A0A087YHA4_POEFO Loading...

Actinin, alpha 1

AlphaFold DB , UniProt , Accession A0A087YHA4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,213 aa.

						>A0A087YHA4_POEFO|A0A087YHA4
MKELKGCGMRCSVGFLSRRELTGQPLMKDEFQRRRLAGCTSLYKKNLEGHFGCVNAIEFSNNGGEYLVSGGDDRRVLLWDIEKAIHSHSKPVKLKGEHLSNIFCLAFDSSNSKVFSGGNDEQVILHDVESQETLNVFLHIDAVYSLSVSPVNDSIFASSSDDGRVLIWDTREPSHGEPFCLASYPSAFHSVMFNPVEPRLLATANSKEGVGLWDIRKPRSSLLRYGGSMSLQSAMSVRFNSTGTQLLALRRRLPPVLYELHSRLPSFQFDNQGYFNSCTMKSCCFAGDKDQYILSGSDDFNLYMWKIPNDPEAGGPGRVVNGAFMVLKGHRSIVNQVRFNPHSYMICSSGVEKVIKTFTAWCNSHLRKAGTQIENIEEDFRDGLKLMLLLEVISGERLAKPERGKMRVHKISNVNKALDFIASKGVKLVSIGAEEIVDGNAKMTLGMIWTIILRFAIQDISVEETSAKEGLLLWCQRKTAPYKNVNIQNFHISWKDGLGFCALIHRHRPELIDYGKLRKDDPMTNLNTAFDVAEKYLDIPKMLDAEDIVGTARPDEKAIMTYVSSFYHAFSGAQKAETAANRICKVLAVNQENEQLMEDYEKLASDLLEWIRRTIPWLENRLPENTMQAMQQKLEDFRDYRRLHKPPKVQEKCQLEINFNTLQTKLRLSNRPAFMPSEGKMVSDINNAWGSLEGAEKGYEEWLLNEIRRLERLDHLAEKFRQKAAIHEAWTEGKEDLLQKRDYETASLSEIKALLKKHEAFESDLAAHQDRVEQIAAIAQELNELDYYDSPSVNARCQRICDQWDALGAMTVKRTEALQRTEKLLETIDQLYLEFAKRAAPFNNWMEGAMEDLQDTFIVHTIEEIQGLSTAHEQFKATLPEADKERQAILGIHNEIAKIVQTYHVNMAGTNPYTTINPQEINAKWDKVRQLVPQRDQALIEEHARQQNNERLRRQFATQANVIGPWIQTKMEEIGRISIEMHGTLEDQLTHLRQYEKSIINYKPKIDQLEGDHQLIQEALIFDNKHTNYTMEHIRVGWEQLLTTIARTINEIENQILTRDAKGISQEQLNEFRASFNHFDRDHSGTLGAEEFKACLISLGFDIANDAQGENEFSRIMSVVDPNRMGTVTFQAFIDFMSRETADTDTADQVMASFKVLAGDKNYILADELRRELPPDQAEYCIARMAPYTGPDGVPGALDYMSFSTALYGESDL
					

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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	31.1	Very low	33.6	Very low	244 Å²	244	163.3 Å²	163.3	100%	1.202	86%	0.859	S	S	*	*				0	130.4	0	-95.4	-174.7	-159.9	0	0	109
2	K	29.9	Very low	34.4	Very low	210 Å²	210	154 Å²	154	91%	0.913	82%	0.818	S	S	*	*			trans	57.9	109.3	176.2	-74.5	-175.4	175	179.5	0	118.1
3	E	30.6	Very low	35.3	Very low	187 Å²	187	144.5 Å²	144.5	87%	0.874	77%	0.769	S	S	*	*			trans	-67.4	128.1	165.3	-74.7	-177.7	145.1	0	0	111.2
4	L	30.3	Very low	35.9	Very low	173 Å²	173	135.5 Å²	135.5	91%	0.906	73%	0.728	S	S	*	*			trans	-95.3	113.4	160	-95.6	148.2	0	0	0	107.7
5	K	33.9	Very low	36.6	Very low	203 Å²	203	134.1 Å²	134.1	88%	0.883	71%	0.713	S	S	*	*			trans	-69.7	129.9	170.5	-79.4	-178.8	174	179.3	0	109.4
6	G	38.3	Very low	37.2	Very low	72 Å²	72	129.4 Å²	129.4	74%	0.742	69%	0.688	S	S	*	*			trans	104.2	78.2	167.3	0	0	0	0	0	114.4
7	C	29.5	Very low	37.6	Very low	130 Å²	130	125.4 Å²	125.4	88%	0.878	67%	0.672	S	S	*	*			trans	-157.2	109.7	149.8	-118.5	0	0	0	0	107.8	M9	C7-M9 PolarHBondContact O-N 3.45Å
8	G	33.7	Very low	38	Very low	70 Å²	70	130.7 Å²	130.7	72%	0.722	68%	0.681	S	S	*	*			trans	-57.9	136.3	173.3	0	0	0	0	0	110	R10	G8-R10 PolarHBondContact O-N 3.42Å
9	M	35.7	Very low	38.3	Very low	200 Å²	200	132.8 Å²	132.8	99%	0.985	68%	0.679	S	S	*	*			trans	-61.4	88.9	165.4	-73.1	-177.7	-162	0	0	108.9	C7	C7-M9 PolarHBondContact O-N 3.45Å
10	R	37.8	Very low	38.8	Very low	244 Å²	244	134.2 Å²	134.2	92%	0.921	68%	0.682	S	S	*	*			trans	-136.9	49.5	169.3	-77.5	-165.8	177.6	-171.5	0.3	110.7	G8	G8-R10 PolarHBondContact O-N 3.42Å
11	C	39.2	Very low	39.4	Very low	63 Å²	63	131 Å²	131	43%	0.426	67%	0.667	S	S	.	*			trans	-174.6	115.2	153.6	-154	0	0	0	0	112	G14	C11-G14 PolarHBondContact SG-N 2.73Å
12	S	43.1	Very low	40.4	Very low	52 Å²	52	125.2 Å²	125.2	36%	0.364	65%	0.645	S	S	.	*	S	Bend	trans	-78.5	-17.1	171.1	14.2	0	0	0	0	113.3	Y43	S12-Y43 WeakPolarHBondContact OG-CD2 3.36Å; S12-Y43 VanDerWaalsContact OG-CG 3.32Å
13	V	45.7	Very low	41.8	Very low	31 Å²	31	117.7 Å²	117.7	19%	0.188	63%	0.627	C	S	.	*	S	Bend	trans	-100.2	-28	-179.8	-171.4	0	0	0	0	112.4	F15 L16 S17 Y43 I85	V13-F15 PolarHBondContact O-N 3.28Å; V13-F15 VanDerWaalsContact O-N 3.16Å; V13-L16 WeakPolarHBondContact O-CA 3.47Å; V13-L16 WeakPolarHBondContact O-CB 3.42Å; V13-L16 PolarHBondContact O-N 3.19Å; V13-S17 PolarHBondContact O-N 3.42Å; V13-S17 PolarHBondContact O-OG 3.43Å; V13-Y43 HydrophobicContact CG2-CD1 3.82Å; V13-Y43 HydrophobicContact CG2-CE1 4.04Å; V13-I85 HydrophobicContact CB-CG2 4.37Å; V13-I85 HydrophobicContact CG1-CG2 4.34Å; V13-I85 HydrophobicContact CG2-CG2 4.45Å
14	G	44	Very low	43.4	Very low	18 Å²	18	115.3 Å²	115.3	19%	0.186	62%	0.616	C	S	.	*	H	α-helix	trans	-60.8	-20.7	165.2	0	0	0	0	0	113.1	C11 R18	C11-G14 PolarHBondContact SG-N 2.73Å; G14-R18 VanDerWaalsContact O-CB 3.31Å; G14-R18 WeakPolarHBondContact O-CB 3.27Å; G14-R18 WeakPolarHBondContact O-CG 3.37Å; G14-R18 PolarHBondContact O-N 3.38Å
15	F	45.6	Very low	45.1	Very low	115 Å²	115	111.4 Å²	111.4	50%	0.504	60%	0.601	S	S	.	*	H	α-helix	trans	-73.1	-26.3	168.9	-178.8	-96.8	0	0	0	113.3	V13	V13-F15 PolarHBondContact O-N 3.28Å; V13-F15 VanDerWaalsContact O-N 3.16Å
16	L	47.3	Very low	46.7	Very low	59 Å²	59	107.7 Å²	107.7	31%	0.309	59%	0.59	S	S	.	*	H	α-helix	trans	-93.7	-41.1	-179.6	-87.7	171.8	0	0	0	113	V13 R35	V13-L16 WeakPolarHBondContact O-CA 3.47Å; V13-L16 WeakPolarHBondContact O-CB 3.42Å; V13-L16 PolarHBondContact O-N 3.19Å; L16-R35 VanDerWaalsContact CG-NH1 3.33Å
17	S	44	Very low	48.1	Very low	60 Å²	60	110.6 Å²	110.6	42%	0.42	59%	0.586	S	S	.	*	H	α-helix	trans	-77.1	-28.9	-179.4	59.3	0	0	0	0	113.4	V13	V13-S17 PolarHBondContact O-N 3.42Å; V13-S17 PolarHBondContact O-OG 3.43Å
18	R	44.3	Very low	49.9	Very low	221 Å²	221	107.8 Å²	107.8	83%	0.834	56%	0.559	S	S	*	*	S	Bend	trans	-92.7	-0.8	178.4	-57.8	-174.9	-174.2	-166.6	1.2	114.4	G14	G14-R18 VanDerWaalsContact O-CB 3.31Å; G14-R18 WeakPolarHBondContact O-CB 3.27Å; G14-R18 WeakPolarHBondContact O-CG 3.37Å; G14-R18 PolarHBondContact O-N 3.38Å
19	R	44.5	Very low	51.7	Low	172 Å²	172	107.6 Å²	107.6	65%	0.649	54%	0.541	S	S	*	.			trans	-121.4	84.9	165.1	-78.5	-174	169.8	-172.5	-2	107.3	L21	R19-L21 PolarHBondContact O-N 3.25Å
20	E	47.4	Very low	53.6	Low	159 Å²	159	101.7 Å²	101.7	74%	0.743	51%	0.512	S	S	*	.			trans	-47.4	116.2	145.4	-73.6	-175.1	166.7	0	0	105.9	T22	E20-T22 HydrophobicContact CB-CG2 4.1Å; E20-T22 PolarHBondContact O-N 3.36Å
21	L	52.3	Low	55.4	Low	68 Å²	68	94.8 Å²	94.8	36%	0.356	49%	0.488	S	S	.	.			trans	-61	96.3	166.3	-84	155.7	0	0	0	104.8	R19 K28 F31	R19-L21 PolarHBondContact O-N 3.25Å; L21-K28 HydrophobicContact CB-CB 4.36Å; L21-K28 HydrophobicContact CB-CD 3.9Å; L21-K28 HydrophobicContact CB-CG 3.85Å; L21-K28 HydrophobicContact CD1-CB 4.35Å; L21-K28 WeakPolarHBondContact O-CD 3.41Å; L21-K28 WeakPolarHBondContact O-CE 3.45Å; L21-K28 PolarHBondContact O-NZ 3.35Å; L21-F31 HydrophobicContact CD1-CD1 3.76Å; L21-F31 HydrophobicContact CD1-CE1 4.31Å; L21-F31 HydrophobicContact CD2-CD1 4.34Å
22	T	50.7	Low	57	Low	122 Å²	122	93.2 Å²	93.2	75%	0.748	48%	0.475	S	S	*	.			trans	-84.1	117.7	176.6	53	0	0	0	0	107.7	E20	E20-T22 HydrophobicContact CB-CG2 4.1Å; E20-T22 PolarHBondContact O-N 3.36Å
23	G	60.4	Low	58.6	Low	52 Å²	52	94.3 Å²	94.3	54%	0.536	47%	0.471	S	S	.	.	S	Bend	trans	161.5	179.6	-172	0	0	0	0	0	111.6	K28	G23-K28 WeakPolarHBondContact O-CE 3.2Å
24	Q	62.9	Low	60.1	Low	137 Å²	137	101 Å²	101	64%	0.64	49%	0.493	S	S	*	.			trans	-59.6	132.6	179	-71.3	-176.2	-3.6	0	0	110.8	L26 M27 K28	Q24-L26 PolarHBondContact O-N 3.46Å; Q24-L26 VanDerWaalsContact O-N 3.15Å; Q24-M27 PolarHBondContact O-N 2.82Å; Q24-K28 PolarHBondContact O-N 2.93Å
25	P	65.9	Low	61.6	Low	91 Å²	91	104.8 Å²	104.8	59%	0.591	50%	0.501	S	S	*	.	H	α-helix	trans	-49.8	-42.8	-177.3	-28.7	34.1	0	0	0	113.8	M27 K28 D29	P25-M27 VanDerWaalsContact C-N 3.28Å; P25-M27 PolarHBondContact O-N 2.94Å; P25-K28 WeakPolarHBondContact O-CB 3.47Å; P25-K28 PolarHBondContact O-N 3.14Å; P25-D29 PolarHBondContact O-N 2.91Å; P25-D29 VanDerWaalsContact O-N 3.12Å
26	L	67.2	Low	63.2	Low	125 Å²	125	99.9 Å²	99.9	65%	0.654	48%	0.481	S	S	*	.	H	α-helix	trans	-55.6	-38.2	178.8	-72.6	162.8	0	0	0	113.7	Q24 E30	Q24-L26 PolarHBondContact O-N 3.46Å; Q24-L26 VanDerWaalsContact O-N 3.15Å; L26-E30 WeakPolarHBondContact O-CB 3.39Å; L26-E30 PolarHBondContact O-N 3.22Å; L26-E30 VanDerWaalsContact O-N 3.1Å
27	M	68.1	Low	64.5	Low	133 Å²	133	99.5 Å²	99.5	66%	0.655	49%	0.486	S	S	*	.	H	α-helix	trans	-73.6	-29.7	178.1	-73.9	-113.4	-170.8	0	0	112	Q24 P25 F31	Q24-M27 PolarHBondContact O-N 2.82Å; P25-M27 VanDerWaalsContact C-N 3.28Å; P25-M27 PolarHBondContact O-N 2.94Å; M27-F31 WeakPolarHBondContact O-CB 3.35Å; M27-F31 PolarHBondContact O-N 3.46Å
28	K	68.4	Low	65.8	Low	72 Å²	72	99.6 Å²	99.6	31%	0.313	50%	0.497	S	S	.	.	H	α-helix	trans	-68.1	-47.8	176.5	-50	-172	-161.7	-165.1	0	110.3	L21 G23 Q24 P25 E30 F31 Q32	L21-K28 HydrophobicContact CB-CB 4.36Å; L21-K28 HydrophobicContact CB-CD 3.9Å; L21-K28 HydrophobicContact CB-CG 3.85Å; L21-K28 HydrophobicContact CD1-CB 4.35Å; L21-K28 WeakPolarHBondContact O-CD 3.41Å; L21-K28 WeakPolarHBondContact O-CE 3.45Å; L21-K28 PolarHBondContact O-NZ 3.35Å; G23-K28 WeakPolarHBondContact O-CE 3.2Å; Q24-K28 PolarHBondContact O-N 2.93Å; P25-K28 WeakPolarHBondContact O-CB 3.47Å; P25-K28 PolarHBondContact O-N 3.14Å; K28-E30 VanDerWaalsContact C-N 3.34Å; K28-E30 PolarHBondContact O-N 3.4Å; K28-F31 PolarHBondContact O-N 3.36Å; K28-Q32 WeakPolarHBondContact O-CG 3.22Å; K28-Q32 PolarHBondContact O-N 2.95Å
29	D	70.8	Confident	67.1	Low	65 Å²	65	90.6 Å²	90.6	35%	0.348	47%	0.467	S	S	.	.	H	α-helix	trans	-65.7	-39.4	-179.9	-57.9	-21.6	0	0	0	110.9	P25 Q32 R33	P25-D29 PolarHBondContact O-N 2.91Å; P25-D29 VanDerWaalsContact O-N 3.12Å; D29-Q32 PolarHBondContact O-N 3.19Å; D29-R33 WeakPolarHBondContact O-CB 3.37Å; D29-R33 WeakPolarHBondContact O-CG 3.31Å; D29-R33 PolarHBondContact O-N 3.23Å
30	E	74.9	Confident	68	Low	77 Å²	77	89.1 Å²	89.1	36%	0.36	48%	0.477	S	S	.	.	H	α-helix	trans	-64.6	-41.9	174.5	-170	-178.9	166.1	0	0	112.2	L26 K28 R33 R34	L26-E30 WeakPolarHBondContact O-CB 3.39Å; L26-E30 PolarHBondContact O-N 3.22Å; L26-E30 VanDerWaalsContact O-N 3.1Å; K28-E30 VanDerWaalsContact C-N 3.34Å; K28-E30 PolarHBondContact O-N 3.4Å; E30-R33 PolarHBondContact O-N 3.09Å; E30-R34 WeakPolarHBondContact O-CG 2.85Å; E30-R34 PolarHBondContact O-N 3.2Å; E30-R34 IonicContact OE1-CZ 3.92Å; E30-R34 IonicContact OE1-NE 3.26Å; E30-R34 PolarHBondContact OE1-NE 2.78Å; E30-R34 IonicContact OE1-NH2 3.18Å; E30-R34 PolarHBondContact OE1-NH2 2.85Å
31	F	75.5	Confident	68.6	Low	99 Å²	99	86.2 Å²	86.2	43%	0.434	47%	0.474	S	S	.	.	H	α-helix	trans	-62.4	-45.4	176.2	177.4	-97.8	0	0	0	111.8	L21 M27 K28 R34 R35	L21-F31 HydrophobicContact CD1-CD1 3.76Å; L21-F31 HydrophobicContact CD1-CE1 4.31Å; L21-F31 HydrophobicContact CD2-CD1 4.34Å; M27-F31 WeakPolarHBondContact O-CB 3.35Å; M27-F31 PolarHBondContact O-N 3.46Å; K28-F31 PolarHBondContact O-N 3.36Å; F31-R34 PolarHBondContact O-N 3.24Å; F31-R35 WeakPolarHBondContact O-CB 2.95Å; F31-R35 PolarHBondContact O-N 3.33Å
32	Q	73.6	Confident	69.5	Low	30 Å²	30	86.3 Å²	86.3	14%	0.14	48%	0.475	C	S	.	.	H	α-helix	trans	-64.5	-39.8	177.1	-67.2	-70.8	19.3	0	0	111.8	K28 D29 R34 R35 L36 Y344	K28-Q32 WeakPolarHBondContact O-CG 3.22Å; K28-Q32 PolarHBondContact O-N 2.95Å; D29-Q32 PolarHBondContact O-N 3.19Å; Q32-R34 PolarHBondContact O-N 3.28Å; Q32-R35 PolarHBondContact O-N 3.02Å; Q32-L36 PolarHBondContact O-N 2.8Å; Q32-Y344 HydrophobicContact CB-CD1 4.49Å; Q32-Y344 HydrophobicContact CB-CD2 4.09Å; Q32-Y344 HydrophobicContact CB-CE1 3.97Å; Q32-Y344 HydrophobicContact CB-CE2 3.5Å; Q32-Y344 VanDerWaalsContact CB-CE2 3.5Å; Q32-Y344 VanDerWaalsContact CB-CZ 3.41Å; Q32-Y344 HydrophobicContact CG-CD2 4.14Å; Q32-Y344 HydrophobicContact CG-CE2 3.72Å
33	R	77.5	Confident	70.6	Confident	74 Å²	74	86.6 Å²	86.6	28%	0.279	46%	0.463	S	S	.	.	H	α-helix	trans	-57.9	-47.3	172	-82.5	-174.5	-101.6	148.2	-0.9	112.4	D29 E30 R35 L36 A37 D288	D29-R33 WeakPolarHBondContact O-CB 3.37Å; D29-R33 WeakPolarHBondContact O-CG 3.31Å; D29-R33 PolarHBondContact O-N 3.23Å; E30-R33 PolarHBondContact O-N 3.09Å; R33-R35 VanDerWaalsContact C-N 3.32Å; R33-R35 PolarHBondContact O-N 3.29Å; R33-L36 PolarHBondContact O-N 2.89Å; R33-A37 WeakPolarHBondContact O-CB 3.09Å; R33-A37 PolarHBondContact O-N 3.38Å; R33-D288 VanDerWaalsContact CD-OD1 3.27Å; R33-D288 WeakPolarHBondContact CD-OD1 3.46Å; R33-D288 WeakPolarHBondContact CD-OD2 3.46Å; R33-D288 WeakPolarHBondContact CG-OD1 3.12Å; R33-D288 IonicContact CZ-OD2 2.76Å; R33-D288 IonicContact NE-OD1 2.83Å; R33-D288 IonicContact NE-OD2 3.45Å; R33-D288 PolarHBondContact NE-OD2 2.97Å; R33-D288 IonicContact NH2-OD2 3.38Å
34	R	76.9	Confident	71.4	Confident	171 Å²	171	88.9 Å²	88.9	65%	0.645	46%	0.458	S	S	*	.	H	α-helix	trans	-64.6	-37.7	177.3	-71.6	-176.5	-173.4	-150.2	4.9	111.9	E30 F31 Q32 A37 G38	E30-R34 WeakPolarHBondContact O-CG 2.85Å; E30-R34 PolarHBondContact O-N 3.2Å; E30-R34 IonicContact OE1-CZ 3.92Å; E30-R34 IonicContact OE1-NE 3.26Å; E30-R34 PolarHBondContact OE1-NE 2.78Å; E30-R34 IonicContact OE1-NH2 3.18Å; E30-R34 PolarHBondContact OE1-NH2 2.85Å; F31-R34 PolarHBondContact O-N 3.24Å; Q32-R34 PolarHBondContact O-N 3.28Å; R34-A37 PolarHBondContact O-N 2.93Å; R34-G38 PolarHBondContact O-N 2.81Å
35	R	75.7	Confident	72.2	Confident	98 Å²	98	86.1 Å²	86.1	37%	0.37	44%	0.444	S	S	.	.	H	α-helix	trans	-64.2	-48.7	177	-177.6	-178.4	172.3	167.7	-3.5	111.8	L16 F31 Q32 R33 A37 G38 C39	L16-R35 VanDerWaalsContact CG-NH1 3.33Å; F31-R35 WeakPolarHBondContact O-CB 2.95Å; F31-R35 PolarHBondContact O-N 3.33Å; Q32-R35 PolarHBondContact O-N 3.02Å; R33-R35 VanDerWaalsContact C-N 3.32Å; R33-R35 PolarHBondContact O-N 3.29Å; R35-A37 VanDerWaalsContact C-N 3.31Å; R35-A37 PolarHBondContact O-N 3.32Å; R35-G38 PolarHBondContact O-N 3.24Å; R35-C39 VanDerWaalsContact O-CB 3.29Å; R35-C39 WeakPolarHBondContact O-CB 3.48Å; R35-C39 PolarHBondContact O-N 3.12Å; R35-C39 VanDerWaalsContact O-N 3.15Å
36	L	78	Confident	72.9	Confident	13 Å²	13	84.8 Å²	84.8	7%	0.068	43%	0.432	C	S	.	.	H	α-helix	trans	-64.8	-38.4	177.1	-171	65.7	0	0	0	111.1	Q32 R33 G38 Y292 Y344	Q32-L36 PolarHBondContact O-N 2.8Å; R33-L36 PolarHBondContact O-N 2.89Å; L36-G38 PolarHBondContact O-N 3.05Å; L36-Y292 HydrophobicContact CD2-CD2 3.99Å; L36-Y292 HydrophobicContact CD2-CE2 3.8Å; L36-Y292 HydrophobicContact CG-CE2 4.46Å; L36-Y344 HydrophobicContact CD2-CD1 4.3Å
37	A	75.8	Confident	73.6	Confident	50 Å²	50	81.9 Å²	81.9	41%	0.413	42%	0.417	S	S	.	.	H	α-helix	trans	-67.5	-32	179	0	0	0	0	0	114.3	R33 R34 R35	R33-A37 WeakPolarHBondContact O-CB 3.09Å; R33-A37 PolarHBondContact O-N 3.38Å; R34-A37 PolarHBondContact O-N 2.93Å; R35-A37 VanDerWaalsContact C-N 3.31Å; R35-A37 PolarHBondContact O-N 3.32Å
38	G	70.4	Confident	74.2	Confident	63 Å²	63	83 Å²	83	65%	0.649	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	1.2	-179.8	0	0	0	0	0	114.8	R34 R35 L36	R34-G38 PolarHBondContact O-N 2.81Å; R35-G38 PolarHBondContact O-N 3.24Å; L36-G38 PolarHBondContact O-N 3.05Å
39	C	71.6	Confident	74.7	Confident	31 Å²	31	80.9 Å²	80.9	21%	0.209	42%	0.419	C	S	.	.			trans	-76.5	133.5	-176.6	179.5	0	0	0	0	111.3	R35 S41 L42 M325	R35-C39 VanDerWaalsContact O-CB 3.29Å; R35-C39 WeakPolarHBondContact O-CB 3.48Å; R35-C39 PolarHBondContact O-N 3.12Å; R35-C39 VanDerWaalsContact O-N 3.15Å; C39-S41 PolarHBondContact SG-O 3.25Å; C39-L42 VanDerWaalsContact SG-CD2 3.51Å; C39-M325 HydrophobicContact CB-CE 4.12Å; C39-M325 WeakPolarHBondContact O-CE 3.12Å
40	T	63.2	Low	75.2	Confident	141 Å²	141	79.3 Å²	79.3	87%	0.865	41%	0.41	S	S	*	.	S	Bend	trans	-110.8	-10.9	174.8	53.6	0	0	0	0	113.3
41	S	61.5	Low	75.2	Confident	98 Å²	98	79.5 Å²	79.5	69%	0.685	41%	0.409	S	S	*	.			trans	-159.2	136.9	177.8	-176.8	0	0	0	0	110.8	C39	C39-S41 PolarHBondContact SG-O 3.25Å
42	L	71.4	Confident	75.1	Confident	70 Å²	70	75.2 Å²	75.2	37%	0.366	39%	0.393	S	S	.	.			trans	-100.5	145.2	178	-65.3	178	0	0	0	111.2	C39 K44 L327 I346	C39-L42 VanDerWaalsContact SG-CD2 3.51Å; L42-K44 PolarHBondContact O-N 3.37Å; L42-L327 HydrophobicContact CB-CD2 4.29Å; L42-L327 HydrophobicContact CD1-CD1 3.77Å; L42-L327 HydrophobicContact CD1-CD2 3.5Å; L42-L327 HydrophobicContact CD1-CG 4.29Å; L42-L327 HydrophobicContact CG-CD2 3.83Å; L42-I346 HydrophobicContact CD1-CD1 3.86Å
43	Y	73.2	Confident	75.6	Confident	128 Å²	128	74.9 Å²	74.9	50%	0.502	39%	0.394	S	S	.	.			trans	-65.8	130.8	168.4	174.2	-99.3	0	0	0	109.9	S12 V13 K45	S12-Y43 WeakPolarHBondContact OG-CD2 3.36Å; S12-Y43 VanDerWaalsContact OG-CG 3.32Å; V13-Y43 HydrophobicContact CG2-CD1 3.82Å; V13-Y43 HydrophobicContact CG2-CE1 4.04Å; Y43-K45 HydrophobicContact CE1-CB 4.27Å
44	K	76.4	Confident	76.2	Confident	100 Å²	100	72.4 Å²	72.4	44%	0.435	39%	0.387	S	S	.	.			trans	-113.7	136.9	-178.2	-175.3	-170.9	176.3	-150.4	0	110.6	L42 N46 G329	L42-K44 PolarHBondContact O-N 3.37Å; K44-N46 WeakPolarHBondContact CE-OD1 3.39Å; K44-N46 PolarHBondContact NZ-OD1 3.21Å; K44-G329 WeakPolarHBondContact CE-O 3.42Å; K44-G329 PolarHBondContact NZ-O 2.82Å
45	K	79.4	Confident	76.7	Confident	80 Å²	80	65.3 Å²	65.3	35%	0.348	36%	0.362	S	S	.	.			trans	-130.4	135.8	165.3	-169.6	-179.6	-175.4	178.5	0	109.3	Y43 A84 I85 S87	Y43-K45 HydrophobicContact CE1-CB 4.27Å; K45-A84 WeakPolarHBondContact CE-O 3.14Å; K45-A84 PolarHBondContact NZ-O 3.01Å; K45-I85 WeakPolarHBondContact CD-O 3.45Å; K45-I85 PolarHBondContact NZ-O 3.29Å; K45-S87 PolarHBondContact NZ-O 2.72Å
46	N	81.3	Confident	77.5	Confident	63 Å²	63	60.7 Å²	60.7	34%	0.337	34%	0.344	S	S	.	.			trans	-85.1	137.8	171.2	-62.6	-20.6	0	0	0	109.3	K44	K44-N46 WeakPolarHBondContact CE-OD1 3.39Å; K44-N46 PolarHBondContact NZ-OD1 3.21Å
47	L	83.1	Confident	78.3	Confident	64 Å²	64	60.2 Å²	60.2	34%	0.335	34%	0.342	S	S	.	.			trans	-106.3	117.1	170	-60.7	-174.5	0	0	0	108.2	L67 W79 A84	L47-L67 HydrophobicContact CD1-CD2 4.25Å; L47-W79 HydrophobicContact CB-CE3 4.32Å; L47-W79 HydrophobicContact CB-CH2 4.19Å; L47-W79 HydrophobicContact CB-CZ3 3.99Å; L47-W79 HydrophobicContact CD1-CD2 4.37Å; L47-W79 HydrophobicContact CD1-CE3 4.21Å; L47-A84 HydrophobicContact CD2-CB 3.92Å
48	E	80.8	Confident	79.2	Confident	156 Å²	156	59.3 Å²	59.3	73%	0.729	33%	0.329	S	S	*	.			trans	-107.3	127.7	-174.6	-66	173.6	-168.1	0	0	109.5
49	G	77.5	Confident	80.2	Confident	27 Å²	27	57 Å²	57	28%	0.278	30%	0.301	S	S	.	.			trans	-179.9	-31.4	-179.1	0	0	0	0	0	115.1	R75	G49-R75 PolarHBondContact O-NH2 2.94Å
50	H	81.7	Confident	81.1	Confident	33 Å²	33	55.9 Å²	55.9	15%	0.153	29%	0.294	C	S	.	.			trans	-82.1	147.5	174.2	-76.1	-77.9	0	0	0	112.5	V54 S69 D73 R75	H50-V54 HydrophobicContact CB-CG2 3.66Å; H50-V54 VanDerWaalsContact CD2-CG2 3.44Å; H50-V54 WeakPolarHBondContact CD2-CG2 3.48Å; H50-S69 PolarHBondContact CD2-OG 3.36Å; H50-S69 WeakPolarHBondContact NE2-CB 3.42Å; H50-S69 PolarHBondContact NE2-OG 3.19Å; H50-D73 VanDerWaalsContact CA-OD2 3.24Å; H50-D73 WeakPolarHBondContact CA-OD2 2.93Å; H50-D73 IonicContact CE1-OD1 3.41Å; H50-D73 IonicContact CG-OD1 3.28Å; H50-D73 IonicContact CG-OD2 2.73Å; H50-D73 VanDerWaalsContact ND1-CG 3.27Å; H50-D73 IonicContact ND1-OD1 2.74Å; H50-D73 PolarHBondContact ND1-OD1 3.32Å; H50-D73 IonicContact ND1-OD2 2.82Å; H50-D73 PolarHBondContact ND1-OD2 2.97Å; H50-R75 PolarHBondContact CE1-O 3.48Å
51	F	75.1	Confident	82.1	Confident	81 Å²	81	52.3 Å²	52.3	36%	0.355	27%	0.269	S	S	.	.	S	Bend	trans	-97.9	17.2	177.4	-55	-47.6	0	0	0	112.7	D73 K353	F51-D73 HydrophobicContact CB-CB 4.11Å; F51-D73 PolarHBondContact N-OD2 3.39Å; F51-K353 WeakPolarHBondContact O-CE 3.27Å; F51-K353 PolarHBondContact O-NZ 3.42Å
52	G	73.7	Confident	82.6	Confident	9 Å²	9	53.8 Å²	53.8	9%	0.093	27%	0.269	C	S	.	.	S	Bend	trans	-166.9	-172.9	-174.1	0	0	0	0	0	113.4	V54	G52-V54 PolarHBondContact O-N 3.46Å
53	C	83.3	Confident	82.4	Confident	22 Å²	22	51.6 Å²	51.6	15%	0.149	26%	0.263	C	S	.	.			trans	-58.1	128.3	178.2	-45.8	0	0	0	0	109.3	G71 D72 V351	C53-G71 CarbonylContact O-C 3.57Å; C53-G71 WeakPolarHBondContact O-CA 3.42Å; C53-D72 VanDerWaalsContact CB-OD2 3.28Å; C53-D72 WeakPolarHBondContact CB-OD2 3.43Å; C53-D72 PolarHBondContact O-N 3.33Å; C53-D72 PolarHBondContact SG-OD2 3.27Å; C53-V351 HydrophobicContact CB-CB 4.43Å; C53-V351 HydrophobicContact CB-CG1 4.41Å; C53-V351 HydrophobicContact CB-CG2 3.55Å; C53-V351 WeakPolarHBondContact SG-CG1 3.45Å; C53-V351 WeakPolarHBondContact SG-CG2 3.45Å
54	V	89.8	Confident	82.6	Confident	22 Å²	22	45.6 Å²	45.6	13%	0.133	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	109.3	171.9	-175.2	0	0	0	0	107.7	H50 G52 I57 S349 G350	H50-V54 HydrophobicContact CB-CG2 3.66Å; H50-V54 VanDerWaalsContact CD2-CG2 3.44Å; H50-V54 WeakPolarHBondContact CD2-CG2 3.48Å; G52-V54 PolarHBondContact O-N 3.46Å; V54-I57 HydrophobicContact CG1-CG2 3.98Å; V54-S349 WeakPolarHBondContact O-CB 3.3Å; V54-S349 PolarHBondContact O-OG 3.37Å; V54-G350 PolarHBondContact N-O 2.74Å
55	N	89.1	Confident	82.9	Confident	23 Å²	23	47.1 Å²	47.1	12%	0.123	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	-23.1	-175	-50.4	-55.4	0	0	0	112.7	G70 D72 I102 F103 N335 Q336	N55-G70 PolarHBondContact N-O 3.36Å; N55-D72 PolarHBondContact ND2-OD1 3.2Å; N55-I102 WeakPolarHBondContact CB-O 3.44Å; N55-F103 HydrophobicContact CB-CD1 4.04Å; N55-N335 PolarHBondContact OD1-ND2 3.2Å; N55-Q336 PolarHBondContact O-OE1 3.14Å
56	A	92.2	Very high	83.4	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	134.6	-177.4	0	0	0	0	0	111.8	S69 G70 I102 L105	A56-S69 WeakPolarHBondContact O-CA 3.48Å; A56-G70 PolarHBondContact N-O 3.24Å; A56-G70 PolarHBondContact O-N 3.08Å; A56-I102 HydrophobicContact CB-CG2 4.3Å; A56-L105 HydrophobicContact CB-CB 4.5Å; A56-L105 HydrophobicContact CB-CD1 3.58Å; A56-L105 HydrophobicContact CB-CG 3.78Å; A56-L105 WeakPolarHBondContact O-CD1 3.41Å
57	I	94.5	Very high	83.9	Confident	4 Å²	4	44.3 Å²	44.3	2%	0.021	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	137.3	171.3	54.7	169.4	0	0	0	110.9	V54 L67 V68 Q336 R338 C347	V54-I57 HydrophobicContact CG1-CG2 3.98Å; I57-L67 HydrophobicContact CB-CD1 4.41Å; I57-V68 WeakPolarHBondContact CA-O 3.34Å; I57-Q336 HydrophobicContact CD1-CB 4.42Å; I57-Q336 HydrophobicContact CD1-CG 4.35Å; I57-Q336 HydrophobicContact CG1-CB 3.88Å; I57-Q336 HydrophobicContact CG1-CG 3.58Å; I57-Q336 PolarHBondContact O-NE2 3.19Å; I57-R338 HydrophobicContact CD1-CB 4.45Å; I57-R338 HydrophobicContact CD1-CG 4.35Å; I57-R338 HydrophobicContact CG1-CG 4.11Å; I57-R338 WeakPolarHBondContact O-CG 3.33Å; I57-C347 HydrophobicContact CD1-CB 4.03Å; I57-C347 WeakPolarHBondContact CD1-O 3.35Å
58	E	93.6	Very high	84.4	Confident	30 Å²	30	41.3 Å²	41.3	14%	0.14	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	139.3	174.1	-157.1	70.5	-142.9	0	0	110.6	V68 L105 R238 R338	E58-V68 HydrophobicContact CB-CG1 4.14Å; E58-V68 PolarHBondContact N-O 3.39Å; E58-V68 PolarHBondContact O-N 2.69Å; E58-L105 HydrophobicContact CB-CB 4.14Å; E58-R238 IonicContact OE1-CZ 3.59Å; E58-R238 IonicContact OE1-NH1 3.53Å; E58-R238 IonicContact OE1-NH2 3.45Å; E58-R238 PolarHBondContact OE1-NH2 2.86Å; E58-R238 IonicContact OE2-NH1 3.63Å; E58-R238 IonicContact OE2-NH2 2.96Å; E58-R338 VanDerWaalsContact CD-NE 3.31Å; E58-R338 IonicContact OE1-NE 2.69Å; E58-R338 PolarHBondContact OE1-NE 3.3Å; E58-R338 IonicContact OE2-CZ 3.57Å; E58-R338 IonicContact OE2-NE 3.56Å; E58-R338 PolarHBondContact OE2-NE 3.39Å; E58-R338 IonicContact OE2-NH2 3.89Å; E58-R338 PolarHBondContact OE2-NH2 3.41Å
59	F	92.6	Very high	85.1	Confident	16 Å²	16	34.1 Å²	34.1	7%	0.07	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	150.2	172.3	-77.9	-71.9	0	0	0	110.2	L67 I81 F107 R338 N340 M345 C347	F59-L67 HydrophobicContact CD1-CB 4.26Å; F59-L67 HydrophobicContact CD1-CD1 3.92Å; F59-L67 HydrophobicContact CD2-CD1 4.47Å; F59-L67 HydrophobicContact CE1-CB 4.33Å; F59-L67 HydrophobicContact CE1-CD1 3.94Å; F59-L67 HydrophobicContact CE2-CD1 4.49Å; F59-L67 HydrophobicContact CG-CD1 4.2Å; F59-L67 HydrophobicContact CZ-CD1 4.23Å; F59-I81 HydrophobicContact CE1-CD1 4.27Å; F59-I81 HydrophobicContact CE1-CG1 4.4Å; F59-F107 WeakPolarHBondContact O-CD2 3.12Å; F59-R338 HydrophobicContact CD2-CB 3.85Å; F59-R338 HydrophobicContact CE2-CB 3.95Å; F59-N340 HydrophobicContact CD1-CB 4.29Å; F59-N340 HydrophobicContact CD2-CB 3.92Å; F59-N340 HydrophobicContact CE1-CB 4.28Å; F59-N340 HydrophobicContact CE2-CB 3.9Å; F59-N340 HydrophobicContact CG-CB 4.12Å; F59-N340 HydrophobicContact CZ-CB 4.08Å; F59-M345 HydrophobicContact CZ-CB 4.37Å; F59-C347 HydrophobicContact CE2-CB 3.85Å; F59-C347 HydrophobicContact CZ-CB 3.71Å
60	S	90.8	Very high	85.8	Confident	7 Å²	7	32.8 Å²	32.8	5%	0.049	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-66.4	153.4	168.2	73.7	0	0	0	0	111.2	G64 E65 Y66 N111	S60-G64 VanDerWaalsContact O-CA 3.23Å; S60-G64 WeakPolarHBondContact O-CA 3Å; S60-G64 PolarHBondContact O-N 2.91Å; S60-G64 WeakPolarHBondContact OG-CA 3.19Å; S60-E65 PolarHBondContact OG-N 3.38Å; S60-Y66 PolarHBondContact N-O 2.61Å; S60-Y66 PolarHBondContact OG-N 3.17Å; S60-Y66 PolarHBondContact OG-O 3.36Å; S60-N111 WeakPolarHBondContact CB-OD1 3.5Å
61	N	84.6	Confident	86.1	Confident	66 Å²	66	31.2 Å²	31.2	35%	0.353	16%	0.163	S	C	.	.	S	Bend	trans	-67.8	168.1	176	-63	-49.6	0	0	0	111.2	G63 D108 N111	N61-G63 PolarHBondContact O-N 2.72Å; N61-D108 PolarHBondContact ND2-O 2.65Å; N61-N111 WeakPolarHBondContact CB-OD1 2.94Å; N61-N111 PolarHBondContact N-OD1 3.42Å; N61-N111 PolarHBondContact O-ND2 2.91Å
62	N	70.9	Confident	86.6	Confident	129 Å²	129	28.2 Å²	28.2	69%	0.69	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.6	45.9	168.9	-58.7	-33.9	0	0	0	116.2
63	G	67.9	Low	87	Confident	23 Å²	23	28.3 Å²	28.3	24%	0.237	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	130.8	-24.9	174.7	0	0	0	0	0	113.8	N61 E65 N340	N61-G63 PolarHBondContact O-N 2.72Å; G63-E65 VanDerWaalsContact C-N 3.31Å; G63-E65 PolarHBondContact O-N 3.42Å; G63-N340 PolarHBondContact O-ND2 2.99Å
64	G	76.4	Confident	87.3	Confident	3 Å²	3	30.4 Å²	30.4	3%	0.031	15%	0.154	C	C	.	.			trans	61	39.7	179.5	0	0	0	0	0	113.2	S60 Y66 N340	S60-G64 VanDerWaalsContact O-CA 3.23Å; S60-G64 WeakPolarHBondContact O-CA 3Å; S60-G64 PolarHBondContact O-N 2.91Å; S60-G64 WeakPolarHBondContact OG-CA 3.19Å; G64-Y66 PolarHBondContact O-N 3.43Å; G64-N340 WeakPolarHBondContact CA-ND2 3.38Å
65	E	82.6	Confident	87.3	Confident	132 Å²	132	31 Å²	31	62%	0.617	15%	0.154	S	C	*	.			trans	-58.3	-35.1	173.8	-61.9	-178.3	161.8	0	0	111.4	S60 G63 I81	S60-E65 PolarHBondContact OG-N 3.38Å; G63-E65 VanDerWaalsContact C-N 3.31Å; G63-E65 PolarHBondContact O-N 3.42Å; E65-I81 WeakPolarHBondContact O-CB 3.44Å; E65-I81 PolarHBondContact O-N 2.98Å
66	Y	89.3	Confident	87.6	Confident	80 Å²	80	29.9 Å²	29.9	31%	0.314	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	148.4	175.2	-58.5	-75.9	0	0	0	111.8	S60 G64 L78 W79 D80	S60-Y66 PolarHBondContact N-O 2.61Å; S60-Y66 PolarHBondContact OG-N 3.17Å; S60-Y66 PolarHBondContact OG-O 3.36Å; G64-Y66 PolarHBondContact O-N 3.43Å; Y66-L78 HydrophobicContact CD1-CD1 4.27Å; Y66-L78 HydrophobicContact CD1-CD2 4.35Å; Y66-L78 HydrophobicContact CD1-CG 4.2Å; Y66-L78 HydrophobicContact CG-CD1 4.26Å; Y66-W79 CarbonylContact C-O 3.58Å; Y66-W79 VanDerWaalsContact CA-O 3.27Å; Y66-W79 WeakPolarHBondContact CA-O 3.49Å; Y66-D80 HydrophobicContact CD1-CB 4.46Å; Y66-D80 HydrophobicContact CE1-CB 4.29Å
67	L	92.4	Very high	87.7	Confident	4 Å²	4	30.1 Å²	30.1	2%	0.021	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	136.8	163.8	172.9	81	0	0	0	107.4	L47 I57 F59 W79 I81 C347	L47-L67 HydrophobicContact CD1-CD2 4.25Å; I57-L67 HydrophobicContact CB-CD1 4.41Å; F59-L67 HydrophobicContact CD1-CB 4.26Å; F59-L67 HydrophobicContact CD1-CD1 3.92Å; F59-L67 HydrophobicContact CD2-CD1 4.47Å; F59-L67 HydrophobicContact CE1-CB 4.33Å; F59-L67 HydrophobicContact CE1-CD1 3.94Å; F59-L67 HydrophobicContact CE2-CD1 4.49Å; F59-L67 HydrophobicContact CG-CD1 4.2Å; F59-L67 HydrophobicContact CZ-CD1 4.23Å; L67-W79 HydrophobicContact CB-CB 4.21Å; L67-W79 PolarHBondContact N-O 3.13Å; L67-W79 WeakPolarHBondContact O-CB 3.2Å; L67-W79 VanDerWaalsContact O-CD1 3.26Å; L67-W79 PolarHBondContact O-N 3.29Å; L67-I81 HydrophobicContact CB-CD1 3.57Å; L67-I81 HydrophobicContact CB-CG1 3.87Å; L67-I81 HydrophobicContact CD2-CD1 4.08Å; L67-I81 HydrophobicContact CG-CD1 4.44Å; L67-C347 HydrophobicContact CD1-CB 4.4Å
68	V	94.9	Very high	87.7	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	139.5	170.2	69.5	0	0	0	0	109.9	I57 E58 V76 L77 L78 L105 F107 V114	I57-V68 WeakPolarHBondContact CA-O 3.34Å; E58-V68 HydrophobicContact CB-CG1 4.14Å; E58-V68 PolarHBondContact N-O 3.39Å; E58-V68 PolarHBondContact O-N 2.69Å; V68-V76 HydrophobicContact CG2-CG1 3.41Å; V68-V76 VanDerWaalsContact CG2-CG1 3.41Å; V68-L77 WeakPolarHBondContact CA-O 3.05Å; V68-L78 HydrophobicContact CB-CD1 4.47Å; V68-L105 HydrophobicContact CG1-CB 3.94Å; V68-L105 HydrophobicContact CG1-CD1 3.99Å; V68-L105 HydrophobicContact CG1-CD2 4.36Å; V68-L105 HydrophobicContact CG1-CG 4.31Å; V68-L105 HydrophobicContact CG2-CD1 4.32Å; V68-L105 HydrophobicContact CG2-CD2 4.21Å; V68-F107 HydrophobicContact CB-CE2 3.9Å; V68-F107 HydrophobicContact CB-CZ 3.91Å; V68-F107 HydrophobicContact CG1-CD2 4.15Å; V68-F107 HydrophobicContact CG1-CE2 3.44Å; V68-F107 VanDerWaalsContact CG1-CE2 3.44Å; V68-F107 HydrophobicContact CG1-CZ 3.93Å; V68-V114 HydrophobicContact CG1-CG1 4.39Å; V68-V114 HydrophobicContact CG2-CG1 3.99Å
69	S	94.8	Very high	87.6	Confident	5 Å²	5	29.6 Å²	29.6	4%	0.035	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	150.3	177.4	66	0	0	0	0	112.5	H50 A56 V76 L77 W79	H50-S69 PolarHBondContact CD2-OG 3.36Å; H50-S69 WeakPolarHBondContact NE2-CB 3.42Å; H50-S69 PolarHBondContact NE2-OG 3.19Å; A56-S69 WeakPolarHBondContact O-CA 3.48Å; S69-V76 WeakPolarHBondContact O-CA 3.34Å; S69-L77 PolarHBondContact N-O 3.21Å; S69-L77 PolarHBondContact O-N 2.73Å; S69-W79 PolarHBondContact OG-NE1 2.94Å
70	G	92.6	Very high	87.4	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	137.4	-177.4	0	0	0	0	0	109.9	N55 A56	N55-G70 PolarHBondContact N-O 3.36Å; A56-G70 PolarHBondContact N-O 3.24Å; A56-G70 PolarHBondContact O-N 3.08Å
71	G	87.2	Confident	87.1	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	-174.4	-173.1	0	0	0	0	0	114.3	C53 D73 R74 I102	C53-G71 CarbonylContact O-C 3.57Å; C53-G71 WeakPolarHBondContact O-CA 3.42Å; G71-D73 PolarHBondContact O-N 3.19Å; G71-R74 PolarHBondContact O-N 3.41Å; G71-R74 VanDerWaalsContact O-N 3.09Å; G71-I102 PolarHBondContact O-N 3.13Å
72	D	85.7	Confident	86.8	Confident	17 Å²	17	34.4 Å²	34.4	9%	0.091	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-22.9	177	-70	5.6	0	0	0	113.2	C53 N55 R74 N101	C53-D72 VanDerWaalsContact CB-OD2 3.28Å; C53-D72 WeakPolarHBondContact CB-OD2 3.43Å; C53-D72 PolarHBondContact O-N 3.33Å; C53-D72 PolarHBondContact SG-OD2 3.27Å; N55-D72 PolarHBondContact ND2-OD1 3.2Å; D72-R74 PolarHBondContact O-N 3.32Å; D72-N101 PolarHBondContact OD1-ND2 2.85Å
73	D	82.7	Confident	87.2	Confident	11 Å²	11	33.9 Å²	33.9	6%	0.059	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	4.4	176.6	69.1	-11.4	0	0	0	112.8	H50 F51 G71 R75	H50-D73 VanDerWaalsContact CA-OD2 3.24Å; H50-D73 WeakPolarHBondContact CA-OD2 2.93Å; H50-D73 IonicContact CE1-OD1 3.41Å; H50-D73 IonicContact CG-OD1 3.28Å; H50-D73 IonicContact CG-OD2 2.73Å; H50-D73 VanDerWaalsContact ND1-CG 3.27Å; H50-D73 IonicContact ND1-OD1 2.74Å; H50-D73 PolarHBondContact ND1-OD1 3.32Å; H50-D73 IonicContact ND1-OD2 2.82Å; H50-D73 PolarHBondContact ND1-OD2 2.97Å; F51-D73 HydrophobicContact CB-CB 4.11Å; F51-D73 PolarHBondContact N-OD2 3.39Å; G71-D73 PolarHBondContact O-N 3.19Å; D73-R75 WeakPolarHBondContact O-CG 3.42Å; D73-R75 PolarHBondContact O-N 2.95Å; D73-R75 VanDerWaalsContact O-N 3.08Å; D73-R75 PolarHBondContact OD1-N 2.96Å; D73-R75 IonicContact OD2-CZ 3.23Å; D73-R75 VanDerWaalsContact OD2-CZ 3.27Å; D73-R75 IonicContact OD2-NE 2.82Å; D73-R75 PolarHBondContact OD2-NE 2.82Å; D73-R75 IonicContact OD2-NH2 3.5Å; D73-R75 PolarHBondContact OD2-NH2 2.99Å
74	R	89.4	Confident	87.8	Confident	66 Å²	66	33 Å²	33	25%	0.249	15%	0.15	C	C	.	.			trans	67.7	5.5	171	-46.1	166.9	-173.9	-161.8	-15	115.2	G71 D72 H98 L99	G71-R74 PolarHBondContact O-N 3.41Å; G71-R74 VanDerWaalsContact O-N 3.09Å; D72-R74 PolarHBondContact O-N 3.32Å; R74-H98 HydrophobicContact CB-CB 4.33Å; R74-H98 WeakPolarHBondContact CB-O 3.26Å; R74-H98 WeakPolarHBondContact CD-O 3.33Å; R74-H98 PolarHBondContact O-N 2.71Å; R74-H98 VanDerWaalsContact O-N 3.12Å; R74-L99 PolarHBondContact NE-O 3.49Å; R74-L99 PolarHBondContact NH1-O 2.87Å; R74-L99 PolarHBondContact NH2-O 3.18Å
75	R	90	Very high	87.7	Confident	35 Å²	35	34.1 Å²	34.1	13%	0.132	16%	0.155	C	C	.	.			trans	-94.7	139.2	-178.5	-62.4	-178	-62.5	172.5	5	109.8	G49 H50 D73 L77 K93 I102	G49-R75 PolarHBondContact O-NH2 2.94Å; H50-R75 PolarHBondContact CE1-O 3.48Å; D73-R75 WeakPolarHBondContact O-CG 3.42Å; D73-R75 PolarHBondContact O-N 2.95Å; D73-R75 VanDerWaalsContact O-N 3.08Å; D73-R75 PolarHBondContact OD1-N 2.96Å; D73-R75 IonicContact OD2-CZ 3.23Å; D73-R75 VanDerWaalsContact OD2-CZ 3.27Å; D73-R75 IonicContact OD2-NE 2.82Å; D73-R75 PolarHBondContact OD2-NE 2.82Å; D73-R75 IonicContact OD2-NH2 3.5Å; D73-R75 PolarHBondContact OD2-NH2 2.99Å; R75-L77 HydrophobicContact CB-CD2 4.11Å; R75-L77 HydrophobicContact CB-CG 4.38Å; R75-K93 HydrophobicContact CG-CD 4.35Å; R75-I102 VanDerWaalsContact O-CD1 3.27Å; R75-I102 WeakPolarHBondContact O-CD1 3.01Å
76	V	94.5	Very high	86.9	Confident	0 Å²	0	32 Å²	32	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	116.9	164.7	-172.9	0	0	0	0	107.6	V68 S69 L94 I102 L105 V114	V68-V76 HydrophobicContact CG2-CG1 3.41Å; V68-V76 VanDerWaalsContact CG2-CG1 3.41Å; S69-V76 WeakPolarHBondContact O-CA 3.34Å; V76-L94 HydrophobicContact CB-CB 4.33Å; V76-L94 HydrophobicContact CB-CD1 4.11Å; V76-L94 HydrophobicContact CB-CG 4.46Å; V76-L94 HydrophobicContact CG1-CD1 3.61Å; V76-L94 HydrophobicContact CG1-CG 4.34Å; V76-L94 PolarHBondContact O-N 3.18Å; V76-I102 HydrophobicContact CG2-CD1 3.76Å; V76-L105 HydrophobicContact CG1-CD2 4.06Å; V76-V114 HydrophobicContact CG1-CG1 4.35Å
77	L	94.4	Very high	85.5	Confident	4 Å²	4	30.6 Å²	30.6	2%	0.021	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	126.2	-178.2	-61	-173.9	0	0	0	109.9	V68 S69 R75 W79 P91 K93	V68-L77 WeakPolarHBondContact CA-O 3.05Å; S69-L77 PolarHBondContact N-O 3.21Å; S69-L77 PolarHBondContact O-N 2.73Å; R75-L77 HydrophobicContact CB-CD2 4.11Å; R75-L77 HydrophobicContact CB-CG 4.38Å; L77-W79 HydrophobicContact CB-CZ2 4.26Å; L77-W79 HydrophobicContact CD1-CZ2 3.96Å; L77-W79 PolarHBondContact O-NE1 3.17Å; L77-P91 HydrophobicContact CB-CB 4.07Å; L77-P91 HydrophobicContact CB-CG 4.43Å; L77-P91 HydrophobicContact CD1-CB 4.47Å; L77-P91 HydrophobicContact CD1-CG 3.92Å; L77-P91 HydrophobicContact CD2-CG 4.47Å; L77-K93 HydrophobicContact CD2-CB 3.84Å; L77-K93 HydrophobicContact CD2-CG 4.11Å
78	L	94.2	Very high	84	Confident	12 Å²	12	39.8 Å²	39.8	6%	0.063	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	124.5	175.1	-174.9	72.6	0	0	0	109.7	Y66 V68 V92 F107 V128	Y66-L78 HydrophobicContact CD1-CD1 4.27Å; Y66-L78 HydrophobicContact CD1-CD2 4.35Å; Y66-L78 HydrophobicContact CD1-CG 4.2Å; Y66-L78 HydrophobicContact CG-CD1 4.26Å; V68-L78 HydrophobicContact CB-CD1 4.47Å; L78-V92 HydrophobicContact CB-CB 4.37Å; L78-V92 PolarHBondContact N-O 3.46Å; L78-V92 PolarHBondContact O-N 2.72Å; L78-F107 HydrophobicContact CD1-CE1 4.43Å; L78-F107 HydrophobicContact CD1-CZ 4.05Å; L78-V128 HydrophobicContact CD2-CG1 3.8Å
79	W	91.6	Very high	82.6	Confident	11 Å²	11	41.8 Å²	41.8	4%	0.042	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	118.6	-177.1	-52.7	82	0	0	0	109.6	L47 Y66 L67 S69 L77 I81 A84 P91	L47-W79 HydrophobicContact CB-CE3 4.32Å; L47-W79 HydrophobicContact CB-CH2 4.19Å; L47-W79 HydrophobicContact CB-CZ3 3.99Å; L47-W79 HydrophobicContact CD1-CD2 4.37Å; L47-W79 HydrophobicContact CD1-CE3 4.21Å; Y66-W79 CarbonylContact C-O 3.58Å; Y66-W79 VanDerWaalsContact CA-O 3.27Å; Y66-W79 WeakPolarHBondContact CA-O 3.49Å; L67-W79 HydrophobicContact CB-CB 4.21Å; L67-W79 PolarHBondContact N-O 3.13Å; L67-W79 WeakPolarHBondContact O-CB 3.2Å; L67-W79 VanDerWaalsContact O-CD1 3.26Å; L67-W79 PolarHBondContact O-N 3.29Å; S69-W79 PolarHBondContact OG-NE1 2.94Å; L77-W79 HydrophobicContact CB-CZ2 4.26Å; L77-W79 HydrophobicContact CD1-CZ2 3.96Å; L77-W79 PolarHBondContact O-NE1 3.17Å; W79-I81 PolarHBondContact O-N 3.18Å; W79-A84 HydrophobicContact CE3-CB 4.35Å; W79-P91 HydrophobicContact CD2-CB 3.68Å; W79-P91 HydrophobicContact CD2-CG 4.4Å; W79-P91 HydrophobicContact CE3-CB 3.67Å; W79-P91 HydrophobicContact CE3-CG 4.13Å; W79-P91 HydrophobicContact CG-CB 4.36Å; W79-P91 HydrophobicContact CH2-CB 3.89Å; W79-P91 HydrophobicContact CH2-CG 3.5Å; W79-P91 HydrophobicContact CZ2-CB 3.88Å; W79-P91 HydrophobicContact CZ2-CG 3.78Å; W79-P91 HydrophobicContact CZ3-CB 3.77Å; W79-P91 HydrophobicContact CZ3-CG 3.68Å
80	D	88.4	Confident	81.8	Confident	40 Å²	40	50.6 Å²	50.6	21%	0.214	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	110.2	160.6	177.3	-37.6	0	0	0	107.7	Y66 E82 K83 A84	Y66-D80 HydrophobicContact CD1-CB 4.46Å; Y66-D80 HydrophobicContact CE1-CB 4.29Å; D80-E82 VanDerWaalsContact C-N 3.33Å; D80-E82 PolarHBondContact O-N 3.08Å; D80-E82 PolarHBondContact OD1-N 3.29Å; D80-K83 HydrophobicContact CB-CB 4.18Å; D80-K83 HydrophobicContact CB-CD 4.26Å; D80-K83 HydrophobicContact CB-CG 4.34Å; D80-K83 PolarHBondContact O-N 3.15Å; D80-K83 PolarHBondContact OD1-N 2.74Å; D80-K83 VanDerWaalsContact OD2-CD 3.31Å; D80-K83 WeakPolarHBondContact OD2-CD 3.46Å; D80-K83 VanDerWaalsContact OD2-CE 3.32Å; D80-K83 WeakPolarHBondContact OD2-CE 3.48Å; D80-K83 WeakPolarHBondContact OD2-CG 3.27Å; D80-K83 IonicContact OD2-NZ 3.24Å; D80-K83 PolarHBondContact OD2-NZ 2.76Å; D80-A84 WeakPolarHBondContact O-CB 3.47Å; D80-A84 PolarHBondContact O-N 2.69Å
81	I	84.8	Confident	81.7	Confident	15 Å²	15	52 Å²	52	8%	0.077	25%	0.25	C	C	.	.	H	α-helix	trans	-66.1	-36.9	-170.3	-75	-69.2	0	0	0	111.7	F59 E65 L67 W79 I85 M345	F59-I81 HydrophobicContact CE1-CD1 4.27Å; F59-I81 HydrophobicContact CE1-CG1 4.4Å; E65-I81 WeakPolarHBondContact O-CB 3.44Å; E65-I81 PolarHBondContact O-N 2.98Å; L67-I81 HydrophobicContact CB-CD1 3.57Å; L67-I81 HydrophobicContact CB-CG1 3.87Å; L67-I81 HydrophobicContact CD2-CD1 4.08Å; L67-I81 HydrophobicContact CG-CD1 4.44Å; W79-I81 PolarHBondContact O-N 3.18Å; I81-I85 HydrophobicContact CG2-CD1 3.68Å; I81-I85 HydrophobicContact CG2-CG1 4.45Å; I81-I85 WeakPolarHBondContact O-CB 3.38Å; I81-I85 VanDerWaalsContact O-CG1 3.25Å; I81-I85 WeakPolarHBondContact O-CG1 2.99Å; I81-I85 PolarHBondContact O-N 3.27Å; I81-M345 HydrophobicContact CD1-CE 4.39Å; I81-M345 HydrophobicContact CG2-CE 3.76Å; I81-M345 HydrophobicContact CG2-SD 3.84Å
82	E	77.2	Confident	81.9	Confident	135 Å²	135	54.8 Å²	54.8	63%	0.631	27%	0.267	S	S	*	.	H	α-helix	trans	-66.1	-46.6	179.6	-166.8	-177.1	-179.9	0	0	110.4	D80 I85 H86	D80-E82 VanDerWaalsContact C-N 3.33Å; D80-E82 PolarHBondContact O-N 3.08Å; D80-E82 PolarHBondContact OD1-N 3.29Å; E82-I85 PolarHBondContact O-N 3.48Å; E82-H86 PolarHBondContact O-N 2.71Å; E82-H86 PolarHBondContact O-ND1 3.03Å
83	K	80.2	Confident	82.2	Confident	118 Å²	118	58 Å²	58	51%	0.513	28%	0.28	S	S	.	.	H	α-helix	trans	-66.8	-42.8	177	-66.1	-176.8	-174.3	119.8	0	112	D80 I85 H86 S87 S89	D80-K83 HydrophobicContact CB-CB 4.18Å; D80-K83 HydrophobicContact CB-CD 4.26Å; D80-K83 HydrophobicContact CB-CG 4.34Å; D80-K83 PolarHBondContact O-N 3.15Å; D80-K83 PolarHBondContact OD1-N 2.74Å; D80-K83 VanDerWaalsContact OD2-CD 3.31Å; D80-K83 WeakPolarHBondContact OD2-CD 3.46Å; D80-K83 VanDerWaalsContact OD2-CE 3.32Å; D80-K83 WeakPolarHBondContact OD2-CE 3.48Å; D80-K83 WeakPolarHBondContact OD2-CG 3.27Å; D80-K83 IonicContact OD2-NZ 3.24Å; D80-K83 PolarHBondContact OD2-NZ 2.76Å; K83-I85 VanDerWaalsContact C-N 3.25Å; K83-I85 PolarHBondContact O-N 3.44Å; K83-H86 PolarHBondContact O-N 2.79Å; K83-S87 WeakPolarHBondContact O-CA 3.48Å; K83-S87 PolarHBondContact O-N 2.59Å; K83-S87 PolarHBondContact O-OG 2.75Å; K83-S89 VanDerWaalsContact C-OG 3.32Å; K83-S89 VanDerWaalsContact CB-OG 3.29Å; K83-S89 WeakPolarHBondContact CB-OG 3.16Å; K83-S89 PolarHBondContact O-OG 2.99Å
84	A	80.3	Confident	82.7	Confident	5 Å²	5	57.5 Å²	57.5	4%	0.041	28%	0.277	C	S	.	.	H	α-helix	trans	-64.6	-28.1	-178.8	0	0	0	0	0	112.4	K45 L47 W79 D80 S89	K45-A84 WeakPolarHBondContact CE-O 3.14Å; K45-A84 PolarHBondContact NZ-O 3.01Å; L47-A84 HydrophobicContact CD2-CB 3.92Å; W79-A84 HydrophobicContact CE3-CB 4.35Å; D80-A84 WeakPolarHBondContact O-CB 3.47Å; D80-A84 PolarHBondContact O-N 2.69Å; A84-S89 PolarHBondContact N-OG 2.71Å
85	I	74.3	Confident	82.7	Confident	27 Å²	27	59.9 Å²	59.9	14%	0.138	29%	0.289	C	S	.	.	H	α-helix	trans	-84.2	-37.3	176.2	-67.3	170.8	0	0	0	112.7	V13 K45 I81 E82 K83 M345	V13-I85 HydrophobicContact CB-CG2 4.37Å; V13-I85 HydrophobicContact CG1-CG2 4.34Å; V13-I85 HydrophobicContact CG2-CG2 4.45Å; K45-I85 WeakPolarHBondContact CD-O 3.45Å; K45-I85 PolarHBondContact NZ-O 3.29Å; I81-I85 HydrophobicContact CG2-CD1 3.68Å; I81-I85 HydrophobicContact CG2-CG1 4.45Å; I81-I85 WeakPolarHBondContact O-CB 3.38Å; I81-I85 VanDerWaalsContact O-CG1 3.25Å; I81-I85 WeakPolarHBondContact O-CG1 2.99Å; I81-I85 PolarHBondContact O-N 3.27Å; E82-I85 PolarHBondContact O-N 3.48Å; K83-I85 VanDerWaalsContact C-N 3.25Å; K83-I85 PolarHBondContact O-N 3.44Å; I85-M345 HydrophobicContact CD1-CE 3.57Å; I85-M345 HydrophobicContact CD1-SD 3.95Å
86	H	65.6	Low	82.3	Confident	86 Å²	86	58.4 Å²	58.4	40%	0.398	29%	0.285	S	S	.	.	H	α-helix	trans	-99.2	-20.6	-170.7	-60.7	95.9	0	0	0	114.7	E82 K83	E82-H86 PolarHBondContact O-N 2.71Å; E82-H86 PolarHBondContact O-ND1 3.03Å; K83-H86 PolarHBondContact O-N 2.79Å
87	S	59.6	Low	82	Confident	51 Å²	51	63.1 Å²	63.1	36%	0.357	31%	0.307	S	S	.	.	S	Bend	trans	-128.8	170.3	-178.6	72.2	0	0	0	0	111.3	K45 K83 S89	K45-S87 PolarHBondContact NZ-O 2.72Å; K83-S87 WeakPolarHBondContact O-CA 3.48Å; K83-S87 PolarHBondContact O-N 2.59Å; K83-S87 PolarHBondContact O-OG 2.75Å; S87-S89 PolarHBondContact O-N 3.18Å; S87-S89 WeakPolarHBondContact OG-CB 3.37Å; S87-S89 PolarHBondContact OG-N 3.23Å
88	H	61	Low	81.8	Confident	198 Å²	198	63 Å²	63	92%	0.917	31%	0.307	S	S	*	.			trans	-85	39.8	167.5	-71	83.2	0	0	0	110.5	K90	H88-K90 PolarHBondContact O-N 3.36Å
89	S	65.6	Low	81.6	Confident	41 Å²	41	67.9 Å²	67.9	29%	0.287	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-69	129.5	179.9	68.7	0	0	0	0	110	K83 A84 S87	K83-S89 VanDerWaalsContact C-OG 3.32Å; K83-S89 VanDerWaalsContact CB-OG 3.29Å; K83-S89 WeakPolarHBondContact CB-OG 3.16Å; K83-S89 PolarHBondContact O-OG 2.99Å; A84-S89 PolarHBondContact N-OG 2.71Å; S87-S89 PolarHBondContact O-N 3.18Å; S87-S89 WeakPolarHBondContact OG-CB 3.37Å; S87-S89 PolarHBondContact OG-N 3.23Å
90	K	78.3	Confident	81.6	Confident	190 Å²	190	68.2 Å²	68.2	83%	0.826	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-69.4	146.7	173.9	-66	-175.8	177.4	-175.5	0	110.3	H88	H88-K90 PolarHBondContact O-N 3.36Å
91	P	89.9	Confident	81.6	Confident	29 Å²	29	67.5 Å²	67.5	19%	0.188	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-64.1	155.7	171.4	28.1	-34.4	0	0	0	111.2	L77 W79	L77-P91 HydrophobicContact CB-CB 4.07Å; L77-P91 HydrophobicContact CB-CG 4.43Å; L77-P91 HydrophobicContact CD1-CB 4.47Å; L77-P91 HydrophobicContact CD1-CG 3.92Å; L77-P91 HydrophobicContact CD2-CG 4.47Å; W79-P91 HydrophobicContact CD2-CB 3.68Å; W79-P91 HydrophobicContact CD2-CG 4.4Å; W79-P91 HydrophobicContact CE3-CB 3.67Å; W79-P91 HydrophobicContact CE3-CG 4.13Å; W79-P91 HydrophobicContact CG-CB 4.36Å; W79-P91 HydrophobicContact CH2-CB 3.89Å; W79-P91 HydrophobicContact CH2-CG 3.5Å; W79-P91 HydrophobicContact CZ2-CB 3.88Å; W79-P91 HydrophobicContact CZ2-CG 3.78Å; W79-P91 HydrophobicContact CZ3-CB 3.77Å; W79-P91 HydrophobicContact CZ3-CG 3.68Å
92	V	91.5	Very high	82.1	Confident	59 Å²	59	66.8 Å²	66.8	36%	0.358	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	127.1	169.7	178	0	0	0	0	108.2	L78 Q131	L78-V92 HydrophobicContact CB-CB 4.37Å; L78-V92 PolarHBondContact N-O 3.46Å; L78-V92 PolarHBondContact O-N 2.72Å; V92-Q131 HydrophobicContact CG1-CG 3.82Å
93	K	92.7	Very high	82.8	Confident	85 Å²	85	63.1 Å²	63.1	37%	0.37	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	122.9	175.5	177.8	-174.5	172.9	-177.9	0	108.9	R75 L77 E97	R75-K93 HydrophobicContact CG-CD 4.35Å; L77-K93 HydrophobicContact CD2-CB 3.84Å; L77-K93 HydrophobicContact CD2-CG 4.11Å; K93-E97 WeakPolarHBondContact CE-OE1 2.85Å; K93-E97 IonicContact NZ-OE1 2.73Å; K93-E97 PolarHBondContact NZ-OE1 2.71Å
94	L	93.4	Very high	83.5	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-70.3	142.8	171.8	-56.1	179.4	0	0	0	109.4	V76 G96 V114 H126 Q131	V76-L94 HydrophobicContact CB-CB 4.33Å; V76-L94 HydrophobicContact CB-CD1 4.11Å; V76-L94 HydrophobicContact CB-CG 4.46Å; V76-L94 HydrophobicContact CG1-CD1 3.61Å; V76-L94 HydrophobicContact CG1-CG 4.34Å; V76-L94 PolarHBondContact O-N 3.18Å; L94-G96 VanDerWaalsContact C-N 3.29Å; L94-G96 PolarHBondContact O-N 2.66Å; L94-V114 HydrophobicContact CD1-CB 4.32Å; L94-V114 HydrophobicContact CD1-CG1 4.37Å; L94-H126 HydrophobicContact CB-CB 4.48Å; L94-H126 HydrophobicContact CD1-CB 3.63Å; L94-H126 HydrophobicContact CG-CB 4.49Å; L94-Q131 HydrophobicContact CD2-CB 4.16Å; L94-Q131 HydrophobicContact CD2-CG 4.22Å
95	K	88.6	Confident	84.3	Confident	116 Å²	116	57.9 Å²	57.9	50%	0.504	29%	0.288	S	S	.	.	S	Bend	trans	-70.1	-26.4	-171.8	-68	179.2	178.9	-177.4	0	113.2	E97 Q131 E132	K95-E97 PolarHBondContact O-N 2.72Å; K95-Q131 VanDerWaalsContact CB-O 3.28Å; K95-Q131 WeakPolarHBondContact CB-O 2.82Å; K95-Q131 WeakPolarHBondContact CG-O 3.29Å; K95-Q131 PolarHBondContact N-O 3.49Å; K95-E132 HydrophobicContact CD-CG 4.5Å; K95-E132 WeakPolarHBondContact CD-OE1 2.73Å; K95-E132 WeakPolarHBondContact CD-OE2 3.44Å; K95-E132 IonicContact NZ-OE1 3.57Å; K95-E132 PolarHBondContact NZ-OE1 3.5Å
96	G	83.2	Confident	85.2	Confident	4 Å²	4	57 Å²	57	4%	0.041	29%	0.285	C	S	.	.			trans	-70.8	120.2	174.4	0	0	0	0	0	110.9	L94 H126 T133	L94-G96 VanDerWaalsContact C-N 3.29Å; L94-G96 PolarHBondContact O-N 2.66Å; G96-H126 PolarHBondContact O-CE1 3.07Å; G96-H126 VanDerWaalsContact O-CE1 3.32Å; G96-T133 WeakPolarHBondContact CA-OG1 3.36Å; G96-T133 PolarHBondContact N-OG1 2.87Å
97	E	86.6	Confident	86.6	Confident	99 Å²	99	53.5 Å²	53.5	46%	0.463	27%	0.269	S	S	.	.			trans	-110.8	137.6	177.2	-69.3	-177	-164.3	0	0	110.4	K93 K95	K93-E97 WeakPolarHBondContact CE-OE1 2.85Å; K93-E97 IonicContact NZ-OE1 2.73Å; K93-E97 PolarHBondContact NZ-OE1 2.71Å; K95-E97 PolarHBondContact O-N 2.72Å
98	H	91.3	Very high	88.1	Confident	3 Å²	3	51.1 Å²	51.1	1%	0.014	25%	0.252	C	S	.	.			trans	-74.8	159	170.2	-80.7	-91.7	0	0	0	110.5	R74 S100 I102 S116 D120 Q122	R74-H98 HydrophobicContact CB-CB 4.33Å; R74-H98 WeakPolarHBondContact CB-O 3.26Å; R74-H98 WeakPolarHBondContact CD-O 3.33Å; R74-H98 PolarHBondContact O-N 2.71Å; R74-H98 VanDerWaalsContact O-N 3.12Å; H98-S100 VanDerWaalsContact C-N 3.35Å; H98-S100 WeakPolarHBondContact CB-O 3.3Å; H98-I102 HydrophobicContact CB-CD1 4.44Å; H98-I102 HydrophobicContact CB-CG1 3.94Å; H98-S116 PolarHBondContact CE1-O 2.7Å; H98-S116 VanDerWaalsContact CE1-O 3.25Å; H98-S116 VanDerWaalsContact NE2-CB 3.31Å; H98-S116 WeakPolarHBondContact NE2-CB 3.42Å; H98-S116 PolarHBondContact NE2-O 3.03Å; H98-S116 PolarHBondContact NE2-OG 2.8Å; H98-D120 WeakPolarHBondContact CA-OD2 2.92Å; H98-D120 WeakPolarHBondContact CB-OD2 2.96Å; H98-D120 IonicContact CE1-OD1 2.71Å; H98-D120 IonicContact CG-OD1 2.98Å; H98-D120 IonicContact CG-OD2 3.53Å; H98-D120 VanDerWaalsContact ND1-CG 3.26Å; H98-D120 IonicContact ND1-OD1 3.2Å; H98-D120 PolarHBondContact ND1-OD1 2.75Å; H98-D120 IonicContact ND1-OD2 3.45Å; H98-D120 PolarHBondContact ND1-OD2 3Å; H98-Q122 PolarHBondContact CE1-O 3.24Å
99	L	88.9	Confident	89.4	Confident	113 Å²	113	44.2 Å²	44.2	59%	0.592	23%	0.226	S	C	*	.	S	Bend	trans	-87.4	-11.9	173.4	-56.9	175.6	0	0	0	112.1	R74 D120	R74-L99 PolarHBondContact NE-O 3.49Å; R74-L99 PolarHBondContact NH1-O 2.87Å; R74-L99 PolarHBondContact NH2-O 3.18Å; L99-D120 HydrophobicContact CB-CB 3.81Å; L99-D120 PolarHBondContact N-OD2 3.31Å
100	S	92.1	Very high	90.5	Very high	19 Å²	19	45.6 Å²	45.6	13%	0.133	24%	0.236	C	C	.	.	S	Bend	trans	-150.7	-173.1	-173	-156	0	0	0	0	111.3	H98 N119	H98-S100 VanDerWaalsContact C-N 3.35Å; H98-S100 WeakPolarHBondContact CB-O 3.3Å; S100-N119 PolarHBondContact OG-ND2 3.49Å
101	N	89.6	Confident	91.1	Very high	25 Å²	25	38 Å²	38	13%	0.134	20%	0.204	C	C	.	.			trans	-60.9	134.7	-174.9	-52.8	56.7	0	0	0	111.7	D72 F103 G118 N119	D72-N101 PolarHBondContact OD1-ND2 2.85Å; N101-F103 HydrophobicContact CB-CE1 4.08Å; N101-F103 HydrophobicContact CB-CZ 4.05Å; N101-G118 CarbonylContact O-C 3.47Å; N101-G118 WeakPolarHBondContact O-CA 3.44Å; N101-N119 HydrophobicContact CB-CB 4.29Å; N101-N119 PolarHBondContact O-N 3.06Å
102	I	94.3	Very high	91.2	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	126.7	176.1	-58.7	160.3	0	0	0	108.9	N55 A56 G71 R75 V76 H98 L105	N55-I102 WeakPolarHBondContact CB-O 3.44Å; A56-I102 HydrophobicContact CB-CG2 4.3Å; G71-I102 PolarHBondContact O-N 3.13Å; R75-I102 VanDerWaalsContact O-CD1 3.27Å; R75-I102 WeakPolarHBondContact O-CD1 3.01Å; V76-I102 HydrophobicContact CG2-CD1 3.76Å; H98-I102 HydrophobicContact CB-CD1 4.44Å; H98-I102 HydrophobicContact CB-CG1 3.94Å; I102-L105 HydrophobicContact CG2-CD2 4.31Å; I102-L105 HydrophobicContact CG2-CG 4.45Å
103	F	92.9	Very high	91.3	Very high	57 Å²	57	38.7 Å²	38.7	25%	0.25	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	-20.7	-176.9	-68.3	-47.9	0	0	0	114.3	N55 N101 G117 N119 Y144	N55-F103 HydrophobicContact CB-CD1 4.04Å; N101-F103 HydrophobicContact CB-CE1 4.08Å; N101-F103 HydrophobicContact CB-CZ 4.05Å; F103-G117 PolarHBondContact N-O 2.67Å; F103-N119 HydrophobicContact CD2-CB 4.13Å; F103-N119 HydrophobicContact CE2-CB 3.45Å; F103-N119 VanDerWaalsContact CE2-CB 3.45Å; F103-N119 HydrophobicContact CZ-CB 4.08Å; F103-Y144 AromaticContact CD2-CD1 3.89Å; F103-Y144 HydrophobicContact CD2-CD1 3.89Å; F103-Y144 HydrophobicContact CD2-CE1 4.14Å; F103-Y144 HydrophobicContact CE2-CD1 4.27Å; F103-Y144 HydrophobicContact CE2-CE1 4.05Å; F103-Y144 HydrophobicContact CG-CD1 4.4Å
104	C	93.9	Very high	91.5	Very high	7 Å²	7	34.7 Å²	34.7	5%	0.047	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	150	-177.9	54.5	0	0	0	0	113.2	G117 Y144 L146	C104-G117 PolarHBondContact N-O 3.09Å; C104-G117 PolarHBondContact O-N 2.82Å; C104-G117 VanDerWaalsContact SG-CA 3.6Å; C104-G117 PolarHBondContact SG-O 3.49Å; C104-Y144 WeakPolarHBondContact CB-O 2.74Å; C104-L146 HydrophobicContact CB-CG 4.48Å; C104-L146 VanDerWaalsContact SG-CD1 3.55Å; C104-L146 VanDerWaalsContact SG-CG 3.54Å
105	L	96	Very high	91.6	Very high	6 Å²	6	34.7 Å²	34.7	3%	0.031	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	144.8	-178.3	-67.9	162.5	0	0	0	109	A56 E58 V68 V76 I102 V114 F115	A56-L105 HydrophobicContact CB-CB 4.5Å; A56-L105 HydrophobicContact CB-CD1 3.58Å; A56-L105 HydrophobicContact CB-CG 3.78Å; A56-L105 WeakPolarHBondContact O-CD1 3.41Å; E58-L105 HydrophobicContact CB-CB 4.14Å; V68-L105 HydrophobicContact CG1-CB 3.94Å; V68-L105 HydrophobicContact CG1-CD1 3.99Å; V68-L105 HydrophobicContact CG1-CD2 4.36Å; V68-L105 HydrophobicContact CG1-CG 4.31Å; V68-L105 HydrophobicContact CG2-CD1 4.32Å; V68-L105 HydrophobicContact CG2-CD2 4.21Å; V76-L105 HydrophobicContact CG1-CD2 4.06Å; I102-L105 HydrophobicContact CG2-CD2 4.31Å; I102-L105 HydrophobicContact CG2-CG 4.45Å; L105-V114 HydrophobicContact CD2-CG1 4.37Å; L105-F115 CarbonylContact C-O 3.58Å; L105-F115 VanDerWaalsContact CA-O 3.28Å; L105-F115 WeakPolarHBondContact CA-O 2.94Å
106	A	94.7	Very high	92	Very high	10 Å²	10	29.2 Å²	29.2	8%	0.083	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	144.6	172.1	0	0	0	0	0	111	F115 L146 V148	A106-F115 HydrophobicContact CB-CB 4.49Å; A106-F115 PolarHBondContact N-O 3.07Å; A106-F115 PolarHBondContact O-N 2.9Å; A106-L146 HydrophobicContact CB-CB 4.48Å; A106-V148 HydrophobicContact CB-CG2 3.97Å
107	F	94	Very high	92.6	Very high	12 Å²	12	29 Å²	29	5%	0.053	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	151.9	167	-79.6	-85.7	0	0	0	110.4	F59 V68 L78 N111 V114 V128	F59-F107 WeakPolarHBondContact O-CD2 3.12Å; V68-F107 HydrophobicContact CB-CE2 3.9Å; V68-F107 HydrophobicContact CB-CZ 3.91Å; V68-F107 HydrophobicContact CG1-CD2 4.15Å; V68-F107 HydrophobicContact CG1-CE2 3.44Å; V68-F107 VanDerWaalsContact CG1-CE2 3.44Å; V68-F107 HydrophobicContact CG1-CZ 3.93Å; L78-F107 HydrophobicContact CD1-CE1 4.43Å; L78-F107 HydrophobicContact CD1-CZ 4.05Å; F107-N111 HydrophobicContact CD1-CB 4.46Å; F107-V114 HydrophobicContact CD1-CG2 3.65Å; F107-V114 HydrophobicContact CE1-CG2 3.31Å; F107-V114 HydrophobicContact CG-CG2 4.41Å; F107-V114 HydrophobicContact CZ-CG2 3.82Å; F107-V128 HydrophobicContact CE1-CG2 4.32Å
108	D	92.4	Very high	92.9	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	14%	0.14	C	C	.	.			trans	-72.3	165.4	161.8	74.1	-35	0	0	0	111.4	N61 S110 N111 S112 K113 F115 D153	N61-D108 PolarHBondContact ND2-O 2.65Å; D108-S110 PolarHBondContact O-N 3.49Å; D108-S110 PolarHBondContact OD2-OG 3.29Å; D108-N111 PolarHBondContact O-N 3.31Å; D108-N111 VanDerWaalsContact O-N 3.14Å; D108-N111 VanDerWaalsContact OD1-C 3.23Å; D108-N111 WeakPolarHBondContact OD1-CA 3.44Å; D108-N111 PolarHBondContact OD1-N 2.95Å; D108-S112 PolarHBondContact OD1-N 2.9Å; D108-S112 PolarHBondContact OD2-OG 3.26Å; D108-K113 HydrophobicContact CB-CB 4.33Å; D108-K113 PolarHBondContact N-O 2.84Å; D108-K113 PolarHBondContact OD1-N 3.41Å; D108-F115 HydrophobicContact CB-CE2 4.49Å; D108-D153 HydrophobicContact CB-CB 4.02Å
109	S	88.4	Confident	93	Very high	53 Å²	53	27.2 Å²	27.2	37%	0.371	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-26.8	-176.6	71.3	0	0	0	0	112.9	D153	S109-D153 WeakPolarHBondContact CB-OD1 3.3Å; S109-D153 PolarHBondContact N-OD1 3.18Å; S109-D153 PolarHBondContact OG-OD1 3.15Å; S109-D153 PolarHBondContact OG-OD2 3.01Å
110	S	87.9	Confident	93.2	Very high	70 Å²	70	22.4 Å²	22.4	49%	0.49	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-6.8	178	81	0	0	0	0	115.2	D108 S112	D108-S110 PolarHBondContact O-N 3.49Å; D108-S110 PolarHBondContact OD2-OG 3.29Å; S110-S112 PolarHBondContact O-N 3.35Å; S110-S112 WeakPolarHBondContact OG-CB 2.93Å; S110-S112 PolarHBondContact OG-N 3.05Å; S110-S112 PolarHBondContact OG-OG 3.49Å
111	N	90.9	Very high	93.4	Very high	30 Å²	30	25.8 Å²	25.8	16%	0.16	14%	0.144	C	C	.	.	S	Bend	trans	58.6	16.9	-171.3	-56.3	-41	0	0	0	115.1	S60 N61 F107 D108	S60-N111 WeakPolarHBondContact CB-OD1 3.5Å; N61-N111 WeakPolarHBondContact CB-OD1 2.94Å; N61-N111 PolarHBondContact N-OD1 3.42Å; N61-N111 PolarHBondContact O-ND2 2.91Å; F107-N111 HydrophobicContact CD1-CB 4.46Å; D108-N111 PolarHBondContact O-N 3.31Å; D108-N111 VanDerWaalsContact O-N 3.14Å; D108-N111 VanDerWaalsContact OD1-C 3.23Å; D108-N111 WeakPolarHBondContact OD1-CA 3.44Å; D108-N111 PolarHBondContact OD1-N 2.95Å
112	S	91.6	Very high	93.6	Very high	46 Å²	46	26.4 Å²	26.4	32%	0.322	15%	0.146	S	C	.	.	S	Bend	trans	-79	-23.7	177.1	72.9	0	0	0	0	112.7	D108 S110 V128	D108-S112 PolarHBondContact OD1-N 2.9Å; D108-S112 PolarHBondContact OD2-OG 3.26Å; S110-S112 PolarHBondContact O-N 3.35Å; S110-S112 WeakPolarHBondContact OG-CB 2.93Å; S110-S112 PolarHBondContact OG-N 3.05Å; S110-S112 PolarHBondContact OG-OG 3.49Å; S112-V128 WeakPolarHBondContact O-CB 3.3Å; S112-V128 WeakPolarHBondContact O-CG2 2.87Å; S112-V128 PolarHBondContact O-N 2.77Å
113	K	94.4	Very high	93.6	Very high	57 Å²	57	26.4 Å²	26.4	25%	0.248	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	146.4	-172.2	-68.2	169.9	-169	169	0	112.1	D108 L125 H126 L134	D108-K113 HydrophobicContact CB-CB 4.33Å; D108-K113 PolarHBondContact N-O 2.84Å; D108-K113 PolarHBondContact OD1-N 3.41Å; K113-L125 HydrophobicContact CB-CD1 3.84Å; K113-L125 HydrophobicContact CD-CD1 4.16Å; K113-L125 HydrophobicContact CD-CD2 4.47Å; K113-L125 HydrophobicContact CG-CD1 4.28Å; K113-H126 VanDerWaalsContact CA-O 3.31Å; K113-H126 WeakPolarHBondContact CA-O 3.34Å; K113-L134 HydrophobicContact CD-CD1 4.17Å; K113-L134 HydrophobicContact CG-CD1 4.09Å
114	V	95.9	Very high	93.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	132.7	173.2	169.4	0	0	0	0	109.4	V68 V76 L94 L105 F107 H126 V128	V68-V114 HydrophobicContact CG1-CG1 4.39Å; V68-V114 HydrophobicContact CG2-CG1 3.99Å; V76-V114 HydrophobicContact CG1-CG1 4.35Å; L94-V114 HydrophobicContact CD1-CB 4.32Å; L94-V114 HydrophobicContact CD1-CG1 4.37Å; L105-V114 HydrophobicContact CD2-CG1 4.37Å; F107-V114 HydrophobicContact CD1-CG2 3.65Å; F107-V114 HydrophobicContact CE1-CG2 3.31Å; F107-V114 HydrophobicContact CG-CG2 4.41Å; F107-V114 HydrophobicContact CZ-CG2 3.82Å; V114-H126 HydrophobicContact CB-CB 4.41Å; V114-H126 PolarHBondContact N-O 2.98Å; V114-H126 PolarHBondContact O-CD2 3.2Å; V114-H126 PolarHBondContact O-N 3.13Å; V114-V128 HydrophobicContact CG2-CG2 3.76Å
115	F	96.8	Very high	93.8	Very high	1 Å²	1	23.9 Å²	23.9	0%	0.004	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	130.9	168.6	-62.9	-102.3	0	0	0	108.9	L105 A106 D108 V123 I124 L125 L146 V148 F156 T170	L105-F115 CarbonylContact C-O 3.58Å; L105-F115 VanDerWaalsContact CA-O 3.28Å; L105-F115 WeakPolarHBondContact CA-O 2.94Å; A106-F115 HydrophobicContact CB-CB 4.49Å; A106-F115 PolarHBondContact N-O 3.07Å; A106-F115 PolarHBondContact O-N 2.9Å; D108-F115 HydrophobicContact CB-CE2 4.49Å; F115-V123 HydrophobicContact CB-CG1 4.49Å; F115-V123 HydrophobicContact CD1-CG1 4.34Å; F115-I124 WeakPolarHBondContact CA-O 2.82Å; F115-L125 HydrophobicContact CD1-CD1 3.83Å; F115-L125 HydrophobicContact CD2-CD1 3.96Å; F115-L125 HydrophobicContact CE1-CD1 3.55Å; F115-L125 HydrophobicContact CE1-CD2 4.38Å; F115-L125 HydrophobicContact CE1-CG 4.36Å; F115-L125 HydrophobicContact CE2-CD1 3.67Å; F115-L125 HydrophobicContact CG-CD1 4.03Å; F115-L125 HydrophobicContact CZ-CD1 3.47Å; F115-L125 VanDerWaalsContact CZ-CD1 3.47Å; F115-L125 HydrophobicContact CZ-CD2 4.48Å; F115-L146 HydrophobicContact CB-CD1 4.33Å; F115-V148 HydrophobicContact CD2-CG2 3.56Å; F115-V148 HydrophobicContact CE2-CG2 3.61Å; F115-V148 HydrophobicContact CG-CG2 4.29Å; F115-V148 HydrophobicContact CZ-CG2 4.37Å; F115-F156 AromaticContact CD1-CD1 3.92Å; F115-F156 HydrophobicContact CD1-CD1 3.92Å; F115-F156 HydrophobicContact CD1-CE1 4.18Å; F115-F156 HydrophobicContact CD1-CG 4.11Å; F115-F156 HydrophobicContact CE1-CB 4.35Å; F115-F156 AromaticContact CE1-CD1 3.43Å; F115-F156 HydrophobicContact CE1-CD1 3.43Å; F115-F156 VanDerWaalsContact CE1-CD1 3.43Å; F115-F156 AromaticContact CE1-CE1 3.85Å; F115-F156 HydrophobicContact CE1-CE1 3.85Å; F115-F156 AromaticContact CE1-CG 3.97Å; F115-F156 HydrophobicContact CE1-CG 3.97Å; F115-F156 HydrophobicContact CZ-CD1 4.28Å; F115-T170 HydrophobicContact CE1-CG2 3.79Å; F115-T170 HydrophobicContact CZ-CG2 4.05Å
116	S	97	Very high	93.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	131.6	173.9	62.7	0	0	0	0	110.8	H98 V123 I124 H126	H98-S116 PolarHBondContact CE1-O 2.7Å; H98-S116 VanDerWaalsContact CE1-O 3.25Å; H98-S116 VanDerWaalsContact NE2-CB 3.31Å; H98-S116 WeakPolarHBondContact NE2-CB 3.42Å; H98-S116 PolarHBondContact NE2-O 3.03Å; H98-S116 PolarHBondContact NE2-OG 2.8Å; S116-V123 CarbonylContact O-C 3.55Å; S116-V123 VanDerWaalsContact O-CA 3.23Å; S116-V123 WeakPolarHBondContact O-CA 3.18Å; S116-I124 PolarHBondContact N-O 2.75Å; S116-I124 PolarHBondContact O-N 3.05Å; S116-H126 PolarHBondContact OG-NE2 3.3Å
117	G	95.4	Very high	93.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	140.1	-179.3	0	0	0	0	0	111.6	F103 C104 Q122	F103-G117 PolarHBondContact N-O 2.67Å; C104-G117 PolarHBondContact N-O 3.09Å; C104-G117 PolarHBondContact O-N 2.82Å; C104-G117 VanDerWaalsContact SG-CA 3.6Å; C104-G117 PolarHBondContact SG-O 3.49Å; G117-Q122 WeakPolarHBondContact CA-O 3.24Å
118	G	92.8	Very high	93.7	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	-179	-171.2	0	0	0	0	0	115.6	N101 D120 E121 Q122 V143	N101-G118 CarbonylContact O-C 3.47Å; N101-G118 WeakPolarHBondContact O-CA 3.44Å; G118-D120 WeakPolarHBondContact CA-OD1 3.12Å; G118-D120 PolarHBondContact O-N 3.36Å; G118-E121 PolarHBondContact O-N 3.3Å; G118-Q122 PolarHBondContact N-O 3Å; G118-V143 PolarHBondContact O-N 2.6Å
119	N	93.5	Very high	93.6	Very high	64 Å²	64	33.6 Å²	33.6	34%	0.342	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-2.6	175.4	-162.9	53.6	0	0	0	113.4	S100 N101 F103 A142	S100-N119 PolarHBondContact OG-ND2 3.49Å; N101-N119 HydrophobicContact CB-CB 4.29Å; N101-N119 PolarHBondContact O-N 3.06Å; F103-N119 HydrophobicContact CD2-CB 4.13Å; F103-N119 HydrophobicContact CE2-CB 3.45Å; F103-N119 VanDerWaalsContact CE2-CB 3.45Å; F103-N119 HydrophobicContact CZ-CB 4.08Å; N119-A142 VanDerWaalsContact OD1-CB 3.3Å; N119-A142 WeakPolarHBondContact OD1-CB 3.49Å
120	D	93.2	Very high	93.7	Very high	12 Å²	12	33.9 Å²	33.9	6%	0.064	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	16.6	176.2	57.8	-15.9	0	0	0	112.6	H98 L99 G118 Q122	H98-D120 WeakPolarHBondContact CA-OD2 2.92Å; H98-D120 WeakPolarHBondContact CB-OD2 2.96Å; H98-D120 IonicContact CE1-OD1 2.71Å; H98-D120 IonicContact CG-OD1 2.98Å; H98-D120 IonicContact CG-OD2 3.53Å; H98-D120 VanDerWaalsContact ND1-CG 3.26Å; H98-D120 IonicContact ND1-OD1 3.2Å; H98-D120 PolarHBondContact ND1-OD1 2.75Å; H98-D120 IonicContact ND1-OD2 3.45Å; H98-D120 PolarHBondContact ND1-OD2 3Å; L99-D120 HydrophobicContact CB-CB 3.81Å; L99-D120 PolarHBondContact N-OD2 3.31Å; G118-D120 WeakPolarHBondContact CA-OD1 3.12Å; G118-D120 PolarHBondContact O-N 3.36Å; D120-Q122 WeakPolarHBondContact O-CG 3.46Å; D120-Q122 PolarHBondContact O-N 3.3Å; D120-Q122 VanDerWaalsContact O-N 3.13Å
121	E	94.9	Very high	93.9	Very high	91 Å²	91	33.7 Å²	33.7	43%	0.425	17%	0.174	S	C	.	.	S	Bend	trans	64.5	19.4	175.2	-50.1	155.8	-163.5	0	0	112	G118 H139	G118-E121 PolarHBondContact O-N 3.3Å; E121-H139 WeakPolarHBondContact O-CB 3.5Å; E121-H139 PolarHBondContact O-N 3.21Å
122	Q	93.7	Very high	93.9	Very high	37 Å²	37	36.5 Å²	36.5	17%	0.173	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	142.9	-173.4	-71.7	175.6	46.4	0	0	111.8	H98 G117 G118 D120 V136 L138	H98-Q122 PolarHBondContact CE1-O 3.24Å; G117-Q122 WeakPolarHBondContact CA-O 3.24Å; G118-Q122 PolarHBondContact N-O 3Å; D120-Q122 WeakPolarHBondContact O-CG 3.46Å; D120-Q122 PolarHBondContact O-N 3.3Å; D120-Q122 VanDerWaalsContact O-N 3.13Å; Q122-V136 HydrophobicContact CB-CG1 4.16Å; Q122-V136 HydrophobicContact CG-CG1 3.97Å; Q122-L138 HydrophobicContact CG-CD2 3.7Å
123	V	95.8	Very high	94	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	119.8	160.2	-179.3	0	0	0	0	108.1	F115 S116 V136 F137 V143 L146 F156	F115-V123 HydrophobicContact CB-CG1 4.49Å; F115-V123 HydrophobicContact CD1-CG1 4.34Å; S116-V123 CarbonylContact O-C 3.55Å; S116-V123 VanDerWaalsContact O-CA 3.23Å; S116-V123 WeakPolarHBondContact O-CA 3.18Å; V123-V136 CarbonylContact O-C 3.59Å; V123-V136 WeakPolarHBondContact O-CA 3.16Å; V123-F137 HydrophobicContact CB-CB 4.26Å; V123-F137 HydrophobicContact CB-CD2 4.46Å; V123-F137 HydrophobicContact CG1-CD2 4.48Å; V123-F137 PolarHBondContact N-O 2.74Å; V123-F137 PolarHBondContact O-N 3.07Å; V123-V143 HydrophobicContact CG2-CB 4.39Å; V123-V143 HydrophobicContact CG2-CG1 3.96Å; V123-V143 HydrophobicContact CG2-CG2 4.04Å; V123-L146 HydrophobicContact CB-CD2 4.49Å; V123-L146 HydrophobicContact CG1-CD1 3.79Å; V123-L146 HydrophobicContact CG1-CD2 3.98Å; V123-L146 HydrophobicContact CG2-CD1 4.17Å; V123-L146 HydrophobicContact CG2-CD2 3.67Å; V123-L146 HydrophobicContact CG2-CG 4.44Å; V123-F156 HydrophobicContact CB-CE2 4.36Å; V123-F156 HydrophobicContact CB-CZ 4.38Å; V123-F156 HydrophobicContact CG1-CE2 3.91Å; V123-F156 HydrophobicContact CG1-CZ 4.01Å; V123-F156 HydrophobicContact CG2-CE2 4.3Å
124	I	95.6	Very high	93.9	Very high	4 Å²	4	38.1 Å²	38.1	2%	0.021	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	131	179.5	-52.4	179.6	0	0	0	108.8	F115 S116 H126 T133 V136	F115-I124 WeakPolarHBondContact CA-O 2.82Å; S116-I124 PolarHBondContact N-O 2.75Å; S116-I124 PolarHBondContact O-N 3.05Å; I124-H126 WeakPolarHBondContact CG2-CE1 3.26Å; I124-H126 WeakPolarHBondContact CG2-NE2 3.27Å; I124-H126 PolarHBondContact O-CD2 2.87Å; I124-T133 HydrophobicContact CG2-CG2 3.57Å; I124-V136 HydrophobicContact CG1-CG1 4.47Å; I124-V136 HydrophobicContact CG1-CG2 4.31Å; I124-V136 HydrophobicContact CG2-CG2 4.36Å
125	L	95.8	Very high	93.7	Very high	7 Å²	7	40 Å²	40	4%	0.037	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	121.3	173.1	179.9	58.6	0	0	0	109.4	K113 F115 L134 N135 F137 T170	K113-L125 HydrophobicContact CB-CD1 3.84Å; K113-L125 HydrophobicContact CD-CD1 4.16Å; K113-L125 HydrophobicContact CD-CD2 4.47Å; K113-L125 HydrophobicContact CG-CD1 4.28Å; F115-L125 HydrophobicContact CD1-CD1 3.83Å; F115-L125 HydrophobicContact CD2-CD1 3.96Å; F115-L125 HydrophobicContact CE1-CD1 3.55Å; F115-L125 HydrophobicContact CE1-CD2 4.38Å; F115-L125 HydrophobicContact CE1-CG 4.36Å; F115-L125 HydrophobicContact CE2-CD1 3.67Å; F115-L125 HydrophobicContact CG-CD1 4.03Å; F115-L125 HydrophobicContact CZ-CD1 3.47Å; F115-L125 VanDerWaalsContact CZ-CD1 3.47Å; F115-L125 HydrophobicContact CZ-CD2 4.48Å; L125-L134 HydrophobicContact CB-CB 4.44Å; L125-L134 HydrophobicContact CD2-CB 4.18Å; L125-L134 HydrophobicContact CD2-CD1 4.34Å; L125-L134 HydrophobicContact CG-CB 4.04Å; L125-L134 HydrophobicContact CG-CD1 4.17Å; L125-L134 PolarHBondContact O-N 3.06Å; L125-N135 HydrophobicContact CB-CB 4.4Å; L125-N135 PolarHBondContact N-O 3.18Å; L125-N135 PolarHBondContact O-N 2.95Å; L125-F137 HydrophobicContact CB-CE2 4.19Å; L125-T170 HydrophobicContact CD2-CG2 4.15Å
126	H	95.8	Very high	93.6	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	143.9	-178.4	-50.8	-97.1	0	0	0	110.8	L94 G96 K113 V114 S116 I124	L94-H126 HydrophobicContact CB-CB 4.48Å; L94-H126 HydrophobicContact CD1-CB 3.63Å; L94-H126 HydrophobicContact CG-CB 4.49Å; G96-H126 PolarHBondContact O-CE1 3.07Å; G96-H126 VanDerWaalsContact O-CE1 3.32Å; K113-H126 VanDerWaalsContact CA-O 3.31Å; K113-H126 WeakPolarHBondContact CA-O 3.34Å; V114-H126 HydrophobicContact CB-CB 4.41Å; V114-H126 PolarHBondContact N-O 2.98Å; V114-H126 PolarHBondContact O-CD2 3.2Å; V114-H126 PolarHBondContact O-N 3.13Å; S116-H126 PolarHBondContact OG-NE2 3.3Å; I124-H126 WeakPolarHBondContact CG2-CE1 3.26Å; I124-H126 WeakPolarHBondContact CG2-NE2 3.27Å; I124-H126 PolarHBondContact O-CD2 2.87Å
127	D	94.4	Very high	93.4	Very high	34 Å²	34	42 Å²	42	18%	0.182	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	131.1	168.7	-173.2	-102.9	0	0	0	110.4	E129 S130 Q131 E132 L134	D127-E129 PolarHBondContact OD1-N 3.43Å; D127-S130 VanDerWaalsContact CB-OG 3.28Å; D127-S130 WeakPolarHBondContact CB-OG 3.35Å; D127-S130 VanDerWaalsContact CG-OG 3.24Å; D127-S130 VanDerWaalsContact OD1-CB 3.28Å; D127-S130 WeakPolarHBondContact OD1-CB 3.41Å; D127-S130 PolarHBondContact OD1-N 3.38Å; D127-S130 PolarHBondContact OD1-OG 3.22Å; D127-Q131 WeakPolarHBondContact O-CA 3.16Å; D127-Q131 PolarHBondContact O-N 2.87Å; D127-E132 PolarHBondContact N-O 2.77Å; D127-L134 HydrophobicContact CB-CD1 3.94Å; D127-L134 HydrophobicContact CB-CD2 4.04Å; D127-L134 HydrophobicContact CB-CG 3.92Å
128	V	91.9	Very high	93.3	Very high	21 Å²	21	46.3 Å²	46.3	13%	0.127	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-35.2	-174.7	172	0	0	0	0	112.1	L78 F107 S112 V114	L78-V128 HydrophobicContact CD2-CG1 3.8Å; F107-V128 HydrophobicContact CE1-CG2 4.32Å; S112-V128 WeakPolarHBondContact O-CB 3.3Å; S112-V128 WeakPolarHBondContact O-CG2 2.87Å; S112-V128 PolarHBondContact O-N 2.77Å; V114-V128 HydrophobicContact CG2-CG2 3.76Å
129	E	90.4	Very high	93.3	Very high	179 Å²	179	47 Å²	47	84%	0.836	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-52.4	-175.1	-173.8	174.8	-173.9	0	0	111.9	D127	D127-E129 PolarHBondContact OD1-N 3.43Å
130	S	90.1	Very high	93.2	Very high	58 Å²	58	48.7 Å²	48.7	41%	0.406	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-17.7	-179.4	67	0	0	0	0	113.9	D127 E132	D127-S130 VanDerWaalsContact CB-OG 3.28Å; D127-S130 WeakPolarHBondContact CB-OG 3.35Å; D127-S130 VanDerWaalsContact CG-OG 3.24Å; D127-S130 VanDerWaalsContact OD1-CB 3.28Å; D127-S130 WeakPolarHBondContact OD1-CB 3.41Å; D127-S130 PolarHBondContact OD1-N 3.38Å; D127-S130 PolarHBondContact OD1-OG 3.22Å; S130-E132 PolarHBondContact O-N 2.91Å; S130-E132 PolarHBondContact OG-N 3.42Å
131	Q	91.4	Very high	93.3	Very high	67 Å²	67	51 Å²	51	31%	0.313	26%	0.264	S	S	.	.			trans	65.1	7.5	-177.1	-52.5	155.8	27.4	0	0	113.9	V92 L94 K95 D127	V92-Q131 HydrophobicContact CG1-CG 3.82Å; L94-Q131 HydrophobicContact CD2-CB 4.16Å; L94-Q131 HydrophobicContact CD2-CG 4.22Å; K95-Q131 VanDerWaalsContact CB-O 3.28Å; K95-Q131 WeakPolarHBondContact CB-O 2.82Å; K95-Q131 WeakPolarHBondContact CG-O 3.29Å; K95-Q131 PolarHBondContact N-O 3.49Å; D127-Q131 WeakPolarHBondContact O-CA 3.16Å; D127-Q131 PolarHBondContact O-N 2.87Å
132	E	92.6	Very high	93.3	Very high	88 Å²	88	47 Å²	47	41%	0.411	25%	0.247	S	C	.	.			trans	-78.8	155.7	179.9	-68.5	-67	167.4	0	0	112	K95 D127 S130	K95-E132 HydrophobicContact CD-CG 4.5Å; K95-E132 WeakPolarHBondContact CD-OE1 2.73Å; K95-E132 WeakPolarHBondContact CD-OE2 3.44Å; K95-E132 IonicContact NZ-OE1 3.57Å; K95-E132 PolarHBondContact NZ-OE1 3.5Å; D127-E132 PolarHBondContact N-O 2.77Å; S130-E132 PolarHBondContact O-N 2.91Å; S130-E132 PolarHBondContact OG-N 3.42Å
133	T	93.7	Very high	93.4	Very high	54 Å²	54	45.3 Å²	45.3	33%	0.331	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	120.5	169	-57.3	0	0	0	0	109.9	G96 I124 V136	G96-T133 WeakPolarHBondContact CA-OG1 3.36Å; G96-T133 PolarHBondContact N-OG1 2.87Å; I124-T133 HydrophobicContact CG2-CG2 3.57Å; T133-V136 HydrophobicContact CG2-CG2 4.11Å
134	L	91.8	Very high	93.4	Very high	83 Å²	83	47.3 Å²	47.3	44%	0.435	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	-43.9	178.4	-63.7	179.3	0	0	0	112.1	K113 L125 D127	K113-L134 HydrophobicContact CD-CD1 4.17Å; K113-L134 HydrophobicContact CG-CD1 4.09Å; L125-L134 HydrophobicContact CB-CB 4.44Å; L125-L134 HydrophobicContact CD2-CB 4.18Å; L125-L134 HydrophobicContact CD2-CD1 4.34Å; L125-L134 HydrophobicContact CG-CB 4.04Å; L125-L134 HydrophobicContact CG-CD1 4.17Å; L125-L134 PolarHBondContact O-N 3.06Å; D127-L134 HydrophobicContact CB-CD1 3.94Å; D127-L134 HydrophobicContact CB-CD2 4.04Å; D127-L134 HydrophobicContact CB-CG 3.92Å
135	N	91.6	Very high	93.3	Very high	40 Å²	40	48 Å²	48	21%	0.214	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160	162.1	-179.1	-151.5	-10.7	0	0	0	112.3	L125 F137 S174	L125-N135 HydrophobicContact CB-CB 4.4Å; L125-N135 PolarHBondContact N-O 3.18Å; L125-N135 PolarHBondContact O-N 2.95Å; N135-F137 HydrophobicContact CB-CE2 4.05Å; N135-F137 HydrophobicContact CB-CZ 4.04Å; N135-S174 VanDerWaalsContact OD1-CB 3.25Å; N135-S174 WeakPolarHBondContact OD1-CB 3.46Å; N135-S174 PolarHBondContact OD1-OG 3.23Å
136	V	93.5	Very high	93.3	Very high	43 Å²	43	48 Å²	48	26%	0.261	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	125.4	176.7	-178.8	0	0	0	0	109.3	Q122 V123 I124 T133 L138 S174	Q122-V136 HydrophobicContact CB-CG1 4.16Å; Q122-V136 HydrophobicContact CG-CG1 3.97Å; V123-V136 CarbonylContact O-C 3.59Å; V123-V136 WeakPolarHBondContact O-CA 3.16Å; I124-V136 HydrophobicContact CG1-CG1 4.47Å; I124-V136 HydrophobicContact CG1-CG2 4.31Å; I124-V136 HydrophobicContact CG2-CG2 4.36Å; T133-V136 HydrophobicContact CG2-CG2 4.11Å; V136-L138 HydrophobicContact CG1-CD2 4.1Å; V136-S174 WeakPolarHBondContact O-CB 3.21Å
137	F	93.4	Very high	93.3	Very high	1 Å²	1	48.7 Å²	48.7	0%	0.004	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	118.5	180	-53.4	-89.6	0	0	0	110.3	V123 L125 N135 H139 F156 W168 T170	V123-F137 HydrophobicContact CB-CB 4.26Å; V123-F137 HydrophobicContact CB-CD2 4.46Å; V123-F137 HydrophobicContact CG1-CD2 4.48Å; V123-F137 PolarHBondContact N-O 2.74Å; V123-F137 PolarHBondContact O-N 3.07Å; L125-F137 HydrophobicContact CB-CE2 4.19Å; N135-F137 HydrophobicContact CB-CE2 4.05Å; N135-F137 HydrophobicContact CB-CZ 4.04Å; F137-H139 PolarHBondContact O-ND1 2.7Å; F137-F156 HydrophobicContact CB-CZ 4.26Å; F137-F156 HydrophobicContact CD1-CE1 4.42Å; F137-F156 HydrophobicContact CD1-CZ 4.4Å; F137-F156 AromaticContact CD2-CE1 3.89Å; F137-F156 HydrophobicContact CD2-CE1 3.89Å; F137-F156 AromaticContact CD2-CZ 3.76Å; F137-F156 HydrophobicContact CD2-CZ 3.76Å; F137-F156 HydrophobicContact CE1-CE1 4.38Å; F137-F156 AromaticContact CE2-CE1 3.86Å; F137-F156 HydrophobicContact CE2-CE1 3.86Å; F137-F156 HydrophobicContact CE2-CZ 4.22Å; F137-F156 HydrophobicContact CG-CE1 4.2Å; F137-F156 AromaticContact CG-CZ 3.88Å; F137-F156 HydrophobicContact CG-CZ 3.88Å; F137-F156 HydrophobicContact CZ-CE1 4.12Å; F137-W168 HydrophobicContact CB-CD2 4.44Å; F137-W168 HydrophobicContact CB-CE3 4.32Å; F137-W168 HydrophobicContact CB-CZ3 4.37Å; F137-W168 HydrophobicContact CD1-CD2 4.32Å; F137-W168 AromaticContact CD1-CE3 3.75Å; F137-W168 HydrophobicContact CD1-CE3 3.75Å; F137-W168 HydrophobicContact CD1-CZ3 4.21Å; F137-W168 HydrophobicContact CG-CE3 4.41Å; F137-T170 HydrophobicContact CE2-CG2 4.18Å; F137-T170 HydrophobicContact CZ-CG2 3.71Å
138	L	92.8	Very high	93.3	Very high	89 Å²	89	47.9 Å²	47.9	47%	0.466	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	138.6	-174.6	-55.7	-178.2	0	0	0	111.6	Q122 V136 W168	Q122-L138 HydrophobicContact CG-CD2 3.7Å; V136-L138 HydrophobicContact CG1-CD2 4.1Å; L138-W168 WeakPolarHBondContact O-CH2 3.23Å
139	H	92.9	Very high	93.4	Very high	16 Å²	16	47.3 Å²	47.3	7%	0.074	25%	0.249	C	C	.	.			trans	-118	168.5	174.8	-67.1	63.1	0	0	0	109.7	E121 F137 D141 V143 S158 S160 W168	E121-H139 WeakPolarHBondContact O-CB 3.5Å; E121-H139 PolarHBondContact O-N 3.21Å; F137-H139 PolarHBondContact O-ND1 2.7Å; H139-D141 WeakPolarHBondContact CB-O 3.2Å; H139-V143 HydrophobicContact CB-CG2 3.91Å; H139-S158 WeakPolarHBondContact NE2-CB 3.21Å; H139-S158 PolarHBondContact NE2-OG 2.9Å; H139-S160 PolarHBondContact CD2-OG 3.26Å; H139-W168 AromaticContact CE1-CE2 3.67Å; H139-W168 AromaticContact CE1-CZ2 3.56Å; H139-W168 AromaticContact CE1-NE1 3.51Å; H139-W168 AromaticContact NE2-CE2 3.68Å; H139-W168 AromaticContact NE2-CZ2 3.69Å; H139-W168 AromaticContact NE2-NE1 3.19Å; H139-W168 PolarHBondContact NE2-NE1 3.49Å; H139-W168 VanDerWaalsContact NE2-NE1 3.19Å
140	I	92.3	Very high	93.3	Very high	98 Å²	98	41.1 Å²	41.1	50%	0.503	23%	0.225	S	C	.	.	S	Bend	trans	-79.7	-39.4	178.2	-63.2	173.2	0	0	0	110.8	D162	I140-D162 HydrophobicContact CB-CB 4.28Å; I140-D162 HydrophobicContact CG2-CB 4.45Å
141	D	95.4	Very high	93.3	Very high	62 Å²	62	43.3 Å²	43.3	33%	0.332	24%	0.235	S	C	.	.	S	Bend	trans	-134.8	177.7	177.8	-68.4	-57.7	0	0	0	110.5	H139 D161 D162	H139-D141 WeakPolarHBondContact CB-O 3.2Å; D141-D161 HydrophobicContact CB-CB 3.88Å; D141-D162 HydrophobicContact CB-CB 3.97Å; D141-D162 WeakPolarHBondContact OD2-CA 2.8Å; D141-D162 WeakPolarHBondContact OD2-CB 3.21Å
142	A	94.6	Very high	93.3	Very high	7 Å²	7	42.4 Å²	42.4	6%	0.058	23%	0.233	C	C	.	.			trans	-47.7	138.7	-178	0	0	0	0	0	114.1	N119 Y144 S160 D161	N119-A142 VanDerWaalsContact OD1-CB 3.3Å; N119-A142 WeakPolarHBondContact OD1-CB 3.49Å; A142-Y144 HydrophobicContact CB-CE1 4.45Å; A142-S160 CarbonylContact O-C 3.57Å; A142-S160 WeakPolarHBondContact O-CA 3.18Å; A142-S160 WeakPolarHBondContact O-CB 3.14Å; A142-D161 HydrophobicContact CB-CB 4.29Å; A142-D161 PolarHBondContact O-N 2.68Å
143	V	96.2	Very high	93.2	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	113.9	178.5	-173.4	0	0	0	0	109.7	G118 V123 H139 L146	G118-V143 PolarHBondContact O-N 2.6Å; V123-V143 HydrophobicContact CG2-CB 4.39Å; V123-V143 HydrophobicContact CG2-CG1 3.96Å; V123-V143 HydrophobicContact CG2-CG2 4.04Å; H139-V143 HydrophobicContact CB-CG2 3.91Å; V143-L146 HydrophobicContact CG1-CD2 4.13Å; V143-L146 HydrophobicContact CG1-CG 4.21Å
144	Y	94.4	Very high	93.1	Very high	42 Å²	42	38.6 Å²	38.6	17%	0.165	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	-24.4	-175.9	-66.7	-57.6	0	0	0	114.3	F103 C104 A142 S159 D161 A187 H189 M280	F103-Y144 AromaticContact CD2-CD1 3.89Å; F103-Y144 HydrophobicContact CD2-CD1 3.89Å; F103-Y144 HydrophobicContact CD2-CE1 4.14Å; F103-Y144 HydrophobicContact CE2-CD1 4.27Å; F103-Y144 HydrophobicContact CE2-CE1 4.05Å; F103-Y144 HydrophobicContact CG-CD1 4.4Å; C104-Y144 WeakPolarHBondContact CB-O 2.74Å; A142-Y144 HydrophobicContact CB-CE1 4.45Å; Y144-S159 PolarHBondContact N-O 3.48Å; Y144-D161 HydrophobicContact CD2-CB 4.36Å; Y144-D161 HydrophobicContact CE2-CB 3.45Å; Y144-D161 VanDerWaalsContact CE2-CB 3.45Å; Y144-D161 WeakPolarHBondContact CE2-OD1 3.42Å; Y144-D161 VanDerWaalsContact OH-CG 3.22Å; Y144-D161 PolarHBondContact OH-OD1 3.25Å; Y144-A187 HydrophobicContact CE2-CB 4.28Å; Y144-H189 WeakPolarHBondContact CB-O 3.36Å; Y144-M280 HydrophobicContact CD1-CE 4.48Å; Y144-M280 HydrophobicContact CD1-SD 4.1Å; Y144-M280 HydrophobicContact CE1-SD 4.29Å; Y144-M280 HydrophobicContact CG-CE 4.5Å
145	S	94.8	Very high	93.2	Very high	18 Å²	18	36.7 Å²	36.7	13%	0.126	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	149.3	-177.6	-162.9	0	0	0	0	112.5	S158 S159 S190 V191	S145-S158 WeakPolarHBondContact O-CA 3.48Å; S145-S159 VanDerWaalsContact CB-OG 3.28Å; S145-S159 WeakPolarHBondContact CB-OG 2.86Å; S145-S159 PolarHBondContact N-OG 3.09Å; S145-S159 PolarHBondContact O-N 3.15Å; S145-S190 VanDerWaalsContact CB-CA 3.44Å; S145-V191 PolarHBondContact OG-N 3.17Å
146	L	95.3	Very high	93.3	Very high	9 Å²	9	34.8 Å²	34.8	5%	0.047	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	146.1	-179.7	-69	164.3	0	0	0	109.5	C104 A106 F115 V123 V143 F156 A157	C104-L146 HydrophobicContact CB-CG 4.48Å; C104-L146 VanDerWaalsContact SG-CD1 3.55Å; C104-L146 VanDerWaalsContact SG-CG 3.54Å; A106-L146 HydrophobicContact CB-CB 4.48Å; F115-L146 HydrophobicContact CB-CD1 4.33Å; V123-L146 HydrophobicContact CB-CD2 4.49Å; V123-L146 HydrophobicContact CG1-CD1 3.79Å; V123-L146 HydrophobicContact CG1-CD2 3.98Å; V123-L146 HydrophobicContact CG2-CD1 4.17Å; V123-L146 HydrophobicContact CG2-CD2 3.67Å; V123-L146 HydrophobicContact CG2-CG 4.44Å; V143-L146 HydrophobicContact CG1-CD2 4.13Å; V143-L146 HydrophobicContact CG1-CG 4.21Å; L146-F156 HydrophobicContact CD2-CD2 3.71Å; L146-F156 HydrophobicContact CD2-CE2 3.74Å; L146-A157 CarbonylContact C-O 3.5Å; L146-A157 VanDerWaalsContact CA-O 3.31Å; L146-A157 WeakPolarHBondContact CA-O 3.4Å
147	S	95.2	Very high	93.5	Very high	14 Å²	14	32.7 Å²	32.7	10%	0.098	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	124.6	170.9	-172.3	0	0	0	0	109.6	F156 A157 F193	S147-F156 CarbonylContact O-C 3.56Å; S147-F156 WeakPolarHBondContact O-CA 3.43Å; S147-A157 PolarHBondContact N-O 3.44Å; S147-A157 PolarHBondContact O-N 3.28Å; S147-F193 WeakPolarHBondContact O-CD2 3.05Å; S147-F193 WeakPolarHBondContact O-CE2 3.34Å; S147-F193 PolarHBondContact OG-N 2.98Å
148	V	95	Very high	93.6	Very high	17 Å²	17	32.7 Å²	32.7	10%	0.103	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	147.4	172	-175.9	0	0	0	0	109.2	A106 F115 F156 F193	A106-V148 HydrophobicContact CB-CG2 3.97Å; F115-V148 HydrophobicContact CD2-CG2 3.56Å; F115-V148 HydrophobicContact CE2-CG2 3.61Å; F115-V148 HydrophobicContact CG-CG2 4.29Å; F115-V148 HydrophobicContact CZ-CG2 4.37Å; V148-F156 HydrophobicContact CG2-CB 4.31Å; V148-F193 WeakPolarHBondContact O-CD2 3.48Å
149	S	93.1	Very high	93.8	Very high	8 Å²	8	28.5 Å²	28.5	6%	0.056	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	132.3	175.5	173	0	0	0	0	110.5	V151 N152 I155	S149-V151 PolarHBondContact O-N 2.68Å; S149-V151 VanDerWaalsContact O-N 3.14Å; S149-V151 WeakPolarHBondContact OG-CG2 3.48Å; S149-N152 WeakPolarHBondContact CB-O 3.2Å; S149-N152 PolarHBondContact O-N 3.16Å; S149-I155 WeakPolarHBondContact CB-O 2.9Å; S149-I155 PolarHBondContact N-O 3.22Å
150	P	89.3	Confident	93.9	Very high	50 Å²	50	27.7 Å²	27.7	33%	0.325	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-9.4	-177.7	29.6	-36.2	0	0	0	113.7	P198	P150-P198 HydrophobicContact CG-CB 4.14Å
151	V	89.3	Confident	94	Very high	103 Å²	103	26.2 Å²	26.2	62%	0.624	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116.8	-12.6	-177.9	-62.7	0	0	0	0	113.9	S149 P198	S149-V151 PolarHBondContact O-N 2.68Å; S149-V151 VanDerWaalsContact O-N 3.14Å; S149-V151 WeakPolarHBondContact OG-CG2 3.48Å; V151-P198 HydrophobicContact CG1-CB 4.11Å; V151-P198 HydrophobicContact CG1-CG 3.86Å; V151-P198 HydrophobicContact CG2-CB 3.61Å; V151-P198 HydrophobicContact CG2-CG 3.84Å
152	N	91.4	Very high	94	Very high	48 Å²	48	24.7 Å²	24.7	26%	0.257	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	104.6	-177.5	-175.6	-9.4	0	0	0	110.9	S149 S154 I155	S149-N152 WeakPolarHBondContact CB-O 3.2Å; S149-N152 PolarHBondContact O-N 3.16Å; N152-S154 PolarHBondContact O-N 3.5Å; N152-S154 WeakPolarHBondContact OD1-CB 3.19Å; N152-S154 PolarHBondContact OD1-N 3.39Å; N152-I155 HydrophobicContact CB-CD1 4.29Å; N152-I155 HydrophobicContact CB-CG1 4.44Å; N152-I155 WeakPolarHBondContact ND2-CD1 3.34Å; N152-I155 PolarHBondContact O-N 2.9Å
153	D	91.4	Very high	93.9	Very high	37 Å²	37	24.4 Å²	24.4	20%	0.198	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	-14.3	-179.6	-68	-21.4	0	0	0	114.2	D108 S109 I155	D108-D153 HydrophobicContact CB-CB 4.02Å; S109-D153 WeakPolarHBondContact CB-OD1 3.3Å; S109-D153 PolarHBondContact N-OD1 3.18Å; S109-D153 PolarHBondContact OG-OD1 3.15Å; S109-D153 PolarHBondContact OG-OD2 3.01Å; D153-I155 VanDerWaalsContact C-N 3.32Å
154	S	91	Very high	93.9	Very high	26 Å²	26	29 Å²	29	18%	0.182	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	-12.6	175.7	-55.8	0	0	0	0	113.3	N152 T170	N152-S154 PolarHBondContact O-N 3.5Å; N152-S154 WeakPolarHBondContact OD1-CB 3.19Å; N152-S154 PolarHBondContact OD1-N 3.39Å; S154-T170 WeakPolarHBondContact CA-OG1 3.31Å; S154-T170 WeakPolarHBondContact CB-OG1 3.36Å; S154-T170 WeakPolarHBondContact O-CB 3.45Å; S154-T170 WeakPolarHBondContact O-CG2 3.38Å; S154-T170 PolarHBondContact O-N 3.33Å; S154-T170 PolarHBondContact O-OG1 3.15Å
155	I	93.6	Very high	94	Very high	42 Å²	42	27 Å²	27	22%	0.215	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	129.8	-174.1	-61.3	176.6	0	0	0	110.3	S149 N152 D153 I167 W168 F193	S149-I155 WeakPolarHBondContact CB-O 2.9Å; S149-I155 PolarHBondContact N-O 3.22Å; N152-I155 HydrophobicContact CB-CD1 4.29Å; N152-I155 HydrophobicContact CB-CG1 4.44Å; N152-I155 WeakPolarHBondContact ND2-CD1 3.34Å; N152-I155 PolarHBondContact O-N 2.9Å; D153-I155 VanDerWaalsContact C-N 3.32Å; I155-I167 HydrophobicContact CG2-CG2 3.64Å; I155-W168 WeakPolarHBondContact CA-O 3.49Å; I155-F193 HydrophobicContact CG2-CZ 4.46Å
156	F	95.4	Very high	94	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	155.3	172	75.4	-87.1	0	0	0	112	F115 V123 F137 L146 S147 V148 I167 W168 T170	F115-F156 AromaticContact CD1-CD1 3.92Å; F115-F156 HydrophobicContact CD1-CD1 3.92Å; F115-F156 HydrophobicContact CD1-CE1 4.18Å; F115-F156 HydrophobicContact CD1-CG 4.11Å; F115-F156 HydrophobicContact CE1-CB 4.35Å; F115-F156 AromaticContact CE1-CD1 3.43Å; F115-F156 HydrophobicContact CE1-CD1 3.43Å; F115-F156 VanDerWaalsContact CE1-CD1 3.43Å; F115-F156 AromaticContact CE1-CE1 3.85Å; F115-F156 HydrophobicContact CE1-CE1 3.85Å; F115-F156 AromaticContact CE1-CG 3.97Å; F115-F156 HydrophobicContact CE1-CG 3.97Å; F115-F156 HydrophobicContact CZ-CD1 4.28Å; V123-F156 HydrophobicContact CB-CE2 4.36Å; V123-F156 HydrophobicContact CB-CZ 4.38Å; V123-F156 HydrophobicContact CG1-CE2 3.91Å; V123-F156 HydrophobicContact CG1-CZ 4.01Å; V123-F156 HydrophobicContact CG2-CE2 4.3Å; F137-F156 HydrophobicContact CB-CZ 4.26Å; F137-F156 HydrophobicContact CD1-CE1 4.42Å; F137-F156 HydrophobicContact CD1-CZ 4.4Å; F137-F156 AromaticContact CD2-CE1 3.89Å; F137-F156 HydrophobicContact CD2-CE1 3.89Å; F137-F156 AromaticContact CD2-CZ 3.76Å; F137-F156 HydrophobicContact CD2-CZ 3.76Å; F137-F156 HydrophobicContact CE1-CE1 4.38Å; F137-F156 AromaticContact CE2-CE1 3.86Å; F137-F156 HydrophobicContact CE2-CE1 3.86Å; F137-F156 HydrophobicContact CE2-CZ 4.22Å; F137-F156 HydrophobicContact CG-CE1 4.2Å; F137-F156 AromaticContact CG-CZ 3.88Å; F137-F156 HydrophobicContact CG-CZ 3.88Å; F137-F156 HydrophobicContact CZ-CE1 4.12Å; L146-F156 HydrophobicContact CD2-CD2 3.71Å; L146-F156 HydrophobicContact CD2-CE2 3.74Å; S147-F156 CarbonylContact O-C 3.56Å; S147-F156 WeakPolarHBondContact O-CA 3.43Å; V148-F156 HydrophobicContact CG2-CB 4.31Å; F156-I167 WeakPolarHBondContact O-CA 3.35Å; F156-W168 HydrophobicContact CD1-CB 3.81Å; F156-W168 HydrophobicContact CD2-CB 4.43Å; F156-W168 HydrophobicContact CE1-CB 3.34Å; F156-W168 AromaticContact CE1-CG 3.94Å; F156-W168 HydrophobicContact CE1-CG 3.94Å; F156-W168 HydrophobicContact CE2-CB 4.02Å; F156-W168 AromaticContact CE2-CD1 3.47Å; F156-W168 VanDerWaalsContact CE2-CD1 3.47Å; F156-W168 AromaticContact CE2-CG 3.86Å; F156-W168 HydrophobicContact CE2-CG 3.86Å; F156-W168 HydrophobicContact CG-CB 4.34Å; F156-W168 HydrophobicContact CZ-CB 3.46Å; F156-W168 VanDerWaalsContact CZ-CB 3.46Å; F156-W168 AromaticContact CZ-CD1 3.6Å; F156-W168 HydrophobicContact CZ-CD2 4.27Å; F156-W168 AromaticContact CZ-CG 3.49Å; F156-W168 HydrophobicContact CZ-CG 3.49Å; F156-W168 VanDerWaalsContact CZ-CG 3.49Å; F156-W168 PolarHBondContact N-O 3.37Å; F156-W168 VanDerWaalsContact N-O 3.12Å; F156-W168 PolarHBondContact O-N 3.36Å; F156-T170 HydrophobicContact CD1-CG2 3.92Å; F156-T170 HydrophobicContact CE1-CG2 3.97Å
157	A	96.6	Very high	94	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	140.6	173.7	0	0	0	0	0	110.1	L146 S147 L166 I167 V191 F193 L201	L146-A157 CarbonylContact C-O 3.5Å; L146-A157 VanDerWaalsContact CA-O 3.31Å; L146-A157 WeakPolarHBondContact CA-O 3.4Å; S147-A157 PolarHBondContact N-O 3.44Å; S147-A157 PolarHBondContact O-N 3.28Å; A157-L166 CarbonylContact C-O 3.59Å; A157-L166 VanDerWaalsContact CA-O 3.24Å; A157-L166 WeakPolarHBondContact CA-O 3.48Å; A157-I167 HydrophobicContact CB-CG1 4.37Å; A157-V191 HydrophobicContact CB-CG1 4.48Å; A157-V191 HydrophobicContact CB-CG2 4.03Å; A157-F193 HydrophobicContact CB-CD2 4.25Å; A157-F193 HydrophobicContact CB-CE2 3.52Å; A157-F193 HydrophobicContact CB-CZ 3.98Å; A157-L201 HydrophobicContact CB-CD2 3.61Å
158	S	96.7	Very high	94	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.007	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	148.3	175.2	61.7	0	0	0	0	111.2	H139 S145 V165 L166 W168	H139-S158 WeakPolarHBondContact NE2-CB 3.21Å; H139-S158 PolarHBondContact NE2-OG 2.9Å; S145-S158 WeakPolarHBondContact O-CA 3.48Å; S158-V165 WeakPolarHBondContact O-CA 3.27Å; S158-L166 PolarHBondContact N-O 2.8Å; S158-L166 PolarHBondContact O-N 3.05Å; S158-W168 PolarHBondContact OG-NE1 2.89Å; S158-W168 VanDerWaalsContact OG-NE1 3.13Å
159	S	96.1	Very high	93.9	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	131.8	171.7	65.7	0	0	0	0	111	Y144 S145 F188	Y144-S159 PolarHBondContact N-O 3.48Å; S145-S159 VanDerWaalsContact CB-OG 3.28Å; S145-S159 WeakPolarHBondContact CB-OG 2.86Å; S145-S159 PolarHBondContact N-OG 3.09Å; S145-S159 PolarHBondContact O-N 3.15Å; S159-F188 WeakPolarHBondContact CB-O 3.47Å; S159-F188 PolarHBondContact OG-O 2.94Å
160	S	94.7	Very high	93.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	162.8	-170.6	-68.8	0	0	0	0	113.7	H139 A142 D162 G163 R164 F188	H139-S160 PolarHBondContact CD2-OG 3.26Å; A142-S160 CarbonylContact O-C 3.57Å; A142-S160 WeakPolarHBondContact O-CA 3.18Å; A142-S160 WeakPolarHBondContact O-CB 3.14Å; S160-D162 WeakPolarHBondContact CB-OD1 3.27Å; S160-D162 PolarHBondContact O-N 2.88Å; S160-G163 PolarHBondContact O-N 3.32Å; S160-R164 PolarHBondContact N-O 3.12Å; S160-R164 VanDerWaalsContact N-O 3.15Å; S160-F188 PolarHBondContact O-N 3.43Å; S160-F188 VanDerWaalsContact O-N 3.1Å
161	D	95.4	Very high	93.7	Very high	67 Å²	67	34.4 Å²	34.4	36%	0.358	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-27.6	176.6	-159.7	55	0	0	0	112.7	D141 A142 Y144 G163 A187	D141-D161 HydrophobicContact CB-CB 3.88Å; A142-D161 HydrophobicContact CB-CB 4.29Å; A142-D161 PolarHBondContact O-N 2.68Å; Y144-D161 HydrophobicContact CD2-CB 4.36Å; Y144-D161 HydrophobicContact CE2-CB 3.45Å; Y144-D161 VanDerWaalsContact CE2-CB 3.45Å; Y144-D161 WeakPolarHBondContact CE2-OD1 3.42Å; Y144-D161 VanDerWaalsContact OH-CG 3.22Å; Y144-D161 PolarHBondContact OH-OD1 3.25Å; D161-G163 PolarHBondContact O-N 3.08Å; D161-A187 HydrophobicContact CB-CB 4.49Å; D161-A187 WeakPolarHBondContact O-CA 3.39Å; D161-A187 WeakPolarHBondContact O-CB 3.18Å; D161-A187 VanDerWaalsContact OD1-CB 3.23Å; D161-A187 WeakPolarHBondContact OD1-CB 3.34Å
162	D	94.4	Very high	93.5	Very high	30 Å²	30	34.4 Å²	34.4	16%	0.16	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-3.5	174.6	75.1	-11.7	0	0	0	113.8	I140 D141 S160 R164	I140-D162 HydrophobicContact CB-CB 4.28Å; I140-D162 HydrophobicContact CG2-CB 4.45Å; D141-D162 HydrophobicContact CB-CB 3.97Å; D141-D162 WeakPolarHBondContact OD2-CA 2.8Å; D141-D162 WeakPolarHBondContact OD2-CB 3.21Å; S160-D162 WeakPolarHBondContact CB-OD1 3.27Å; S160-D162 PolarHBondContact O-N 2.88Å; D162-R164 VanDerWaalsContact OD1-CB 3.31Å; D162-R164 WeakPolarHBondContact OD1-CB 3.5Å; D162-R164 PolarHBondContact OD1-N 3.4Å; D162-R164 WeakPolarHBondContact OD2-CD 3.21Å
163	G	93.6	Very high	92.8	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.181	C	C	.	.	S	Bend	trans	77.3	19.8	179.4	0	0	0	0	0	113.6	S160 D161 S183 Y184 S186 F188	S160-G163 PolarHBondContact O-N 3.32Å; D161-G163 PolarHBondContact O-N 3.08Å; G163-S183 CarbonylContact O-C 3.57Å; G163-S183 WeakPolarHBondContact O-CA 3.21Å; G163-Y184 WeakPolarHBondContact CA-O 3.21Å; G163-Y184 PolarHBondContact O-N 3.11Å; G163-S186 VanDerWaalsContact CA-O 3.31Å; G163-S186 WeakPolarHBondContact CA-O 3.39Å; G163-F188 WeakPolarHBondContact O-CD2 2.86Å; G163-F188 VanDerWaalsContact O-CE2 3.23Å; G163-F188 WeakPolarHBondContact O-CE2 3.23Å
164	R	95.1	Very high	91.7	Very high	98 Å²	98	36.6 Å²	36.6	37%	0.37	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	150.9	173.7	-59.4	-177.8	-179.1	178.9	2.4	112.6	S160 D162 L166 A182	S160-R164 PolarHBondContact N-O 3.12Å; S160-R164 VanDerWaalsContact N-O 3.15Å; D162-R164 VanDerWaalsContact OD1-CB 3.31Å; D162-R164 WeakPolarHBondContact OD1-CB 3.5Å; D162-R164 PolarHBondContact OD1-N 3.4Å; D162-R164 WeakPolarHBondContact OD2-CD 3.21Å; R164-L166 HydrophobicContact CB-CD2 4.07Å; R164-L166 HydrophobicContact CB-CG 4.22Å; R164-A182 VanDerWaalsContact CA-O 3.29Å; R164-A182 WeakPolarHBondContact CA-O 3.11Å
165	V	96.8	Very high	90.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	116.6	163.9	179.8	0	0	0	0	107.3	S158 L181 A182 F188 V191 T203	S158-V165 WeakPolarHBondContact O-CA 3.27Å; V165-L181 HydrophobicContact CB-CB 4.46Å; V165-L181 HydrophobicContact CG1-CB 4.31Å; V165-L181 HydrophobicContact CG1-CD2 4.12Å; V165-L181 PolarHBondContact O-N 3.45Å; V165-A182 HydrophobicContact CB-CB 4.12Å; V165-A182 HydrophobicContact CG2-CB 4.21Å; V165-A182 PolarHBondContact N-O 3.49Å; V165-A182 PolarHBondContact O-N 3.48Å; V165-F188 HydrophobicContact CG2-CB 4.01Å; V165-F188 HydrophobicContact CG2-CD1 3.95Å; V165-F188 HydrophobicContact CG2-CD2 3.7Å; V165-F188 HydrophobicContact CG2-CE1 4.31Å; V165-F188 HydrophobicContact CG2-CE2 4.09Å; V165-F188 HydrophobicContact CG2-CG 3.63Å; V165-F188 HydrophobicContact CG2-CZ 4.37Å; V165-V191 HydrophobicContact CG1-CG2 3.95Å; V165-T203 HydrophobicContact CG1-CG2 4.45Å; V165-T203 HydrophobicContact CG2-CG2 3.97Å
166	L	95.6	Very high	89.6	Confident	11 Å²	11	42.6 Å²	42.6	6%	0.058	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	142.3	-172.6	-58.4	178.5	0	0	0	109.9	A157 S158 R164 W168 P178 F179 C180	A157-L166 CarbonylContact C-O 3.59Å; A157-L166 VanDerWaalsContact CA-O 3.24Å; A157-L166 WeakPolarHBondContact CA-O 3.48Å; S158-L166 PolarHBondContact N-O 2.8Å; S158-L166 PolarHBondContact O-N 3.05Å; R164-L166 HydrophobicContact CB-CD2 4.07Å; R164-L166 HydrophobicContact CB-CG 4.22Å; L166-W168 HydrophobicContact CD1-CZ2 3.89Å; L166-P178 HydrophobicContact CB-CB 4.21Å; L166-P178 HydrophobicContact CB-CG 4.44Å; L166-P178 HydrophobicContact CD1-CB 4.49Å; L166-P178 HydrophobicContact CD1-CG 3.86Å; L166-P178 HydrophobicContact CD2-CG 4.16Å; L166-P178 HydrophobicContact CG-CG 4.37Å; L166-F179 CarbonylContact C-O 3.53Å; L166-F179 WeakPolarHBondContact CA-O 3.49Å; L166-C180 HydrophobicContact CD2-CB 3.93Å
167	I	95	Very high	88.9	Confident	23 Å²	23	51.6 Å²	51.6	12%	0.118	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	126.1	171.3	-57.7	-179.1	0	0	0	107.6	I155 F156 A157 F179 L181 I215	I155-I167 HydrophobicContact CG2-CG2 3.64Å; F156-I167 WeakPolarHBondContact O-CA 3.35Å; A157-I167 HydrophobicContact CB-CG1 4.37Å; I167-F179 HydrophobicContact CB-CB 4.22Å; I167-F179 HydrophobicContact CB-CD1 4.05Å; I167-F179 HydrophobicContact CD1-CD1 3.87Å; I167-F179 HydrophobicContact CD1-CE1 4.16Å; I167-F179 HydrophobicContact CG1-CD1 4.13Å; I167-F179 PolarHBondContact N-O 2.97Å; I167-F179 PolarHBondContact O-N 3.4Å; I167-L181 HydrophobicContact CD1-CB 4.4Å; I167-L181 HydrophobicContact CD1-CD2 4.42Å; I167-L181 HydrophobicContact CG1-CB 4.47Å; I167-I215 HydrophobicContact CD1-CB 4.44Å; I167-I215 HydrophobicContact CD1-CG2 3.63Å
168	W	94.3	Very high	88.6	Confident	17 Å²	17	53.6 Å²	53.6	6%	0.064	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	144.3	-174.5	-64.8	89.9	0	0	0	110.6	F137 L138 H139 I155 F156 S158 L166 P178	F137-W168 HydrophobicContact CB-CD2 4.44Å; F137-W168 HydrophobicContact CB-CE3 4.32Å; F137-W168 HydrophobicContact CB-CZ3 4.37Å; F137-W168 HydrophobicContact CD1-CD2 4.32Å; F137-W168 AromaticContact CD1-CE3 3.75Å; F137-W168 HydrophobicContact CD1-CE3 3.75Å; F137-W168 HydrophobicContact CD1-CZ3 4.21Å; F137-W168 HydrophobicContact CG-CE3 4.41Å; L138-W168 WeakPolarHBondContact O-CH2 3.23Å; H139-W168 AromaticContact CE1-CE2 3.67Å; H139-W168 AromaticContact CE1-CZ2 3.56Å; H139-W168 AromaticContact CE1-NE1 3.51Å; H139-W168 AromaticContact NE2-CE2 3.68Å; H139-W168 AromaticContact NE2-CZ2 3.69Å; H139-W168 AromaticContact NE2-NE1 3.19Å; H139-W168 PolarHBondContact NE2-NE1 3.49Å; H139-W168 VanDerWaalsContact NE2-NE1 3.19Å; I155-W168 WeakPolarHBondContact CA-O 3.49Å; F156-W168 HydrophobicContact CD1-CB 3.81Å; F156-W168 HydrophobicContact CD2-CB 4.43Å; F156-W168 HydrophobicContact CE1-CB 3.34Å; F156-W168 AromaticContact CE1-CG 3.94Å; F156-W168 HydrophobicContact CE1-CG 3.94Å; F156-W168 HydrophobicContact CE2-CB 4.02Å; F156-W168 AromaticContact CE2-CD1 3.47Å; F156-W168 VanDerWaalsContact CE2-CD1 3.47Å; F156-W168 AromaticContact CE2-CG 3.86Å; F156-W168 HydrophobicContact CE2-CG 3.86Å; F156-W168 HydrophobicContact CG-CB 4.34Å; F156-W168 HydrophobicContact CZ-CB 3.46Å; F156-W168 VanDerWaalsContact CZ-CB 3.46Å; F156-W168 AromaticContact CZ-CD1 3.6Å; F156-W168 HydrophobicContact CZ-CD2 4.27Å; F156-W168 AromaticContact CZ-CG 3.49Å; F156-W168 HydrophobicContact CZ-CG 3.49Å; F156-W168 VanDerWaalsContact CZ-CG 3.49Å; F156-W168 PolarHBondContact N-O 3.37Å; F156-W168 VanDerWaalsContact N-O 3.12Å; F156-W168 PolarHBondContact O-N 3.36Å; S158-W168 PolarHBondContact OG-NE1 2.89Å; S158-W168 VanDerWaalsContact OG-NE1 3.13Å; L166-W168 HydrophobicContact CD1-CZ2 3.89Å; W168-P178 HydrophobicContact CD2-CB 3.63Å; W168-P178 HydrophobicContact CD2-CG 4.41Å; W168-P178 HydrophobicContact CE3-CB 3.71Å; W168-P178 HydrophobicContact CE3-CG 4.36Å; W168-P178 HydrophobicContact CG-CB 4.32Å; W168-P178 HydrophobicContact CH2-CB 3.82Å; W168-P178 HydrophobicContact CH2-CG 3.54Å; W168-P178 HydrophobicContact CZ2-CB 3.74Å; W168-P178 HydrophobicContact CZ2-CG 3.58Å; W168-P178 HydrophobicContact CZ3-CB 3.79Å; W168-P178 HydrophobicContact CZ3-CG 3.94Å
169	D	92.6	Very high	88.4	Confident	36 Å²	36	57.8 Å²	57.8	19%	0.193	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	114.2	168.4	-166.9	-23.5	0	0	0	109.5	R171 E172	D169-R171 PolarHBondContact O-N 2.85Å; D169-R171 VanDerWaalsContact O-N 3.15Å; D169-R171 WeakPolarHBondContact OD1-CB 3.14Å; D169-R171 IonicContact OD1-CZ 3.76Å; D169-R171 PolarHBondContact OD1-N 3.32Å; D169-R171 VanDerWaalsContact OD1-N 3.08Å; D169-R171 IonicContact OD1-NE 2.67Å; D169-R171 PolarHBondContact OD1-NE 3.06Å; D169-R171 IonicContact OD1-NH2 2.71Å; D169-R171 PolarHBondContact OD1-NH2 2.87Å; D169-R171 IonicContact OD2-CZ 3.79Å; D169-R171 IonicContact OD2-NE 2.69Å; D169-R171 PolarHBondContact OD2-NE 3.31Å; D169-R171 IonicContact OD2-NH2 3.68Å; D169-R171 PolarHBondContact OD2-NH2 2.89Å; D169-E172 HydrophobicContact CB-CG 4.2Å; D169-E172 PolarHBondContact O-N 3.41Å; D169-E172 VanDerWaalsContact O-N 3.07Å
170	T	91	Very high	88.3	Confident	23 Å²	23	59.1 Å²	59.1	14%	0.141	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-12.3	-177.2	57.5	0	0	0	0	113.8	F115 L125 F137 S154 F156 E172	F115-T170 HydrophobicContact CE1-CG2 3.79Å; F115-T170 HydrophobicContact CZ-CG2 4.05Å; L125-T170 HydrophobicContact CD2-CG2 4.15Å; F137-T170 HydrophobicContact CE2-CG2 4.18Å; F137-T170 HydrophobicContact CZ-CG2 3.71Å; S154-T170 WeakPolarHBondContact CA-OG1 3.31Å; S154-T170 WeakPolarHBondContact CB-OG1 3.36Å; S154-T170 WeakPolarHBondContact O-CB 3.45Å; S154-T170 WeakPolarHBondContact O-CG2 3.38Å; S154-T170 PolarHBondContact O-N 3.33Å; S154-T170 PolarHBondContact O-OG1 3.15Å; F156-T170 HydrophobicContact CD1-CG2 3.92Å; F156-T170 HydrophobicContact CE1-CG2 3.97Å; T170-E172 VanDerWaalsContact C-N 3.35Å
171	R	88.6	Confident	88.4	Confident	160 Å²	160	59.1 Å²	59.1	60%	0.604	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-19.1	174.7	-62.2	167.4	-66.5	175.2	2.9	112.2	D169	D169-R171 PolarHBondContact O-N 2.85Å; D169-R171 VanDerWaalsContact O-N 3.15Å; D169-R171 WeakPolarHBondContact OD1-CB 3.14Å; D169-R171 IonicContact OD1-CZ 3.76Å; D169-R171 PolarHBondContact OD1-N 3.32Å; D169-R171 VanDerWaalsContact OD1-N 3.08Å; D169-R171 IonicContact OD1-NE 2.67Å; D169-R171 PolarHBondContact OD1-NE 3.06Å; D169-R171 IonicContact OD1-NH2 2.71Å; D169-R171 PolarHBondContact OD1-NH2 2.87Å; D169-R171 IonicContact OD2-CZ 3.79Å; D169-R171 IonicContact OD2-NE 2.69Å; D169-R171 PolarHBondContact OD2-NE 3.31Å; D169-R171 IonicContact OD2-NH2 3.68Å; D169-R171 PolarHBondContact OD2-NH2 2.89Å
172	E	84.8	Confident	88.3	Confident	104 Å²	104	55.9 Å²	55.9	49%	0.486	28%	0.278	S	S	.	.	S	Bend	trans	-83.8	155.6	173.9	-64.2	-170.7	174.4	0	0	110.6	D169 T170	D169-E172 HydrophobicContact CB-CG 4.2Å; D169-E172 PolarHBondContact O-N 3.41Å; D169-E172 VanDerWaalsContact O-N 3.07Å; T170-E172 VanDerWaalsContact C-N 3.35Å
173	P	76.2	Confident	88.2	Confident	101 Å²	101	57.4 Å²	57.4	66%	0.656	29%	0.291	S	S	*	.			trans	-57.1	144.9	174.9	-20.2	31.6	0	0	0	110.9	H175 G176	P173-H175 PolarHBondContact O-N 2.83Å; P173-G176 PolarHBondContact O-N 2.84Å
174	S	68.8	Low	88.1	Confident	30 Å²	30	60 Å²	60	21%	0.21	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-17.3	-179.9	36.8	0	0	0	0	115.2	N135 V136	N135-S174 VanDerWaalsContact OD1-CB 3.25Å; N135-S174 WeakPolarHBondContact OD1-CB 3.46Å; N135-S174 PolarHBondContact OD1-OG 3.23Å; V136-S174 WeakPolarHBondContact O-CB 3.21Å
175	H	69.6	Low	87.9	Confident	166 Å²	166	61.7 Å²	61.7	77%	0.769	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	4.4	174.4	-59.4	-64.2	0	0	0	113.9	P173	P173-H175 PolarHBondContact O-N 2.83Å
176	G	71.6	Confident	87.7	Confident	27 Å²	27	62 Å²	62	28%	0.278	33%	0.327	S	S	.	.	S	Bend	trans	-66.3	153.2	175.1	0	0	0	0	0	112.3	P173 P178	P173-G176 PolarHBondContact O-N 2.84Å; G176-P178 VanDerWaalsContact O-CD 3.32Å; G176-P178 WeakPolarHBondContact O-CD 3.4Å
177	E	80	Confident	87.6	Confident	190 Å²	190	61.9 Å²	61.9	89%	0.888	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-73.8	118.2	175.1	-75.8	-162.6	153.4	0	0	110.6
178	P	89.1	Confident	87.7	Confident	41 Å²	41	60.9 Å²	60.9	27%	0.266	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-73.7	155.5	-180	30.5	-36.3	0	0	0	112.5	L166 W168 G176 C180	L166-P178 HydrophobicContact CB-CB 4.21Å; L166-P178 HydrophobicContact CB-CG 4.44Å; L166-P178 HydrophobicContact CD1-CB 4.49Å; L166-P178 HydrophobicContact CD1-CG 3.86Å; L166-P178 HydrophobicContact CD2-CG 4.16Å; L166-P178 HydrophobicContact CG-CG 4.37Å; W168-P178 HydrophobicContact CD2-CB 3.63Å; W168-P178 HydrophobicContact CD2-CG 4.41Å; W168-P178 HydrophobicContact CE3-CB 3.71Å; W168-P178 HydrophobicContact CE3-CG 4.36Å; W168-P178 HydrophobicContact CG-CB 4.32Å; W168-P178 HydrophobicContact CH2-CB 3.82Å; W168-P178 HydrophobicContact CH2-CG 3.54Å; W168-P178 HydrophobicContact CZ2-CB 3.74Å; W168-P178 HydrophobicContact CZ2-CG 3.58Å; W168-P178 HydrophobicContact CZ3-CB 3.79Å; W168-P178 HydrophobicContact CZ3-CG 3.94Å; G176-P178 VanDerWaalsContact O-CD 3.32Å; G176-P178 WeakPolarHBondContact O-CD 3.4Å; P178-C180 PolarHBondContact O-N 2.72Å
179	F	93.1	Very high	87.7	Confident	90 Å²	90	61 Å²	61	40%	0.395	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	112.6	175.9	176.7	-94.1	0	0	0	111	L166 I167 L181 I215 P218	L166-F179 CarbonylContact C-O 3.53Å; L166-F179 WeakPolarHBondContact CA-O 3.49Å; I167-F179 HydrophobicContact CB-CB 4.22Å; I167-F179 HydrophobicContact CB-CD1 4.05Å; I167-F179 HydrophobicContact CD1-CD1 3.87Å; I167-F179 HydrophobicContact CD1-CE1 4.16Å; I167-F179 HydrophobicContact CG1-CD1 4.13Å; I167-F179 PolarHBondContact N-O 2.97Å; I167-F179 PolarHBondContact O-N 3.4Å; F179-L181 HydrophobicContact CE1-CB 4.38Å; F179-L181 HydrophobicContact CE1-CD1 4.2Å; F179-L181 PolarHBondContact O-N 2.84Å; F179-I215 WeakPolarHBondContact CZ-O 3.49Å; F179-P218 HydrophobicContact CE1-CB 4.27Å; F179-P218 HydrophobicContact CE2-CB 4.28Å; F179-P218 HydrophobicContact CE2-CG 4.3Å; F179-P218 HydrophobicContact CZ-CB 3.64Å; F179-P218 HydrophobicContact CZ-CG 3.91Å
180	C	94.8	Very high	87.8	Confident	27 Å²	27	59.7 Å²	59.7	18%	0.182	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	103	179.8	-177.1	0	0	0	0	112	L166 P178 A182	L166-C180 HydrophobicContact CD2-CB 3.93Å; P178-C180 PolarHBondContact O-N 2.72Å; C180-A182 PolarHBondContact SG-O 2.87Å; C180-A182 VanDerWaalsContact SG-O 3.41Å
181	L	95.3	Very high	88.1	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	-41.7	178.1	-178.4	67.7	0	0	0	112.6	V165 I167 F179 L201 W213 I215 R219	V165-L181 HydrophobicContact CB-CB 4.46Å; V165-L181 HydrophobicContact CG1-CB 4.31Å; V165-L181 HydrophobicContact CG1-CD2 4.12Å; V165-L181 PolarHBondContact O-N 3.45Å; I167-L181 HydrophobicContact CD1-CB 4.4Å; I167-L181 HydrophobicContact CD1-CD2 4.42Å; I167-L181 HydrophobicContact CG1-CB 4.47Å; F179-L181 HydrophobicContact CE1-CB 4.38Å; F179-L181 HydrophobicContact CE1-CD1 4.2Å; F179-L181 PolarHBondContact O-N 2.84Å; L181-L201 HydrophobicContact CD2-CB 4.19Å; L181-L201 HydrophobicContact CD2-CD1 3.92Å; L181-L201 HydrophobicContact CD2-CD2 4.07Å; L181-L201 HydrophobicContact CD2-CG 4.3Å; L181-W213 HydrophobicContact CD1-CB 4.36Å; L181-W213 HydrophobicContact CD2-CB 3.91Å; L181-W213 HydrophobicContact CD2-CG 4.32Å; L181-W213 HydrophobicContact CG-CB 4.26Å; L181-I215 HydrophobicContact CD1-CG2 4.46Å; L181-R219 WeakPolarHBondContact O-CA 3.25Å; L181-R219 PolarHBondContact O-N 3.04Å
182	A	93.6	Very high	88.4	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	148.3	179.9	0	0	0	0	0	111	R164 V165 C180 F188 W213	R164-A182 VanDerWaalsContact CA-O 3.29Å; R164-A182 WeakPolarHBondContact CA-O 3.11Å; V165-A182 HydrophobicContact CB-CB 4.12Å; V165-A182 HydrophobicContact CG2-CB 4.21Å; V165-A182 PolarHBondContact N-O 3.49Å; V165-A182 PolarHBondContact O-N 3.48Å; C180-A182 PolarHBondContact SG-O 2.87Å; C180-A182 VanDerWaalsContact SG-O 3.41Å; A182-F188 HydrophobicContact CB-CE2 4.15Å; A182-F188 HydrophobicContact CB-CZ 4.03Å; A182-W213 HydrophobicContact CB-CD2 4.36Å; A182-W213 HydrophobicContact CB-CE3 4.12Å; A182-W213 HydrophobicContact CB-CH2 3.58Å; A182-W213 HydrophobicContact CB-CZ2 3.82Å; A182-W213 HydrophobicContact CB-CZ3 3.72Å
183	S	93.9	Very high	88.9	Confident	62 Å²	62	48 Å²	48	43%	0.434	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	114.3	176.8	-174.7	0	0	0	0	109.5	G163	G163-S183 CarbonylContact O-C 3.57Å; G163-S183 WeakPolarHBondContact O-CA 3.21Å
184	Y	91.6	Very high	89.8	Confident	54 Å²	54	43.3 Å²	43.3	21%	0.212	24%	0.238	C	C	.	.			trans	-131.6	160	-178.8	-81.9	-102.9	0	0	0	110.3	G163 S186 F188 E208 W213 R224	G163-Y184 WeakPolarHBondContact CA-O 3.21Å; G163-Y184 PolarHBondContact O-N 3.11Å; Y184-S186 PolarHBondContact O-N 2.64Å; Y184-F188 AromaticContact CD2-CE2 3.95Å; Y184-F188 HydrophobicContact CD2-CE2 3.95Å; Y184-F188 AromaticContact CD2-CZ 3.79Å; Y184-F188 HydrophobicContact CD2-CZ 3.79Å; Y184-F188 HydrophobicContact CG-CE2 4.29Å; Y184-F188 HydrophobicContact CG-CZ 4.23Å; Y184-E208 HydrophobicContact CD1-CG 3.55Å; Y184-E208 HydrophobicContact CE1-CG 3.96Å; Y184-E208 HydrophobicContact CG-CG 4.37Å; Y184-W213 AromaticContact CE2-CH2 3.7Å; Y184-W213 HydrophobicContact CE2-CH2 3.7Å; Y184-W213 HydrophobicContact CE2-CZ2 4.4Å; Y184-R224 PolarHBondContact OH-NH2 2.81Å
185	P	89.9	Confident	90.9	Very high	133 Å²	133	44.2 Å²	44.2	86%	0.864	24%	0.243	S	C	*	.	S	Bend	trans	-71.3	-4.4	172.4	-18.3	32.5	0	0	0	114.3
186	S	93.1	Very high	92	Very high	6 Å²	6	40.7 Å²	40.7	4%	0.042	23%	0.233	C	C	.	.	S	Bend	trans	-121	136.6	-172.9	51.4	0	0	0	0	110.5	G163 Y184 N205 S206	G163-S186 VanDerWaalsContact CA-O 3.31Å; G163-S186 WeakPolarHBondContact CA-O 3.39Å; Y184-S186 PolarHBondContact O-N 2.64Å; S186-N205 WeakPolarHBondContact CB-OD1 3.23Å; S186-N205 PolarHBondContact O-ND2 2.74Å; S186-N205 PolarHBondContact OG-ND2 3.17Å; S186-N205 PolarHBondContact OG-OD1 2.97Å; S186-S206 WeakPolarHBondContact CB-OG 3.35Å
187	A	93.8	Very high	93	Very high	9 Å²	9	43 Å²	43	7%	0.074	24%	0.236	C	C	.	.			trans	-52.9	140.1	-177.8	0	0	0	0	0	113.7	Y144 D161 N205 S206	Y144-A187 HydrophobicContact CE2-CB 4.28Å; D161-A187 HydrophobicContact CB-CB 4.49Å; D161-A187 WeakPolarHBondContact O-CA 3.39Å; D161-A187 WeakPolarHBondContact O-CB 3.18Å; D161-A187 VanDerWaalsContact OD1-CB 3.23Å; D161-A187 WeakPolarHBondContact OD1-CB 3.34Å; A187-N205 PolarHBondContact O-ND2 2.92Å; A187-S206 PolarHBondContact N-OG 3.4Å; A187-S206 VanDerWaalsContact N-OG 3.16Å; A187-S206 WeakPolarHBondContact O-CB 3.25Å; A187-S206 PolarHBondContact O-N 3.47Å; A187-S206 PolarHBondContact O-OG 3.02Å; A187-S206 VanDerWaalsContact O-OG 3.1Å
188	F	95.5	Very high	93.3	Very high	3 Å²	3	36 Å²	36	1%	0.013	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	115.8	167	-76.1	-82.6	0	0	0	109.9	S159 S160 G163 V165 A182 Y184 T203 A204 N205 W213	S159-F188 WeakPolarHBondContact CB-O 3.47Å; S159-F188 PolarHBondContact OG-O 2.94Å; S160-F188 PolarHBondContact O-N 3.43Å; S160-F188 VanDerWaalsContact O-N 3.1Å; G163-F188 WeakPolarHBondContact O-CD2 2.86Å; G163-F188 VanDerWaalsContact O-CE2 3.23Å; G163-F188 WeakPolarHBondContact O-CE2 3.23Å; V165-F188 HydrophobicContact CG2-CB 4.01Å; V165-F188 HydrophobicContact CG2-CD1 3.95Å; V165-F188 HydrophobicContact CG2-CD2 3.7Å; V165-F188 HydrophobicContact CG2-CE1 4.31Å; V165-F188 HydrophobicContact CG2-CE2 4.09Å; V165-F188 HydrophobicContact CG2-CG 3.63Å; V165-F188 HydrophobicContact CG2-CZ 4.37Å; A182-F188 HydrophobicContact CB-CE2 4.15Å; A182-F188 HydrophobicContact CB-CZ 4.03Å; Y184-F188 AromaticContact CD2-CE2 3.95Å; Y184-F188 HydrophobicContact CD2-CE2 3.95Å; Y184-F188 AromaticContact CD2-CZ 3.79Å; Y184-F188 HydrophobicContact CD2-CZ 3.79Å; Y184-F188 HydrophobicContact CG-CE2 4.29Å; Y184-F188 HydrophobicContact CG-CZ 4.23Å; F188-T203 HydrophobicContact CD1-CG2 4.47Å; F188-T203 HydrophobicContact CE1-CG2 4.49Å; F188-A204 CarbonylContact C-O 3.52Å; F188-A204 WeakPolarHBondContact CA-O 3.43Å; F188-N205 HydrophobicContact CD1-CB 3.77Å; F188-N205 WeakPolarHBondContact CD1-ND2 3.41Å; F188-N205 HydrophobicContact CE1-CB 3.72Å; F188-N205 WeakPolarHBondContact CE1-ND2 3.14Å; F188-N205 HydrophobicContact CZ-CB 4.44Å; F188-N205 WeakPolarHBondContact CZ-ND2 2.66Å; F188-W213 HydrophobicContact CE1-CZ2 4.48Å; F188-W213 HydrophobicContact CZ-CZ2 4.26Å
189	H	94.6	Very high	93.4	Very high	19 Å²	19	38.2 Å²	38.2	9%	0.088	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	-23.5	-176.1	-67.2	145.8	0	0	0	113.6	Y144 A204 S206 A234 M235 M280	Y144-H189 WeakPolarHBondContact CB-O 3.36Å; H189-A204 PolarHBondContact N-O 3.15Å; H189-S206 WeakPolarHBondContact CE1-CB 3.27Å; H189-A234 PolarHBondContact ND1-O 3.49Å; H189-M235 WeakPolarHBondContact CB-O 3.44Å; H189-M280 HydrophobicContact CB-CE 3.53Å
190	S	95.1	Very high	93.4	Very high	8 Å²	8	34.1 Å²	34.1	6%	0.056	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	142	-175.7	-171.7	0	0	0	0	112.1	S145 T203 A204 V237	S145-S190 VanDerWaalsContact CB-CA 3.44Å; S190-T203 CarbonylContact O-C 3.57Å; S190-T203 WeakPolarHBondContact O-CA 3.4Å; S190-A204 PolarHBondContact N-O 3.18Å; S190-A204 PolarHBondContact O-N 2.84Å; S190-V237 PolarHBondContact OG-N 3.45Å; S190-V237 PolarHBondContact OG-O 2.92Å
191	V	96.3	Very high	93.5	Very high	3 Å²	3	32.9 Å²	32.9	2%	0.018	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	140	171.9	61.3	0	0	0	0	109.7	S145 A157 V165 L201 A202 T203	S145-V191 PolarHBondContact OG-N 3.17Å; A157-V191 HydrophobicContact CB-CG1 4.48Å; A157-V191 HydrophobicContact CB-CG2 4.03Å; V165-V191 HydrophobicContact CG1-CG2 3.95Å; V191-L201 HydrophobicContact CG2-CD2 3.78Å; V191-A202 WeakPolarHBondContact CA-O 3.36Å; V191-T203 HydrophobicContact CG2-CG2 4.25Å
192	M	95.5	Very high	93.5	Very high	32 Å²	32	32.9 Å²	32.9	16%	0.158	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	133.6	173.4	-166.8	-177.7	171.1	0	0	110.7	L201 A202 R238 F239	M192-L201 WeakPolarHBondContact O-CA 3.33Å; M192-A202 PolarHBondContact N-O 3.28Å; M192-A202 PolarHBondContact O-N 3.34Å; M192-R238 HydrophobicContact SD-CB 4Å; M192-R238 HydrophobicContact SD-CG 4.4Å; M192-F239 HydrophobicContact CB-CD2 4.37Å; M192-F239 HydrophobicContact CE-CB 4.25Å; M192-F239 HydrophobicContact CG-CD2 4.3Å; M192-F239 HydrophobicContact SD-CB 4.2Å; M192-F239 HydrophobicContact SD-CD2 4.29Å; M192-F239 PolarHBondContact SD-N 2.9Å
193	F	96	Very high	93.7	Very high	8 Å²	8	32.9 Å²	32.9	4%	0.035	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	143.3	166.1	-82.3	-79.4	0	0	0	110.4	S147 V148 I155 A157 L201	S147-F193 WeakPolarHBondContact O-CD2 3.05Å; S147-F193 WeakPolarHBondContact O-CE2 3.34Å; S147-F193 PolarHBondContact OG-N 2.98Å; V148-F193 WeakPolarHBondContact O-CD2 3.48Å; I155-F193 HydrophobicContact CG2-CZ 4.46Å; A157-F193 HydrophobicContact CB-CD2 4.25Å; A157-F193 HydrophobicContact CB-CE2 3.52Å; A157-F193 HydrophobicContact CB-CZ 3.98Å; F193-L201 HydrophobicContact CD1-CD1 3.87Å; F193-L201 HydrophobicContact CD1-CD2 3.96Å; F193-L201 HydrophobicContact CD1-CG 3.66Å; F193-L201 HydrophobicContact CD2-CD2 4.3Å; F193-L201 HydrophobicContact CE1-CD1 3.63Å; F193-L201 HydrophobicContact CE1-CD2 3.81Å; F193-L201 HydrophobicContact CE1-CG 3.8Å; F193-L201 HydrophobicContact CE2-CD2 4.16Å; F193-L201 HydrophobicContact CG-CD2 4.21Å; F193-L201 HydrophobicContact CG-CG 4.18Å; F193-L201 HydrophobicContact CZ-CD1 4.42Å; F193-L201 HydrophobicContact CZ-CD2 3.9Å; F193-L201 HydrophobicContact CZ-CG 4.41Å
194	N	95.3	Very high	93.7	Very high	2 Å²	2	30 Å²	30	1%	0.011	16%	0.164	C	C	.	.			trans	-65.6	127.1	167.9	-176.2	-56.2	0	0	0	108.7	V196 E197 L200 F239 G243	N194-V196 PolarHBondContact O-N 3.32Å; N194-V196 PolarHBondContact OD1-N 2.96Å; N194-E197 HydrophobicContact CB-CB 4.42Å; N194-E197 WeakPolarHBondContact CB-O 3.41Å; N194-E197 PolarHBondContact OD1-N 2.77Å; N194-L200 HydrophobicContact CB-CB 3.89Å; N194-L200 WeakPolarHBondContact CB-O 3.26Å; N194-L200 PolarHBondContact N-O 2.99Å; N194-F239 HydrophobicContact CB-CD1 4.49Å; N194-F239 HydrophobicContact CB-CD2 4.24Å; N194-F239 HydrophobicContact CB-CE1 4.13Å; N194-F239 HydrophobicContact CB-CE2 3.86Å; N194-F239 HydrophobicContact CB-CZ 3.81Å; N194-F239 VanDerWaalsContact ND2-CE1 3.31Å; N194-F239 WeakPolarHBondContact ND2-CE1 3.5Å; N194-G243 PolarHBondContact ND2-O 3.35Å
195	P	91.2	Very high	93.8	Very high	49 Å²	49	27.4 Å²	27.4	32%	0.318	15%	0.154	S	C	.	.	S	Bend	trans	-67.3	-18.6	-173.3	25.5	-33.8	0	0	0	113.7	F239 N240	P195-F239 HydrophobicContact CG-CB 4.21Å; P195-N240 VanDerWaalsContact CG-O 3.31Å; P195-N240 WeakPolarHBondContact CG-O 3.33Å
196	V	92.4	Very high	93.9	Very high	91 Å²	91	22.3 Å²	22.3	55%	0.552	12%	0.121	S	C	*	.	S	Bend	trans	-110.1	-41.3	-178.3	-178.5	0	0	0	0	111.8	N194 P198 T242	N194-V196 PolarHBondContact O-N 3.32Å; N194-V196 PolarHBondContact OD1-N 2.96Å; V196-P198 VanDerWaalsContact O-CD 3.24Å; V196-P198 WeakPolarHBondContact O-CD 3.25Å; V196-T242 WeakPolarHBondContact CG2-O 3.41Å
197	E	92.6	Very high	93.7	Very high	77 Å²	77	28.6 Å²	28.6	36%	0.36	15%	0.148	S	C	.	.			trans	-106.9	88.2	179.6	-71.1	-162.6	-158.3	0	0	111.7	N194 R199 L200	N194-E197 HydrophobicContact CB-CB 4.42Å; N194-E197 WeakPolarHBondContact CB-O 3.41Å; N194-E197 PolarHBondContact OD1-N 2.77Å; E197-R199 PolarHBondContact O-N 2.79Å; E197-R199 IonicContact OE2-CZ 3.36Å; E197-R199 VanDerWaalsContact OE2-CZ 3.23Å; E197-R199 IonicContact OE2-NE 2.74Å; E197-R199 PolarHBondContact OE2-NE 2.67Å; E197-R199 IonicContact OE2-NH2 2.9Å; E197-R199 PolarHBondContact OE2-NH2 3.25Å; E197-L200 HydrophobicContact CB-CD1 4.18Å; E197-L200 HydrophobicContact CB-CG 4.27Å; E197-L200 PolarHBondContact O-N 3.04Å; E197-L200 WeakPolarHBondContact OE2-CD1 3.37Å
198	P	86	Confident	93.4	Very high	43 Å²	43	30.5 Å²	30.5	28%	0.279	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-11	-171.1	27	-37.8	0	0	0	114.8	P150 V151 V196 L200	P150-P198 HydrophobicContact CG-CB 4.14Å; V151-P198 HydrophobicContact CG1-CB 4.11Å; V151-P198 HydrophobicContact CG1-CG 3.86Å; V151-P198 HydrophobicContact CG2-CB 3.61Å; V151-P198 HydrophobicContact CG2-CG 3.84Å; V196-P198 VanDerWaalsContact O-CD 3.24Å; V196-P198 WeakPolarHBondContact O-CD 3.25Å; P198-L200 VanDerWaalsContact C-N 3.3Å
199	R	90.9	Very high	93.1	Very high	86 Å²	86	30.7 Å²	30.7	33%	0.325	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-19.8	172.9	73.1	-178.8	178.8	101.4	0.2	113.4	E197 D214 I215	E197-R199 PolarHBondContact O-N 2.79Å; E197-R199 IonicContact OE2-CZ 3.36Å; E197-R199 VanDerWaalsContact OE2-CZ 3.23Å; E197-R199 IonicContact OE2-NE 2.74Å; E197-R199 PolarHBondContact OE2-NE 2.67Å; E197-R199 IonicContact OE2-NH2 2.9Å; E197-R199 PolarHBondContact OE2-NH2 3.25Å; R199-D214 IonicContact CZ-OD2 3.86Å; R199-D214 IonicContact NH1-OD2 2.75Å; R199-D214 PolarHBondContact NH1-OD2 3.28Å; R199-D214 WeakPolarHBondContact O-CA 3.31Å; R199-I215 HydrophobicContact CB-CD1 4.34Å; R199-I215 HydrophobicContact CB-CG1 4.19Å; R199-I215 PolarHBondContact O-N 3.29Å
200	L	94.9	Very high	93.1	Very high	5 Å²	5	30 Å²	30	3%	0.026	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	138.2	-173	-63.7	-176.6	0	0	0	111.2	N194 E197 P198 L212 W213 D214 L222 L260	N194-L200 HydrophobicContact CB-CB 3.89Å; N194-L200 WeakPolarHBondContact CB-O 3.26Å; N194-L200 PolarHBondContact N-O 2.99Å; E197-L200 HydrophobicContact CB-CD1 4.18Å; E197-L200 HydrophobicContact CB-CG 4.27Å; E197-L200 PolarHBondContact O-N 3.04Å; E197-L200 WeakPolarHBondContact OE2-CD1 3.37Å; P198-L200 VanDerWaalsContact C-N 3.3Å; L200-L212 HydrophobicContact CB-CD1 4.41Å; L200-W213 VanDerWaalsContact CA-O 3.3Å; L200-W213 WeakPolarHBondContact CA-O 3.43Å; L200-D214 HydrophobicContact CD2-CB 4.33Å; L200-L222 HydrophobicContact CD2-CD1 3.59Å; L200-L260 HydrophobicContact CD1-CD2 4.39Å
201	L	96	Very high	93	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	145.1	171.6	-66.5	90.5	0	0	0	110.7	A157 L181 V191 M192 F193 L212 W213 I215	A157-L201 HydrophobicContact CB-CD2 3.61Å; L181-L201 HydrophobicContact CD2-CB 4.19Å; L181-L201 HydrophobicContact CD2-CD1 3.92Å; L181-L201 HydrophobicContact CD2-CD2 4.07Å; L181-L201 HydrophobicContact CD2-CG 4.3Å; V191-L201 HydrophobicContact CG2-CD2 3.78Å; M192-L201 WeakPolarHBondContact O-CA 3.33Å; F193-L201 HydrophobicContact CD1-CD1 3.87Å; F193-L201 HydrophobicContact CD1-CD2 3.96Å; F193-L201 HydrophobicContact CD1-CG 3.66Å; F193-L201 HydrophobicContact CD2-CD2 4.3Å; F193-L201 HydrophobicContact CE1-CD1 3.63Å; F193-L201 HydrophobicContact CE1-CD2 3.81Å; F193-L201 HydrophobicContact CE1-CG 3.8Å; F193-L201 HydrophobicContact CE2-CD2 4.16Å; F193-L201 HydrophobicContact CG-CD2 4.21Å; F193-L201 HydrophobicContact CG-CG 4.18Å; F193-L201 HydrophobicContact CZ-CD1 4.42Å; F193-L201 HydrophobicContact CZ-CD2 3.9Å; F193-L201 HydrophobicContact CZ-CG 4.41Å; L201-L212 CarbonylContact O-C 3.07Å; L201-L212 WeakPolarHBondContact O-CA 3.11Å; L201-W213 PolarHBondContact N-O 2.89Å; L201-W213 PolarHBondContact O-N 2.84Å; L201-I215 HydrophobicContact CD1-CG2 3.28Å
202	A	96.1	Very high	92.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	142.8	168.9	0	0	0	0	0	110.2	V191 M192 G211 V237 F239 L246	V191-A202 WeakPolarHBondContact CA-O 3.36Å; M192-A202 PolarHBondContact N-O 3.28Å; M192-A202 PolarHBondContact O-N 3.34Å; A202-G211 CarbonylContact C-O 3.55Å; A202-G211 WeakPolarHBondContact CA-O 3.49Å; A202-V237 HydrophobicContact CB-CG1 4.24Å; A202-V237 HydrophobicContact CB-CG2 3.93Å; A202-F239 HydrophobicContact CB-CD2 4.24Å; A202-F239 HydrophobicContact CB-CE2 3.43Å; A202-F239 VanDerWaalsContact CB-CE2 3.43Å; A202-F239 HydrophobicContact CB-CZ 3.63Å; A202-L246 HydrophobicContact CB-CD1 4.22Å; A202-L246 HydrophobicContact CB-CD2 3.55Å
203	T	96.1	Very high	92.9	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.006	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	145.6	-178.5	65	0	0	0	0	111.5	V165 F188 S190 V191 V210 G211 W213	V165-T203 HydrophobicContact CG1-CG2 4.45Å; V165-T203 HydrophobicContact CG2-CG2 3.97Å; F188-T203 HydrophobicContact CD1-CG2 4.47Å; F188-T203 HydrophobicContact CE1-CG2 4.49Å; S190-T203 CarbonylContact O-C 3.57Å; S190-T203 WeakPolarHBondContact O-CA 3.4Å; V191-T203 HydrophobicContact CG2-CG2 4.25Å; T203-V210 WeakPolarHBondContact O-CA 3.38Å; T203-G211 PolarHBondContact N-O 3.28Å; T203-G211 PolarHBondContact O-N 3.24Å; T203-W213 PolarHBondContact OG1-NE1 2.89Å
204	A	94.7	Very high	92.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	123.6	169.2	0	0	0	0	0	110.3	F188 H189 S190 A234 V237	F188-A204 CarbonylContact C-O 3.52Å; F188-A204 WeakPolarHBondContact CA-O 3.43Å; H189-A204 PolarHBondContact N-O 3.15Å; S190-A204 PolarHBondContact N-O 3.18Å; S190-A204 PolarHBondContact O-N 2.84Å; A204-A234 HydrophobicContact CB-CB 3.76Å; A204-V237 HydrophobicContact CB-CB 4.21Å; A204-V237 HydrophobicContact CB-CG1 4.14Å
205	N	94.1	Very high	92.7	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	144.4	-179.3	-170.6	-81.7	0	0	0	111.8	S186 A187 F188 K207 E208 G209 A234	S186-N205 WeakPolarHBondContact CB-OD1 3.23Å; S186-N205 PolarHBondContact O-ND2 2.74Å; S186-N205 PolarHBondContact OG-ND2 3.17Å; S186-N205 PolarHBondContact OG-OD1 2.97Å; A187-N205 PolarHBondContact O-ND2 2.92Å; F188-N205 HydrophobicContact CD1-CB 3.77Å; F188-N205 WeakPolarHBondContact CD1-ND2 3.41Å; F188-N205 HydrophobicContact CE1-CB 3.72Å; F188-N205 WeakPolarHBondContact CE1-ND2 3.14Å; F188-N205 HydrophobicContact CZ-CB 4.44Å; F188-N205 WeakPolarHBondContact CZ-ND2 2.66Å; N205-K207 PolarHBondContact O-N 3.16Å; N205-K207 PolarHBondContact OD1-N 3.45Å; N205-E208 HydrophobicContact CB-CB 3.77Å; N205-E208 WeakPolarHBondContact OD1-CB 3.43Å; N205-E208 PolarHBondContact OD1-N 3.48Å; N205-G209 WeakPolarHBondContact CB-O 3.33Å; N205-G209 PolarHBondContact N-O 2.64Å; N205-G209 PolarHBondContact O-N 3.47Å; N205-A234 CarbonylContact C-O 3.59Å; N205-A234 PolarHBondContact O-N 3.32Å
206	S	91.7	Very high	92.7	Very high	26 Å²	26	36.9 Å²	36.9	18%	0.182	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-24.9	-178.9	60.5	0	0	0	0	114.6	S186 A187 H189 S233	S186-S206 WeakPolarHBondContact CB-OG 3.35Å; A187-S206 PolarHBondContact N-OG 3.4Å; A187-S206 VanDerWaalsContact N-OG 3.16Å; A187-S206 WeakPolarHBondContact O-CB 3.25Å; A187-S206 PolarHBondContact O-N 3.47Å; A187-S206 PolarHBondContact O-OG 3.02Å; A187-S206 VanDerWaalsContact O-OG 3.1Å; H189-S206 WeakPolarHBondContact CE1-CB 3.27Å; S206-S233 VanDerWaalsContact O-CA 3.32Å; S206-S233 WeakPolarHBondContact O-CA 3.29Å; S206-S233 WeakPolarHBondContact O-CB 3.19Å; S206-S233 PolarHBondContact O-OG 3.22Å
207	K	89.6	Confident	92.6	Very high	138 Å²	138	38.5 Å²	38.5	60%	0.6	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-123.6	-39.5	176.3	-63.7	-172.8	-175.7	171.9	0	112.9	N205 G209 L231	N205-K207 PolarHBondContact O-N 3.16Å; N205-K207 PolarHBondContact OD1-N 3.45Å; K207-G209 VanDerWaalsContact C-N 3.3Å; K207-G209 PolarHBondContact O-N 3.31Å; K207-L231 CarbonylContact O-C 3.56Å; K207-L231 VanDerWaalsContact O-CB 3.29Å; K207-L231 WeakPolarHBondContact O-CB 3.33Å
208	E	86.6	Confident	92.4	Very high	49 Å²	49	37.6 Å²	37.6	23%	0.229	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-2.8	-170.6	-59.8	-65.5	135.2	0	0	114.1	Y184 N205 R224	Y184-E208 HydrophobicContact CD1-CG 3.55Å; Y184-E208 HydrophobicContact CE1-CG 3.96Å; Y184-E208 HydrophobicContact CG-CG 4.37Å; N205-E208 HydrophobicContact CB-CB 3.77Å; N205-E208 WeakPolarHBondContact OD1-CB 3.43Å; N205-E208 PolarHBondContact OD1-N 3.48Å; E208-R224 IonicContact OE2-CZ 2.61Å; E208-R224 IonicContact OE2-NH1 3.23Å; E208-R224 PolarHBondContact OE2-NH1 3.17Å; E208-R224 IonicContact OE2-NH2 3.35Å; E208-R224 PolarHBondContact OE2-NH2 3.48Å
209	G	90.2	Very high	92.5	Very high	6 Å²	6	44.4 Å²	44.4	6%	0.062	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	71.6	-145.4	-179.7	0	0	0	0	0	113.4	N205 K207 Q232	N205-G209 WeakPolarHBondContact CB-O 3.33Å; N205-G209 PolarHBondContact N-O 2.64Å; N205-G209 PolarHBondContact O-N 3.47Å; K207-G209 VanDerWaalsContact C-N 3.3Å; K207-G209 PolarHBondContact O-N 3.31Å; G209-Q232 WeakPolarHBondContact CA-O 3.49Å
210	V	93.3	Very high	92.4	Very high	4 Å²	4	43.6 Å²	43.6	2%	0.024	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	130.8	-175.1	-174.3	0	0	0	0	110.1	T203 R224 Y225 A234 V237 A248	T203-V210 WeakPolarHBondContact O-CA 3.38Å; V210-R224 WeakPolarHBondContact O-CA 3.22Å; V210-Y225 HydrophobicContact CB-CD2 4.15Å; V210-Y225 HydrophobicContact CG1-CD2 3.79Å; V210-Y225 HydrophobicContact CG1-CE2 4.46Å; V210-Y225 PolarHBondContact O-N 3.43Å; V210-A234 HydrophobicContact CG2-CB 3.77Å; V210-V237 HydrophobicContact CG1-CB 4.46Å; V210-V237 HydrophobicContact CG1-CG2 3.82Å; V210-A248 HydrophobicContact CG2-CB 3.52Å
211	G	92.6	Very high	92.1	Very high	4 Å²	4	44.7 Å²	44.7	4%	0.041	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	145.4	-179.7	0	0	0	0	0	113	A202 T203 L223	A202-G211 CarbonylContact C-O 3.55Å; A202-G211 WeakPolarHBondContact CA-O 3.49Å; T203-G211 PolarHBondContact N-O 3.28Å; T203-G211 PolarHBondContact O-N 3.24Å; G211-L223 CarbonylContact C-O 3.53Å; G211-L223 WeakPolarHBondContact CA-O 3.16Å
212	L	95.1	Very high	91.9	Very high	11 Å²	11	47.6 Å²	47.6	6%	0.058	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	135.6	168.9	-173.6	70	0	0	0	109.7	L200 L201 S221 L222 L223 Y225 F239 L260	L200-L212 HydrophobicContact CB-CD1 4.41Å; L201-L212 CarbonylContact O-C 3.07Å; L201-L212 WeakPolarHBondContact O-CA 3.11Å; L212-S221 CarbonylContact O-C 3.5Å; L212-L222 HydrophobicContact CD2-CB 4.45Å; L212-L222 HydrophobicContact CD2-CD1 4.3Å; L212-L222 HydrophobicContact CG-CB 4.48Å; L212-L222 HydrophobicContact CG-CD1 4.35Å; L212-L222 WeakPolarHBondContact O-CB 3.35Å; L212-L222 PolarHBondContact O-N 2.96Å; L212-L223 HydrophobicContact CB-CB 4Å; L212-L223 HydrophobicContact CD2-CB 4.36Å; L212-L223 PolarHBondContact N-O 3.03Å; L212-L223 PolarHBondContact O-N 3.09Å; L212-Y225 HydrophobicContact CB-CE2 3.88Å; L212-F239 HydrophobicContact CD1-CZ 4.02Å; L212-L260 HydrophobicContact CD1-CD1 3.8Å; L212-L260 HydrophobicContact CD2-CD1 3.87Å; L212-L260 HydrophobicContact CD2-CG 4.36Å
213	W	95.4	Very high	91.5	Very high	5 Å²	5	48.8 Å²	48.8	2%	0.019	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	148	-174.1	-55.7	84.1	0	0	0	110.8	L181 A182 Y184 F188 L200 L201 T203 S220 S221	L181-W213 HydrophobicContact CD1-CB 4.36Å; L181-W213 HydrophobicContact CD2-CB 3.91Å; L181-W213 HydrophobicContact CD2-CG 4.32Å; L181-W213 HydrophobicContact CG-CB 4.26Å; A182-W213 HydrophobicContact CB-CD2 4.36Å; A182-W213 HydrophobicContact CB-CE3 4.12Å; A182-W213 HydrophobicContact CB-CH2 3.58Å; A182-W213 HydrophobicContact CB-CZ2 3.82Å; A182-W213 HydrophobicContact CB-CZ3 3.72Å; Y184-W213 AromaticContact CE2-CH2 3.7Å; Y184-W213 HydrophobicContact CE2-CH2 3.7Å; Y184-W213 HydrophobicContact CE2-CZ2 4.4Å; F188-W213 HydrophobicContact CE1-CZ2 4.48Å; F188-W213 HydrophobicContact CZ-CZ2 4.26Å; L200-W213 VanDerWaalsContact CA-O 3.3Å; L200-W213 WeakPolarHBondContact CA-O 3.43Å; L201-W213 PolarHBondContact N-O 2.89Å; L201-W213 PolarHBondContact O-N 2.84Å; T203-W213 PolarHBondContact OG1-NE1 2.89Å; W213-S220 VanDerWaalsContact CZ3-C 3.47Å; W213-S221 VanDerWaalsContact CZ3-N 3.33Å
214	D	94.2	Very high	91.2	Very high	3 Å²	3	51.8 Å²	51.8	2%	0.016	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	127.6	167.8	-165.9	-51	0	0	0	107.8	R199 L200 R216 K217 L222	R199-D214 IonicContact CZ-OD2 3.86Å; R199-D214 IonicContact NH1-OD2 2.75Å; R199-D214 PolarHBondContact NH1-OD2 3.28Å; R199-D214 WeakPolarHBondContact O-CA 3.31Å; L200-D214 HydrophobicContact CD2-CB 4.33Å; D214-R216 PolarHBondContact O-N 3.03Å; D214-R216 VanDerWaalsContact OD1-CB 3.26Å; D214-R216 WeakPolarHBondContact OD1-CB 3.48Å; D214-R216 WeakPolarHBondContact OD1-CG 3.45Å; D214-R216 IonicContact OD1-CZ 3.39Å; D214-R216 PolarHBondContact OD1-N 2.93Å; D214-R216 IonicContact OD1-NE 2.81Å; D214-R216 PolarHBondContact OD1-NE 3.44Å; D214-R216 IonicContact OD1-NH2 2.67Å; D214-R216 IonicContact OD2-CZ 3.85Å; D214-R216 IonicContact OD2-NE 3.78Å; D214-R216 PolarHBondContact OD2-NE 3.19Å; D214-R216 IonicContact OD2-NH2 3.62Å; D214-R216 PolarHBondContact OD2-NH2 3.03Å; D214-K217 CarbonylContact O-C 3.5Å; D214-K217 PolarHBondContact O-N 3.37Å; D214-L222 HydrophobicContact CB-CD1 3.6Å; D214-L222 HydrophobicContact CB-CD2 3.96Å; D214-L222 HydrophobicContact CB-CG 3.9Å
215	I	92.4	Very high	90.8	Very high	59 Å²	59	52.4 Å²	52.4	30%	0.303	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-25	178.7	62.5	178.3	0	0	0	113	I167 F179 L181 R199 L201 K217	I167-I215 HydrophobicContact CD1-CB 4.44Å; I167-I215 HydrophobicContact CD1-CG2 3.63Å; F179-I215 WeakPolarHBondContact CZ-O 3.49Å; L181-I215 HydrophobicContact CD1-CG2 4.46Å; R199-I215 HydrophobicContact CB-CD1 4.34Å; R199-I215 HydrophobicContact CB-CG1 4.19Å; R199-I215 PolarHBondContact O-N 3.29Å; L201-I215 HydrophobicContact CD1-CG2 3.28Å; I215-K217 VanDerWaalsContact C-N 3.26Å; I215-K217 PolarHBondContact O-N 2.81Å
216	R	91.7	Very high	89.9	Confident	166 Å²	166	53.8 Å²	53.8	63%	0.626	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-9.2	178.7	-56.6	170.8	-64.7	174.9	7.9	113	D214 P218	D214-R216 PolarHBondContact O-N 3.03Å; D214-R216 VanDerWaalsContact OD1-CB 3.26Å; D214-R216 WeakPolarHBondContact OD1-CB 3.48Å; D214-R216 WeakPolarHBondContact OD1-CG 3.45Å; D214-R216 IonicContact OD1-CZ 3.39Å; D214-R216 PolarHBondContact OD1-N 2.93Å; D214-R216 IonicContact OD1-NE 2.81Å; D214-R216 PolarHBondContact OD1-NE 3.44Å; D214-R216 IonicContact OD1-NH2 2.67Å; D214-R216 IonicContact OD2-CZ 3.85Å; D214-R216 IonicContact OD2-NE 3.78Å; D214-R216 PolarHBondContact OD2-NE 3.19Å; D214-R216 IonicContact OD2-NH2 3.62Å; D214-R216 PolarHBondContact OD2-NH2 3.03Å; R216-P218 VanDerWaalsContact C-CD 3.5Å
217	K	90.5	Very high	88.6	Confident	124 Å²	124	54.4 Å²	54.4	54%	0.539	27%	0.273	S	S	.	.	S	Bend	trans	-127.1	66.2	179.8	-64.2	-172.6	179.9	-177.2	0	110.2	D214 I215 S220 L222	D214-K217 CarbonylContact O-C 3.5Å; D214-K217 PolarHBondContact O-N 3.37Å; I215-K217 VanDerWaalsContact C-N 3.26Å; I215-K217 PolarHBondContact O-N 2.81Å; K217-S220 PolarHBondContact O-N 2.78Å; K217-L222 HydrophobicContact CD-CD2 4.09Å
218	P	88.4	Confident	86.8	Confident	58 Å²	58	54.1 Å²	54.1	38%	0.377	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	152.1	-179.5	26.3	-33.8	0	0	0	111.5	F179 R216 S220	F179-P218 HydrophobicContact CE1-CB 4.27Å; F179-P218 HydrophobicContact CE2-CB 4.28Å; F179-P218 HydrophobicContact CE2-CG 4.3Å; F179-P218 HydrophobicContact CZ-CB 3.64Å; F179-P218 HydrophobicContact CZ-CG 3.91Å; R216-P218 VanDerWaalsContact C-CD 3.5Å; P218-S220 PolarHBondContact O-N 2.98Å; P218-S220 VanDerWaalsContact O-N 3.1Å
219	R	87.9	Confident	85.2	Confident	186 Å²	186	58.5 Å²	58.5	70%	0.702	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.1	2.8	-179.6	-53	-177.5	176.9	-168.7	-1.3	115.5	L181	L181-R219 WeakPolarHBondContact O-CA 3.25Å; L181-R219 PolarHBondContact O-N 3.04Å
220	S	88.7	Confident	83.5	Confident	69 Å²	69	62.7 Å²	62.7	48%	0.483	34%	0.339	S	S	.	.			trans	-128.9	121.1	178.5	-171.8	0	0	0	0	112.1	W213 K217 P218	W213-S220 VanDerWaalsContact CZ3-C 3.47Å; K217-S220 PolarHBondContact O-N 2.78Å; P218-S220 PolarHBondContact O-N 2.98Å; P218-S220 VanDerWaalsContact O-N 3.1Å
221	S	89.4	Confident	82	Confident	28 Å²	28	67.3 Å²	67.3	20%	0.196	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	131.5	178.2	60	0	0	0	0	111	L212 W213 R224	L212-S221 CarbonylContact O-C 3.5Å; W213-S221 VanDerWaalsContact CZ3-N 3.33Å; S221-R224 PolarHBondContact OG-NE 3.5Å; S221-R224 VanDerWaalsContact OG-NE 3.17Å
222	L	90.4	Very high	81.2	Confident	61 Å²	61	70.2 Å²	70.2	32%	0.319	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	-44.9	173.9	-65.6	179.6	0	0	0	112.1	L200 L212 D214 K217	L200-L222 HydrophobicContact CD2-CD1 3.59Å; L212-L222 HydrophobicContact CD2-CB 4.45Å; L212-L222 HydrophobicContact CD2-CD1 4.3Å; L212-L222 HydrophobicContact CG-CB 4.48Å; L212-L222 HydrophobicContact CG-CD1 4.35Å; L212-L222 WeakPolarHBondContact O-CB 3.35Å; L212-L222 PolarHBondContact O-N 2.96Å; D214-L222 HydrophobicContact CB-CD1 3.6Å; D214-L222 HydrophobicContact CB-CD2 3.96Å; D214-L222 HydrophobicContact CB-CG 3.9Å; K217-L222 HydrophobicContact CD-CD2 4.09Å
223	L	89.1	Confident	80.9	Confident	25 Å²	25	71.1 Å²	71.1	13%	0.131	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	146.3	-176.5	-157.7	68.4	0	0	0	109.9	G211 L212 Y225 L260 R263	G211-L223 CarbonylContact C-O 3.53Å; G211-L223 WeakPolarHBondContact CA-O 3.16Å; L212-L223 HydrophobicContact CB-CB 4Å; L212-L223 HydrophobicContact CD2-CB 4.36Å; L212-L223 PolarHBondContact N-O 3.03Å; L212-L223 PolarHBondContact O-N 3.09Å; L223-Y225 HydrophobicContact CD2-CD1 4.34Å; L223-Y225 HydrophobicContact CD2-CE1 3.63Å; L223-Y225 HydrophobicContact CG-CE1 4.49Å; L223-L260 VanDerWaalsContact CD2-O 3.3Å; L223-L260 WeakPolarHBondContact CD2-O 3.4Å; L223-R263 HydrophobicContact CD1-CG 3.56Å; L223-R263 HydrophobicContact CD2-CG 4.27Å; L223-R263 HydrophobicContact CG-CG 3.91Å
224	R	89.1	Confident	80.6	Confident	65 Å²	65	70.9 Å²	70.9	25%	0.245	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	128.6	172.4	-70.2	172.3	169.3	-114.3	12.8	108.4	Y184 E208 V210 S221	Y184-R224 PolarHBondContact OH-NH2 2.81Å; E208-R224 IonicContact OE2-CZ 2.61Å; E208-R224 IonicContact OE2-NH1 3.23Å; E208-R224 PolarHBondContact OE2-NH1 3.17Å; E208-R224 IonicContact OE2-NH2 3.35Å; E208-R224 PolarHBondContact OE2-NH2 3.48Å; V210-R224 WeakPolarHBondContact O-CA 3.22Å; S221-R224 PolarHBondContact OG-NE 3.5Å; S221-R224 VanDerWaalsContact OG-NE 3.17Å
225	Y	86.9	Confident	80.5	Confident	12 Å²	12	71.2 Å²	71.2	5%	0.047	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	137	-174.6	-56.8	-90.3	0	0	0	110	V210 L212 L223 L246 Y258 L260 S262	V210-Y225 HydrophobicContact CB-CD2 4.15Å; V210-Y225 HydrophobicContact CG1-CD2 3.79Å; V210-Y225 HydrophobicContact CG1-CE2 4.46Å; V210-Y225 PolarHBondContact O-N 3.43Å; L212-Y225 HydrophobicContact CB-CE2 3.88Å; L223-Y225 HydrophobicContact CD2-CD1 4.34Å; L223-Y225 HydrophobicContact CD2-CE1 3.63Å; L223-Y225 HydrophobicContact CG-CE1 4.49Å; Y225-L246 HydrophobicContact CD2-CD1 4.28Å; Y225-L246 HydrophobicContact CE1-CD1 4.21Å; Y225-L246 HydrophobicContact CE2-CD1 3.46Å; Y225-L246 VanDerWaalsContact CE2-CD1 3.46Å; Y225-L246 VanDerWaalsContact CZ-CD1 3.44Å; Y225-L246 WeakPolarHBondContact OH-CD1 3.35Å; Y225-Y258 AromaticContact CD1-CD1 3.9Å; Y225-Y258 HydrophobicContact CD1-CD1 3.9Å; Y225-Y258 HydrophobicContact CD1-CD2 4.43Å; Y225-Y258 AromaticContact CD1-CG 3.76Å; Y225-Y258 HydrophobicContact CD1-CG 3.76Å; Y225-Y258 HydrophobicContact CG-CD1 4.27Å; Y225-Y258 HydrophobicContact CG-CD2 4.35Å; Y225-Y258 HydrophobicContact CG-CG 4.1Å; Y225-L260 PolarHBondContact OH-O 3.26Å; Y225-S262 WeakPolarHBondContact CD1-O 3.28Å; Y225-S262 VanDerWaalsContact CE1-O 3.27Å; Y225-S262 WeakPolarHBondContact CE1-O 3.1Å
226	G	74.4	Confident	80.6	Confident	30 Å²	30	68.8 Å²	68.8	31%	0.309	37%	0.372	S	S	.	.	S	Bend	trans	135.8	-8.4	-177.4	0	0	0	0	0	116.4	R263	G226-R263 PolarHBondContact N-O 2.91Å
227	G	64.7	Low	80.7	Confident	40 Å²	40	60.9 Å²	60.9	41%	0.412	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.5	-152.2	177.5	0	0	0	0	0	114.9	M229 R263	G227-M229 VanDerWaalsContact C-N 3.31Å; G227-R263 PolarHBondContact N-O 3.4Å
228	S	50.9	Low	80.9	Confident	132 Å²	132	57.4 Å²	57.4	92%	0.923	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	0.3	176.2	57.2	0	0	0	0	114.1
229	M	53.6	Low	81.3	Confident	140 Å²	140	55 Å²	55	69%	0.69	31%	0.309	S	S	*	.	S	Bend	trans	-78.3	146.2	173.3	-60.3	-154.2	75	0	0	109.2	G227	G227-M229 VanDerWaalsContact C-N 3.31Å
230	S	53.9	Low	81.6	Confident	94 Å²	94	46.6 Å²	46.6	66%	0.657	28%	0.278	S	S	*	.	P	Polyproline II helix	trans	-49.2	143.3	-171.7	70.7	0	0	0	0	112	Q232	S230-Q232 WeakPolarHBondContact O-CG 3.15Å; S230-Q232 PolarHBondContact O-N 3.48Å
231	L	63.2	Low	81.7	Confident	102 Å²	102	46.8 Å²	46.8	53%	0.534	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-54	116.8	177	-63.9	164.3	0	0	0	108.8	K207	K207-L231 CarbonylContact O-C 3.56Å; K207-L231 VanDerWaalsContact O-CB 3.29Å; K207-L231 WeakPolarHBondContact O-CB 3.33Å
232	Q	75.4	Confident	81.8	Confident	64 Å²	64	49 Å²	49	30%	0.299	29%	0.292	S	S	.	.			trans	-105.5	137.3	-174.5	-81.3	170.2	10.8	0	0	110.2	G209 S230 A234 L253	G209-Q232 WeakPolarHBondContact CA-O 3.49Å; S230-Q232 WeakPolarHBondContact O-CG 3.15Å; S230-Q232 PolarHBondContact O-N 3.48Å; Q232-A234 PolarHBondContact O-N 3.02Å; Q232-L253 HydrophobicContact CG-CD1 4.47Å; Q232-L253 VanDerWaalsContact OE1-CD1 3.29Å
233	S	87.8	Confident	81.9	Confident	30 Å²	30	46.2 Å²	46.2	21%	0.21	28%	0.278	C	S	.	.			trans	-55.9	124.4	179	-168.7	0	0	0	0	112.4	S206 R250 R251	S206-S233 VanDerWaalsContact O-CA 3.32Å; S206-S233 WeakPolarHBondContact O-CA 3.29Å; S206-S233 WeakPolarHBondContact O-CB 3.19Å; S206-S233 PolarHBondContact O-OG 3.22Å; S233-R250 WeakPolarHBondContact O-CA 3.41Å; S233-R251 PolarHBondContact O-N 3.27Å
234	A	90.4	Very high	82.2	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.008	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	138.7	175.7	0	0	0	0	0	110.8	H189 A204 N205 V210 Q232	H189-A234 PolarHBondContact ND1-O 3.49Å; A204-A234 HydrophobicContact CB-CB 3.76Å; N205-A234 CarbonylContact C-O 3.59Å; N205-A234 PolarHBondContact O-N 3.32Å; V210-A234 HydrophobicContact CG2-CB 3.77Å; Q232-A234 PolarHBondContact O-N 3.02Å
235	M	91.3	Very high	82.4	Confident	9 Å²	9	47 Å²	47	4%	0.044	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	-31.9	-174.8	-54.2	178.3	94.6	0	0	112.7	H189 L249 R251 M280	H189-M235 WeakPolarHBondContact CB-O 3.44Å; M235-L249 PolarHBondContact N-O 3.5Å; M235-R251 HydrophobicContact CE-CG 4.1Å; M235-R251 HydrophobicContact CG-CB 3.83Å; M235-R251 HydrophobicContact CG-CG 4.42Å; M235-R251 VanDerWaalsContact SD-CA 3.56Å; M235-R251 HydrophobicContact SD-CB 3.71Å; M235-R251 HydrophobicContact SD-CG 3.83Å; M235-M280 HydrophobicContact CE-CB 4.24Å; M235-M280 HydrophobicContact CE-CG 3.83Å
236	S	93.9	Very high	82.8	Confident	8 Å²	8	46.5 Å²	46.5	6%	0.056	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	143.4	-177.7	177.4	0	0	0	0	109.4	A248 L249 K281 C283	S236-A248 VanDerWaalsContact O-CA 3.32Å; S236-A248 WeakPolarHBondContact O-CA 3.35Å; S236-L249 PolarHBondContact N-O 3.15Å; S236-L249 PolarHBondContact O-N 3.45Å; S236-K281 WeakPolarHBondContact CB-O 3.09Å; S236-C283 PolarHBondContact OG-N 3.29Å
237	V	95.1	Very high	83.8	Confident	0 Å²	0	45 Å²	45	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	140.5	169.2	66	0	0	0	0	110.1	S190 A202 A204 V210 L246 L247	S190-V237 PolarHBondContact OG-N 3.45Å; S190-V237 PolarHBondContact OG-O 2.92Å; A202-V237 HydrophobicContact CB-CG1 4.24Å; A202-V237 HydrophobicContact CB-CG2 3.93Å; A204-V237 HydrophobicContact CB-CB 4.21Å; A204-V237 HydrophobicContact CB-CG1 4.14Å; V210-V237 HydrophobicContact CG1-CB 4.46Å; V210-V237 HydrophobicContact CG1-CG2 3.82Å; V237-L246 HydrophobicContact CG2-CD2 3.92Å; V237-L247 CarbonylContact C-O 3.56Å; V237-L247 VanDerWaalsContact CA-O 3.32Å; V237-L247 WeakPolarHBondContact CA-O 3.22Å
238	R	95.1	Very high	85.2	Confident	51 Å²	51	43.1 Å²	43.1	19%	0.192	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	142.6	174.1	-63.4	-75.3	-95.3	-166.5	-6.9	110.4	E58 M192 L247 C283	E58-R238 IonicContact OE1-CZ 3.59Å; E58-R238 IonicContact OE1-NH1 3.53Å; E58-R238 IonicContact OE1-NH2 3.45Å; E58-R238 PolarHBondContact OE1-NH2 2.86Å; E58-R238 IonicContact OE2-NH1 3.63Å; E58-R238 IonicContact OE2-NH2 2.96Å; M192-R238 HydrophobicContact SD-CB 4Å; M192-R238 HydrophobicContact SD-CG 4.4Å; R238-L247 PolarHBondContact N-O 3.32Å; R238-L247 PolarHBondContact O-N 2.65Å; R238-C283 WeakPolarHBondContact CG-O 3.48Å
239	F	95.8	Very high	87.2	Confident	8 Å²	8	36.9 Å²	36.9	4%	0.035	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	151.2	165.5	-76.3	-79.8	0	0	0	110.7	M192 N194 P195 A202 L212 Q245 L246 L260	M192-F239 HydrophobicContact CB-CD2 4.37Å; M192-F239 HydrophobicContact CE-CB 4.25Å; M192-F239 HydrophobicContact CG-CD2 4.3Å; M192-F239 HydrophobicContact SD-CB 4.2Å; M192-F239 HydrophobicContact SD-CD2 4.29Å; M192-F239 PolarHBondContact SD-N 2.9Å; N194-F239 HydrophobicContact CB-CD1 4.49Å; N194-F239 HydrophobicContact CB-CD2 4.24Å; N194-F239 HydrophobicContact CB-CE1 4.13Å; N194-F239 HydrophobicContact CB-CE2 3.86Å; N194-F239 HydrophobicContact CB-CZ 3.81Å; N194-F239 VanDerWaalsContact ND2-CE1 3.31Å; N194-F239 WeakPolarHBondContact ND2-CE1 3.5Å; P195-F239 HydrophobicContact CG-CB 4.21Å; A202-F239 HydrophobicContact CB-CD2 4.24Å; A202-F239 HydrophobicContact CB-CE2 3.43Å; A202-F239 VanDerWaalsContact CB-CE2 3.43Å; A202-F239 HydrophobicContact CB-CZ 3.63Å; L212-F239 HydrophobicContact CD1-CZ 4.02Å; F239-Q245 WeakPolarHBondContact CA-O 3.34Å; F239-L246 HydrophobicContact CD1-CD2 3.37Å; F239-L246 HydrophobicContact CD1-CG 3.98Å; F239-L246 HydrophobicContact CD2-CD2 3.98Å; F239-L246 HydrophobicContact CE1-CD1 4.25Å; F239-L246 HydrophobicContact CE1-CD2 3.38Å; F239-L246 HydrophobicContact CE1-CG 3.83Å; F239-L246 HydrophobicContact CE2-CD2 3.98Å; F239-L246 HydrophobicContact CG-CD2 3.69Å; F239-L246 HydrophobicContact CZ-CD2 3.7Å; F239-L246 HydrophobicContact CZ-CG 4.43Å; F239-L260 HydrophobicContact CE1-CD1 3.8Å
240	N	94.4	Very high	88.9	Confident	10 Å²	10	31.4 Å²	31.4	5%	0.053	18%	0.18	C	C	.	.			trans	-72.4	166.5	160.9	75.8	-24.4	0	0	0	110.2	P195 T242 G243 T244 Q245 F285 D290	P195-N240 VanDerWaalsContact CG-O 3.31Å; P195-N240 WeakPolarHBondContact CG-O 3.33Å; N240-T242 PolarHBondContact ND2-OG1 3.03Å; N240-T242 PolarHBondContact O-N 2.73Å; N240-T242 VanDerWaalsContact O-N 3.16Å; N240-T242 PolarHBondContact OD1-OG1 3.14Å; N240-G243 PolarHBondContact O-N 2.87Å; N240-G243 PolarHBondContact OD1-N 2.84Å; N240-T244 PolarHBondContact ND2-OG1 3.4Å; N240-T244 PolarHBondContact OD1-N 3.1Å; N240-Q245 HydrophobicContact CB-CB 4.28Å; N240-Q245 PolarHBondContact N-O 2.82Å; N240-Q245 PolarHBondContact OD1-N 3.25Å; N240-Q245 PolarHBondContact OD1-O 3.36Å; N240-F285 HydrophobicContact CB-CD1 4.29Å; N240-F285 HydrophobicContact CB-CD2 3.96Å; N240-F285 HydrophobicContact CB-CE1 4.08Å; N240-F285 HydrophobicContact CB-CE2 3.75Å; N240-F285 HydrophobicContact CB-CG 4.22Å; N240-F285 HydrophobicContact CB-CZ 3.8Å; N240-F285 VanDerWaalsContact N-CE2 3.3Å; N240-D290 HydrophobicContact CB-CB 4.2Å
241	S	90.8	Very high	90.6	Very high	72 Å²	72	32.6 Å²	32.6	50%	0.503	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-29.1	-177.8	58	0	0	0	0	114	D290	S241-D290 WeakPolarHBondContact CB-OD2 3.24Å; S241-D290 PolarHBondContact N-OD2 2.72Å; S241-D290 PolarHBondContact OG-OD2 2.74Å
242	T	92.3	Very high	91.7	Very high	75 Å²	75	35.8 Å²	35.8	46%	0.46	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-6.4	177.4	62.6	0	0	0	0	113.9	V196 N240 T244	V196-T242 WeakPolarHBondContact CG2-O 3.41Å; N240-T242 PolarHBondContact ND2-OG1 3.03Å; N240-T242 PolarHBondContact O-N 2.73Å; N240-T242 VanDerWaalsContact O-N 3.16Å; N240-T242 PolarHBondContact OD1-OG1 3.14Å; T242-T244 PolarHBondContact O-N 3.45Å; T242-T244 PolarHBondContact OG1-OG1 3.25Å
243	G	92.5	Very high	92.3	Very high	3 Å²	3	35.5 Å²	35.5	3%	0.031	18%	0.175	C	C	.	.	S	Bend	trans	69.2	13.6	-178.4	0	0	0	0	0	115.1	N194 N240	N194-G243 PolarHBondContact ND2-O 3.35Å; N240-G243 PolarHBondContact O-N 2.87Å; N240-G243 PolarHBondContact OD1-N 2.84Å
244	T	93.7	Very high	92.4	Very high	68 Å²	68	34.7 Å²	34.7	42%	0.417	17%	0.169	S	C	.	.	S	Bend	trans	-98.9	-18.7	-175.5	57.4	0	0	0	0	113.7	N240 T242 L260	N240-T244 PolarHBondContact ND2-OG1 3.4Å; N240-T244 PolarHBondContact OD1-N 3.1Å; T242-T244 PolarHBondContact O-N 3.45Å; T242-T244 PolarHBondContact OG1-OG1 3.25Å; T244-L260 VanDerWaalsContact O-CB 3.23Å; T244-L260 WeakPolarHBondContact O-CB 3.46Å; T244-L260 PolarHBondContact O-N 2.8Å
245	Q	94.3	Very high	92.5	Very high	39 Å²	39	34.7 Å²	34.7	18%	0.182	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	151.4	-179.8	-70.7	178.9	-22.7	0	0	111.5	F239 N240 L257 Y258 E259 F285	F239-Q245 WeakPolarHBondContact CA-O 3.34Å; N240-Q245 HydrophobicContact CB-CB 4.28Å; N240-Q245 PolarHBondContact N-O 2.82Å; N240-Q245 PolarHBondContact OD1-N 3.25Å; N240-Q245 PolarHBondContact OD1-O 3.36Å; Q245-L257 HydrophobicContact CB-CD1 4.16Å; Q245-Y258 WeakPolarHBondContact CA-O 3.46Å; Q245-E259 WeakPolarHBondContact CG-OE2 3.31Å; Q245-E259 PolarHBondContact NE2-OE1 3.43Å; Q245-F285 HydrophobicContact CB-CZ 4.3Å
246	L	94.9	Very high	92.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	119.9	178.5	-76.9	172	0	0	0	110.6	A202 Y225 V237 F239 L257 Y258 L260	A202-L246 HydrophobicContact CB-CD1 4.22Å; A202-L246 HydrophobicContact CB-CD2 3.55Å; Y225-L246 HydrophobicContact CD2-CD1 4.28Å; Y225-L246 HydrophobicContact CE1-CD1 4.21Å; Y225-L246 HydrophobicContact CE2-CD1 3.46Å; Y225-L246 VanDerWaalsContact CE2-CD1 3.46Å; Y225-L246 VanDerWaalsContact CZ-CD1 3.44Å; Y225-L246 WeakPolarHBondContact OH-CD1 3.35Å; V237-L246 HydrophobicContact CG2-CD2 3.92Å; F239-L246 HydrophobicContact CD1-CD2 3.37Å; F239-L246 HydrophobicContact CD1-CG 3.98Å; F239-L246 HydrophobicContact CD2-CD2 3.98Å; F239-L246 HydrophobicContact CE1-CD1 4.25Å; F239-L246 HydrophobicContact CE1-CD2 3.38Å; F239-L246 HydrophobicContact CE1-CG 3.83Å; F239-L246 HydrophobicContact CE2-CD2 3.98Å; F239-L246 HydrophobicContact CG-CD2 3.69Å; F239-L246 HydrophobicContact CZ-CD2 3.7Å; F239-L246 HydrophobicContact CZ-CG 4.43Å; L246-L257 CarbonylContact O-C 3.56Å; L246-L257 WeakPolarHBondContact O-CA 3.4Å; L246-Y258 PolarHBondContact N-O 3.44Å; L246-Y258 PolarHBondContact O-N 3.21Å; L246-L260 HydrophobicContact CD1-CD1 4.31Å
247	L	95.8	Very high	92.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	128.4	169.1	-178.4	66.6	0	0	0	108.8	V237 R238 P255 L257 C283 F285 I293	V237-L247 CarbonylContact C-O 3.56Å; V237-L247 VanDerWaalsContact CA-O 3.32Å; V237-L247 WeakPolarHBondContact CA-O 3.22Å; R238-L247 PolarHBondContact N-O 3.32Å; R238-L247 PolarHBondContact O-N 2.65Å; L247-P255 HydrophobicContact CD1-CB 4.39Å; L247-L257 HydrophobicContact CB-CD1 4.47Å; L247-C283 HydrophobicContact CD2-CB 3.76Å; L247-C283 HydrophobicContact CG-CB 4.18Å; L247-F285 HydrophobicContact CB-CD2 4.17Å; L247-F285 HydrophobicContact CB-CE1 4.32Å; L247-F285 HydrophobicContact CB-CE2 3.44Å; L247-F285 VanDerWaalsContact CB-CE2 3.44Å; L247-F285 HydrophobicContact CB-CZ 3.55Å; L247-I293 HydrophobicContact CD1-CB 4.29Å; L247-I293 HydrophobicContact CD1-CD1 3.93Å; L247-I293 HydrophobicContact CD1-CG2 3.94Å; L247-I293 HydrophobicContact CD2-CB 3.93Å; L247-I293 HydrophobicContact CD2-CG2 3.87Å; L247-I293 HydrophobicContact CG-CG2 4.49Å
248	A	94.1	Very high	92.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	143.4	177.2	0	0	0	0	0	111.7	V210 S236 V256 Y258	V210-A248 HydrophobicContact CG2-CB 3.52Å; S236-A248 VanDerWaalsContact O-CA 3.32Å; S236-A248 WeakPolarHBondContact O-CA 3.35Å; A248-V256 HydrophobicContact CB-CG1 4.05Å; A248-V256 PolarHBondContact N-O 3.33Å; A248-V256 PolarHBondContact O-N 3.35Å; A248-Y258 HydrophobicContact CB-CD2 4.46Å; A248-Y258 HydrophobicContact CB-CE2 4.1Å
249	L	93.1	Very high	92.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	116.6	171.2	-171.3	63	0	0	0	110.2	M235 S236 P255 Y274 N276 K281 C283	M235-L249 PolarHBondContact N-O 3.5Å; S236-L249 PolarHBondContact N-O 3.15Å; S236-L249 PolarHBondContact O-N 3.45Å; L249-P255 HydrophobicContact CD1-CB 4.24Å; L249-P255 HydrophobicContact CD1-CG 3.81Å; L249-Y274 VanDerWaalsContact CD1-OH 3.22Å; L249-Y274 WeakPolarHBondContact CD1-OH 3.44Å; L249-N276 WeakPolarHBondContact CD1-ND2 3.33Å; L249-N276 WeakPolarHBondContact CG-ND2 3.37Å; L249-K281 HydrophobicContact CD2-CB 3.54Å; L249-K281 WeakPolarHBondContact CD2-O 3.37Å; L249-C283 HydrophobicContact CB-CB 4.26Å
250	R	89.9	Confident	92.1	Very high	26 Å²	26	35.4 Å²	35.4	10%	0.098	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	145.5	177.5	-68.4	177.2	-63.4	171	-4.3	110.4	S233 R252 L253 V256 N276	S233-R250 WeakPolarHBondContact O-CA 3.41Å; R250-R252 PolarHBondContact O-N 3.41Å; R250-L253 HydrophobicContact CB-CB 3.75Å; R250-L253 HydrophobicContact CB-CD1 4.21Å; R250-L253 PolarHBondContact O-N 2.92Å; R250-V256 HydrophobicContact CG-CG1 4.26Å; R250-N276 PolarHBondContact O-ND2 2.89Å
251	R	88	Confident	91.8	Very high	119 Å²	119	43 Å²	43	45%	0.449	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	128.9	-179.1	-172	172.1	-176	172.8	2.5	110.5	S233 M235 L253	S233-R251 PolarHBondContact O-N 3.27Å; M235-R251 HydrophobicContact CE-CG 4.1Å; M235-R251 HydrophobicContact CG-CB 3.83Å; M235-R251 HydrophobicContact CG-CG 4.42Å; M235-R251 VanDerWaalsContact SD-CA 3.56Å; M235-R251 HydrophobicContact SD-CB 3.71Å; M235-R251 HydrophobicContact SD-CG 3.83Å; R251-L253 PolarHBondContact O-N 2.84Å; R251-L253 VanDerWaalsContact O-N 3.13Å
252	R	87.9	Confident	91.6	Very high	168 Å²	168	41.6 Å²	41.6	63%	0.634	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.5	17.2	-178.1	-59.8	175.8	-178.5	179.3	0.3	114.5	R250 N276	R250-R252 PolarHBondContact O-N 3.41Å; R252-N276 WeakPolarHBondContact CA-OD1 3.48Å; R252-N276 PolarHBondContact N-OD1 3.21Å
253	L	87.9	Confident	91.2	Very high	58 Å²	58	45.2 Å²	45.2	30%	0.304	20%	0.204	S	C	.	.	S	Bend	trans	-130.7	154.5	-179.5	-72	175.8	0	0	0	109.7	Q232 R250 R251 N276	Q232-L253 HydrophobicContact CG-CD1 4.47Å; Q232-L253 VanDerWaalsContact OE1-CD1 3.29Å; R250-L253 HydrophobicContact CB-CB 3.75Å; R250-L253 HydrophobicContact CB-CD1 4.21Å; R250-L253 PolarHBondContact O-N 2.92Å; R251-L253 PolarHBondContact O-N 2.84Å; R251-L253 VanDerWaalsContact O-N 3.13Å; L253-N276 PolarHBondContact N-OD1 3.39Å; L253-N276 PolarHBondContact O-ND2 3.39Å
254	P	89.1	Confident	90.9	Very high	14 Å²	14	50.2 Å²	50.2	9%	0.091	23%	0.23	C	C	.	.			trans	-66.4	155.1	179.4	-12.8	24.9	0	0	0	112.7	Q268 F269 D270	P254-Q268 HydrophobicContact CB-CG 4.2Å; P254-Q268 HydrophobicContact CG-CG 4.49Å; P254-F269 WeakPolarHBondContact CB-O 3.01Å; P254-D270 HydrophobicContact CB-CB 4.36Å; P254-D270 HydrophobicContact CG-CB 4.17Å
255	P	93.1	Very high	90.6	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	23%	0.226	C	C	.	.			trans	-51.9	147.2	174.3	-20.7	27	0	0	0	112.1	L247 L249 F269 Y274 I293 W305	L247-P255 HydrophobicContact CD1-CB 4.39Å; L249-P255 HydrophobicContact CD1-CB 4.24Å; L249-P255 HydrophobicContact CD1-CG 3.81Å; P255-F269 HydrophobicContact CB-CB 4.49Å; P255-F269 HydrophobicContact CB-CD2 4.39Å; P255-F269 WeakPolarHBondContact CD-O 3.29Å; P255-F269 PolarHBondContact O-N 3.23Å; P255-Y274 HydrophobicContact CG-CE1 4.47Å; P255-I293 HydrophobicContact CB-CD1 3.88Å; P255-I293 HydrophobicContact CG-CD1 4.42Å; P255-W305 HydrophobicContact CG-CH2 4.1Å; P255-W305 HydrophobicContact CG-CZ3 4.02Å
256	V	92.7	Very high	90.3	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	138.5	-177.4	63.4	0	0	0	0	110.8	A248 R250 Y258 P265 F267	A248-V256 HydrophobicContact CB-CG1 4.05Å; A248-V256 PolarHBondContact N-O 3.33Å; A248-V256 PolarHBondContact O-N 3.35Å; R250-V256 HydrophobicContact CG-CG1 4.26Å; V256-Y258 HydrophobicContact CB-CE2 4.41Å; V256-Y258 HydrophobicContact CG1-CD2 4.44Å; V256-Y258 HydrophobicContact CG1-CE2 3.52Å; V256-Y258 HydrophobicContact CG2-CE1 4.32Å; V256-Y258 HydrophobicContact CG2-CE2 4.1Å; V256-P265 HydrophobicContact CG2-CB 3.35Å; V256-P265 HydrophobicContact CG2-CG 4.48Å; V256-F267 WeakPolarHBondContact CA-O 3.35Å; V256-F267 WeakPolarHBondContact CG2-O 3.15Å
257	L	93.9	Very high	90.1	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	137.4	178.2	-174.3	74.1	0	0	0	110.1	Q245 L246 L247 P265 S266 F267 F269 F285 I307	Q245-L257 HydrophobicContact CB-CD1 4.16Å; L246-L257 CarbonylContact O-C 3.56Å; L246-L257 WeakPolarHBondContact O-CA 3.4Å; L247-L257 HydrophobicContact CB-CD1 4.47Å; L257-P265 CarbonylContact O-C 3.48Å; L257-P265 WeakPolarHBondContact O-CA 3.25Å; L257-S266 PolarHBondContact O-N 3.05Å; L257-F267 HydrophobicContact CD2-CD2 4.1Å; L257-F267 PolarHBondContact N-O 3.08Å; L257-F267 PolarHBondContact O-N 2.88Å; L257-F269 HydrophobicContact CB-CE2 3.87Å; L257-F269 HydrophobicContact CB-CZ 4.39Å; L257-F285 HydrophobicContact CD1-CE1 3.62Å; L257-F285 HydrophobicContact CD1-CZ 3.5Å; L257-F285 VanDerWaalsContact CD1-CZ 3.5Å; L257-I307 HydrophobicContact CD2-CD1 4.18Å; L257-I307 HydrophobicContact CD2-CG2 3.99Å
258	Y	92.3	Very high	89.9	Confident	8 Å²	8	50.9 Å²	50.9	3%	0.031	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	142.3	174.3	-60.1	-80.6	0	0	0	110.7	Y225 Q245 L246 A248 V256 P265	Y225-Y258 AromaticContact CD1-CD1 3.9Å; Y225-Y258 HydrophobicContact CD1-CD1 3.9Å; Y225-Y258 HydrophobicContact CD1-CD2 4.43Å; Y225-Y258 AromaticContact CD1-CG 3.76Å; Y225-Y258 HydrophobicContact CD1-CG 3.76Å; Y225-Y258 HydrophobicContact CG-CD1 4.27Å; Y225-Y258 HydrophobicContact CG-CD2 4.35Å; Y225-Y258 HydrophobicContact CG-CG 4.1Å; Q245-Y258 WeakPolarHBondContact CA-O 3.46Å; L246-Y258 PolarHBondContact N-O 3.44Å; L246-Y258 PolarHBondContact O-N 3.21Å; A248-Y258 HydrophobicContact CB-CD2 4.46Å; A248-Y258 HydrophobicContact CB-CE2 4.1Å; V256-Y258 HydrophobicContact CB-CE2 4.41Å; V256-Y258 HydrophobicContact CG1-CD2 4.44Å; V256-Y258 HydrophobicContact CG1-CE2 3.52Å; V256-Y258 HydrophobicContact CG2-CE1 4.32Å; V256-Y258 HydrophobicContact CG2-CE2 4.1Å; Y258-P265 HydrophobicContact CD1-CB 4.16Å; Y258-P265 HydrophobicContact CE1-CB 3.72Å; Y258-P265 HydrophobicContact CE1-CG 4.45Å
259	E	92	Very high	89.9	Confident	72 Å²	72	50.9 Å²	50.9	34%	0.336	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	142.9	159.7	-66.5	-51.1	142.5	0	0	110.1	Q245 H261 S262 S266	Q245-E259 WeakPolarHBondContact CG-OE2 3.31Å; Q245-E259 PolarHBondContact NE2-OE1 3.43Å; E259-H261 PolarHBondContact O-N 3.35Å; E259-S262 PolarHBondContact O-N 2.93Å; E259-S266 WeakPolarHBondContact CG-OG 3.48Å; E259-S266 PolarHBondContact N-OG 3.18Å
260	L	91.3	Very high	89.7	Confident	11 Å²	11	53.8 Å²	53.8	6%	0.058	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-37.9	-176.5	-173.1	66.4	0	0	0	113.4	L200 L212 L223 Y225 F239 T244 L246	L200-L260 HydrophobicContact CD1-CD2 4.39Å; L212-L260 HydrophobicContact CD1-CD1 3.8Å; L212-L260 HydrophobicContact CD2-CD1 3.87Å; L212-L260 HydrophobicContact CD2-CG 4.36Å; L223-L260 VanDerWaalsContact CD2-O 3.3Å; L223-L260 WeakPolarHBondContact CD2-O 3.4Å; Y225-L260 PolarHBondContact OH-O 3.26Å; F239-L260 HydrophobicContact CE1-CD1 3.8Å; T244-L260 VanDerWaalsContact O-CB 3.23Å; T244-L260 WeakPolarHBondContact O-CB 3.46Å; T244-L260 PolarHBondContact O-N 2.8Å; L246-L260 HydrophobicContact CD1-CD1 4.31Å
261	H	88.8	Confident	89.7	Confident	169 Å²	169	54.1 Å²	54.1	78%	0.782	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-5.7	-175	-53.4	96	0	0	0	113.8	E259	E259-H261 PolarHBondContact O-N 3.35Å
262	S	86.9	Confident	89.5	Confident	43 Å²	43	57.6 Å²	57.6	30%	0.301	27%	0.274	S	S	.	.			trans	-105.1	129.3	-177.5	178.4	0	0	0	0	111	Y225 E259 L264	Y225-S262 WeakPolarHBondContact CD1-O 3.28Å; Y225-S262 VanDerWaalsContact CE1-O 3.27Å; Y225-S262 WeakPolarHBondContact CE1-O 3.1Å; E259-S262 PolarHBondContact O-N 2.93Å; S262-L264 VanDerWaalsContact C-N 3.27Å; S262-L264 PolarHBondContact OG-N 2.66Å; S262-L264 VanDerWaalsContact OG-N 3.16Å; S262-L264 PolarHBondContact OG-O 3.2Å
263	R	83.9	Confident	89.2	Confident	151 Å²	151	50.8 Å²	50.8	57%	0.57	26%	0.256	S	S	*	.	S	Bend	trans	-74.9	-19.3	171.5	-62.7	-173.8	-178.1	-178.3	-2.7	113	L223 G226 G227	L223-R263 HydrophobicContact CD1-CG 3.56Å; L223-R263 HydrophobicContact CD2-CG 4.27Å; L223-R263 HydrophobicContact CG-CG 3.91Å; G226-R263 PolarHBondContact N-O 2.91Å; G227-R263 PolarHBondContact N-O 3.4Å
264	L	85.2	Confident	89.3	Confident	109 Å²	109	48.7 Å²	48.7	57%	0.571	24%	0.244	S	C	*	.	S	Bend	trans	-92.4	144.4	-177.6	-64.3	177	0	0	0	110.3	S262	S262-L264 VanDerWaalsContact C-N 3.27Å; S262-L264 PolarHBondContact OG-N 2.66Å; S262-L264 VanDerWaalsContact OG-N 3.16Å; S262-L264 PolarHBondContact OG-O 3.2Å
265	P	88.1	Confident	89.2	Confident	53 Å²	53	53.5 Å²	53.5	34%	0.344	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	135.6	178	29.1	-34.8	0	0	0	111.2	V256 L257 Y258	V256-P265 HydrophobicContact CG2-CB 3.35Å; V256-P265 HydrophobicContact CG2-CG 4.48Å; L257-P265 CarbonylContact O-C 3.48Å; L257-P265 WeakPolarHBondContact O-CA 3.25Å; Y258-P265 HydrophobicContact CD1-CB 4.16Å; Y258-P265 HydrophobicContact CE1-CB 3.72Å; Y258-P265 HydrophobicContact CE1-CG 4.45Å
266	S	87.7	Confident	88.9	Confident	9 Å²	9	53.7 Å²	53.7	6%	0.063	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	-47.5	172.8	-55.7	0	0	0	0	110.9	L257 E259 R318	L257-S266 PolarHBondContact O-N 3.05Å; E259-S266 WeakPolarHBondContact CG-OG 3.48Å; E259-S266 PolarHBondContact N-OG 3.18Å; S266-R318 VanDerWaalsContact O-CB 3.24Å; S266-R318 WeakPolarHBondContact O-CB 3.39Å; S266-R318 WeakPolarHBondContact O-CD 3.47Å
267	F	91	Very high	88.4	Confident	12 Å²	12	56 Å²	56	5%	0.053	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	148.6	176.8	-64.4	-70.6	0	0	0	111.5	V256 L257 F269 I307 P308 D310 A313 R318 V320	V256-F267 WeakPolarHBondContact CA-O 3.35Å; V256-F267 WeakPolarHBondContact CG2-O 3.15Å; L257-F267 HydrophobicContact CD2-CD2 4.1Å; L257-F267 PolarHBondContact N-O 3.08Å; L257-F267 PolarHBondContact O-N 2.88Å; F267-F269 HydrophobicContact CB-CE1 4.38Å; F267-F269 HydrophobicContact CB-CE2 3.99Å; F267-F269 HydrophobicContact CB-CZ 3.81Å; F267-I307 HydrophobicContact CD2-CG2 4.27Å; F267-I307 HydrophobicContact CE2-CG2 4.35Å; F267-P308 HydrophobicContact CD1-CG 4.14Å; F267-P308 HydrophobicContact CE1-CB 4.13Å; F267-P308 HydrophobicContact CE1-CG 3.84Å; F267-P308 HydrophobicContact CE2-CB 4.47Å; F267-P308 HydrophobicContact CE2-CG 4.43Å; F267-P308 HydrophobicContact CZ-CB 3.91Å; F267-P308 HydrophobicContact CZ-CG 4Å; F267-D310 WeakPolarHBondContact CZ-O 3.08Å; F267-A313 HydrophobicContact CE1-CB 4.2Å; F267-A313 WeakPolarHBondContact CE1-O 3.07Å; F267-R318 VanDerWaalsContact CA-O 3.29Å; F267-R318 WeakPolarHBondContact CA-O 3.42Å; F267-R318 HydrophobicContact CD1-CB 4.02Å; F267-R318 HydrophobicContact CE1-CB 4.43Å; F267-V320 HydrophobicContact CB-CG2 4.39Å; F267-V320 HydrophobicContact CD1-CG2 4.16Å; F267-V320 HydrophobicContact CG-CG2 4.46Å
268	Q	91.3	Very high	87.2	Confident	46 Å²	46	60.3 Å²	60.3	22%	0.215	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	137.6	167.3	177.9	171	-26.4	0	0	109.5	P254 R318 V319 V320	P254-Q268 HydrophobicContact CB-CG 4.2Å; P254-Q268 HydrophobicContact CG-CG 4.49Å; Q268-R318 PolarHBondContact N-O 3.27Å; Q268-V319 HydrophobicContact CB-CG2 4.39Å; Q268-V319 CarbonylContact O-C 3.5Å; Q268-V319 VanDerWaalsContact O-CA 3.3Å; Q268-V319 WeakPolarHBondContact O-CA 3.45Å; Q268-V320 PolarHBondContact O-N 3.08Å
269	F	93	Very high	86.5	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	112.2	-169.5	-59.5	-89.6	0	0	0	111.3	P254 P255 L257 F267 I293 W305 I307 V320	P254-F269 WeakPolarHBondContact CB-O 3.01Å; P255-F269 HydrophobicContact CB-CB 4.49Å; P255-F269 HydrophobicContact CB-CD2 4.39Å; P255-F269 WeakPolarHBondContact CD-O 3.29Å; P255-F269 PolarHBondContact O-N 3.23Å; L257-F269 HydrophobicContact CB-CE2 3.87Å; L257-F269 HydrophobicContact CB-CZ 4.39Å; F267-F269 HydrophobicContact CB-CE1 4.38Å; F267-F269 HydrophobicContact CB-CE2 3.99Å; F267-F269 HydrophobicContact CB-CZ 3.81Å; F269-I293 HydrophobicContact CB-CD1 3.9Å; F269-I293 HydrophobicContact CD1-CD1 3.91Å; F269-I293 HydrophobicContact CD1-CG1 4.22Å; F269-I293 HydrophobicContact CD2-CD1 3.23Å; F269-I293 HydrophobicContact CD2-CG1 4.25Å; F269-I293 HydrophobicContact CE1-CD1 4.2Å; F269-I293 HydrophobicContact CE1-CG1 4.24Å; F269-I293 HydrophobicContact CE2-CD1 3.58Å; F269-I293 HydrophobicContact CE2-CG1 4.27Å; F269-I293 HydrophobicContact CG-CD1 3.4Å; F269-I293 VanDerWaalsContact CG-CD1 3.4Å; F269-I293 HydrophobicContact CG-CG1 4.21Å; F269-I293 HydrophobicContact CZ-CD1 4.05Å; F269-I293 HydrophobicContact CZ-CG1 4.26Å; F269-W305 HydrophobicContact CB-CB 4.27Å; F269-W305 HydrophobicContact CB-CD2 3.83Å; F269-W305 HydrophobicContact CB-CE3 4.43Å; F269-W305 HydrophobicContact CB-CG 3.76Å; F269-W305 HydrophobicContact CD1-CB 3.47Å; F269-W305 VanDerWaalsContact CD1-CB 3.47Å; F269-W305 AromaticContact CD1-CG 3.86Å; F269-W305 HydrophobicContact CD1-CG 3.86Å; F269-W305 HydrophobicContact CE1-CB 4.12Å; F269-W305 HydrophobicContact CG-CB 4.15Å; F269-W305 HydrophobicContact CG-CG 4.18Å; F269-I307 HydrophobicContact CZ-CG1 4.2Å; F269-V320 HydrophobicContact CD1-CB 3.74Å; F269-V320 HydrophobicContact CD1-CG1 4.16Å; F269-V320 HydrophobicContact CD1-CG2 3.92Å; F269-V320 HydrophobicContact CE1-CB 4.22Å; F269-V320 HydrophobicContact CE1-CG2 3.89Å
270	D	90.1	Very high	85.8	Confident	62 Å²	62	62 Å²	62	33%	0.332	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	154.8	-175	-163.1	14.8	0	0	0	112	P254 W305 V319 V320 G322	P254-D270 HydrophobicContact CB-CB 4.36Å; P254-D270 HydrophobicContact CG-CB 4.17Å; D270-W305 PolarHBondContact O-NE1 3.15Å; D270-V319 HydrophobicContact CB-CG1 4.13Å; D270-V320 PolarHBondContact N-O 3.4Å; D270-G322 PolarHBondContact O-N 3.15Å
271	N	90	Very high	85.6	Confident	32 Å²	32	61.7 Å²	61.7	17%	0.171	32%	0.321	C	S	.	.			trans	-156.6	140.3	172.9	-170.2	88.8	0	0	0	111.1	G273 Y274 Y303 W305 G322 A323	N271-G273 PolarHBondContact O-N 3.38Å; N271-G273 VanDerWaalsContact O-N 3.07Å; N271-Y274 PolarHBondContact O-N 2.88Å; N271-Y303 HydrophobicContact CB-CD1 4.07Å; N271-Y303 HydrophobicContact CB-CE1 4.12Å; N271-Y303 VanDerWaalsContact ND2-CE1 3.28Å; N271-Y303 WeakPolarHBondContact ND2-CE1 3.36Å; N271-W305 HydrophobicContact CB-CZ2 4.22Å; N271-G322 VanDerWaalsContact OD1-CA 3.29Å; N271-G322 WeakPolarHBondContact OD1-CA 2.98Å; N271-A323 HydrophobicContact CB-CB 4.26Å; N271-A323 PolarHBondContact OD1-N 2.86Å
272	Q	83	Confident	85.6	Confident	193 Å²	193	54.1 Å²	54.1	90%	0.902	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	114.3	173.7	-167.5	177.4	14.9	0	0	110.8
273	G	81.3	Confident	85.9	Confident	25 Å²	25	52.1 Å²	52.1	26%	0.258	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	104.3	-8.1	-178.7	0	0	0	0	0	115.7	N271 F275 Y303	N271-G273 PolarHBondContact O-N 3.38Å; N271-G273 VanDerWaalsContact O-N 3.07Å; G273-F275 WeakPolarHBondContact O-CD2 3.42Å; G273-F275 WeakPolarHBondContact O-CE2 3.04Å; G273-F275 PolarHBondContact O-N 3.22Å; G273-Y303 VanDerWaalsContact C-OH 3.29Å; G273-Y303 PolarHBondContact O-OH 3.45Å
274	Y	90.1	Very high	86.4	Confident	14 Å²	14	45.2 Å²	45.2	6%	0.055	25%	0.247	C	C	.	.			trans	-78.2	122.2	175.8	176.7	-96.2	0	0	0	111.9	L249 P255 N271 S295 G296 Y303 W305	L249-Y274 VanDerWaalsContact CD1-OH 3.22Å; L249-Y274 WeakPolarHBondContact CD1-OH 3.44Å; P255-Y274 HydrophobicContact CG-CE1 4.47Å; N271-Y274 PolarHBondContact O-N 2.88Å; Y274-S295 WeakPolarHBondContact OH-CB 3.43Å; Y274-S295 PolarHBondContact OH-OG 2.84Å; Y274-G296 VanDerWaalsContact CE2-O 3.25Å; Y274-G296 WeakPolarHBondContact CE2-O 3.42Å; Y274-Y303 AromaticContact CD2-CD2 3.52Å; Y274-Y303 HydrophobicContact CD2-CD2 3.52Å; Y274-Y303 AromaticContact CD2-CE2 3.95Å; Y274-Y303 HydrophobicContact CD2-CE2 3.95Å; Y274-Y303 AromaticContact CD2-CG 3.9Å; Y274-Y303 HydrophobicContact CD2-CG 3.9Å; Y274-Y303 HydrophobicContact CE2-CD2 4.32Å; Y274-Y303 HydrophobicContact CG-CD2 4.45Å; Y274-W305 AromaticContact CD2-CH2 3.75Å; Y274-W305 HydrophobicContact CD2-CH2 3.75Å; Y274-W305 HydrophobicContact CD2-CZ2 4.34Å; Y274-W305 AromaticContact CE2-CH2 3.86Å; Y274-W305 HydrophobicContact CE2-CH2 3.86Å; Y274-W305 HydrophobicContact CG-CH2 4.09Å; Y274-W305 HydrophobicContact CG-CZ2 4.3Å
275	F	86.9	Confident	86.9	Confident	115 Å²	115	40.7 Å²	40.7	50%	0.504	22%	0.223	S	C	.	.			trans	-136	145.7	175.5	-52.2	-77.5	0	0	0	113.1	G273 S297 D298	G273-F275 WeakPolarHBondContact O-CD2 3.42Å; G273-F275 WeakPolarHBondContact O-CE2 3.04Å; G273-F275 PolarHBondContact O-N 3.22Å; F275-S297 PolarHBondContact N-OG 2.85Å; F275-S297 WeakPolarHBondContact O-CA 3.31Å; F275-S297 PolarHBondContact O-OG 3.34Å; F275-D298 HydrophobicContact CB-CB 4.2Å; F275-D298 PolarHBondContact O-N 3.01Å
276	N	87.4	Confident	87.1	Confident	3 Å²	3	38.2 Å²	38.2	2%	0.016	21%	0.207	C	C	.	.			trans	-137.6	44.3	175.5	69.3	-14.6	0	0	0	112.8	L249 R250 R252 L253 K281 D298	L249-N276 WeakPolarHBondContact CD1-ND2 3.33Å; L249-N276 WeakPolarHBondContact CG-ND2 3.37Å; R250-N276 PolarHBondContact O-ND2 2.89Å; R252-N276 WeakPolarHBondContact CA-OD1 3.48Å; R252-N276 PolarHBondContact N-OD1 3.21Å; L253-N276 PolarHBondContact N-OD1 3.39Å; L253-N276 PolarHBondContact O-ND2 3.39Å; N276-K281 HydrophobicContact CB-CD 3.75Å; N276-K281 HydrophobicContact CB-CG 4.42Å; N276-D298 WeakPolarHBondContact CA-OD2 3.23Å
277	S	82.1	Confident	87	Confident	48 Å²	48	37.9 Å²	37.9	34%	0.336	21%	0.205	S	C	.	.			trans	-86.7	-34.1	-175.2	-65.2	0	0	0	0	114.5	D298	S277-D298 WeakPolarHBondContact CA-OD2 3.35Å; S277-D298 PolarHBondContact N-OD2 3.06Å
278	C	69.4	Low	86.6	Confident	91 Å²	91	39.5 Å²	39.5	62%	0.615	21%	0.214	S	C	*	.	S	Bend	trans	-85.5	-46.6	-166.7	-62.7	0	0	0	0	114.4	D298 I333	C278-D298 WeakPolarHBondContact CB-OD1 3.34Å; C278-D298 PolarHBondContact N-OD2 2.96Å; C278-D298 VanDerWaalsContact N-OD2 3.08Å; C278-I333 HydrophobicContact CB-CD1 3.81Å
279	T	76.1	Confident	86.3	Confident	47 Å²	47	43.9 Å²	43.9	29%	0.288	23%	0.233	S	C	.	.	S	Bend	trans	-130.7	160.1	-175.4	59.6	0	0	0	0	111.6	K281 I333 N335	T279-K281 PolarHBondContact O-N 3.11Å; T279-K281 PolarHBondContact O-NZ 3.05Å; T279-K281 PolarHBondContact OG1-NZ 3.41Å; T279-K281 VanDerWaalsContact OG1-NZ 3.16Å; T279-I333 HydrophobicContact CG2-CG2 4.49Å; T279-I333 WeakPolarHBondContact OG1-CG2 2.93Å; T279-N335 WeakPolarHBondContact CB-OD1 3.29Å; T279-N335 PolarHBondContact OG1-OD1 3.31Å
280	M	78.9	Confident	86.3	Confident	69 Å²	69	44.9 Å²	44.9	34%	0.34	24%	0.238	S	C	.	.			trans	-59.1	129.7	167.6	-76.1	-176.2	60.1	0	0	110.2	Y144 H189 M235	Y144-M280 HydrophobicContact CD1-CE 4.48Å; Y144-M280 HydrophobicContact CD1-SD 4.1Å; Y144-M280 HydrophobicContact CE1-SD 4.29Å; Y144-M280 HydrophobicContact CG-CE 4.5Å; H189-M280 HydrophobicContact CB-CE 3.53Å; M235-M280 HydrophobicContact CE-CB 4.24Å; M235-M280 HydrophobicContact CE-CG 3.83Å
281	K	86.7	Confident	86.3	Confident	5 Å²	5	43.6 Å²	43.6	2%	0.022	23%	0.23	C	C	.	.			trans	-120	145	178.7	-63.7	-172	-176.9	34.7	0	111.4	S236 L249 N276 T279 G296 D298 N335	S236-K281 WeakPolarHBondContact CB-O 3.09Å; L249-K281 HydrophobicContact CD2-CB 3.54Å; L249-K281 WeakPolarHBondContact CD2-O 3.37Å; N276-K281 HydrophobicContact CB-CD 3.75Å; N276-K281 HydrophobicContact CB-CG 4.42Å; T279-K281 PolarHBondContact O-N 3.11Å; T279-K281 PolarHBondContact O-NZ 3.05Å; T279-K281 PolarHBondContact OG1-NZ 3.41Å; T279-K281 VanDerWaalsContact OG1-NZ 3.16Å; K281-G296 WeakPolarHBondContact CD-O 3.4Å; K281-D298 VanDerWaalsContact CE-OD1 3.3Å; K281-D298 WeakPolarHBondContact CE-OD1 3.27Å; K281-D298 IonicContact NZ-OD1 2.69Å; K281-D298 PolarHBondContact NZ-OD1 3.1Å; K281-D298 IonicContact NZ-OD2 2.69Å; K281-N335 VanDerWaalsContact CA-O 3.24Å; K281-N335 WeakPolarHBondContact CA-O 3.48Å
282	S	89.6	Confident	86.4	Confident	10 Å²	10	42.4 Å²	42.4	7%	0.07	22%	0.223	C	C	.	.			trans	-93.5	152.8	169.7	78.4	0	0	0	0	111.5	N335 Q336 V337 R338	S282-N335 PolarHBondContact N-O 3.44Å; S282-N335 VanDerWaalsContact N-O 3.11Å; S282-Q336 WeakPolarHBondContact OG-CA 3.31Å; S282-Q336 WeakPolarHBondContact OG-CG 3.23Å; S282-V337 PolarHBondContact OG-N 3.46Å; S282-V337 PolarHBondContact OG-O 3.47Å; S282-R338 PolarHBondContact OG-NH1 3.35Å
283	C	93	Very high	87	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	155.4	162.8	58.6	0	0	0	0	109.9	S236 R238 L247 L249 L294	S236-C283 PolarHBondContact OG-N 3.29Å; R238-C283 WeakPolarHBondContact CG-O 3.48Å; L247-C283 HydrophobicContact CD2-CB 3.76Å; L247-C283 HydrophobicContact CG-CB 4.18Å; L249-C283 HydrophobicContact CB-CB 4.26Å; C283-L294 VanDerWaalsContact CA-O 3.26Å; C283-L294 WeakPolarHBondContact CA-O 3.35Å
284	C	94.2	Very high	87.6	Confident	6 Å²	6	32 Å²	32	4%	0.041	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	156.8	172.7	74.8	0	0	0	0	111.9	I293 L294	C284-I293 CarbonylContact O-C 3.56Å; C284-I293 WeakPolarHBondContact O-CA 3.46Å; C284-L294 PolarHBondContact N-O 3.32Å; C284-L294 PolarHBondContact O-N 2.89Å
285	F	95.1	Very high	87.8	Confident	15 Å²	15	31.4 Å²	31.4	7%	0.066	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	156.6	166.2	-69.8	-85.5	0	0	0	110.6	N240 Q245 L247 L257 D290 Y292 I293 I307	N240-F285 HydrophobicContact CB-CD1 4.29Å; N240-F285 HydrophobicContact CB-CD2 3.96Å; N240-F285 HydrophobicContact CB-CE1 4.08Å; N240-F285 HydrophobicContact CB-CE2 3.75Å; N240-F285 HydrophobicContact CB-CG 4.22Å; N240-F285 HydrophobicContact CB-CZ 3.8Å; N240-F285 VanDerWaalsContact N-CE2 3.3Å; Q245-F285 HydrophobicContact CB-CZ 4.3Å; L247-F285 HydrophobicContact CB-CD2 4.17Å; L247-F285 HydrophobicContact CB-CE1 4.32Å; L247-F285 HydrophobicContact CB-CE2 3.44Å; L247-F285 VanDerWaalsContact CB-CE2 3.44Å; L247-F285 HydrophobicContact CB-CZ 3.55Å; L257-F285 HydrophobicContact CD1-CE1 3.62Å; L257-F285 HydrophobicContact CD1-CZ 3.5Å; L257-F285 VanDerWaalsContact CD1-CZ 3.5Å; F285-D290 HydrophobicContact CB-CB 3.84Å; F285-D290 VanDerWaalsContact CB-OD1 3.32Å; F285-D290 WeakPolarHBondContact CB-OD1 3.4Å; F285-D290 HydrophobicContact CD1-CB 3.8Å; F285-D290 HydrophobicContact CG-CB 4.02Å; F285-Y292 CarbonylContact C-O 3.58Å; F285-Y292 WeakPolarHBondContact CA-O 3.45Å; F285-I293 HydrophobicContact CD1-CG2 3.95Å; F285-I293 HydrophobicContact CE1-CG2 4.14Å; F285-I307 HydrophobicContact CD1-CD1 4.12Å; F285-I307 HydrophobicContact CE1-CD1 3.89Å
286	A	91.3	Very high	88	Confident	0 Å²	0	26 Å²	26	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	156.3	178.2	0	0	0	0	0	112.1	D290 Q291 Y292 L294 M304 F339	A286-D290 CarbonylContact O-C 3.33Å; A286-D290 WeakPolarHBondContact O-CA 3.37Å; A286-Q291 PolarHBondContact O-N 3.13Å; A286-Y292 PolarHBondContact N-O 3.47Å; A286-Y292 WeakPolarHBondContact O-CB 3.36Å; A286-Y292 PolarHBondContact O-N 3.06Å; A286-L294 HydrophobicContact CB-CD1 3.75Å; A286-L294 HydrophobicContact CB-CG 4.07Å; A286-M304 HydrophobicContact CB-CE 4.04Å; A286-F339 HydrophobicContact CB-CB 4Å; A286-F339 HydrophobicContact CB-CD1 3.92Å; A286-F339 HydrophobicContact CB-CD2 3.94Å; A286-F339 HydrophobicContact CB-CE1 4.37Å; A286-F339 HydrophobicContact CB-CE2 4.41Å; A286-F339 HydrophobicContact CB-CG 3.67Å
287	G	87.1	Confident	88.2	Confident	2 Å²	2	25.8 Å²	25.8	2%	0.021	14%	0.141	C	C	.	.	S	Bend	trans	93.8	166.8	-169.7	0	0	0	0	0	112.8	K289	G287-K289 VanDerWaalsContact C-N 3.26Å; G287-K289 PolarHBondContact O-N 2.67Å
288	D	82.5	Confident	88.4	Confident	46 Å²	46	24.6 Å²	24.6	25%	0.246	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-17.4	178.1	57.3	-44.1	0	0	0	113.9	R33 Q291 Y344	R33-D288 VanDerWaalsContact CD-OD1 3.27Å; R33-D288 WeakPolarHBondContact CD-OD1 3.46Å; R33-D288 WeakPolarHBondContact CD-OD2 3.46Å; R33-D288 WeakPolarHBondContact CG-OD1 3.12Å; R33-D288 IonicContact CZ-OD2 2.76Å; R33-D288 IonicContact NE-OD1 2.83Å; R33-D288 IonicContact NE-OD2 3.45Å; R33-D288 PolarHBondContact NE-OD2 2.97Å; R33-D288 IonicContact NH2-OD2 3.38Å; D288-Q291 PolarHBondContact OD1-NE2 3.13Å; D288-Y344 WeakPolarHBondContact CB-OH 3.42Å
289	K	85.6	Confident	89.2	Confident	139 Å²	139	22.6 Å²	22.6	60%	0.604	11%	0.114	S	C	*	.	T	Hydrogen-bonded Turn	trans	-123.2	21.1	178	-59.8	-172.5	176.3	-169.5	0	112.2	G287 Q291	G287-K289 VanDerWaalsContact C-N 3.26Å; G287-K289 PolarHBondContact O-N 2.67Å; K289-Q291 VanDerWaalsContact C-OE1 3.29Å; K289-Q291 VanDerWaalsContact CA-OE1 3.31Å; K289-Q291 PolarHBondContact O-N 2.73Å; K289-Q291 VanDerWaalsContact O-N 3.08Å
290	D	91.4	Very high	89.7	Confident	21 Å²	21	23 Å²	23	11%	0.112	11%	0.112	C	C	.	.	S	Bend	trans	52.5	29.5	-174.5	-62.9	-41.4	0	0	0	113.9	N240 S241 F285 A286 Y292 I307	N240-D290 HydrophobicContact CB-CB 4.2Å; S241-D290 WeakPolarHBondContact CB-OD2 3.24Å; S241-D290 PolarHBondContact N-OD2 2.72Å; S241-D290 PolarHBondContact OG-OD2 2.74Å; F285-D290 HydrophobicContact CB-CB 3.84Å; F285-D290 VanDerWaalsContact CB-OD1 3.32Å; F285-D290 WeakPolarHBondContact CB-OD1 3.4Å; F285-D290 HydrophobicContact CD1-CB 3.8Å; F285-D290 HydrophobicContact CG-CB 4.02Å; A286-D290 CarbonylContact O-C 3.33Å; A286-D290 WeakPolarHBondContact O-CA 3.37Å; D290-Y292 PolarHBondContact O-N 2.68Å; D290-I307 WeakPolarHBondContact O-CD1 3.43Å
291	Q	90.8	Very high	90.2	Very high	34 Å²	34	20.9 Å²	20.9	16%	0.159	10%	0.102	C	C	.	.			trans	-75.3	-5	-175.2	69.8	-86.2	25.7	0	0	113.9	A286 D288 K289 I307	A286-Q291 PolarHBondContact O-N 3.13Å; D288-Q291 PolarHBondContact OD1-NE2 3.13Å; K289-Q291 VanDerWaalsContact C-OE1 3.29Å; K289-Q291 VanDerWaalsContact CA-OE1 3.31Å; K289-Q291 PolarHBondContact O-N 2.73Å; K289-Q291 VanDerWaalsContact O-N 3.08Å; Q291-I307 PolarHBondContact O-N 3.45Å
292	Y	92.9	Very high	90.4	Very high	8 Å²	8	21 Å²	21	3%	0.031	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	159	174.9	-58.6	-80.3	0	0	0	110.8	L36 F285 A286 D290 M304 W305 K306 F324	L36-Y292 HydrophobicContact CD2-CD2 3.99Å; L36-Y292 HydrophobicContact CD2-CE2 3.8Å; L36-Y292 HydrophobicContact CG-CE2 4.46Å; F285-Y292 CarbonylContact C-O 3.58Å; F285-Y292 WeakPolarHBondContact CA-O 3.45Å; A286-Y292 PolarHBondContact N-O 3.47Å; A286-Y292 WeakPolarHBondContact O-CB 3.36Å; A286-Y292 PolarHBondContact O-N 3.06Å; D290-Y292 PolarHBondContact O-N 2.68Å; Y292-M304 HydrophobicContact CD1-CG 4.2Å; Y292-M304 HydrophobicContact CD1-SD 4.08Å; Y292-M304 HydrophobicContact CG-CG 4.34Å; Y292-M304 HydrophobicContact CG-SD 4.05Å; Y292-W305 CarbonylContact C-O 3.57Å; Y292-W305 WeakPolarHBondContact CA-O 3.4Å; Y292-W305 WeakPolarHBondContact CB-O 3.01Å; Y292-K306 HydrophobicContact CD1-CB 3.83Å; Y292-K306 HydrophobicContact CD1-CG 4.04Å; Y292-K306 HydrophobicContact CE1-CB 3.77Å; Y292-K306 HydrophobicContact CE1-CD 4.05Å; Y292-K306 HydrophobicContact CE1-CG 3.72Å; Y292-F324 AromaticContact CD1-CD1 3.97Å; Y292-F324 HydrophobicContact CD1-CD1 3.97Å; Y292-F324 HydrophobicContact CD1-CE1 4.45Å; Y292-F324 HydrophobicContact CD1-CG 4.4Å; Y292-F324 AromaticContact CE1-CD1 3.52Å; Y292-F324 HydrophobicContact CE1-CD1 3.52Å; Y292-F324 HydrophobicContact CE1-CD2 4.38Å; Y292-F324 AromaticContact CE1-CE1 3.67Å; Y292-F324 HydrophobicContact CE1-CE1 3.67Å; Y292-F324 HydrophobicContact CE1-CE2 4.5Å; Y292-F324 AromaticContact CE1-CG 3.92Å; Y292-F324 HydrophobicContact CE1-CG 3.92Å; Y292-F324 HydrophobicContact CE1-CZ 4.19Å
293	I	95.3	Very high	90.5	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	150	168	64.2	147.4	0	0	0	110.3	L247 P255 F269 C284 F285 M304 W305 I307	L247-I293 HydrophobicContact CD1-CB 4.29Å; L247-I293 HydrophobicContact CD1-CD1 3.93Å; L247-I293 HydrophobicContact CD1-CG2 3.94Å; L247-I293 HydrophobicContact CD2-CB 3.93Å; L247-I293 HydrophobicContact CD2-CG2 3.87Å; L247-I293 HydrophobicContact CG-CG2 4.49Å; P255-I293 HydrophobicContact CB-CD1 3.88Å; P255-I293 HydrophobicContact CG-CD1 4.42Å; F269-I293 HydrophobicContact CB-CD1 3.9Å; F269-I293 HydrophobicContact CD1-CD1 3.91Å; F269-I293 HydrophobicContact CD1-CG1 4.22Å; F269-I293 HydrophobicContact CD2-CD1 3.23Å; F269-I293 HydrophobicContact CD2-CG1 4.25Å; F269-I293 HydrophobicContact CE1-CD1 4.2Å; F269-I293 HydrophobicContact CE1-CG1 4.24Å; F269-I293 HydrophobicContact CE2-CD1 3.58Å; F269-I293 HydrophobicContact CE2-CG1 4.27Å; F269-I293 HydrophobicContact CG-CD1 3.4Å; F269-I293 VanDerWaalsContact CG-CD1 3.4Å; F269-I293 HydrophobicContact CG-CG1 4.21Å; F269-I293 HydrophobicContact CZ-CD1 4.05Å; F269-I293 HydrophobicContact CZ-CG1 4.26Å; C284-I293 CarbonylContact O-C 3.56Å; C284-I293 WeakPolarHBondContact O-CA 3.46Å; F285-I293 HydrophobicContact CD1-CG2 3.95Å; F285-I293 HydrophobicContact CE1-CG2 4.14Å; I293-M304 CarbonylContact O-C 3.6Å; I293-M304 VanDerWaalsContact O-CA 3.26Å; I293-M304 WeakPolarHBondContact O-CA 3.24Å; I293-W305 HydrophobicContact CD1-CB 4.32Å; I293-W305 HydrophobicContact CD1-CD2 4.42Å; I293-W305 HydrophobicContact CD1-CE3 3.89Å; I293-W305 HydrophobicContact CG1-CB 3.81Å; I293-W305 HydrophobicContact CG1-CE3 4.04Å; I293-W305 PolarHBondContact N-O 2.68Å; I293-W305 PolarHBondContact O-N 3.2Å; I293-I307 HydrophobicContact CG2-CD1 3.86Å; I293-I307 HydrophobicContact CG2-CG1 4.02Å
294	L	93.8	Very high	90.5	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	139.9	-179.4	-79	170.3	0	0	0	111.2	C283 C284 A286 Y303 M304 V337 F339 I346	C283-L294 VanDerWaalsContact CA-O 3.26Å; C283-L294 WeakPolarHBondContact CA-O 3.35Å; C284-L294 PolarHBondContact N-O 3.32Å; C284-L294 PolarHBondContact O-N 2.89Å; A286-L294 HydrophobicContact CB-CD1 3.75Å; A286-L294 HydrophobicContact CB-CG 4.07Å; L294-Y303 WeakPolarHBondContact CA-O 3.5Å; L294-M304 HydrophobicContact CD1-CE 3.86Å; L294-M304 HydrophobicContact CD2-CB 3.54Å; L294-M304 HydrophobicContact CD2-CE 3.67Å; L294-M304 HydrophobicContact CD2-CG 3.81Å; L294-M304 HydrophobicContact CG-CB 4.49Å; L294-M304 HydrophobicContact CG-CE 3.84Å; L294-M304 HydrophobicContact CG-CG 4.28Å; L294-V337 HydrophobicContact CB-CG1 4.15Å; L294-V337 HydrophobicContact CB-CG2 4.13Å; L294-V337 HydrophobicContact CD1-CG2 4.21Å; L294-F339 HydrophobicContact CD1-CB 4.15Å; L294-I346 HydrophobicContact CD1-CD1 4.05Å; L294-I346 HydrophobicContact CD1-CG1 4.04Å; L294-I346 HydrophobicContact CD1-CG2 4.28Å; L294-I346 HydrophobicContact CD2-CD1 4.46Å
295	S	94.2	Very high	90.5	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	144.1	168.8	-164.8	0	0	0	0	111.4	Y274 Y303	Y274-S295 WeakPolarHBondContact OH-CB 3.43Å; Y274-S295 PolarHBondContact OH-OG 2.84Å; S295-Y303 PolarHBondContact N-O 3.11Å; S295-Y303 PolarHBondContact O-N 3.45Å
296	G	91.4	Very high	90.3	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.01	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	163.8	168.8	0	0	0	0	0	111.9	Y274 K281	Y274-G296 VanDerWaalsContact CE2-O 3.25Å; Y274-G296 WeakPolarHBondContact CE2-O 3.42Å; K281-G296 WeakPolarHBondContact CD-O 3.4Å
297	S	90.4	Very high	90.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.121	C	C	.	.			trans	-138.2	162.8	178.6	-168.7	0	0	0	0	113.9	F275 D299 N301 V334	F275-S297 PolarHBondContact N-OG 2.85Å; F275-S297 WeakPolarHBondContact O-CA 3.31Å; F275-S297 PolarHBondContact O-OG 3.34Å; S297-D299 WeakPolarHBondContact CB-OD1 3.43Å; S297-D299 PolarHBondContact O-N 3.4Å; S297-D299 PolarHBondContact OG-OD1 3.33Å; S297-N301 WeakPolarHBondContact CB-O 3.38Å; S297-N301 PolarHBondContact N-O 2.97Å; S297-V334 PolarHBondContact O-N 3.22Å
298	D	87.1	Confident	90.5	Very high	22 Å²	22	27 Å²	27	12%	0.118	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-18.2	174	-67.8	-34.4	0	0	0	113.3	F275 N276 S277 C278 K281 F300 I333	F275-D298 HydrophobicContact CB-CB 4.2Å; F275-D298 PolarHBondContact O-N 3.01Å; N276-D298 WeakPolarHBondContact CA-OD2 3.23Å; S277-D298 WeakPolarHBondContact CA-OD2 3.35Å; S277-D298 PolarHBondContact N-OD2 3.06Å; C278-D298 WeakPolarHBondContact CB-OD1 3.34Å; C278-D298 PolarHBondContact N-OD2 2.96Å; C278-D298 VanDerWaalsContact N-OD2 3.08Å; K281-D298 VanDerWaalsContact CE-OD1 3.3Å; K281-D298 WeakPolarHBondContact CE-OD1 3.27Å; K281-D298 IonicContact NZ-OD1 2.69Å; K281-D298 PolarHBondContact NZ-OD1 3.1Å; K281-D298 IonicContact NZ-OD2 2.69Å; D298-F300 VanDerWaalsContact O-CD1 3.26Å; D298-F300 WeakPolarHBondContact O-CD1 3.46Å; D298-F300 WeakPolarHBondContact O-CE1 3.42Å; D298-F300 PolarHBondContact O-N 2.97Å; D298-I333 WeakPolarHBondContact OD1-CG2 3.37Å
299	D	86	Confident	90.6	Very high	49 Å²	49	32.2 Å²	32.2	26%	0.262	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	9.6	178.8	82	-26.7	0	0	0	113.4	S297 N301 Y303	S297-D299 WeakPolarHBondContact CB-OD1 3.43Å; S297-D299 PolarHBondContact O-N 3.4Å; S297-D299 PolarHBondContact OG-OD1 3.33Å; D299-N301 VanDerWaalsContact CG-ND2 3.33Å; D299-N301 PolarHBondContact O-N 3.1Å; D299-N301 WeakPolarHBondContact OD1-CB 3.46Å; D299-N301 PolarHBondContact OD1-N 3.35Å; D299-N301 PolarHBondContact OD2-ND2 2.75Å; D299-Y303 PolarHBondContact OD2-OH 3.28Å
300	F	87.6	Confident	90.4	Very high	55 Å²	55	30.1 Å²	30.1	24%	0.241	15%	0.153	C	C	.	.	S	Bend	trans	69.7	15.8	179.8	-40	-23.7	0	0	0	113.8	D298 H330 S332 I333	D298-F300 VanDerWaalsContact O-CD1 3.26Å; D298-F300 WeakPolarHBondContact O-CD1 3.46Å; D298-F300 WeakPolarHBondContact O-CE1 3.42Å; D298-F300 PolarHBondContact O-N 2.97Å; F300-H330 HydrophobicContact CB-CB 4.45Å; F300-H330 WeakPolarHBondContact CB-O 3.39Å; F300-H330 WeakPolarHBondContact O-CB 3.19Å; F300-S332 WeakPolarHBondContact CA-O 3.33Å; F300-S332 WeakPolarHBondContact CB-O 3.07Å; F300-S332 WeakPolarHBondContact CD1-O 3.49Å; F300-I333 HydrophobicContact CD1-CG1 4.17Å; F300-I333 HydrophobicContact CE1-CG1 3.78Å
301	N	88.4	Confident	89.7	Confident	25 Å²	25	32.8 Å²	32.8	13%	0.134	17%	0.172	C	C	.	.			trans	-107.1	157.6	174	-59.7	-51.3	0	0	0	111.6	S297 D299 Y303 V326 K328	S297-N301 WeakPolarHBondContact CB-O 3.38Å; S297-N301 PolarHBondContact N-O 2.97Å; D299-N301 VanDerWaalsContact CG-ND2 3.33Å; D299-N301 PolarHBondContact O-N 3.1Å; D299-N301 WeakPolarHBondContact OD1-CB 3.46Å; D299-N301 PolarHBondContact OD1-N 3.35Å; D299-N301 PolarHBondContact OD2-ND2 2.75Å; N301-Y303 HydrophobicContact CB-CD2 4.41Å; N301-Y303 HydrophobicContact CB-CE2 3.81Å; N301-V326 HydrophobicContact CB-CG1 3.82Å; N301-K328 WeakPolarHBondContact OD1-CA 3.43Å; N301-K328 WeakPolarHBondContact OD1-CG 3.26Å
302	L	90.3	Very high	88.9	Confident	9 Å²	9	37.2 Å²	37.2	5%	0.047	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	137.3	166.7	-62.5	88.1	0	0	0	109.5	V326 L327 H330 V334 V337 I346	L302-V326 CarbonylContact O-C 3.55Å; L302-V326 WeakPolarHBondContact O-CA 3.36Å; L302-L327 HydrophobicContact CB-CB 4.15Å; L302-L327 HydrophobicContact CB-CD1 4.48Å; L302-L327 PolarHBondContact N-O 3.45Å; L302-L327 PolarHBondContact O-N 3.35Å; L302-H330 HydrophobicContact CD1-CB 4.4Å; L302-V334 HydrophobicContact CD1-CG1 4.44Å; L302-V334 HydrophobicContact CD1-CG2 3.88Å; L302-V334 HydrophobicContact CD2-CG1 4.17Å; L302-V334 HydrophobicContact CG-CG1 4.06Å; L302-V334 HydrophobicContact CG-CG2 4.12Å; L302-V337 HydrophobicContact CD2-CB 4.07Å; L302-V337 HydrophobicContact CD2-CG2 3.57Å; L302-I346 HydrophobicContact CD2-CG2 4.24Å
303	Y	92.8	Very high	87.9	Confident	6 Å²	6	38.1 Å²	38.1	2%	0.024	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	127.2	-176.5	-69.8	-95.8	0	0	0	109.7	N271 G273 Y274 L294 S295 D299 N301 W305 A323 V326	N271-Y303 HydrophobicContact CB-CD1 4.07Å; N271-Y303 HydrophobicContact CB-CE1 4.12Å; N271-Y303 VanDerWaalsContact ND2-CE1 3.28Å; N271-Y303 WeakPolarHBondContact ND2-CE1 3.36Å; G273-Y303 VanDerWaalsContact C-OH 3.29Å; G273-Y303 PolarHBondContact O-OH 3.45Å; Y274-Y303 AromaticContact CD2-CD2 3.52Å; Y274-Y303 HydrophobicContact CD2-CD2 3.52Å; Y274-Y303 AromaticContact CD2-CE2 3.95Å; Y274-Y303 HydrophobicContact CD2-CE2 3.95Å; Y274-Y303 AromaticContact CD2-CG 3.9Å; Y274-Y303 HydrophobicContact CD2-CG 3.9Å; Y274-Y303 HydrophobicContact CE2-CD2 4.32Å; Y274-Y303 HydrophobicContact CG-CD2 4.45Å; L294-Y303 WeakPolarHBondContact CA-O 3.5Å; S295-Y303 PolarHBondContact N-O 3.11Å; S295-Y303 PolarHBondContact O-N 3.45Å; D299-Y303 PolarHBondContact OD2-OH 3.28Å; N301-Y303 HydrophobicContact CB-CD2 4.41Å; N301-Y303 HydrophobicContact CB-CE2 3.81Å; Y303-W305 VanDerWaalsContact CB-CZ3 3.42Å; Y303-W305 HydrophobicContact CD1-CZ2 4.37Å; Y303-W305 HydrophobicContact CG-CH2 4.02Å; Y303-W305 HydrophobicContact CG-CZ2 4.26Å; Y303-W305 WeakPolarHBondContact O-CZ3 3.32Å; Y303-A323 HydrophobicContact CD1-CB 3.81Å; Y303-V326 HydrophobicContact CD1-CB 4.48Å; Y303-V326 HydrophobicContact CD1-CG1 4.19Å; Y303-V326 HydrophobicContact CD1-CG2 3.69Å; Y303-V326 HydrophobicContact CE1-CB 4.38Å; Y303-V326 HydrophobicContact CE1-CG1 3.81Å; Y303-V326 HydrophobicContact CE1-CG2 3.63Å
304	M	92.6	Very high	86.3	Confident	1 Å²	1	40 Å²	40	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	125	174.2	-170.5	-179.8	-94.6	0	0	109.3	A286 Y292 I293 L294 A323 F324 M325 I346	A286-M304 HydrophobicContact CB-CE 4.04Å; Y292-M304 HydrophobicContact CD1-CG 4.2Å; Y292-M304 HydrophobicContact CD1-SD 4.08Å; Y292-M304 HydrophobicContact CG-CG 4.34Å; Y292-M304 HydrophobicContact CG-SD 4.05Å; I293-M304 CarbonylContact O-C 3.6Å; I293-M304 VanDerWaalsContact O-CA 3.26Å; I293-M304 WeakPolarHBondContact O-CA 3.24Å; L294-M304 HydrophobicContact CD1-CE 3.86Å; L294-M304 HydrophobicContact CD2-CB 3.54Å; L294-M304 HydrophobicContact CD2-CE 3.67Å; L294-M304 HydrophobicContact CD2-CG 3.81Å; L294-M304 HydrophobicContact CG-CB 4.49Å; L294-M304 HydrophobicContact CG-CE 3.84Å; L294-M304 HydrophobicContact CG-CG 4.28Å; M304-A323 CarbonylContact O-C 3.55Å; M304-A323 WeakPolarHBondContact O-CB 3.45Å; M304-F324 HydrophobicContact CG-CD1 4.46Å; M304-F324 WeakPolarHBondContact O-CA 3.12Å; M304-F324 WeakPolarHBondContact O-CB 3.08Å; M304-F324 PolarHBondContact O-N 2.78Å; M304-F324 HydrophobicContact SD-CD1 4.12Å; M304-M325 HydrophobicContact CB-CB 4.19Å; M304-M325 PolarHBondContact N-O 3.43Å; M304-M325 PolarHBondContact O-N 3.09Å; M304-M325 VanDerWaalsContact O-N 3.07Å; M304-I346 HydrophobicContact CE-CD1 3.81Å
305	W	93.9	Very high	85.1	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	148.6	172.3	-60.8	-101.5	0	0	0	110.6	P255 F269 D270 N271 Y274 Y292 I293 Y303 A323	P255-W305 HydrophobicContact CG-CH2 4.1Å; P255-W305 HydrophobicContact CG-CZ3 4.02Å; F269-W305 HydrophobicContact CB-CB 4.27Å; F269-W305 HydrophobicContact CB-CD2 3.83Å; F269-W305 HydrophobicContact CB-CE3 4.43Å; F269-W305 HydrophobicContact CB-CG 3.76Å; F269-W305 HydrophobicContact CD1-CB 3.47Å; F269-W305 VanDerWaalsContact CD1-CB 3.47Å; F269-W305 AromaticContact CD1-CG 3.86Å; F269-W305 HydrophobicContact CD1-CG 3.86Å; F269-W305 HydrophobicContact CE1-CB 4.12Å; F269-W305 HydrophobicContact CG-CB 4.15Å; F269-W305 HydrophobicContact CG-CG 4.18Å; D270-W305 PolarHBondContact O-NE1 3.15Å; N271-W305 HydrophobicContact CB-CZ2 4.22Å; Y274-W305 AromaticContact CD2-CH2 3.75Å; Y274-W305 HydrophobicContact CD2-CH2 3.75Å; Y274-W305 HydrophobicContact CD2-CZ2 4.34Å; Y274-W305 AromaticContact CE2-CH2 3.86Å; Y274-W305 HydrophobicContact CE2-CH2 3.86Å; Y274-W305 HydrophobicContact CG-CH2 4.09Å; Y274-W305 HydrophobicContact CG-CZ2 4.3Å; Y292-W305 CarbonylContact C-O 3.57Å; Y292-W305 WeakPolarHBondContact CA-O 3.4Å; Y292-W305 WeakPolarHBondContact CB-O 3.01Å; I293-W305 HydrophobicContact CD1-CB 4.32Å; I293-W305 HydrophobicContact CD1-CD2 4.42Å; I293-W305 HydrophobicContact CD1-CE3 3.89Å; I293-W305 HydrophobicContact CG1-CB 3.81Å; I293-W305 HydrophobicContact CG1-CE3 4.04Å; I293-W305 PolarHBondContact N-O 2.68Å; I293-W305 PolarHBondContact O-N 3.2Å; Y303-W305 VanDerWaalsContact CB-CZ3 3.42Å; Y303-W305 HydrophobicContact CD1-CZ2 4.37Å; Y303-W305 HydrophobicContact CG-CH2 4.02Å; Y303-W305 HydrophobicContact CG-CZ2 4.26Å; Y303-W305 WeakPolarHBondContact O-CZ3 3.32Å; W305-A323 HydrophobicContact CD2-CB 4.46Å
306	K	91.6	Very high	83.4	Confident	101 Å²	101	48.9 Å²	48.9	44%	0.439	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	131.2	173.5	-171.5	176.6	-179.3	-178.5	0	109.2	Y292 P308 F324	Y292-K306 HydrophobicContact CD1-CB 3.83Å; Y292-K306 HydrophobicContact CD1-CG 4.04Å; Y292-K306 HydrophobicContact CE1-CB 3.77Å; Y292-K306 HydrophobicContact CE1-CD 4.05Å; Y292-K306 HydrophobicContact CE1-CG 3.72Å; K306-P308 WeakPolarHBondContact O-CD 3.46Å; K306-F324 HydrophobicContact CB-CB 4.16Å; K306-F324 HydrophobicContact CB-CG 4.38Å
307	I	92.4	Very high	82.3	Confident	16 Å²	16	51.7 Å²	51.7	8%	0.082	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-73.9	125.7	174.3	-53	-177.3	0	0	0	108.2	L257 F267 F269 F285 D290 Q291 I293	L257-I307 HydrophobicContact CD2-CD1 4.18Å; L257-I307 HydrophobicContact CD2-CG2 3.99Å; F267-I307 HydrophobicContact CD2-CG2 4.27Å; F267-I307 HydrophobicContact CE2-CG2 4.35Å; F269-I307 HydrophobicContact CZ-CG1 4.2Å; F285-I307 HydrophobicContact CD1-CD1 4.12Å; F285-I307 HydrophobicContact CE1-CD1 3.89Å; D290-I307 WeakPolarHBondContact O-CD1 3.43Å; Q291-I307 PolarHBondContact O-N 3.45Å; I293-I307 HydrophobicContact CG2-CD1 3.86Å; I293-I307 HydrophobicContact CG2-CG1 4.02Å
308	P	89.9	Confident	81.9	Confident	34 Å²	34	55.2 Å²	55.2	22%	0.221	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-64.4	141.9	176.3	-21.7	33.8	0	0	0	112.1	F267 K306 D310 A313 V320	F267-P308 HydrophobicContact CD1-CG 4.14Å; F267-P308 HydrophobicContact CE1-CB 4.13Å; F267-P308 HydrophobicContact CE1-CG 3.84Å; F267-P308 HydrophobicContact CE2-CB 4.47Å; F267-P308 HydrophobicContact CE2-CG 4.43Å; F267-P308 HydrophobicContact CZ-CB 3.91Å; F267-P308 HydrophobicContact CZ-CG 4Å; K306-P308 WeakPolarHBondContact O-CD 3.46Å; P308-D310 VanDerWaalsContact C-N 3.33Å; P308-A313 HydrophobicContact CB-CB 3.51Å; P308-A313 HydrophobicContact CG-CB 3.97Å; P308-V320 HydrophobicContact CG-CG2 3.7Å
309	N	84.4	Confident	81.8	Confident	156 Å²	156	55.8 Å²	55.8	83%	0.834	33%	0.334	S	S	*	.	S	Bend	trans	-75.9	-24.4	173.4	-67.7	-19.7	0	0	0	112.4
310	D	82.3	Confident	82	Confident	94 Å²	94	54.6 Å²	54.6	50%	0.503	33%	0.328	S	S	.	.	S	Bend	trans	-90.6	118	179.1	178.9	3.3	0	0	0	109.8	F267 P308 E312 A313	F267-D310 WeakPolarHBondContact CZ-O 3.08Å; P308-D310 VanDerWaalsContact C-N 3.33Å; D310-E312 PolarHBondContact O-N 2.85Å; D310-E312 VanDerWaalsContact O-N 3.14Å; D310-E312 PolarHBondContact OD1-N 3.4Å; D310-A313 HydrophobicContact CB-CB 4.24Å; D310-A313 VanDerWaalsContact O-CB 3.26Å; D310-A313 WeakPolarHBondContact O-CB 3.41Å; D310-A313 PolarHBondContact O-N 3.37Å; D310-A313 VanDerWaalsContact O-N 3.08Å
311	P	75.6	Confident	81.8	Confident	78 Å²	78	58 Å²	58	51%	0.506	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-19.8	179.7	-22.7	33.3	0	0	0	115.2	R318	P311-R318 PolarHBondContact O-NE 3.48Å; P311-R318 PolarHBondContact O-NH1 2.97Å
312	E	74.1	Confident	81.7	Confident	127 Å²	127	58.3 Å²	58.3	59%	0.593	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	6.3	178.5	-60.9	-59.4	159.2	0	0	113.5	D310 R318	D310-E312 PolarHBondContact O-N 2.85Å; D310-E312 VanDerWaalsContact O-N 3.14Å; D310-E312 PolarHBondContact OD1-N 3.4Å; E312-R318 IonicContact OE1-CZ 3.31Å; E312-R318 IonicContact OE1-NH2 3.76Å; E312-R318 PolarHBondContact OE1-NH2 2.86Å; E312-R318 IonicContact OE2-CZ 2.99Å; E312-R318 IonicContact OE2-NE 3.45Å; E312-R318 IonicContact OE2-NH2 2.72Å; E312-R318 PolarHBondContact OE2-NH2 2.96Å
313	A	71.3	Confident	81.7	Confident	27 Å²	27	59 Å²	59	22%	0.223	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	147.8	177.9	0	0	0	0	0	112.7	F267 P308 D310	F267-A313 HydrophobicContact CE1-CB 4.2Å; F267-A313 WeakPolarHBondContact CE1-O 3.07Å; P308-A313 HydrophobicContact CB-CB 3.51Å; P308-A313 HydrophobicContact CG-CB 3.97Å; D310-A313 HydrophobicContact CB-CB 4.24Å; D310-A313 VanDerWaalsContact O-CB 3.26Å; D310-A313 WeakPolarHBondContact O-CB 3.41Å; D310-A313 PolarHBondContact O-N 3.37Å; D310-A313 VanDerWaalsContact O-N 3.08Å
314	G	62.2	Low	81.5	Confident	39 Å²	39	62.2 Å²	62.2	40%	0.402	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.5	9.9	174.1	0	0	0	0	0	116.4	V319	G314-V319 WeakPolarHBondContact CA-O 3.3Å; G314-V319 PolarHBondContact O-N 3.24Å
315	G	68.2	Low	81.3	Confident	45 Å²	45	63 Å²	63	46%	0.464	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.9	-163.6	172	0	0	0	0	0	114.6	G317 R318	G315-G317 PolarHBondContact O-N 3.29Å; G315-G317 VanDerWaalsContact O-N 3.13Å; G315-R318 PolarHBondContact O-N 2.8Å
316	P	59.4	Low	81.1	Confident	141 Å²	141	65.2 Å²	65.2	92%	0.916	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	117.9	179.6	-18.5	29.7	0	0	0	110.8
317	G	68.4	Low	80.8	Confident	61 Å²	61	61.7 Å²	61.7	63%	0.629	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.8	2.7	-177	0	0	0	0	0	115.6	G315 V319	G315-G317 PolarHBondContact O-N 3.29Å; G315-G317 VanDerWaalsContact O-N 3.13Å; G317-V319 PolarHBondContact O-N 2.77Å
318	R	81.9	Confident	80.3	Confident	74 Å²	74	68.8 Å²	68.8	28%	0.279	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	49.4	173	-58.6	-173.8	179	-172.5	-3.7	113.2	S266 F267 Q268 P311 E312 G315	S266-R318 VanDerWaalsContact O-CB 3.24Å; S266-R318 WeakPolarHBondContact O-CB 3.39Å; S266-R318 WeakPolarHBondContact O-CD 3.47Å; F267-R318 VanDerWaalsContact CA-O 3.29Å; F267-R318 WeakPolarHBondContact CA-O 3.42Å; F267-R318 HydrophobicContact CD1-CB 4.02Å; F267-R318 HydrophobicContact CE1-CB 4.43Å; Q268-R318 PolarHBondContact N-O 3.27Å; P311-R318 PolarHBondContact O-NE 3.48Å; P311-R318 PolarHBondContact O-NH1 2.97Å; E312-R318 IonicContact OE1-CZ 3.31Å; E312-R318 IonicContact OE1-NH2 3.76Å; E312-R318 PolarHBondContact OE1-NH2 2.86Å; E312-R318 IonicContact OE2-CZ 2.99Å; E312-R318 IonicContact OE2-NE 3.45Å; E312-R318 IonicContact OE2-NH2 2.72Å; E312-R318 PolarHBondContact OE2-NH2 2.96Å; G315-R318 PolarHBondContact O-N 2.8Å
319	V	85.6	Confident	79.4	Confident	34 Å²	34	69.1 Å²	69.1	21%	0.206	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	124	-178.6	-174.6	0	0	0	0	110.3	Q268 D270 G314 G317 N321	Q268-V319 HydrophobicContact CB-CG2 4.39Å; Q268-V319 CarbonylContact O-C 3.5Å; Q268-V319 VanDerWaalsContact O-CA 3.3Å; Q268-V319 WeakPolarHBondContact O-CA 3.45Å; D270-V319 HydrophobicContact CB-CG1 4.13Å; G314-V319 WeakPolarHBondContact CA-O 3.3Å; G314-V319 PolarHBondContact O-N 3.24Å; G317-V319 PolarHBondContact O-N 2.77Å; V319-N321 PolarHBondContact O-N 3.03Å
320	V	88.9	Confident	79	Confident	24 Å²	24	63.1 Å²	63.1	15%	0.145	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	101.4	171.7	-176.9	0	0	0	0	108	F267 Q268 F269 D270 P308	F267-V320 HydrophobicContact CB-CG2 4.39Å; F267-V320 HydrophobicContact CD1-CG2 4.16Å; F267-V320 HydrophobicContact CG-CG2 4.46Å; Q268-V320 PolarHBondContact O-N 3.08Å; F269-V320 HydrophobicContact CD1-CB 3.74Å; F269-V320 HydrophobicContact CD1-CG1 4.16Å; F269-V320 HydrophobicContact CD1-CG2 3.92Å; F269-V320 HydrophobicContact CE1-CB 4.22Å; F269-V320 HydrophobicContact CE1-CG2 3.89Å; D270-V320 PolarHBondContact N-O 3.4Å; P308-V320 HydrophobicContact CG-CG2 3.7Å
321	N	84	Confident	78.6	Confident	125 Å²	125	64.8 Å²	64.8	67%	0.668	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.3	124.6	178.4	-68.2	-65.9	0	0	0	110.7	V319	V319-N321 PolarHBondContact O-N 3.03Å
322	G	86.4	Confident	78.8	Confident	33 Å²	33	61.7 Å²	61.7	34%	0.34	37%	0.369	S	S	.	.	S	Bend	trans	93.4	130.6	178.2	0	0	0	0	0	112.7	D270 N271	D270-G322 PolarHBondContact O-N 3.15Å; N271-G322 VanDerWaalsContact OD1-CA 3.29Å; N271-G322 WeakPolarHBondContact OD1-CA 2.98Å
323	A	89.8	Confident	79.3	Confident	22 Å²	22	57.6 Å²	57.6	18%	0.182	35%	0.35	C	S	.	.			trans	-73.7	138.7	172.5	0	0	0	0	0	110.4	N271 Y303 M304 W305 M325 V326	N271-A323 HydrophobicContact CB-CB 4.26Å; N271-A323 PolarHBondContact OD1-N 2.86Å; Y303-A323 HydrophobicContact CD1-CB 3.81Å; M304-A323 CarbonylContact O-C 3.55Å; M304-A323 WeakPolarHBondContact O-CB 3.45Å; W305-A323 HydrophobicContact CD2-CB 4.46Å; A323-M325 PolarHBondContact O-N 2.96Å; A323-V326 HydrophobicContact CB-CG2 3.91Å
324	F	88.7	Confident	80.1	Confident	74 Å²	74	56.3 Å²	56.3	33%	0.325	34%	0.34	S	S	.	.	S	Bend	trans	-59.2	-37.7	171.3	170	-103.4	0	0	0	111.2	Y292 M304 K306	Y292-F324 AromaticContact CD1-CD1 3.97Å; Y292-F324 HydrophobicContact CD1-CD1 3.97Å; Y292-F324 HydrophobicContact CD1-CE1 4.45Å; Y292-F324 HydrophobicContact CD1-CG 4.4Å; Y292-F324 AromaticContact CE1-CD1 3.52Å; Y292-F324 HydrophobicContact CE1-CD1 3.52Å; Y292-F324 HydrophobicContact CE1-CD2 4.38Å; Y292-F324 AromaticContact CE1-CE1 3.67Å; Y292-F324 HydrophobicContact CE1-CE1 3.67Å; Y292-F324 HydrophobicContact CE1-CE2 4.5Å; Y292-F324 AromaticContact CE1-CG 3.92Å; Y292-F324 HydrophobicContact CE1-CG 3.92Å; Y292-F324 HydrophobicContact CE1-CZ 4.19Å; M304-F324 HydrophobicContact CG-CD1 4.46Å; M304-F324 WeakPolarHBondContact O-CA 3.12Å; M304-F324 WeakPolarHBondContact O-CB 3.08Å; M304-F324 PolarHBondContact O-N 2.78Å; M304-F324 HydrophobicContact SD-CD1 4.12Å; K306-F324 HydrophobicContact CB-CB 4.16Å; K306-F324 HydrophobicContact CB-CG 4.38Å
325	M	88.3	Confident	81.2	Confident	17 Å²	17	55 Å²	55	8%	0.084	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	137	175.3	-169.8	178.6	-56.4	0	0	110.5	C39 M304 A323 L327	C39-M325 HydrophobicContact CB-CE 4.12Å; C39-M325 WeakPolarHBondContact O-CE 3.12Å; M304-M325 HydrophobicContact CB-CB 4.19Å; M304-M325 PolarHBondContact N-O 3.43Å; M304-M325 PolarHBondContact O-N 3.09Å; M304-M325 VanDerWaalsContact O-N 3.07Å; A323-M325 PolarHBondContact O-N 2.96Å; M325-L327 HydrophobicContact CG-CD2 4Å; M325-L327 HydrophobicContact CG-CG 4.41Å; M325-L327 HydrophobicContact SD-CD2 3.52Å; M325-L327 VanDerWaalsContact SD-CD2 3.52Å; M325-L327 HydrophobicContact SD-CG 4.32Å
326	V	89.8	Confident	82.3	Confident	48 Å²	48	53.6 Å²	53.6	29%	0.291	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	110.4	170.9	-174.5	0	0	0	0	108.3	N301 L302 Y303 A323 K328	N301-V326 HydrophobicContact CB-CG1 3.82Å; L302-V326 CarbonylContact O-C 3.55Å; L302-V326 WeakPolarHBondContact O-CA 3.36Å; Y303-V326 HydrophobicContact CD1-CB 4.48Å; Y303-V326 HydrophobicContact CD1-CG1 4.19Å; Y303-V326 HydrophobicContact CD1-CG2 3.69Å; Y303-V326 HydrophobicContact CE1-CB 4.38Å; Y303-V326 HydrophobicContact CE1-CG1 3.81Å; Y303-V326 HydrophobicContact CE1-CG2 3.63Å; A323-V326 HydrophobicContact CB-CG2 3.91Å; V326-K328 HydrophobicContact CG1-CG 4.28Å; V326-K328 PolarHBondContact O-N 2.98Å
327	L	86	Confident	83.9	Confident	27 Å²	27	46.9 Å²	46.9	14%	0.141	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	111.1	178.9	-60.2	171.7	0	0	0	109	L42 L302 M325 I346	L42-L327 HydrophobicContact CB-CD2 4.29Å; L42-L327 HydrophobicContact CD1-CD1 3.77Å; L42-L327 HydrophobicContact CD1-CD2 3.5Å; L42-L327 HydrophobicContact CD1-CG 4.29Å; L42-L327 HydrophobicContact CG-CD2 3.83Å; L302-L327 HydrophobicContact CB-CB 4.15Å; L302-L327 HydrophobicContact CB-CD1 4.48Å; L302-L327 PolarHBondContact N-O 3.45Å; L302-L327 PolarHBondContact O-N 3.35Å; M325-L327 HydrophobicContact CG-CD2 4Å; M325-L327 HydrophobicContact CG-CG 4.41Å; M325-L327 HydrophobicContact SD-CD2 3.52Å; M325-L327 VanDerWaalsContact SD-CD2 3.52Å; M325-L327 HydrophobicContact SD-CG 4.32Å; L327-I346 HydrophobicContact CD1-CD1 3.67Å
328	K	81.9	Confident	85	Confident	165 Å²	165	45 Å²	45	72%	0.717	24%	0.235	S	C	*	.			trans	-97.5	155.9	-178.3	-56.4	-169.3	174	-176.8	0	111.8	N301 V326	N301-K328 WeakPolarHBondContact OD1-CA 3.43Å; N301-K328 WeakPolarHBondContact OD1-CG 3.26Å; V326-K328 HydrophobicContact CG1-CG 4.28Å; V326-K328 PolarHBondContact O-N 2.98Å
329	G	70.6	Confident	85.5	Confident	40 Å²	40	42.5 Å²	42.5	41%	0.412	23%	0.226	S	C	.	.			trans	107.1	8.9	172.6	0	0	0	0	0	114.8	K44	K44-G329 WeakPolarHBondContact CE-O 3.42Å; K44-G329 PolarHBondContact NZ-O 2.82Å
330	H	76.3	Confident	85.6	Confident	31 Å²	31	41.1 Å²	41.1	14%	0.144	22%	0.218	C	C	.	.			trans	-65.4	146	159.8	-146.6	-98.3	0	0	0	108.9	F300 L302 S332 V334 S348 S349	F300-H330 HydrophobicContact CB-CB 4.45Å; F300-H330 WeakPolarHBondContact CB-O 3.39Å; F300-H330 WeakPolarHBondContact O-CB 3.19Å; L302-H330 HydrophobicContact CD1-CB 4.4Å; H330-S332 PolarHBondContact ND1-O 3.46Å; H330-V334 HydrophobicContact CB-CG2 3.9Å; H330-S348 PolarHBondContact CD2-OG 3.1Å; H330-S348 PolarHBondContact NE2-OG 3.48Å; H330-S349 PolarHBondContact CE1-O 3.44Å
331	R	73.7	Confident	85.1	Confident	129 Å²	129	43 Å²	43	49%	0.487	23%	0.231	S	C	.	.	S	Bend	trans	-98.1	1.5	-172.5	-63.7	-179.7	177.5	179.2	-3.3	113.6	E352	R331-E352 WeakPolarHBondContact CD-OE1 3.09Å; R331-E352 IonicContact CZ-OE1 3.67Å; R331-E352 IonicContact NE-OE1 3.62Å; R331-E352 IonicContact NH1-OE1 3.42Å; R331-E352 PolarHBondContact NH1-OE1 3.14Å; R331-E352 IonicContact NH1-OE2 3.22Å
332	S	79.1	Confident	84.7	Confident	13 Å²	13	42.8 Å²	42.8	9%	0.091	23%	0.225	C	C	.	.	S	Bend	trans	-158.8	177.2	-177.7	76.8	0	0	0	0	110.8	F300 H330 V334 G350 V351	F300-S332 WeakPolarHBondContact CA-O 3.33Å; F300-S332 WeakPolarHBondContact CB-O 3.07Å; F300-S332 WeakPolarHBondContact CD1-O 3.49Å; H330-S332 PolarHBondContact ND1-O 3.46Å; S332-V334 PolarHBondContact O-N 2.79Å; S332-G350 WeakPolarHBondContact OG-CA 3.49Å; S332-V351 WeakPolarHBondContact CB-O 3.48Å; S332-V351 PolarHBondContact OG-N 3.49Å
333	I	84.8	Confident	84.2	Confident	41 Å²	41	43.3 Å²	43.3	21%	0.21	22%	0.224	C	C	.	.			trans	-51.1	132.9	169.9	-57.9	177.5	0	0	0	109.1	C278 T279 D298 F300	C278-I333 HydrophobicContact CB-CD1 3.81Å; T279-I333 HydrophobicContact CG2-CG2 4.49Å; T279-I333 WeakPolarHBondContact OG1-CG2 2.93Å; D298-I333 WeakPolarHBondContact OD1-CG2 3.37Å; F300-I333 HydrophobicContact CD1-CG1 4.17Å; F300-I333 HydrophobicContact CE1-CG1 3.78Å
334	V	87.8	Confident	83.8	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.222	C	C	.	.			trans	-90.1	106.6	178.1	-176	0	0	0	0	108.4	S297 L302 H330 S332 S349	S297-V334 PolarHBondContact O-N 3.22Å; L302-V334 HydrophobicContact CD1-CG1 4.44Å; L302-V334 HydrophobicContact CD1-CG2 3.88Å; L302-V334 HydrophobicContact CD2-CG1 4.17Å; L302-V334 HydrophobicContact CG-CG1 4.06Å; L302-V334 HydrophobicContact CG-CG2 4.12Å; H330-V334 HydrophobicContact CB-CG2 3.9Å; S332-V334 PolarHBondContact O-N 2.79Å; V334-S349 WeakPolarHBondContact CA-O 3.5Å
335	N	86.8	Confident	83.5	Confident	12 Å²	12	43 Å²	43	6%	0.064	22%	0.219	C	C	.	.			trans	-80.4	-48.7	-178.8	-71.1	-21.1	0	0	0	111.1	N55 T279 K281 S282 S349	N55-N335 PolarHBondContact OD1-ND2 3.2Å; T279-N335 WeakPolarHBondContact CB-OD1 3.29Å; T279-N335 PolarHBondContact OG1-OD1 3.31Å; K281-N335 VanDerWaalsContact CA-O 3.24Å; K281-N335 WeakPolarHBondContact CA-O 3.48Å; S282-N335 PolarHBondContact N-O 3.44Å; S282-N335 VanDerWaalsContact N-O 3.11Å; N335-S349 PolarHBondContact N-O 2.65Å; N335-S349 VanDerWaalsContact N-O 3.07Å
336	Q	90.5	Very high	83.6	Confident	15 Å²	15	44.2 Å²	44.2	7%	0.07	23%	0.226	C	C	.	.			trans	-130.2	145.5	-178.2	-170	155.3	-28.8	0	0	111.6	N55 I57 S282 S348 S349	N55-Q336 PolarHBondContact O-OE1 3.14Å; I57-Q336 HydrophobicContact CD1-CB 4.42Å; I57-Q336 HydrophobicContact CD1-CG 4.35Å; I57-Q336 HydrophobicContact CG1-CB 3.88Å; I57-Q336 HydrophobicContact CG1-CG 3.58Å; I57-Q336 PolarHBondContact O-NE2 3.19Å; S282-Q336 WeakPolarHBondContact OG-CA 3.31Å; S282-Q336 WeakPolarHBondContact OG-CG 3.23Å; Q336-S348 VanDerWaalsContact O-CA 3.31Å; Q336-S348 WeakPolarHBondContact O-CA 3.45Å; Q336-S349 PolarHBondContact N-OG 3.28Å; Q336-S349 PolarHBondContact O-N 3.06Å; Q336-S349 VanDerWaalsContact O-N 3.13Å
337	V	92.5	Very high	83.6	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	139	173.5	63.6	0	0	0	0	109.6	S282 L294 L302 I346 C347	S282-V337 PolarHBondContact OG-N 3.46Å; S282-V337 PolarHBondContact OG-O 3.47Å; L294-V337 HydrophobicContact CB-CG1 4.15Å; L294-V337 HydrophobicContact CB-CG2 4.13Å; L294-V337 HydrophobicContact CD1-CG2 4.21Å; L302-V337 HydrophobicContact CD2-CB 4.07Å; L302-V337 HydrophobicContact CD2-CG2 3.57Å; V337-I346 HydrophobicContact CG2-CG2 3.93Å; V337-C347 WeakPolarHBondContact CA-O 3.42Å
338	R	92.7	Very high	83.8	Confident	20 Å²	20	43.7 Å²	43.7	8%	0.075	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	144.7	173.8	-70.2	-63.1	-175.7	-94.5	2.8	111.3	I57 E58 F59 S282 I346 C347	I57-R338 HydrophobicContact CD1-CB 4.45Å; I57-R338 HydrophobicContact CD1-CG 4.35Å; I57-R338 HydrophobicContact CG1-CG 4.11Å; I57-R338 WeakPolarHBondContact O-CG 3.33Å; E58-R338 VanDerWaalsContact CD-NE 3.31Å; E58-R338 IonicContact OE1-NE 2.69Å; E58-R338 PolarHBondContact OE1-NE 3.3Å; E58-R338 IonicContact OE2-CZ 3.57Å; E58-R338 IonicContact OE2-NE 3.56Å; E58-R338 PolarHBondContact OE2-NE 3.39Å; E58-R338 IonicContact OE2-NH2 3.89Å; E58-R338 PolarHBondContact OE2-NH2 3.41Å; F59-R338 HydrophobicContact CD2-CB 3.85Å; F59-R338 HydrophobicContact CE2-CB 3.95Å; S282-R338 PolarHBondContact OG-NH1 3.35Å; R338-I346 WeakPolarHBondContact O-CA 3.08Å; R338-C347 PolarHBondContact N-O 3.35Å; R338-C347 PolarHBondContact O-N 3.42Å
339	F	91.1	Very high	84.1	Confident	23 Å²	23	36.1 Å²	36.1	10%	0.101	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	132.7	174.6	178.1	-102.9	0	0	0	109.8	A286 L294 P341 Y344 M345 I346	A286-F339 HydrophobicContact CB-CB 4Å; A286-F339 HydrophobicContact CB-CD1 3.92Å; A286-F339 HydrophobicContact CB-CD2 3.94Å; A286-F339 HydrophobicContact CB-CE1 4.37Å; A286-F339 HydrophobicContact CB-CE2 4.41Å; A286-F339 HydrophobicContact CB-CG 3.67Å; L294-F339 HydrophobicContact CD1-CB 4.15Å; F339-P341 HydrophobicContact CD1-CB 4.49Å; F339-P341 VanDerWaalsContact CE1-CA 3.49Å; F339-P341 HydrophobicContact CE1-CB 4.05Å; F339-Y344 HydrophobicContact CE2-CD1 4.35Å; F339-Y344 AromaticContact CZ-CD1 3.77Å; F339-Y344 HydrophobicContact CZ-CD1 3.77Å; F339-Y344 HydrophobicContact CZ-CE1 4.39Å; F339-Y344 HydrophobicContact CZ-CG 4.18Å; F339-M345 WeakPolarHBondContact CA-O 3.31Å; F339-I346 HydrophobicContact CD2-CG1 3.94Å
340	N	87.9	Confident	84.3	Confident	5 Å²	5	35 Å²	35	3%	0.027	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	115.2	171.1	179.4	-15.4	0	0	0	109.2	F59 G63 G64 H342 S343 Y344 M345	F59-N340 HydrophobicContact CD1-CB 4.29Å; F59-N340 HydrophobicContact CD2-CB 3.92Å; F59-N340 HydrophobicContact CE1-CB 4.28Å; F59-N340 HydrophobicContact CE2-CB 3.9Å; F59-N340 HydrophobicContact CG-CB 4.12Å; F59-N340 HydrophobicContact CZ-CB 4.08Å; G63-N340 PolarHBondContact O-ND2 2.99Å; G64-N340 WeakPolarHBondContact CA-ND2 3.38Å; N340-H342 VanDerWaalsContact C-N 3.3Å; N340-H342 PolarHBondContact O-N 3.12Å; N340-H342 PolarHBondContact OD1-N 3Å; N340-S343 WeakPolarHBondContact CB-OG 3.33Å; N340-S343 PolarHBondContact ND2-OG 2.93Å; N340-S343 PolarHBondContact OD1-N 3.48Å; N340-Y344 WeakPolarHBondContact O-CA 3.09Å; N340-Y344 PolarHBondContact O-N 3.45Å; N340-M345 HydrophobicContact CB-CB 4.42Å; N340-M345 PolarHBondContact N-O 2.88Å; N340-M345 PolarHBondContact O-N 3.19Å
341	P	78.9	Confident	83.8	Confident	64 Å²	64	35.6 Å²	35.6	42%	0.416	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-20.1	-177.2	28	-34.2	0	0	0	114.6	F339	F339-P341 HydrophobicContact CD1-CB 4.49Å; F339-P341 VanDerWaalsContact CE1-CA 3.49Å; F339-P341 HydrophobicContact CE1-CB 4.05Å
342	H	76	Confident	83	Confident	119 Å²	119	34.1 Å²	34.1	55%	0.551	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-43.1	-179	-61	85.7	0	0	0	111.7	N340	N340-H342 VanDerWaalsContact C-N 3.3Å; N340-H342 PolarHBondContact O-N 3.12Å; N340-H342 PolarHBondContact OD1-N 3Å
343	S	75.6	Confident	81.7	Confident	45 Å²	45	35.6 Å²	35.6	32%	0.315	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-6.7	-177.9	61.6	0	0	0	0	113.7	N340 M345	N340-S343 WeakPolarHBondContact CB-OG 3.33Å; N340-S343 PolarHBondContact ND2-OG 2.93Å; N340-S343 PolarHBondContact OD1-N 3.48Å; S343-M345 PolarHBondContact O-N 2.92Å; S343-M345 WeakPolarHBondContact OG-CB 3Å; S343-M345 WeakPolarHBondContact OG-CG 3.48Å
344	Y	80.3	Confident	80.1	Confident	35 Å²	35	36 Å²	36	14%	0.137	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	26.7	-172.1	-69.5	-104.2	0	0	0	113.1	Q32 L36 D288 F339 N340	Q32-Y344 HydrophobicContact CB-CD1 4.49Å; Q32-Y344 HydrophobicContact CB-CD2 4.09Å; Q32-Y344 HydrophobicContact CB-CE1 3.97Å; Q32-Y344 HydrophobicContact CB-CE2 3.5Å; Q32-Y344 VanDerWaalsContact CB-CE2 3.5Å; Q32-Y344 VanDerWaalsContact CB-CZ 3.41Å; Q32-Y344 HydrophobicContact CG-CD2 4.14Å; Q32-Y344 HydrophobicContact CG-CE2 3.72Å; L36-Y344 HydrophobicContact CD2-CD1 4.3Å; D288-Y344 WeakPolarHBondContact CB-OH 3.42Å; F339-Y344 HydrophobicContact CE2-CD1 4.35Å; F339-Y344 AromaticContact CZ-CD1 3.77Å; F339-Y344 HydrophobicContact CZ-CD1 3.77Å; F339-Y344 HydrophobicContact CZ-CE1 4.39Å; F339-Y344 HydrophobicContact CZ-CG 4.18Å; N340-Y344 WeakPolarHBondContact O-CA 3.09Å; N340-Y344 PolarHBondContact O-N 3.45Å
345	M	83.9	Confident	78.7	Confident	55 Å²	55	38 Å²	38	27%	0.271	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	142.9	178.9	-72.8	179.2	55.6	0	0	111.8	F59 I81 I85 F339 N340 S343	F59-M345 HydrophobicContact CZ-CB 4.37Å; I81-M345 HydrophobicContact CD1-CE 4.39Å; I81-M345 HydrophobicContact CG2-CE 3.76Å; I81-M345 HydrophobicContact CG2-SD 3.84Å; I85-M345 HydrophobicContact CD1-CE 3.57Å; I85-M345 HydrophobicContact CD1-SD 3.95Å; F339-M345 WeakPolarHBondContact CA-O 3.31Å; N340-M345 HydrophobicContact CB-CB 4.42Å; N340-M345 PolarHBondContact N-O 2.88Å; N340-M345 PolarHBondContact O-N 3.19Å; S343-M345 PolarHBondContact O-N 2.92Å; S343-M345 WeakPolarHBondContact OG-CB 3Å; S343-M345 WeakPolarHBondContact OG-CG 3.48Å
346	I	89.1	Confident	77.5	Confident	42 Å²	42	43.2 Å²	43.2	22%	0.215	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	126.6	171.1	-60.6	169.8	0	0	0	107.6	L42 L294 L302 M304 L327 V337 R338 F339	L42-I346 HydrophobicContact CD1-CD1 3.86Å; L294-I346 HydrophobicContact CD1-CD1 4.05Å; L294-I346 HydrophobicContact CD1-CG1 4.04Å; L294-I346 HydrophobicContact CD1-CG2 4.28Å; L294-I346 HydrophobicContact CD2-CD1 4.46Å; L302-I346 HydrophobicContact CD2-CG2 4.24Å; M304-I346 HydrophobicContact CE-CD1 3.81Å; L327-I346 HydrophobicContact CD1-CD1 3.67Å; V337-I346 HydrophobicContact CG2-CG2 3.93Å; R338-I346 WeakPolarHBondContact O-CA 3.08Å; F339-I346 HydrophobicContact CD2-CG1 3.94Å
347	C	90.3	Very high	76.3	Confident	23 Å²	23	42.9 Å²	42.9	16%	0.155	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	142.3	173.2	-171.5	0	0	0	0	110	I57 F59 L67 V337 R338	I57-C347 HydrophobicContact CD1-CB 4.03Å; I57-C347 WeakPolarHBondContact CD1-O 3.35Å; F59-C347 HydrophobicContact CE2-CB 3.85Å; F59-C347 HydrophobicContact CZ-CB 3.71Å; L67-C347 HydrophobicContact CD1-CB 4.4Å; V337-C347 WeakPolarHBondContact CA-O 3.42Å; R338-C347 PolarHBondContact N-O 3.35Å; R338-C347 PolarHBondContact O-N 3.42Å
348	S	90.8	Very high	75.6	Confident	41 Å²	41	43.1 Å²	43.1	29%	0.287	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	151.8	-177.7	65.7	0	0	0	0	111.3	H330 Q336	H330-S348 PolarHBondContact CD2-OG 3.1Å; H330-S348 PolarHBondContact NE2-OG 3.48Å; Q336-S348 VanDerWaalsContact O-CA 3.31Å; Q336-S348 WeakPolarHBondContact O-CA 3.45Å
349	S	88.6	Confident	74.9	Confident	5 Å²	5	43 Å²	43	4%	0.035	23%	0.23	C	C	.	.			trans	-128.9	148.5	-175.1	77.1	0	0	0	0	113.7	V54 H330 V334 N335 Q336	V54-S349 WeakPolarHBondContact O-CB 3.3Å; V54-S349 PolarHBondContact O-OG 3.37Å; H330-S349 PolarHBondContact CE1-O 3.44Å; V334-S349 WeakPolarHBondContact CA-O 3.5Å; N335-S349 PolarHBondContact N-O 2.65Å; N335-S349 VanDerWaalsContact N-O 3.07Å; Q336-S349 PolarHBondContact N-OG 3.28Å; Q336-S349 PolarHBondContact O-N 3.06Å; Q336-S349 VanDerWaalsContact O-N 3.13Å
350	G	73.6	Confident	74.2	Confident	17 Å²	17	43.2 Å²	43.2	18%	0.175	24%	0.235	C	C	.	.			trans	-169.9	-160.9	-173.7	0	0	0	0	0	116.1	V54 S332	V54-G350 PolarHBondContact N-O 2.74Å; S332-G350 WeakPolarHBondContact OG-CA 3.49Å
351	V	65.3	Low	73.9	Confident	44 Å²	44	43.1 Å²	43.1	27%	0.267	24%	0.235	S	C	.	.			trans	-128.8	140.3	-168.5	-163.6	0	0	0	0	113	C53 S332 K353	C53-V351 HydrophobicContact CB-CB 4.43Å; C53-V351 HydrophobicContact CB-CG1 4.41Å; C53-V351 HydrophobicContact CB-CG2 3.55Å; C53-V351 WeakPolarHBondContact SG-CG1 3.45Å; C53-V351 WeakPolarHBondContact SG-CG2 3.45Å; S332-V351 WeakPolarHBondContact CB-O 3.48Å; S332-V351 PolarHBondContact OG-N 3.49Å; V351-K353 HydrophobicContact CG1-CB 4.39Å; V351-K353 HydrophobicContact CG1-CG 4.46Å
352	E	58.3	Low	74.2	Confident	98 Å²	98	40.1 Å²	40.1	46%	0.458	22%	0.215	S	C	.	.			trans	-134.7	89.6	161	-79.5	-171.3	170.1	0	0	111.3	R331	R331-E352 WeakPolarHBondContact CD-OE1 3.09Å; R331-E352 IonicContact CZ-OE1 3.67Å; R331-E352 IonicContact NE-OE1 3.62Å; R331-E352 IonicContact NH1-OE1 3.42Å; R331-E352 PolarHBondContact NH1-OE1 3.14Å; R331-E352 IonicContact NH1-OE2 3.22Å
353	K	50.3	Low	74.5	Confident	44 Å²	44	36.4 Å²	36.4	19%	0.191	20%	0.199	C	C	.	.			trans	-118.7	-20.1	178	-86.5	-179.1	172.2	163.1	0	116.6	F51 V351 T551	F51-K353 WeakPolarHBondContact O-CE 3.27Å; F51-K353 PolarHBondContact O-NZ 3.42Å; V351-K353 HydrophobicContact CG1-CB 4.39Å; V351-K353 HydrophobicContact CG1-CG 4.46Å; K353-T551 PolarHBondContact NZ-OG1 2.95Å
354	V	51.9	Low	74.8	Confident	48 Å²	48	34.9 Å²	34.9	29%	0.291	19%	0.189	S	C	.	.	S	Bend	trans	-93.8	-23.4	-171.6	179.9	0	0	0	0	113.5	F358 L445	V354-F358 HydrophobicContact CG1-CD2 3.98Å; V354-F358 HydrophobicContact CG1-CE2 3.7Å; V354-F358 HydrophobicContact CG1-CG 4.5Å; V354-F358 HydrophobicContact CG1-CZ 3.99Å; V354-L445 HydrophobicContact CG1-CD1 4.27Å; V354-L445 HydrophobicContact CG1-CD2 4.4Å
355	I	57.8	Low	74.8	Confident	44 Å²	44	35.2 Å²	35.2	23%	0.226	19%	0.191	C	C	.	.	H	α-helix	trans	-70.4	-36.9	-172.4	-65.5	170.2	0	0	0	112.1	T359 I376 L445	I355-T359 WeakPolarHBondContact O-CB 3.39Å; I355-T359 PolarHBondContact O-N 2.92Å; I355-T359 PolarHBondContact O-OG1 2.74Å; I355-I376 HydrophobicContact CG2-CG2 3.97Å; I355-L445 HydrophobicContact CG1-CD1 3.92Å; I355-L445 HydrophobicContact CG1-CD2 4.35Å
356	K	62.4	Low	74.8	Confident	121 Å²	121	32.6 Å²	32.6	53%	0.526	18%	0.178	S	C	.	.	H	α-helix	trans	-66.2	-48.6	-176.6	-69.7	-177.6	175.2	-178.5	0	113	T359 A360 D544 D547	K356-T359 PolarHBondContact O-N 2.78Å; K356-A360 PolarHBondContact O-N 2.91Å; K356-A360 VanDerWaalsContact O-N 3.1Å; K356-D544 IonicContact NZ-OD2 3.95Å; K356-D544 PolarHBondContact NZ-OD2 2.91Å; K356-D547 IonicContact NZ-OD2 3.07Å
357	T	64.7	Low	74.4	Confident	8 Å²	8	35.7 Å²	35.7	5%	0.049	19%	0.187	C	C	.	.	H	α-helix	trans	-67.9	-42.1	-175.2	-48	0	0	0	0	112.5	A360 W361 M542 L543 A558	T357-A360 PolarHBondContact O-N 3.02Å; T357-W361 PolarHBondContact O-N 3.31Å; T357-M542 HydrophobicContact CG2-CB 4.09Å; T357-M542 WeakPolarHBondContact CG2-O 3.46Å; T357-M542 PolarHBondContact OG1-O 3.43Å; T357-L543 HydrophobicContact CG2-CD2 3.88Å; T357-A558 HydrophobicContact CG2-CB 4.05Å
358	F	78.1	Confident	73.9	Confident	4 Å²	4	41.8 Å²	41.8	2%	0.018	21%	0.211	C	C	.	.	H	α-helix	trans	-70.3	-34.1	179.3	-71.2	2.6	0	0	0	112.2	V354 W361 C362 I376 L445 I448 W449 I452	V354-F358 HydrophobicContact CG1-CD2 3.98Å; V354-F358 HydrophobicContact CG1-CE2 3.7Å; V354-F358 HydrophobicContact CG1-CG 4.5Å; V354-F358 HydrophobicContact CG1-CZ 3.99Å; F358-W361 PolarHBondContact O-N 2.95Å; F358-C362 PolarHBondContact O-N 3.06Å; F358-C362 PolarHBondContact O-SG 3.3Å; F358-I376 HydrophobicContact CB-CD1 3.93Å; F358-L445 HydrophobicContact CB-CD2 4.48Å; F358-L445 HydrophobicContact CD2-CB 4.47Å; F358-L445 HydrophobicContact CD2-CD2 3.8Å; F358-I448 HydrophobicContact CB-CG2 4.05Å; F358-I448 HydrophobicContact CD2-CB 4.31Å; F358-I448 HydrophobicContact CD2-CG2 3.97Å; F358-I448 HydrophobicContact CG-CG2 4.12Å; F358-W449 HydrophobicContact CE1-CE3 4.2Å; F358-W449 HydrophobicContact CE2-CB 3.93Å; F358-W449 HydrophobicContact CZ-CB 4.01Å; F358-W449 HydrophobicContact CZ-CD2 4.41Å; F358-W449 AromaticContact CZ-CE3 3.77Å; F358-W449 HydrophobicContact CZ-CE3 3.77Å; F358-I452 HydrophobicContact CD1-CD1 3.82Å; F358-I452 HydrophobicContact CE1-CD1 4.01Å; F358-I452 HydrophobicContact CG-CD1 4.23Å
359	T	78.4	Confident	73.2	Confident	18 Å²	18	42 Å²	42	11%	0.11	22%	0.215	C	C	.	.	H	α-helix	trans	-63.4	-45.4	173.8	-55.8	0	0	0	0	110.8	I355 K356 C362 N363 I373	I355-T359 WeakPolarHBondContact O-CB 3.39Å; I355-T359 PolarHBondContact O-N 2.92Å; I355-T359 PolarHBondContact O-OG1 2.74Å; K356-T359 PolarHBondContact O-N 2.78Å; T359-C362 PolarHBondContact O-N 3.15Å; T359-N363 WeakPolarHBondContact O-CB 3.34Å; T359-N363 PolarHBondContact O-N 3.48Å; T359-N363 PolarHBondContact O-ND2 3.04Å; T359-I373 HydrophobicContact CG2-CD1 4.1Å; T359-I373 HydrophobicContact CG2-CG1 4.02Å
360	A	75.8	Confident	72.8	Confident	27 Å²	27	45.1 Å²	45.1	22%	0.223	25%	0.249	C	C	.	.	H	α-helix	trans	-63.5	-41	177.3	0	0	0	0	0	112.6	K356 T357 N363 S364 M542	K356-A360 PolarHBondContact O-N 2.91Å; K356-A360 VanDerWaalsContact O-N 3.1Å; T357-A360 PolarHBondContact O-N 3.02Å; A360-N363 PolarHBondContact O-N 3.07Å; A360-S364 PolarHBondContact O-N 3.29Å; A360-M542 HydrophobicContact CB-CB 4.16Å; A360-M542 HydrophobicContact CB-CG 3.79Å
361	W	82.5	Confident	73.4	Confident	4 Å²	4	46.4 Å²	46.4	2%	0.015	25%	0.253	C	S	.	.	H	α-helix	trans	-62.2	-49	175.5	-177.7	84	0	0	0	112.1	T357 F358 N363 S364 H365 L389 I393 I451 I452 A456 M542 T561	T357-W361 PolarHBondContact O-N 3.31Å; F358-W361 PolarHBondContact O-N 2.95Å; W361-N363 VanDerWaalsContact C-N 3.29Å; W361-N363 PolarHBondContact O-N 2.99Å; W361-S364 WeakPolarHBondContact O-CB 3.27Å; W361-S364 PolarHBondContact O-N 2.94Å; W361-S364 VanDerWaalsContact O-N 3.09Å; W361-S364 PolarHBondContact O-OG 3.3Å; W361-H365 AromaticContact CE2-CD2 3.61Å; W361-H365 AromaticContact CE2-NE2 3.42Å; W361-H365 AromaticContact CZ2-CD2 3.67Å; W361-H365 AromaticContact CZ2-NE2 3.43Å; W361-H365 WeakPolarHBondContact CZ2-NE2 3.33Å; W361-H365 AromaticContact NE1-CD2 3.96Å; W361-H365 AromaticContact NE1-NE2 3.47Å; W361-H365 PolarHBondContact NE1-NE2 3.48Å; W361-H365 PolarHBondContact O-CD2 3.1Å; W361-L389 HydrophobicContact CZ3-CD1 4.49Å; W361-L389 HydrophobicContact CZ3-CD2 4.35Å; W361-I393 HydrophobicContact CH2-CG2 4.22Å; W361-I451 HydrophobicContact CH2-CG2 4.16Å; W361-I451 HydrophobicContact CZ3-CG2 4.42Å; W361-I452 HydrophobicContact CD2-CD1 3.86Å; W361-I452 HydrophobicContact CD2-CG1 3.62Å; W361-I452 HydrophobicContact CE3-CD1 3.77Å; W361-I452 HydrophobicContact CE3-CG1 3.51Å; W361-I452 HydrophobicContact CG-CD1 4.2Å; W361-I452 HydrophobicContact CG-CG1 4.37Å; W361-I452 HydrophobicContact CH2-CG1 3.77Å; W361-I452 HydrophobicContact CZ2-CG1 3.87Å; W361-I452 HydrophobicContact CZ3-CD1 4.29Å; W361-I452 HydrophobicContact CZ3-CG1 3.58Å; W361-A456 HydrophobicContact CZ2-CB 4.39Å; W361-M542 HydrophobicContact CB-SD 3.96Å; W361-M542 HydrophobicContact CG-SD 4.48Å; W361-T561 HydrophobicContact CB-CG2 4.24Å; W361-T561 HydrophobicContact CG-CG2 3.97Å
362	C	84	Confident	74.2	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-57.4	-42.4	176.4	-70.6	0	0	0	0	111.8	F358 T359 S364 H365 L366 I373 F380 L389	F358-C362 PolarHBondContact O-N 3.06Å; F358-C362 PolarHBondContact O-SG 3.3Å; T359-C362 PolarHBondContact O-N 3.15Å; C362-S364 VanDerWaalsContact C-N 3.32Å; C362-S364 PolarHBondContact O-N 3.47Å; C362-H365 PolarHBondContact O-N 3.19Å; C362-L366 WeakPolarHBondContact O-CB 3.34Å; C362-L366 WeakPolarHBondContact O-CG 3.31Å; C362-L366 PolarHBondContact O-N 2.96Å; C362-I373 HydrophobicContact CB-CD1 3.66Å; C362-I373 HydrophobicContact CB-CG1 4.24Å; C362-F380 HydrophobicContact CB-CZ 4.25Å; C362-L389 HydrophobicContact CB-CD2 4.33Å
363	N	83.7	Confident	75.5	Confident	41 Å²	41	45.6 Å²	45.6	22%	0.219	25%	0.246	C	C	.	.	H	α-helix	trans	-66	-31.9	177.7	-76.3	-21.8	0	0	0	113.4	T359 A360 W361 H365 L366 R367 Q372 I373	T359-N363 WeakPolarHBondContact O-CB 3.34Å; T359-N363 PolarHBondContact O-N 3.48Å; T359-N363 PolarHBondContact O-ND2 3.04Å; A360-N363 PolarHBondContact O-N 3.07Å; W361-N363 VanDerWaalsContact C-N 3.29Å; W361-N363 PolarHBondContact O-N 2.99Å; N363-H365 PolarHBondContact O-N 2.78Å; N363-L366 PolarHBondContact O-N 2.71Å; N363-R367 WeakPolarHBondContact O-CB 3.43Å; N363-R367 WeakPolarHBondContact O-CG 3.18Å; N363-R367 PolarHBondContact O-N 3.28Å; N363-Q372 WeakPolarHBondContact OD1-CA 3.14Å; N363-I373 PolarHBondContact ND2-O 3.16Å; N363-I373 WeakPolarHBondContact OD1-CG1 3.37Å; N363-I373 PolarHBondContact OD1-N 3.3Å; N363-I373 PolarHBondContact OD1-O 3.17Å
364	S	80.3	Confident	76.7	Confident	13 Å²	13	51.4 Å²	51.4	9%	0.091	27%	0.274	C	S	.	.	H	α-helix	trans	-62.1	-28.8	175.9	81.6	0	0	0	0	113.5	A360 W361 C362 R367	A360-S364 PolarHBondContact O-N 3.29Å; W361-S364 WeakPolarHBondContact O-CB 3.27Å; W361-S364 PolarHBondContact O-N 2.94Å; W361-S364 VanDerWaalsContact O-N 3.09Å; W361-S364 PolarHBondContact O-OG 3.3Å; C362-S364 VanDerWaalsContact C-N 3.32Å; C362-S364 PolarHBondContact O-N 3.47Å; S364-R367 VanDerWaalsContact O-CG 3.28Å; S364-R367 WeakPolarHBondContact O-CG 3.19Å; S364-R367 PolarHBondContact O-NE 3.26Å; S364-R367 VanDerWaalsContact O-NE 3.1Å
365	H	81.7	Confident	77.8	Confident	42 Å²	42	51.8 Å²	51.8	19%	0.194	28%	0.275	C	S	.	.	H	α-helix	trans	-90.8	-46.3	175.1	-68.6	-76.5	0	0	0	111.2	W361 C362 N363 R367 K368 L389 V392 I393	W361-H365 AromaticContact CE2-CD2 3.61Å; W361-H365 AromaticContact CE2-NE2 3.42Å; W361-H365 AromaticContact CZ2-CD2 3.67Å; W361-H365 AromaticContact CZ2-NE2 3.43Å; W361-H365 WeakPolarHBondContact CZ2-NE2 3.33Å; W361-H365 AromaticContact NE1-CD2 3.96Å; W361-H365 AromaticContact NE1-NE2 3.47Å; W361-H365 PolarHBondContact NE1-NE2 3.48Å; W361-H365 PolarHBondContact O-CD2 3.1Å; C362-H365 PolarHBondContact O-N 3.19Å; N363-H365 PolarHBondContact O-N 2.78Å; H365-R367 VanDerWaalsContact C-N 3.26Å; H365-R367 PolarHBondContact O-N 3.02Å; H365-K368 WeakPolarHBondContact O-CB 3.46Å; H365-K368 PolarHBondContact O-N 3.04Å; H365-L389 HydrophobicContact CB-CD1 3.77Å; H365-V392 HydrophobicContact CB-CG1 4.15Å; H365-V392 WeakPolarHBondContact O-CG1 3.49Å; H365-I393 HydrophobicContact CB-CG2 4.2Å
366	L	83.9	Confident	78.8	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-63.2	-28	-179.1	-72	174.9	0	0	0	113.8	C362 N363 K368 A369 G370 T371 I373 L388 L389	C362-L366 WeakPolarHBondContact O-CB 3.34Å; C362-L366 WeakPolarHBondContact O-CG 3.31Å; C362-L366 PolarHBondContact O-N 2.96Å; N363-L366 PolarHBondContact O-N 2.71Å; L366-K368 PolarHBondContact O-N 2.69Å; L366-A369 CarbonylContact O-C 3.54Å; L366-A369 WeakPolarHBondContact O-CA 3.2Å; L366-A369 PolarHBondContact O-N 3.24Å; L366-G370 PolarHBondContact O-N 3.48Å; L366-T371 CarbonylContact C-O 3.6Å; L366-T371 HydrophobicContact CB-CG2 3.88Å; L366-T371 VanDerWaalsContact CB-O 3.31Å; L366-T371 WeakPolarHBondContact CB-O 2.92Å; L366-T371 HydrophobicContact CD1-CG2 4.49Å; L366-T371 HydrophobicContact CD2-CG2 3.77Å; L366-T371 HydrophobicContact CG-CG2 4.25Å; L366-T371 PolarHBondContact O-N 3.32Å; L366-T371 VanDerWaalsContact O-N 3.12Å; L366-T371 VanDerWaalsContact O-O 3.07Å; L366-I373 HydrophobicContact CD1-CG2 3.9Å; L366-L388 HydrophobicContact CD2-CD2 4.31Å; L366-L388 HydrophobicContact CD2-CG 4.35Å; L366-L389 HydrophobicContact CD2-CB 4.01Å; L366-L389 HydrophobicContact CD2-CD1 4.42Å; L366-L389 HydrophobicContact CG-CB 4.5Å; L366-L389 HydrophobicContact CG-CD1 4.18Å
367	R	81.2	Confident	79.3	Confident	107 Å²	107	46.2 Å²	46.2	40%	0.404	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-56.6	-33.1	172.9	70.7	-176.5	177.7	163.6	3.6	112.3	N363 S364 H365 A369 G370 T371 D538	N363-R367 WeakPolarHBondContact O-CB 3.43Å; N363-R367 WeakPolarHBondContact O-CG 3.18Å; N363-R367 PolarHBondContact O-N 3.28Å; S364-R367 VanDerWaalsContact O-CG 3.28Å; S364-R367 WeakPolarHBondContact O-CG 3.19Å; S364-R367 PolarHBondContact O-NE 3.26Å; S364-R367 VanDerWaalsContact O-NE 3.1Å; H365-R367 VanDerWaalsContact C-N 3.26Å; H365-R367 PolarHBondContact O-N 3.02Å; R367-A369 PolarHBondContact O-N 2.57Å; R367-G370 PolarHBondContact O-N 3.06Å; R367-G370 VanDerWaalsContact O-N 3.11Å; R367-T371 PolarHBondContact N-O 3.22Å; R367-D538 IonicContact CZ-OD1 3.92Å; R367-D538 IonicContact CZ-OD2 3.6Å; R367-D538 IonicContact NH1-OD1 3.62Å; R367-D538 PolarHBondContact NH1-OD1 3.43Å; R367-D538 IonicContact NH1-OD2 3.92Å; R367-D538 PolarHBondContact NH2-O 3.01Å; R367-D538 IonicContact NH2-OD1 3.32Å; R367-D538 PolarHBondContact NH2-OD1 2.79Å; R367-D538 IonicContact NH2-OD2 2.83Å; R367-D538 PolarHBondContact NH2-OD2 2.75Å
368	K	78	Confident	79.9	Confident	152 Å²	152	52 Å²	52	66%	0.661	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-67.9	-25.9	178	-58.1	-176.3	179.7	-175.2	0	112.4	H365 L366 V392	H365-K368 WeakPolarHBondContact O-CB 3.46Å; H365-K368 PolarHBondContact O-N 3.04Å; L366-K368 PolarHBondContact O-N 2.69Å; K368-V392 HydrophobicContact CB-CG1 4.5Å
369	A	77	Confident	80.1	Confident	45 Å²	45	53.6 Å²	53.6	37%	0.372	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-98.3	7.7	174.3	0	0	0	0	0	113.2	L366 R367 L388 V392	L366-A369 CarbonylContact O-C 3.54Å; L366-A369 WeakPolarHBondContact O-CA 3.2Å; L366-A369 PolarHBondContact O-N 3.24Å; R367-A369 PolarHBondContact O-N 2.57Å; A369-L388 HydrophobicContact CB-CD1 4.28Å; A369-L388 HydrophobicContact CB-CD2 4.06Å; A369-L388 HydrophobicContact CB-CG 4.21Å; A369-V392 HydrophobicContact CB-CG2 3.72Å
370	G	79.4	Confident	80.6	Confident	71 Å²	71	52.8 Å²	52.8	73%	0.732	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.4	25.7	176.9	0	0	0	0	0	115.4	L366 R367	L366-G370 PolarHBondContact O-N 3.48Å; R367-G370 PolarHBondContact O-N 3.06Å; R367-G370 VanDerWaalsContact O-N 3.11Å
371	T	85.9	Confident	81.2	Confident	44 Å²	44	55.6 Å²	55.6	27%	0.27	29%	0.285	S	S	.	.			trans	-135.4	167.2	177.2	-170.1	0	0	0	0	112.6	L366 R367 L388	L366-T371 CarbonylContact C-O 3.6Å; L366-T371 HydrophobicContact CB-CG2 3.88Å; L366-T371 VanDerWaalsContact CB-O 3.31Å; L366-T371 WeakPolarHBondContact CB-O 2.92Å; L366-T371 HydrophobicContact CD1-CG2 4.49Å; L366-T371 HydrophobicContact CD2-CG2 3.77Å; L366-T371 HydrophobicContact CG-CG2 4.25Å; L366-T371 PolarHBondContact O-N 3.32Å; L366-T371 VanDerWaalsContact O-N 3.12Å; L366-T371 VanDerWaalsContact O-O 3.07Å; R367-T371 PolarHBondContact N-O 3.22Å; T371-L388 HydrophobicContact CG2-CD2 3.61Å
372	Q	83.1	Confident	81.3	Confident	121 Å²	121	57.8 Å²	57.8	57%	0.565	30%	0.296	S	S	*	.			trans	-147	162.3	176.9	66.9	-174.9	15.2	0	0	112.5	N363 K385	N363-Q372 WeakPolarHBondContact OD1-CA 3.14Å; Q372-K385 PolarHBondContact O-NZ 3.38Å
373	I	85.1	Confident	81.3	Confident	3 Å²	3	57.8 Å²	57.8	2%	0.015	30%	0.296	C	S	.	.			trans	-113.9	137.3	170.9	59	164.4	0	0	0	110.2	T359 C362 N363 L366 I376 D379 F380 K385	T359-I373 HydrophobicContact CG2-CD1 4.1Å; T359-I373 HydrophobicContact CG2-CG1 4.02Å; C362-I373 HydrophobicContact CB-CD1 3.66Å; C362-I373 HydrophobicContact CB-CG1 4.24Å; N363-I373 PolarHBondContact ND2-O 3.16Å; N363-I373 WeakPolarHBondContact OD1-CG1 3.37Å; N363-I373 PolarHBondContact OD1-N 3.3Å; N363-I373 PolarHBondContact OD1-O 3.17Å; L366-I373 HydrophobicContact CD1-CG2 3.9Å; I373-I376 HydrophobicContact CD1-CB 4.2Å; I373-I376 HydrophobicContact CD1-CD1 4.43Å; I373-I376 HydrophobicContact CD1-CG1 3.97Å; I373-D379 WeakPolarHBondContact CA-OD2 3.31Å; I373-D379 HydrophobicContact CB-CB 3.92Å; I373-D379 HydrophobicContact CG2-CB 3.63Å; I373-F380 HydrophobicContact CD1-CE2 3.95Å; I373-F380 HydrophobicContact CD1-CZ 3.83Å; I373-F380 HydrophobicContact CG2-CE1 4.3Å; I373-K385 HydrophobicContact CG2-CB 4.46Å; I373-K385 HydrophobicContact CG2-CD 3.54Å
374	E	76.3	Confident	81.4	Confident	166 Å²	166	58.8 Å²	58.8	78%	0.776	30%	0.302	S	S	*	.	S	Bend	trans	-101.4	-39.2	175	-67.1	-177.2	-177.3	0	0	110.3	D379	E374-D379 PolarHBondContact N-OD2 3.05Å
375	N	75.4	Confident	81.8	Confident	56 Å²	56	60.4 Å²	60.4	30%	0.299	31%	0.307	S	S	.	.			trans	-131	105.9	178.6	-175.7	-12.4	0	0	0	110.4	E377 E378 D379	N375-E377 PolarHBondContact O-N 3.38Å; N375-E377 VanDerWaalsContact O-N 3.09Å; N375-E377 WeakPolarHBondContact OD1-CB 3.22Å; N375-E377 PolarHBondContact OD1-N 3.04Å; N375-E378 HydrophobicContact CB-CB 4.37Å; N375-E378 PolarHBondContact O-N 2.97Å; N375-D379 PolarHBondContact N-OD2 3.42Å; N375-D379 VanDerWaalsContact O-CB 3.25Å; N375-D379 WeakPolarHBondContact O-CB 3.5Å; N375-D379 PolarHBondContact O-N 3.33Å
376	I	78.4	Confident	82.2	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-56.9	-27.6	-177.4	-158.6	167.6	0	0	0	113.8	I355 F358 I373 F380 L445 I448	I355-I376 HydrophobicContact CG2-CG2 3.97Å; F358-I376 HydrophobicContact CB-CD1 3.93Å; I373-I376 HydrophobicContact CD1-CB 4.2Å; I373-I376 HydrophobicContact CD1-CD1 4.43Å; I373-I376 HydrophobicContact CD1-CG1 3.97Å; I376-F380 HydrophobicContact CD1-CE2 4.07Å; I376-F380 HydrophobicContact CG1-CD2 3.66Å; I376-F380 HydrophobicContact CG1-CE2 3.49Å; I376-F380 VanDerWaalsContact CG1-CE2 3.49Å; I376-F380 WeakPolarHBondContact O-CD2 3.27Å; I376-L445 HydrophobicContact CD1-CD2 4.28Å; I376-L445 HydrophobicContact CG2-CD2 4.26Å; I376-I448 HydrophobicContact CD1-CG1 4.21Å
377	E	71.8	Confident	82.4	Confident	49 Å²	49	58.6 Å²	58.6	23%	0.229	30%	0.299	C	S	.	.	H	α-helix	trans	-78.9	-27.6	-179.5	-59.3	178.1	-179.8	0	0	112.7	N375 R381 A441	N375-E377 PolarHBondContact O-N 3.38Å; N375-E377 VanDerWaalsContact O-N 3.09Å; N375-E377 WeakPolarHBondContact OD1-CB 3.22Å; N375-E377 PolarHBondContact OD1-N 3.04Å; E377-R381 VanDerWaalsContact O-CD 3.27Å; E377-R381 WeakPolarHBondContact O-CD 3.36Å; E377-R381 WeakPolarHBondContact O-CG 3.37Å; E377-A441 HydrophobicContact CG-CB 4Å; E377-A441 WeakPolarHBondContact OE1-CB 3.45Å
378	E	77.4	Confident	82.7	Confident	128 Å²	128	56 Å²	56	60%	0.598	29%	0.293	S	S	*	.	H	α-helix	trans	-100.3	-39.7	-177.5	-68.3	-167.1	157.4	0	0	112.2	N375 F380 R381	N375-E378 HydrophobicContact CB-CB 4.37Å; N375-E378 PolarHBondContact O-N 2.97Å; E378-F380 VanDerWaalsContact C-N 3.33Å; E378-F380 PolarHBondContact O-N 3.39Å; E378-R381 WeakPolarHBondContact O-CB 3.49Å; E378-R381 WeakPolarHBondContact O-CG 3.39Å; E378-R381 PolarHBondContact O-N 3.27Å
379	D	83.9	Confident	83.2	Confident	38 Å²	38	48.8 Å²	48.8	20%	0.203	26%	0.261	C	S	.	.	H	α-helix	trans	-72.5	-22.1	-172.1	-82.5	-49.2	0	0	0	114.1	I373 E374 N375 K385	I373-D379 WeakPolarHBondContact CA-OD2 3.31Å; I373-D379 HydrophobicContact CB-CB 3.92Å; I373-D379 HydrophobicContact CG2-CB 3.63Å; E374-D379 PolarHBondContact N-OD2 3.05Å; N375-D379 PolarHBondContact N-OD2 3.42Å; N375-D379 VanDerWaalsContact O-CB 3.25Å; N375-D379 WeakPolarHBondContact O-CB 3.5Å; N375-D379 PolarHBondContact O-N 3.33Å; D379-K385 HydrophobicContact CB-CD 4.15Å; D379-K385 IonicContact OD1-NZ 3.84Å; D379-K385 PolarHBondContact OD1-NZ 2.87Å; D379-K385 IonicContact OD2-NZ 3.72Å
380	F	88.9	Confident	83.7	Confident	1 Å²	1	46.7 Å²	46.7	0%	0.004	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-5.7	176	-71.5	-39.7	0	0	0	114.3	C362 I373 I376 E378 D382 G383 K385 L386 L389 T444 I448	C362-F380 HydrophobicContact CB-CZ 4.25Å; I373-F380 HydrophobicContact CD1-CE2 3.95Å; I373-F380 HydrophobicContact CD1-CZ 3.83Å; I373-F380 HydrophobicContact CG2-CE1 4.3Å; I376-F380 HydrophobicContact CD1-CE2 4.07Å; I376-F380 HydrophobicContact CG1-CD2 3.66Å; I376-F380 HydrophobicContact CG1-CE2 3.49Å; I376-F380 VanDerWaalsContact CG1-CE2 3.49Å; I376-F380 WeakPolarHBondContact O-CD2 3.27Å; E378-F380 VanDerWaalsContact C-N 3.33Å; E378-F380 PolarHBondContact O-N 3.39Å; F380-D382 PolarHBondContact O-N 3.08Å; F380-G383 PolarHBondContact O-N 3.38Å; F380-G383 VanDerWaalsContact O-N 3.1Å; F380-K385 HydrophobicContact CD1-CB 4.02Å; F380-K385 HydrophobicContact CE1-CB 4.05Å; F380-L386 HydrophobicContact CD1-CB 3.87Å; F380-L386 HydrophobicContact CE1-CB 4.38Å; F380-L386 HydrophobicContact CG-CB 4.47Å; F380-L389 HydrophobicContact CE1-CD2 4.4Å; F380-L389 HydrophobicContact CZ-CD2 3.93Å; F380-T444 HydrophobicContact CD2-CG2 4.31Å; F380-I448 HydrophobicContact CD2-CD1 4.06Å; F380-I448 HydrophobicContact CD2-CG1 4.42Å; F380-I448 HydrophobicContact CE2-CD1 3.45Å; F380-I448 VanDerWaalsContact CE2-CD1 3.45Å; F380-I448 HydrophobicContact CE2-CG1 4.03Å; F380-I448 HydrophobicContact CZ-CD1 4.03Å
381	R	87.9	Confident	84	Confident	87 Å²	87	45.7 Å²	45.7	33%	0.328	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-22	-174.8	-62.9	-179.1	64.3	177	5.9	114.2	E377 E378 V437	E377-R381 VanDerWaalsContact O-CD 3.27Å; E377-R381 WeakPolarHBondContact O-CD 3.36Å; E377-R381 WeakPolarHBondContact O-CG 3.37Å; E378-R381 WeakPolarHBondContact O-CB 3.49Å; E378-R381 WeakPolarHBondContact O-CG 3.39Å; E378-R381 PolarHBondContact O-N 3.27Å; R381-V437 VanDerWaalsContact CZ-O 3.32Å; R381-V437 PolarHBondContact NE-O 3.34Å; R381-V437 PolarHBondContact NH2-O 3.26Å
382	D	83.7	Confident	84	Confident	49 Å²	49	45.7 Å²	45.7	26%	0.262	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-6.8	178.2	70.3	9.2	0	0	0	113.9	F380 L384 K410 N413	F380-D382 PolarHBondContact O-N 3.08Å; D382-L384 PolarHBondContact O-N 3.41Å; D382-L384 WeakPolarHBondContact OD1-CB 3.29Å; D382-L384 PolarHBondContact OD1-N 2.71Å; D382-K410 HydrophobicContact CB-CD 4.27Å; D382-K410 HydrophobicContact CB-CG 4.28Å; D382-N413 PolarHBondContact O-ND2 3.34Å
383	G	83.5	Confident	84	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.201	C	C	.	.	S	Bend	trans	73	-10.3	-178.2	0	0	0	0	0	115	F380 L386 M387	F380-G383 PolarHBondContact O-N 3.38Å; F380-G383 VanDerWaalsContact O-N 3.1Å; G383-L386 PolarHBondContact O-N 2.94Å; G383-M387 WeakPolarHBondContact O-CB 3.46Å; G383-M387 WeakPolarHBondContact O-CG 3.15Å; G383-M387 PolarHBondContact O-N 3.02Å
384	L	87.4	Confident	83.8	Confident	63 Å²	63	42.9 Å²	42.9	33%	0.33	21%	0.211	S	C	.	.	H	α-helix	trans	-72.7	-49.6	-172.4	-64.2	176.8	0	0	0	111.7	D382 L386 M387 L388 P401	D382-L384 PolarHBondContact O-N 3.41Å; D382-L384 WeakPolarHBondContact OD1-CB 3.29Å; D382-L384 PolarHBondContact OD1-N 2.71Å; L384-L386 PolarHBondContact O-N 3.21Å; L384-M387 PolarHBondContact O-N 3.36Å; L384-L388 PolarHBondContact O-N 3.39Å; L384-P401 HydrophobicContact CD2-CB 3.42Å; L384-P401 VanDerWaalsContact CD2-CB 3.42Å; L384-P401 HydrophobicContact CD2-CG 4.02Å
385	K	88.3	Confident	83.8	Confident	46 Å²	46	38.4 Å²	38.4	20%	0.2	21%	0.21	C	C	.	.	H	α-helix	trans	-67.5	-29.1	177.2	-64.8	-170.8	-175	178.1	0	111.8	Q372 I373 D379 F380 L389	Q372-K385 PolarHBondContact O-NZ 3.38Å; I373-K385 HydrophobicContact CG2-CB 4.46Å; I373-K385 HydrophobicContact CG2-CD 3.54Å; D379-K385 HydrophobicContact CB-CD 4.15Å; D379-K385 IonicContact OD1-NZ 3.84Å; D379-K385 PolarHBondContact OD1-NZ 2.87Å; D379-K385 IonicContact OD2-NZ 3.72Å; F380-K385 HydrophobicContact CD1-CB 4.02Å; F380-K385 HydrophobicContact CE1-CB 4.05Å; K385-L389 WeakPolarHBondContact O-CB 3.46Å; K385-L389 PolarHBondContact O-N 3.45Å
386	L	89.3	Confident	84	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-68.9	-47.3	175	179.5	62.6	0	0	0	111.3	F380 G383 L384 L388 L389 L390 A417 M447 I448 I451	F380-L386 HydrophobicContact CD1-CB 3.87Å; F380-L386 HydrophobicContact CE1-CB 4.38Å; F380-L386 HydrophobicContact CG-CB 4.47Å; G383-L386 PolarHBondContact O-N 2.94Å; L384-L386 PolarHBondContact O-N 3.21Å; L386-L388 VanDerWaalsContact C-N 3.35Å; L386-L388 PolarHBondContact O-N 2.97Å; L386-L389 WeakPolarHBondContact O-CB 3.5Å; L386-L389 PolarHBondContact O-N 2.67Å; L386-L390 WeakPolarHBondContact O-CG 3.47Å; L386-L390 PolarHBondContact O-N 3.16Å; L386-A417 HydrophobicContact CD2-CB 3.77Å; L386-A417 HydrophobicContact CG-CB 3.95Å; L386-M447 HydrophobicContact CD1-CE 3.6Å; L386-M447 HydrophobicContact CD1-SD 4.37Å; L386-M447 HydrophobicContact CD2-CE 3.67Å; L386-M447 HydrophobicContact CD2-SD 3.78Å; L386-M447 HydrophobicContact CG-CE 4.28Å; L386-I448 HydrophobicContact CD1-CD1 4.35Å; L386-I451 HydrophobicContact CD1-CD1 4.09Å
387	M	89	Confident	84.1	Confident	5 Å²	5	51.3 Å²	51.3	3%	0.025	26%	0.258	C	S	.	.	H	α-helix	trans	-60.1	-45.8	175.5	-72.1	176.1	75.4	0	0	111.2	G383 L384 L389 L390 E391 L398 A399 P401 N413 K416 A417	G383-M387 WeakPolarHBondContact O-CB 3.46Å; G383-M387 WeakPolarHBondContact O-CG 3.15Å; G383-M387 PolarHBondContact O-N 3.02Å; L384-M387 PolarHBondContact O-N 3.36Å; M387-L389 VanDerWaalsContact C-N 3.33Å; M387-L389 PolarHBondContact O-N 2.73Å; M387-L390 WeakPolarHBondContact O-CB 3.31Å; M387-L390 PolarHBondContact O-N 3.4Å; M387-L390 VanDerWaalsContact O-N 3.12Å; M387-E391 WeakPolarHBondContact O-CG 3.36Å; M387-E391 PolarHBondContact O-N 2.87Å; M387-L398 HydrophobicContact CB-CD2 4.38Å; M387-L398 HydrophobicContact CE-CB 4.02Å; M387-L398 HydrophobicContact CE-CD2 4.3Å; M387-L398 HydrophobicContact CG-CD2 4.24Å; M387-A399 WeakPolarHBondContact CE-O 3.32Å; M387-P401 HydrophobicContact CE-CB 4.25Å; M387-P401 HydrophobicContact SD-CB 4Å; M387-N413 HydrophobicContact SD-CB 3.9Å; M387-K416 HydrophobicContact CE-CB 4.07Å; M387-K416 HydrophobicContact CE-CD 4.27Å; M387-K416 HydrophobicContact SD-CB 4.43Å; M387-A417 HydrophobicContact CG-CB 3.94Å
388	L	87.6	Confident	84.7	Confident	53 Å²	53	50 Å²	50	28%	0.277	25%	0.252	S	S	.	.	H	α-helix	trans	-62.9	-39.3	177.9	-173.8	67.2	0	0	0	112.2	L366 A369 T371 L384 L386 L390 E391 V392	L366-L388 HydrophobicContact CD2-CD2 4.31Å; L366-L388 HydrophobicContact CD2-CG 4.35Å; A369-L388 HydrophobicContact CB-CD1 4.28Å; A369-L388 HydrophobicContact CB-CD2 4.06Å; A369-L388 HydrophobicContact CB-CG 4.21Å; T371-L388 HydrophobicContact CG2-CD2 3.61Å; L384-L388 PolarHBondContact O-N 3.39Å; L386-L388 VanDerWaalsContact C-N 3.35Å; L386-L388 PolarHBondContact O-N 2.97Å; L388-L390 VanDerWaalsContact C-N 3.31Å; L388-L390 PolarHBondContact O-N 2.91Å; L388-E391 PolarHBondContact O-N 3.35Å; L388-V392 VanDerWaalsContact O-CG2 3.27Å; L388-V392 WeakPolarHBondContact O-CG2 3.48Å; L388-V392 PolarHBondContact O-N 2.91Å
389	L	88.4	Confident	84.7	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-58.7	-44.9	173.2	178.1	64.6	0	0	0	110.9	W361 C362 H365 L366 F380 K385 L386 M387 V392 I393 I448	W361-L389 HydrophobicContact CZ3-CD1 4.49Å; W361-L389 HydrophobicContact CZ3-CD2 4.35Å; C362-L389 HydrophobicContact CB-CD2 4.33Å; H365-L389 HydrophobicContact CB-CD1 3.77Å; L366-L389 HydrophobicContact CD2-CB 4.01Å; L366-L389 HydrophobicContact CD2-CD1 4.42Å; L366-L389 HydrophobicContact CG-CB 4.5Å; L366-L389 HydrophobicContact CG-CD1 4.18Å; F380-L389 HydrophobicContact CE1-CD2 4.4Å; F380-L389 HydrophobicContact CZ-CD2 3.93Å; K385-L389 WeakPolarHBondContact O-CB 3.46Å; K385-L389 PolarHBondContact O-N 3.45Å; L386-L389 WeakPolarHBondContact O-CB 3.5Å; L386-L389 PolarHBondContact O-N 2.67Å; M387-L389 VanDerWaalsContact C-N 3.33Å; M387-L389 PolarHBondContact O-N 2.73Å; L389-V392 PolarHBondContact O-N 2.86Å; L389-I393 HydrophobicContact CD1-CG2 4.12Å; L389-I393 WeakPolarHBondContact O-CG1 3.37Å; L389-I393 WeakPolarHBondContact O-CG2 3.44Å; L389-I393 PolarHBondContact O-N 2.9Å; L389-I448 HydrophobicContact CD2-CD1 4.36Å
390	L	87.1	Confident	84.5	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-63.2	-40	177.2	-67.6	173.2	0	0	0	112.5	L386 M387 L388 I393 S394 L398 A417 F420 I421 I451	L386-L390 WeakPolarHBondContact O-CG 3.47Å; L386-L390 PolarHBondContact O-N 3.16Å; M387-L390 WeakPolarHBondContact O-CB 3.31Å; M387-L390 PolarHBondContact O-N 3.4Å; M387-L390 VanDerWaalsContact O-N 3.12Å; L388-L390 VanDerWaalsContact C-N 3.31Å; L388-L390 PolarHBondContact O-N 2.91Å; L390-I393 HydrophobicContact CD2-CD1 3.91Å; L390-I393 WeakPolarHBondContact O-CG1 3.44Å; L390-S394 VanDerWaalsContact O-CB 3.24Å; L390-S394 WeakPolarHBondContact O-CB 3.36Å; L390-S394 PolarHBondContact O-N 3.31Å; L390-S394 PolarHBondContact O-OG 3.49Å; L390-L398 HydrophobicContact CB-CD1 4.09Å; L390-L398 HydrophobicContact CB-CD2 4.37Å; L390-L398 HydrophobicContact CD1-CD2 4.21Å; L390-A417 HydrophobicContact CD1-CB 3.68Å; L390-A417 WeakPolarHBondContact CD1-O 3.5Å; L390-F420 HydrophobicContact CB-CD1 4.12Å; L390-F420 HydrophobicContact CB-CE1 4.2Å; L390-F420 HydrophobicContact CD1-CD1 4.1Å; L390-F420 HydrophobicContact CD2-CD1 4.49Å; L390-F420 HydrophobicContact CG-CD1 4.47Å; L390-I421 HydrophobicContact CD1-CD1 3.89Å; L390-I421 HydrophobicContact CD1-CG1 3.82Å; L390-I421 HydrophobicContact CD2-CD1 4.07Å; L390-I421 HydrophobicContact CD2-CG1 3.71Å; L390-I421 HydrophobicContact CG-CG1 4.43Å; L390-I451 HydrophobicContact CD2-CD1 4.21Å; L390-I451 HydrophobicContact CD2-CG1 4.35Å; L390-I451 HydrophobicContact CD2-CG2 4.39Å
391	E	86.7	Confident	84.3	Confident	50 Å²	50	56.7 Å²	56.7	23%	0.234	30%	0.295	C	S	.	.	H	α-helix	trans	-62.2	-43.7	174.8	-66.3	-175.8	155.4	0	0	111.4	M387 L388 G395 E396 L398	M387-E391 WeakPolarHBondContact O-CG 3.36Å; M387-E391 PolarHBondContact O-N 2.87Å; L388-E391 PolarHBondContact O-N 3.35Å; E391-G395 WeakPolarHBondContact O-CA 3.38Å; E391-G395 PolarHBondContact O-N 3.23Å; E391-E396 WeakPolarHBondContact CA-O 3.24Å; E391-E396 WeakPolarHBondContact CG-O 3.49Å; E391-L398 HydrophobicContact CB-CD1 4.46Å; E391-L398 HydrophobicContact CG-CB 4.18Å; E391-L398 HydrophobicContact CG-CD1 3.51Å; E391-L398 HydrophobicContact CG-CG 4.41Å; E391-L398 PolarHBondContact OE1-N 3.37Å
392	V	85.1	Confident	84	Confident	45 Å²	45	56 Å²	56	27%	0.273	30%	0.296	S	S	.	.	H	α-helix	trans	-69.1	-38.5	-178.3	173.8	0	0	0	0	112.3	H365 K368 A369 L388 L389	H365-V392 HydrophobicContact CB-CG1 4.15Å; H365-V392 WeakPolarHBondContact O-CG1 3.49Å; K368-V392 HydrophobicContact CB-CG1 4.5Å; A369-V392 HydrophobicContact CB-CG2 3.72Å; L388-V392 VanDerWaalsContact O-CG2 3.27Å; L388-V392 WeakPolarHBondContact O-CG2 3.48Å; L388-V392 PolarHBondContact O-N 2.91Å; L389-V392 PolarHBondContact O-N 2.86Å
393	I	83.4	Confident	83.5	Confident	34 Å²	34	64.8 Å²	64.8	17%	0.174	33%	0.325	C	S	.	.	H	α-helix	trans	-79.9	-28.9	-179.9	67.9	-176.7	0	0	0	112.9	W361 H365 L389 L390 I451 F455	W361-I393 HydrophobicContact CH2-CG2 4.22Å; H365-I393 HydrophobicContact CB-CG2 4.2Å; L389-I393 HydrophobicContact CD1-CG2 4.12Å; L389-I393 WeakPolarHBondContact O-CG1 3.37Å; L389-I393 WeakPolarHBondContact O-CG2 3.44Å; L389-I393 PolarHBondContact O-N 2.9Å; L390-I393 HydrophobicContact CD2-CD1 3.91Å; L390-I393 WeakPolarHBondContact O-CG1 3.44Å; I393-I451 HydrophobicContact CD1-CG2 3.45Å; I393-I451 VanDerWaalsContact CD1-CG2 3.45Å; I393-F455 HydrophobicContact CD1-CB 4.21Å; I393-F455 HydrophobicContact CD1-CD1 4.34Å; I393-F455 HydrophobicContact CD1-CD2 3.77Å; I393-F455 HydrophobicContact CD1-CE2 4.17Å; I393-F455 HydrophobicContact CD1-CG 3.85Å; I393-F455 HydrophobicContact CG1-CD1 4.28Å; I393-F455 HydrophobicContact CG1-CG 4.25Å
394	S	79.5	Confident	82.9	Confident	30 Å²	30	66.2 Å²	66.2	21%	0.21	34%	0.339	C	S	.	.	H	α-helix	trans	-94.3	-20.9	-178.5	66.3	0	0	0	0	113.8	L390 E396 F420	L390-S394 VanDerWaalsContact O-CB 3.24Å; L390-S394 WeakPolarHBondContact O-CB 3.36Å; L390-S394 PolarHBondContact O-N 3.31Å; L390-S394 PolarHBondContact O-OG 3.49Å; S394-E396 PolarHBondContact O-N 2.84Å; S394-E396 PolarHBondContact OG-N 3.29Å; S394-F420 WeakPolarHBondContact OG-CZ 3.43Å
395	G	77.4	Confident	82.3	Confident	73 Å²	73	72.7 Å²	72.7	75%	0.753	37%	0.365	S	S	*	.	S	Bend	trans	73.3	-0.4	-172.1	0	0	0	0	0	114.2	E391	E391-G395 WeakPolarHBondContact O-CA 3.38Å; E391-G395 PolarHBondContact O-N 3.23Å
396	E	80.3	Confident	81.9	Confident	91 Å²	91	76.2 Å²	76.2	43%	0.425	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-102.6	143	-179.3	-70.3	174.9	-161.9	0	0	111.1	E391 S394 F420 K424	E391-E396 WeakPolarHBondContact CA-O 3.24Å; E391-E396 WeakPolarHBondContact CG-O 3.49Å; S394-E396 PolarHBondContact O-N 2.84Å; S394-E396 PolarHBondContact OG-N 3.29Å; E396-F420 HydrophobicContact CB-CE2 4.42Å; E396-F420 HydrophobicContact CB-CZ 4.31Å; E396-K424 IonicContact OE1-NZ 2.71Å; E396-K424 PolarHBondContact OE1-NZ 3.42Å; E396-K424 VanDerWaalsContact OE2-CE 3.3Å; E396-K424 WeakPolarHBondContact OE2-CE 3.33Å; E396-K424 IonicContact OE2-NZ 2.58Å; E396-K424 PolarHBondContact OE2-NZ 3.02Å
397	R	79.2	Confident	81.6	Confident	236 Å²	236	82 Å²	82	89%	0.891	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-83.5	130.8	175.5	-71.7	-156.4	179.7	-164.4	2.4	111.5
398	L	83.7	Confident	81.3	Confident	20 Å²	20	86.8 Å²	86.8	11%	0.105	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-83	163.8	175.5	-85	78.8	0	0	0	110.8	M387 L390 E391 F420	M387-L398 HydrophobicContact CB-CD2 4.38Å; M387-L398 HydrophobicContact CE-CB 4.02Å; M387-L398 HydrophobicContact CE-CD2 4.3Å; M387-L398 HydrophobicContact CG-CD2 4.24Å; L390-L398 HydrophobicContact CB-CD1 4.09Å; L390-L398 HydrophobicContact CB-CD2 4.37Å; L390-L398 HydrophobicContact CD1-CD2 4.21Å; E391-L398 HydrophobicContact CB-CD1 4.46Å; E391-L398 HydrophobicContact CG-CB 4.18Å; E391-L398 HydrophobicContact CG-CD1 3.51Å; E391-L398 HydrophobicContact CG-CG 4.41Å; E391-L398 PolarHBondContact OE1-N 3.37Å; L398-F420 HydrophobicContact CD1-CD1 4.07Å; L398-F420 HydrophobicContact CD1-CD2 4.05Å; L398-F420 HydrophobicContact CD1-CE1 4.04Å; L398-F420 HydrophobicContact CD1-CE2 4.04Å; L398-F420 HydrophobicContact CD1-CG 4.06Å; L398-F420 HydrophobicContact CD1-CZ 4.02Å; L398-F420 HydrophobicContact CD2-CB 3.88Å; L398-F420 HydrophobicContact CD2-CD1 4.3Å; L398-F420 HydrophobicContact CD2-CD2 4.45Å; L398-F420 HydrophobicContact CD2-CG 3.96Å; L398-F420 HydrophobicContact CG-CB 4.33Å; L398-F420 HydrophobicContact CG-CD1 4.45Å; L398-F420 HydrophobicContact CG-CD2 4Å; L398-F420 HydrophobicContact CG-CE2 4.43Å; L398-F420 HydrophobicContact CG-CG 4Å
399	A	78.9	Confident	81.2	Confident	65 Å²	65	86.5 Å²	86.5	54%	0.537	43%	0.432	S	S	.	.	S	Bend	trans	-56.9	141.6	174.3	0	0	0	0	0	111.1	M387	M387-A399 WeakPolarHBondContact CE-O 3.32Å
400	K	79.4	Confident	81.2	Confident	190 Å²	190	89.7 Å²	89.7	83%	0.826	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-53.4	130.9	-173.1	-76.8	-176	179	175.2	0	112.1	K416	K400-K416 PolarHBondContact O-NZ 3.41Å
401	P	83.9	Confident	81.2	Confident	54 Å²	54	91.2 Å²	91.2	35%	0.351	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-72.8	148.8	-179.8	27.5	-33.5	0	0	0	112.1	L384 M387	L384-P401 HydrophobicContact CD2-CB 3.42Å; L384-P401 VanDerWaalsContact CD2-CB 3.42Å; L384-P401 HydrophobicContact CD2-CG 4.02Å; M387-P401 HydrophobicContact CE-CB 4.25Å; M387-P401 HydrophobicContact SD-CB 4Å
402	E	82.2	Confident	81.3	Confident	72 Å²	72	90.2 Å²	90.2	34%	0.336	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-83	121.2	172.3	-73.4	168.9	-141.9	0	0	109.9	G404 H409 S412 N413 K416	E402-G404 VanDerWaalsContact C-N 3.3Å; E402-G404 PolarHBondContact O-N 2.64Å; E402-H409 HydrophobicContact CB-CB 4.19Å; E402-H409 IonicContact OE2-CD2 3.34Å; E402-H409 PolarHBondContact OE2-CD2 3.15Å; E402-S412 PolarHBondContact OE1-OG 2.76Å; E402-N413 PolarHBondContact N-OD1 2.88Å; E402-N413 PolarHBondContact O-ND2 2.94Å; E402-K416 IonicContact OE1-NZ 3.24Å; E402-K416 PolarHBondContact OE1-NZ 2.81Å
403	R	73.2	Confident	81.5	Confident	234 Å²	234	88.2 Å²	88.2	88%	0.883	44%	0.44	S	S	*	.			trans	-86.6	13	-173	-64.8	-175.7	176.1	-177.1	-2.5	114.8
404	G	71.4	Confident	81.8	Confident	29 Å²	29	86.6 Å²	86.6	30%	0.299	43%	0.431	S	S	.	.			trans	-85.4	150.5	-173.9	0	0	0	0	0	113.6	E402 H409	E402-G404 VanDerWaalsContact C-N 3.3Å; E402-G404 PolarHBondContact O-N 2.64Å; G404-H409 VanDerWaalsContact C-ND1 3.3Å; G404-H409 WeakPolarHBondContact CA-ND1 3.47Å; G404-H409 WeakPolarHBondContact O-CB 3.44Å; G404-H409 PolarHBondContact O-ND1 2.95Å
405	K	74	Confident	82.3	Confident	200 Å²	200	88.2 Å²	88.2	87%	0.87	44%	0.438	S	S	*	.			trans	-80.2	-14.4	-175.8	-66.7	-175.7	178.7	-178.9	0	115.2
406	M	79.6	Confident	82.9	Confident	120 Å²	120	87.2 Å²	87.2	59%	0.591	41%	0.413	S	S	*	.	S	Bend	trans	-68.2	147.1	-178.3	-58.6	-164.1	-66.8	0	0	112	V408 H409 K410	M406-V408 PolarHBondContact O-N 3.09Å; M406-V408 VanDerWaalsContact O-N 3.13Å; M406-H409 WeakPolarHBondContact CE-CE1 3.44Å; M406-H409 PolarHBondContact O-N 3.45Å; M406-K410 PolarHBondContact O-N 3.01Å
407	R	83.7	Confident	83.3	Confident	122 Å²	122	82.9 Å²	82.9	46%	0.46	39%	0.393	S	S	.	.	H	α-helix	trans	-52.7	-35.7	179.4	-174.8	174	176.8	-88.1	2	112.7	H409 K410 I411 V437 D438	R407-H409 PolarHBondContact O-N 3.04Å; R407-K410 PolarHBondContact O-N 3.39Å; R407-I411 HydrophobicContact CG-CD1 4.01Å; R407-I411 HydrophobicContact CG-CG1 4.49Å; R407-I411 WeakPolarHBondContact O-CG1 3.26Å; R407-I411 PolarHBondContact O-N 2.98Å; R407-V437 HydrophobicContact CG-CG1 4.01Å; R407-D438 IonicContact CZ-OD1 3.74Å; R407-D438 IonicContact CZ-OD2 3.78Å; R407-D438 IonicContact NE-OD1 3.82Å; R407-D438 PolarHBondContact NE-OD1 3.21Å; R407-D438 VanDerWaalsContact NH2-CG 3.27Å; R407-D438 IonicContact NH2-OD1 3.21Å; R407-D438 PolarHBondContact NH2-OD1 3.26Å; R407-D438 IonicContact NH2-OD2 2.86Å; R407-D438 PolarHBondContact NH2-OD2 3.27Å
408	V	83.3	Confident	83.7	Confident	105 Å²	105	72.1 Å²	72.1	64%	0.636	35%	0.353	S	S	*	.	H	α-helix	trans	-61.3	-40.8	178.3	179.7	0	0	0	0	112.3	M406 I411 S412	M406-V408 PolarHBondContact O-N 3.09Å; M406-V408 VanDerWaalsContact O-N 3.13Å; V408-I411 PolarHBondContact O-N 2.6Å; V408-S412 PolarHBondContact O-N 2.96Å
409	H	85.4	Confident	83.8	Confident	46 Å²	46	76.4 Å²	76.4	21%	0.213	38%	0.375	C	S	.	.	H	α-helix	trans	-69	-36.1	178.1	-52.2	134.8	0	0	0	112	E402 G404 M406 R407 S412 N413	E402-H409 HydrophobicContact CB-CB 4.19Å; E402-H409 IonicContact OE2-CD2 3.34Å; E402-H409 PolarHBondContact OE2-CD2 3.15Å; G404-H409 VanDerWaalsContact C-ND1 3.3Å; G404-H409 WeakPolarHBondContact CA-ND1 3.47Å; G404-H409 WeakPolarHBondContact O-CB 3.44Å; G404-H409 PolarHBondContact O-ND1 2.95Å; M406-H409 WeakPolarHBondContact CE-CE1 3.44Å; M406-H409 PolarHBondContact O-N 3.45Å; R407-H409 PolarHBondContact O-N 3.04Å; H409-S412 WeakPolarHBondContact O-CB 3.36Å; H409-S412 PolarHBondContact O-N 3.41Å; H409-N413 VanDerWaalsContact O-CG 3.29Å; H409-N413 PolarHBondContact O-N 3.47Å; H409-N413 PolarHBondContact O-ND2 3.3Å
410	K	87.4	Confident	84.3	Confident	68 Å²	68	74.5 Å²	74.5	30%	0.296	36%	0.355	S	S	.	.	H	α-helix	trans	-63.5	-43.3	174.5	-60.5	-172.2	175.8	-166.2	0	111.3	D382 M406 R407 N413 V414 V437	D382-K410 HydrophobicContact CB-CD 4.27Å; D382-K410 HydrophobicContact CB-CG 4.28Å; M406-K410 PolarHBondContact O-N 3.01Å; R407-K410 PolarHBondContact O-N 3.39Å; K410-N413 PolarHBondContact O-N 3.29Å; K410-V414 WeakPolarHBondContact O-CG2 3.31Å; K410-V414 PolarHBondContact O-N 2.93Å; K410-V437 HydrophobicContact CB-CG1 3.86Å; K410-V437 HydrophobicContact CB-CG2 4.01Å; K410-V437 HydrophobicContact CD-CG1 4.3Å
411	I	88.3	Confident	84.6	Confident	32 Å²	32	65.5 Å²	65.5	16%	0.164	32%	0.316	C	S	.	.	H	α-helix	trans	-63.5	-42.7	174.8	-68	169.9	0	0	0	110.7	R407 V408 N413 V414 N415 A433 V437	R407-I411 HydrophobicContact CG-CD1 4.01Å; R407-I411 HydrophobicContact CG-CG1 4.49Å; R407-I411 WeakPolarHBondContact O-CG1 3.26Å; R407-I411 PolarHBondContact O-N 2.98Å; V408-I411 PolarHBondContact O-N 2.6Å; I411-N413 PolarHBondContact O-N 2.92Å; I411-V414 PolarHBondContact O-N 2.62Å; I411-N415 WeakPolarHBondContact CG2-ND2 3.47Å; I411-N415 WeakPolarHBondContact O-CB 3.42Å; I411-N415 PolarHBondContact O-N 3.13Å; I411-N415 PolarHBondContact O-ND2 3.4Å; I411-A433 HydrophobicContact CG2-CB 4.24Å; I411-V437 HydrophobicContact CG1-CB 4.16Å; I411-V437 HydrophobicContact CG1-CG1 4.23Å; I411-V437 HydrophobicContact CG1-CG2 3.81Å
412	S	88.2	Confident	84.5	Confident	28 Å²	28	65.3 Å²	65.3	20%	0.196	32%	0.319	C	S	.	.	H	α-helix	trans	-57.6	-46.3	175.1	-178.6	0	0	0	0	111.8	E402 V408 H409 N415 K416	E402-S412 PolarHBondContact OE1-OG 2.76Å; V408-S412 PolarHBondContact O-N 2.96Å; H409-S412 WeakPolarHBondContact O-CB 3.36Å; H409-S412 PolarHBondContact O-N 3.41Å; S412-N415 PolarHBondContact O-N 3.43Å; S412-K416 WeakPolarHBondContact O-CG 3.45Å; S412-K416 PolarHBondContact O-N 3.23Å
413	N	89.6	Confident	84.6	Confident	3 Å²	3	66.2 Å²	66.2	2%	0.016	33%	0.333	C	S	.	.	H	α-helix	trans	-65.4	-42.7	178	-67	-22.8	0	0	0	112.6	D382 M387 E402 H409 K410 I411 K416 A417	D382-N413 PolarHBondContact O-ND2 3.34Å; M387-N413 HydrophobicContact SD-CB 3.9Å; E402-N413 PolarHBondContact N-OD1 2.88Å; E402-N413 PolarHBondContact O-ND2 2.94Å; H409-N413 VanDerWaalsContact O-CG 3.29Å; H409-N413 PolarHBondContact O-N 3.47Å; H409-N413 PolarHBondContact O-ND2 3.3Å; K410-N413 PolarHBondContact O-N 3.29Å; I411-N413 PolarHBondContact O-N 2.92Å; N413-K416 PolarHBondContact O-N 2.88Å; N413-A417 PolarHBondContact O-N 3.43Å; N413-A417 VanDerWaalsContact O-N 3.11Å
414	V	89.9	Confident	84.9	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-67.1	-39	176.5	175.1	0	0	0	0	111.2	K410 I411 K416 A417 L418 A433 I436 V437	K410-V414 WeakPolarHBondContact O-CG2 3.31Å; K410-V414 PolarHBondContact O-N 2.93Å; I411-V414 PolarHBondContact O-N 2.62Å; V414-K416 PolarHBondContact O-N 3.05Å; V414-A417 WeakPolarHBondContact O-CB 3.43Å; V414-A417 PolarHBondContact O-N 2.77Å; V414-A417 VanDerWaalsContact O-N 3.15Å; V414-L418 HydrophobicContact CG1-CD1 4.04Å; V414-L418 HydrophobicContact CG1-CG 4.15Å; V414-L418 WeakPolarHBondContact O-CG 3.24Å; V414-L418 PolarHBondContact O-N 2.97Å; V414-A433 HydrophobicContact CB-CB 4.02Å; V414-A433 HydrophobicContact CG1-CB 3.63Å; V414-I436 HydrophobicContact CG1-CB 3.96Å; V414-I436 HydrophobicContact CG1-CG1 4.19Å; V414-I436 HydrophobicContact CG1-CG2 4.23Å; V414-I436 HydrophobicContact CG2-CG2 4.33Å; V414-V437 HydrophobicContact CB-CG2 4.25Å; V414-V437 HydrophobicContact CG2-CG2 3.76Å
415	N	89.6	Confident	85	Confident	65 Å²	65	58.6 Å²	58.6	35%	0.348	31%	0.313	S	S	.	.	H	α-helix	trans	-60.3	-46	174.1	-81.8	-32.1	0	0	0	111.5	I411 S412 A417 L418 D419 A433	I411-N415 WeakPolarHBondContact CG2-ND2 3.47Å; I411-N415 WeakPolarHBondContact O-CB 3.42Å; I411-N415 PolarHBondContact O-N 3.13Å; I411-N415 PolarHBondContact O-ND2 3.4Å; S412-N415 PolarHBondContact O-N 3.43Å; N415-A417 PolarHBondContact O-N 2.9Å; N415-L418 PolarHBondContact O-N 3.4Å; N415-L418 VanDerWaalsContact O-N 3.1Å; N415-D419 WeakPolarHBondContact O-CB 3.48Å; N415-D419 PolarHBondContact O-N 3.42Å; N415-A433 WeakPolarHBondContact OD1-CB 3.38Å
416	K	89.3	Confident	85.2	Confident	52 Å²	52	49.8 Å²	49.8	23%	0.226	28%	0.276	C	S	.	.	H	α-helix	trans	-56.7	-38.7	174.5	-70.9	168.8	-173.1	168.5	0	112.2	M387 K400 E402 S412 N413 V414 F420	M387-K416 HydrophobicContact CE-CB 4.07Å; M387-K416 HydrophobicContact CE-CD 4.27Å; M387-K416 HydrophobicContact SD-CB 4.43Å; K400-K416 PolarHBondContact O-NZ 3.41Å; E402-K416 IonicContact OE1-NZ 3.24Å; E402-K416 PolarHBondContact OE1-NZ 2.81Å; S412-K416 WeakPolarHBondContact O-CG 3.45Å; S412-K416 PolarHBondContact O-N 3.23Å; N413-K416 PolarHBondContact O-N 2.88Å; V414-K416 PolarHBondContact O-N 3.05Å; K416-F420 WeakPolarHBondContact O-CB 3.44Å; K416-F420 PolarHBondContact O-N 2.84Å
417	A	88.4	Confident	84.9	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-68.8	-44.1	175.1	0	0	0	0	0	112.3	L386 M387 L390 N413 V414 N415 F420 I421	L386-A417 HydrophobicContact CD2-CB 3.77Å; L386-A417 HydrophobicContact CG-CB 3.95Å; M387-A417 HydrophobicContact CG-CB 3.94Å; L390-A417 HydrophobicContact CD1-CB 3.68Å; L390-A417 WeakPolarHBondContact CD1-O 3.5Å; N413-A417 PolarHBondContact O-N 3.43Å; N413-A417 VanDerWaalsContact O-N 3.11Å; V414-A417 WeakPolarHBondContact O-CB 3.43Å; V414-A417 PolarHBondContact O-N 2.77Å; V414-A417 VanDerWaalsContact O-N 3.15Å; N415-A417 PolarHBondContact O-N 2.9Å; A417-F420 PolarHBondContact O-N 2.99Å; A417-I421 WeakPolarHBondContact O-CD1 3.32Å; A417-I421 VanDerWaalsContact O-CG1 3.24Å; A417-I421 WeakPolarHBondContact O-CG1 3.45Å; A417-I421 PolarHBondContact O-N 2.94Å
418	L	88.9	Confident	84.5	Confident	10 Å²	10	49 Å²	49	5%	0.052	27%	0.274	C	S	.	.	H	α-helix	trans	-67.5	-39	179	-67.8	178.9	0	0	0	112.4	V414 N415 F420 I421 A422 L428 A433 M447	V414-L418 HydrophobicContact CG1-CD1 4.04Å; V414-L418 HydrophobicContact CG1-CG 4.15Å; V414-L418 WeakPolarHBondContact O-CG 3.24Å; V414-L418 PolarHBondContact O-N 2.97Å; N415-L418 PolarHBondContact O-N 3.4Å; N415-L418 VanDerWaalsContact O-N 3.1Å; L418-F420 VanDerWaalsContact C-N 3.32Å; L418-F420 PolarHBondContact O-N 3.38Å; L418-I421 HydrophobicContact CD2-CD1 4.32Å; L418-I421 PolarHBondContact O-N 3.16Å; L418-A422 WeakPolarHBondContact O-CB 3.41Å; L418-A422 PolarHBondContact O-N 3.47Å; L418-L428 HydrophobicContact CB-CD1 4.08Å; L418-L428 HydrophobicContact CD2-CD1 3.92Å; L418-L428 HydrophobicContact CD2-CD2 4.46Å; L418-A433 HydrophobicContact CD1-CB 3.95Å; L418-M447 HydrophobicContact CD2-CG 4.26Å; L418-M447 HydrophobicContact CD2-SD 3.81Å
419	D	86.3	Confident	83.8	Confident	109 Å²	109	49.2 Å²	49.2	58%	0.583	28%	0.276	S	S	*	.	H	α-helix	trans	-62.4	-40.8	175.5	-69.3	-26	0	0	0	111.1	N415 A422 S423	N415-D419 WeakPolarHBondContact O-CB 3.48Å; N415-D419 PolarHBondContact O-N 3.42Å; D419-A422 PolarHBondContact O-N 3.47Å; D419-S423 PolarHBondContact O-N 3.36Å
420	F	87.5	Confident	83.3	Confident	26 Å²	26	51.6 Å²	51.6	11%	0.114	30%	0.297	C	S	.	.	H	α-helix	trans	-65.2	-41	173.5	-176.5	-96.1	0	0	0	112.1	L390 S394 E396 L398 K416 A417 L418 A422 S423 K424 F455	L390-F420 HydrophobicContact CB-CD1 4.12Å; L390-F420 HydrophobicContact CB-CE1 4.2Å; L390-F420 HydrophobicContact CD1-CD1 4.1Å; L390-F420 HydrophobicContact CD2-CD1 4.49Å; L390-F420 HydrophobicContact CG-CD1 4.47Å; S394-F420 WeakPolarHBondContact OG-CZ 3.43Å; E396-F420 HydrophobicContact CB-CE2 4.42Å; E396-F420 HydrophobicContact CB-CZ 4.31Å; L398-F420 HydrophobicContact CD1-CD1 4.07Å; L398-F420 HydrophobicContact CD1-CD2 4.05Å; L398-F420 HydrophobicContact CD1-CE1 4.04Å; L398-F420 HydrophobicContact CD1-CE2 4.04Å; L398-F420 HydrophobicContact CD1-CG 4.06Å; L398-F420 HydrophobicContact CD1-CZ 4.02Å; L398-F420 HydrophobicContact CD2-CB 3.88Å; L398-F420 HydrophobicContact CD2-CD1 4.3Å; L398-F420 HydrophobicContact CD2-CD2 4.45Å; L398-F420 HydrophobicContact CD2-CG 3.96Å; L398-F420 HydrophobicContact CG-CB 4.33Å; L398-F420 HydrophobicContact CG-CD1 4.45Å; L398-F420 HydrophobicContact CG-CD2 4Å; L398-F420 HydrophobicContact CG-CE2 4.43Å; L398-F420 HydrophobicContact CG-CG 4Å; K416-F420 WeakPolarHBondContact O-CB 3.44Å; K416-F420 PolarHBondContact O-N 2.84Å; A417-F420 PolarHBondContact O-N 2.99Å; L418-F420 VanDerWaalsContact C-N 3.32Å; L418-F420 PolarHBondContact O-N 3.38Å; F420-A422 VanDerWaalsContact C-N 3.33Å; F420-A422 PolarHBondContact O-N 2.91Å; F420-S423 PolarHBondContact O-N 3.3Å; F420-S423 PolarHBondContact O-OG 3.33Å; F420-K424 HydrophobicContact CD1-CG 4.48Å; F420-K424 HydrophobicContact CE1-CG 4.16Å; F420-K424 VanDerWaalsContact CZ-CE 3.49Å; F420-K424 HydrophobicContact CZ-CG 4.26Å; F420-K424 WeakPolarHBondContact O-CG 3.46Å; F420-K424 PolarHBondContact O-N 3.26Å; F420-F455 HydrophobicContact CE1-CZ 4.47Å
421	I	86	Confident	83	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-63.8	-41.2	176	-69.3	160.8	0	0	0	110.8	L390 A417 L418 K424 V426 L428 M447 I451	L390-I421 HydrophobicContact CD1-CD1 3.89Å; L390-I421 HydrophobicContact CD1-CG1 3.82Å; L390-I421 HydrophobicContact CD2-CD1 4.07Å; L390-I421 HydrophobicContact CD2-CG1 3.71Å; L390-I421 HydrophobicContact CG-CG1 4.43Å; A417-I421 WeakPolarHBondContact O-CD1 3.32Å; A417-I421 VanDerWaalsContact O-CG1 3.24Å; A417-I421 WeakPolarHBondContact O-CG1 3.45Å; A417-I421 PolarHBondContact O-N 2.94Å; L418-I421 HydrophobicContact CD2-CD1 4.32Å; L418-I421 PolarHBondContact O-N 3.16Å; I421-K424 PolarHBondContact O-N 3Å; I421-V426 HydrophobicContact CG2-CB 3.56Å; I421-V426 HydrophobicContact CG2-CG1 3.79Å; I421-V426 HydrophobicContact CG2-CG2 3.85Å; I421-V426 WeakPolarHBondContact O-CB 3.44Å; I421-V426 PolarHBondContact O-N 3.3Å; I421-L428 HydrophobicContact CB-CD1 4.32Å; I421-L428 HydrophobicContact CG2-CD1 4.05Å; I421-L428 HydrophobicContact CG2-CD2 3.99Å; I421-L428 HydrophobicContact CG2-CG 4.17Å; I421-M447 HydrophobicContact CD1-CG 4.47Å; I421-I451 HydrophobicContact CD1-CD1 3.67Å; I421-I451 HydrophobicContact CD1-CG1 3.87Å; I421-I451 HydrophobicContact CG1-CD1 4.45Å; I421-I451 HydrophobicContact CG1-CG1 4.2Å
422	A	83.1	Confident	82.7	Confident	51 Å²	51	48.9 Å²	48.9	42%	0.421	29%	0.29	S	S	.	.	H	α-helix	trans	-65.7	-42.2	177.4	0	0	0	0	0	112.2	L418 D419 F420 K424 G425 L428	L418-A422 WeakPolarHBondContact O-CB 3.41Å; L418-A422 PolarHBondContact O-N 3.47Å; D419-A422 PolarHBondContact O-N 3.47Å; F420-A422 VanDerWaalsContact C-N 3.33Å; F420-A422 PolarHBondContact O-N 2.91Å; A422-K424 PolarHBondContact O-N 3.22Å; A422-G425 PolarHBondContact O-N 3.47Å; A422-L428 HydrophobicContact CB-CD1 4.42Å
423	S	83.4	Confident	82.6	Confident	90 Å²	90	47.6 Å²	47.6	63%	0.629	28%	0.281	S	S	*	.	H	α-helix	trans	-63.8	-29	177.6	75.5	0	0	0	0	112.7	D419 F420 G425	D419-S423 PolarHBondContact O-N 3.36Å; F420-S423 PolarHBondContact O-N 3.3Å; F420-S423 PolarHBondContact O-OG 3.33Å; S423-G425 PolarHBondContact O-N 2.92Å
424	K	79.5	Confident	82.4	Confident	53 Å²	53	51.8 Å²	51.8	23%	0.23	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	10.3	173.8	-62.3	-67	-178.6	-174.7	0	113.4	E396 F420 I421 A422 R454 F455	E396-K424 IonicContact OE1-NZ 2.71Å; E396-K424 PolarHBondContact OE1-NZ 3.42Å; E396-K424 VanDerWaalsContact OE2-CE 3.3Å; E396-K424 WeakPolarHBondContact OE2-CE 3.33Å; E396-K424 IonicContact OE2-NZ 2.58Å; E396-K424 PolarHBondContact OE2-NZ 3.02Å; F420-K424 HydrophobicContact CD1-CG 4.48Å; F420-K424 HydrophobicContact CE1-CG 4.16Å; F420-K424 VanDerWaalsContact CZ-CE 3.49Å; F420-K424 HydrophobicContact CZ-CG 4.26Å; F420-K424 WeakPolarHBondContact O-CG 3.46Å; F420-K424 PolarHBondContact O-N 3.26Å; I421-K424 PolarHBondContact O-N 3Å; A422-K424 PolarHBondContact O-N 3.22Å; K424-R454 VanDerWaalsContact O-CZ 3.22Å; K424-R454 PolarHBondContact O-NE 2.78Å; K424-R454 PolarHBondContact O-NH2 2.7Å; K424-F455 HydrophobicContact CB-CZ 3.93Å; K424-F455 HydrophobicContact CG-CE1 4.45Å; K424-F455 HydrophobicContact CG-CZ 3.94Å
425	G	72.8	Confident	82.1	Confident	51 Å²	51	54.9 Å²	54.9	53%	0.526	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.7	15.4	170.5	0	0	0	0	0	115	A422 S423	A422-G425 PolarHBondContact O-N 3.47Å; S423-G425 PolarHBondContact O-N 2.92Å
426	V	78.3	Confident	82	Confident	15 Å²	15	51.9 Å²	51.9	9%	0.091	30%	0.299	C	S	.	.			trans	-87.9	121.2	177.7	-177.6	0	0	0	0	110.5	I421 L428 T450 R454	I421-V426 HydrophobicContact CG2-CB 3.56Å; I421-V426 HydrophobicContact CG2-CG1 3.79Å; I421-V426 HydrophobicContact CG2-CG2 3.85Å; I421-V426 WeakPolarHBondContact O-CB 3.44Å; I421-V426 PolarHBondContact O-N 3.3Å; V426-L428 HydrophobicContact CG1-CD2 4.25Å; V426-L428 HydrophobicContact CG1-CG 4.47Å; V426-L428 PolarHBondContact O-N 3.18Å; V426-L428 VanDerWaalsContact O-N 3.1Å; V426-T450 HydrophobicContact CG1-CG2 4.39Å; V426-R454 HydrophobicContact CG2-CB 3.56Å; V426-R454 HydrophobicContact CG2-CG 3.55Å
427	K	73.4	Confident	81.9	Confident	183 Å²	183	49.6 Å²	49.6	80%	0.796	29%	0.29	S	S	*	.			trans	-76.2	96.9	173.4	-70.3	-174.1	179.8	179.2	0	110.8	V429	K427-V429 VanDerWaalsContact C-N 3.34Å; K427-V429 HydrophobicContact CB-CG2 4.37Å; K427-V429 PolarHBondContact O-N 3.04Å
428	L	76.4	Confident	81.6	Confident	41 Å²	41	53.6 Å²	53.6	22%	0.215	31%	0.311	C	S	.	.			trans	-79.2	78.5	173.6	-65.1	169.7	0	0	0	110.4	L418 I421 A422 V426 I431	L418-L428 HydrophobicContact CB-CD1 4.08Å; L418-L428 HydrophobicContact CD2-CD1 3.92Å; L418-L428 HydrophobicContact CD2-CD2 4.46Å; I421-L428 HydrophobicContact CB-CD1 4.32Å; I421-L428 HydrophobicContact CG2-CD1 4.05Å; I421-L428 HydrophobicContact CG2-CD2 3.99Å; I421-L428 HydrophobicContact CG2-CG 4.17Å; A422-L428 HydrophobicContact CB-CD1 4.42Å; V426-L428 HydrophobicContact CG1-CD2 4.25Å; V426-L428 HydrophobicContact CG1-CG 4.47Å; V426-L428 PolarHBondContact O-N 3.18Å; V426-L428 VanDerWaalsContact O-N 3.1Å; L428-I431 HydrophobicContact CD2-CD1 4.37Å
429	V	67.6	Low	81.1	Confident	111 Å²	111	54.2 Å²	54.2	67%	0.673	32%	0.32	S	S	*	.			trans	-83.8	119.8	176.3	-175.4	0	0	0	0	109.1	K427 I431	K427-V429 VanDerWaalsContact C-N 3.34Å; K427-V429 HydrophobicContact CB-CG2 4.37Å; K427-V429 PolarHBondContact O-N 3.04Å; V429-I431 PolarHBondContact O-N 3.33Å
430	S	74.5	Confident	80.8	Confident	96 Å²	96	51.7 Å²	51.7	67%	0.671	31%	0.306	S	S	*	.	S	Bend	trans	68	21.1	176.4	-50.1	0	0	0	0	116.3	M443	S430-M443 WeakPolarHBondContact O-CE 3.34Å
431	I	81.7	Confident	80	Confident	26 Å²	26	51.5 Å²	51.5	13%	0.133	31%	0.31	C	S	.	.			trans	-114.9	113.5	174.1	-58.9	170.6	0	0	0	109.1	L428 V429 I436 M443 M447	L428-I431 HydrophobicContact CD2-CD1 4.37Å; V429-I431 PolarHBondContact O-N 3.33Å; I431-I436 HydrophobicContact CG2-CD1 4.21Å; I431-M443 HydrophobicContact CG1-SD 4.32Å; I431-M447 HydrophobicContact CD1-CB 4.2Å; I431-M447 HydrophobicContact CG2-CB 4.35Å
432	G	82.4	Confident	79.3	Confident	17 Å²	17	58.4 Å²	58.4	18%	0.175	34%	0.34	C	S	.	.			trans	-108.6	159.8	174.5	0	0	0	0	0	112.6	E434 E435	G432-E434 VanDerWaalsContact C-N 3.27Å; G432-E434 WeakPolarHBondContact CA-OE1 3.49Å; G432-E434 PolarHBondContact O-N 3.32Å; G432-E435 WeakPolarHBondContact O-CB 3.33Å; G432-E435 PolarHBondContact O-N 3Å
433	A	85.8	Confident	79.2	Confident	1 Å²	1	58.2 Å²	58.2	1%	0.008	33%	0.331	C	S	.	.	H	α-helix	trans	-65.5	-31.5	-178.3	0	0	0	0	0	113	I411 V414 N415 L418 E435 I436 V437	I411-A433 HydrophobicContact CG2-CB 4.24Å; V414-A433 HydrophobicContact CB-CB 4.02Å; V414-A433 HydrophobicContact CG1-CB 3.63Å; N415-A433 WeakPolarHBondContact OD1-CB 3.38Å; L418-A433 HydrophobicContact CD1-CB 3.95Å; A433-E435 VanDerWaalsContact C-N 3.31Å; A433-E435 PolarHBondContact O-N 2.93Å; A433-I436 PolarHBondContact O-N 3.24Å; A433-V437 WeakPolarHBondContact O-CG2 3.43Å; A433-V437 PolarHBondContact O-N 3.24Å
434	E	85.3	Confident	79.1	Confident	91 Å²	91	54 Å²	54	43%	0.425	30%	0.301	S	S	.	.	H	α-helix	trans	-58.9	-40.4	174.6	62.1	-73.1	171.7	0	0	112.4	G432 I436 V437 D438	G432-E434 VanDerWaalsContact C-N 3.27Å; G432-E434 WeakPolarHBondContact CA-OE1 3.49Å; G432-E434 PolarHBondContact O-N 3.32Å; E434-I436 VanDerWaalsContact C-N 3.29Å; E434-I436 PolarHBondContact O-N 2.89Å; E434-V437 PolarHBondContact O-N 3.02Å; E434-D438 WeakPolarHBondContact O-CB 3.49Å; E434-D438 PolarHBondContact O-N 2.9Å
435	E	84.6	Confident	79	Confident	65 Å²	65	52.7 Å²	52.7	30%	0.304	30%	0.297	S	S	.	.	H	α-helix	trans	-65	-35.2	-179.6	-64.4	-64.8	147.8	0	0	111.9	G432 A433 G439 N440 M443	G432-E435 WeakPolarHBondContact O-CB 3.33Å; G432-E435 PolarHBondContact O-N 3Å; A433-E435 VanDerWaalsContact C-N 3.31Å; A433-E435 PolarHBondContact O-N 2.93Å; E435-G439 PolarHBondContact O-N 2.87Å; E435-N440 HydrophobicContact CB-CB 4.25Å; E435-N440 VanDerWaalsContact O-CB 3.25Å; E435-N440 WeakPolarHBondContact O-CB 3.37Å; E435-N440 PolarHBondContact O-N 3.5Å; E435-N440 PolarHBondContact OE2-ND2 3.4Å; E435-M443 HydrophobicContact CB-CB 3.98Å; E435-M443 HydrophobicContact CB-CG 3.97Å; E435-M443 HydrophobicContact CG-CG 4.22Å
436	I	86.2	Confident	79.3	Confident	1 Å²	1	51.6 Å²	51.6	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-77	-44.8	179.1	-51.4	-57.8	0	0	0	110.6	V414 I431 A433 E434 D438 G439 M443 M447	V414-I436 HydrophobicContact CG1-CB 3.96Å; V414-I436 HydrophobicContact CG1-CG1 4.19Å; V414-I436 HydrophobicContact CG1-CG2 4.23Å; V414-I436 HydrophobicContact CG2-CG2 4.33Å; I431-I436 HydrophobicContact CG2-CD1 4.21Å; A433-I436 PolarHBondContact O-N 3.24Å; E434-I436 VanDerWaalsContact C-N 3.29Å; E434-I436 PolarHBondContact O-N 2.89Å; I436-D438 VanDerWaalsContact C-N 3.28Å; I436-D438 PolarHBondContact O-N 2.82Å; I436-G439 PolarHBondContact O-N 3.42Å; I436-M443 HydrophobicContact CD1-CB 4.3Å; I436-M447 HydrophobicContact CD1-CB 4.43Å; I436-M447 HydrophobicContact CD1-CE 4.36Å; I436-M447 HydrophobicContact CD1-SD 4.03Å; I436-M447 HydrophobicContact CG1-SD 4.14Å
437	V	87.8	Confident	79.7	Confident	5 Å²	5	50.9 Å²	50.9	3%	0.03	28%	0.281	C	S	.	.	H	α-helix	trans	-66.1	-33.1	178.7	176.1	0	0	0	0	111.5	R381 R407 K410 I411 V414 A433 E434 G439	R381-V437 VanDerWaalsContact CZ-O 3.32Å; R381-V437 PolarHBondContact NE-O 3.34Å; R381-V437 PolarHBondContact NH2-O 3.26Å; R407-V437 HydrophobicContact CG-CG1 4.01Å; K410-V437 HydrophobicContact CB-CG1 3.86Å; K410-V437 HydrophobicContact CB-CG2 4.01Å; K410-V437 HydrophobicContact CD-CG1 4.3Å; I411-V437 HydrophobicContact CG1-CB 4.16Å; I411-V437 HydrophobicContact CG1-CG1 4.23Å; I411-V437 HydrophobicContact CG1-CG2 3.81Å; V414-V437 HydrophobicContact CB-CG2 4.25Å; V414-V437 HydrophobicContact CG2-CG2 3.76Å; A433-V437 WeakPolarHBondContact O-CG2 3.43Å; A433-V437 PolarHBondContact O-N 3.24Å; E434-V437 PolarHBondContact O-N 3.02Å; V437-G439 VanDerWaalsContact C-N 3.3Å
438	D	82.5	Confident	80.2	Confident	84 Å²	84	42.2 Å²	42.2	45%	0.449	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-7.3	178.7	-64.6	-19.1	0	0	0	113	R407 E434 I436	R407-D438 IonicContact CZ-OD1 3.74Å; R407-D438 IonicContact CZ-OD2 3.78Å; R407-D438 IonicContact NE-OD1 3.82Å; R407-D438 PolarHBondContact NE-OD1 3.21Å; R407-D438 VanDerWaalsContact NH2-CG 3.27Å; R407-D438 IonicContact NH2-OD1 3.21Å; R407-D438 PolarHBondContact NH2-OD1 3.26Å; R407-D438 IonicContact NH2-OD2 2.86Å; R407-D438 PolarHBondContact NH2-OD2 3.27Å; E434-D438 WeakPolarHBondContact O-CB 3.49Å; E434-D438 PolarHBondContact O-N 2.9Å; I436-D438 VanDerWaalsContact C-N 3.28Å; I436-D438 PolarHBondContact O-N 2.82Å
439	G	77.5	Confident	80.5	Confident	23 Å²	23	41.8 Å²	41.8	24%	0.237	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.9	34.1	171.1	0	0	0	0	0	114.1	E435 I436 V437 A441	E435-G439 PolarHBondContact O-N 2.87Å; I436-G439 PolarHBondContact O-N 3.42Å; V437-G439 VanDerWaalsContact C-N 3.3Å; G439-A441 PolarHBondContact O-N 2.97Å; G439-A441 VanDerWaalsContact O-N 3.09Å
440	N	79.9	Confident	81.2	Confident	55 Å²	55	38 Å²	38	29%	0.294	22%	0.216	S	C	.	.			trans	-71.8	102.7	174.3	-172.7	-28.3	0	0	0	110.2	E435 K442 M443 T444	E435-N440 HydrophobicContact CB-CB 4.25Å; E435-N440 VanDerWaalsContact O-CB 3.25Å; E435-N440 WeakPolarHBondContact O-CB 3.37Å; E435-N440 PolarHBondContact O-N 3.5Å; E435-N440 PolarHBondContact OE2-ND2 3.4Å; N440-K442 VanDerWaalsContact C-N 3.28Å; N440-K442 PolarHBondContact O-N 3.01Å; N440-K442 PolarHBondContact OD1-N 3.48Å; N440-K442 VanDerWaalsContact OD1-N 3.14Å; N440-M443 HydrophobicContact CB-CB 4.14Å; N440-M443 HydrophobicContact CB-CG 4.16Å; N440-M443 WeakPolarHBondContact ND2-CG 3.47Å; N440-M443 PolarHBondContact O-N 2.88Å; N440-M443 PolarHBondContact OD1-N 3.21Å; N440-T444 WeakPolarHBondContact O-CB 3.26Å; N440-T444 PolarHBondContact O-N 2.87Å; N440-T444 PolarHBondContact O-OG1 2.99Å
441	A	70.8	Confident	81.6	Confident	23 Å²	23	33.4 Å²	33.4	19%	0.19	18%	0.184	C	C	.	.	H	α-helix	trans	-54.6	-40.8	-178	0	0	0	0	0	113	E377 G439 T444 L445	E377-A441 HydrophobicContact CG-CB 4Å; E377-A441 WeakPolarHBondContact OE1-CB 3.45Å; G439-A441 PolarHBondContact O-N 2.97Å; G439-A441 VanDerWaalsContact O-N 3.09Å; A441-T444 PolarHBondContact O-N 3.39Å; A441-L445 WeakPolarHBondContact O-CB 3.35Å; A441-L445 WeakPolarHBondContact O-CG 3.42Å; A441-L445 PolarHBondContact O-N 2.92Å
442	K	72.4	Confident	81.7	Confident	144 Å²	144	32.1 Å²	32.1	63%	0.626	18%	0.177	S	C	*	.	H	α-helix	trans	-67.4	-42.5	-178.4	-173.6	179.6	179	-178.3	0	111.7	N440 G446	N440-K442 VanDerWaalsContact C-N 3.28Å; N440-K442 PolarHBondContact O-N 3.01Å; N440-K442 PolarHBondContact OD1-N 3.48Å; N440-K442 VanDerWaalsContact OD1-N 3.14Å; K442-G446 PolarHBondContact O-N 3.37Å
443	M	80.3	Confident	81.6	Confident	48 Å²	48	34.2 Å²	34.2	24%	0.236	18%	0.184	C	C	.	.	H	α-helix	trans	-72.1	-37.7	178.5	-61.9	-56.1	-149.4	0	0	111.6	S430 I431 E435 I436 N440 G446 M447	S430-M443 WeakPolarHBondContact O-CE 3.34Å; I431-M443 HydrophobicContact CG1-SD 4.32Å; E435-M443 HydrophobicContact CB-CB 3.98Å; E435-M443 HydrophobicContact CB-CG 3.97Å; E435-M443 HydrophobicContact CG-CG 4.22Å; I436-M443 HydrophobicContact CD1-CB 4.3Å; N440-M443 HydrophobicContact CB-CB 4.14Å; N440-M443 HydrophobicContact CB-CG 4.16Å; N440-M443 WeakPolarHBondContact ND2-CG 3.47Å; N440-M443 PolarHBondContact O-N 2.88Å; N440-M443 PolarHBondContact OD1-N 3.21Å; M443-G446 PolarHBondContact O-N 3.39Å; M443-M447 WeakPolarHBondContact O-CB 3.47Å; M443-M447 PolarHBondContact O-N 3.46Å
444	T	81.2	Confident	81.4	Confident	1 Å²	1	37.4 Å²	37.4	1%	0.006	20%	0.196	C	C	.	.	H	α-helix	trans	-64	-47.4	176.7	-53.4	0	0	0	0	111.2	F380 N440 A441 G446 M447 I448	F380-T444 HydrophobicContact CD2-CG2 4.31Å; N440-T444 WeakPolarHBondContact O-CB 3.26Å; N440-T444 PolarHBondContact O-N 2.87Å; N440-T444 PolarHBondContact O-OG1 2.99Å; A441-T444 PolarHBondContact O-N 3.39Å; T444-G446 VanDerWaalsContact C-N 3.33Å; T444-G446 PolarHBondContact O-N 3.43Å; T444-M447 PolarHBondContact O-N 3.06Å; T444-I448 WeakPolarHBondContact O-CG1 3.46Å; T444-I448 PolarHBondContact O-N 2.91Å
445	L	78	Confident	81.1	Confident	26 Å²	26	35.2 Å²	35.2	14%	0.136	19%	0.185	C	C	.	.	H	α-helix	trans	-66.9	-34.9	174.8	-65.8	171.8	0	0	0	112.2	V354 I355 F358 I376 A441 I448 W449	V354-L445 HydrophobicContact CG1-CD1 4.27Å; V354-L445 HydrophobicContact CG1-CD2 4.4Å; I355-L445 HydrophobicContact CG1-CD1 3.92Å; I355-L445 HydrophobicContact CG1-CD2 4.35Å; F358-L445 HydrophobicContact CB-CD2 4.48Å; F358-L445 HydrophobicContact CD2-CB 4.47Å; F358-L445 HydrophobicContact CD2-CD2 3.8Å; I376-L445 HydrophobicContact CD1-CD2 4.28Å; I376-L445 HydrophobicContact CG2-CD2 4.26Å; A441-L445 WeakPolarHBondContact O-CB 3.35Å; A441-L445 WeakPolarHBondContact O-CG 3.42Å; A441-L445 PolarHBondContact O-N 2.92Å; L445-I448 PolarHBondContact O-N 3.38Å; L445-W449 WeakPolarHBondContact O-CB 3.19Å; L445-W449 PolarHBondContact O-N 3.36Å
446	G	78.8	Confident	80.7	Confident	28 Å²	28	32.5 Å²	32.5	29%	0.289	17%	0.174	S	C	.	.	H	α-helix	trans	-60.9	-45.2	173.8	0	0	0	0	0	112.6	K442 M443 T444 W449 T450	K442-G446 PolarHBondContact O-N 3.37Å; M443-G446 PolarHBondContact O-N 3.39Å; T444-G446 VanDerWaalsContact C-N 3.33Å; T444-G446 PolarHBondContact O-N 3.43Å; G446-W449 PolarHBondContact O-N 3.35Å; G446-T450 PolarHBondContact O-N 2.81Å; G446-T450 VanDerWaalsContact O-N 3.08Å; G446-T450 PolarHBondContact O-OG1 3.13Å
447	M	86.1	Confident	80.2	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-64.6	-45.5	175.9	-179.4	-166.9	69.3	0	0	111.9	L386 L418 I421 I431 I436 M443 T444 W449 T450 I451	L386-M447 HydrophobicContact CD1-CE 3.6Å; L386-M447 HydrophobicContact CD1-SD 4.37Å; L386-M447 HydrophobicContact CD2-CE 3.67Å; L386-M447 HydrophobicContact CD2-SD 3.78Å; L386-M447 HydrophobicContact CG-CE 4.28Å; L418-M447 HydrophobicContact CD2-CG 4.26Å; L418-M447 HydrophobicContact CD2-SD 3.81Å; I421-M447 HydrophobicContact CD1-CG 4.47Å; I431-M447 HydrophobicContact CD1-CB 4.2Å; I431-M447 HydrophobicContact CG2-CB 4.35Å; I436-M447 HydrophobicContact CD1-CB 4.43Å; I436-M447 HydrophobicContact CD1-CE 4.36Å; I436-M447 HydrophobicContact CD1-SD 4.03Å; I436-M447 HydrophobicContact CG1-SD 4.14Å; M443-M447 WeakPolarHBondContact O-CB 3.47Å; M443-M447 PolarHBondContact O-N 3.46Å; T444-M447 PolarHBondContact O-N 3.06Å; M447-W449 VanDerWaalsContact C-N 3.29Å; M447-W449 PolarHBondContact O-N 3.21Å; M447-T450 PolarHBondContact O-N 2.85Å; M447-T450 PolarHBondContact O-OG1 3.19Å; M447-I451 HydrophobicContact CG-CD1 4.05Å; M447-I451 VanDerWaalsContact O-CG1 3.31Å; M447-I451 WeakPolarHBondContact O-CG1 3.49Å; M447-I451 PolarHBondContact O-N 3.42Å
448	I	84.1	Confident	79.5	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-64.4	-37.5	178.4	-64.4	-66.1	0	0	0	110.9	F358 I376 F380 L386 L389 T444 L445 I451 I452	F358-I448 HydrophobicContact CB-CG2 4.05Å; F358-I448 HydrophobicContact CD2-CB 4.31Å; F358-I448 HydrophobicContact CD2-CG2 3.97Å; F358-I448 HydrophobicContact CG-CG2 4.12Å; I376-I448 HydrophobicContact CD1-CG1 4.21Å; F380-I448 HydrophobicContact CD2-CD1 4.06Å; F380-I448 HydrophobicContact CD2-CG1 4.42Å; F380-I448 HydrophobicContact CE2-CD1 3.45Å; F380-I448 VanDerWaalsContact CE2-CD1 3.45Å; F380-I448 HydrophobicContact CE2-CG1 4.03Å; F380-I448 HydrophobicContact CZ-CD1 4.03Å; L386-I448 HydrophobicContact CD1-CD1 4.35Å; L389-I448 HydrophobicContact CD2-CD1 4.36Å; T444-I448 WeakPolarHBondContact O-CG1 3.46Å; T444-I448 PolarHBondContact O-N 2.91Å; L445-I448 PolarHBondContact O-N 3.38Å; I448-I451 HydrophobicContact CD1-CD1 4.19Å; I448-I451 PolarHBondContact O-N 3.02Å; I448-I452 HydrophobicContact CG2-CD1 3.84Å; I448-I452 HydrophobicContact CG2-CG1 4.38Å; I448-I452 VanDerWaalsContact O-CG1 3.3Å; I448-I452 WeakPolarHBondContact O-CG1 3.43Å; I448-I452 PolarHBondContact O-N 3.42Å
449	W	83.9	Confident	78.8	Confident	32 Å²	32	37.8 Å²	37.8	12%	0.121	20%	0.199	C	C	.	.	H	α-helix	trans	-62.3	-42.6	173	172.9	-107.8	0	0	0	112.9	F358 L445 G446 M447 I451 I452 L453 I457 K557 M560	F358-W449 HydrophobicContact CE1-CE3 4.2Å; F358-W449 HydrophobicContact CE2-CB 3.93Å; F358-W449 HydrophobicContact CZ-CB 4.01Å; F358-W449 HydrophobicContact CZ-CD2 4.41Å; F358-W449 AromaticContact CZ-CE3 3.77Å; F358-W449 HydrophobicContact CZ-CE3 3.77Å; L445-W449 WeakPolarHBondContact O-CB 3.19Å; L445-W449 PolarHBondContact O-N 3.36Å; G446-W449 PolarHBondContact O-N 3.35Å; M447-W449 VanDerWaalsContact C-N 3.29Å; M447-W449 PolarHBondContact O-N 3.21Å; W449-I451 VanDerWaalsContact C-N 3.29Å; W449-I451 PolarHBondContact O-N 3.47Å; W449-I452 PolarHBondContact O-N 3.32Å; W449-L453 HydrophobicContact CZ2-CD1 4.31Å; W449-L453 VanDerWaalsContact O-CB 3.25Å; W449-L453 WeakPolarHBondContact O-CB 3.43Å; W449-L453 PolarHBondContact O-N 2.8Å; W449-I457 HydrophobicContact CH2-CD1 4.35Å; W449-K557 HydrophobicContact CD2-CB 4.47Å; W449-K557 HydrophobicContact CD2-CD 3.67Å; W449-K557 HydrophobicContact CD2-CG 4.19Å; W449-K557 HydrophobicContact CE3-CB 3.88Å; W449-K557 HydrophobicContact CE3-CD 3.92Å; W449-K557 HydrophobicContact CE3-CG 4.08Å; W449-K557 HydrophobicContact CG-CD 4.16Å; W449-K557 HydrophobicContact CH2-CB 3.81Å; W449-K557 HydrophobicContact CH2-CD 4.23Å; W449-K557 HydrophobicContact CH2-CG 3.66Å; W449-K557 HydrophobicContact CZ2-CB 4.41Å; W449-K557 HydrophobicContact CZ2-CD 4.01Å; W449-K557 HydrophobicContact CZ2-CG 3.79Å; W449-K557 HydrophobicContact CZ3-CB 3.52Å; W449-K557 HydrophobicContact CZ3-CD 4.19Å; W449-K557 HydrophobicContact CZ3-CG 3.82Å; W449-M560 HydrophobicContact CH2-CE 4.47Å
450	T	81.9	Confident	78.3	Confident	31 Å²	31	36.8 Å²	36.8	19%	0.19	19%	0.188	C	C	.	.	H	α-helix	trans	-67.8	-32.2	178.3	53.9	0	0	0	0	112.1	V426 G446 M447 R454	V426-T450 HydrophobicContact CG1-CG2 4.39Å; G446-T450 PolarHBondContact O-N 2.81Å; G446-T450 VanDerWaalsContact O-N 3.08Å; G446-T450 PolarHBondContact O-OG1 3.13Å; M447-T450 PolarHBondContact O-N 2.85Å; M447-T450 PolarHBondContact O-OG1 3.19Å; T450-R454 WeakPolarHBondContact O-CB 3.07Å; T450-R454 PolarHBondContact O-N 2.81Å
451	I	83.7	Confident	77.4	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-65	-51	171.2	-67.3	162.6	0	0	0	110.7	W361 L386 L390 I393 I421 M447 I448 W449 L453 R454 F455	W361-I451 HydrophobicContact CH2-CG2 4.16Å; W361-I451 HydrophobicContact CZ3-CG2 4.42Å; L386-I451 HydrophobicContact CD1-CD1 4.09Å; L390-I451 HydrophobicContact CD2-CD1 4.21Å; L390-I451 HydrophobicContact CD2-CG1 4.35Å; L390-I451 HydrophobicContact CD2-CG2 4.39Å; I393-I451 HydrophobicContact CD1-CG2 3.45Å; I393-I451 VanDerWaalsContact CD1-CG2 3.45Å; I421-I451 HydrophobicContact CD1-CD1 3.67Å; I421-I451 HydrophobicContact CD1-CG1 3.87Å; I421-I451 HydrophobicContact CG1-CD1 4.45Å; I421-I451 HydrophobicContact CG1-CG1 4.2Å; M447-I451 HydrophobicContact CG-CD1 4.05Å; M447-I451 VanDerWaalsContact O-CG1 3.31Å; M447-I451 WeakPolarHBondContact O-CG1 3.49Å; M447-I451 PolarHBondContact O-N 3.42Å; I448-I451 HydrophobicContact CD1-CD1 4.19Å; I448-I451 PolarHBondContact O-N 3.02Å; W449-I451 VanDerWaalsContact C-N 3.29Å; W449-I451 PolarHBondContact O-N 3.47Å; I451-L453 VanDerWaalsContact C-N 3.32Å; I451-L453 PolarHBondContact O-N 2.79Å; I451-R454 PolarHBondContact O-N 3.17Å; I451-F455 HydrophobicContact CG2-CD2 4Å; I451-F455 WeakPolarHBondContact O-CD2 3.35Å; I451-F455 PolarHBondContact O-N 2.85Å
452	I	83.5	Confident	76.8	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-59	-46.2	177.6	-68.5	167.5	0	0	0	110.5	F358 W361 I448 W449 R454 A456 I457 T561	F358-I452 HydrophobicContact CD1-CD1 3.82Å; F358-I452 HydrophobicContact CE1-CD1 4.01Å; F358-I452 HydrophobicContact CG-CD1 4.23Å; W361-I452 HydrophobicContact CD2-CD1 3.86Å; W361-I452 HydrophobicContact CD2-CG1 3.62Å; W361-I452 HydrophobicContact CE3-CD1 3.77Å; W361-I452 HydrophobicContact CE3-CG1 3.51Å; W361-I452 HydrophobicContact CG-CD1 4.2Å; W361-I452 HydrophobicContact CG-CG1 4.37Å; W361-I452 HydrophobicContact CH2-CG1 3.77Å; W361-I452 HydrophobicContact CZ2-CG1 3.87Å; W361-I452 HydrophobicContact CZ3-CD1 4.29Å; W361-I452 HydrophobicContact CZ3-CG1 3.58Å; I448-I452 HydrophobicContact CG2-CD1 3.84Å; I448-I452 HydrophobicContact CG2-CG1 4.38Å; I448-I452 VanDerWaalsContact O-CG1 3.3Å; I448-I452 WeakPolarHBondContact O-CG1 3.43Å; I448-I452 PolarHBondContact O-N 3.42Å; W449-I452 PolarHBondContact O-N 3.32Å; I452-R454 VanDerWaalsContact C-N 3.34Å; I452-R454 PolarHBondContact O-N 2.9Å; I452-A456 HydrophobicContact CG2-CB 4.39Å; I452-A456 WeakPolarHBondContact O-CA 3.15Å; I452-A456 VanDerWaalsContact O-CB 3.27Å; I452-A456 WeakPolarHBondContact O-CB 3.37Å; I452-A456 PolarHBondContact O-N 3.24Å; I452-I457 HydrophobicContact CG2-CD1 4.27Å; I452-I457 PolarHBondContact O-N 3.1Å; I452-T561 HydrophobicContact CD1-CG2 4.19Å; I452-T561 HydrophobicContact CG2-CG2 3.94Å
453	L	80.6	Confident	76	Confident	60 Å²	60	37.5 Å²	37.5	31%	0.314	20%	0.2	S	C	.	.	I	π-helix	trans	-58.1	-48.3	179.4	-177.4	64.6	0	0	0	110.5	W449 I451 I457 Q458	W449-L453 HydrophobicContact CZ2-CD1 4.31Å; W449-L453 VanDerWaalsContact O-CB 3.25Å; W449-L453 WeakPolarHBondContact O-CB 3.43Å; W449-L453 PolarHBondContact O-N 2.8Å; I451-L453 VanDerWaalsContact C-N 3.32Å; I451-L453 PolarHBondContact O-N 2.79Å; L453-I457 HydrophobicContact CD1-CB 4.26Å; L453-I457 HydrophobicContact CD1-CG2 4.3Å; L453-I457 CarbonylContact O-C 3.53Å; L453-I457 PolarHBondContact O-N 3.16Å; L453-Q458 VanDerWaalsContact O-CB 3.23Å; L453-Q458 WeakPolarHBondContact O-CB 3.47Å; L453-Q458 PolarHBondContact O-N 3.42Å
454	R	81.6	Confident	74.8	Confident	68 Å²	68	45 Å²	45	26%	0.257	23%	0.234	S	C	.	.	I	π-helix	trans	-68.1	-54.1	-178.2	179.2	56.6	169.3	151.1	-6.5	113	K424 V426 T450 I451 I452 Q458 D459	K424-R454 VanDerWaalsContact O-CZ 3.22Å; K424-R454 PolarHBondContact O-NE 2.78Å; K424-R454 PolarHBondContact O-NH2 2.7Å; V426-R454 HydrophobicContact CG2-CB 3.56Å; V426-R454 HydrophobicContact CG2-CG 3.55Å; T450-R454 WeakPolarHBondContact O-CB 3.07Å; T450-R454 PolarHBondContact O-N 2.81Å; I451-R454 PolarHBondContact O-N 3.17Å; I452-R454 VanDerWaalsContact C-N 3.34Å; I452-R454 PolarHBondContact O-N 2.9Å; R454-Q458 VanDerWaalsContact CD-OE1 3.31Å; R454-D459 IonicContact NH1-OD1 2.86Å; R454-D459 PolarHBondContact NH1-OD1 2.98Å
455	F	77.8	Confident	74	Confident	46 Å²	46	47.3 Å²	47.3	20%	0.202	25%	0.249	C	C	.	.	I	π-helix	trans	-88.9	-18.1	-167.7	-70.1	-85.7	0	0	0	113.9	I393 F420 K424 I451	I393-F455 HydrophobicContact CD1-CB 4.21Å; I393-F455 HydrophobicContact CD1-CD1 4.34Å; I393-F455 HydrophobicContact CD1-CD2 3.77Å; I393-F455 HydrophobicContact CD1-CE2 4.17Å; I393-F455 HydrophobicContact CD1-CG 3.85Å; I393-F455 HydrophobicContact CG1-CD1 4.28Å; I393-F455 HydrophobicContact CG1-CG 4.25Å; F420-F455 HydrophobicContact CE1-CZ 4.47Å; K424-F455 HydrophobicContact CB-CZ 3.93Å; K424-F455 HydrophobicContact CG-CE1 4.45Å; K424-F455 HydrophobicContact CG-CZ 3.94Å; I451-F455 HydrophobicContact CG2-CD2 4Å; I451-F455 WeakPolarHBondContact O-CD2 3.35Å; I451-F455 PolarHBondContact O-N 2.85Å
456	A	76.5	Confident	73.7	Confident	8 Å²	8	49.1 Å²	49.1	7%	0.066	26%	0.264	C	S	.	.	I	π-helix	trans	-117.8	-16.5	-178.3	0	0	0	0	0	114.2	W361 I452 H568	W361-A456 HydrophobicContact CZ2-CB 4.39Å; I452-A456 HydrophobicContact CG2-CB 4.39Å; I452-A456 WeakPolarHBondContact O-CA 3.15Å; I452-A456 VanDerWaalsContact O-CB 3.27Å; I452-A456 WeakPolarHBondContact O-CB 3.37Å; I452-A456 PolarHBondContact O-N 3.24Å; A456-H568 PolarHBondContact O-NE2 3.4Å
457	I	75.2	Confident	73.4	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.258	C	S	.	.	I	π-helix	trans	-125.1	-42.4	-174	-55.9	178.6	0	0	0	112	W449 I452 L453 D459 I460 A467 M560	W449-I457 HydrophobicContact CH2-CD1 4.35Å; I452-I457 HydrophobicContact CG2-CD1 4.27Å; I452-I457 PolarHBondContact O-N 3.1Å; L453-I457 HydrophobicContact CD1-CB 4.26Å; L453-I457 HydrophobicContact CD1-CG2 4.3Å; L453-I457 CarbonylContact O-C 3.53Å; L453-I457 PolarHBondContact O-N 3.16Å; I457-D459 VanDerWaalsContact C-N 3.28Å; I457-D459 PolarHBondContact O-N 3.34Å; I457-I460 VanDerWaalsContact O-CB 3.25Å; I457-I460 WeakPolarHBondContact O-CB 3Å; I457-I460 VanDerWaalsContact O-CG1 3.3Å; I457-I460 WeakPolarHBondContact O-CG1 3.5Å; I457-I460 PolarHBondContact O-N 2.8Å; I457-I460 VanDerWaalsContact O-N 3.08Å; I457-A467 WeakPolarHBondContact O-CB 3.18Å; I457-M560 HydrophobicContact CD1-CB 4.2Å; I457-M560 HydrophobicContact CD1-CE 4.11Å; I457-M560 HydrophobicContact CG2-CE 4.16Å
458	Q	73.8	Confident	73.1	Confident	93 Å²	93	53.2 Å²	53.2	44%	0.435	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-26.1	-169.2	-167.1	171.2	-11	0	0	113.9	L453 R454 I460 A467	L453-Q458 VanDerWaalsContact O-CB 3.23Å; L453-Q458 WeakPolarHBondContact O-CB 3.47Å; L453-Q458 PolarHBondContact O-N 3.42Å; R454-Q458 VanDerWaalsContact CD-OE1 3.31Å; Q458-I460 PolarHBondContact O-N 2.93Å; Q458-A467 VanDerWaalsContact CA-CB 3.48Å; Q458-A467 WeakPolarHBondContact O-CB 3.13Å
459	D	66.9	Low	72.9	Confident	107 Å²	107	58.5 Å²	58.5	57%	0.572	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	3.3	177.3	-57.5	-24.4	0	0	0	112.9	R454 I457 S461	R454-D459 IonicContact NH1-OD1 2.86Å; R454-D459 PolarHBondContact NH1-OD1 2.98Å; I457-D459 VanDerWaalsContact C-N 3.28Å; I457-D459 PolarHBondContact O-N 3.34Å; D459-S461 PolarHBondContact O-N 2.96Å
460	I	67.9	Low	72.8	Confident	2 Å²	2	57 Å²	57	1%	0.01	30%	0.296	C	S	.	.			trans	-85.7	95.9	175.4	-56.9	178.3	0	0	0	108.6	I457 Q458 V462 A467 L471 Y567	I457-I460 VanDerWaalsContact O-CB 3.25Å; I457-I460 WeakPolarHBondContact O-CB 3Å; I457-I460 VanDerWaalsContact O-CG1 3.3Å; I457-I460 WeakPolarHBondContact O-CG1 3.5Å; I457-I460 PolarHBondContact O-N 2.8Å; I457-I460 VanDerWaalsContact O-N 3.08Å; Q458-I460 PolarHBondContact O-N 2.93Å; I460-V462 HydrophobicContact CG2-CG2 4.46Å; I460-A467 VanDerWaalsContact O-CA 3.28Å; I460-A467 WeakPolarHBondContact O-CA 3.33Å; I460-A467 WeakPolarHBondContact O-CB 3.41Å; I460-L471 HydrophobicContact CD1-CD1 3.98Å; I460-L471 HydrophobicContact CD1-CD2 4.46Å; I460-L471 HydrophobicContact CG2-CB 4.35Å; I460-Y567 HydrophobicContact CB-CE1 4.26Å; I460-Y567 HydrophobicContact CD1-CD1 3.5Å; I460-Y567 VanDerWaalsContact CD1-CD1 3.5Å; I460-Y567 HydrophobicContact CD1-CE1 3.87Å; I460-Y567 HydrophobicContact CD1-CG 3.94Å; I460-Y567 HydrophobicContact CG1-CD1 3.8Å; I460-Y567 HydrophobicContact CG1-CE1 3.62Å; I460-Y567 HydrophobicContact CG2-CD1 4.37Å; I460-Y567 HydrophobicContact CG2-CD2 4.34Å; I460-Y567 HydrophobicContact CG2-CE1 3.88Å; I460-Y567 HydrophobicContact CG2-CE2 3.84Å
461	S	59.7	Low	72.9	Confident	95 Å²	95	55.5 Å²	55.5	66%	0.664	29%	0.287	S	S	*	.			trans	-103.7	124.4	171.6	60.6	0	0	0	0	110.8	D459	D459-S461 PolarHBondContact O-N 2.96Å
462	V	60.1	Low	73.1	Confident	26 Å²	26	57 Å²	57	16%	0.158	30%	0.295	C	S	.	.	S	Bend	trans	-131.8	113.1	171.8	-177.7	0	0	0	0	106.6	I460 E464 T465 L473 W474	I460-V462 HydrophobicContact CG2-CG2 4.46Å; V462-E464 PolarHBondContact O-N 3.47Å; V462-T465 PolarHBondContact O-N 3.44Å; V462-T465 PolarHBondContact O-OG1 3.48Å; V462-L473 HydrophobicContact CG1-CD2 4.15Å; V462-W474 HydrophobicContact CG2-CB 4.43Å
463	E	54.5	Low	73.1	Confident	117 Å²	117	58.9 Å²	58.9	55%	0.547	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	47.6	178.4	-60	-177.3	165.2	0	0	113.9	T465 R477	E463-T465 PolarHBondContact O-N 3.31Å; E463-R477 IonicContact OE1-CZ 3.76Å; E463-R477 IonicContact OE1-NH1 2.84Å; E463-R477 PolarHBondContact OE1-NH1 2.92Å; E463-R477 IonicContact OE1-NH2 2.59Å; E463-R477 PolarHBondContact OE1-NH2 3.06Å; E463-R477 IonicContact OE2-CZ 3.71Å; E463-R477 IonicContact OE2-NH1 3.21Å; E463-R477 IonicContact OE2-NH2 3.48Å; E463-R477 PolarHBondContact OE2-NH2 3.3Å
464	E	55.5	Low	73.3	Confident	204 Å²	204	56.7 Å²	56.7	95%	0.953	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	12	174.8	-58.7	-179.2	172.2	0	0	115.8	V462	V462-E464 PolarHBondContact O-N 3.47Å
465	T	63.8	Low	73.6	Confident	50 Å²	50	53.4 Å²	53.4	31%	0.307	28%	0.28	S	S	.	.			trans	-82.9	158.6	176.8	59.4	0	0	0	0	112.5	V462 E463 G470	V462-T465 PolarHBondContact O-N 3.44Å; V462-T465 PolarHBondContact O-OG1 3.48Å; E463-T465 PolarHBondContact O-N 3.31Å; T465-G470 VanDerWaalsContact OG1-CA 3.27Å; T465-G470 WeakPolarHBondContact OG1-CA 3.29Å; T465-G470 PolarHBondContact OG1-N 3.03Å
466	S	72.1	Confident	74.1	Confident	65 Å²	65	54.7 Å²	54.7	46%	0.455	29%	0.287	S	S	.	.			trans	-59.2	147.4	176.4	73	0	0	0	0	110.5	K468 E469 G470	S466-K468 PolarHBondContact O-N 3.06Å; S466-E469 WeakPolarHBondContact CB-OE2 3.37Å; S466-E469 PolarHBondContact N-OE2 3.24Å; S466-E469 CarbonylContact O-C 3.57Å; S466-E469 WeakPolarHBondContact O-CA 3.42Å; S466-E469 WeakPolarHBondContact O-CB 2.96Å; S466-E469 PolarHBondContact O-N 3.22Å; S466-E469 WeakPolarHBondContact OG-CG 3.42Å; S466-E469 PolarHBondContact OG-OE2 2.98Å; S466-G470 PolarHBondContact O-N 2.83Å
467	A	71.8	Confident	74.4	Confident	20 Å²	20	60.7 Å²	60.7	17%	0.165	31%	0.308	C	S	.	.	H	α-helix	trans	-59.9	-27.8	-165.8	0	0	0	0	0	115.7	I457 Q458 I460 L471	I457-A467 WeakPolarHBondContact O-CB 3.18Å; Q458-A467 VanDerWaalsContact CA-CB 3.48Å; Q458-A467 WeakPolarHBondContact O-CB 3.13Å; I460-A467 VanDerWaalsContact O-CA 3.28Å; I460-A467 WeakPolarHBondContact O-CA 3.33Å; I460-A467 WeakPolarHBondContact O-CB 3.41Å; A467-L471 WeakPolarHBondContact O-CB 3.16Å; A467-L471 PolarHBondContact O-N 2.78Å
468	K	79.8	Confident	74.9	Confident	94 Å²	94	62.8 Å²	62.8	41%	0.409	32%	0.317	S	S	.	.	H	α-helix	trans	-67.5	-45	170.5	178.3	-178	179.4	-176.8	0	111.9	S466 L472 F490 E556 M560	S466-K468 PolarHBondContact O-N 3.06Å; K468-L472 WeakPolarHBondContact O-CB 3.5Å; K468-L472 PolarHBondContact O-N 3.43Å; K468-L472 VanDerWaalsContact O-N 3.08Å; K468-F490 HydrophobicContact CG-CE2 4.13Å; K468-F490 WeakPolarHBondContact O-CE2 3.23Å; K468-E556 WeakPolarHBondContact CE-OE1 3.48Å; K468-E556 IonicContact NZ-OE1 3.57Å; K468-E556 PolarHBondContact NZ-OE1 3.24Å; K468-E556 IonicContact NZ-OE2 2.65Å; K468-M560 HydrophobicContact CB-CE 4.1Å; K468-M560 HydrophobicContact CD-CE 4.25Å; K468-M560 HydrophobicContact CD-SD 4.31Å; K468-M560 HydrophobicContact CG-CE 3.77Å; K468-M560 HydrophobicContact CG-SD 4.21Å
469	E	80.1	Confident	75.6	Confident	110 Å²	110	58.5 Å²	58.5	51%	0.514	30%	0.297	S	S	.	.	H	α-helix	trans	-69.5	-39	178	-68.4	167	158.8	0	0	110.9	S466 L472 L473	S466-E469 WeakPolarHBondContact CB-OE2 3.37Å; S466-E469 PolarHBondContact N-OE2 3.24Å; S466-E469 CarbonylContact O-C 3.57Å; S466-E469 WeakPolarHBondContact O-CA 3.42Å; S466-E469 WeakPolarHBondContact O-CB 2.96Å; S466-E469 PolarHBondContact O-N 3.22Å; S466-E469 WeakPolarHBondContact OG-CG 3.42Å; S466-E469 PolarHBondContact OG-OE2 2.98Å; E469-L472 WeakPolarHBondContact O-CB 3.47Å; E469-L472 PolarHBondContact O-N 3.31Å; E469-L473 VanDerWaalsContact O-CB 3.29Å; E469-L473 WeakPolarHBondContact O-CB 3.25Å; E469-L473 PolarHBondContact O-N 3.48Å
470	G	81.6	Confident	76.5	Confident	0 Å²	0	57 Å²	57	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-61.9	-44.6	174.3	0	0	0	0	0	112.6	T465 S466 L472 L473 W474	T465-G470 VanDerWaalsContact OG1-CA 3.27Å; T465-G470 WeakPolarHBondContact OG1-CA 3.29Å; T465-G470 PolarHBondContact OG1-N 3.03Å; S466-G470 PolarHBondContact O-N 2.83Å; G470-L472 VanDerWaalsContact C-N 3.32Å; G470-L472 PolarHBondContact O-N 3.46Å; G470-L473 PolarHBondContact O-N 3.02Å; G470-W474 WeakPolarHBondContact O-CB 3.44Å; G470-W474 PolarHBondContact O-N 3.22Å
471	L	84.4	Confident	77.4	Confident	0 Å²	0	61 Å²	61	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-63.3	-37.7	173.7	-176.1	61.3	0	0	0	111.9	I460 A467 W474 C475 F490 V563 Y567	I460-L471 HydrophobicContact CD1-CD1 3.98Å; I460-L471 HydrophobicContact CD1-CD2 4.46Å; I460-L471 HydrophobicContact CG2-CB 4.35Å; A467-L471 WeakPolarHBondContact O-CB 3.16Å; A467-L471 PolarHBondContact O-N 2.78Å; L471-W474 HydrophobicContact CD1-CE3 4.27Å; L471-C475 PolarHBondContact O-N 2.96Å; L471-C475 VanDerWaalsContact O-N 3.14Å; L471-C475 PolarHBondContact O-SG 3.43Å; L471-F490 HydrophobicContact CB-CZ 3.95Å; L471-F490 HydrophobicContact CD2-CE1 4.08Å; L471-F490 HydrophobicContact CD2-CZ 3.88Å; L471-F490 HydrophobicContact CG-CE1 4.02Å; L471-F490 HydrophobicContact CG-CZ 3.68Å; L471-V563 HydrophobicContact CD1-CG1 4.35Å; L471-V563 HydrophobicContact CG-CG1 4.48Å; L471-Y567 HydrophobicContact CD1-CD2 3.99Å; L471-Y567 HydrophobicContact CD1-CG 3.97Å
472	L	87	Confident	78.7	Confident	33 Å²	33	58 Å²	58	17%	0.173	30%	0.3	C	S	.	.	H	α-helix	trans	-68.8	-44.8	178.6	-177	63.5	0	0	0	111.4	K468 E469 G470 W474 C475 Q476 I487 F490	K468-L472 WeakPolarHBondContact O-CB 3.5Å; K468-L472 PolarHBondContact O-N 3.43Å; K468-L472 VanDerWaalsContact O-N 3.08Å; E469-L472 WeakPolarHBondContact O-CB 3.47Å; E469-L472 PolarHBondContact O-N 3.31Å; G470-L472 VanDerWaalsContact C-N 3.32Å; G470-L472 PolarHBondContact O-N 3.46Å; L472-W474 VanDerWaalsContact C-N 3.32Å; L472-W474 PolarHBondContact O-N 3.5Å; L472-C475 WeakPolarHBondContact O-CB 3.39Å; L472-C475 PolarHBondContact O-N 3.41Å; L472-Q476 WeakPolarHBondContact O-CG 3.43Å; L472-Q476 PolarHBondContact O-N 3.42Å; L472-I487 HydrophobicContact CD1-CG2 3.82Å; L472-F490 HydrophobicContact CB-CE2 3.82Å; L472-F490 HydrophobicContact CB-CZ 3.85Å; L472-F490 HydrophobicContact CD1-CE2 4.19Å; L472-F490 HydrophobicContact CD1-CZ 4.22Å
473	L	83.6	Confident	79.7	Confident	39 Å²	39	66.5 Å²	66.5	20%	0.204	34%	0.335	C	S	.	.	H	α-helix	trans	-62	-40.7	177	-177.5	62.1	0	0	0	111.2	V462 E469 G470 Q476 R477	V462-L473 HydrophobicContact CG1-CD2 4.15Å; E469-L473 VanDerWaalsContact O-CB 3.29Å; E469-L473 WeakPolarHBondContact O-CB 3.25Å; E469-L473 PolarHBondContact O-N 3.48Å; G470-L473 PolarHBondContact O-N 3.02Å; L473-Q476 PolarHBondContact O-N 3.12Å; L473-R477 WeakPolarHBondContact O-CB 3.43Å; L473-R477 WeakPolarHBondContact O-CG 3.5Å; L473-R477 PolarHBondContact O-N 3.06Å
474	W	85.8	Confident	81.1	Confident	13 Å²	13	66.1 Å²	66.1	5%	0.049	34%	0.337	C	S	.	.	H	α-helix	trans	-58.4	-48.5	172.7	176.3	87.3	0	0	0	111.6	V462 G470 L471 L472 Q476 R477 K478 L503 H507 Y567 F570	V462-W474 HydrophobicContact CG2-CB 4.43Å; G470-W474 WeakPolarHBondContact O-CB 3.44Å; G470-W474 PolarHBondContact O-N 3.22Å; L471-W474 HydrophobicContact CD1-CE3 4.27Å; L472-W474 VanDerWaalsContact C-N 3.32Å; L472-W474 PolarHBondContact O-N 3.5Å; W474-Q476 PolarHBondContact O-N 3.21Å; W474-R477 PolarHBondContact O-N 2.88Å; W474-K478 HydrophobicContact CD2-CG 4.29Å; W474-K478 HydrophobicContact CG-CG 4.47Å; W474-K478 HydrophobicContact CZ2-CG 4.41Å; W474-K478 WeakPolarHBondContact O-CB 3.39Å; W474-K478 VanDerWaalsContact O-CG 3.27Å; W474-K478 WeakPolarHBondContact O-CG 3.38Å; W474-K478 PolarHBondContact O-N 3.33Å; W474-L503 HydrophobicContact CE3-CD2 4.27Å; W474-L503 HydrophobicContact CH2-CD2 3.66Å; W474-L503 HydrophobicContact CZ2-CD2 4.32Å; W474-L503 HydrophobicContact CZ3-CD1 4.35Å; W474-L503 HydrophobicContact CZ3-CD2 3.63Å; W474-H507 AromaticContact CZ2-CE1 3.59Å; W474-H507 AromaticContact CZ2-NE2 3.82Å; W474-Y567 HydrophobicContact CB-CE2 4.47Å; W474-Y567 AromaticContact CD1-CE2 3.8Å; W474-Y567 AromaticContact CD2-CD2 3.58Å; W474-Y567 HydrophobicContact CD2-CD2 3.58Å; W474-Y567 HydrophobicContact CD2-CE2 4.13Å; W474-Y567 AromaticContact CE2-CD2 3.68Å; W474-Y567 AromaticContact CE3-CD2 3.92Å; W474-Y567 HydrophobicContact CE3-CD2 3.92Å; W474-Y567 AromaticContact CG-CD2 3.84Å; W474-Y567 HydrophobicContact CG-CD2 3.84Å; W474-Y567 AromaticContact CG-CE2 3.91Å; W474-Y567 HydrophobicContact CG-CE2 3.91Å; W474-Y567 HydrophobicContact CH2-CD2 4.44Å; W474-Y567 HydrophobicContact CZ2-CD2 4.13Å; W474-Y567 HydrophobicContact CZ3-CD2 4.34Å; W474-Y567 AromaticContact NE1-CD2 3.92Å; W474-Y567 AromaticContact NE1-CE2 3.94Å; W474-F570 HydrophobicContact CH2-CD2 4.31Å; W474-F570 HydrophobicContact CZ2-CB 4.41Å
475	C	88	Confident	82.6	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-58.3	-50	177.1	-64.4	0	0	0	0	110.9	L471 L472 R477 K478 T479 I487 W494 V563	L471-C475 PolarHBondContact O-N 2.96Å; L471-C475 VanDerWaalsContact O-N 3.14Å; L471-C475 PolarHBondContact O-SG 3.43Å; L472-C475 WeakPolarHBondContact O-CB 3.39Å; L472-C475 PolarHBondContact O-N 3.41Å; C475-R477 PolarHBondContact O-N 2.95Å; C475-K478 PolarHBondContact O-N 2.83Å; C475-T479 WeakPolarHBondContact O-CG2 2.91Å; C475-T479 PolarHBondContact O-N 3.04Å; C475-T479 PolarHBondContact O-OG1 3.03Å; C475-I487 HydrophobicContact CB-CD1 3.94Å; C475-I487 HydrophobicContact CB-CG2 4.11Å; C475-W494 HydrophobicContact CB-CH2 4.27Å; C475-W494 HydrophobicContact CB-CZ2 3.98Å; C475-V563 VanDerWaalsContact SG-CG1 3.51Å
476	Q	87.7	Confident	83.7	Confident	72 Å²	72	59.8 Å²	59.8	34%	0.336	31%	0.308	S	S	.	.	H	α-helix	trans	-55.7	-48.4	179	-77	171.9	-9.5	0	0	112.7	L472 L473 W474 T479 A480 I487	L472-Q476 WeakPolarHBondContact O-CG 3.43Å; L472-Q476 PolarHBondContact O-N 3.42Å; L473-Q476 PolarHBondContact O-N 3.12Å; W474-Q476 PolarHBondContact O-N 3.21Å; Q476-T479 PolarHBondContact O-N 3.21Å; Q476-A480 WeakPolarHBondContact O-CA 3.48Å; Q476-A480 WeakPolarHBondContact O-CB 3.47Å; Q476-A480 PolarHBondContact O-N 2.65Å; Q476-I487 HydrophobicContact CG-CB 4.34Å; Q476-I487 WeakPolarHBondContact CG-O 3.4Å; Q476-I487 PolarHBondContact NE2-O 2.87Å
477	R	83.7	Confident	84.6	Confident	135 Å²	135	56.8 Å²	56.8	51%	0.509	29%	0.287	S	S	.	.	H	α-helix	trans	-64.6	-43.8	179.8	-78.1	-171.3	169.7	-177.6	1.2	112.4	E463 L473 W474 C475 T479 A480	E463-R477 IonicContact OE1-CZ 3.76Å; E463-R477 IonicContact OE1-NH1 2.84Å; E463-R477 PolarHBondContact OE1-NH1 2.92Å; E463-R477 IonicContact OE1-NH2 2.59Å; E463-R477 PolarHBondContact OE1-NH2 3.06Å; E463-R477 IonicContact OE2-CZ 3.71Å; E463-R477 IonicContact OE2-NH1 3.21Å; E463-R477 IonicContact OE2-NH2 3.48Å; E463-R477 PolarHBondContact OE2-NH2 3.3Å; L473-R477 WeakPolarHBondContact O-CB 3.43Å; L473-R477 WeakPolarHBondContact O-CG 3.5Å; L473-R477 PolarHBondContact O-N 3.06Å; W474-R477 PolarHBondContact O-N 2.88Å; C475-R477 PolarHBondContact O-N 2.95Å; R477-T479 VanDerWaalsContact C-N 3.31Å; R477-T479 PolarHBondContact O-N 2.84Å; R477-A480 PolarHBondContact O-N 3.4Å
478	K	85.8	Confident	85.3	Confident	44 Å²	44	61.8 Å²	61.8	19%	0.191	31%	0.306	C	S	.	.	H	α-helix	trans	-69.3	-32	-178.7	-65.3	-67.1	-174.6	165.6	0	111.5	W474 C475 L503 R506 H507	W474-K478 HydrophobicContact CD2-CG 4.29Å; W474-K478 HydrophobicContact CG-CG 4.47Å; W474-K478 HydrophobicContact CZ2-CG 4.41Å; W474-K478 WeakPolarHBondContact O-CB 3.39Å; W474-K478 VanDerWaalsContact O-CG 3.27Å; W474-K478 WeakPolarHBondContact O-CG 3.38Å; W474-K478 PolarHBondContact O-N 3.33Å; C475-K478 PolarHBondContact O-N 2.83Å; K478-L503 HydrophobicContact CB-CD2 3.73Å; K478-L503 HydrophobicContact CG-CD2 4.44Å; K478-R506 HydrophobicContact CB-CG 4.29Å; K478-R506 HydrophobicContact CD-CG 4.37Å; K478-R506 WeakPolarHBondContact O-CD 3.44Å; K478-R506 WeakPolarHBondContact O-CG 3.35Å; K478-H507 WeakPolarHBondContact CE-NE2 3.3Å; K478-H507 PolarHBondContact NZ-NE2 2.89Å
479	T	87.7	Confident	85.7	Confident	2 Å²	2	59 Å²	59	1%	0.012	30%	0.296	C	S	.	.	H	α-helix	trans	-92.3	-8	177.1	62.7	0	0	0	0	114.7	C475 Q476 R477 P481 Y482 V485 I487 A502 L503	C475-T479 WeakPolarHBondContact O-CG2 2.91Å; C475-T479 PolarHBondContact O-N 3.04Å; C475-T479 PolarHBondContact O-OG1 3.03Å; Q476-T479 PolarHBondContact O-N 3.21Å; R477-T479 VanDerWaalsContact C-N 3.31Å; R477-T479 PolarHBondContact O-N 2.84Å; T479-P481 VanDerWaalsContact C-N 3.31Å; T479-Y482 WeakPolarHBondContact O-CB 3.45Å; T479-Y482 PolarHBondContact O-N 2.72Å; T479-V485 HydrophobicContact CG2-CG1 4.07Å; T479-I487 HydrophobicContact CG2-CD1 3.72Å; T479-A502 HydrophobicContact CG2-CB 3.91Å; T479-L503 HydrophobicContact CG2-CD1 4.48Å; T479-L503 HydrophobicContact CG2-CD2 4.36Å; T479-L503 HydrophobicContact CG2-CG 3.83Å
480	A	87	Confident	85.9	Confident	76 Å²	76	53.8 Å²	53.8	63%	0.628	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-36.2	-178.8	0	0	0	0	0	115.2	Q476 R477 Y482	Q476-A480 WeakPolarHBondContact O-CA 3.48Å; Q476-A480 WeakPolarHBondContact O-CB 3.47Å; Q476-A480 PolarHBondContact O-N 2.65Å; R477-A480 PolarHBondContact O-N 3.4Å; A480-Y482 PolarHBondContact O-N 2.93Å
481	P	86.1	Confident	86	Confident	87 Å²	87	54.7 Å²	54.7	57%	0.565	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-17.2	176.1	-22.9	35.4	0	0	0	114.6	T479 K483	T479-P481 VanDerWaalsContact C-N 3.31Å; P481-K483 PolarHBondContact O-N 3.19Å
482	Y	87.6	Confident	86	Confident	32 Å²	32	59 Å²	59	13%	0.125	30%	0.298	C	S	.	.			trans	-94.7	99.1	-175.9	-60.1	-93.3	0	0	0	110.6	T479 A480 N484 V485 A502 H505 R506 Y514	T479-Y482 WeakPolarHBondContact O-CB 3.45Å; T479-Y482 PolarHBondContact O-N 2.72Å; A480-Y482 PolarHBondContact O-N 2.93Å; Y482-N484 PolarHBondContact O-N 3.31Å; Y482-V485 PolarHBondContact O-N 3.45Å; Y482-A502 HydrophobicContact CD1-CB 4.22Å; Y482-A502 HydrophobicContact CD2-CB 3.89Å; Y482-A502 HydrophobicContact CE1-CB 4.44Å; Y482-A502 HydrophobicContact CE2-CB 4.1Å; Y482-A502 HydrophobicContact CG-CB 3.93Å; Y482-H505 AromaticContact CE1-ND1 3.46Å; Y482-H505 WeakPolarHBondContact CE1-ND1 3.46Å; Y482-H505 AromaticContact CZ-ND1 3.53Å; Y482-H505 PolarHBondContact OH-ND1 2.97Å; Y482-R506 HydrophobicContact CE2-CB 4.1Å; Y482-R506 WeakPolarHBondContact OH-CA 3.32Å; Y482-R506 PolarHBondContact OH-N 3.24Å; Y482-Y514 AromaticContact CD1-CD1 3.85Å; Y482-Y514 HydrophobicContact CD1-CD1 3.85Å; Y482-Y514 HydrophobicContact CD1-CD2 4.24Å; Y482-Y514 AromaticContact CD1-CE1 3.51Å; Y482-Y514 HydrophobicContact CD1-CE1 3.51Å; Y482-Y514 AromaticContact CD1-CE2 3.94Å; Y482-Y514 HydrophobicContact CD1-CE2 3.94Å; Y482-Y514 HydrophobicContact CD1-CG 4.21Å; Y482-Y514 AromaticContact CD1-CZ 3.56Å; Y482-Y514 HydrophobicContact CE1-CD1 4Å; Y482-Y514 AromaticContact CE1-CD2 3.99Å; Y482-Y514 HydrophobicContact CE1-CD2 3.99Å; Y482-Y514 HydrophobicContact CE1-CE1 4.11Å; Y482-Y514 HydrophobicContact CE1-CE2 4.1Å; Y482-Y514 AromaticContact CE1-CG 3.95Å; Y482-Y514 HydrophobicContact CE1-CG 3.95Å; Y482-Y514 HydrophobicContact CG-CE1 4.49Å
483	K	80.4	Confident	86	Confident	203 Å²	203	58.2 Å²	58.2	88%	0.883	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-25.8	-176.3	-63.1	-175.3	179.5	-178.7	0	115.1	P481 V485	P481-K483 PolarHBondContact O-N 3.19Å; K483-V485 VanDerWaalsContact C-N 3.35Å
484	N	83.7	Confident	86.2	Confident	110 Å²	110	56.3 Å²	56.3	59%	0.588	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-0.5	-176.7	-59.9	-14.6	0	0	0	113.2	Y482 L498	Y482-N484 PolarHBondContact O-N 3.31Å; N484-L498 HydrophobicContact CB-CD1 4.37Å
485	V	87.4	Confident	86.2	Confident	14 Å²	14	57.8 Å²	57.8	9%	0.085	29%	0.292	C	S	.	.			trans	-120.9	125.5	-176.9	176.5	0	0	0	0	109.7	T479 Y482 K483 I487 L498 A502 Y514	T479-V485 HydrophobicContact CG2-CG1 4.07Å; Y482-V485 PolarHBondContact O-N 3.45Å; K483-V485 VanDerWaalsContact C-N 3.35Å; V485-I487 HydrophobicContact CG1-CD1 4.18Å; V485-I487 HydrophobicContact CG1-CG1 3.84Å; V485-L498 HydrophobicContact CG2-CB 3.65Å; V485-A502 HydrophobicContact CG2-CB 4.05Å; V485-Y514 WeakPolarHBondContact CG2-OH 3.42Å
486	N	87.6	Confident	86.1	Confident	107 Å²	107	59.1 Å²	59.1	57%	0.572	30%	0.299	S	S	*	.			trans	-134.3	102.2	176.3	179	17.9	0	0	0	109.6	Q488	N486-Q488 PolarHBondContact ND2-NE2 3.01Å; N486-Q488 VanDerWaalsContact ND2-NE2 3.13Å
487	I	90.1	Very high	86.1	Confident	2 Å²	2	55.7 Å²	55.7	1%	0.01	28%	0.283	C	S	.	.			trans	-92.7	110.4	-176.8	-57.1	-176	0	0	0	109.9	L472 C475 Q476 T479 V485 W494	L472-I487 HydrophobicContact CD1-CG2 3.82Å; C475-I487 HydrophobicContact CB-CD1 3.94Å; C475-I487 HydrophobicContact CB-CG2 4.11Å; Q476-I487 HydrophobicContact CG-CB 4.34Å; Q476-I487 WeakPolarHBondContact CG-O 3.4Å; Q476-I487 PolarHBondContact NE2-O 2.87Å; T479-I487 HydrophobicContact CG2-CD1 3.72Å; V485-I487 HydrophobicContact CG1-CD1 4.18Å; V485-I487 HydrophobicContact CG1-CG1 3.84Å; I487-W494 HydrophobicContact CD1-CH2 3.94Å; I487-W494 HydrophobicContact CD1-CZ2 3.77Å; I487-W494 HydrophobicContact CD1-CZ3 4.36Å; I487-W494 HydrophobicContact CG2-CZ2 3.99Å
488	Q	86.8	Confident	86.3	Confident	124 Å²	124	49.4 Å²	49.4	58%	0.579	26%	0.26	S	S	*	.			trans	-116.6	-16	178.5	-64.7	-176.4	-12	0	0	113.5	N486 S493	N486-Q488 PolarHBondContact ND2-NE2 3.01Å; N486-Q488 VanDerWaalsContact ND2-NE2 3.13Å; Q488-S493 PolarHBondContact N-OG 3.21Å
489	N	87.2	Confident	86.5	Confident	35 Å²	35	47.3 Å²	47.3	19%	0.187	25%	0.251	C	S	.	.	S	Bend	trans	-159.5	164.4	-175.8	51.1	61.4	0	0	0	110.5	H491 I492 S493 W494	N489-H491 VanDerWaalsContact C-N 3.25Å; N489-H491 PolarHBondContact ND2-CE1 2.93Å; N489-H491 PolarHBondContact O-N 3.44Å; N489-H491 PolarHBondContact OD1-CE1 3.38Å; N489-H491 PolarHBondContact OD1-N 3.37Å; N489-H491 PolarHBondContact OD1-ND1 3.32Å; N489-H491 VanDerWaalsContact OD1-ND1 3.13Å; N489-I492 PolarHBondContact OD1-N 3.48Å; N489-S493 PolarHBondContact N-OG 2.65Å; N489-S493 VanDerWaalsContact N-OG 3.08Å; N489-S493 PolarHBondContact ND2-OG 3.27Å; N489-S493 WeakPolarHBondContact O-CB 3.39Å; N489-S493 PolarHBondContact O-OG 2.88Å; N489-S493 PolarHBondContact OD1-N 3.07Å; N489-S493 PolarHBondContact OD1-OG 3.46Å; N489-W494 PolarHBondContact O-NE1 3.15Å
490	F	85	Confident	86.7	Confident	1 Å²	1	47.3 Å²	47.3	0%	0.004	25%	0.25	C	S	.	.	S	Bend	trans	-88	29.8	174.7	-63.9	-74.7	0	0	0	113.4	K468 L471 L472 W494 E556 I559 M560 V563	K468-F490 HydrophobicContact CG-CE2 4.13Å; K468-F490 WeakPolarHBondContact O-CE2 3.23Å; L471-F490 HydrophobicContact CB-CZ 3.95Å; L471-F490 HydrophobicContact CD2-CE1 4.08Å; L471-F490 HydrophobicContact CD2-CZ 3.88Å; L471-F490 HydrophobicContact CG-CE1 4.02Å; L471-F490 HydrophobicContact CG-CZ 3.68Å; L472-F490 HydrophobicContact CB-CE2 3.82Å; L472-F490 HydrophobicContact CB-CZ 3.85Å; L472-F490 HydrophobicContact CD1-CE2 4.19Å; L472-F490 HydrophobicContact CD1-CZ 4.22Å; F490-W494 HydrophobicContact CD1-CZ2 4.35Å; F490-W494 AromaticContact CD1-NE1 3.93Å; F490-W494 HydrophobicContact CE1-CZ2 4.36Å; F490-E556 HydrophobicContact CB-CG 3.87Å; F490-E556 WeakPolarHBondContact O-CA 3.36Å; F490-I559 HydrophobicContact CB-CG2 4.08Å; F490-I559 HydrophobicContact CD1-CG2 4.3Å; F490-I559 WeakPolarHBondContact O-CB 3.35Å; F490-I559 VanDerWaalsContact O-CD1 3.28Å; F490-I559 WeakPolarHBondContact O-CD1 3.21Å; F490-I559 WeakPolarHBondContact O-CG2 3.24Å; F490-M560 HydrophobicContact CB-CG 3.57Å; F490-M560 HydrophobicContact CD1-CG 3.89Å; F490-M560 HydrophobicContact CD2-CG 3.44Å; F490-M560 VanDerWaalsContact CD2-CG 3.44Å; F490-M560 HydrophobicContact CD2-SD 3.87Å; F490-M560 HydrophobicContact CE1-CG 4.42Å; F490-M560 HydrophobicContact CE2-CG 4.02Å; F490-M560 HydrophobicContact CE2-SD 4.4Å; F490-M560 HydrophobicContact CG-CG 3.36Å; F490-M560 HydrophobicContact CG-SD 4.34Å; F490-M560 HydrophobicContact CZ-CG 4.47Å; F490-V563 HydrophobicContact CE1-CB 4.43Å; F490-V563 HydrophobicContact CE1-CG1 4.06Å
491	H	82.8	Confident	86.8	Confident	20 Å²	20	43.7 Å²	43.7	9%	0.093	22%	0.221	C	C	.	.	S	Bend	trans	-130.1	-77	175	49.1	73.5	0	0	0	112.8	N489 R553 P554	N489-H491 VanDerWaalsContact C-N 3.25Å; N489-H491 PolarHBondContact ND2-CE1 2.93Å; N489-H491 PolarHBondContact O-N 3.44Å; N489-H491 PolarHBondContact OD1-CE1 3.38Å; N489-H491 PolarHBondContact OD1-N 3.37Å; N489-H491 PolarHBondContact OD1-ND1 3.32Å; N489-H491 VanDerWaalsContact OD1-ND1 3.13Å; H491-R553 HydrophobicContact CB-CG 3.93Å; H491-R553 PolarHBondContact CD2-NE 3.27Å; H491-R553 PolarHBondContact CD2-NH2 2.85Å; H491-R553 PolarHBondContact NE2-NE 2.85Å; H491-R553 PolarHBondContact NE2-NH2 3.29Å; H491-P554 WeakPolarHBondContact CB-O 3.39Å; H491-P554 WeakPolarHBondContact O-CG 3.27Å
492	I	84.5	Confident	87	Confident	90 Å²	90	39.6 Å²	39.6	46%	0.462	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-78.4	-31.7	-169.5	-67.9	157.9	0	0	0	110.3	N489 W494 K495 R553	N489-I492 PolarHBondContact OD1-N 3.48Å; I492-W494 PolarHBondContact O-N 3.49Å; I492-W494 VanDerWaalsContact O-N 3.11Å; I492-K495 VanDerWaalsContact O-CB 3.28Å; I492-K495 WeakPolarHBondContact O-CB 3.35Å; I492-K495 PolarHBondContact O-N 3.44Å; I492-R553 HydrophobicContact CD1-CG 4.48Å; I492-R553 HydrophobicContact CG1-CG 4.34Å
493	S	87.2	Confident	87.1	Confident	16 Å²	16	38.1 Å²	38.1	11%	0.112	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-67	-14	-175.6	-42.5	0	0	0	0	114.4	Q488 N489	Q488-S493 PolarHBondContact N-OG 3.21Å; N489-S493 PolarHBondContact N-OG 2.65Å; N489-S493 VanDerWaalsContact N-OG 3.08Å; N489-S493 PolarHBondContact ND2-OG 3.27Å; N489-S493 WeakPolarHBondContact O-CB 3.39Å; N489-S493 PolarHBondContact O-OG 2.88Å; N489-S493 PolarHBondContact OD1-N 3.07Å; N489-S493 PolarHBondContact OD1-OG 3.46Å
494	W	89.3	Confident	87.5	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-105.5	-3.9	-177.7	-62.5	85.7	0	0	0	112.8	C475 I487 N489 F490 I492 D496 G497 F500 L503 I559 V563	C475-W494 HydrophobicContact CB-CH2 4.27Å; C475-W494 HydrophobicContact CB-CZ2 3.98Å; I487-W494 HydrophobicContact CD1-CH2 3.94Å; I487-W494 HydrophobicContact CD1-CZ2 3.77Å; I487-W494 HydrophobicContact CD1-CZ3 4.36Å; I487-W494 HydrophobicContact CG2-CZ2 3.99Å; N489-W494 PolarHBondContact O-NE1 3.15Å; F490-W494 HydrophobicContact CD1-CZ2 4.35Å; F490-W494 AromaticContact CD1-NE1 3.93Å; F490-W494 HydrophobicContact CE1-CZ2 4.36Å; I492-W494 PolarHBondContact O-N 3.49Å; I492-W494 VanDerWaalsContact O-N 3.11Å; W494-D496 VanDerWaalsContact C-N 3.3Å; W494-D496 PolarHBondContact O-N 3.04Å; W494-G497 PolarHBondContact O-N 3.31Å; W494-F500 HydrophobicContact CB-CE2 3.88Å; W494-F500 HydrophobicContact CB-CZ 4.3Å; W494-F500 HydrophobicContact CD2-CE2 4.37Å; W494-F500 HydrophobicContact CD2-CZ 4.22Å; W494-F500 AromaticContact CE3-CD1 3.7Å; W494-F500 HydrophobicContact CE3-CD1 3.7Å; W494-F500 AromaticContact CE3-CD2 3.81Å; W494-F500 HydrophobicContact CE3-CD2 3.81Å; W494-F500 AromaticContact CE3-CE1 3.61Å; W494-F500 HydrophobicContact CE3-CE1 3.61Å; W494-F500 AromaticContact CE3-CE2 3.73Å; W494-F500 HydrophobicContact CE3-CE2 3.73Å; W494-F500 AromaticContact CE3-CG 3.8Å; W494-F500 HydrophobicContact CE3-CG 3.8Å; W494-F500 AromaticContact CE3-CZ 3.63Å; W494-F500 HydrophobicContact CE3-CZ 3.63Å; W494-F500 HydrophobicContact CG-CE2 4.48Å; W494-F500 AromaticContact CZ3-CD1 3.62Å; W494-F500 HydrophobicContact CZ3-CD1 3.62Å; W494-F500 HydrophobicContact CZ3-CD2 4.49Å; W494-F500 AromaticContact CZ3-CE1 3.72Å; W494-F500 HydrophobicContact CZ3-CE1 3.72Å; W494-F500 HydrophobicContact CZ3-CG 4.02Å; W494-F500 HydrophobicContact CZ3-CZ 4.22Å; W494-L503 HydrophobicContact CH2-CD1 3.16Å; W494-L503 HydrophobicContact CZ2-CD1 4.34Å; W494-L503 HydrophobicContact CZ3-CD1 3.44Å; W494-L503 VanDerWaalsContact CZ3-CD1 3.44Å; W494-I559 HydrophobicContact CB-CD1 4.3Å; W494-I559 HydrophobicContact CB-CG2 4.39Å; W494-I559 HydrophobicContact CD2-CG2 4.29Å; W494-I559 HydrophobicContact CG-CG2 3.94Å; W494-V563 HydrophobicContact CD2-CG2 4.22Å; W494-V563 HydrophobicContact CE3-CG2 4.08Å; W494-V563 HydrophobicContact CH2-CB 4.22Å; W494-V563 HydrophobicContact CH2-CG1 3.63Å; W494-V563 HydrophobicContact CH2-CG2 3.43Å; W494-V563 VanDerWaalsContact CH2-CG2 3.43Å; W494-V563 HydrophobicContact CZ2-CB 4.44Å; W494-V563 HydrophobicContact CZ2-CG1 3.89Å; W494-V563 HydrophobicContact CZ2-CG2 3.67Å; W494-V563 HydrophobicContact CZ3-CG2 3.68Å
495	K	85.4	Confident	87.8	Confident	43 Å²	43	25.5 Å²	25.5	19%	0.187	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-30.2	-170.6	-176.6	173.1	176.7	167.8	0	113.2	I492 G497 V549 T551 P554	I492-K495 VanDerWaalsContact O-CB 3.28Å; I492-K495 WeakPolarHBondContact O-CB 3.35Å; I492-K495 PolarHBondContact O-N 3.44Å; K495-G497 PolarHBondContact O-N 2.83Å; K495-V549 WeakPolarHBondContact CE-O 3.4Å; K495-V549 PolarHBondContact NZ-O 3.42Å; K495-T551 WeakPolarHBondContact CE-O 3.47Å; K495-T551 PolarHBondContact NZ-O 3.26Å; K495-P554 HydrophobicContact CB-CG 4.44Å
496	D	86.2	Confident	87.8	Confident	29 Å²	29	31 Å²	31	16%	0.155	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-3.8	-179.9	63	12.8	0	0	0	113.9	W494 L498 K519 P522 N525	W494-D496 VanDerWaalsContact C-N 3.3Å; W494-D496 PolarHBondContact O-N 3.04Å; D496-L498 PolarHBondContact O-N 2.86Å; D496-L498 PolarHBondContact OD1-N 2.8Å; D496-L498 VanDerWaalsContact OD1-N 3.12Å; D496-K519 HydrophobicContact CB-CG 4.21Å; D496-K519 WeakPolarHBondContact OD2-CE 3.35Å; D496-P522 WeakPolarHBondContact O-CA 3.42Å; D496-N525 PolarHBondContact O-ND2 3.39Å
497	G	86.3	Confident	87.6	Confident	0 Å²	0	28 Å²	28	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	71.2	-12.7	-178.7	0	0	0	0	0	115.2	W494 K495 G499 F500 C501	W494-G497 PolarHBondContact O-N 3.31Å; K495-G497 PolarHBondContact O-N 2.83Å; G497-G499 VanDerWaalsContact C-N 3.32Å; G497-G499 PolarHBondContact O-N 3.12Å; G497-F500 PolarHBondContact O-N 3.26Å; G497-C501 PolarHBondContact O-N 3.37Å; G497-C501 PolarHBondContact O-SG 2.84Å; G497-C501 VanDerWaalsContact O-SG 3.35Å
498	L	89.5	Confident	87.2	Confident	3 Å²	3	33.4 Å²	33.4	2%	0.016	15%	0.151	C	C	.	.	H	α-helix	trans	-68.8	-33	-178.9	-67.4	177.4	0	0	0	111.3	N484 V485 D496 F500 C501 A502 L517 K519 N525	N484-L498 HydrophobicContact CB-CD1 4.37Å; V485-L498 HydrophobicContact CG2-CB 3.65Å; D496-L498 PolarHBondContact O-N 2.86Å; D496-L498 PolarHBondContact OD1-N 2.8Å; D496-L498 VanDerWaalsContact OD1-N 3.12Å; L498-F500 PolarHBondContact O-N 3.32Å; L498-C501 PolarHBondContact O-N 3.11Å; L498-A502 WeakPolarHBondContact O-CB 3.15Å; L498-A502 PolarHBondContact O-N 3.45Å; L498-L517 HydrophobicContact CD2-CB 3.82Å; L498-K519 HydrophobicContact CD1-CB 3.81Å; L498-K519 HydrophobicContact CD1-CG 4.05Å; L498-N525 WeakPolarHBondContact CD2-ND2 3.39Å
499	G	89.3	Confident	87.1	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-57.4	-46.1	174.1	0	0	0	0	0	113.3	G497 L503	G497-G499 VanDerWaalsContact C-N 3.32Å; G497-G499 PolarHBondContact O-N 3.12Å; G499-L503 PolarHBondContact O-N 3.46Å; G499-L503 VanDerWaalsContact O-N 3.15Å
500	F	91.8	Very high	86.8	Confident	2 Å²	2	35.1 Å²	35.1	1%	0.009	16%	0.164	C	C	.	.	H	α-helix	trans	-66.5	-45	176.7	-69.9	-70.9	0	0	0	111.8	W494 G497 L498 A502 L503 I504 L526 A529 F530 L543 I559 Y562 V563 F566	W494-F500 HydrophobicContact CB-CE2 3.88Å; W494-F500 HydrophobicContact CB-CZ 4.3Å; W494-F500 HydrophobicContact CD2-CE2 4.37Å; W494-F500 HydrophobicContact CD2-CZ 4.22Å; W494-F500 AromaticContact CE3-CD1 3.7Å; W494-F500 HydrophobicContact CE3-CD1 3.7Å; W494-F500 AromaticContact CE3-CD2 3.81Å; W494-F500 HydrophobicContact CE3-CD2 3.81Å; W494-F500 AromaticContact CE3-CE1 3.61Å; W494-F500 HydrophobicContact CE3-CE1 3.61Å; W494-F500 AromaticContact CE3-CE2 3.73Å; W494-F500 HydrophobicContact CE3-CE2 3.73Å; W494-F500 AromaticContact CE3-CG 3.8Å; W494-F500 HydrophobicContact CE3-CG 3.8Å; W494-F500 AromaticContact CE3-CZ 3.63Å; W494-F500 HydrophobicContact CE3-CZ 3.63Å; W494-F500 HydrophobicContact CG-CE2 4.48Å; W494-F500 AromaticContact CZ3-CD1 3.62Å; W494-F500 HydrophobicContact CZ3-CD1 3.62Å; W494-F500 HydrophobicContact CZ3-CD2 4.49Å; W494-F500 AromaticContact CZ3-CE1 3.72Å; W494-F500 HydrophobicContact CZ3-CE1 3.72Å; W494-F500 HydrophobicContact CZ3-CG 4.02Å; W494-F500 HydrophobicContact CZ3-CZ 4.22Å; G497-F500 PolarHBondContact O-N 3.26Å; L498-F500 PolarHBondContact O-N 3.32Å; F500-A502 VanDerWaalsContact C-N 3.35Å; F500-A502 PolarHBondContact O-N 2.83Å; F500-L503 PolarHBondContact O-N 3.49Å; F500-I504 WeakPolarHBondContact O-CG1 3.36Å; F500-I504 PolarHBondContact O-N 2.99Å; F500-I504 VanDerWaalsContact O-N 3.12Å; F500-L526 HydrophobicContact CD2-CD2 3.61Å; F500-L526 HydrophobicContact CE2-CD2 3.86Å; F500-A529 HydrophobicContact CB-CB 3.68Å; F500-F530 HydrophobicContact CD2-CE1 4.12Å; F500-F530 HydrophobicContact CE2-CE1 4.22Å; F500-F530 HydrophobicContact CE2-CZ 4.45Å; F500-F530 HydrophobicContact CG-CE1 4.31Å; F500-L543 HydrophobicContact CZ-CD1 4.34Å; F500-I559 HydrophobicContact CZ-CG2 4.43Å; F500-Y562 HydrophobicContact CD1-CD1 4.42Å; F500-Y562 AromaticContact CE1-CD1 3.7Å; F500-Y562 HydrophobicContact CE1-CD1 3.7Å; F500-Y562 HydrophobicContact CE1-CE1 4.23Å; F500-Y562 HydrophobicContact CZ-CD1 4.07Å; F500-V563 HydrophobicContact CE1-CG2 3.63Å; F500-V563 HydrophobicContact CZ-CG2 4.16Å; F500-F566 HydrophobicContact CD1-CD2 4.35Å; F500-F566 AromaticContact CD1-CE2 3.89Å; F500-F566 HydrophobicContact CD1-CE2 3.89Å; F500-F566 HydrophobicContact CE1-CE2 4.22Å
501	C	89.9	Confident	86.8	Confident	0 Å²	0	37 Å²	37	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-63.6	-39.8	178.6	-65.2	0	0	0	0	112.5	G497 L498 L503 I504 H505 I512 Y514 L517 N525	G497-C501 PolarHBondContact O-N 3.37Å; G497-C501 PolarHBondContact O-SG 2.84Å; G497-C501 VanDerWaalsContact O-SG 3.35Å; L498-C501 PolarHBondContact O-N 3.11Å; C501-L503 VanDerWaalsContact C-N 3.34Å; C501-I504 PolarHBondContact O-N 3.48Å; C501-H505 VanDerWaalsContact O-CB 3.27Å; C501-H505 WeakPolarHBondContact O-CB 3.47Å; C501-H505 PolarHBondContact O-N 3.42Å; C501-I512 HydrophobicContact CB-CD1 4.25Å; C501-I512 HydrophobicContact CB-CG2 4.46Å; C501-Y514 HydrophobicContact CB-CD2 4.38Å; C501-Y514 HydrophobicContact CB-CE2 4.18Å; C501-L517 HydrophobicContact CB-CD1 3.34Å; C501-N525 PolarHBondContact SG-O 2.96Å
502	A	89.1	Confident	87.1	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-66	-38.5	179	0	0	0	0	0	111.4	T479 Y482 V485 L498 F500 R506 Y514	T479-A502 HydrophobicContact CG2-CB 3.91Å; Y482-A502 HydrophobicContact CD1-CB 4.22Å; Y482-A502 HydrophobicContact CD2-CB 3.89Å; Y482-A502 HydrophobicContact CE1-CB 4.44Å; Y482-A502 HydrophobicContact CE2-CB 4.1Å; Y482-A502 HydrophobicContact CG-CB 3.93Å; V485-A502 HydrophobicContact CG2-CB 4.05Å; L498-A502 WeakPolarHBondContact O-CB 3.15Å; L498-A502 PolarHBondContact O-N 3.45Å; F500-A502 VanDerWaalsContact C-N 3.35Å; F500-A502 PolarHBondContact O-N 2.83Å; A502-R506 WeakPolarHBondContact O-CB 3.42Å; A502-R506 PolarHBondContact O-N 3.02Å; A502-Y514 HydrophobicContact CB-CE2 3.7Å
503	L	89.1	Confident	87.2	Confident	2 Å²	2	36.4 Å²	36.4	1%	0.01	17%	0.172	C	C	.	.	H	α-helix	trans	-65.5	-43.5	175.9	-87.2	162	0	0	0	112.8	W474 K478 T479 W494 G499 F500 C501 H507	W474-L503 HydrophobicContact CE3-CD2 4.27Å; W474-L503 HydrophobicContact CH2-CD2 3.66Å; W474-L503 HydrophobicContact CZ2-CD2 4.32Å; W474-L503 HydrophobicContact CZ3-CD1 4.35Å; W474-L503 HydrophobicContact CZ3-CD2 3.63Å; K478-L503 HydrophobicContact CB-CD2 3.73Å; K478-L503 HydrophobicContact CG-CD2 4.44Å; T479-L503 HydrophobicContact CG2-CD1 4.48Å; T479-L503 HydrophobicContact CG2-CD2 4.36Å; T479-L503 HydrophobicContact CG2-CG 3.83Å; W494-L503 HydrophobicContact CH2-CD1 3.16Å; W494-L503 HydrophobicContact CZ2-CD1 4.34Å; W494-L503 HydrophobicContact CZ3-CD1 3.44Å; W494-L503 VanDerWaalsContact CZ3-CD1 3.44Å; G499-L503 PolarHBondContact O-N 3.46Å; G499-L503 VanDerWaalsContact O-N 3.15Å; F500-L503 PolarHBondContact O-N 3.49Å; C501-L503 VanDerWaalsContact C-N 3.34Å; L503-H507 PolarHBondContact O-N 3.24Å; L503-H507 PolarHBondContact O-ND1 2.81Å
504	I	89.3	Confident	87.1	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-65.3	-51.2	175.7	-62.8	165	0	0	0	109.7	F500 C501 R506 H507 R508 L511 I512 A529 V532 L537 F566 F570	F500-I504 WeakPolarHBondContact O-CG1 3.36Å; F500-I504 PolarHBondContact O-N 2.99Å; F500-I504 VanDerWaalsContact O-N 3.12Å; C501-I504 PolarHBondContact O-N 3.48Å; I504-R506 VanDerWaalsContact C-N 3.27Å; I504-R506 PolarHBondContact O-N 3.33Å; I504-H507 PolarHBondContact O-N 3.48Å; I504-R508 CarbonylContact O-C 3.58Å; I504-R508 WeakPolarHBondContact O-CA 3.25Å; I504-R508 PolarHBondContact O-N 2.91Å; I504-L511 HydrophobicContact CG2-CB 4.35Å; I504-I512 HydrophobicContact CB-CD1 3.68Å; I504-I512 HydrophobicContact CB-CG1 4.46Å; I504-I512 HydrophobicContact CD1-CD1 3.85Å; I504-I512 HydrophobicContact CG1-CD1 4.38Å; I504-I512 HydrophobicContact CG2-CD1 3.62Å; I504-I512 HydrophobicContact CG2-CG1 3.9Å; I504-A529 HydrophobicContact CD1-CB 3.97Å; I504-A529 WeakPolarHBondContact CD1-O 3.17Å; I504-V532 HydrophobicContact CG2-CG1 3.97Å; I504-L537 HydrophobicContact CG1-CD1 4.35Å; I504-L537 HydrophobicContact CG2-CD1 4.47Å; I504-F566 HydrophobicContact CD1-CE1 3.69Å; I504-F566 HydrophobicContact CD1-CZ 4.12Å; I504-F566 HydrophobicContact CG1-CD1 4.19Å; I504-F566 HydrophobicContact CG1-CE1 3.66Å; I504-F566 HydrophobicContact CG1-CZ 4.48Å; I504-F570 HydrophobicContact CB-CZ 4.37Å; I504-F570 HydrophobicContact CG1-CE2 4.38Å; I504-F570 HydrophobicContact CG1-CZ 4.1Å
505	H	90.7	Very high	86.7	Confident	48 Å²	48	40.7 Å²	40.7	22%	0.222	21%	0.209	C	C	.	.	H	α-helix	trans	-62.1	-31.7	-179.9	-177.8	-108.3	0	0	0	112.9	Y482 C501 H507 P509 I512 Y514	Y482-H505 AromaticContact CE1-ND1 3.46Å; Y482-H505 WeakPolarHBondContact CE1-ND1 3.46Å; Y482-H505 AromaticContact CZ-ND1 3.53Å; Y482-H505 PolarHBondContact OH-ND1 2.97Å; C501-H505 VanDerWaalsContact O-CB 3.27Å; C501-H505 WeakPolarHBondContact O-CB 3.47Å; C501-H505 PolarHBondContact O-N 3.42Å; H505-H507 VanDerWaalsContact C-N 3.35Å; H505-H507 PolarHBondContact O-N 3.49Å; H505-P509 VanDerWaalsContact O-CA 3.23Å; H505-P509 WeakPolarHBondContact O-CA 3.26Å; H505-P509 WeakPolarHBondContact O-CB 3.38Å; H505-I512 HydrophobicContact CB-CB 4.4Å; H505-I512 PolarHBondContact CD2-O 3.49Å; H505-Y514 HydrophobicContact CB-CD2 4.22Å
506	R	86.4	Confident	86.6	Confident	129 Å²	129	46.2 Å²	46.2	49%	0.487	23%	0.233	S	C	.	.	H	α-helix	trans	-65.4	-36.7	177.5	-176.1	65	-179	110.4	-5.8	112.9	K478 Y482 A502 I504	K478-R506 HydrophobicContact CB-CG 4.29Å; K478-R506 HydrophobicContact CD-CG 4.37Å; K478-R506 WeakPolarHBondContact O-CD 3.44Å; K478-R506 WeakPolarHBondContact O-CG 3.35Å; Y482-R506 HydrophobicContact CE2-CB 4.1Å; Y482-R506 WeakPolarHBondContact OH-CA 3.32Å; Y482-R506 PolarHBondContact OH-N 3.24Å; A502-R506 WeakPolarHBondContact O-CB 3.42Å; A502-R506 PolarHBondContact O-N 3.02Å; I504-R506 VanDerWaalsContact C-N 3.27Å; I504-R506 PolarHBondContact O-N 3.33Å
507	H	83.3	Confident	86.6	Confident	45 Å²	45	46.2 Å²	46.2	21%	0.208	23%	0.233	C	C	.	.	H	α-helix	trans	-96.5	-31.1	-177.5	-64.4	89.1	0	0	0	112.4	W474 K478 L503 I504 H505 F570	W474-H507 AromaticContact CZ2-CE1 3.59Å; W474-H507 AromaticContact CZ2-NE2 3.82Å; K478-H507 WeakPolarHBondContact CE-NE2 3.3Å; K478-H507 PolarHBondContact NZ-NE2 2.89Å; L503-H507 PolarHBondContact O-N 3.24Å; L503-H507 PolarHBondContact O-ND1 2.81Å; I504-H507 PolarHBondContact O-N 3.48Å; H505-H507 VanDerWaalsContact C-N 3.35Å; H505-H507 PolarHBondContact O-N 3.49Å; H507-F570 HydrophobicContact CB-CD1 3.7Å; H507-F570 HydrophobicContact CB-CD2 4.43Å; H507-F570 HydrophobicContact CB-CE1 3.93Å; H507-F570 HydrophobicContact CB-CG 3.98Å; H507-F570 HydrophobicContact CB-CZ 4.37Å; H507-F570 AromaticContact CG-CG 3.84Å; H507-F570 AromaticContact ND1-CD2 3.92Å
508	R	82.4	Confident	86.4	Confident	115 Å²	115	54.2 Å²	54.2	43%	0.434	26%	0.263	S	S	.	.			trans	-138.9	72.1	-175.8	-67.3	-72.1	178.7	176.7	-0.7	109.7	I504 E510 L511 L537 F570	I504-R508 CarbonylContact O-C 3.58Å; I504-R508 WeakPolarHBondContact O-CA 3.25Å; I504-R508 PolarHBondContact O-N 2.91Å; R508-E510 WeakPolarHBondContact CA-OE2 3.46Å; R508-E510 WeakPolarHBondContact CD-OE1 3.48Å; R508-E510 IonicContact NE-OE1 3.91Å; R508-E510 IonicContact NH1-OE1 2.6Å; R508-E510 PolarHBondContact NH1-OE1 3.03Å; R508-E510 PolarHBondContact O-N 3.47Å; R508-L511 HydrophobicContact CB-CB 4.38Å; R508-L511 HydrophobicContact CB-CD1 3.62Å; R508-L511 HydrophobicContact CB-CG 3.91Å; R508-L511 HydrophobicContact CG-CD1 4.05Å; R508-L511 PolarHBondContact O-N 2.64Å; R508-L511 VanDerWaalsContact O-N 3.14Å; R508-L537 HydrophobicContact CG-CD2 4.45Å; R508-F570 HydrophobicContact CG-CE1 4.08Å
509	P	83.9	Confident	86	Confident	75 Å²	75	60.5 Å²	60.5	49%	0.487	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-61.8	-23	-176.1	25.1	-34.1	0	0	0	113.3	H505 L511	H505-P509 VanDerWaalsContact O-CA 3.23Å; H505-P509 WeakPolarHBondContact O-CA 3.26Å; H505-P509 WeakPolarHBondContact O-CB 3.38Å; P509-L511 PolarHBondContact O-N 3.31Å
510	E	82.2	Confident	85.7	Confident	119 Å²	119	66.5 Å²	66.5	56%	0.556	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-67.6	-20.3	177	72.6	-80.5	-163.1	0	0	114.1	R508	R508-E510 WeakPolarHBondContact CA-OE2 3.46Å; R508-E510 WeakPolarHBondContact CD-OE1 3.48Å; R508-E510 IonicContact NE-OE1 3.91Å; R508-E510 IonicContact NH1-OE1 2.6Å; R508-E510 PolarHBondContact NH1-OE1 3.03Å; R508-E510 PolarHBondContact O-N 3.47Å
511	L	85.3	Confident	85.4	Confident	41 Å²	41	69.6 Å²	69.6	22%	0.215	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-92.4	-20.7	-172	-63.3	-178.1	0	0	0	114.2	I504 R508 P509 V532 Y536 L537	I504-L511 HydrophobicContact CG2-CB 4.35Å; R508-L511 HydrophobicContact CB-CB 4.38Å; R508-L511 HydrophobicContact CB-CD1 3.62Å; R508-L511 HydrophobicContact CB-CG 3.91Å; R508-L511 HydrophobicContact CG-CD1 4.05Å; R508-L511 PolarHBondContact O-N 2.64Å; R508-L511 VanDerWaalsContact O-N 3.14Å; P509-L511 PolarHBondContact O-N 3.31Å; L511-V532 HydrophobicContact CB-CG1 3.8Å; L511-V532 HydrophobicContact CD1-CG1 4.23Å; L511-Y536 HydrophobicContact CD2-CD1 4.2Å; L511-Y536 HydrophobicContact CD2-CD2 4.17Å; L511-Y536 HydrophobicContact CD2-CG 3.87Å; L511-L537 HydrophobicContact CD1-CD2 3.94Å; L511-L537 HydrophobicContact CD1-CG 4.44Å
512	I	87.8	Confident	85.2	Confident	9 Å²	9	71 Å²	71	5%	0.046	35%	0.349	C	S	.	.			trans	-136.9	127.6	-177.3	-67.2	-170.5	0	0	0	110	C501 I504 H505 Y514 L517 V532	C501-I512 HydrophobicContact CB-CD1 4.25Å; C501-I512 HydrophobicContact CB-CG2 4.46Å; I504-I512 HydrophobicContact CB-CD1 3.68Å; I504-I512 HydrophobicContact CB-CG1 4.46Å; I504-I512 HydrophobicContact CD1-CD1 3.85Å; I504-I512 HydrophobicContact CG1-CD1 4.38Å; I504-I512 HydrophobicContact CG2-CD1 3.62Å; I504-I512 HydrophobicContact CG2-CG1 3.9Å; H505-I512 HydrophobicContact CB-CB 4.4Å; H505-I512 PolarHBondContact CD2-O 3.49Å; I512-Y514 PolarHBondContact O-N 3.14Å; I512-L517 HydrophobicContact CG2-CD1 3.81Å; I512-V532 HydrophobicContact CD1-CG1 4.43Å; I512-V532 HydrophobicContact CG1-CG1 4.16Å; I512-V532 HydrophobicContact CG1-CG2 4.2Å
513	D	86.4	Confident	85	Confident	88 Å²	88	73.9 Å²	73.9	47%	0.471	36%	0.362	S	S	.	.			trans	-85.1	93.1	168.9	-176	-9.5	0	0	0	110.1	G515 K516	D513-G515 PolarHBondContact O-N 3.23Å; D513-G515 PolarHBondContact OD1-N 2.94Å; D513-K516 HydrophobicContact CB-CD 4.3Å; D513-K516 PolarHBondContact O-N 3.3Å; D513-K516 VanDerWaalsContact OD2-CD 3.27Å; D513-K516 WeakPolarHBondContact OD2-CD 3.32Å; D513-K516 WeakPolarHBondContact OD2-CE 3.16Å; D513-K516 IonicContact OD2-NZ 2.72Å; D513-K516 PolarHBondContact OD2-NZ 3.22Å
514	Y	86.5	Confident	84.8	Confident	32 Å²	32	77 Å²	77	13%	0.125	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-64.9	-24.2	-173.8	-161.4	-90	0	0	0	113.4	Y482 V485 C501 A502 H505 I512 K516 L517	Y482-Y514 AromaticContact CD1-CD1 3.85Å; Y482-Y514 HydrophobicContact CD1-CD1 3.85Å; Y482-Y514 HydrophobicContact CD1-CD2 4.24Å; Y482-Y514 AromaticContact CD1-CE1 3.51Å; Y482-Y514 HydrophobicContact CD1-CE1 3.51Å; Y482-Y514 AromaticContact CD1-CE2 3.94Å; Y482-Y514 HydrophobicContact CD1-CE2 3.94Å; Y482-Y514 HydrophobicContact CD1-CG 4.21Å; Y482-Y514 AromaticContact CD1-CZ 3.56Å; Y482-Y514 HydrophobicContact CE1-CD1 4Å; Y482-Y514 AromaticContact CE1-CD2 3.99Å; Y482-Y514 HydrophobicContact CE1-CD2 3.99Å; Y482-Y514 HydrophobicContact CE1-CE1 4.11Å; Y482-Y514 HydrophobicContact CE1-CE2 4.1Å; Y482-Y514 AromaticContact CE1-CG 3.95Å; Y482-Y514 HydrophobicContact CE1-CG 3.95Å; Y482-Y514 HydrophobicContact CG-CE1 4.49Å; V485-Y514 WeakPolarHBondContact CG2-OH 3.42Å; C501-Y514 HydrophobicContact CB-CD2 4.38Å; C501-Y514 HydrophobicContact CB-CE2 4.18Å; A502-Y514 HydrophobicContact CB-CE2 3.7Å; H505-Y514 HydrophobicContact CB-CD2 4.22Å; I512-Y514 PolarHBondContact O-N 3.14Å; Y514-K516 VanDerWaalsContact C-N 3.25Å; Y514-K516 PolarHBondContact O-N 3.32Å; Y514-L517 HydrophobicContact CD2-CD1 3.89Å; Y514-L517 HydrophobicContact CE2-CD1 4.24Å; Y514-L517 HydrophobicContact CG-CD1 4.44Å; Y514-L517 PolarHBondContact O-N 2.87Å
515	G	80.4	Confident	84.8	Confident	74 Å²	74	77.2 Å²	77.2	76%	0.763	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-70	-20	-178.9	0	0	0	0	0	114.2	D513	D513-G515 PolarHBondContact O-N 3.23Å; D513-G515 PolarHBondContact OD1-N 2.94Å
516	K	83.3	Confident	84.7	Confident	159 Å²	159	74.9 Å²	74.9	69%	0.691	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-87.1	-15.6	177.8	-70.6	177.8	179.1	136.4	0	113.5	D513 Y514	D513-K516 HydrophobicContact CB-CD 4.3Å; D513-K516 PolarHBondContact O-N 3.3Å; D513-K516 VanDerWaalsContact OD2-CD 3.27Å; D513-K516 WeakPolarHBondContact OD2-CD 3.32Å; D513-K516 WeakPolarHBondContact OD2-CE 3.16Å; D513-K516 IonicContact OD2-NZ 2.72Å; D513-K516 PolarHBondContact OD2-NZ 3.22Å; Y514-K516 VanDerWaalsContact C-N 3.25Å; Y514-K516 PolarHBondContact O-N 3.32Å
517	L	86.3	Confident	84.8	Confident	29 Å²	29	71.5 Å²	71.5	15%	0.152	36%	0.364	C	S	.	.			trans	-80.1	139.2	-176.8	-56.9	176.4	0	0	0	110.6	L498 C501 I512 Y514 N525	L498-L517 HydrophobicContact CD2-CB 3.82Å; C501-L517 HydrophobicContact CB-CD1 3.34Å; I512-L517 HydrophobicContact CG2-CD1 3.81Å; Y514-L517 HydrophobicContact CD2-CD1 3.89Å; Y514-L517 HydrophobicContact CE2-CD1 4.24Å; Y514-L517 HydrophobicContact CG-CD1 4.44Å; Y514-L517 PolarHBondContact O-N 2.87Å; L517-N525 WeakPolarHBondContact CD2-OD1 3.47Å
518	R	81.9	Confident	85	Confident	168 Å²	168	71.6 Å²	71.6	63%	0.634	37%	0.367	S	S	*	.			trans	-132.8	146.4	-179.4	-50.7	-176.8	172.4	-171.2	-1.3	111.4	D520 D521 N525	R518-D520 VanDerWaalsContact C-N 3.26Å; R518-D520 WeakPolarHBondContact CB-OD1 3.49Å; R518-D520 PolarHBondContact O-N 3.17Å; R518-D521 PolarHBondContact O-N 2.99Å; R518-N525 PolarHBondContact O-ND2 3.22Å
519	K	80.9	Confident	85.3	Confident	135 Å²	135	66.1 Å²	66.1	59%	0.587	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-25.9	-174.8	-168.7	173	-176.8	174.1	0	113.4	D496 L498 D521	D496-K519 HydrophobicContact CB-CG 4.21Å; D496-K519 WeakPolarHBondContact OD2-CE 3.35Å; L498-K519 HydrophobicContact CD1-CB 3.81Å; L498-K519 HydrophobicContact CD1-CG 4.05Å; K519-D521 VanDerWaalsContact C-N 3.28Å
520	D	82.2	Confident	85.6	Confident	127 Å²	127	62.6 Å²	62.6	68%	0.679	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-10.2	178.2	55.5	-34.1	0	0	0	113.7	R518 P522	R518-D520 VanDerWaalsContact C-N 3.26Å; R518-D520 WeakPolarHBondContact CB-OD1 3.49Å; R518-D520 PolarHBondContact O-N 3.17Å; D520-P522 VanDerWaalsContact O-CD 3.28Å; D520-P522 WeakPolarHBondContact O-CD 3.48Å
521	D	86.1	Confident	85.9	Confident	67 Å²	67	60.6 Å²	60.6	36%	0.358	32%	0.317	S	S	.	.			trans	-120.2	68.2	176.2	-169.1	2.5	0	0	0	112.7	R518 K519 M523 T524 N525	R518-D521 PolarHBondContact O-N 2.99Å; K519-D521 VanDerWaalsContact C-N 3.28Å; D521-M523 PolarHBondContact O-N 3.31Å; D521-T524 VanDerWaalsContact CG-CB 3.45Å; D521-T524 PolarHBondContact O-N 3.34Å; D521-T524 PolarHBondContact OD1-N 3.42Å; D521-T524 VanDerWaalsContact OD1-N 3.16Å; D521-T524 PolarHBondContact OD1-OG1 3.5Å; D521-T524 VanDerWaalsContact OD1-OG1 3.07Å; D521-T524 WeakPolarHBondContact OD2-CB 3.33Å; D521-T524 PolarHBondContact OD2-OG1 2.82Å; D521-N525 PolarHBondContact O-N 2.73Å; D521-N525 PolarHBondContact O-ND2 3.02Å; D521-N525 PolarHBondContact O-OD1 3.49Å
522	P	84.9	Confident	86	Confident	30 Å²	30	59.4 Å²	59.4	20%	0.195	31%	0.311	C	S	.	.	H	α-helix	trans	-66.8	-26.5	-177	30.8	-38.2	0	0	0	112.7	D496 D520 L526 V549	D496-P522 WeakPolarHBondContact O-CA 3.42Å; D520-P522 VanDerWaalsContact O-CD 3.28Å; D520-P522 WeakPolarHBondContact O-CD 3.48Å; P522-L526 WeakPolarHBondContact O-CB 3.34Å; P522-L526 WeakPolarHBondContact O-CD1 3.41Å; P522-L526 VanDerWaalsContact O-CG 3.25Å; P522-L526 WeakPolarHBondContact O-CG 3.24Å; P522-L526 PolarHBondContact O-N 3.36Å; P522-V549 HydrophobicContact CB-CG2 3.99Å; P522-V549 HydrophobicContact CG-CG1 3.99Å; P522-V549 HydrophobicContact CG-CG2 4.09Å
523	M	84.7	Confident	85.9	Confident	59 Å²	59	59 Å²	59	29%	0.291	31%	0.309	S	S	.	.	H	α-helix	trans	-69.2	-46.3	-178.5	-169.1	62	-173.1	0	0	111	D521 N527 A545 E546 V549	D521-M523 PolarHBondContact O-N 3.31Å; M523-N527 WeakPolarHBondContact CE-ND2 3.27Å; M523-N527 PolarHBondContact O-N 3.37Å; M523-N527 VanDerWaalsContact O-N 3.16Å; M523-N527 PolarHBondContact O-ND2 2.94Å; M523-A545 HydrophobicContact CE-CB 3.98Å; M523-A545 HydrophobicContact SD-CB 3.81Å; M523-E546 HydrophobicContact CE-CB 4.33Å; M523-E546 HydrophobicContact CE-CG 3.26Å; M523-E546 HydrophobicContact SD-CG 4.23Å; M523-V549 HydrophobicContact SD-CG2 4.39Å
524	T	86.3	Confident	85.9	Confident	69 Å²	69	59 Å²	59	42%	0.423	31%	0.306	S	S	.	.	H	α-helix	trans	-68.4	-39.9	175.6	-55.9	0	0	0	0	111.3	D521 L526 T528	D521-T524 VanDerWaalsContact CG-CB 3.45Å; D521-T524 PolarHBondContact O-N 3.34Å; D521-T524 PolarHBondContact OD1-N 3.42Å; D521-T524 VanDerWaalsContact OD1-N 3.16Å; D521-T524 PolarHBondContact OD1-OG1 3.5Å; D521-T524 VanDerWaalsContact OD1-OG1 3.07Å; D521-T524 WeakPolarHBondContact OD2-CB 3.33Å; D521-T524 PolarHBondContact OD2-OG1 2.82Å; T524-L526 PolarHBondContact O-N 3.25Å; T524-T528 VanDerWaalsContact O-CB 3.26Å; T524-T528 WeakPolarHBondContact O-CB 3.4Å; T524-T528 PolarHBondContact O-N 3.47Å; T524-T528 PolarHBondContact O-OG1 3Å
525	N	89.3	Confident	85.7	Confident	3 Å²	3	64.9 Å²	64.9	2%	0.016	33%	0.332	C	S	.	.	H	α-helix	trans	-60	-47.7	178.2	-63.6	-21	0	0	0	112	D496 L498 C501 L517 R518 D521 T528 A529	D496-N525 PolarHBondContact O-ND2 3.39Å; L498-N525 WeakPolarHBondContact CD2-ND2 3.39Å; C501-N525 PolarHBondContact SG-O 2.96Å; L517-N525 WeakPolarHBondContact CD2-OD1 3.47Å; R518-N525 PolarHBondContact O-ND2 3.22Å; D521-N525 PolarHBondContact O-N 2.73Å; D521-N525 PolarHBondContact O-ND2 3.02Å; D521-N525 PolarHBondContact O-OD1 3.49Å; N525-T528 PolarHBondContact O-N 3.41Å; N525-A529 WeakPolarHBondContact O-CB 3.42Å; N525-A529 PolarHBondContact O-N 3.36Å
526	L	88	Confident	85.8	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-65.4	-47.4	-179.7	-73.6	165.4	0	0	0	111.8	F500 P522 T524 T528 A529 F530 A545 I548 V549	F500-L526 HydrophobicContact CD2-CD2 3.61Å; F500-L526 HydrophobicContact CE2-CD2 3.86Å; P522-L526 WeakPolarHBondContact O-CB 3.34Å; P522-L526 WeakPolarHBondContact O-CD1 3.41Å; P522-L526 VanDerWaalsContact O-CG 3.25Å; P522-L526 WeakPolarHBondContact O-CG 3.24Å; P522-L526 PolarHBondContact O-N 3.36Å; T524-L526 PolarHBondContact O-N 3.25Å; L526-T528 VanDerWaalsContact C-N 3.32Å; L526-T528 PolarHBondContact O-N 3Å; L526-A529 PolarHBondContact O-N 2.81Å; L526-F530 HydrophobicContact CB-CE2 4.13Å; L526-F530 HydrophobicContact CB-CZ 4.17Å; L526-F530 HydrophobicContact CD2-CE1 4.1Å; L526-F530 HydrophobicContact CD2-CE2 4.42Å; L526-F530 HydrophobicContact CD2-CZ 3.69Å; L526-F530 HydrophobicContact CG-CZ 4.5Å; L526-F530 WeakPolarHBondContact O-CB 3.44Å; L526-F530 VanDerWaalsContact O-CD1 3.26Å; L526-F530 WeakPolarHBondContact O-CD1 3.47Å; L526-F530 WeakPolarHBondContact O-CD2 3.5Å; L526-F530 WeakPolarHBondContact O-CG 3.4Å; L526-F530 PolarHBondContact O-N 3.18Å; L526-A545 HydrophobicContact CB-CB 3.75Å; L526-A545 HydrophobicContact CD1-CB 4.46Å; L526-I548 HydrophobicContact CD1-CB 3.99Å; L526-I548 HydrophobicContact CD1-CG2 3.83Å; L526-I548 HydrophobicContact CD2-CD1 4.16Å; L526-I548 HydrophobicContact CD2-CG2 4.49Å; L526-V549 HydrophobicContact CD1-CG2 3.52Å
527	N	88.9	Confident	85.6	Confident	58 Å²	58	61.8 Å²	61.8	31%	0.31	30%	0.297	S	S	.	.	H	α-helix	trans	-62.6	-41	177.8	-73.9	-55.8	0	0	0	111.8	M523 A529 F530 D531 A545	M523-N527 WeakPolarHBondContact CE-ND2 3.27Å; M523-N527 PolarHBondContact O-N 3.37Å; M523-N527 VanDerWaalsContact O-N 3.16Å; M523-N527 PolarHBondContact O-ND2 2.94Å; N527-A529 PolarHBondContact O-N 2.86Å; N527-F530 PolarHBondContact O-N 3.24Å; N527-D531 VanDerWaalsContact O-CB 3.29Å; N527-D531 WeakPolarHBondContact O-CB 3.17Å; N527-D531 VanDerWaalsContact O-CG 3.23Å; N527-D531 PolarHBondContact O-N 2.69Å; N527-A545 WeakPolarHBondContact OD1-CB 3.4Å
528	T	87.5	Confident	85.3	Confident	46 Å²	46	65.1 Å²	65.1	28%	0.282	32%	0.315	S	S	.	.	H	α-helix	trans	-59.8	-46.8	175.6	-55.9	0	0	0	0	111	T524 N525 L526 F530 V532	T524-T528 VanDerWaalsContact O-CB 3.26Å; T524-T528 WeakPolarHBondContact O-CB 3.4Å; T524-T528 PolarHBondContact O-N 3.47Å; T524-T528 PolarHBondContact O-OG1 3Å; N525-T528 PolarHBondContact O-N 3.41Å; L526-T528 VanDerWaalsContact C-N 3.32Å; L526-T528 PolarHBondContact O-N 3Å; T528-F530 VanDerWaalsContact C-N 3.35Å; T528-F530 PolarHBondContact O-N 2.81Å; T528-V532 HydrophobicContact CG2-CG2 4.46Å; T528-V532 WeakPolarHBondContact O-CB 3.46Å; T528-V532 WeakPolarHBondContact O-CG2 3.41Å; T528-V532 PolarHBondContact O-N 3.44Å
529	A	88.5	Confident	85.3	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-62	-41.8	177.3	0	0	0	0	0	112.3	F500 I504 N525 L526 N527 A533	F500-A529 HydrophobicContact CB-CB 3.68Å; I504-A529 HydrophobicContact CD1-CB 3.97Å; I504-A529 WeakPolarHBondContact CD1-O 3.17Å; N525-A529 WeakPolarHBondContact O-CB 3.42Å; N525-A529 PolarHBondContact O-N 3.36Å; L526-A529 PolarHBondContact O-N 2.81Å; N527-A529 PolarHBondContact O-N 2.86Å; A529-A533 VanDerWaalsContact O-CB 3.22Å; A529-A533 WeakPolarHBondContact O-CB 3.46Å; A529-A533 PolarHBondContact O-N 3.33Å
530	F	90.9	Very high	85.2	Confident	2 Å²	2	52.4 Å²	52.4	1%	0.009	27%	0.267	C	S	.	.	H	α-helix	trans	-73.6	-39.1	-176.8	-59.7	-10.1	0	0	0	112.2	F500 L526 N527 T528 A533 E534 K541 L543 A545 I548 Y562	F500-F530 HydrophobicContact CD2-CE1 4.12Å; F500-F530 HydrophobicContact CE2-CE1 4.22Å; F500-F530 HydrophobicContact CE2-CZ 4.45Å; F500-F530 HydrophobicContact CG-CE1 4.31Å; L526-F530 HydrophobicContact CB-CE2 4.13Å; L526-F530 HydrophobicContact CB-CZ 4.17Å; L526-F530 HydrophobicContact CD2-CE1 4.1Å; L526-F530 HydrophobicContact CD2-CE2 4.42Å; L526-F530 HydrophobicContact CD2-CZ 3.69Å; L526-F530 HydrophobicContact CG-CZ 4.5Å; L526-F530 WeakPolarHBondContact O-CB 3.44Å; L526-F530 VanDerWaalsContact O-CD1 3.26Å; L526-F530 WeakPolarHBondContact O-CD1 3.47Å; L526-F530 WeakPolarHBondContact O-CD2 3.5Å; L526-F530 WeakPolarHBondContact O-CG 3.4Å; L526-F530 PolarHBondContact O-N 3.18Å; N527-F530 PolarHBondContact O-N 3.24Å; T528-F530 VanDerWaalsContact C-N 3.35Å; T528-F530 PolarHBondContact O-N 2.81Å; F530-A533 PolarHBondContact O-N 3.06Å; F530-E534 WeakPolarHBondContact O-CB 3.21Å; F530-E534 PolarHBondContact O-N 2.86Å; F530-K541 HydrophobicContact CB-CG 4.21Å; F530-L543 WeakPolarHBondContact CD2-O 3.48Å; F530-L543 HydrophobicContact CE2-CB 4.08Å; F530-L543 WeakPolarHBondContact CE2-O 3.23Å; F530-L543 HydrophobicContact CZ-CB 4.06Å; F530-A545 HydrophobicContact CE2-CB 4.23Å; F530-I548 HydrophobicContact CE2-CD1 4.17Å; F530-I548 HydrophobicContact CZ-CD1 3.69Å; F530-Y562 AromaticContact CD1-CE1 3.48Å; F530-Y562 HydrophobicContact CD1-CE1 3.48Å; F530-Y562 VanDerWaalsContact CD1-CE1 3.48Å; F530-Y562 AromaticContact CD1-CZ 3.91Å; F530-Y562 WeakPolarHBondContact CD1-OH 3.15Å; F530-Y562 HydrophobicContact CE1-CD1 4.14Å; F530-Y562 AromaticContact CE1-CE1 3.37Å; F530-Y562 HydrophobicContact CE1-CE1 3.37Å; F530-Y562 HydrophobicContact CG-CE1 4.38Å; F530-Y562 HydrophobicContact CZ-CE1 4.18Å
531	D	87.2	Confident	85.1	Confident	77 Å²	77	50.2 Å²	50.2	41%	0.412	25%	0.252	S	S	.	.	H	α-helix	trans	-64.2	-43.9	174.2	-74.6	-26.5	0	0	0	111.6	N527 A533 E534 K535 K541	N527-D531 VanDerWaalsContact O-CB 3.29Å; N527-D531 WeakPolarHBondContact O-CB 3.17Å; N527-D531 VanDerWaalsContact O-CG 3.23Å; N527-D531 PolarHBondContact O-N 2.69Å; D531-A533 VanDerWaalsContact C-N 3.35Å; D531-E534 PolarHBondContact O-N 3.47Å; D531-K535 VanDerWaalsContact O-CB 3.27Å; D531-K535 WeakPolarHBondContact O-CB 3.4Å; D531-K535 PolarHBondContact O-N 3.39Å; D531-K541 WeakPolarHBondContact OD1-CE 3.33Å; D531-K541 IonicContact OD1-NZ 2.9Å; D531-K541 PolarHBondContact OD1-NZ 2.97Å
532	V	87.9	Confident	84.7	Confident	15 Å²	15	47.4 Å²	47.4	9%	0.091	24%	0.237	C	C	.	.	H	α-helix	trans	-65.4	-41.5	177.4	169	0	0	0	0	110.7	I504 L511 I512 T528 Y536	I504-V532 HydrophobicContact CG2-CG1 3.97Å; L511-V532 HydrophobicContact CB-CG1 3.8Å; L511-V532 HydrophobicContact CD1-CG1 4.23Å; I512-V532 HydrophobicContact CD1-CG1 4.43Å; I512-V532 HydrophobicContact CG1-CG1 4.16Å; I512-V532 HydrophobicContact CG1-CG2 4.2Å; T528-V532 HydrophobicContact CG2-CG2 4.46Å; T528-V532 WeakPolarHBondContact O-CB 3.46Å; T528-V532 WeakPolarHBondContact O-CG2 3.41Å; T528-V532 PolarHBondContact O-N 3.44Å; V532-Y536 HydrophobicContact CG1-CD2 4.17Å; V532-Y536 WeakPolarHBondContact O-CB 3.13Å; V532-Y536 PolarHBondContact O-N 3.14Å
533	A	86.3	Confident	84.5	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-63.4	-42.6	178.1	0	0	0	0	0	112.7	A529 F530 D531 L537 D538 I539 F566	A529-A533 VanDerWaalsContact O-CB 3.22Å; A529-A533 WeakPolarHBondContact O-CB 3.46Å; A529-A533 PolarHBondContact O-N 3.33Å; F530-A533 PolarHBondContact O-N 3.06Å; D531-A533 VanDerWaalsContact C-N 3.35Å; A533-L537 HydrophobicContact CB-CD1 4.5Å; A533-L537 CarbonylContact O-C 3.58Å; A533-L537 WeakPolarHBondContact O-CA 3.4Å; A533-L537 VanDerWaalsContact O-CB 3.31Å; A533-L537 WeakPolarHBondContact O-CB 3.35Å; A533-L537 PolarHBondContact O-N 3Å; A533-L537 VanDerWaalsContact O-N 3.09Å; A533-D538 PolarHBondContact O-N 2.96Å; A533-D538 VanDerWaalsContact O-N 3.15Å; A533-I539 CarbonylContact C-O 3.59Å; A533-I539 HydrophobicContact CB-CB 4.16Å; A533-I539 PolarHBondContact O-N 3Å; A533-F566 HydrophobicContact CB-CE1 3.61Å; A533-F566 HydrophobicContact CB-CZ 3.53Å
534	E	85.1	Confident	84.2	Confident	88 Å²	88	47.7 Å²	47.7	41%	0.411	24%	0.238	S	C	.	.	H	α-helix	trans	-69.5	-45.4	178.5	-177	172.3	-128.3	0	0	112.2	F530 D531 I539 K541	F530-E534 WeakPolarHBondContact O-CB 3.21Å; F530-E534 PolarHBondContact O-N 2.86Å; D531-E534 PolarHBondContact O-N 3.47Å; E534-I539 WeakPolarHBondContact CA-O 3.49Å; E534-I539 PolarHBondContact N-O 2.87Å; E534-K541 HydrophobicContact CB-CG 4.23Å; E534-K541 WeakPolarHBondContact OE2-CD 3.23Å; E534-K541 WeakPolarHBondContact OE2-CE 3.3Å; E534-K541 IonicContact OE2-NZ 3.13Å; E534-K541 PolarHBondContact OE2-NZ 3.16Å
535	K	83.9	Confident	83.8	Confident	156 Å²	156	44.6 Å²	44.6	68%	0.678	22%	0.219	S	C	*	.	H	α-helix	trans	-77.8	-35.8	-172.5	-170.2	175.9	-180	-173.3	0	113.7	D531	D531-K535 VanDerWaalsContact O-CB 3.27Å; D531-K535 WeakPolarHBondContact O-CB 3.4Å; D531-K535 PolarHBondContact O-N 3.39Å
536	Y	81.1	Confident	83	Confident	134 Å²	134	49.4 Å²	49.4	53%	0.525	24%	0.241	S	C	.	.	H	α-helix	trans	-116.5	-19.9	-170.8	-59.2	-73.2	0	0	0	114.2	L511 V532	L511-Y536 HydrophobicContact CD2-CD1 4.2Å; L511-Y536 HydrophobicContact CD2-CD2 4.17Å; L511-Y536 HydrophobicContact CD2-CG 3.87Å; V532-Y536 HydrophobicContact CG1-CD2 4.17Å; V532-Y536 WeakPolarHBondContact O-CB 3.13Å; V532-Y536 PolarHBondContact O-N 3.14Å
537	L	79.4	Confident	82.2	Confident	34 Å²	34	51 Å²	51	18%	0.178	25%	0.25	C	C	.	.	H	α-helix	trans	-112.9	0.2	-179	-51.4	175.8	0	0	0	113.1	I504 R508 L511 A533 I539 F566 F570	I504-L537 HydrophobicContact CG1-CD1 4.35Å; I504-L537 HydrophobicContact CG2-CD1 4.47Å; R508-L537 HydrophobicContact CG-CD2 4.45Å; L511-L537 HydrophobicContact CD1-CD2 3.94Å; L511-L537 HydrophobicContact CD1-CG 4.44Å; A533-L537 HydrophobicContact CB-CD1 4.5Å; A533-L537 CarbonylContact O-C 3.58Å; A533-L537 WeakPolarHBondContact O-CA 3.4Å; A533-L537 VanDerWaalsContact O-CB 3.31Å; A533-L537 WeakPolarHBondContact O-CB 3.35Å; A533-L537 PolarHBondContact O-N 3Å; A533-L537 VanDerWaalsContact O-N 3.09Å; L537-I539 HydrophobicContact CB-CD1 4.05Å; L537-I539 HydrophobicContact CB-CG1 4.05Å; L537-I539 HydrophobicContact CD1-CD1 4.41Å; L537-I539 PolarHBondContact O-N 3.29Å; L537-I539 VanDerWaalsContact O-N 3.16Å; L537-F566 HydrophobicContact CD1-CD1 4.39Å; L537-F566 HydrophobicContact CD1-CE1 4.16Å; L537-F570 HydrophobicContact CD1-CE1 3.69Å; L537-F570 HydrophobicContact CD1-CE2 4.4Å; L537-F570 HydrophobicContact CD1-CZ 3.39Å; L537-F570 HydrophobicContact CD2-CE1 3.88Å; L537-F570 HydrophobicContact CD2-CZ 4.43Å; L537-F570 HydrophobicContact CG-CE1 4.45Å
538	D	79.6	Confident	81.6	Confident	100 Å²	100	48.6 Å²	48.6	54%	0.535	24%	0.237	S	C	.	.			trans	52	28	-174.2	-169.2	35.7	0	0	0	114.3	R367 A533	R367-D538 IonicContact CZ-OD1 3.92Å; R367-D538 IonicContact CZ-OD2 3.6Å; R367-D538 IonicContact NH1-OD1 3.62Å; R367-D538 PolarHBondContact NH1-OD1 3.43Å; R367-D538 IonicContact NH1-OD2 3.92Å; R367-D538 PolarHBondContact NH2-O 3.01Å; R367-D538 IonicContact NH2-OD1 3.32Å; R367-D538 PolarHBondContact NH2-OD1 2.79Å; R367-D538 IonicContact NH2-OD2 2.83Å; R367-D538 PolarHBondContact NH2-OD2 2.75Å; A533-D538 PolarHBondContact O-N 2.96Å; A533-D538 VanDerWaalsContact O-N 3.15Å
539	I	82.4	Confident	81.2	Confident	10 Å²	10	48.2 Å²	48.2	5%	0.051	23%	0.234	C	C	.	.			trans	-93.5	112.6	174.3	-56.1	173.6	0	0	0	108	A533 E534 L537 M542 Y562 F566 A569	A533-I539 CarbonylContact C-O 3.59Å; A533-I539 HydrophobicContact CB-CB 4.16Å; A533-I539 PolarHBondContact O-N 3Å; E534-I539 WeakPolarHBondContact CA-O 3.49Å; E534-I539 PolarHBondContact N-O 2.87Å; L537-I539 HydrophobicContact CB-CD1 4.05Å; L537-I539 HydrophobicContact CB-CG1 4.05Å; L537-I539 HydrophobicContact CD1-CD1 4.41Å; L537-I539 PolarHBondContact O-N 3.29Å; L537-I539 VanDerWaalsContact O-N 3.16Å; I539-M542 HydrophobicContact CG2-CE 3.99Å; I539-Y562 HydrophobicContact CG2-CD2 4.48Å; I539-Y562 HydrophobicContact CG2-CE2 3.83Å; I539-F566 HydrophobicContact CD1-CB 4.49Å; I539-F566 HydrophobicContact CD1-CD1 3.55Å; I539-F566 HydrophobicContact CD1-CE1 3.83Å; I539-F566 HydrophobicContact CD1-CG 3.95Å; I539-F566 HydrophobicContact CD1-CZ 4.44Å; I539-A569 HydrophobicContact CD1-CB 3.64Å; I539-A569 HydrophobicContact CG1-CB 4.05Å
540	P	78.3	Confident	80.1	Confident	26 Å²	26	49.2 Å²	49.2	17%	0.169	25%	0.245	C	C	.	.			trans	-68.8	151.7	-176.3	27.7	-32.8	0	0	0	111.6	M542 Y562	P540-M542 HydrophobicContact CG-CE 4.27Å; P540-M542 HydrophobicContact CG-CG 4.4Å; P540-M542 WeakPolarHBondContact O-CG 3.38Å; P540-M542 PolarHBondContact O-N 2.78Å; P540-Y562 WeakPolarHBondContact O-CE2 3.24Å
541	K	81.1	Confident	79	Confident	81 Å²	81	49.7 Å²	49.7	35%	0.352	25%	0.248	S	C	.	.			trans	-67.3	100.3	175.9	-64.5	180	175.2	138.9	0	111	F530 D531 E534	F530-K541 HydrophobicContact CB-CG 4.21Å; D531-K541 WeakPolarHBondContact OD1-CE 3.33Å; D531-K541 IonicContact OD1-NZ 2.9Å; D531-K541 PolarHBondContact OD1-NZ 2.97Å; E534-K541 HydrophobicContact CB-CG 4.23Å; E534-K541 WeakPolarHBondContact OE2-CD 3.23Å; E534-K541 WeakPolarHBondContact OE2-CE 3.3Å; E534-K541 IonicContact OE2-NZ 3.13Å; E534-K541 PolarHBondContact OE2-NZ 3.16Å
542	M	78.1	Confident	78.1	Confident	8 Å²	8	47.8 Å²	47.8	4%	0.039	24%	0.243	C	C	.	.			trans	-98.6	-11.7	179.3	-63.9	176.9	-103.2	0	0	113.3	T357 A360 W361 I539 P540 Y562 S565	T357-M542 HydrophobicContact CG2-CB 4.09Å; T357-M542 WeakPolarHBondContact CG2-O 3.46Å; T357-M542 PolarHBondContact OG1-O 3.43Å; A360-M542 HydrophobicContact CB-CB 4.16Å; A360-M542 HydrophobicContact CB-CG 3.79Å; W361-M542 HydrophobicContact CB-SD 3.96Å; W361-M542 HydrophobicContact CG-SD 4.48Å; I539-M542 HydrophobicContact CG2-CE 3.99Å; P540-M542 HydrophobicContact CG-CE 4.27Å; P540-M542 HydrophobicContact CG-CG 4.4Å; P540-M542 WeakPolarHBondContact O-CG 3.38Å; P540-M542 PolarHBondContact O-N 2.78Å; M542-Y562 HydrophobicContact CB-CD2 3.77Å; M542-Y562 HydrophobicContact CB-CE2 4.15Å; M542-Y562 HydrophobicContact CE-CD2 3.49Å; M542-Y562 VanDerWaalsContact CE-CD2 3.49Å; M542-Y562 HydrophobicContact CE-CE2 3.86Å; M542-Y562 HydrophobicContact CG-CD2 4.21Å; M542-Y562 HydrophobicContact CG-CE2 4.44Å; M542-Y562 HydrophobicContact SD-CD2 4.22Å; M542-S565 VanDerWaalsContact CE-OG 3.3Å; M542-S565 WeakPolarHBondContact CE-OG 2.98Å
543	L	80.6	Confident	77.4	Confident	14 Å²	14	54.3 Å²	54.3	7%	0.073	27%	0.266	C	S	.	.	S	Bend	trans	-124.6	138.2	-179.7	-58.4	178.5	0	0	0	110.4	T357 F500 F530 I548 A558 I559 Y562	T357-L543 HydrophobicContact CG2-CD2 3.88Å; F500-L543 HydrophobicContact CZ-CD1 4.34Å; F530-L543 WeakPolarHBondContact CD2-O 3.48Å; F530-L543 HydrophobicContact CE2-CB 4.08Å; F530-L543 WeakPolarHBondContact CE2-O 3.23Å; F530-L543 HydrophobicContact CZ-CB 4.06Å; L543-I548 HydrophobicContact CB-CD1 3.92Å; L543-I548 HydrophobicContact CD1-CD1 3.83Å; L543-I548 HydrophobicContact CG-CD1 4.45Å; L543-A558 HydrophobicContact CD2-CB 3.82Å; L543-I559 HydrophobicContact CD1-CG1 4.24Å; L543-Y562 HydrophobicContact CD1-CD1 3.49Å; L543-Y562 VanDerWaalsContact CD1-CD1 3.49Å; L543-Y562 HydrophobicContact CD1-CE1 4.36Å; L543-Y562 HydrophobicContact CD1-CG 3.73Å; L543-Y562 HydrophobicContact CG-CD1 4.02Å; L543-Y562 HydrophobicContact CG-CG 3.95Å
544	D	78.1	Confident	76.9	Confident	81 Å²	81	54.6 Å²	54.6	43%	0.433	27%	0.268	S	S	.	.			trans	-88.9	126.7	173.2	-71.3	-32.7	0	0	0	109.2	K356 E546 D547 I548	K356-D544 IonicContact NZ-OD2 3.95Å; K356-D544 PolarHBondContact NZ-OD2 2.91Å; D544-E546 VanDerWaalsContact C-N 3.27Å; D544-E546 PolarHBondContact O-N 3.18Å; D544-D547 HydrophobicContact CB-CB 4.04Å; D544-D547 PolarHBondContact O-N 2.69Å; D544-D547 VanDerWaalsContact O-N 3.14Å; D544-I548 PolarHBondContact O-N 3.36Å
545	A	78.3	Confident	76.6	Confident	4 Å²	4	53.5 Å²	53.5	3%	0.033	27%	0.265	C	S	.	.	H	α-helix	trans	-61.5	-36.2	-179.8	0	0	0	0	0	112.1	M523 L526 N527 F530 D547 I548 V549	M523-A545 HydrophobicContact CE-CB 3.98Å; M523-A545 HydrophobicContact SD-CB 3.81Å; L526-A545 HydrophobicContact CB-CB 3.75Å; L526-A545 HydrophobicContact CD1-CB 4.46Å; N527-A545 WeakPolarHBondContact OD1-CB 3.4Å; F530-A545 HydrophobicContact CE2-CB 4.23Å; A545-D547 VanDerWaalsContact C-N 3.32Å; A545-D547 PolarHBondContact O-N 3.06Å; A545-I548 PolarHBondContact O-N 2.88Å; A545-V549 WeakPolarHBondContact O-CG2 3.44Å; A545-V549 PolarHBondContact O-N 3.49Å; A545-V549 VanDerWaalsContact O-N 3.07Å
546	E	72.8	Confident	76.4	Confident	103 Å²	103	48.8 Å²	48.8	48%	0.481	25%	0.245	S	C	.	.	H	α-helix	trans	-60.4	-40.8	175.1	-62.6	-172.8	175.9	0	0	111.7	M523 D544 G550	M523-E546 HydrophobicContact CE-CB 4.33Å; M523-E546 HydrophobicContact CE-CG 3.26Å; M523-E546 HydrophobicContact SD-CG 4.23Å; D544-E546 VanDerWaalsContact C-N 3.27Å; D544-E546 PolarHBondContact O-N 3.18Å; E546-G550 WeakPolarHBondContact O-CA 3.32Å; E546-G550 PolarHBondContact O-N 2.86Å
547	D	70.9	Confident	76.4	Confident	33 Å²	33	46.7 Å²	46.7	18%	0.176	24%	0.239	C	C	.	.	H	α-helix	trans	-70.8	-36.4	-178.1	-72.4	-10.3	0	0	0	111.3	K356 D544 A545 T551	K356-D547 IonicContact NZ-OD2 3.07Å; D544-D547 HydrophobicContact CB-CB 4.04Å; D544-D547 PolarHBondContact O-N 2.69Å; D544-D547 VanDerWaalsContact O-N 3.14Å; A545-D547 VanDerWaalsContact C-N 3.32Å; A545-D547 PolarHBondContact O-N 3.06Å; D547-T551 WeakPolarHBondContact O-CB 3.39Å; D547-T551 PolarHBondContact O-N 3.47Å; D547-T551 PolarHBondContact O-OG1 3.15Å
548	I	76.6	Confident	76.4	Confident	9 Å²	9	45.4 Å²	45.4	5%	0.046	23%	0.233	C	C	.	.	H	α-helix	trans	-71.5	-46.8	177.6	-63.7	175	0	0	0	111.2	L526 F530 L543 D544 A545 P554	L526-I548 HydrophobicContact CD1-CB 3.99Å; L526-I548 HydrophobicContact CD1-CG2 3.83Å; L526-I548 HydrophobicContact CD2-CD1 4.16Å; L526-I548 HydrophobicContact CD2-CG2 4.49Å; F530-I548 HydrophobicContact CE2-CD1 4.17Å; F530-I548 HydrophobicContact CZ-CD1 3.69Å; L543-I548 HydrophobicContact CB-CD1 3.92Å; L543-I548 HydrophobicContact CD1-CD1 3.83Å; L543-I548 HydrophobicContact CG-CD1 4.45Å; D544-I548 PolarHBondContact O-N 3.36Å; A545-I548 PolarHBondContact O-N 2.88Å; I548-P554 HydrophobicContact CG2-CB 4.48Å; I548-P554 HydrophobicContact CG2-CG 4Å
549	V	78.8	Confident	76.6	Confident	37 Å²	37	40.8 Å²	40.8	22%	0.224	21%	0.208	C	C	.	.	H	α-helix	trans	-69	-42.4	-178.4	178.5	0	0	0	0	110.7	K495 P522 M523 L526 A545 T551	K495-V549 WeakPolarHBondContact CE-O 3.4Å; K495-V549 PolarHBondContact NZ-O 3.42Å; P522-V549 HydrophobicContact CB-CG2 3.99Å; P522-V549 HydrophobicContact CG-CG1 3.99Å; P522-V549 HydrophobicContact CG-CG2 4.09Å; M523-V549 HydrophobicContact SD-CG2 4.39Å; L526-V549 HydrophobicContact CD1-CG2 3.52Å; A545-V549 WeakPolarHBondContact O-CG2 3.44Å; A545-V549 PolarHBondContact O-N 3.49Å; A545-V549 VanDerWaalsContact O-N 3.07Å; V549-T551 VanDerWaalsContact C-N 3.32Å; V549-T551 PolarHBondContact O-N 2.78Å
550	G	64.1	Low	76.6	Confident	21 Å²	21	40.5 Å²	40.5	22%	0.216	21%	0.207	C	C	.	.	H	α-helix	trans	-69.7	-21.9	-177.9	0	0	0	0	0	114.6	E546	E546-G550 WeakPolarHBondContact O-CA 3.32Å; E546-G550 PolarHBondContact O-N 2.86Å
551	T	69	Low	76.8	Confident	12 Å²	12	39.3 Å²	39.3	7%	0.074	20%	0.199	C	C	.	.			trans	-91.4	135.1	-177.4	-49.9	0	0	0	0	112.3	K353 K495 D547 V549 R553	K353-T551 PolarHBondContact NZ-OG1 2.95Å; K495-T551 WeakPolarHBondContact CE-O 3.47Å; K495-T551 PolarHBondContact NZ-O 3.26Å; D547-T551 WeakPolarHBondContact O-CB 3.39Å; D547-T551 PolarHBondContact O-N 3.47Å; D547-T551 PolarHBondContact O-OG1 3.15Å; V549-T551 VanDerWaalsContact C-N 3.32Å; V549-T551 PolarHBondContact O-N 2.78Å; T551-R553 VanDerWaalsContact C-N 3.32Å; T551-R553 VanDerWaalsContact CG2-O 3.24Å; T551-R553 WeakPolarHBondContact CG2-O 3.34Å; T551-R553 PolarHBondContact O-N 3.41Å
552	A	67.6	Low	77.1	Confident	38 Å²	38	35.4 Å²	35.4	31%	0.314	18%	0.182	S	C	.	.	S	Bend	trans	-59.2	-42.6	175.4	0	0	0	0	0	112.3
553	R	72.6	Confident	77.5	Confident	151 Å²	151	35 Å²	35	57%	0.57	18%	0.18	S	C	*	.	S	Bend	trans	-130.9	104.5	174	-171.6	177	-175.1	-174.9	-0.5	109.9	H491 I492 T551	H491-R553 HydrophobicContact CB-CG 3.93Å; H491-R553 PolarHBondContact CD2-NE 3.27Å; H491-R553 PolarHBondContact CD2-NH2 2.85Å; H491-R553 PolarHBondContact NE2-NE 2.85Å; H491-R553 PolarHBondContact NE2-NH2 3.29Å; I492-R553 HydrophobicContact CD1-CG 4.48Å; I492-R553 HydrophobicContact CG1-CG 4.34Å; T551-R553 VanDerWaalsContact C-N 3.32Å; T551-R553 VanDerWaalsContact CG2-O 3.24Å; T551-R553 WeakPolarHBondContact CG2-O 3.34Å; T551-R553 PolarHBondContact O-N 3.41Å
554	P	76.9	Confident	77.7	Confident	7 Å²	7	34.4 Å²	34.4	5%	0.045	18%	0.177	C	C	.	.			trans	-56.3	149.5	174.2	-28.2	37.8	0	0	0	112.3	H491 K495 I548 E556 I559	H491-P554 WeakPolarHBondContact CB-O 3.39Å; H491-P554 WeakPolarHBondContact O-CG 3.27Å; K495-P554 HydrophobicContact CB-CG 4.44Å; I548-P554 HydrophobicContact CG2-CB 4.48Å; I548-P554 HydrophobicContact CG2-CG 4Å; P554-E556 PolarHBondContact O-N 3.42Å; P554-I559 HydrophobicContact CB-CD1 3.37Å; P554-I559 HydrophobicContact CB-CG1 4.47Å; P554-I559 HydrophobicContact CG-CD1 4.32Å
555	D	78.1	Confident	77.9	Confident	64 Å²	64	31.6 Å²	31.6	34%	0.342	16%	0.164	S	C	.	.			trans	-68	126.5	-177.7	-177.3	77.7	0	0	0	111.4	K557 A558 I559	D555-K557 PolarHBondContact O-N 3.41Å; D555-K557 WeakPolarHBondContact OD2-CB 3.46Å; D555-K557 PolarHBondContact OD2-N 3.17Å; D555-K557 VanDerWaalsContact OD2-N 3.07Å; D555-A558 HydrophobicContact CB-CB 3.98Å; D555-A558 PolarHBondContact O-N 2.93Å; D555-A558 PolarHBondContact OD2-N 3.43Å; D555-I559 PolarHBondContact O-N 2.8Å; D555-I559 VanDerWaalsContact O-N 3.13Å
556	E	80.7	Confident	78.2	Confident	58 Å²	58	31.5 Å²	31.5	27%	0.271	16%	0.163	S	C	.	.	H	α-helix	trans	-66.1	-38.9	-173.7	-167.3	-178.8	-174.9	0	0	112	K468 F490 P554 M560	K468-E556 WeakPolarHBondContact CE-OE1 3.48Å; K468-E556 IonicContact NZ-OE1 3.57Å; K468-E556 PolarHBondContact NZ-OE1 3.24Å; K468-E556 IonicContact NZ-OE2 2.65Å; F490-E556 HydrophobicContact CB-CG 3.87Å; F490-E556 WeakPolarHBondContact O-CA 3.36Å; P554-E556 PolarHBondContact O-N 3.42Å; E556-M560 HydrophobicContact CG-SD 4.18Å; E556-M560 WeakPolarHBondContact O-CB 3.47Å; E556-M560 WeakPolarHBondContact O-CG 3.45Å; E556-M560 PolarHBondContact O-N 2.98Å
557	K	79.9	Confident	78.6	Confident	89 Å²	89	28 Å²	28	39%	0.387	15%	0.145	S	C	.	.	H	α-helix	trans	-71.2	-39.3	-178.6	-63.9	-175.4	173.9	-168.9	0	111	W449 D555 M560 T561	W449-K557 HydrophobicContact CD2-CB 4.47Å; W449-K557 HydrophobicContact CD2-CD 3.67Å; W449-K557 HydrophobicContact CD2-CG 4.19Å; W449-K557 HydrophobicContact CE3-CB 3.88Å; W449-K557 HydrophobicContact CE3-CD 3.92Å; W449-K557 HydrophobicContact CE3-CG 4.08Å; W449-K557 HydrophobicContact CG-CD 4.16Å; W449-K557 HydrophobicContact CH2-CB 3.81Å; W449-K557 HydrophobicContact CH2-CD 4.23Å; W449-K557 HydrophobicContact CH2-CG 3.66Å; W449-K557 HydrophobicContact CZ2-CB 4.41Å; W449-K557 HydrophobicContact CZ2-CD 4.01Å; W449-K557 HydrophobicContact CZ2-CG 3.79Å; W449-K557 HydrophobicContact CZ3-CB 3.52Å; W449-K557 HydrophobicContact CZ3-CD 4.19Å; W449-K557 HydrophobicContact CZ3-CG 3.82Å; D555-K557 PolarHBondContact O-N 3.41Å; D555-K557 WeakPolarHBondContact OD2-CB 3.46Å; D555-K557 PolarHBondContact OD2-N 3.17Å; D555-K557 VanDerWaalsContact OD2-N 3.07Å; K557-M560 PolarHBondContact O-N 2.94Å; K557-T561 WeakPolarHBondContact O-CB 3.45Å; K557-T561 PolarHBondContact O-N 3.46Å; K557-T561 PolarHBondContact O-OG1 3.15Å
558	A	79.3	Confident	78.9	Confident	8 Å²	8	29.2 Å²	29.2	7%	0.066	15%	0.15	C	C	.	.	H	α-helix	trans	-63.1	-46.8	176.9	0	0	0	0	0	111.7	T357 L543 D555 T561 Y562	T357-A558 HydrophobicContact CG2-CB 4.05Å; L543-A558 HydrophobicContact CD2-CB 3.82Å; D555-A558 HydrophobicContact CB-CB 3.98Å; D555-A558 PolarHBondContact O-N 2.93Å; D555-A558 PolarHBondContact OD2-N 3.43Å; A558-T561 PolarHBondContact O-N 2.95Å; A558-Y562 PolarHBondContact O-N 3.08Å; A558-Y562 VanDerWaalsContact O-N 3.16Å
559	I	84.9	Confident	78.8	Confident	2 Å²	2	30.7 Å²	30.7	1%	0.01	16%	0.163	C	C	.	.	H	α-helix	trans	-67.2	-43.6	176.8	-70.8	169.3	0	0	0	111.2	F490 W494 F500 L543 P554 D555 T561 Y562 V563	F490-I559 HydrophobicContact CB-CG2 4.08Å; F490-I559 HydrophobicContact CD1-CG2 4.3Å; F490-I559 WeakPolarHBondContact O-CB 3.35Å; F490-I559 VanDerWaalsContact O-CD1 3.28Å; F490-I559 WeakPolarHBondContact O-CD1 3.21Å; F490-I559 WeakPolarHBondContact O-CG2 3.24Å; W494-I559 HydrophobicContact CB-CD1 4.3Å; W494-I559 HydrophobicContact CB-CG2 4.39Å; W494-I559 HydrophobicContact CD2-CG2 4.29Å; W494-I559 HydrophobicContact CG-CG2 3.94Å; F500-I559 HydrophobicContact CZ-CG2 4.43Å; L543-I559 HydrophobicContact CD1-CG1 4.24Å; P554-I559 HydrophobicContact CB-CD1 3.37Å; P554-I559 HydrophobicContact CB-CG1 4.47Å; P554-I559 HydrophobicContact CG-CD1 4.32Å; D555-I559 PolarHBondContact O-N 2.8Å; D555-I559 VanDerWaalsContact O-N 3.13Å; I559-T561 VanDerWaalsContact C-N 3.29Å; I559-T561 PolarHBondContact O-N 3.46Å; I559-Y562 PolarHBondContact O-N 3.3Å; I559-Y562 VanDerWaalsContact O-N 3.16Å; I559-V563 HydrophobicContact CG2-CG2 3.82Å; I559-V563 WeakPolarHBondContact O-CB 3.39Å; I559-V563 VanDerWaalsContact O-CG2 3.25Å; I559-V563 WeakPolarHBondContact O-CG2 3.43Å; I559-V563 PolarHBondContact O-N 3.36Å
560	M	82.2	Confident	78.5	Confident	5 Å²	5	29.5 Å²	29.5	3%	0.025	16%	0.155	C	C	.	.	H	α-helix	trans	-57.1	-42.8	176.7	-78.9	179.2	64.8	0	0	112.2	W449 I457 K468 F490 E556 K557 Y562 S564	W449-M560 HydrophobicContact CH2-CE 4.47Å; I457-M560 HydrophobicContact CD1-CB 4.2Å; I457-M560 HydrophobicContact CD1-CE 4.11Å; I457-M560 HydrophobicContact CG2-CE 4.16Å; K468-M560 HydrophobicContact CB-CE 4.1Å; K468-M560 HydrophobicContact CD-CE 4.25Å; K468-M560 HydrophobicContact CD-SD 4.31Å; K468-M560 HydrophobicContact CG-CE 3.77Å; K468-M560 HydrophobicContact CG-SD 4.21Å; F490-M560 HydrophobicContact CB-CG 3.57Å; F490-M560 HydrophobicContact CD1-CG 3.89Å; F490-M560 HydrophobicContact CD2-CG 3.44Å; F490-M560 VanDerWaalsContact CD2-CG 3.44Å; F490-M560 HydrophobicContact CD2-SD 3.87Å; F490-M560 HydrophobicContact CE1-CG 4.42Å; F490-M560 HydrophobicContact CE2-CG 4.02Å; F490-M560 HydrophobicContact CE2-SD 4.4Å; F490-M560 HydrophobicContact CG-CG 3.36Å; F490-M560 HydrophobicContact CG-SD 4.34Å; F490-M560 HydrophobicContact CZ-CG 4.47Å; E556-M560 HydrophobicContact CG-SD 4.18Å; E556-M560 WeakPolarHBondContact O-CB 3.47Å; E556-M560 WeakPolarHBondContact O-CG 3.45Å; E556-M560 PolarHBondContact O-N 2.98Å; K557-M560 PolarHBondContact O-N 2.94Å; M560-Y562 VanDerWaalsContact C-N 3.31Å; M560-Y562 PolarHBondContact O-N 3.04Å; M560-S564 VanDerWaalsContact O-CB 3.27Å; M560-S564 WeakPolarHBondContact O-CB 3.35Å; M560-S564 PolarHBondContact O-N 3.42Å; M560-S564 PolarHBondContact O-OG 3.34Å
561	T	82.5	Confident	78.4	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-64	-37.9	178.5	-54.4	0	0	0	0	111.8	W361 I452 K557 A558 I559 S564 S565	W361-T561 HydrophobicContact CB-CG2 4.24Å; W361-T561 HydrophobicContact CG-CG2 3.97Å; I452-T561 HydrophobicContact CD1-CG2 4.19Å; I452-T561 HydrophobicContact CG2-CG2 3.94Å; K557-T561 WeakPolarHBondContact O-CB 3.45Å; K557-T561 PolarHBondContact O-N 3.46Å; K557-T561 PolarHBondContact O-OG1 3.15Å; A558-T561 PolarHBondContact O-N 2.95Å; I559-T561 VanDerWaalsContact C-N 3.29Å; I559-T561 PolarHBondContact O-N 3.46Å; T561-S564 PolarHBondContact O-OG 2.98Å; T561-S565 PolarHBondContact O-N 3.04Å; T561-S565 PolarHBondContact O-OG 3.02Å
562	Y	86.6	Confident	77.6	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-76.1	-44	179.3	-163.6	-125.6	0	0	0	112.1	F500 F530 I539 P540 M542 L543 A558 I559 M560 S564 S565 F566	F500-Y562 HydrophobicContact CD1-CD1 4.42Å; F500-Y562 AromaticContact CE1-CD1 3.7Å; F500-Y562 HydrophobicContact CE1-CD1 3.7Å; F500-Y562 HydrophobicContact CE1-CE1 4.23Å; F500-Y562 HydrophobicContact CZ-CD1 4.07Å; F530-Y562 AromaticContact CD1-CE1 3.48Å; F530-Y562 HydrophobicContact CD1-CE1 3.48Å; F530-Y562 VanDerWaalsContact CD1-CE1 3.48Å; F530-Y562 AromaticContact CD1-CZ 3.91Å; F530-Y562 WeakPolarHBondContact CD1-OH 3.15Å; F530-Y562 HydrophobicContact CE1-CD1 4.14Å; F530-Y562 AromaticContact CE1-CE1 3.37Å; F530-Y562 HydrophobicContact CE1-CE1 3.37Å; F530-Y562 HydrophobicContact CG-CE1 4.38Å; F530-Y562 HydrophobicContact CZ-CE1 4.18Å; I539-Y562 HydrophobicContact CG2-CD2 4.48Å; I539-Y562 HydrophobicContact CG2-CE2 3.83Å; P540-Y562 WeakPolarHBondContact O-CE2 3.24Å; M542-Y562 HydrophobicContact CB-CD2 3.77Å; M542-Y562 HydrophobicContact CB-CE2 4.15Å; M542-Y562 HydrophobicContact CE-CD2 3.49Å; M542-Y562 VanDerWaalsContact CE-CD2 3.49Å; M542-Y562 HydrophobicContact CE-CE2 3.86Å; M542-Y562 HydrophobicContact CG-CD2 4.21Å; M542-Y562 HydrophobicContact CG-CE2 4.44Å; M542-Y562 HydrophobicContact SD-CD2 4.22Å; L543-Y562 HydrophobicContact CD1-CD1 3.49Å; L543-Y562 VanDerWaalsContact CD1-CD1 3.49Å; L543-Y562 HydrophobicContact CD1-CE1 4.36Å; L543-Y562 HydrophobicContact CD1-CG 3.73Å; L543-Y562 HydrophobicContact CG-CD1 4.02Å; L543-Y562 HydrophobicContact CG-CG 3.95Å; A558-Y562 PolarHBondContact O-N 3.08Å; A558-Y562 VanDerWaalsContact O-N 3.16Å; I559-Y562 PolarHBondContact O-N 3.3Å; I559-Y562 VanDerWaalsContact O-N 3.16Å; M560-Y562 VanDerWaalsContact C-N 3.31Å; M560-Y562 PolarHBondContact O-N 3.04Å; Y562-S564 VanDerWaalsContact C-N 3.33Å; Y562-S564 PolarHBondContact O-N 3.39Å; Y562-S565 WeakPolarHBondContact O-CB 3.24Å; Y562-S565 PolarHBondContact O-N 3.36Å; Y562-S565 VanDerWaalsContact O-N 3.11Å; Y562-F566 HydrophobicContact CD1-CD2 4.44Å; Y562-F566 AromaticContact CD1-CE2 3.76Å; Y562-F566 HydrophobicContact CD1-CE2 3.76Å; Y562-F566 HydrophobicContact CE1-CD2 4.48Å; Y562-F566 AromaticContact CE1-CE2 3.43Å; Y562-F566 HydrophobicContact CE1-CE2 3.43Å; Y562-F566 VanDerWaalsContact CE1-CE2 3.43Å; Y562-F566 HydrophobicContact CE1-CZ 4.06Å; Y562-F566 HydrophobicContact CE2-CE2 4.43Å; Y562-F566 HydrophobicContact CG-CE2 4.41Å; Y562-F566 AromaticContact CZ-CE2 3.81Å; Y562-F566 WeakPolarHBondContact O-CD2 3.38Å; Y562-F566 PolarHBondContact O-N 3.29Å
563	V	87.2	Confident	76.7	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-65.2	-35.8	176.7	175.4	0	0	0	0	111.6	L471 C475 F490 W494 F500 I559 S565 F566 Y567	L471-V563 HydrophobicContact CD1-CG1 4.35Å; L471-V563 HydrophobicContact CG-CG1 4.48Å; C475-V563 VanDerWaalsContact SG-CG1 3.51Å; F490-V563 HydrophobicContact CE1-CB 4.43Å; F490-V563 HydrophobicContact CE1-CG1 4.06Å; W494-V563 HydrophobicContact CD2-CG2 4.22Å; W494-V563 HydrophobicContact CE3-CG2 4.08Å; W494-V563 HydrophobicContact CH2-CB 4.22Å; W494-V563 HydrophobicContact CH2-CG1 3.63Å; W494-V563 HydrophobicContact CH2-CG2 3.43Å; W494-V563 VanDerWaalsContact CH2-CG2 3.43Å; W494-V563 HydrophobicContact CZ2-CB 4.44Å; W494-V563 HydrophobicContact CZ2-CG1 3.89Å; W494-V563 HydrophobicContact CZ2-CG2 3.67Å; W494-V563 HydrophobicContact CZ3-CG2 3.68Å; F500-V563 HydrophobicContact CE1-CG2 3.63Å; F500-V563 HydrophobicContact CZ-CG2 4.16Å; I559-V563 HydrophobicContact CG2-CG2 3.82Å; I559-V563 WeakPolarHBondContact O-CB 3.39Å; I559-V563 VanDerWaalsContact O-CG2 3.25Å; I559-V563 WeakPolarHBondContact O-CG2 3.43Å; I559-V563 PolarHBondContact O-N 3.36Å; V563-S565 PolarHBondContact O-N 2.96Å; V563-F566 WeakPolarHBondContact O-CB 3.37Å; V563-F566 PolarHBondContact O-N 2.83Å; V563-Y567 PolarHBondContact O-N 2.89Å
564	S	83.9	Confident	75.5	Confident	1 Å²	1	26.7 Å²	26.7	1%	0.007	16%	0.155	C	C	.	.	H	α-helix	trans	-64.7	-30.6	173.6	69.5	0	0	0	0	112.1	M560 T561 Y562 Y567 H568	M560-S564 VanDerWaalsContact O-CB 3.27Å; M560-S564 WeakPolarHBondContact O-CB 3.35Å; M560-S564 PolarHBondContact O-N 3.42Å; M560-S564 PolarHBondContact O-OG 3.34Å; T561-S564 PolarHBondContact O-OG 2.98Å; Y562-S564 VanDerWaalsContact C-N 3.33Å; Y562-S564 PolarHBondContact O-N 3.39Å; S564-Y567 CarbonylContact O-C 3.59Å; S564-Y567 WeakPolarHBondContact O-CB 3.44Å; S564-Y567 PolarHBondContact O-N 2.8Å; S564-H568 PolarHBondContact O-CD2 2.87Å; S564-H568 PolarHBondContact O-N 3.49Å
565	S	83.4	Confident	74.3	Confident	21 Å²	21	31.1 Å²	31.1	15%	0.147	17%	0.173	C	C	.	.	H	α-helix	trans	-67.4	-37.7	173.5	-57	0	0	0	0	111.8	M542 T561 Y562 V563 H568 A569	M542-S565 VanDerWaalsContact CE-OG 3.3Å; M542-S565 WeakPolarHBondContact CE-OG 2.98Å; T561-S565 PolarHBondContact O-N 3.04Å; T561-S565 PolarHBondContact O-OG 3.02Å; Y562-S565 WeakPolarHBondContact O-CB 3.24Å; Y562-S565 PolarHBondContact O-N 3.36Å; Y562-S565 VanDerWaalsContact O-N 3.11Å; V563-S565 PolarHBondContact O-N 2.96Å; S565-H568 PolarHBondContact O-N 2.99Å; S565-A569 WeakPolarHBondContact O-CB 3.46Å; S565-A569 PolarHBondContact O-N 2.86Å
566	F	84.2	Confident	72.8	Confident	3 Å²	3	28.9 Å²	28.9	1%	0.013	16%	0.163	C	C	.	.	H	α-helix	trans	-65	-40.5	168.8	-75	-79	0	0	0	112.2	F500 I504 A533 L537 I539 Y562 V563 H568 A569 F570	F500-F566 HydrophobicContact CD1-CD2 4.35Å; F500-F566 AromaticContact CD1-CE2 3.89Å; F500-F566 HydrophobicContact CD1-CE2 3.89Å; F500-F566 HydrophobicContact CE1-CE2 4.22Å; I504-F566 HydrophobicContact CD1-CE1 3.69Å; I504-F566 HydrophobicContact CD1-CZ 4.12Å; I504-F566 HydrophobicContact CG1-CD1 4.19Å; I504-F566 HydrophobicContact CG1-CE1 3.66Å; I504-F566 HydrophobicContact CG1-CZ 4.48Å; A533-F566 HydrophobicContact CB-CE1 3.61Å; A533-F566 HydrophobicContact CB-CZ 3.53Å; L537-F566 HydrophobicContact CD1-CD1 4.39Å; L537-F566 HydrophobicContact CD1-CE1 4.16Å; I539-F566 HydrophobicContact CD1-CB 4.49Å; I539-F566 HydrophobicContact CD1-CD1 3.55Å; I539-F566 HydrophobicContact CD1-CE1 3.83Å; I539-F566 HydrophobicContact CD1-CG 3.95Å; I539-F566 HydrophobicContact CD1-CZ 4.44Å; Y562-F566 HydrophobicContact CD1-CD2 4.44Å; Y562-F566 AromaticContact CD1-CE2 3.76Å; Y562-F566 HydrophobicContact CD1-CE2 3.76Å; Y562-F566 HydrophobicContact CE1-CD2 4.48Å; Y562-F566 AromaticContact CE1-CE2 3.43Å; Y562-F566 HydrophobicContact CE1-CE2 3.43Å; Y562-F566 VanDerWaalsContact CE1-CE2 3.43Å; Y562-F566 HydrophobicContact CE1-CZ 4.06Å; Y562-F566 HydrophobicContact CE2-CE2 4.43Å; Y562-F566 HydrophobicContact CG-CE2 4.41Å; Y562-F566 AromaticContact CZ-CE2 3.81Å; Y562-F566 WeakPolarHBondContact O-CD2 3.38Å; Y562-F566 PolarHBondContact O-N 3.29Å; V563-F566 WeakPolarHBondContact O-CB 3.37Å; V563-F566 PolarHBondContact O-N 2.83Å; F566-H568 PolarHBondContact O-N 3.21Å; F566-A569 PolarHBondContact O-N 3Å; F566-F570 HydrophobicContact CB-CD2 4.15Å; F566-F570 HydrophobicContact CB-CE2 4.12Å; F566-F570 HydrophobicContact CD1-CD2 4.39Å; F566-F570 AromaticContact CD1-CE2 3.58Å; F566-F570 HydrophobicContact CD1-CE2 3.58Å; F566-F570 HydrophobicContact CD1-CZ 4.11Å; F566-F570 HydrophobicContact CG-CE2 4.31Å; F566-F570 WeakPolarHBondContact O-CB 3.3Å; F566-F570 WeakPolarHBondContact O-CD2 3.47Å; F566-F570 WeakPolarHBondContact O-CG 3.36Å; F566-F570 PolarHBondContact O-N 3.24Å
567	Y	81.3	Confident	71.3	Confident	29 Å²	29	31.5 Å²	31.5	11%	0.114	18%	0.176	C	C	.	.	H	α-helix	trans	-59.1	-45.9	173.6	178.8	-87.5	0	0	0	110.8	I460 L471 W474 V563 S564 S571	I460-Y567 HydrophobicContact CB-CE1 4.26Å; I460-Y567 HydrophobicContact CD1-CD1 3.5Å; I460-Y567 VanDerWaalsContact CD1-CD1 3.5Å; I460-Y567 HydrophobicContact CD1-CE1 3.87Å; I460-Y567 HydrophobicContact CD1-CG 3.94Å; I460-Y567 HydrophobicContact CG1-CD1 3.8Å; I460-Y567 HydrophobicContact CG1-CE1 3.62Å; I460-Y567 HydrophobicContact CG2-CD1 4.37Å; I460-Y567 HydrophobicContact CG2-CD2 4.34Å; I460-Y567 HydrophobicContact CG2-CE1 3.88Å; I460-Y567 HydrophobicContact CG2-CE2 3.84Å; L471-Y567 HydrophobicContact CD1-CD2 3.99Å; L471-Y567 HydrophobicContact CD1-CG 3.97Å; W474-Y567 HydrophobicContact CB-CE2 4.47Å; W474-Y567 AromaticContact CD1-CE2 3.8Å; W474-Y567 AromaticContact CD2-CD2 3.58Å; W474-Y567 HydrophobicContact CD2-CD2 3.58Å; W474-Y567 HydrophobicContact CD2-CE2 4.13Å; W474-Y567 AromaticContact CE2-CD2 3.68Å; W474-Y567 AromaticContact CE3-CD2 3.92Å; W474-Y567 HydrophobicContact CE3-CD2 3.92Å; W474-Y567 AromaticContact CG-CD2 3.84Å; W474-Y567 HydrophobicContact CG-CD2 3.84Å; W474-Y567 AromaticContact CG-CE2 3.91Å; W474-Y567 HydrophobicContact CG-CE2 3.91Å; W474-Y567 HydrophobicContact CH2-CD2 4.44Å; W474-Y567 HydrophobicContact CZ2-CD2 4.13Å; W474-Y567 HydrophobicContact CZ3-CD2 4.34Å; W474-Y567 AromaticContact NE1-CD2 3.92Å; W474-Y567 AromaticContact NE1-CE2 3.94Å; V563-Y567 PolarHBondContact O-N 2.89Å; S564-Y567 CarbonylContact O-C 3.59Å; S564-Y567 WeakPolarHBondContact O-CB 3.44Å; S564-Y567 PolarHBondContact O-N 2.8Å; Y567-S571 VanDerWaalsContact O-CA 3.29Å; Y567-S571 WeakPolarHBondContact O-CA 3.46Å; Y567-S571 WeakPolarHBondContact O-CB 3.24Å; Y567-S571 PolarHBondContact O-N 2.64Å; Y567-S571 PolarHBondContact O-OG 2.8Å
568	H	76.5	Confident	70	Confident	59 Å²	59	31.4 Å²	31.4	27%	0.273	18%	0.183	S	C	.	.	H	α-helix	trans	-69.5	-36.5	178.1	-71.6	-57.8	0	0	0	113.6	A456 S564 S565 F566 S571 G572	A456-H568 PolarHBondContact O-NE2 3.4Å; S564-H568 PolarHBondContact O-CD2 2.87Å; S564-H568 PolarHBondContact O-N 3.49Å; S565-H568 PolarHBondContact O-N 2.99Å; F566-H568 PolarHBondContact O-N 3.21Å; H568-S571 WeakPolarHBondContact CA-OG 3.47Å; H568-G572 PolarHBondContact O-N 3.06Å
569	A	74.6	Confident	68.5	Low	39 Å²	39	31.4 Å²	31.4	32%	0.322	18%	0.183	S	C	.	.	H	α-helix	trans	-67	-41	175.9	0	0	0	0	0	112.5	I539 S565 F566	I539-A569 HydrophobicContact CD1-CB 3.64Å; I539-A569 HydrophobicContact CG1-CB 4.05Å; S565-A569 WeakPolarHBondContact O-CB 3.46Å; S565-A569 PolarHBondContact O-N 2.86Å; F566-A569 PolarHBondContact O-N 3Å
570	F	73.9	Confident	67	Low	12 Å²	12	31.6 Å²	31.6	5%	0.053	19%	0.185	C	C	.	.	H	α-helix	trans	-86.8	-30	179.5	-62.5	-46.8	0	0	0	113.3	W474 I504 H507 R508 L537 F566 G572 A573 Q574	W474-F570 HydrophobicContact CH2-CD2 4.31Å; W474-F570 HydrophobicContact CZ2-CB 4.41Å; I504-F570 HydrophobicContact CB-CZ 4.37Å; I504-F570 HydrophobicContact CG1-CE2 4.38Å; I504-F570 HydrophobicContact CG1-CZ 4.1Å; H507-F570 HydrophobicContact CB-CD1 3.7Å; H507-F570 HydrophobicContact CB-CD2 4.43Å; H507-F570 HydrophobicContact CB-CE1 3.93Å; H507-F570 HydrophobicContact CB-CG 3.98Å; H507-F570 HydrophobicContact CB-CZ 4.37Å; H507-F570 AromaticContact CG-CG 3.84Å; H507-F570 AromaticContact ND1-CD2 3.92Å; R508-F570 HydrophobicContact CG-CE1 4.08Å; L537-F570 HydrophobicContact CD1-CE1 3.69Å; L537-F570 HydrophobicContact CD1-CE2 4.4Å; L537-F570 HydrophobicContact CD1-CZ 3.39Å; L537-F570 HydrophobicContact CD2-CE1 3.88Å; L537-F570 HydrophobicContact CD2-CZ 4.43Å; L537-F570 HydrophobicContact CG-CE1 4.45Å; F566-F570 HydrophobicContact CB-CD2 4.15Å; F566-F570 HydrophobicContact CB-CE2 4.12Å; F566-F570 HydrophobicContact CD1-CD2 4.39Å; F566-F570 AromaticContact CD1-CE2 3.58Å; F566-F570 HydrophobicContact CD1-CE2 3.58Å; F566-F570 HydrophobicContact CD1-CZ 4.11Å; F566-F570 HydrophobicContact CG-CE2 4.31Å; F566-F570 WeakPolarHBondContact O-CB 3.3Å; F566-F570 WeakPolarHBondContact O-CD2 3.47Å; F566-F570 WeakPolarHBondContact O-CG 3.36Å; F566-F570 PolarHBondContact O-N 3.24Å; F570-G572 VanDerWaalsContact C-N 3.28Å; F570-A573 PolarHBondContact O-N 3.07Å; F570-Q574 PolarHBondContact O-N 3.18Å
571	S	60.6	Low	65.8	Low	3 Å²	3	35.9 Å²	35.9	2%	0.021	21%	0.208	C	C	.	.	H	α-helix	trans	-74.8	-15	167.6	73	0	0	0	0	111.8	Y567 H568 A573 Q574 K575	Y567-S571 VanDerWaalsContact O-CA 3.29Å; Y567-S571 WeakPolarHBondContact O-CA 3.46Å; Y567-S571 WeakPolarHBondContact O-CB 3.24Å; Y567-S571 PolarHBondContact O-N 2.64Å; Y567-S571 PolarHBondContact O-OG 2.8Å; H568-S571 WeakPolarHBondContact CA-OG 3.47Å; S571-A573 VanDerWaalsContact C-N 3.3Å; S571-A573 PolarHBondContact O-N 3.25Å; S571-Q574 CarbonylContact O-C 3.59Å; S571-Q574 PolarHBondContact O-N 2.98Å; S571-K575 WeakPolarHBondContact O-CA 3.47Å; S571-K575 WeakPolarHBondContact O-CB 3.47Å; S571-K575 WeakPolarHBondContact O-CG 3.41Å; S571-K575 PolarHBondContact O-N 3.41Å
572	G	52.6	Low	64.8	Low	36 Å²	36	39.8 Å²	39.8	37%	0.371	22%	0.223	S	C	.	.	H	α-helix	trans	-60.2	-43.2	168.2	0	0	0	0	0	111.4	H568 F570 A576	H568-G572 PolarHBondContact O-N 3.06Å; F570-G572 VanDerWaalsContact C-N 3.28Å; G572-A576 VanDerWaalsContact O-CB 3.32Å; G572-A576 WeakPolarHBondContact O-CB 3.47Å; G572-A576 PolarHBondContact O-N 3.18Å
573	A	48	Very low	63.7	Low	55 Å²	55	39.9 Å²	39.9	46%	0.455	22%	0.223	S	C	.	.	H	α-helix	trans	-70.4	-38.7	172.9	0	0	0	0	0	112.3	F570 S571 A576 E577	F570-A573 PolarHBondContact O-N 3.07Å; S571-A573 VanDerWaalsContact C-N 3.3Å; S571-A573 PolarHBondContact O-N 3.25Å; A573-A576 PolarHBondContact O-N 2.71Å; A573-E577 VanDerWaalsContact O-CB 3.3Å; A573-E577 WeakPolarHBondContact O-CB 3.29Å; A573-E577 PolarHBondContact O-N 3.2Å
574	Q	48.5	Very low	62.7	Low	69 Å²	69	40.8 Å²	40.8	32%	0.322	23%	0.229	S	C	.	.	H	α-helix	trans	-73.1	-30.3	177.4	-141.7	175.9	-5.1	0	0	112.4	F570 S571 E577 T578	F570-Q574 PolarHBondContact O-N 3.18Å; S571-Q574 CarbonylContact O-C 3.59Å; S571-Q574 PolarHBondContact O-N 2.98Å; Q574-E577 CarbonylContact O-C 3.54Å; Q574-E577 PolarHBondContact O-N 3.21Å; Q574-T578 VanDerWaalsContact O-CB 3.23Å; Q574-T578 WeakPolarHBondContact O-CB 3.24Å; Q574-T578 PolarHBondContact O-N 2.85Å; Q574-T578 PolarHBondContact O-OG1 3.24Å
575	K	50.7	Low	61.8	Low	100 Å²	100	48.1 Å²	48.1	44%	0.435	26%	0.261	S	S	.	.	H	α-helix	trans	-74.6	-38.2	172.9	-76.2	170	-177.8	179.5	0	109.8	S571 E577 T578 A579	S571-K575 WeakPolarHBondContact O-CA 3.47Å; S571-K575 WeakPolarHBondContact O-CB 3.47Å; S571-K575 WeakPolarHBondContact O-CG 3.41Å; S571-K575 PolarHBondContact O-N 3.41Å; K575-E577 VanDerWaalsContact C-N 3.35Å; K575-T578 PolarHBondContact O-N 3.1Å; K575-A579 WeakPolarHBondContact O-CA 3.37Å; K575-A579 WeakPolarHBondContact O-CB 3.34Å; K575-A579 PolarHBondContact O-N 3.33Å
576	A	47.5	Very low	61	Low	17 Å²	17	48 Å²	48	14%	0.14	26%	0.259	C	S	.	.	H	α-helix	trans	-62.8	-41.9	168.2	0	0	0	0	0	111	G572 A573 A580	G572-A576 VanDerWaalsContact O-CB 3.32Å; G572-A576 WeakPolarHBondContact O-CB 3.47Å; G572-A576 PolarHBondContact O-N 3.18Å; A573-A576 PolarHBondContact O-N 2.71Å; A576-A580 WeakPolarHBondContact O-CA 3.2Å; A576-A580 WeakPolarHBondContact O-CB 3.24Å; A576-A580 PolarHBondContact O-N 3.09Å
577	E	49.9	Very low	60.1	Low	114 Å²	114	48 Å²	48	53%	0.533	26%	0.259	S	S	.	.	H	α-helix	trans	-68.7	-36.1	174.5	-173.4	-176.9	-172	0	0	112.4	A573 Q574 K575 N581	A573-E577 VanDerWaalsContact O-CB 3.3Å; A573-E577 WeakPolarHBondContact O-CB 3.29Å; A573-E577 PolarHBondContact O-N 3.2Å; Q574-E577 CarbonylContact O-C 3.54Å; Q574-E577 PolarHBondContact O-N 3.21Å; K575-E577 VanDerWaalsContact C-N 3.35Å; E577-N581 WeakPolarHBondContact O-CB 3.43Å; E577-N581 PolarHBondContact O-N 2.73Å; E577-N581 PolarHBondContact O-ND2 2.92Å; E577-N581 VanDerWaalsContact O-ND2 3.11Å
578	T	50.9	Low	59.5	Low	86 Å²	86	48.7 Å²	48.7	53%	0.528	27%	0.271	S	S	.	.	H	α-helix	trans	-77.7	-38.4	178.9	-49.7	0	0	0	0	110.6	Q574 K575 N581 R582	Q574-T578 VanDerWaalsContact O-CB 3.23Å; Q574-T578 WeakPolarHBondContact O-CB 3.24Å; Q574-T578 PolarHBondContact O-N 2.85Å; Q574-T578 PolarHBondContact O-OG1 3.24Å; K575-T578 PolarHBondContact O-N 3.1Å; T578-N581 PolarHBondContact O-N 3.05Å; T578-R582 WeakPolarHBondContact O-CB 3.4Å; T578-R582 PolarHBondContact O-N 3.46Å
579	A	49.6	Very low	59.2	Low	8 Å²	8	48.3 Å²	48.3	7%	0.066	27%	0.273	C	S	.	.	H	α-helix	trans	-64.2	-44.1	169.2	0	0	0	0	0	110.7	K575 R582 I583 L1157	K575-A579 WeakPolarHBondContact O-CA 3.37Å; K575-A579 WeakPolarHBondContact O-CB 3.34Å; K575-A579 PolarHBondContact O-N 3.33Å; A579-R582 PolarHBondContact O-N 3.29Å; A579-I583 VanDerWaalsContact O-CB 3.26Å; A579-I583 WeakPolarHBondContact O-CB 3.1Å; A579-I583 WeakPolarHBondContact O-CD1 3.37Å; A579-I583 WeakPolarHBondContact O-CG1 3.22Å; A579-I583 PolarHBondContact O-N 3.45Å; A579-L1157 HydrophobicContact CB-CD1 3.99Å
580	A	52.3	Low	59.1	Low	7 Å²	7	47.3 Å²	47.3	6%	0.058	26%	0.262	C	S	.	.	H	α-helix	trans	-62.1	-48.1	173.1	0	0	0	0	0	110.4	A576 R582 I583 C584 L1173	A576-A580 WeakPolarHBondContact O-CA 3.2Å; A576-A580 WeakPolarHBondContact O-CB 3.24Å; A576-A580 PolarHBondContact O-N 3.09Å; A580-R582 VanDerWaalsContact C-N 3.32Å; A580-R582 PolarHBondContact O-N 3.43Å; A580-I583 CarbonylContact O-C 3.56Å; A580-I583 PolarHBondContact O-N 3.13Å; A580-C584 VanDerWaalsContact O-CB 3.23Å; A580-C584 WeakPolarHBondContact O-CB 3.36Å; A580-C584 PolarHBondContact O-N 3.26Å; A580-C584 PolarHBondContact O-SG 3.4Å; A580-L1173 HydrophobicContact CB-CD2 4.17Å
581	N	56.8	Low	59	Low	95 Å²	95	50.8 Å²	50.8	51%	0.508	28%	0.279	S	S	.	.	H	α-helix	trans	-62.6	-36.6	176.2	-76.3	-29.3	0	0	0	112.6	E577 T578 C584 K585	E577-N581 WeakPolarHBondContact O-CB 3.43Å; E577-N581 PolarHBondContact O-N 2.73Å; E577-N581 PolarHBondContact O-ND2 2.92Å; E577-N581 VanDerWaalsContact O-ND2 3.11Å; T578-N581 PolarHBondContact O-N 3.05Å; N581-C584 PolarHBondContact O-N 3.1Å; N581-K585 VanDerWaalsContact O-CB 3.3Å; N581-K585 WeakPolarHBondContact O-CB 3.12Å; N581-K585 PolarHBondContact O-N 2.93Å
582	R	62	Low	59.6	Low	82 Å²	82	55.5 Å²	55.5	31%	0.309	30%	0.3	S	S	.	.	H	α-helix	trans	-68.9	-46	176	-157.9	179.5	-162.1	177.6	8.9	110.7	T578 A579 A580 C584 K585 V586 D1145	T578-R582 WeakPolarHBondContact O-CB 3.4Å; T578-R582 PolarHBondContact O-N 3.46Å; A579-R582 PolarHBondContact O-N 3.29Å; A580-R582 VanDerWaalsContact C-N 3.32Å; A580-R582 PolarHBondContact O-N 3.43Å; R582-C584 VanDerWaalsContact C-N 3.33Å; R582-C584 PolarHBondContact O-N 3.06Å; R582-K585 PolarHBondContact O-N 3.45Å; R582-V586 WeakPolarHBondContact O-CB 3.48Å; R582-V586 VanDerWaalsContact O-CG2 3.26Å; R582-V586 WeakPolarHBondContact O-CG2 3.45Å; R582-V586 PolarHBondContact O-N 3.12Å; R582-D1145 IonicContact CZ-OD1 2.99Å; R582-D1145 IonicContact CZ-OD2 2.69Å; R582-D1145 IonicContact NE-OD1 2.93Å; R582-D1145 IonicContact NE-OD2 2.88Å; R582-D1145 PolarHBondContact NE-OD2 3.03Å; R582-D1145 IonicContact NH2-OD1 3.59Å; R582-D1145 PolarHBondContact NH2-OD1 2.82Å; R582-D1145 IonicContact NH2-OD2 2.98Å; R582-D1145 PolarHBondContact NH2-OD2 2.99Å
583	I	63.5	Low	60.8	Low	2 Å²	2	53.8 Å²	53.8	1%	0.01	28%	0.283	C	S	.	.	H	α-helix	trans	-60.3	-43.6	172.5	-73.3	162.8	0	0	0	110.2	A579 A580 K585 V586 L587 F1154 L1157 L1173	A579-I583 VanDerWaalsContact O-CB 3.26Å; A579-I583 WeakPolarHBondContact O-CB 3.1Å; A579-I583 WeakPolarHBondContact O-CD1 3.37Å; A579-I583 WeakPolarHBondContact O-CG1 3.22Å; A579-I583 PolarHBondContact O-N 3.45Å; A580-I583 CarbonylContact O-C 3.56Å; A580-I583 PolarHBondContact O-N 3.13Å; I583-K585 VanDerWaalsContact C-N 3.32Å; I583-K585 PolarHBondContact O-N 2.98Å; I583-V586 PolarHBondContact O-N 3.04Å; I583-L587 HydrophobicContact CG2-CD1 3.43Å; I583-L587 VanDerWaalsContact CG2-CD1 3.43Å; I583-L587 HydrophobicContact CG2-CG 4.07Å; I583-L587 WeakPolarHBondContact O-CB 3.44Å; I583-L587 VanDerWaalsContact O-CG 3.24Å; I583-L587 WeakPolarHBondContact O-CG 3.36Å; I583-L587 PolarHBondContact O-N 3.14Å; I583-F1154 HydrophobicContact CD1-CD1 3.82Å; I583-F1154 HydrophobicContact CD1-CD2 4Å; I583-F1154 HydrophobicContact CD1-CE1 3.93Å; I583-F1154 HydrophobicContact CD1-CE2 4.11Å; I583-F1154 HydrophobicContact CD1-CG 3.85Å; I583-F1154 HydrophobicContact CD1-CZ 4.08Å; I583-F1154 HydrophobicContact CG1-CD2 4.23Å; I583-F1154 HydrophobicContact CG1-CE1 4.47Å; I583-F1154 HydrophobicContact CG1-CE2 4Å; I583-F1154 HydrophobicContact CG1-CZ 4.12Å; I583-F1154 HydrophobicContact CG2-CE1 3.99Å; I583-F1154 HydrophobicContact CG2-CE2 4.19Å; I583-F1154 HydrophobicContact CG2-CZ 3.58Å; I583-L1157 HydrophobicContact CD1-CD1 3.43Å; I583-L1157 VanDerWaalsContact CD1-CD1 3.43Å; I583-L1173 HydrophobicContact CG2-CD2 4.13Å
584	C	65.4	Low	62.2	Low	19 Å²	19	52.8 Å²	52.8	13%	0.128	27%	0.268	C	S	.	.	H	α-helix	trans	-63.5	-38.4	178.4	-70	0	0	0	0	112.1	A580 N581 R582 A588 P1174 Q1177	A580-C584 VanDerWaalsContact O-CB 3.23Å; A580-C584 WeakPolarHBondContact O-CB 3.36Å; A580-C584 PolarHBondContact O-N 3.26Å; A580-C584 PolarHBondContact O-SG 3.4Å; N581-C584 PolarHBondContact O-N 3.1Å; R582-C584 VanDerWaalsContact C-N 3.33Å; R582-C584 PolarHBondContact O-N 3.06Å; C584-A588 WeakPolarHBondContact O-CB 3.29Å; C584-A588 PolarHBondContact O-N 2.97Å; C584-P1174 VanDerWaalsContact SG-CD 3.5Å; C584-Q1177 VanDerWaalsContact CB-OE1 3.3Å; C584-Q1177 PolarHBondContact O-NE2 3.14Å; C584-Q1177 VanDerWaalsContact O-NE2 3.14Å; C584-Q1177 PolarHBondContact SG-OE1 2.89Å
585	K	66.1	Low	63.7	Low	155 Å²	155	54.1 Å²	54.1	67%	0.674	28%	0.275	S	S	*	.	H	α-helix	trans	-68.6	-44.8	175.2	-167.9	178.6	-178.8	-174.2	0	111.1	N581 R582 I583 A588 V589	N581-K585 VanDerWaalsContact O-CB 3.3Å; N581-K585 WeakPolarHBondContact O-CB 3.12Å; N581-K585 PolarHBondContact O-N 2.93Å; R582-K585 PolarHBondContact O-N 3.45Å; I583-K585 VanDerWaalsContact C-N 3.32Å; I583-K585 PolarHBondContact O-N 2.98Å; K585-A588 PolarHBondContact O-N 3.26Å; K585-V589 VanDerWaalsContact O-CG2 3.3Å; K585-V589 WeakPolarHBondContact O-CG2 3.4Å; K585-V589 PolarHBondContact O-N 2.95Å; K585-V589 VanDerWaalsContact O-N 3.1Å
586	V	67	Low	65.1	Low	17 Å²	17	51 Å²	51	10%	0.103	26%	0.262	C	S	.	.	H	α-helix	trans	-65.8	-38.7	177.6	171	0	0	0	0	111.8	R582 I583 N590 R671 V1150 L1207 Y1208	R582-V586 WeakPolarHBondContact O-CB 3.48Å; R582-V586 VanDerWaalsContact O-CG2 3.26Å; R582-V586 WeakPolarHBondContact O-CG2 3.45Å; R582-V586 PolarHBondContact O-N 3.12Å; I583-V586 PolarHBondContact O-N 3.04Å; V586-N590 PolarHBondContact O-N 3.09Å; V586-R671 PolarHBondContact O-NH2 3.38Å; V586-V1150 HydrophobicContact CG2-CG2 4.24Å; V586-L1207 HydrophobicContact CG1-CD2 3.43Å; V586-L1207 VanDerWaalsContact CG1-CD2 3.43Å; V586-Y1208 HydrophobicContact CG1-CE2 4.29Å; V586-Y1208 WeakPolarHBondContact CG1-OH 3.46Å
587	L	65.1	Low	66.7	Low	4 Å²	4	52.3 Å²	52.3	2%	0.021	27%	0.266	C	S	.	.	H	α-helix	trans	-71	-43.1	176	-77.1	170.6	0	0	0	111.9	I583 V589 N590 Q591 Q1177 Y1180 C1181 F1203	I583-L587 HydrophobicContact CG2-CD1 3.43Å; I583-L587 VanDerWaalsContact CG2-CD1 3.43Å; I583-L587 HydrophobicContact CG2-CG 4.07Å; I583-L587 WeakPolarHBondContact O-CB 3.44Å; I583-L587 VanDerWaalsContact O-CG 3.24Å; I583-L587 WeakPolarHBondContact O-CG 3.36Å; I583-L587 PolarHBondContact O-N 3.14Å; L587-V589 VanDerWaalsContact C-N 3.34Å; L587-V589 PolarHBondContact O-N 2.75Å; L587-N590 WeakPolarHBondContact O-CB 3.41Å; L587-N590 PolarHBondContact O-N 3.06Å; L587-N590 VanDerWaalsContact O-N 3.09Å; L587-Q591 WeakPolarHBondContact O-CB 3.31Å; L587-Q591 PolarHBondContact O-N 3.2Å; L587-Q1177 HydrophobicContact CD1-CB 4.27Å; L587-Y1180 HydrophobicContact CD2-CD1 3.76Å; L587-Y1180 HydrophobicContact CD2-CE1 3.75Å; L587-C1181 VanDerWaalsContact CD1-SG 3.54Å; L587-F1203 HydrophobicContact CD2-CE1 4.25Å; L587-F1203 HydrophobicContact CD2-CZ 3.98Å
588	A	67.9	Low	68.3	Low	44 Å²	44	52.6 Å²	52.6	36%	0.364	27%	0.267	S	S	.	.	H	α-helix	trans	-60.3	-44.4	176.7	0	0	0	0	0	111.5	C584 K585 N590 Q591 E592	C584-A588 WeakPolarHBondContact O-CB 3.29Å; C584-A588 PolarHBondContact O-N 2.97Å; K585-A588 PolarHBondContact O-N 3.26Å; A588-N590 VanDerWaalsContact C-N 3.31Å; A588-N590 PolarHBondContact O-N 3.45Å; A588-Q591 PolarHBondContact O-N 2.69Å; A588-E592 WeakPolarHBondContact O-CB 3.4Å; A588-E592 PolarHBondContact O-N 2.96Å
589	V	70.3	Confident	69.8	Low	51 Å²	51	51.5 Å²	51.5	31%	0.309	26%	0.258	S	S	.	.	H	α-helix	trans	-63	-38.1	174	173.1	0	0	0	0	111.1	K585 L587 N593	K585-V589 VanDerWaalsContact O-CG2 3.3Å; K585-V589 WeakPolarHBondContact O-CG2 3.4Å; K585-V589 PolarHBondContact O-N 2.95Å; K585-V589 VanDerWaalsContact O-N 3.1Å; L587-V589 VanDerWaalsContact C-N 3.34Å; L587-V589 PolarHBondContact O-N 2.75Å; V589-N593 WeakPolarHBondContact O-CB 3.23Å; V589-N593 PolarHBondContact O-N 3Å; V589-N593 PolarHBondContact O-ND2 3.45Å
590	N	72.2	Confident	71.7	Confident	18 Å²	18	51.1 Å²	51.1	10%	0.096	26%	0.255	C	S	.	.	H	α-helix	trans	-66.5	-44.7	176.4	-163.9	34.2	0	0	0	112.6	V586 L587 A588 E592 N593 E594 R671 Y1180	V586-N590 PolarHBondContact O-N 3.09Å; L587-N590 WeakPolarHBondContact O-CB 3.41Å; L587-N590 PolarHBondContact O-N 3.06Å; L587-N590 VanDerWaalsContact O-N 3.09Å; A588-N590 VanDerWaalsContact C-N 3.31Å; A588-N590 PolarHBondContact O-N 3.45Å; N590-E592 VanDerWaalsContact C-N 3.33Å; N590-E592 PolarHBondContact O-N 3.1Å; N590-N593 PolarHBondContact O-N 3.48Å; N590-E594 WeakPolarHBondContact O-CG 3.29Å; N590-E594 PolarHBondContact O-N 2.86Å; N590-R671 VanDerWaalsContact CB-NH1 3.29Å; N590-R671 PolarHBondContact OD1-NH1 3.31Å; N590-Y1180 PolarHBondContact ND2-OH 3.4Å
591	Q	71.5	Confident	73.3	Confident	85 Å²	85	54.2 Å²	54.2	40%	0.397	27%	0.269	S	S	.	.	H	α-helix	trans	-65.4	-38.2	-178.8	-167.2	170.4	15.4	0	0	111.4	L587 A588 E594 Q595	L587-Q591 WeakPolarHBondContact O-CB 3.31Å; L587-Q591 PolarHBondContact O-N 3.2Å; A588-Q591 PolarHBondContact O-N 2.69Å; Q591-E594 PolarHBondContact O-N 2.86Å; Q591-Q595 PolarHBondContact O-N 3.47Å
592	E	73.9	Confident	74.8	Confident	101 Å²	101	56.3 Å²	56.3	47%	0.472	27%	0.273	S	S	.	.	H	α-helix	trans	-65.6	-40.2	172.5	-164.9	-168.2	168.3	0	0	111.9	A588 N590 Q595 L596 K665	A588-E592 WeakPolarHBondContact O-CB 3.4Å; A588-E592 PolarHBondContact O-N 2.96Å; N590-E592 VanDerWaalsContact C-N 3.33Å; N590-E592 PolarHBondContact O-N 3.1Å; E592-Q595 PolarHBondContact O-N 3.04Å; E592-L596 WeakPolarHBondContact O-CG 3.35Å; E592-L596 PolarHBondContact O-N 3.09Å; E592-K665 IonicContact OE1-NZ 3.9Å; E592-K665 PolarHBondContact OE1-NZ 3.14Å; E592-K665 IonicContact OE2-NZ 2.63Å; E592-K665 PolarHBondContact OE2-NZ 3.21Å
593	N	78	Confident	76.1	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-66	-39.8	175.7	-69.1	-19.9	0	0	0	111.8	V589 N590 L596 M597 L662 L666	V589-N593 WeakPolarHBondContact O-CB 3.23Å; V589-N593 PolarHBondContact O-N 3Å; V589-N593 PolarHBondContact O-ND2 3.45Å; N590-N593 PolarHBondContact O-N 3.48Å; N593-L596 PolarHBondContact O-N 3.22Å; N593-M597 WeakPolarHBondContact O-CG 3.29Å; N593-M597 PolarHBondContact O-N 2.9Å; N593-L662 HydrophobicContact CB-CD1 4.22Å; N593-L666 HydrophobicContact CB-CD2 4.43Å
594	E	77.4	Confident	77.3	Confident	34 Å²	34	54.4 Å²	54.4	16%	0.159	27%	0.269	C	S	.	.	H	α-helix	trans	-64.1	-41	174.2	-72.6	-166.8	146.2	0	0	112.2	N590 Q591 L596 M597 E598 Y1180 R1184	N590-E594 WeakPolarHBondContact O-CG 3.29Å; N590-E594 PolarHBondContact O-N 2.86Å; Q591-E594 PolarHBondContact O-N 2.86Å; E594-L596 VanDerWaalsContact C-N 3.34Å; E594-L596 PolarHBondContact O-N 2.76Å; E594-M597 HydrophobicContact CB-CE 4.15Å; E594-M597 HydrophobicContact CG-CE 3.62Å; E594-M597 WeakPolarHBondContact O-CB 3.49Å; E594-M597 PolarHBondContact O-N 3.02Å; E594-E598 PolarHBondContact O-N 3.22Å; E594-Y1180 PolarHBondContact OE1-OH 3.29Å; E594-Y1180 VanDerWaalsContact OE2-CE2 3.25Å; E594-Y1180 WeakPolarHBondContact OE2-CE2 3.39Å; E594-Y1180 PolarHBondContact OE2-OH 3.36Å; E594-R1184 VanDerWaalsContact CD-NH2 3.32Å; E594-R1184 IonicContact OE1-CZ 2.8Å; E594-R1184 IonicContact OE1-NH1 2.62Å; E594-R1184 PolarHBondContact OE1-NH1 2.86Å; E594-R1184 IonicContact OE1-NH2 3.78Å; E594-R1184 PolarHBondContact OE1-NH2 3.3Å; E594-R1184 IonicContact OE2-CZ 2.77Å; E594-R1184 IonicContact OE2-NH2 2.74Å; E594-R1184 PolarHBondContact OE2-NH2 2.89Å
595	Q	79.9	Confident	78.5	Confident	97 Å²	97	55.2 Å²	55.2	45%	0.453	28%	0.275	S	S	.	.	H	α-helix	trans	-60.5	-44	173.5	-171.9	62.8	50.3	0	0	111.6	Q591 E592 M597 E598 D599	Q591-Q595 PolarHBondContact O-N 3.47Å; E592-Q595 PolarHBondContact O-N 3.04Å; Q595-M597 VanDerWaalsContact C-N 3.31Å; Q595-M597 PolarHBondContact O-N 3.37Å; Q595-E598 PolarHBondContact O-N 3.35Å; Q595-D599 PolarHBondContact NE2-OD1 3.45Å; Q595-D599 VanDerWaalsContact NE2-OD1 3.12Å; Q595-D599 WeakPolarHBondContact O-CB 3.19Å; Q595-D599 PolarHBondContact O-N 3.48Å
596	L	79.3	Confident	79.7	Confident	33 Å²	33	51.7 Å²	51.7	17%	0.173	26%	0.264	C	S	.	.	H	α-helix	trans	-64.9	-34	176.3	-75.7	166.8	0	0	0	112.7	E592 N593 E594 Y600 L662 K665	E592-L596 WeakPolarHBondContact O-CG 3.35Å; E592-L596 PolarHBondContact O-N 3.09Å; N593-L596 PolarHBondContact O-N 3.22Å; E594-L596 VanDerWaalsContact C-N 3.34Å; E594-L596 PolarHBondContact O-N 2.76Å; L596-Y600 WeakPolarHBondContact O-CB 3.26Å; L596-Y600 PolarHBondContact O-N 3.33Å; L596-L662 HydrophobicContact CB-CD1 4.08Å; L596-K665 HydrophobicContact CD1-CD 4.25Å
597	M	81.9	Confident	80.8	Confident	45 Å²	45	51 Å²	51	22%	0.222	26%	0.259	C	S	.	.	H	α-helix	trans	-65.3	-47.2	173	-75.7	-175.7	-68.2	0	0	111.3	N593 E594 Q595 Y600 E601 L662 F674	N593-M597 WeakPolarHBondContact O-CG 3.29Å; N593-M597 PolarHBondContact O-N 2.9Å; E594-M597 HydrophobicContact CB-CE 4.15Å; E594-M597 HydrophobicContact CG-CE 3.62Å; E594-M597 WeakPolarHBondContact O-CB 3.49Å; E594-M597 PolarHBondContact O-N 3.02Å; Q595-M597 VanDerWaalsContact C-N 3.31Å; Q595-M597 PolarHBondContact O-N 3.37Å; M597-Y600 PolarHBondContact O-N 2.96Å; M597-E601 WeakPolarHBondContact O-CB 3.29Å; M597-E601 PolarHBondContact O-N 3.14Å; M597-L662 HydrophobicContact CB-CD2 4.42Å; M597-L662 HydrophobicContact CG-CD1 4.21Å; M597-L662 HydrophobicContact CG-CD2 3.46Å; M597-L662 VanDerWaalsContact CG-CD2 3.46Å; M597-L662 HydrophobicContact CG-CG 4.41Å; M597-F674 HydrophobicContact CB-CD2 4.37Å; M597-F674 HydrophobicContact CB-CE2 3.9Å; M597-F674 HydrophobicContact CB-CZ 4.25Å; M597-F674 HydrophobicContact CG-CD2 3.52Å; M597-F674 HydrophobicContact CG-CE2 3.56Å; M597-F674 HydrophobicContact CG-CG 4.05Å; M597-F674 HydrophobicContact CG-CZ 4.12Å; M597-F674 HydrophobicContact SD-CD2 3.36Å; M597-F674 WeakPolarHBondContact SD-CD2 3Å; M597-F674 HydrophobicContact SD-CE2 3.78Å; M597-F674 HydrophobicContact SD-CG 4.16Å
598	E	83.6	Confident	82.1	Confident	120 Å²	120	51.6 Å²	51.6	56%	0.561	26%	0.262	S	S	*	.	H	α-helix	trans	-62.9	-42.8	176.1	-75.2	-173.4	175.3	0	0	112.1	E594 Q595 Y600 E601 K602	E594-E598 PolarHBondContact O-N 3.22Å; Q595-E598 PolarHBondContact O-N 3.35Å; E598-Y600 VanDerWaalsContact C-N 3.35Å; E598-Y600 PolarHBondContact O-N 2.89Å; E598-E601 PolarHBondContact O-N 2.64Å; E598-K602 VanDerWaalsContact O-CB 3.32Å; E598-K602 WeakPolarHBondContact O-CB 3.48Å; E598-K602 PolarHBondContact O-N 3.36Å
599	D	82.8	Confident	83.2	Confident	63 Å²	63	55.4 Å²	55.4	34%	0.337	27%	0.273	S	S	.	.	H	α-helix	trans	-62	-43.5	178	-72.3	-14.1	0	0	0	111	Q595 L603	Q595-D599 PolarHBondContact NE2-OD1 3.45Å; Q595-D599 VanDerWaalsContact NE2-OD1 3.12Å; Q595-D599 WeakPolarHBondContact O-CB 3.19Å; Q595-D599 PolarHBondContact O-N 3.48Å; D599-L603 WeakPolarHBondContact O-CB 3.15Å; D599-L603 WeakPolarHBondContact O-CD1 3.3Å; D599-L603 PolarHBondContact O-N 3.03Å
600	Y	89.8	Confident	84.3	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-58.8	-49.3	172.6	176.4	-86.8	0	0	0	111.1	L596 M597 E598 K602 L603 A604 L655 F659 F674 P676 K680 V682	L596-Y600 WeakPolarHBondContact O-CB 3.26Å; L596-Y600 PolarHBondContact O-N 3.33Å; M597-Y600 PolarHBondContact O-N 2.96Å; E598-Y600 VanDerWaalsContact C-N 3.35Å; E598-Y600 PolarHBondContact O-N 2.89Å; Y600-K602 VanDerWaalsContact C-N 3.32Å; Y600-K602 PolarHBondContact O-N 2.78Å; Y600-L603 PolarHBondContact O-N 3.17Å; Y600-A604 HydrophobicContact CE1-CB 4.31Å; Y600-A604 VanDerWaalsContact O-CB 3.26Å; Y600-A604 WeakPolarHBondContact O-CB 3.3Å; Y600-A604 PolarHBondContact O-N 3.49Å; Y600-L655 HydrophobicContact CD2-CD2 4.18Å; Y600-L655 HydrophobicContact CD2-CG 3.92Å; Y600-L655 HydrophobicContact CE2-CD1 4.42Å; Y600-L655 HydrophobicContact CE2-CD2 3.37Å; Y600-L655 HydrophobicContact CE2-CG 3.62Å; Y600-F659 HydrophobicContact CD2-CB 4.05Å; Y600-F659 HydrophobicContact CD2-CD2 4.43Å; Y600-F659 HydrophobicContact CE2-CB 3.7Å; Y600-F659 AromaticContact CE2-CD2 3.88Å; Y600-F659 HydrophobicContact CE2-CD2 3.88Å; Y600-F659 HydrophobicContact CE2-CG 4.16Å; Y600-F674 AromaticContact CD1-CE1 3.58Å; Y600-F674 HydrophobicContact CD1-CE1 3.58Å; Y600-F674 AromaticContact CD1-CZ 3.92Å; Y600-F674 HydrophobicContact CD1-CZ 3.92Å; Y600-F674 HydrophobicContact CE1-CE1 4.01Å; Y600-F674 HydrophobicContact CG-CE1 4Å; Y600-P676 HydrophobicContact CD1-CG 4.39Å; Y600-P676 HydrophobicContact CE1-CB 3.78Å; Y600-P676 HydrophobicContact CE1-CG 3.51Å; Y600-K680 PolarHBondContact OH-O 3.44Å; Y600-K680 VanDerWaalsContact OH-O 3.1Å; Y600-V682 HydrophobicContact CE2-CG2 4.3Å; Y600-V682 WeakPolarHBondContact OH-CG2 3.18Å
601	E	85.9	Confident	85.2	Confident	73 Å²	73	54 Å²	54	34%	0.341	26%	0.26	S	S	.	.	H	α-helix	trans	-66.9	-35.9	-173.8	-147.1	-171.5	164	0	0	112.3	M597 E598 S605 S677 K680	M597-E601 WeakPolarHBondContact O-CB 3.29Å; M597-E601 PolarHBondContact O-N 3.14Å; E598-E601 PolarHBondContact O-N 2.64Å; E601-S605 WeakPolarHBondContact O-CB 3.47Å; E601-S605 PolarHBondContact O-N 3.3Å; E601-S605 VanDerWaalsContact O-N 3.09Å; E601-S605 PolarHBondContact O-OG 3.47Å; E601-S677 PolarHBondContact OE1-OG 2.97Å; E601-K680 HydrophobicContact CG-CD 4.08Å; E601-K680 IonicContact OE1-NZ 2.72Å; E601-K680 PolarHBondContact OE1-NZ 2.79Å
602	K	88.1	Confident	86.2	Confident	139 Å²	139	58.2 Å²	58.2	60%	0.604	27%	0.273	S	S	*	.	H	α-helix	trans	-67.5	-51.7	174.6	-173.8	179.5	178.2	-176.8	0	111.6	E598 Y600 A604 S605 D606	E598-K602 VanDerWaalsContact O-CB 3.32Å; E598-K602 WeakPolarHBondContact O-CB 3.48Å; E598-K602 PolarHBondContact O-N 3.36Å; Y600-K602 VanDerWaalsContact C-N 3.32Å; Y600-K602 PolarHBondContact O-N 2.78Å; K602-A604 VanDerWaalsContact C-N 3.32Å; K602-A604 PolarHBondContact O-N 3.2Å; K602-S605 PolarHBondContact O-N 3.34Å; K602-S605 VanDerWaalsContact O-N 3.15Å; K602-D606 PolarHBondContact O-N 2.88Å
603	L	89	Confident	87.1	Confident	43 Å²	43	62.1 Å²	62.1	23%	0.225	28%	0.283	C	S	.	.	H	α-helix	trans	-58.2	-43.1	176.9	-90.7	151.1	0	0	0	111.9	D599 Y600 S605 L607 E651 L655	D599-L603 WeakPolarHBondContact O-CB 3.15Å; D599-L603 WeakPolarHBondContact O-CD1 3.3Å; D599-L603 PolarHBondContact O-N 3.03Å; Y600-L603 PolarHBondContact O-N 3.17Å; L603-S605 VanDerWaalsContact C-N 3.33Å; L603-S605 PolarHBondContact O-N 2.95Å; L603-L607 VanDerWaalsContact O-CB 3.32Å; L603-L607 WeakPolarHBondContact O-CB 3.49Å; L603-L607 PolarHBondContact O-N 3.37Å; L603-E651 HydrophobicContact CD2-CB 4.32Å; L603-E651 HydrophobicContact CD2-CG 4.28Å; L603-L655 HydrophobicContact CB-CD1 4.3Å
604	A	89	Confident	87.8	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-61	-43.1	176.7	0	0	0	0	0	111.7	Y600 K602 L608 L655 K680 I685	Y600-A604 HydrophobicContact CE1-CB 4.31Å; Y600-A604 VanDerWaalsContact O-CB 3.26Å; Y600-A604 WeakPolarHBondContact O-CB 3.3Å; Y600-A604 PolarHBondContact O-N 3.49Å; K602-A604 VanDerWaalsContact C-N 3.32Å; K602-A604 PolarHBondContact O-N 3.2Å; A604-L608 WeakPolarHBondContact O-CB 3.49Å; A604-L608 VanDerWaalsContact O-CG 3.24Å; A604-L608 WeakPolarHBondContact O-CG 3.48Å; A604-L608 PolarHBondContact O-N 3.33Å; A604-L655 VanDerWaalsContact CA-CD1 3.46Å; A604-L655 HydrophobicContact CB-CD1 3.76Å; A604-K680 HydrophobicContact CB-CB 4.38Å; A604-K680 HydrophobicContact CB-CD 4.44Å; A604-I685 HydrophobicContact CB-CD1 4.07Å
605	S	90.3	Very high	88.5	Confident	37 Å²	37	62.7 Å²	62.7	26%	0.259	29%	0.287	S	S	.	.	H	α-helix	trans	-66	-47.8	-179.3	-56.2	0	0	0	0	111.6	E601 K602 L603 L607 L608 E609 K680	E601-S605 WeakPolarHBondContact O-CB 3.47Å; E601-S605 PolarHBondContact O-N 3.3Å; E601-S605 VanDerWaalsContact O-N 3.09Å; E601-S605 PolarHBondContact O-OG 3.47Å; K602-S605 PolarHBondContact O-N 3.34Å; K602-S605 VanDerWaalsContact O-N 3.15Å; L603-S605 VanDerWaalsContact C-N 3.33Å; L603-S605 PolarHBondContact O-N 2.95Å; S605-L607 VanDerWaalsContact C-N 3.34Å; S605-L607 PolarHBondContact O-N 2.92Å; S605-L608 PolarHBondContact O-N 3.5Å; S605-E609 WeakPolarHBondContact O-CB 3.34Å; S605-E609 PolarHBondContact O-N 2.66Å; S605-K680 WeakPolarHBondContact OG-CE 3.48Å; S605-K680 PolarHBondContact OG-NZ 3.47Å
606	D	90.2	Very high	89.1	Confident	81 Å²	81	61.7 Å²	61.7	43%	0.433	29%	0.29	S	S	.	.	H	α-helix	trans	-62	-41.8	179.6	-71	-10.9	0	0	0	111.5	K602 W610	K602-D606 PolarHBondContact O-N 2.88Å; D606-W610 WeakPolarHBondContact O-CB 3.48Å; D606-W610 PolarHBondContact O-N 2.81Å
607	L	91.5	Very high	89.7	Confident	1 Å²	1	64.8 Å²	64.8	1%	0.005	30%	0.299	C	S	.	.	H	α-helix	trans	-67.7	-46.2	179.1	-171.2	65	0	0	0	111.7	L603 S605 E609 W610 I611 K648 K652 I685 W689	L603-L607 VanDerWaalsContact O-CB 3.32Å; L603-L607 WeakPolarHBondContact O-CB 3.49Å; L603-L607 PolarHBondContact O-N 3.37Å; S605-L607 VanDerWaalsContact C-N 3.34Å; S605-L607 PolarHBondContact O-N 2.92Å; L607-E609 VanDerWaalsContact C-N 3.34Å; L607-E609 PolarHBondContact O-N 3.4Å; L607-W610 PolarHBondContact O-N 2.95Å; L607-I611 HydrophobicContact CG-CD1 4.32Å; L607-I611 VanDerWaalsContact O-CG1 3.31Å; L607-I611 WeakPolarHBondContact O-CG1 3.29Å; L607-I611 PolarHBondContact O-N 3.35Å; L607-K648 HydrophobicContact CD1-CB 4.24Å; L607-K648 HydrophobicContact CD1-CD 4.33Å; L607-K652 HydrophobicContact CD2-CB 4.05Å; L607-K652 HydrophobicContact CD2-CG 4.48Å; L607-I685 HydrophobicContact CD2-CG2 3.93Å; L607-W689 HydrophobicContact CD1-CZ3 4.14Å
608	L	91	Very high	90.2	Very high	18 Å²	18	62.7 Å²	62.7	9%	0.094	29%	0.288	C	S	.	.	H	α-helix	trans	-66.7	-33.6	178.5	-73.3	170.5	0	0	0	112.7	A604 S605 R612 K680 I685 A688	A604-L608 WeakPolarHBondContact O-CB 3.49Å; A604-L608 VanDerWaalsContact O-CG 3.24Å; A604-L608 WeakPolarHBondContact O-CG 3.48Å; A604-L608 PolarHBondContact O-N 3.33Å; S605-L608 PolarHBondContact O-N 3.5Å; L608-R612 WeakPolarHBondContact O-CB 3.33Å; L608-R612 WeakPolarHBondContact O-CG 3.33Å; L608-R612 PolarHBondContact O-N 3.23Å; L608-R612 VanDerWaalsContact O-N 3.1Å; L608-R612 PolarHBondContact O-NE 3.33Å; L608-K680 HydrophobicContact CD1-CB 4.49Å; L608-K680 HydrophobicContact CD1-CG 4.15Å; L608-I685 HydrophobicContact CD1-CG1 4.24Å; L608-I685 HydrophobicContact CD2-CG1 4.07Å; L608-I685 HydrophobicContact CG-CG1 4.19Å; L608-A688 HydrophobicContact CD2-CB 4Å
609	E	91.2	Very high	90.5	Very high	124 Å²	124	62.5 Å²	62.5	58%	0.579	29%	0.288	S	S	*	.	H	α-helix	trans	-66.7	-44.4	172.5	-173.7	175	173.2	0	0	111.3	S605 L607 I611 R612 R613	S605-E609 WeakPolarHBondContact O-CB 3.34Å; S605-E609 PolarHBondContact O-N 2.66Å; L607-E609 VanDerWaalsContact C-N 3.34Å; L607-E609 PolarHBondContact O-N 3.4Å; E609-I611 PolarHBondContact O-N 3.05Å; E609-R612 PolarHBondContact O-N 2.83Å; E609-R613 PolarHBondContact O-N 3.16Å
610	W	93.8	Very high	90.8	Very high	35 Å²	35	62.8 Å²	62.8	13%	0.133	29%	0.289	C	S	.	.	H	α-helix	trans	-61	-44.7	176.8	178.5	84.5	0	0	0	112.3	D606 L607 R613 T614 Y640 K648 W689 L692	D606-W610 WeakPolarHBondContact O-CB 3.48Å; D606-W610 PolarHBondContact O-N 2.81Å; L607-W610 PolarHBondContact O-N 2.95Å; W610-R613 PolarHBondContact O-N 2.88Å; W610-T614 HydrophobicContact CZ2-CG2 4.36Å; W610-T614 WeakPolarHBondContact O-CB 3.26Å; W610-T614 PolarHBondContact O-N 3.29Å; W610-T614 PolarHBondContact O-OG1 2.93Å; W610-Y640 HydrophobicContact CH2-CE2 4.02Å; W610-Y640 AromaticContact CZ2-CE2 3.76Å; W610-Y640 HydrophobicContact CZ2-CE2 3.76Å; W610-K648 HydrophobicContact CD2-CG 4.04Å; W610-K648 HydrophobicContact CE3-CB 4.42Å; W610-K648 HydrophobicContact CE3-CG 4.17Å; W610-K648 HydrophobicContact CH2-CB 4.29Å; W610-K648 HydrophobicContact CH2-CG 4.22Å; W610-K648 HydrophobicContact CZ2-CG 4.05Å; W610-K648 HydrophobicContact CZ3-CB 4.18Å; W610-K648 HydrophobicContact CZ3-CG 4.26Å; W610-W689 HydrophobicContact CZ3-CH2 4.36Å; W610-W689 HydrophobicContact CZ3-CZ3 4.02Å; W610-L692 HydrophobicContact CH2-CD2 3.98Å; W610-L692 HydrophobicContact CZ3-CD2 3.56Å
611	I	92.1	Very high	90.7	Very high	3 Å²	3	69.4 Å²	69.4	2%	0.015	31%	0.314	C	S	.	.	H	α-helix	trans	-59.4	-49.9	175.8	-66.3	168.5	0	0	0	110	L607 E609 R613 T614 I615 A688 W689 L692	L607-I611 HydrophobicContact CG-CD1 4.32Å; L607-I611 VanDerWaalsContact O-CG1 3.31Å; L607-I611 WeakPolarHBondContact O-CG1 3.29Å; L607-I611 PolarHBondContact O-N 3.35Å; E609-I611 PolarHBondContact O-N 3.05Å; I611-R613 PolarHBondContact O-N 2.85Å; I611-T614 PolarHBondContact O-N 3.08Å; I611-T614 VanDerWaalsContact O-N 3.09Å; I611-I615 HydrophobicContact CG2-CD1 3.59Å; I611-I615 HydrophobicContact CG2-CG1 4.16Å; I611-I615 WeakPolarHBondContact O-CG1 3.45Å; I611-I615 PolarHBondContact O-N 3.07Å; I611-A688 HydrophobicContact CD1-CB 4.2Å; I611-A688 HydrophobicContact CG2-CB 4.31Å; I611-W689 HydrophobicContact CD1-CE3 3.94Å; I611-W689 HydrophobicContact CG1-CE3 4.4Å; I611-L692 HydrophobicContact CG1-CD2 4.44Å; I611-L692 HydrophobicContact CG2-CB 4.3Å
612	R	91.4	Very high	90.6	Very high	174 Å²	174	71.1 Å²	71.1	66%	0.657	33%	0.325	S	S	*	.	H	α-helix	trans	-59.2	-32.8	179.3	-81.8	-176.1	-76.4	-168.2	-2.2	113.3	L608 E609 P616	L608-R612 WeakPolarHBondContact O-CB 3.33Å; L608-R612 WeakPolarHBondContact O-CG 3.33Å; L608-R612 PolarHBondContact O-N 3.23Å; L608-R612 VanDerWaalsContact O-N 3.1Å; L608-R612 PolarHBondContact O-NE 3.33Å; E609-R612 PolarHBondContact O-N 2.83Å; R612-P616 WeakPolarHBondContact O-CD 3.44Å
613	R	92.9	Very high	90.3	Very high	184 Å²	184	67.9 Å²	67.9	69%	0.694	32%	0.318	S	S	*	.	H	α-helix	trans	-79.1	-31.1	176.7	-164.6	-179.2	75.2	-177.6	3.3	113.1	E609 W610 I611	E609-R613 PolarHBondContact O-N 3.16Å; W610-R613 PolarHBondContact O-N 2.88Å; I611-R613 PolarHBondContact O-N 2.85Å
614	T	92.7	Very high	90.1	Very high	12 Å²	12	69.2 Å²	69.2	7%	0.074	32%	0.324	C	S	.	.	H	α-helix	trans	-84.6	-35.8	-172.9	-54.3	0	0	0	0	112.3	W610 I611 W617 L618 Y640 L692	W610-T614 HydrophobicContact CZ2-CG2 4.36Å; W610-T614 WeakPolarHBondContact O-CB 3.26Å; W610-T614 PolarHBondContact O-N 3.29Å; W610-T614 PolarHBondContact O-OG1 2.93Å; I611-T614 PolarHBondContact O-N 3.08Å; I611-T614 VanDerWaalsContact O-N 3.09Å; T614-W617 HydrophobicContact CG2-CE3 4.44Å; T614-W617 WeakPolarHBondContact O-CB 3.35Å; T614-W617 PolarHBondContact O-N 3.35Å; T614-W617 VanDerWaalsContact O-N 3.08Å; T614-L618 HydrophobicContact CG2-CD1 4.13Å; T614-L618 HydrophobicContact CG2-CG 4.41Å; T614-L618 PolarHBondContact O-N 2.97Å; T614-L618 VanDerWaalsContact O-N 3.15Å; T614-Y640 HydrophobicContact CG2-CE2 3.81Å; T614-L692 HydrophobicContact CG2-CD1 4.07Å
615	I	92.6	Very high	89.5	Confident	34 Å²	34	75.3 Å²	75.3	17%	0.174	36%	0.356	C	S	.	.	H	α-helix	trans	-54	-49.7	178.8	-70.8	170.2	0	0	0	112.2	I611 W617 L618 E619 L692	I611-I615 HydrophobicContact CG2-CD1 3.59Å; I611-I615 HydrophobicContact CG2-CG1 4.16Å; I611-I615 WeakPolarHBondContact O-CG1 3.45Å; I611-I615 PolarHBondContact O-N 3.07Å; I615-W617 PolarHBondContact O-N 3.3Å; I615-L618 PolarHBondContact O-N 3.35Å; I615-L618 VanDerWaalsContact O-N 3.08Å; I615-E619 HydrophobicContact CG2-CG 4.07Å; I615-E619 WeakPolarHBondContact O-CG 3.25Å; I615-E619 PolarHBondContact O-N 2.65Å; I615-L692 HydrophobicContact CG1-CB 4.41Å; I615-L692 HydrophobicContact CG1-CD1 3.9Å
616	P	92.7	Very high	89	Confident	77 Å²	77	77.3 Å²	77.3	50%	0.5	37%	0.367	S	S	.	.	H	α-helix	trans	-60.5	-29.3	178.8	-25.5	34.8	0	0	0	114.4	R612 N620	R612-P616 WeakPolarHBondContact O-CD 3.44Å; P616-N620 PolarHBondContact O-N 3.01Å
617	W	92.4	Very high	88.6	Confident	98 Å²	98	76.2 Å²	76.2	37%	0.371	36%	0.36	S	S	.	.	H	α-helix	trans	-71.9	-39.7	175.9	174.3	77.4	0	0	0	111.6	T614 I615 N620 F637 Y640	T614-W617 HydrophobicContact CG2-CE3 4.44Å; T614-W617 WeakPolarHBondContact O-CB 3.35Å; T614-W617 PolarHBondContact O-N 3.35Å; T614-W617 VanDerWaalsContact O-N 3.08Å; I615-W617 PolarHBondContact O-N 3.3Å; W617-N620 WeakPolarHBondContact O-CB 3.21Å; W617-N620 PolarHBondContact O-N 3.28Å; W617-F637 HydrophobicContact CH2-CD2 4.37Å; W617-Y640 HydrophobicContact CH2-CG 4.31Å; W617-Y640 HydrophobicContact CZ3-CD1 4.34Å; W617-Y640 HydrophobicContact CZ3-CD2 4.18Å; W617-Y640 AromaticContact CZ3-CG 3.98Å; W617-Y640 HydrophobicContact CZ3-CG 3.98Å
618	L	90.8	Very high	88.2	Confident	0 Å²	0	83.7 Å²	83.7	0%	0	40%	0.395	C	S	.	.	H	α-helix	trans	-72.6	-29.6	174.5	-66.8	170.2	0	0	0	112.7	T614 I615 N620 F637 L692 A695 E696 Y699	T614-L618 HydrophobicContact CG2-CD1 4.13Å; T614-L618 HydrophobicContact CG2-CG 4.41Å; T614-L618 PolarHBondContact O-N 2.97Å; T614-L618 VanDerWaalsContact O-N 3.15Å; I615-L618 PolarHBondContact O-N 3.35Å; I615-L618 VanDerWaalsContact O-N 3.08Å; L618-N620 VanDerWaalsContact C-N 3.27Å; L618-F637 HydrophobicContact CD2-CD2 4.2Å; L618-F637 HydrophobicContact CD2-CE2 3.88Å; L618-L692 HydrophobicContact CD1-CD1 3.6Å; L618-A695 HydrophobicContact CB-CB 4.09Å; L618-A695 HydrophobicContact CD1-CB 4.32Å; L618-E696 HydrophobicContact CD1-CG 3.55Å; L618-E696 HydrophobicContact CD2-CG 4.36Å; L618-Y699 HydrophobicContact CD2-CD1 3.9Å; L618-Y699 HydrophobicContact CD2-CG 4.24Å; L618-Y699 WeakPolarHBondContact O-CB 3.48Å; L618-Y699 WeakPolarHBondContact O-CD2 3.27Å
619	E	90.5	Very high	88	Confident	116 Å²	116	84.3 Å²	84.3	54%	0.542	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-9.2	175.8	-70.9	-172.5	158.1	0	0	113.2	I615 R621 A695	I615-E619 HydrophobicContact CG2-CG 4.07Å; I615-E619 WeakPolarHBondContact O-CG 3.25Å; I615-E619 PolarHBondContact O-N 2.65Å; E619-R621 PolarHBondContact O-N 3.2Å; E619-A695 HydrophobicContact CG-CB 4.39Å
620	N	88.8	Confident	87.7	Confident	70 Å²	70	78.4 Å²	78.4	37%	0.374	38%	0.375	S	S	.	.			trans	-74.1	96.3	178.6	-175.6	10	0	0	0	111.7	P616 W617 L618 L622	P616-N620 PolarHBondContact O-N 3.01Å; W617-N620 WeakPolarHBondContact O-CB 3.21Å; W617-N620 PolarHBondContact O-N 3.28Å; L618-N620 VanDerWaalsContact C-N 3.27Å; N620-L622 PolarHBondContact O-N 3.05Å; N620-L622 WeakPolarHBondContact OD1-CD1 3.26Å; N620-L622 VanDerWaalsContact OD1-CG 3.25Å; N620-L622 WeakPolarHBondContact OD1-CG 3.31Å
621	R	87.2	Confident	87.2	Confident	139 Å²	139	81.1 Å²	81.1	53%	0.525	39%	0.389	S	S	.	.			trans	-100.5	40.8	-176.5	-61.6	174.9	-167.6	-173.5	2.2	113.5	E619 P623 W702	E619-R621 PolarHBondContact O-N 3.2Å; R621-P623 VanDerWaalsContact O-CD 3.31Å; R621-P623 WeakPolarHBondContact O-CD 3.42Å; R621-W702 VanDerWaalsContact C-CZ2 3.45Å; R621-W702 HydrophobicContact CB-CD2 4.14Å; R621-W702 HydrophobicContact CB-CG 4.36Å; R621-W702 HydrophobicContact CB-CZ2 4.29Å; R621-W702 HydrophobicContact CG-CD2 4.13Å; R621-W702 HydrophobicContact CG-CG 4.12Å
622	L	85.4	Confident	87	Confident	108 Å²	108	86.3 Å²	86.3	57%	0.565	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-74.4	116.1	176.7	-73.6	170	0	0	0	110.7	N620 K633 W702	N620-L622 PolarHBondContact O-N 3.05Å; N620-L622 WeakPolarHBondContact OD1-CD1 3.26Å; N620-L622 VanDerWaalsContact OD1-CG 3.25Å; N620-L622 WeakPolarHBondContact OD1-CG 3.31Å; L622-K633 PolarHBondContact O-NZ 3.24Å; L622-W702 WeakPolarHBondContact O-CH2 3.46Å
623	P	80.8	Confident	86.8	Confident	72 Å²	72	79.7 Å²	79.7	47%	0.468	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-71	142.9	178.2	30.2	-33.7	0	0	0	110.6	R621 E706	R621-P623 VanDerWaalsContact O-CD 3.31Å; R621-P623 WeakPolarHBondContact O-CD 3.42Å; P623-E706 HydrophobicContact CB-CG 4.5Å
624	E	84.1	Confident	86.6	Confident	71 Å²	71	72.7 Å²	72.7	33%	0.332	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-101.6	153.2	172.9	-61	-64.9	158.7	0	0	110.3	T626 A629 M630 K633	E624-T626 VanDerWaalsContact C-N 3.34Å; E624-T626 PolarHBondContact O-N 2.8Å; E624-A629 HydrophobicContact CB-CB 3.8Å; E624-A629 HydrophobicContact CG-CB 4Å; E624-M630 HydrophobicContact CB-CG 4.01Å; E624-M630 HydrophobicContact CB-SD 3.81Å; E624-M630 HydrophobicContact CG-SD 3.85Å; E624-K633 HydrophobicContact CG-CD 4.33Å; E624-K633 WeakPolarHBondContact OE1-CE 3.43Å; E624-K633 IonicContact OE1-NZ 2.68Å; E624-K633 PolarHBondContact OE1-NZ 3.34Å
625	N	76.9	Confident	86.3	Confident	128 Å²	128	75.8 Å²	75.8	68%	0.684	38%	0.379	S	S	*	.	S	Bend	trans	-81.5	-9.8	-174.6	-64.5	-32.1	0	0	0	114.2
626	T	80.4	Confident	86.1	Confident	79 Å²	79	77.6 Å²	77.6	49%	0.485	39%	0.389	S	S	.	.	S	Bend	trans	-131.6	143.9	-174.8	67	0	0	0	0	112	E624 Q628 A629 M630	E624-T626 VanDerWaalsContact C-N 3.34Å; E624-T626 PolarHBondContact O-N 2.8Å; T626-Q628 PolarHBondContact O-N 3.47Å; T626-A629 PolarHBondContact O-N 2.81Å; T626-A629 WeakPolarHBondContact OG1-CB 3.31Å; T626-A629 PolarHBondContact OG1-N 3.44Å; T626-M630 PolarHBondContact O-N 2.78Å
627	M	81.4	Confident	86	Confident	57 Å²	57	74.1 Å²	74.1	28%	0.281	37%	0.366	S	S	.	.	H	α-helix	trans	-56.5	-38.7	176.8	-173.4	-170.8	-167.3	0	0	112	A629 M630 Q631	M627-A629 PolarHBondContact O-N 3.24Å; M627-M630 PolarHBondContact O-N 2.93Å; M627-Q631 WeakPolarHBondContact O-CG 3.48Å; M627-Q631 PolarHBondContact O-N 3.23Å
628	Q	83.9	Confident	85.7	Confident	158 Å²	158	76 Å²	76	74%	0.738	37%	0.373	S	S	*	.	H	α-helix	trans	-65.5	-38.4	-178.7	-168.4	174.7	13.9	0	0	112.6	T626 Q631 Q632	T626-Q628 PolarHBondContact O-N 3.47Å; Q628-Q631 PolarHBondContact O-N 2.74Å; Q628-Q632 PolarHBondContact O-N 2.93Å; Q628-Q632 VanDerWaalsContact O-N 3.15Å
629	A	85.4	Confident	85.6	Confident	31 Å²	31	78.5 Å²	78.5	26%	0.256	39%	0.386	S	S	.	.	H	α-helix	trans	-67.6	-37.6	175.9	0	0	0	0	0	111.7	E624 T626 M627 Q632 K633	E624-A629 HydrophobicContact CB-CB 3.8Å; E624-A629 HydrophobicContact CG-CB 4Å; T626-A629 PolarHBondContact O-N 2.81Å; T626-A629 WeakPolarHBondContact OG1-CB 3.31Å; T626-A629 PolarHBondContact OG1-N 3.44Å; M627-A629 PolarHBondContact O-N 3.24Å; A629-Q632 PolarHBondContact O-N 3.22Å; A629-K633 PolarHBondContact O-N 3.42Å
630	M	86.3	Confident	85.6	Confident	0 Å²	0	73.6 Å²	73.6	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-69.6	-34.3	174.8	-72	-56.2	-66.8	0	0	113.2	E624 T626 M627 Q632 K633 L634 W702 L703 E706 I707 L710	E624-M630 HydrophobicContact CB-CG 4.01Å; E624-M630 HydrophobicContact CB-SD 3.81Å; E624-M630 HydrophobicContact CG-SD 3.85Å; T626-M630 PolarHBondContact O-N 2.78Å; M627-M630 PolarHBondContact O-N 2.93Å; M630-Q632 VanDerWaalsContact C-N 3.32Å; M630-Q632 PolarHBondContact O-N 3.02Å; M630-K633 PolarHBondContact O-N 3.28Å; M630-K633 HydrophobicContact SD-CD 4.27Å; M630-L634 PolarHBondContact O-N 3.42Å; M630-W702 HydrophobicContact CE-CH2 3.95Å; M630-W702 HydrophobicContact CE-CZ2 4.4Å; M630-W702 HydrophobicContact CE-CZ3 4.24Å; M630-W702 HydrophobicContact SD-CH2 4.48Å; M630-L703 HydrophobicContact CE-CD2 3.62Å; M630-E706 HydrophobicContact CE-CB 3.82Å; M630-E706 HydrophobicContact CE-CG 3.7Å; M630-E706 HydrophobicContact SD-CG 4.29Å; M630-I707 HydrophobicContact CB-CG1 3.92Å; M630-L710 HydrophobicContact CB-CD1 4.24Å; M630-L710 HydrophobicContact CG-CD1 3.48Å; M630-L710 VanDerWaalsContact CG-CD1 3.48Å
631	Q	83.3	Confident	85.6	Confident	93 Å²	93	76 Å²	76	44%	0.435	37%	0.367	S	S	.	.	H	α-helix	trans	-63.3	-37.6	172.1	-75.8	172.3	-12.4	0	0	112.1	M627 Q628 L634 E635	M627-Q631 WeakPolarHBondContact O-CG 3.48Å; M627-Q631 PolarHBondContact O-N 3.23Å; Q628-Q631 PolarHBondContact O-N 2.74Å; Q631-L634 WeakPolarHBondContact O-CB 3.35Å; Q631-L634 PolarHBondContact O-N 2.93Å; Q631-E635 PolarHBondContact O-N 3.3Å
632	Q	87.6	Confident	85.4	Confident	111 Å²	111	77.2 Å²	77.2	52%	0.519	37%	0.371	S	S	.	.	H	α-helix	trans	-63.8	-43.9	174.3	-173.7	60	49.6	0	0	111.6	Q628 A629 M630 L634 E635 D636	Q628-Q632 PolarHBondContact O-N 2.93Å; Q628-Q632 VanDerWaalsContact O-N 3.15Å; A629-Q632 PolarHBondContact O-N 3.22Å; M630-Q632 VanDerWaalsContact C-N 3.32Å; M630-Q632 PolarHBondContact O-N 3.02Å; Q632-L634 VanDerWaalsContact C-N 3.26Å; Q632-L634 PolarHBondContact O-N 2.99Å; Q632-E635 PolarHBondContact O-N 3.45Å; Q632-E635 VanDerWaalsContact O-N 3.1Å; Q632-D636 PolarHBondContact NE2-OD1 3.32Å; Q632-D636 VanDerWaalsContact O-CG 3.3Å; Q632-D636 PolarHBondContact O-N 3.34Å
633	K	87.4	Confident	85.4	Confident	36 Å²	36	76.8 Å²	76.8	16%	0.157	37%	0.369	C	S	.	.	H	α-helix	trans	-61	-34	174.7	-73.4	-170.1	-178.9	179.4	0	113	L622 E624 A629 M630 F637 L703	L622-K633 PolarHBondContact O-NZ 3.24Å; E624-K633 HydrophobicContact CG-CD 4.33Å; E624-K633 WeakPolarHBondContact OE1-CE 3.43Å; E624-K633 IonicContact OE1-NZ 2.68Å; E624-K633 PolarHBondContact OE1-NZ 3.34Å; A629-K633 PolarHBondContact O-N 3.42Å; M630-K633 PolarHBondContact O-N 3.28Å; M630-K633 HydrophobicContact SD-CD 4.27Å; K633-F637 PolarHBondContact O-N 3.4Å; K633-F637 VanDerWaalsContact O-N 3.1Å; K633-L703 HydrophobicContact CB-CD2 4.02Å
634	L	87.2	Confident	85.6	Confident	37 Å²	37	78.9 Å²	78.9	19%	0.194	37%	0.372	C	S	.	.	H	α-helix	trans	-67.2	-38.6	174.3	-177.5	66.6	0	0	0	111.7	M630 Q631 Q632 F637 R638 L703 I707	M630-L634 PolarHBondContact O-N 3.42Å; Q631-L634 WeakPolarHBondContact O-CB 3.35Å; Q631-L634 PolarHBondContact O-N 2.93Å; Q632-L634 VanDerWaalsContact C-N 3.26Å; Q632-L634 PolarHBondContact O-N 2.99Å; L634-F637 PolarHBondContact O-N 2.89Å; L634-R638 WeakPolarHBondContact O-CG 3.23Å; L634-R638 PolarHBondContact O-N 3.16Å; L634-L703 HydrophobicContact CD1-CD1 4.45Å; L634-I707 HydrophobicContact CB-CD1 4.43Å; L634-I707 HydrophobicContact CD2-CD1 4.13Å
635	E	86.4	Confident	85.8	Confident	76 Å²	76	77 Å²	77	36%	0.355	36%	0.363	S	S	.	.	H	α-helix	trans	-69.1	-41.4	177.3	-159.8	61.6	-160.2	0	0	111.6	Q631 Q632 F637 R638 D639	Q631-E635 PolarHBondContact O-N 3.3Å; Q632-E635 PolarHBondContact O-N 3.45Å; Q632-E635 VanDerWaalsContact O-N 3.1Å; E635-F637 VanDerWaalsContact C-N 3.25Å; E635-F637 PolarHBondContact O-N 2.94Å; E635-R638 WeakPolarHBondContact O-CB 3.46Å; E635-R638 PolarHBondContact O-N 3.14Å; E635-R638 VanDerWaalsContact O-N 3.07Å; E635-R638 VanDerWaalsContact OE2-CD 3.31Å; E635-R638 WeakPolarHBondContact OE2-CD 3.47Å; E635-R638 IonicContact OE2-CZ 3.05Å; E635-R638 IonicContact OE2-NH1 2.73Å; E635-R638 PolarHBondContact OE2-NH1 3.28Å; E635-D639 PolarHBondContact O-N 3.27Å
636	D	88.8	Confident	86.3	Confident	72 Å²	72	73.9 Å²	73.9	39%	0.385	35%	0.35	S	S	.	.	H	α-helix	trans	-58.9	-38.4	172.9	-60.8	-14.4	0	0	0	111.2	Q632 Y640	Q632-D636 PolarHBondContact NE2-OD1 3.32Å; Q632-D636 VanDerWaalsContact O-CG 3.3Å; Q632-D636 PolarHBondContact O-N 3.34Å; D636-Y640 PolarHBondContact O-N 2.79Å
637	F	90.7	Very high	86.7	Confident	5 Å²	5	72.9 Å²	72.9	2%	0.022	34%	0.344	C	S	.	.	H	α-helix	trans	-68.6	-36.1	174.5	-175.5	-114.2	0	0	0	113.1	W617 L618 K633 L634 E635 Y640 R641 Y699 E700 L703	W617-F637 HydrophobicContact CH2-CD2 4.37Å; L618-F637 HydrophobicContact CD2-CD2 4.2Å; L618-F637 HydrophobicContact CD2-CE2 3.88Å; K633-F637 PolarHBondContact O-N 3.4Å; K633-F637 VanDerWaalsContact O-N 3.1Å; L634-F637 PolarHBondContact O-N 2.89Å; E635-F637 VanDerWaalsContact C-N 3.25Å; E635-F637 PolarHBondContact O-N 2.94Å; F637-Y640 HydrophobicContact CD2-CD1 4.11Å; F637-Y640 HydrophobicContact CE2-CD1 4.11Å; F637-Y640 HydrophobicContact CE2-CE1 4.38Å; F637-Y640 WeakPolarHBondContact O-CB 3.23Å; F637-Y640 PolarHBondContact O-N 3.26Å; F637-R641 HydrophobicContact CE1-CG 4.42Å; F637-R641 HydrophobicContact CZ-CG 4.32Å; F637-R641 WeakPolarHBondContact O-CG 3.36Å; F637-R641 PolarHBondContact O-N 3.37Å; F637-Y699 HydrophobicContact CB-CE1 4.27Å; F637-Y699 AromaticContact CD2-CD1 3.66Å; F637-Y699 HydrophobicContact CD2-CD1 3.66Å; F637-Y699 AromaticContact CD2-CE1 3.88Å; F637-Y699 HydrophobicContact CD2-CE1 3.88Å; F637-Y699 AromaticContact CE2-CD1 3.87Å; F637-Y699 HydrophobicContact CE2-CD1 3.87Å; F637-Y699 HydrophobicContact CG-CD1 4.22Å; F637-Y699 HydrophobicContact CG-CE1 4.22Å; F637-E700 HydrophobicContact CE1-CB 3.99Å; F637-E700 HydrophobicContact CE1-CG 4.23Å; F637-E700 HydrophobicContact CZ-CB 4.15Å; F637-L703 HydrophobicContact CB-CD1 4.17Å; F637-L703 HydrophobicContact CD1-CD1 4.32Å; F637-L703 HydrophobicContact CG-CD1 4.24Å
638	R	86.8	Confident	87.1	Confident	138 Å²	138	72.1 Å²	72.1	52%	0.521	34%	0.34	S	S	.	.	H	α-helix	trans	-65.8	-43.1	173.6	-75.2	168.7	171.5	175.2	-2.2	111.8	L634 E635 Y640 R641 R642	L634-R638 WeakPolarHBondContact O-CG 3.23Å; L634-R638 PolarHBondContact O-N 3.16Å; E635-R638 WeakPolarHBondContact O-CB 3.46Å; E635-R638 PolarHBondContact O-N 3.14Å; E635-R638 VanDerWaalsContact O-N 3.07Å; E635-R638 VanDerWaalsContact OE2-CD 3.31Å; E635-R638 WeakPolarHBondContact OE2-CD 3.47Å; E635-R638 IonicContact OE2-CZ 3.05Å; E635-R638 IonicContact OE2-NH1 2.73Å; E635-R638 PolarHBondContact OE2-NH1 3.28Å; R638-Y640 VanDerWaalsContact C-N 3.35Å; R638-R641 PolarHBondContact O-N 2.9Å; R638-R642 VanDerWaalsContact O-CB 3.31Å; R638-R642 WeakPolarHBondContact O-CB 3.37Å; R638-R642 PolarHBondContact O-N 2.74Å
639	D	88.3	Confident	87.3	Confident	52 Å²	52	67.9 Å²	67.9	28%	0.278	32%	0.324	S	S	.	.	H	α-helix	trans	-64.3	-40.1	176.4	-87.2	-19.8	0	0	0	111.9	E635 R641 R642 L643	E635-D639 PolarHBondContact O-N 3.27Å; D639-R641 PolarHBondContact O-N 2.69Å; D639-R642 PolarHBondContact O-N 3.47Å; D639-R642 IonicContact OD1-CZ 3.34Å; D639-R642 IonicContact OD1-NE 2.84Å; D639-R642 IonicContact OD1-NH2 3.97Å; D639-R642 PolarHBondContact OD1-NH2 3.49Å; D639-L643 WeakPolarHBondContact O-CB 3.15Å; D639-L643 PolarHBondContact O-N 3.39Å
640	Y	91.4	Very high	87.2	Confident	13 Å²	13	73.1 Å²	73.1	5%	0.051	34%	0.344	C	S	.	.	I	π-helix	trans	-53.2	-50.8	168.7	164.3	-99.8	0	0	0	112	W610 T614 W617 D636 F637 R638 R642 H644 K645 E696	W610-Y640 HydrophobicContact CH2-CE2 4.02Å; W610-Y640 AromaticContact CZ2-CE2 3.76Å; W610-Y640 HydrophobicContact CZ2-CE2 3.76Å; T614-Y640 HydrophobicContact CG2-CE2 3.81Å; W617-Y640 HydrophobicContact CH2-CG 4.31Å; W617-Y640 HydrophobicContact CZ3-CD1 4.34Å; W617-Y640 HydrophobicContact CZ3-CD2 4.18Å; W617-Y640 AromaticContact CZ3-CG 3.98Å; W617-Y640 HydrophobicContact CZ3-CG 3.98Å; D636-Y640 PolarHBondContact O-N 2.79Å; F637-Y640 HydrophobicContact CD2-CD1 4.11Å; F637-Y640 HydrophobicContact CE2-CD1 4.11Å; F637-Y640 HydrophobicContact CE2-CE1 4.38Å; F637-Y640 WeakPolarHBondContact O-CB 3.23Å; F637-Y640 PolarHBondContact O-N 3.26Å; R638-Y640 VanDerWaalsContact C-N 3.35Å; Y640-R642 PolarHBondContact O-N 3.29Å; Y640-H644 HydrophobicContact CD2-CB 4.3Å; Y640-H644 PolarHBondContact O-N 3.42Å; Y640-H644 VanDerWaalsContact O-N 3.16Å; Y640-K645 HydrophobicContact CE1-CB 4.43Å; Y640-K645 HydrophobicContact CE1-CD 4.35Å; Y640-K645 HydrophobicContact CE2-CB 4.49Å; Y640-K645 PolarHBondContact O-N 2.87Å; Y640-E696 HydrophobicContact CE1-CG 4.25Å; Y640-E696 VanDerWaalsContact CE1-OE1 3.27Å; Y640-E696 WeakPolarHBondContact CE1-OE1 3.29Å; Y640-E696 PolarHBondContact OH-OE1 2.74Å
641	R	88.9	Confident	87.2	Confident	121 Å²	121	75.7 Å²	75.7	46%	0.457	36%	0.355	S	S	.	.	I	π-helix	trans	-69.1	-31.6	-178.9	-72.8	-171.9	67.2	168.6	2.4	113.8	F637 R638 D639 P646 E700	F637-R641 HydrophobicContact CE1-CG 4.42Å; F637-R641 HydrophobicContact CZ-CG 4.32Å; F637-R641 WeakPolarHBondContact O-CG 3.36Å; F637-R641 PolarHBondContact O-N 3.37Å; R638-R641 PolarHBondContact O-N 2.9Å; D639-R641 PolarHBondContact O-N 2.69Å; R641-P646 WeakPolarHBondContact O-CD 3.39Å; R641-P646 WeakPolarHBondContact O-CG 3.39Å; R641-E700 IonicContact NH1-OE1 3.83Å; R641-E700 PolarHBondContact NH1-OE1 2.9Å; R641-E700 IonicContact NH1-OE2 2.67Å; R641-E700 PolarHBondContact NH1-OE2 2.67Å
642	R	81.9	Confident	87.4	Confident	164 Å²	164	73.1 Å²	73.1	62%	0.619	34%	0.343	S	S	*	.	I	π-helix	trans	-86.8	-37.3	-175.4	-175	179.6	63.8	174.4	-5.2	113.5	R638 D639 Y640	R638-R642 VanDerWaalsContact O-CB 3.31Å; R638-R642 WeakPolarHBondContact O-CB 3.37Å; R638-R642 PolarHBondContact O-N 2.74Å; D639-R642 PolarHBondContact O-N 3.47Å; D639-R642 IonicContact OD1-CZ 3.34Å; D639-R642 IonicContact OD1-NE 2.84Å; D639-R642 IonicContact OD1-NH2 3.97Å; D639-R642 PolarHBondContact OD1-NH2 3.49Å; Y640-R642 PolarHBondContact O-N 3.29Å
643	L	84.9	Confident	87.3	Confident	98 Å²	98	71 Å²	71	51%	0.513	34%	0.339	S	S	.	.	I	π-helix	trans	-115	-42.9	-169.4	-63	171.5	0	0	0	112.7	D639 P647	D639-L643 WeakPolarHBondContact O-CB 3.15Å; D639-L643 PolarHBondContact O-N 3.39Å; L643-P647 VanDerWaalsContact O-CD 3.29Å; L643-P647 WeakPolarHBondContact O-CD 3.25Å
644	H	85.4	Confident	87.1	Confident	116 Å²	116	73.1 Å²	73.1	54%	0.537	35%	0.35	S	S	.	.	I	π-helix	trans	-91	-38.8	-169.7	-64.7	-68.4	0	0	0	113.9	Y640 P647	Y640-H644 HydrophobicContact CD2-CB 4.3Å; Y640-H644 PolarHBondContact O-N 3.42Å; Y640-H644 VanDerWaalsContact O-N 3.16Å; H644-P647 WeakPolarHBondContact O-CD 3.49Å; H644-P647 WeakPolarHBondContact O-CG 3.35Å
645	K	88.2	Confident	87.1	Confident	33 Å²	33	71.5 Å²	71.5	14%	0.143	34%	0.341	C	S	.	.	H	α-helix	trans	-72	-44.6	179.2	-174.2	179	-175.9	176.4	0	114.4	Y640 K648 V649 E696	Y640-K645 HydrophobicContact CE1-CB 4.43Å; Y640-K645 HydrophobicContact CE1-CD 4.35Å; Y640-K645 HydrophobicContact CE2-CB 4.49Å; Y640-K645 PolarHBondContact O-N 2.87Å; K645-K648 PolarHBondContact O-N 3.36Å; K645-V649 HydrophobicContact CG-CG2 4.26Å; K645-V649 PolarHBondContact O-N 3.24Å; K645-V649 VanDerWaalsContact O-N 3.13Å; K645-E696 WeakPolarHBondContact CD-OE1 3.33Å; K645-E696 WeakPolarHBondContact CE-OE1 3.19Å; K645-E696 IonicContact NZ-OE1 3.21Å; K645-E696 PolarHBondContact NZ-OE1 3.46Å; K645-E696 IonicContact NZ-OE2 2.64Å; K645-E696 PolarHBondContact NZ-OE2 2.95Å
646	P	88.1	Confident	87	Confident	62 Å²	62	70.8 Å²	70.8	40%	0.403	34%	0.338	S	S	.	.	H	α-helix	trans	-54.7	-45	-175.4	-27.4	37.3	0	0	0	115.9	R641 K648 V649 Q650	R641-P646 WeakPolarHBondContact O-CD 3.39Å; R641-P646 WeakPolarHBondContact O-CG 3.39Å; P646-K648 VanDerWaalsContact C-N 3.26Å; P646-K648 PolarHBondContact O-N 3.27Å; P646-V649 WeakPolarHBondContact O-CB 3.35Å; P646-V649 PolarHBondContact O-N 2.8Å; P646-Q650 PolarHBondContact O-N 3.1Å
647	P	88.3	Confident	86.7	Confident	57 Å²	57	71 Å²	71	37%	0.37	34%	0.339	S	S	.	.	H	α-helix	trans	-65.1	-30.4	176.9	25.3	-34.1	0	0	0	112.5	L643 H644 Q650 E651	L643-P647 VanDerWaalsContact O-CD 3.29Å; L643-P647 WeakPolarHBondContact O-CD 3.25Å; H644-P647 WeakPolarHBondContact O-CD 3.49Å; H644-P647 WeakPolarHBondContact O-CG 3.35Å; P647-Q650 WeakPolarHBondContact O-CB 3.45Å; P647-Q650 PolarHBondContact O-N 3.25Å; P647-E651 WeakPolarHBondContact O-CG 3.44Å; P647-E651 PolarHBondContact O-N 2.9Å
648	K	89.6	Confident	86.3	Confident	41 Å²	41	72 Å²	72	18%	0.178	34%	0.344	C	S	.	.	H	α-helix	trans	-72.1	-30.3	177.4	-61.5	-50.5	-173.8	-170.9	0	113.3	L607 W610 K645 P646 Q650 E651 K652 W689	L607-K648 HydrophobicContact CD1-CB 4.24Å; L607-K648 HydrophobicContact CD1-CD 4.33Å; W610-K648 HydrophobicContact CD2-CG 4.04Å; W610-K648 HydrophobicContact CE3-CB 4.42Å; W610-K648 HydrophobicContact CE3-CG 4.17Å; W610-K648 HydrophobicContact CH2-CB 4.29Å; W610-K648 HydrophobicContact CH2-CG 4.22Å; W610-K648 HydrophobicContact CZ2-CG 4.05Å; W610-K648 HydrophobicContact CZ3-CB 4.18Å; W610-K648 HydrophobicContact CZ3-CG 4.26Å; K645-K648 PolarHBondContact O-N 3.36Å; P646-K648 VanDerWaalsContact C-N 3.26Å; P646-K648 PolarHBondContact O-N 3.27Å; K648-Q650 VanDerWaalsContact C-N 3.31Å; K648-E651 WeakPolarHBondContact CD-OE2 3.14Å; K648-E651 IonicContact NZ-OE1 2.99Å; K648-E651 PolarHBondContact NZ-OE1 3.14Å; K648-E651 IonicContact NZ-OE2 3.04Å; K648-E651 PolarHBondContact NZ-OE2 3.5Å; K648-E651 PolarHBondContact O-N 3.39Å; K648-K652 PolarHBondContact O-N 3.1Å; K648-W689 HydrophobicContact CB-CH2 4.21Å; K648-W689 HydrophobicContact CB-CZ3 4.4Å
649	V	88	Confident	86.1	Confident	69 Å²	69	67.4 Å²	67.4	42%	0.418	33%	0.328	S	S	.	.	H	α-helix	trans	-63.5	-41.2	168.8	177.9	0	0	0	0	110.4	K645 P646 K652 C653 W689	K645-V649 HydrophobicContact CG-CG2 4.26Å; K645-V649 PolarHBondContact O-N 3.24Å; K645-V649 VanDerWaalsContact O-N 3.13Å; P646-V649 WeakPolarHBondContact O-CB 3.35Å; P646-V649 PolarHBondContact O-N 2.8Å; V649-K652 PolarHBondContact O-N 3.39Å; V649-C653 PolarHBondContact O-N 3.47Å; V649-W689 HydrophobicContact CG2-CH2 4.07Å; V649-W689 HydrophobicContact CG2-CZ2 3.76Å
650	Q	83.8	Confident	85.7	Confident	142 Å²	142	69.7 Å²	69.7	66%	0.664	34%	0.34	S	S	*	.	H	α-helix	trans	-67.6	-41.5	177	-167.7	172.2	6.1	0	0	112	P646 P647 K648 C653 Q654	P646-Q650 PolarHBondContact O-N 3.1Å; P647-Q650 WeakPolarHBondContact O-CB 3.45Å; P647-Q650 PolarHBondContact O-N 3.25Å; K648-Q650 VanDerWaalsContact C-N 3.31Å; Q650-C653 PolarHBondContact O-N 2.95Å; Q650-Q654 WeakPolarHBondContact O-CB 3.36Å; Q650-Q654 PolarHBondContact O-N 3.49Å
651	E	87.1	Confident	85.1	Confident	53 Å²	53	72.2 Å²	72.2	25%	0.248	36%	0.357	C	S	.	.	H	α-helix	trans	-60.7	-41.7	173.5	-73	173.1	-154.7	0	0	112.2	L603 P647 K648 Q654 L655	L603-E651 HydrophobicContact CD2-CB 4.32Å; L603-E651 HydrophobicContact CD2-CG 4.28Å; P647-E651 WeakPolarHBondContact O-CG 3.44Å; P647-E651 PolarHBondContact O-N 2.9Å; K648-E651 WeakPolarHBondContact CD-OE2 3.14Å; K648-E651 IonicContact NZ-OE1 2.99Å; K648-E651 PolarHBondContact NZ-OE1 3.14Å; K648-E651 IonicContact NZ-OE2 3.04Å; K648-E651 PolarHBondContact NZ-OE2 3.5Å; K648-E651 PolarHBondContact O-N 3.39Å; E651-Q654 PolarHBondContact O-N 2.98Å; E651-L655 WeakPolarHBondContact O-CB 3.36Å; E651-L655 PolarHBondContact O-N 3.07Å
652	K	87.3	Confident	84.6	Confident	39 Å²	39	66.5 Å²	66.5	17%	0.17	34%	0.336	C	S	.	.	H	α-helix	trans	-58.8	-48.3	173.3	-177.4	-162.5	171.4	-179	0	111.5	L607 K648 V649 L655 E656 N686 W689	L607-K652 HydrophobicContact CD2-CB 4.05Å; L607-K652 HydrophobicContact CD2-CG 4.48Å; K648-K652 PolarHBondContact O-N 3.1Å; V649-K652 PolarHBondContact O-N 3.39Å; K652-L655 WeakPolarHBondContact O-CB 3.29Å; K652-L655 PolarHBondContact O-N 3Å; K652-E656 PolarHBondContact O-N 3.47Å; K652-E656 VanDerWaalsContact O-N 3.16Å; K652-N686 WeakPolarHBondContact CE-OD1 3.4Å; K652-N686 PolarHBondContact NZ-OD1 3.16Å; K652-W689 HydrophobicContact CD-CD2 3.97Å; K652-W689 HydrophobicContact CD-CE3 4.34Å; K652-W689 HydrophobicContact CD-CG 4.12Å
653	C	83.9	Confident	84.4	Confident	66 Å²	66	61.1 Å²	61.1	45%	0.446	32%	0.318	S	S	.	.	H	α-helix	trans	-61.7	-45.1	177.7	-177.4	0	0	0	0	111.4	V649 Q650 L655 E656 I657	V649-C653 PolarHBondContact O-N 3.47Å; Q650-C653 PolarHBondContact O-N 2.95Å; C653-L655 VanDerWaalsContact C-N 3.29Å; C653-L655 PolarHBondContact O-N 2.83Å; C653-E656 PolarHBondContact O-N 3.42Å; C653-I657 WeakPolarHBondContact O-CG1 3.28Å; C653-I657 PolarHBondContact O-N 2.87Å
654	Q	83.3	Confident	83.8	Confident	82 Å²	82	59 Å²	59	38%	0.383	31%	0.308	S	S	.	.	H	α-helix	trans	-61.9	-37.1	177.7	-171.3	62.4	54	0	0	112.2	Q650 E651 I657 N658	Q650-Q654 WeakPolarHBondContact O-CB 3.36Å; Q650-Q654 PolarHBondContact O-N 3.49Å; E651-Q654 PolarHBondContact O-N 2.98Å; Q654-I657 PolarHBondContact O-N 2.86Å; Q654-N658 PolarHBondContact NE2-OD1 3.23Å; Q654-N658 WeakPolarHBondContact O-CB 3.08Å; Q654-N658 PolarHBondContact O-N 2.91Å; Q654-N658 PolarHBondContact O-OD1 3.24Å
655	L	88.9	Confident	83.1	Confident	2 Å²	2	56.3 Å²	56.3	1%	0.01	30%	0.295	C	S	.	.	H	α-helix	trans	-64.3	-43.5	176.4	-178	153.3	0	0	0	111.8	Y600 L603 A604 E651 K652 C653 N658 F659 V682 I685	Y600-L655 HydrophobicContact CD2-CD2 4.18Å; Y600-L655 HydrophobicContact CD2-CG 3.92Å; Y600-L655 HydrophobicContact CE2-CD1 4.42Å; Y600-L655 HydrophobicContact CE2-CD2 3.37Å; Y600-L655 HydrophobicContact CE2-CG 3.62Å; L603-L655 HydrophobicContact CB-CD1 4.3Å; A604-L655 VanDerWaalsContact CA-CD1 3.46Å; A604-L655 HydrophobicContact CB-CD1 3.76Å; E651-L655 WeakPolarHBondContact O-CB 3.36Å; E651-L655 PolarHBondContact O-N 3.07Å; K652-L655 WeakPolarHBondContact O-CB 3.29Å; K652-L655 PolarHBondContact O-N 3Å; C653-L655 VanDerWaalsContact C-N 3.29Å; C653-L655 PolarHBondContact O-N 2.83Å; L655-N658 PolarHBondContact O-N 3.21Å; L655-F659 WeakPolarHBondContact O-CB 3.16Å; L655-F659 PolarHBondContact O-N 3.24Å; L655-V682 HydrophobicContact CD2-CG2 4.33Å; L655-I685 HydrophobicContact CD1-CD1 3.72Å; L655-I685 HydrophobicContact CD2-CD1 3.6Å; L655-I685 HydrophobicContact CG-CD1 4.35Å
656	E	83.8	Confident	82.2	Confident	61 Å²	61	55.1 Å²	55.1	29%	0.285	29%	0.291	S	S	.	.	H	α-helix	trans	-64.8	-40.1	174.7	-74.6	-178	167.3	0	0	111.9	K652 C653 F659 N660 V682 N686	K652-E656 PolarHBondContact O-N 3.47Å; K652-E656 VanDerWaalsContact O-N 3.16Å; C653-E656 PolarHBondContact O-N 3.42Å; E656-F659 PolarHBondContact O-N 3.37Å; E656-N660 WeakPolarHBondContact O-CB 3.3Å; E656-N660 VanDerWaalsContact O-CG 3.31Å; E656-N660 PolarHBondContact O-N 2.89Å; E656-N660 PolarHBondContact O-ND2 3.42Å; E656-V682 HydrophobicContact CG-CG1 3.89Å; E656-N686 PolarHBondContact OE1-ND2 2.73Å
657	I	81.3	Confident	81.3	Confident	78 Å²	78	57.7 Å²	57.7	40%	0.4	29%	0.292	S	S	.	.	H	α-helix	trans	-60.5	-52	173.5	-67.8	166.3	0	0	0	110.3	C653 Q654 F659 N660 T661	C653-I657 WeakPolarHBondContact O-CG1 3.28Å; C653-I657 PolarHBondContact O-N 2.87Å; Q654-I657 PolarHBondContact O-N 2.86Å; I657-F659 VanDerWaalsContact C-N 3.3Å; I657-F659 PolarHBondContact O-N 2.94Å; I657-N660 PolarHBondContact O-N 2.87Å; I657-T661 WeakPolarHBondContact O-CB 3.41Å; I657-T661 PolarHBondContact O-N 2.91Å; I657-T661 PolarHBondContact O-OG1 2.99Å; I657-T661 VanDerWaalsContact O-OG1 3.06Å
658	N	82.3	Confident	79.7	Confident	24 Å²	24	59 Å²	59	13%	0.128	30%	0.296	C	S	.	.	H	α-helix	trans	-57.9	-42.6	-179.4	-73.1	1	0	0	0	111.5	Q654 L655 L662	Q654-N658 PolarHBondContact NE2-OD1 3.23Å; Q654-N658 WeakPolarHBondContact O-CB 3.08Å; Q654-N658 PolarHBondContact O-N 2.91Å; Q654-N658 PolarHBondContact O-OD1 3.24Å; L655-N658 PolarHBondContact O-N 3.21Å; N658-L662 WeakPolarHBondContact O-CB 3.38Å; N658-L662 PolarHBondContact O-N 2.88Å
659	F	83.9	Confident	78.3	Confident	43 Å²	43	59 Å²	59	19%	0.189	30%	0.301	C	S	.	.	H	α-helix	trans	-61.7	-49.1	176	-176	-101.1	0	0	0	112.1	Y600 L655 E656 I657 T661 L662 Q663 F674 P676 V682	Y600-F659 HydrophobicContact CD2-CB 4.05Å; Y600-F659 HydrophobicContact CD2-CD2 4.43Å; Y600-F659 HydrophobicContact CE2-CB 3.7Å; Y600-F659 AromaticContact CE2-CD2 3.88Å; Y600-F659 HydrophobicContact CE2-CD2 3.88Å; Y600-F659 HydrophobicContact CE2-CG 4.16Å; L655-F659 WeakPolarHBondContact O-CB 3.16Å; L655-F659 PolarHBondContact O-N 3.24Å; E656-F659 PolarHBondContact O-N 3.37Å; I657-F659 VanDerWaalsContact C-N 3.3Å; I657-F659 PolarHBondContact O-N 2.94Å; F659-T661 PolarHBondContact O-N 2.81Å; F659-L662 PolarHBondContact O-N 3.22Å; F659-Q663 VanDerWaalsContact O-CB 3.23Å; F659-Q663 WeakPolarHBondContact O-CB 3.32Å; F659-Q663 PolarHBondContact O-N 3.41Å; F659-F674 HydrophobicContact CD2-CD1 4.16Å; F659-F674 HydrophobicContact CD2-CE1 4.48Å; F659-F674 HydrophobicContact CE2-CD1 4.11Å; F659-P676 HydrophobicContact CD2-CG 4.5Å; F659-P676 HydrophobicContact CE2-CG 4.06Å; F659-V682 HydrophobicContact CB-CG2 4.19Å; F659-V682 HydrophobicContact CD1-CG2 3.88Å; F659-V682 HydrophobicContact CD2-CG2 4.18Å; F659-V682 HydrophobicContact CE1-CG2 4.31Å; F659-V682 HydrophobicContact CG-CG2 3.81Å
660	N	79.9	Confident	76.7	Confident	99 Å²	99	60.4 Å²	60.4	53%	0.529	31%	0.306	S	S	.	.	H	α-helix	trans	-65	-41.1	-179.3	-73.3	-27.4	0	0	0	112.4	E656 I657 T664	E656-N660 WeakPolarHBondContact O-CB 3.3Å; E656-N660 VanDerWaalsContact O-CG 3.31Å; E656-N660 PolarHBondContact O-N 2.89Å; E656-N660 PolarHBondContact O-ND2 3.42Å; I657-N660 PolarHBondContact O-N 2.87Å; N660-T664 VanDerWaalsContact O-CB 3.3Å; N660-T664 WeakPolarHBondContact O-CB 3.32Å; N660-T664 PolarHBondContact O-N 2.92Å; N660-T664 PolarHBondContact O-OG1 3.23Å
661	T	78.3	Confident	75.9	Confident	67 Å²	67	54.8 Å²	54.8	41%	0.411	28%	0.279	S	S	.	.	H	α-helix	trans	-63.4	-46.7	175.2	-60.4	0	0	0	0	111.1	I657 F659 T664 K665	I657-T661 WeakPolarHBondContact O-CB 3.41Å; I657-T661 PolarHBondContact O-N 2.91Å; I657-T661 PolarHBondContact O-OG1 2.99Å; I657-T661 VanDerWaalsContact O-OG1 3.06Å; F659-T661 PolarHBondContact O-N 2.81Å; T661-T664 PolarHBondContact O-N 3.38Å; T661-K665 WeakPolarHBondContact O-CB 3.43Å; T661-K665 PolarHBondContact O-N 2.9Å
662	L	79.3	Confident	74.7	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-64.2	-46	178.5	178.1	64.3	0	0	0	111.7	N593 L596 M597 N658 F659 T664 K665 L666 F674	N593-L662 HydrophobicContact CB-CD1 4.22Å; L596-L662 HydrophobicContact CB-CD1 4.08Å; M597-L662 HydrophobicContact CB-CD2 4.42Å; M597-L662 HydrophobicContact CG-CD1 4.21Å; M597-L662 HydrophobicContact CG-CD2 3.46Å; M597-L662 VanDerWaalsContact CG-CD2 3.46Å; M597-L662 HydrophobicContact CG-CG 4.41Å; N658-L662 WeakPolarHBondContact O-CB 3.38Å; N658-L662 PolarHBondContact O-N 2.88Å; F659-L662 PolarHBondContact O-N 3.22Å; L662-T664 VanDerWaalsContact C-N 3.26Å; L662-T664 PolarHBondContact O-N 3.36Å; L662-K665 PolarHBondContact O-N 2.88Å; L662-L666 HydrophobicContact CD1-CD1 4.01Å; L662-L666 HydrophobicContact CD1-CG 4.16Å; L662-L666 HydrophobicContact CG-CD1 3.97Å; L662-L666 HydrophobicContact CG-CG 4.49Å; L662-L666 WeakPolarHBondContact O-CB 3.45Å; L662-L666 WeakPolarHBondContact O-CG 3.19Å; L662-L666 PolarHBondContact O-N 2.95Å; L662-F674 HydrophobicContact CD2-CB 3.98Å; L662-F674 HydrophobicContact CD2-CD1 3.5Å; L662-F674 HydrophobicContact CD2-CD2 4.4Å; L662-F674 HydrophobicContact CD2-CE1 4Å; L662-F674 HydrophobicContact CD2-CG 3.71Å; L662-F674 HydrophobicContact CG-CB 4.37Å
663	Q	77.9	Confident	73.9	Confident	51 Å²	51	57.1 Å²	57.1	24%	0.238	31%	0.308	C	S	.	.	H	α-helix	trans	-59.9	-39.6	177.4	-163.1	70.2	-0.5	0	0	111.4	F659 R667 A673	F659-Q663 VanDerWaalsContact O-CB 3.23Å; F659-Q663 WeakPolarHBondContact O-CB 3.32Å; F659-Q663 PolarHBondContact O-N 3.41Å; Q663-R667 WeakPolarHBondContact O-CB 3.43Å; Q663-R667 PolarHBondContact O-N 3.3Å; Q663-A673 VanDerWaalsContact NE2-CB 3.26Å
664	T	71.3	Confident	73.7	Confident	52 Å²	52	55.4 Å²	55.4	32%	0.319	29%	0.293	S	S	.	.	H	α-helix	trans	-69.1	-44.8	175.8	-59.8	0	0	0	0	111.5	N660 T661 L662 L666 R667 L668	N660-T664 VanDerWaalsContact O-CB 3.3Å; N660-T664 WeakPolarHBondContact O-CB 3.32Å; N660-T664 PolarHBondContact O-N 2.92Å; N660-T664 PolarHBondContact O-OG1 3.23Å; T661-T664 PolarHBondContact O-N 3.38Å; L662-T664 VanDerWaalsContact C-N 3.26Å; L662-T664 PolarHBondContact O-N 3.36Å; T664-L666 PolarHBondContact O-N 2.7Å; T664-R667 PolarHBondContact O-N 2.67Å; T664-R667 PolarHBondContact OG1-NH2 3.4Å; T664-L668 HydrophobicContact CG2-CD1 3.85Å; T664-L668 HydrophobicContact CG2-CG 4.28Å; T664-L668 WeakPolarHBondContact O-CB 3.32Å; T664-L668 VanDerWaalsContact O-CG 3.24Å; T664-L668 WeakPolarHBondContact O-CG 3.02Å; T664-L668 PolarHBondContact O-N 2.85Å
665	K	70.5	Confident	73.4	Confident	60 Å²	60	59.1 Å²	59.1	26%	0.261	31%	0.312	S	S	.	.	H	α-helix	trans	-58.9	-44.7	175.7	-90.6	-174.2	168.5	-169.9	0	112.4	E592 L596 T661 L662 L668 S669	E592-K665 IonicContact OE1-NZ 3.9Å; E592-K665 PolarHBondContact OE1-NZ 3.14Å; E592-K665 IonicContact OE2-NZ 2.63Å; E592-K665 PolarHBondContact OE2-NZ 3.21Å; L596-K665 HydrophobicContact CD1-CD 4.25Å; T661-K665 WeakPolarHBondContact O-CB 3.43Å; T661-K665 PolarHBondContact O-N 2.9Å; L662-K665 PolarHBondContact O-N 2.88Å; K665-L668 PolarHBondContact O-N 3.43Å; K665-S669 WeakPolarHBondContact O-CB 3.18Å; K665-S669 PolarHBondContact O-N 3.34Å; K665-S669 PolarHBondContact O-OG 2.92Å
666	L	68.7	Low	73.2	Confident	9 Å²	9	59.7 Å²	59.7	5%	0.047	32%	0.317	C	S	.	.	H	α-helix	trans	-66.8	-42.1	178.3	-68.6	171.3	0	0	0	111.5	N593 L662 T664 L668 S669 N670 R671 F674	N593-L666 HydrophobicContact CB-CD2 4.43Å; L662-L666 HydrophobicContact CD1-CD1 4.01Å; L662-L666 HydrophobicContact CD1-CG 4.16Å; L662-L666 HydrophobicContact CG-CD1 3.97Å; L662-L666 HydrophobicContact CG-CG 4.49Å; L662-L666 WeakPolarHBondContact O-CB 3.45Å; L662-L666 WeakPolarHBondContact O-CG 3.19Å; L662-L666 PolarHBondContact O-N 2.95Å; T664-L666 PolarHBondContact O-N 2.7Å; L666-L668 PolarHBondContact O-N 2.82Å; L666-S669 PolarHBondContact O-N 3.42Å; L666-N670 PolarHBondContact O-N 3.45Å; L666-R671 HydrophobicContact CB-CB 4.43Å; L666-R671 HydrophobicContact CD2-CB 3.97Å; L666-R671 PolarHBondContact O-N 3.42Å; L666-F674 HydrophobicContact CD1-CB 3.53Å
667	R	69.4	Low	73.1	Confident	116 Å²	116	59 Å²	59	44%	0.438	32%	0.319	S	S	.	.	H	α-helix	trans	-64.4	-38.2	175.8	-176.4	177.9	66.7	-133.6	-4.1	113.3	Q663 T664 S669	Q663-R667 WeakPolarHBondContact O-CB 3.43Å; Q663-R667 PolarHBondContact O-N 3.3Å; T664-R667 PolarHBondContact O-N 2.67Å; T664-R667 PolarHBondContact OG1-NH2 3.4Å; R667-S669 VanDerWaalsContact C-N 3.26Å; R667-S669 PolarHBondContact O-N 2.91Å
668	L	55.6	Low	72.8	Confident	85 Å²	85	64.7 Å²	64.7	45%	0.445	34%	0.343	S	S	.	.	H	α-helix	trans	-70.4	-24.2	176.4	-72.9	171.7	0	0	0	112.4	T664 K665 L666	T664-L668 HydrophobicContact CG2-CD1 3.85Å; T664-L668 HydrophobicContact CG2-CG 4.28Å; T664-L668 WeakPolarHBondContact O-CB 3.32Å; T664-L668 VanDerWaalsContact O-CG 3.24Å; T664-L668 WeakPolarHBondContact O-CG 3.02Å; T664-L668 PolarHBondContact O-N 2.85Å; K665-L668 PolarHBondContact O-N 3.43Å; L666-L668 PolarHBondContact O-N 2.82Å
669	S	59	Low	72.5	Confident	41 Å²	41	65.4 Å²	65.4	29%	0.287	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	8.5	-178.1	-50.4	0	0	0	0	113.7	K665 L666 R667 R671	K665-S669 WeakPolarHBondContact O-CB 3.18Å; K665-S669 PolarHBondContact O-N 3.34Å; K665-S669 PolarHBondContact O-OG 2.92Å; L666-S669 PolarHBondContact O-N 3.42Å; R667-S669 VanDerWaalsContact C-N 3.26Å; R667-S669 PolarHBondContact O-N 2.91Å; S669-R671 VanDerWaalsContact C-N 3.28Å; S669-R671 PolarHBondContact O-N 3.48Å
670	N	55.6	Low	72.6	Confident	98 Å²	98	65.5 Å²	65.5	52%	0.524	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	42.1	-172.3	-66	-27.2	0	0	0	113.3	L666	L666-N670 PolarHBondContact O-N 3.45Å
671	R	66.3	Low	72.9	Confident	23 Å²	23	64.6 Å²	64.6	9%	0.087	35%	0.35	C	S	.	.			trans	-108.4	155.7	177.4	-64.3	-168.2	-177.3	-175	2.6	111.6	V586 N590 L666 S669 L1207	V586-R671 PolarHBondContact O-NH2 3.38Å; N590-R671 VanDerWaalsContact CB-NH1 3.29Å; N590-R671 PolarHBondContact OD1-NH1 3.31Å; L666-R671 HydrophobicContact CB-CB 4.43Å; L666-R671 HydrophobicContact CD2-CB 3.97Å; L666-R671 PolarHBondContact O-N 3.42Å; S669-R671 VanDerWaalsContact C-N 3.28Å; S669-R671 PolarHBondContact O-N 3.48Å; R671-L1207 WeakPolarHBondContact CD-O 3.49Å; R671-L1207 PolarHBondContact NE-O 2.99Å
672	P	63.2	Low	73.3	Confident	75 Å²	75	62.8 Å²	62.8	49%	0.487	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-53.6	142.1	175.8	-25.5	34	0	0	0	112	F674	P672-F674 PolarHBondContact O-N 2.97Å
673	A	70.1	Confident	73.6	Confident	67 Å²	67	65.7 Å²	65.7	55%	0.554	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-56.3	136.4	174.1	0	0	0	0	0	110.7	Q663 M675	Q663-A673 VanDerWaalsContact NE2-CB 3.26Å; A673-M675 PolarHBondContact O-N 3.49Å
674	F	79.1	Confident	74	Confident	29 Å²	29	65.4 Å²	65.4	13%	0.127	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-69.7	123	172.6	172.5	-118.7	0	0	0	109.1	M597 Y600 F659 L662 L666 P672 P676	M597-F674 HydrophobicContact CB-CD2 4.37Å; M597-F674 HydrophobicContact CB-CE2 3.9Å; M597-F674 HydrophobicContact CB-CZ 4.25Å; M597-F674 HydrophobicContact CG-CD2 3.52Å; M597-F674 HydrophobicContact CG-CE2 3.56Å; M597-F674 HydrophobicContact CG-CG 4.05Å; M597-F674 HydrophobicContact CG-CZ 4.12Å; M597-F674 HydrophobicContact SD-CD2 3.36Å; M597-F674 WeakPolarHBondContact SD-CD2 3Å; M597-F674 HydrophobicContact SD-CE2 3.78Å; M597-F674 HydrophobicContact SD-CG 4.16Å; Y600-F674 AromaticContact CD1-CE1 3.58Å; Y600-F674 HydrophobicContact CD1-CE1 3.58Å; Y600-F674 AromaticContact CD1-CZ 3.92Å; Y600-F674 HydrophobicContact CD1-CZ 3.92Å; Y600-F674 HydrophobicContact CE1-CE1 4.01Å; Y600-F674 HydrophobicContact CG-CE1 4Å; F659-F674 HydrophobicContact CD2-CD1 4.16Å; F659-F674 HydrophobicContact CD2-CE1 4.48Å; F659-F674 HydrophobicContact CE2-CD1 4.11Å; L662-F674 HydrophobicContact CD2-CB 3.98Å; L662-F674 HydrophobicContact CD2-CD1 3.5Å; L662-F674 HydrophobicContact CD2-CD2 4.4Å; L662-F674 HydrophobicContact CD2-CE1 4Å; L662-F674 HydrophobicContact CD2-CG 3.71Å; L662-F674 HydrophobicContact CG-CB 4.37Å; L666-F674 HydrophobicContact CD1-CB 3.53Å; P672-F674 PolarHBondContact O-N 2.97Å; F674-P676 HydrophobicContact CD1-CG 4.26Å; F674-P676 HydrophobicContact CE1-CB 4.47Å; F674-P676 HydrophobicContact CE1-CG 3.78Å; F674-P676 HydrophobicContact CZ-CG 4.28Å
675	M	78	Confident	74.9	Confident	160 Å²	160	63 Å²	63	79%	0.788	35%	0.345	S	S	*	.			trans	-114.9	111.6	173.6	-162.1	151.8	78.5	0	0	108.5	A673	A673-M675 PolarHBondContact O-N 3.49Å
676	P	82.9	Confident	75.7	Confident	15 Å²	15	62.9 Å²	62.9	10%	0.097	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-57.4	156.9	176.3	-25.8	34.7	0	0	0	112.4	Y600 F659 F674 K680	Y600-P676 HydrophobicContact CD1-CG 4.39Å; Y600-P676 HydrophobicContact CE1-CB 3.78Å; Y600-P676 HydrophobicContact CE1-CG 3.51Å; F659-P676 HydrophobicContact CD2-CG 4.5Å; F659-P676 HydrophobicContact CE2-CG 4.06Å; F674-P676 HydrophobicContact CD1-CG 4.26Å; F674-P676 HydrophobicContact CE1-CB 4.47Å; F674-P676 HydrophobicContact CE1-CG 3.78Å; F674-P676 HydrophobicContact CZ-CG 4.28Å; P676-K680 HydrophobicContact CB-CB 4.36Å
677	S	82.2	Confident	76.6	Confident	47 Å²	47	67.7 Å²	67.7	33%	0.329	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-58.4	149.8	172.1	33.1	0	0	0	0	111.6	E601 G679 K680	E601-S677 PolarHBondContact OE1-OG 2.97Å; S677-G679 PolarHBondContact O-N 3.23Å; S677-K680 WeakPolarHBondContact O-CB 3.39Å; S677-K680 PolarHBondContact O-N 3.06Å
678	E	74.7	Confident	77.6	Confident	197 Å²	197	63.3 Å²	63.3	92%	0.921	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	129.4	-171.3	-164	178.9	-179.3	0	0	112.1	K680	E678-K680 VanDerWaalsContact C-N 3.34Å
679	G	76.9	Confident	79.4	Confident	38 Å²	38	59.7 Å²	59.7	39%	0.392	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.9	2.8	-177.2	0	0	0	0	0	115.6	S677 D684	S677-G679 PolarHBondContact O-N 3.23Å; G679-D684 VanDerWaalsContact CA-OD2 3.27Å; G679-D684 WeakPolarHBondContact CA-OD2 3.24Å
680	K	86.8	Confident	80.8	Confident	46 Å²	46	59.4 Å²	59.4	20%	0.2	35%	0.345	C	S	.	.			trans	-111.6	19.4	173.5	-56.2	-172.8	-167.4	171.2	0	112.9	Y600 E601 A604 S605 L608 P676 S677 E678	Y600-K680 PolarHBondContact OH-O 3.44Å; Y600-K680 VanDerWaalsContact OH-O 3.1Å; E601-K680 HydrophobicContact CG-CD 4.08Å; E601-K680 IonicContact OE1-NZ 2.72Å; E601-K680 PolarHBondContact OE1-NZ 2.79Å; A604-K680 HydrophobicContact CB-CB 4.38Å; A604-K680 HydrophobicContact CB-CD 4.44Å; S605-K680 WeakPolarHBondContact OG-CE 3.48Å; S605-K680 PolarHBondContact OG-NZ 3.47Å; L608-K680 HydrophobicContact CD1-CB 4.49Å; L608-K680 HydrophobicContact CD1-CG 4.15Å; P676-K680 HydrophobicContact CB-CB 4.36Å; S677-K680 WeakPolarHBondContact O-CB 3.39Å; S677-K680 PolarHBondContact O-N 3.06Å; E678-K680 VanDerWaalsContact C-N 3.34Å
681	M	85.6	Confident	82.5	Confident	79 Å²	79	58.2 Å²	58.2	39%	0.389	35%	0.345	S	S	.	.	S	Bend	trans	-69.1	153.7	175.9	-68.2	-176.4	-95.9	0	0	110.4	S683 D684 I685	M681-S683 PolarHBondContact O-N 3.21Å; M681-D684 WeakPolarHBondContact CB-OD2 3.47Å; M681-D684 PolarHBondContact N-OD2 2.81Å; M681-D684 WeakPolarHBondContact O-CB 3.48Å; M681-D684 PolarHBondContact O-N 3.07Å; M681-I685 PolarHBondContact O-N 3.41Å
682	V	85.8	Confident	83.7	Confident	29 Å²	29	57.1 Å²	57.1	18%	0.176	34%	0.341	C	S	.	.	H	α-helix	trans	-56	-34.5	175.6	177.5	0	0	0	0	111.3	Y600 L655 E656 F659 I685 N686	Y600-V682 HydrophobicContact CE2-CG2 4.3Å; Y600-V682 WeakPolarHBondContact OH-CG2 3.18Å; L655-V682 HydrophobicContact CD2-CG2 4.33Å; E656-V682 HydrophobicContact CG-CG1 3.89Å; F659-V682 HydrophobicContact CB-CG2 4.19Å; F659-V682 HydrophobicContact CD1-CG2 3.88Å; F659-V682 HydrophobicContact CD2-CG2 4.18Å; F659-V682 HydrophobicContact CE1-CG2 4.31Å; F659-V682 HydrophobicContact CG-CG2 3.81Å; V682-I685 PolarHBondContact O-N 3.03Å; V682-N686 WeakPolarHBondContact O-CB 3.32Å; V682-N686 PolarHBondContact O-N 3Å; V682-N686 PolarHBondContact O-ND2 3.48Å
683	S	85.3	Confident	85	Confident	63 Å²	63	58.1 Å²	58.1	44%	0.441	34%	0.339	S	S	.	.	H	α-helix	trans	-61.9	-42.5	172.6	52.9	0	0	0	0	112.8	M681 N686 N687	M681-S683 PolarHBondContact O-N 3.21Å; S683-N686 PolarHBondContact O-N 3.34Å; S683-N687 PolarHBondContact O-N 3.02Å; S683-N687 PolarHBondContact O-ND2 2.88Å
684	D	87.3	Confident	85.9	Confident	45 Å²	45	57.1 Å²	57.1	24%	0.241	34%	0.335	C	S	.	.	H	α-helix	trans	-68.3	-39.7	-179	-58	-32.7	0	0	0	110.8	G679 M681 N686 N687 A688	G679-D684 VanDerWaalsContact CA-OD2 3.27Å; G679-D684 WeakPolarHBondContact CA-OD2 3.24Å; M681-D684 WeakPolarHBondContact CB-OD2 3.47Å; M681-D684 PolarHBondContact N-OD2 2.81Å; M681-D684 WeakPolarHBondContact O-CB 3.48Å; M681-D684 PolarHBondContact O-N 3.07Å; D684-N686 VanDerWaalsContact C-N 3.35Å; D684-N687 PolarHBondContact O-N 3.27Å; D684-A688 WeakPolarHBondContact O-CB 3.45Å; D684-A688 PolarHBondContact O-N 2.91Å
685	I	89.3	Confident	86.4	Confident	2 Å²	2	56.3 Å²	56.3	1%	0.01	33%	0.334	C	S	.	.	H	α-helix	trans	-63.5	-42.9	174.8	-62.7	168.5	0	0	0	110.3	A604 L607 L608 L655 M681 V682 A688 W689	A604-I685 HydrophobicContact CB-CD1 4.07Å; L607-I685 HydrophobicContact CD2-CG2 3.93Å; L608-I685 HydrophobicContact CD1-CG1 4.24Å; L608-I685 HydrophobicContact CD2-CG1 4.07Å; L608-I685 HydrophobicContact CG-CG1 4.19Å; L655-I685 HydrophobicContact CD1-CD1 3.72Å; L655-I685 HydrophobicContact CD2-CD1 3.6Å; L655-I685 HydrophobicContact CG-CD1 4.35Å; M681-I685 PolarHBondContact O-N 3.41Å; V682-I685 PolarHBondContact O-N 3.03Å; I685-A688 PolarHBondContact O-N 3.49Å; I685-W689 VanDerWaalsContact O-CB 3.24Å; I685-W689 WeakPolarHBondContact O-CB 3.34Å; I685-W689 PolarHBondContact O-N 2.96Å
686	N	88.1	Confident	87	Confident	57 Å²	57	49.4 Å²	49.4	31%	0.305	30%	0.3	S	S	.	.	H	α-helix	trans	-64.8	-39.6	176.3	-84.6	-43.8	0	0	0	112.4	K652 E656 V682 S683 D684 W689 G690	K652-N686 WeakPolarHBondContact CE-OD1 3.4Å; K652-N686 PolarHBondContact NZ-OD1 3.16Å; E656-N686 PolarHBondContact OE1-ND2 2.73Å; V682-N686 WeakPolarHBondContact O-CB 3.32Å; V682-N686 PolarHBondContact O-N 3Å; V682-N686 PolarHBondContact O-ND2 3.48Å; S683-N686 PolarHBondContact O-N 3.34Å; D684-N686 VanDerWaalsContact C-N 3.35Å; N686-W689 PolarHBondContact O-N 3.11Å; N686-G690 PolarHBondContact O-N 2.95Å
687	N	88.4	Confident	87.2	Confident	110 Å²	110	55 Å²	55	59%	0.588	32%	0.322	S	S	*	.	H	α-helix	trans	-65.6	-43.1	174.3	-69.2	-26.7	0	0	0	112.3	S683 D684 W689 G690 S691	S683-N687 PolarHBondContact O-N 3.02Å; S683-N687 PolarHBondContact O-ND2 2.88Å; D684-N687 PolarHBondContact O-N 3.27Å; N687-W689 VanDerWaalsContact C-N 3.34Å; N687-G690 PolarHBondContact O-N 3.26Å; N687-S691 PolarHBondContact O-N 3.44Å; N687-S691 PolarHBondContact O-OG 3.45Å
688	A	89.7	Confident	87.5	Confident	24 Å²	24	53.6 Å²	53.6	20%	0.198	32%	0.315	C	S	.	.	H	α-helix	trans	-64.3	-39.6	175.9	0	0	0	0	0	111.6	L608 I611 D684 I685 S691 L692	L608-A688 HydrophobicContact CD2-CB 4Å; I611-A688 HydrophobicContact CD1-CB 4.2Å; I611-A688 HydrophobicContact CG2-CB 4.31Å; D684-A688 WeakPolarHBondContact O-CB 3.45Å; D684-A688 PolarHBondContact O-N 2.91Å; I685-A688 PolarHBondContact O-N 3.49Å; A688-S691 WeakPolarHBondContact O-CB 3.09Å; A688-S691 PolarHBondContact O-N 2.83Å; A688-L692 PolarHBondContact O-N 2.86Å
689	W	92.7	Very high	88.3	Confident	8 Å²	8	44.6 Å²	44.6	3%	0.03	27%	0.273	C	S	.	.	H	α-helix	trans	-66	-42.7	175.4	-167.6	-86.5	0	0	0	112.1	L607 W610 I611 K648 V649 K652 I685 N686 N687 S691 L692 E693	L607-W689 HydrophobicContact CD1-CZ3 4.14Å; W610-W689 HydrophobicContact CZ3-CH2 4.36Å; W610-W689 HydrophobicContact CZ3-CZ3 4.02Å; I611-W689 HydrophobicContact CD1-CE3 3.94Å; I611-W689 HydrophobicContact CG1-CE3 4.4Å; K648-W689 HydrophobicContact CB-CH2 4.21Å; K648-W689 HydrophobicContact CB-CZ3 4.4Å; V649-W689 HydrophobicContact CG2-CH2 4.07Å; V649-W689 HydrophobicContact CG2-CZ2 3.76Å; K652-W689 HydrophobicContact CD-CD2 3.97Å; K652-W689 HydrophobicContact CD-CE3 4.34Å; K652-W689 HydrophobicContact CD-CG 4.12Å; I685-W689 VanDerWaalsContact O-CB 3.24Å; I685-W689 WeakPolarHBondContact O-CB 3.34Å; I685-W689 PolarHBondContact O-N 2.96Å; N686-W689 PolarHBondContact O-N 3.11Å; N687-W689 VanDerWaalsContact C-N 3.34Å; W689-S691 VanDerWaalsContact C-N 3.28Å; W689-S691 PolarHBondContact O-N 3.25Å; W689-L692 HydrophobicContact CE3-CD2 4.38Å; W689-L692 HydrophobicContact CZ3-CD2 4.32Å; W689-L692 WeakPolarHBondContact O-CB 3.48Å; W689-L692 PolarHBondContact O-N 2.89Å; W689-L692 VanDerWaalsContact O-N 3.16Å; W689-E693 VanDerWaalsContact CD1-OE1 3.26Å; W689-E693 PolarHBondContact NE1-OE1 3.08Å; W689-E693 PolarHBondContact O-N 2.98Å
690	G	89.8	Confident	88.8	Confident	36 Å²	36	46.3 Å²	46.3	37%	0.371	27%	0.271	S	S	.	.	H	α-helix	trans	-61.9	-35.6	173.6	0	0	0	0	0	112.8	N686 N687 E693 G694	N686-G690 PolarHBondContact O-N 2.95Å; N687-G690 PolarHBondContact O-N 3.26Å; G690-E693 PolarHBondContact O-N 3.3Å; G690-G694 PolarHBondContact O-N 3.11Å
691	S	90.6	Very high	88.8	Confident	73 Å²	73	49 Å²	49	51%	0.51	28%	0.284	S	S	.	.	H	α-helix	trans	-65.4	-39.6	173.8	-56.4	0	0	0	0	112	N687 A688 W689 G694 A695	N687-S691 PolarHBondContact O-N 3.44Å; N687-S691 PolarHBondContact O-OG 3.45Å; A688-S691 WeakPolarHBondContact O-CB 3.09Å; A688-S691 PolarHBondContact O-N 2.83Å; W689-S691 VanDerWaalsContact C-N 3.28Å; W689-S691 PolarHBondContact O-N 3.25Å; S691-G694 PolarHBondContact O-N 2.9Å; S691-A695 PolarHBondContact O-N 2.73Å
692	L	92.4	Very high	89.2	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-62.4	-47.2	173.6	179.2	72.9	0	0	0	111.6	W610 I611 T614 I615 L618 A688 W689 G694 A695 E696	W610-L692 HydrophobicContact CH2-CD2 3.98Å; W610-L692 HydrophobicContact CZ3-CD2 3.56Å; I611-L692 HydrophobicContact CG1-CD2 4.44Å; I611-L692 HydrophobicContact CG2-CB 4.3Å; T614-L692 HydrophobicContact CG2-CD1 4.07Å; I615-L692 HydrophobicContact CG1-CB 4.41Å; I615-L692 HydrophobicContact CG1-CD1 3.9Å; L618-L692 HydrophobicContact CD1-CD1 3.6Å; A688-L692 PolarHBondContact O-N 2.86Å; W689-L692 HydrophobicContact CE3-CD2 4.38Å; W689-L692 HydrophobicContact CZ3-CD2 4.32Å; W689-L692 WeakPolarHBondContact O-CB 3.48Å; W689-L692 PolarHBondContact O-N 2.89Å; W689-L692 VanDerWaalsContact O-N 3.16Å; L692-G694 VanDerWaalsContact C-N 3.28Å; L692-G694 PolarHBondContact O-N 3.09Å; L692-A695 WeakPolarHBondContact O-CB 3.5Å; L692-A695 PolarHBondContact O-N 2.74Å; L692-A695 VanDerWaalsContact O-N 3.12Å; L692-E696 WeakPolarHBondContact O-CG 3.46Å; L692-E696 PolarHBondContact O-N 2.82Å
693	E	88.8	Confident	89.2	Confident	95 Å²	95	45.6 Å²	45.6	44%	0.444	26%	0.263	S	S	.	.	H	α-helix	trans	-61.8	-37.1	177.5	-71.1	178.8	167.5	0	0	111.9	W689 G690 E696 K697	W689-E693 VanDerWaalsContact CD1-OE1 3.26Å; W689-E693 PolarHBondContact NE1-OE1 3.08Å; W689-E693 PolarHBondContact O-N 2.98Å; G690-E693 PolarHBondContact O-N 3.3Å; E693-E696 PolarHBondContact O-N 3.48Å; E693-K697 PolarHBondContact O-N 3.05Å
694	G	88.9	Confident	89.3	Confident	47 Å²	47	46.4 Å²	46.4	49%	0.485	26%	0.262	S	S	.	.	H	α-helix	trans	-60.9	-45.1	170.9	0	0	0	0	0	112.9	G690 S691 L692 G698	G690-G694 PolarHBondContact O-N 3.11Å; S691-G694 PolarHBondContact O-N 2.9Å; L692-G694 VanDerWaalsContact C-N 3.28Å; L692-G694 PolarHBondContact O-N 3.09Å; G694-G698 PolarHBondContact O-N 3.02Å; G694-G698 VanDerWaalsContact O-N 3.1Å
695	A	91	Very high	89.2	Confident	11 Å²	11	48.4 Å²	48.4	9%	0.091	27%	0.273	C	S	.	.	H	α-helix	trans	-64.8	-41.3	177	0	0	0	0	0	112.2	L618 E619 S691 L692 G698 Y699	L618-A695 HydrophobicContact CB-CB 4.09Å; L618-A695 HydrophobicContact CD1-CB 4.32Å; E619-A695 HydrophobicContact CG-CB 4.39Å; S691-A695 PolarHBondContact O-N 2.73Å; L692-A695 WeakPolarHBondContact O-CB 3.5Å; L692-A695 PolarHBondContact O-N 2.74Å; L692-A695 VanDerWaalsContact O-N 3.12Å; A695-G698 PolarHBondContact O-N 3.41Å; A695-Y699 WeakPolarHBondContact O-CB 3.29Å; A695-Y699 PolarHBondContact O-N 3.22Å
696	E	89.4	Confident	89.1	Confident	16 Å²	16	49.2 Å²	49.2	8%	0.075	28%	0.277	C	S	.	.	H	α-helix	trans	-60.3	-48.3	176	-74.3	-178.9	175.1	0	0	112.2	L618 Y640 K645 L692 E693 G698 Y699 E700	L618-E696 HydrophobicContact CD1-CG 3.55Å; L618-E696 HydrophobicContact CD2-CG 4.36Å; Y640-E696 HydrophobicContact CE1-CG 4.25Å; Y640-E696 VanDerWaalsContact CE1-OE1 3.27Å; Y640-E696 WeakPolarHBondContact CE1-OE1 3.29Å; Y640-E696 PolarHBondContact OH-OE1 2.74Å; K645-E696 WeakPolarHBondContact CD-OE1 3.33Å; K645-E696 WeakPolarHBondContact CE-OE1 3.19Å; K645-E696 IonicContact NZ-OE1 3.21Å; K645-E696 PolarHBondContact NZ-OE1 3.46Å; K645-E696 IonicContact NZ-OE2 2.64Å; K645-E696 PolarHBondContact NZ-OE2 2.95Å; L692-E696 WeakPolarHBondContact O-CG 3.46Å; L692-E696 PolarHBondContact O-N 2.82Å; E693-E696 PolarHBondContact O-N 3.48Å; E696-G698 VanDerWaalsContact C-N 3.3Å; E696-G698 PolarHBondContact O-N 3.49Å; E696-Y699 PolarHBondContact O-N 3.4Å; E696-E700 PolarHBondContact O-N 2.78Å
697	K	88.3	Confident	89	Confident	132 Å²	132	47.6 Å²	47.6	57%	0.574	27%	0.268	S	S	*	.	H	α-helix	trans	-58.9	-45.5	177.8	-176.8	179.4	176.4	-178.9	0	110.9	E693 Y699 E700 E701	E693-K697 PolarHBondContact O-N 3.05Å; K697-Y699 VanDerWaalsContact C-N 3.33Å; K697-Y699 PolarHBondContact O-N 2.94Å; K697-E700 PolarHBondContact O-N 2.81Å; K697-E701 WeakPolarHBondContact CE-OE1 3.41Å; K697-E701 WeakPolarHBondContact O-CB 3.41Å; K697-E701 WeakPolarHBondContact O-CG 3.42Å; K697-E701 PolarHBondContact O-N 3.41Å
698	G	88.5	Confident	88.8	Confident	17 Å²	17	49.5 Å²	49.5	18%	0.175	27%	0.267	C	S	.	.	H	α-helix	trans	-63.4	-36.6	177.3	0	0	0	0	0	113.5	G694 A695 E696 W702	G694-G698 PolarHBondContact O-N 3.02Å; G694-G698 VanDerWaalsContact O-N 3.1Å; A695-G698 PolarHBondContact O-N 3.41Å; E696-G698 VanDerWaalsContact C-N 3.3Å; E696-G698 PolarHBondContact O-N 3.49Å; G698-W702 VanDerWaalsContact O-CB 3.31Å; G698-W702 WeakPolarHBondContact O-CB 3.48Å; G698-W702 PolarHBondContact O-N 2.94Å
699	Y	91.3	Very high	88.7	Confident	8 Å²	8	51.6 Å²	51.6	3%	0.031	27%	0.27	C	S	.	.	H	α-helix	trans	-71.9	-41.8	178.5	-170.5	-114.8	0	0	0	112.4	L618 F637 A695 E696 K697 W702 L703	L618-Y699 HydrophobicContact CD2-CD1 3.9Å; L618-Y699 HydrophobicContact CD2-CG 4.24Å; L618-Y699 WeakPolarHBondContact O-CB 3.48Å; L618-Y699 WeakPolarHBondContact O-CD2 3.27Å; F637-Y699 HydrophobicContact CB-CE1 4.27Å; F637-Y699 AromaticContact CD2-CD1 3.66Å; F637-Y699 HydrophobicContact CD2-CD1 3.66Å; F637-Y699 AromaticContact CD2-CE1 3.88Å; F637-Y699 HydrophobicContact CD2-CE1 3.88Å; F637-Y699 AromaticContact CE2-CD1 3.87Å; F637-Y699 HydrophobicContact CE2-CD1 3.87Å; F637-Y699 HydrophobicContact CG-CD1 4.22Å; F637-Y699 HydrophobicContact CG-CE1 4.22Å; A695-Y699 WeakPolarHBondContact O-CB 3.29Å; A695-Y699 PolarHBondContact O-N 3.22Å; E696-Y699 PolarHBondContact O-N 3.4Å; K697-Y699 VanDerWaalsContact C-N 3.33Å; K697-Y699 PolarHBondContact O-N 2.94Å; Y699-W702 AromaticContact CD2-CE3 3.72Å; Y699-W702 HydrophobicContact CD2-CE3 3.72Å; Y699-W702 HydrophobicContact CD2-CZ3 4.04Å; Y699-W702 AromaticContact CE2-CE3 3.6Å; Y699-W702 HydrophobicContact CE2-CE3 3.6Å; Y699-W702 AromaticContact CE2-CZ3 3.4Å; Y699-W702 HydrophobicContact CE2-CZ3 3.4Å; Y699-W702 PolarHBondContact O-N 3.06Å; Y699-L703 HydrophobicContact CD1-CD1 3.68Å; Y699-L703 HydrophobicContact CD1-CG 4.35Å; Y699-L703 HydrophobicContact CE1-CD1 3.37Å; Y699-L703 HydrophobicContact CE1-CG 4.06Å; Y699-L703 HydrophobicContact CE2-CG 4.49Å; Y699-L703 HydrophobicContact CG-CD1 4.44Å; Y699-L703 WeakPolarHBondContact O-CB 3.42Å; Y699-L703 WeakPolarHBondContact O-CG 3.24Å; Y699-L703 PolarHBondContact O-N 3.49Å
700	E	86.9	Confident	88.4	Confident	75 Å²	75	51.7 Å²	51.7	35%	0.35	27%	0.271	S	S	.	.	H	α-helix	trans	-62.7	-47.2	175.8	-177.7	167.3	-148.1	0	0	111.4	F637 R641 E696 K697 W702 L703 L704	F637-E700 HydrophobicContact CE1-CB 3.99Å; F637-E700 HydrophobicContact CE1-CG 4.23Å; F637-E700 HydrophobicContact CZ-CB 4.15Å; R641-E700 IonicContact NH1-OE1 3.83Å; R641-E700 PolarHBondContact NH1-OE1 2.9Å; R641-E700 IonicContact NH1-OE2 2.67Å; R641-E700 PolarHBondContact NH1-OE2 2.67Å; E696-E700 PolarHBondContact O-N 2.78Å; K697-E700 PolarHBondContact O-N 2.81Å; E700-W702 VanDerWaalsContact C-N 3.33Å; E700-W702 PolarHBondContact O-N 2.86Å; E700-L703 PolarHBondContact O-N 3.33Å; E700-L704 HydrophobicContact CG-CD1 4.16Å; E700-L704 VanDerWaalsContact O-CG 3.3Å; E700-L704 WeakPolarHBondContact O-CG 3.41Å; E700-L704 PolarHBondContact O-N 2.79Å
701	E	87.6	Confident	88.2	Confident	101 Å²	101	55.2 Å²	55.2	47%	0.472	28%	0.278	S	S	.	.	H	α-helix	trans	-59.7	-43.3	175.2	-74.1	177.5	-172.3	0	0	111.8	K697 N705	K697-E701 WeakPolarHBondContact CE-OE1 3.41Å; K697-E701 WeakPolarHBondContact O-CB 3.41Å; K697-E701 WeakPolarHBondContact O-CG 3.42Å; K697-E701 PolarHBondContact O-N 3.41Å; E701-N705 WeakPolarHBondContact O-CB 3.37Å; E701-N705 PolarHBondContact O-N 3.47Å; E701-N705 PolarHBondContact O-ND2 3.31Å; E701-N705 VanDerWaalsContact O-ND2 3.13Å
702	W	92.5	Very high	88	Confident	36 Å²	36	58.4 Å²	58.4	14%	0.136	28%	0.278	C	S	.	.	H	α-helix	trans	-63.2	-48.6	176.7	170.2	76.1	0	0	0	112.5	R621 L622 M630 G698 Y699 E700 L704 N705 E706	R621-W702 VanDerWaalsContact C-CZ2 3.45Å; R621-W702 HydrophobicContact CB-CD2 4.14Å; R621-W702 HydrophobicContact CB-CG 4.36Å; R621-W702 HydrophobicContact CB-CZ2 4.29Å; R621-W702 HydrophobicContact CG-CD2 4.13Å; R621-W702 HydrophobicContact CG-CG 4.12Å; L622-W702 WeakPolarHBondContact O-CH2 3.46Å; M630-W702 HydrophobicContact CE-CH2 3.95Å; M630-W702 HydrophobicContact CE-CZ2 4.4Å; M630-W702 HydrophobicContact CE-CZ3 4.24Å; M630-W702 HydrophobicContact SD-CH2 4.48Å; G698-W702 VanDerWaalsContact O-CB 3.31Å; G698-W702 WeakPolarHBondContact O-CB 3.48Å; G698-W702 PolarHBondContact O-N 2.94Å; Y699-W702 AromaticContact CD2-CE3 3.72Å; Y699-W702 HydrophobicContact CD2-CE3 3.72Å; Y699-W702 HydrophobicContact CD2-CZ3 4.04Å; Y699-W702 AromaticContact CE2-CE3 3.6Å; Y699-W702 HydrophobicContact CE2-CE3 3.6Å; Y699-W702 AromaticContact CE2-CZ3 3.4Å; Y699-W702 HydrophobicContact CE2-CZ3 3.4Å; Y699-W702 PolarHBondContact O-N 3.06Å; E700-W702 VanDerWaalsContact C-N 3.33Å; E700-W702 PolarHBondContact O-N 2.86Å; W702-L704 VanDerWaalsContact C-N 3.32Å; W702-L704 PolarHBondContact O-N 3.44Å; W702-N705 PolarHBondContact O-N 3.42Å; W702-E706 WeakPolarHBondContact O-CB 3.4Å; W702-E706 PolarHBondContact O-N 2.84Å
703	L	87.4	Confident	87.7	Confident	1 Å²	1	58.8 Å²	58.8	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-56.3	-46.8	177.9	-83	170.5	0	0	0	111.4	M630 K633 L634 F637 Y699 E700 E706 I707	M630-L703 HydrophobicContact CE-CD2 3.62Å; K633-L703 HydrophobicContact CB-CD2 4.02Å; L634-L703 HydrophobicContact CD1-CD1 4.45Å; F637-L703 HydrophobicContact CB-CD1 4.17Å; F637-L703 HydrophobicContact CD1-CD1 4.32Å; F637-L703 HydrophobicContact CG-CD1 4.24Å; Y699-L703 HydrophobicContact CD1-CD1 3.68Å; Y699-L703 HydrophobicContact CD1-CG 4.35Å; Y699-L703 HydrophobicContact CE1-CD1 3.37Å; Y699-L703 HydrophobicContact CE1-CG 4.06Å; Y699-L703 HydrophobicContact CE2-CG 4.49Å; Y699-L703 HydrophobicContact CG-CD1 4.44Å; Y699-L703 WeakPolarHBondContact O-CB 3.42Å; Y699-L703 WeakPolarHBondContact O-CG 3.24Å; Y699-L703 PolarHBondContact O-N 3.49Å; E700-L703 PolarHBondContact O-N 3.33Å; L703-E706 PolarHBondContact O-N 2.93Å; L703-I707 WeakPolarHBondContact O-CB 3.5Å; L703-I707 VanDerWaalsContact O-CG1 3.27Å; L703-I707 WeakPolarHBondContact O-CG1 3.35Å; L703-I707 PolarHBondContact O-N 3.41Å
704	L	85.6	Confident	87.6	Confident	80 Å²	80	58 Å²	58	42%	0.419	28%	0.28	S	S	.	.	H	α-helix	trans	-68.6	-36.2	179.9	-67.1	174.1	0	0	0	112.5	E700 W702 R708	E700-L704 HydrophobicContact CG-CD1 4.16Å; E700-L704 VanDerWaalsContact O-CG 3.3Å; E700-L704 WeakPolarHBondContact O-CG 3.41Å; E700-L704 PolarHBondContact O-N 2.79Å; W702-L704 VanDerWaalsContact C-N 3.32Å; W702-L704 PolarHBondContact O-N 3.44Å; L704-R708 WeakPolarHBondContact O-CB 3.21Å; L704-R708 VanDerWaalsContact O-CG 3.24Å; L704-R708 WeakPolarHBondContact O-CG 3.34Å; L704-R708 PolarHBondContact O-N 3.18Å; L704-R708 PolarHBondContact O-NE 3.13Å; L704-R708 VanDerWaalsContact O-NE 3.11Å
705	N	86.6	Confident	87.4	Confident	87 Å²	87	61.7 Å²	61.7	47%	0.465	28%	0.284	S	S	.	.	H	α-helix	trans	-66	-43	174.2	-74	-23.5	0	0	0	111.7	E701 W702 R708 R709	E701-N705 WeakPolarHBondContact O-CB 3.37Å; E701-N705 PolarHBondContact O-N 3.47Å; E701-N705 PolarHBondContact O-ND2 3.31Å; E701-N705 VanDerWaalsContact O-ND2 3.13Å; W702-N705 PolarHBondContact O-N 3.42Å; N705-R708 PolarHBondContact O-N 2.63Å; N705-R708 PolarHBondContact OD1-NH2 3.33Å; N705-R709 WeakPolarHBondContact O-CB 3.48Å; N705-R709 PolarHBondContact O-N 2.72Å
706	E	86.3	Confident	87.4	Confident	20 Å²	20	61.6 Å²	61.6	9%	0.093	28%	0.282	C	S	.	.	H	α-helix	trans	-72.6	-38.3	-177.1	-170.2	61.2	-163	0	0	112.3	P623 M630 W702 L703 R708 R709 L710	P623-E706 HydrophobicContact CB-CG 4.5Å; M630-E706 HydrophobicContact CE-CB 3.82Å; M630-E706 HydrophobicContact CE-CG 3.7Å; M630-E706 HydrophobicContact SD-CG 4.29Å; W702-E706 WeakPolarHBondContact O-CB 3.4Å; W702-E706 PolarHBondContact O-N 2.84Å; L703-E706 PolarHBondContact O-N 2.93Å; E706-R708 VanDerWaalsContact C-N 3.34Å; E706-R708 PolarHBondContact O-N 2.89Å; E706-R709 VanDerWaalsContact CD-NE 3.33Å; E706-R709 WeakPolarHBondContact O-CB 3.42Å; E706-R709 PolarHBondContact O-N 2.66Å; E706-R709 IonicContact OE1-CZ 3.95Å; E706-R709 VanDerWaalsContact OE1-CZ 3.24Å; E706-R709 IonicContact OE1-NE 2.92Å; E706-R709 PolarHBondContact OE1-NE 3.37Å; E706-R709 IonicContact OE1-NH2 3.3Å; E706-R709 PolarHBondContact OE1-NH2 2.89Å; E706-R709 IonicContact OE2-CZ 3.67Å; E706-R709 IonicContact OE2-NE 3.18Å; E706-R709 PolarHBondContact OE2-NE 2.85Å; E706-L710 WeakPolarHBondContact O-CG 3.32Å; E706-L710 PolarHBondContact O-N 2.92Å
707	I	85.7	Confident	87.3	Confident	23 Å²	23	61 Å²	61	12%	0.118	28%	0.28	C	S	.	.	H	α-helix	trans	-60.7	-44.7	172	-70.9	168.3	0	0	0	110.5	M630 L634 L703 R709 L710 E711	M630-I707 HydrophobicContact CB-CG1 3.92Å; L634-I707 HydrophobicContact CB-CD1 4.43Å; L634-I707 HydrophobicContact CD2-CD1 4.13Å; L703-I707 WeakPolarHBondContact O-CB 3.5Å; L703-I707 VanDerWaalsContact O-CG1 3.27Å; L703-I707 WeakPolarHBondContact O-CG1 3.35Å; L703-I707 PolarHBondContact O-N 3.41Å; I707-R709 VanDerWaalsContact C-N 3.33Å; I707-R709 PolarHBondContact O-N 3.06Å; I707-L710 PolarHBondContact O-N 3.15Å; I707-E711 WeakPolarHBondContact O-CB 3.3Å; I707-E711 PolarHBondContact O-N 3.29Å
708	R	84.5	Confident	87.3	Confident	149 Å²	149	58 Å²	58	56%	0.562	27%	0.268	S	S	*	.	H	α-helix	trans	-63	-37.9	175.5	-74.9	-176.2	-72.1	-169.8	-1.9	112.5	L704 N705 E706 R712	L704-R708 WeakPolarHBondContact O-CB 3.21Å; L704-R708 VanDerWaalsContact O-CG 3.24Å; L704-R708 WeakPolarHBondContact O-CG 3.34Å; L704-R708 PolarHBondContact O-N 3.18Å; L704-R708 PolarHBondContact O-NE 3.13Å; L704-R708 VanDerWaalsContact O-NE 3.11Å; N705-R708 PolarHBondContact O-N 2.63Å; N705-R708 PolarHBondContact OD1-NH2 3.33Å; E706-R708 VanDerWaalsContact C-N 3.34Å; E706-R708 PolarHBondContact O-N 2.89Å; R708-R712 WeakPolarHBondContact O-CB 3.48Å; R708-R712 PolarHBondContact O-N 3.36Å
709	R	88.4	Confident	87.2	Confident	68 Å²	68	61.2 Å²	61.2	26%	0.257	28%	0.277	S	S	.	.	H	α-helix	trans	-64	-48.3	176.3	-169.1	-172.5	75.5	84.9	4.3	111.3	N705 E706 I707 R712 L713 L785	N705-R709 WeakPolarHBondContact O-CB 3.48Å; N705-R709 PolarHBondContact O-N 2.72Å; E706-R709 VanDerWaalsContact CD-NE 3.33Å; E706-R709 WeakPolarHBondContact O-CB 3.42Å; E706-R709 PolarHBondContact O-N 2.66Å; E706-R709 IonicContact OE1-CZ 3.95Å; E706-R709 VanDerWaalsContact OE1-CZ 3.24Å; E706-R709 IonicContact OE1-NE 2.92Å; E706-R709 PolarHBondContact OE1-NE 3.37Å; E706-R709 IonicContact OE1-NH2 3.3Å; E706-R709 PolarHBondContact OE1-NH2 2.89Å; E706-R709 IonicContact OE2-CZ 3.67Å; E706-R709 IonicContact OE2-NE 3.18Å; E706-R709 PolarHBondContact OE2-NE 2.85Å; I707-R709 VanDerWaalsContact C-N 3.33Å; I707-R709 PolarHBondContact O-N 3.06Å; R709-R712 PolarHBondContact O-N 3.49Å; R709-L713 VanDerWaalsContact NH1-CD1 3.32Å; R709-L713 WeakPolarHBondContact O-CG 3.29Å; R709-L713 PolarHBondContact O-N 2.85Å; R709-L785 HydrophobicContact CG-CD2 4.47Å; R709-L785 PolarHBondContact NH1-O 3.01Å
710	L	86.1	Confident	87.2	Confident	11 Å²	11	61 Å²	61	6%	0.058	28%	0.276	C	S	.	.	H	α-helix	trans	-65.5	-41.7	179	-71.7	172	0	0	0	112.1	M630 E706 I707 R712 L713 D714	M630-L710 HydrophobicContact CB-CD1 4.24Å; M630-L710 HydrophobicContact CG-CD1 3.48Å; M630-L710 VanDerWaalsContact CG-CD1 3.48Å; E706-L710 WeakPolarHBondContact O-CG 3.32Å; E706-L710 PolarHBondContact O-N 2.92Å; I707-L710 PolarHBondContact O-N 3.15Å; L710-R712 VanDerWaalsContact C-N 3.32Å; L710-R712 PolarHBondContact O-N 2.99Å; L710-L713 HydrophobicContact CD2-CD1 4.34Å; L710-L713 WeakPolarHBondContact O-CB 3.49Å; L710-L713 PolarHBondContact O-N 2.94Å; L710-D714 PolarHBondContact O-N 3.28Å
711	E	84.8	Confident	87.3	Confident	109 Å²	109	63.3 Å²	63.3	51%	0.509	28%	0.282	S	S	.	.	H	α-helix	trans	-61.2	-41.3	174.7	-175.1	176	-158.4	0	0	111.5	I707 H715	I707-E711 WeakPolarHBondContact O-CB 3.3Å; I707-E711 PolarHBondContact O-N 3.29Å; E711-H715 WeakPolarHBondContact O-CB 3.35Å; E711-H715 PolarHBondContact O-N 2.88Å
712	R	86.5	Confident	87.3	Confident	140 Å²	140	63.3 Å²	63.3	53%	0.528	28%	0.282	S	S	.	.	H	α-helix	trans	-64.2	-42.6	173.4	-176.6	176.3	-178.2	161.7	1	111.9	R708 R709 L710 H715 L716 E781	R708-R712 WeakPolarHBondContact O-CB 3.48Å; R708-R712 PolarHBondContact O-N 3.36Å; R709-R712 PolarHBondContact O-N 3.49Å; L710-R712 VanDerWaalsContact C-N 3.32Å; L710-R712 PolarHBondContact O-N 2.99Å; R712-H715 PolarHBondContact O-N 3.43Å; R712-L716 HydrophobicContact CG-CD1 3.82Å; R712-L716 HydrophobicContact CG-CG 4.18Å; R712-L716 WeakPolarHBondContact O-CB 3.1Å; R712-L716 VanDerWaalsContact O-CG 3.25Å; R712-L716 WeakPolarHBondContact O-CG 3.3Å; R712-L716 PolarHBondContact O-N 3.28Å; R712-E781 IonicContact CZ-OE1 3.17Å; R712-E781 VanDerWaalsContact CZ-OE1 3.26Å; R712-E781 IonicContact NE-OE1 2.73Å; R712-E781 PolarHBondContact NE-OE1 3.21Å; R712-E781 VanDerWaalsContact NE-OE1 3.16Å; R712-E781 IonicContact NH2-OE1 3.85Å; R712-E781 PolarHBondContact NH2-OE1 2.83Å
713	L	87.6	Confident	87.1	Confident	8 Å²	8	63.8 Å²	63.8	4%	0.042	29%	0.285	C	S	.	.	H	α-helix	trans	-60.5	-47	176.5	-82.8	176.1	0	0	0	111.9	R709 L710 H715 L716 A717 L782 L785 Y787	R709-L713 VanDerWaalsContact NH1-CD1 3.32Å; R709-L713 WeakPolarHBondContact O-CG 3.29Å; R709-L713 PolarHBondContact O-N 2.85Å; L710-L713 HydrophobicContact CD2-CD1 4.34Å; L710-L713 WeakPolarHBondContact O-CB 3.49Å; L710-L713 PolarHBondContact O-N 2.94Å; L713-H715 VanDerWaalsContact C-N 3.32Å; L713-H715 PolarHBondContact O-N 3.34Å; L713-L716 PolarHBondContact O-N 3.3Å; L713-A717 VanDerWaalsContact O-CB 3.23Å; L713-A717 WeakPolarHBondContact O-CB 3.3Å; L713-A717 PolarHBondContact O-N 2.9Å; L713-L782 HydrophobicContact CD2-CD2 3.82Å; L713-L785 HydrophobicContact CD2-CB 3.54Å; L713-L785 HydrophobicContact CD2-CD1 4.07Å; L713-L785 HydrophobicContact CD2-CG 4.47Å; L713-L785 HydrophobicContact CG-CB 4.25Å; L713-Y787 HydrophobicContact CB-CD2 4.41Å; L713-Y787 HydrophobicContact CD2-CD2 4.05Å; L713-Y787 HydrophobicContact CD2-CG 4.39Å
714	D	85.1	Confident	87.1	Confident	80 Å²	80	63.8 Å²	63.8	43%	0.428	29%	0.285	S	S	.	.	H	α-helix	trans	-62	-42.2	177.8	-79.1	-23.5	0	0	0	111.2	L710 E718	L710-D714 PolarHBondContact O-N 3.28Å; D714-E718 WeakPolarHBondContact O-CB 3.5Å; D714-E718 PolarHBondContact O-N 3.25Å
715	H	86.4	Confident	87.2	Confident	123 Å²	123	62 Å²	62	57%	0.569	28%	0.282	S	S	*	.	H	α-helix	trans	-64.4	-46.8	175.9	-172.8	77.2	0	0	0	112.5	E711 R712 L713 E718 K719	E711-H715 WeakPolarHBondContact O-CB 3.35Å; E711-H715 PolarHBondContact O-N 2.88Å; R712-H715 PolarHBondContact O-N 3.43Å; L713-H715 VanDerWaalsContact C-N 3.32Å; L713-H715 PolarHBondContact O-N 3.34Å; H715-E718 PolarHBondContact O-N 3.15Å; H715-K719 VanDerWaalsContact O-CB 3.22Å; H715-K719 WeakPolarHBondContact O-CB 3.41Å; H715-K719 PolarHBondContact O-N 3.36Å
716	L	88.9	Confident	87.2	Confident	10 Å²	10	62.4 Å²	62.4	5%	0.052	28%	0.283	C	S	.	.	H	α-helix	trans	-66	-39.3	178.8	-72.3	175	0	0	0	112	R712 L713 K719 F720 I778 E781 L782 L785	R712-L716 HydrophobicContact CG-CD1 3.82Å; R712-L716 HydrophobicContact CG-CG 4.18Å; R712-L716 WeakPolarHBondContact O-CB 3.1Å; R712-L716 VanDerWaalsContact O-CG 3.25Å; R712-L716 WeakPolarHBondContact O-CG 3.3Å; R712-L716 PolarHBondContact O-N 3.28Å; L713-L716 PolarHBondContact O-N 3.3Å; L716-K719 PolarHBondContact O-N 2.93Å; L716-F720 WeakPolarHBondContact O-CB 3.31Å; L716-F720 PolarHBondContact O-N 3.01Å; L716-I778 HydrophobicContact CB-CG2 4.49Å; L716-I778 HydrophobicContact CD2-CG2 4.41Å; L716-E781 HydrophobicContact CD1-CG 4.01Å; L716-E781 WeakPolarHBondContact CD1-OE1 3.14Å; L716-L782 HydrophobicContact CB-CD2 3.77Å; L716-L782 HydrophobicContact CB-CG 4.12Å; L716-L785 HydrophobicContact CD1-CD1 3.94Å
717	A	87.4	Confident	87.3	Confident	4 Å²	4	61.4 Å²	61.4	3%	0.033	28%	0.278	C	S	.	.	H	α-helix	trans	-67.2	-41	177.7	0	0	0	0	0	112	L713 F720 R721 L782 Y787	L713-A717 VanDerWaalsContact O-CB 3.23Å; L713-A717 WeakPolarHBondContact O-CB 3.3Å; L713-A717 PolarHBondContact O-N 2.9Å; A717-F720 PolarHBondContact O-N 3.23Å; A717-R721 WeakPolarHBondContact O-CG 3.46Å; A717-R721 PolarHBondContact O-N 2.66Å; A717-L782 HydrophobicContact CB-CD2 4.28Å; A717-Y787 HydrophobicContact CB-CE1 4.15Å; A717-Y787 HydrophobicContact CB-CE2 3.98Å; A717-Y787 WeakPolarHBondContact CB-OH 3.49Å
718	E	88.3	Confident	87.3	Confident	69 Å²	69	63.2 Å²	63.2	32%	0.322	29%	0.286	S	S	.	.	H	α-helix	trans	-63.1	-44.6	171.3	-177.1	60.5	-142.6	0	0	111	D714 H715 F720 R721 Q722	D714-E718 WeakPolarHBondContact O-CB 3.5Å; D714-E718 PolarHBondContact O-N 3.25Å; H715-E718 PolarHBondContact O-N 3.15Å; E718-F720 PolarHBondContact O-N 3.25Å; E718-R721 PolarHBondContact O-N 3.27Å; E718-R721 IonicContact OE1-NH1 2.87Å; E718-R721 IonicContact OE2-CZ 2.69Å; E718-R721 IonicContact OE2-NH1 3.39Å; E718-R721 PolarHBondContact OE2-NH1 3.39Å; E718-R721 IonicContact OE2-NH2 3.7Å; E718-R721 PolarHBondContact OE2-NH2 2.86Å; E718-Q722 WeakPolarHBondContact O-CB 3.42Å; E718-Q722 WeakPolarHBondContact O-CG 3.01Å; E718-Q722 PolarHBondContact O-N 2.92Å; E718-Q722 WeakPolarHBondContact OE1-CG 3.41Å; E718-Q722 PolarHBondContact OE1-NE2 3.45Å
719	K	87.7	Confident	87.3	Confident	83 Å²	83	59.2 Å²	59.2	36%	0.361	29%	0.285	S	S	.	.	H	α-helix	trans	-61.8	-40.6	177.5	-169.3	177.2	-177.2	179.6	0	112.4	H715 L716 K723 I778	H715-K719 VanDerWaalsContact O-CB 3.22Å; H715-K719 WeakPolarHBondContact O-CB 3.41Å; H715-K719 PolarHBondContact O-N 3.36Å; L716-K719 PolarHBondContact O-N 2.93Å; K719-K723 HydrophobicContact CG-CD 4.15Å; K719-K723 VanDerWaalsContact O-CB 3.31Å; K719-K723 WeakPolarHBondContact O-CB 3.46Å; K719-K723 WeakPolarHBondContact O-CG 3.37Å; K719-K723 PolarHBondContact O-N 3.42Å; K719-I778 HydrophobicContact CD-CD1 4.14Å; K719-I778 HydrophobicContact CG-CD1 4.2Å
720	F	91.1	Very high	87.2	Confident	4 Å²	4	57.5 Å²	57.5	2%	0.018	28%	0.279	C	S	.	.	H	α-helix	trans	-62.3	-49.3	172.8	176.3	-94.7	0	0	0	111	L716 A717 E718 Q722 K723 A724 I775 I778 A779 L782 V793 R796 C797	L716-F720 WeakPolarHBondContact O-CB 3.31Å; L716-F720 PolarHBondContact O-N 3.01Å; A717-F720 PolarHBondContact O-N 3.23Å; E718-F720 PolarHBondContact O-N 3.25Å; F720-Q722 VanDerWaalsContact C-N 3.33Å; F720-Q722 PolarHBondContact O-N 2.77Å; F720-K723 PolarHBondContact O-N 3.26Å; F720-A724 HydrophobicContact CE1-CB 4.37Å; F720-A724 HydrophobicContact CZ-CB 4.35Å; F720-A724 WeakPolarHBondContact O-CB 3.23Å; F720-A724 PolarHBondContact O-N 3.14Å; F720-I775 HydrophobicContact CD2-CG2 4.16Å; F720-I775 HydrophobicContact CE2-CG2 3.68Å; F720-I778 HydrophobicContact CB-CG2 3.96Å; F720-A779 HydrophobicContact CD2-CB 4.2Å; F720-A779 HydrophobicContact CE2-CB 3.86Å; F720-L782 HydrophobicContact CB-CD1 3.98Å; F720-L782 HydrophobicContact CG-CD1 4.39Å; F720-V793 HydrophobicContact CD1-CB 4.41Å; F720-V793 HydrophobicContact CD1-CG1 3.89Å; F720-V793 HydrophobicContact CD1-CG2 4.02Å; F720-V793 HydrophobicContact CD2-CG1 3.99Å; F720-V793 HydrophobicContact CE1-CB 4Å; F720-V793 HydrophobicContact CE1-CG1 3.63Å; F720-V793 HydrophobicContact CE1-CG2 3.98Å; F720-V793 HydrophobicContact CE2-CG1 3.74Å; F720-V793 HydrophobicContact CG-CG1 4.08Å; F720-V793 HydrophobicContact CZ-CB 4.25Å; F720-V793 HydrophobicContact CZ-CG1 3.55Å; F720-V793 WeakPolarHBondContact CZ-O 3.27Å; F720-R796 HydrophobicContact CZ-CB 4.46Å; F720-C797 HydrophobicContact CE2-CB 4.35Å; F720-C797 HydrophobicContact CZ-CB 4.4Å
721	R	88.4	Confident	87	Confident	123 Å²	123	57.1 Å²	57.1	46%	0.464	28%	0.277	S	S	.	.	H	α-helix	trans	-57.3	-46.1	178.3	-81.8	-172.2	-78.8	124.3	-4.8	112	A717 E718 A725	A717-R721 WeakPolarHBondContact O-CG 3.46Å; A717-R721 PolarHBondContact O-N 2.66Å; E718-R721 PolarHBondContact O-N 3.27Å; E718-R721 IonicContact OE1-NH1 2.87Å; E718-R721 IonicContact OE2-CZ 2.69Å; E718-R721 IonicContact OE2-NH1 3.39Å; E718-R721 PolarHBondContact OE2-NH1 3.39Å; E718-R721 IonicContact OE2-NH2 3.7Å; E718-R721 PolarHBondContact OE2-NH2 2.86Å; R721-A725 WeakPolarHBondContact O-CB 3.45Å; R721-A725 PolarHBondContact O-N 3.12Å
722	Q	88.6	Confident	86.9	Confident	102 Å²	102	59.4 Å²	59.4	48%	0.477	29%	0.287	S	S	.	.	H	α-helix	trans	-64.8	-51.9	177.9	-70.2	179.6	10.3	0	0	111.5	E718 F720 A724 A725 I726	E718-Q722 WeakPolarHBondContact O-CB 3.42Å; E718-Q722 WeakPolarHBondContact O-CG 3.01Å; E718-Q722 PolarHBondContact O-N 2.92Å; E718-Q722 WeakPolarHBondContact OE1-CG 3.41Å; E718-Q722 PolarHBondContact OE1-NE2 3.45Å; F720-Q722 VanDerWaalsContact C-N 3.33Å; F720-Q722 PolarHBondContact O-N 2.77Å; Q722-A724 PolarHBondContact O-N 3.36Å; Q722-A725 PolarHBondContact O-N 3.31Å; Q722-I726 WeakPolarHBondContact O-CB 3.3Å; Q722-I726 WeakPolarHBondContact O-CD1 3.05Å; Q722-I726 WeakPolarHBondContact O-CG1 3.35Å; Q722-I726 PolarHBondContact O-N 2.93Å
723	K	87.4	Confident	86.4	Confident	46 Å²	46	54.8 Å²	54.8	20%	0.2	28%	0.283	C	S	.	.	H	α-helix	trans	-64.6	-41.9	-178	-76.8	178.7	172.8	-88.7	0	112.7	K719 F720 I726 H727 I775 I778	K719-K723 HydrophobicContact CG-CD 4.15Å; K719-K723 VanDerWaalsContact O-CB 3.31Å; K719-K723 WeakPolarHBondContact O-CB 3.46Å; K719-K723 WeakPolarHBondContact O-CG 3.37Å; K719-K723 PolarHBondContact O-N 3.42Å; F720-K723 PolarHBondContact O-N 3.26Å; K723-I726 PolarHBondContact O-N 3.39Å; K723-H727 WeakPolarHBondContact O-CB 3.42Å; K723-H727 PolarHBondContact O-N 2.67Å; K723-I775 HydrophobicContact CB-CD1 4.19Å; K723-I775 HydrophobicContact CB-CG1 3.81Å; K723-I778 HydrophobicContact CD-CD1 3.76Å
724	A	87.3	Confident	86.2	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-63.9	-44.2	176.2	0	0	0	0	0	111.5	F720 Q722 H727 E728 I800	F720-A724 HydrophobicContact CE1-CB 4.37Å; F720-A724 HydrophobicContact CZ-CB 4.35Å; F720-A724 WeakPolarHBondContact O-CB 3.23Å; F720-A724 PolarHBondContact O-N 3.14Å; Q722-A724 PolarHBondContact O-N 3.36Å; A724-H727 PolarHBondContact O-N 3.12Å; A724-E728 WeakPolarHBondContact O-CB 3.28Å; A724-E728 WeakPolarHBondContact O-CG 3.35Å; A724-E728 PolarHBondContact O-N 3.44Å; A724-I800 HydrophobicContact CB-CD1 3.88Å
725	A	88.1	Confident	86	Confident	44 Å²	44	56.7 Å²	56.7	36%	0.364	29%	0.289	S	S	.	.	H	α-helix	trans	-63.8	-41.7	176.2	0	0	0	0	0	112.3	R721 Q722 H727 A729	R721-A725 WeakPolarHBondContact O-CB 3.45Å; R721-A725 PolarHBondContact O-N 3.12Å; Q722-A725 PolarHBondContact O-N 3.31Å; A725-H727 VanDerWaalsContact C-N 3.32Å; A725-H727 PolarHBondContact O-N 2.85Å; A725-A729 WeakPolarHBondContact O-CB 3.34Å; A725-A729 PolarHBondContact O-N 3.38Å
726	I	86.4	Confident	85.5	Confident	94 Å²	94	56 Å²	56	48%	0.482	29%	0.289	S	S	.	.	H	α-helix	trans	-65.3	-37	176.2	-67.5	163	0	0	0	110.9	Q722 K723 W730	Q722-I726 WeakPolarHBondContact O-CB 3.3Å; Q722-I726 WeakPolarHBondContact O-CD1 3.05Å; Q722-I726 WeakPolarHBondContact O-CG1 3.35Å; Q722-I726 PolarHBondContact O-N 2.93Å; K723-I726 PolarHBondContact O-N 3.39Å; I726-W730 WeakPolarHBondContact O-CB 3.4Å; I726-W730 PolarHBondContact O-N 3.33Å; I726-W730 VanDerWaalsContact O-N 3.07Å
727	H	87.8	Confident	84.7	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-70.3	-48.4	177.9	-176.3	86.3	0	0	0	112.2	K723 A724 A725 A729 W730 T731 V772 I775 I800 W804	K723-H727 WeakPolarHBondContact O-CB 3.42Å; K723-H727 PolarHBondContact O-N 2.67Å; A724-H727 PolarHBondContact O-N 3.12Å; A725-H727 VanDerWaalsContact C-N 3.32Å; A725-H727 PolarHBondContact O-N 2.85Å; H727-A729 VanDerWaalsContact C-N 3.3Å; H727-A729 PolarHBondContact O-N 3.2Å; H727-W730 CarbonylContact O-C 3.35Å; H727-W730 WeakPolarHBondContact O-CA 3.4Å; H727-W730 WeakPolarHBondContact O-CB 3.47Å; H727-W730 PolarHBondContact O-N 3.24Å; H727-T731 WeakPolarHBondContact NE2-CG2 3.37Å; H727-T731 PolarHBondContact O-N 2.96Å; H727-V772 WeakPolarHBondContact CE1-CG2 3.45Å; H727-I775 HydrophobicContact CB-CD1 3.68Å; H727-I800 WeakPolarHBondContact CD2-CG2 3.34Å; H727-I800 WeakPolarHBondContact NE2-CG2 3.32Å; H727-W804 AromaticContact CE1-CE3 3.54Å; H727-W804 AromaticContact CE1-CZ3 3.67Å; H727-W804 AromaticContact NE2-CE3 3.97Å
728	E	85.7	Confident	84.3	Confident	60 Å²	60	58.9 Å²	58.9	28%	0.28	30%	0.304	S	S	.	.	H	α-helix	trans	-59.8	-40.6	175.6	-70.8	166.7	174.4	0	0	111.5	A724 W730 T731 E732 R796 I800	A724-E728 WeakPolarHBondContact O-CB 3.28Å; A724-E728 WeakPolarHBondContact O-CG 3.35Å; A724-E728 PolarHBondContact O-N 3.44Å; E728-W730 PolarHBondContact O-N 2.9Å; E728-T731 PolarHBondContact O-N 3.3Å; E728-T731 PolarHBondContact O-OG1 3.12Å; E728-T731 VanDerWaalsContact O-OG1 3.08Å; E728-E732 PolarHBondContact O-N 2.98Å; E728-R796 WeakPolarHBondContact OE1-CG 3.35Å; E728-R796 IonicContact OE1-CZ 2.93Å; E728-R796 IonicContact OE1-NE 3.57Å; E728-R796 PolarHBondContact OE1-NE 2.96Å; E728-R796 IonicContact OE1-NH2 3.25Å; E728-R796 IonicContact OE2-CZ 2.63Å; E728-R796 IonicContact OE2-NE 2.67Å; E728-R796 PolarHBondContact OE2-NE 3.34Å; E728-R796 IonicContact OE2-NH2 2.77Å; E728-R796 PolarHBondContact OE2-NH2 3.41Å; E728-I800 HydrophobicContact CG-CD1 3.98Å; E728-I800 HydrophobicContact CG-CG1 3.94Å
729	A	85.4	Confident	83.8	Confident	66 Å²	66	61.9 Å²	61.9	55%	0.545	32%	0.318	S	S	.	.	H	α-helix	trans	-65.9	-26.1	173.4	0	0	0	0	0	112.9	A725 H727	A725-A729 WeakPolarHBondContact O-CB 3.34Å; A725-A729 PolarHBondContact O-N 3.38Å; H727-A729 VanDerWaalsContact C-N 3.3Å; H727-A729 PolarHBondContact O-N 3.2Å
730	W	85.8	Confident	83.3	Confident	31 Å²	31	63.8 Å²	63.8	12%	0.117	33%	0.326	C	S	.	.	H	α-helix	trans	-80.4	-35	175.5	176.6	96.2	0	0	0	112.5	I726 H727 E728 E732 K734 F761 D764 L765 H768 W804 L807	I726-W730 WeakPolarHBondContact O-CB 3.4Å; I726-W730 PolarHBondContact O-N 3.33Å; I726-W730 VanDerWaalsContact O-N 3.07Å; H727-W730 CarbonylContact O-C 3.35Å; H727-W730 WeakPolarHBondContact O-CA 3.4Å; H727-W730 WeakPolarHBondContact O-CB 3.47Å; H727-W730 PolarHBondContact O-N 3.24Å; E728-W730 PolarHBondContact O-N 2.9Å; W730-E732 VanDerWaalsContact C-N 3.32Å; W730-K734 WeakPolarHBondContact O-CE 3.33Å; W730-K734 WeakPolarHBondContact O-CG 3.49Å; W730-F761 HydrophobicContact CH2-CE2 4.24Å; W730-F761 HydrophobicContact CH2-CZ 4.48Å; W730-F761 HydrophobicContact CZ2-CE2 4.12Å; W730-D764 WeakPolarHBondContact CZ2-OD2 3.45Å; W730-D764 PolarHBondContact NE1-OD2 3.22Å; W730-L765 HydrophobicContact CH2-CD1 3.73Å; W730-L765 HydrophobicContact CZ3-CD1 4.3Å; W730-H768 AromaticContact CD1-CE1 3.27Å; W730-H768 AromaticContact CD1-NE2 3.9Å; W730-H768 AromaticContact CD2-CE1 3.6Å; W730-H768 AromaticContact CD2-ND1 3.55Å; W730-H768 AromaticContact CE2-CE1 3.57Å; W730-H768 AromaticContact CE2-ND1 3.66Å; W730-H768 AromaticContact CE3-ND1 3.95Å; W730-H768 AromaticContact CG-CE1 3.44Å; W730-H768 VanDerWaalsContact CG-CE1 3.44Å; W730-H768 AromaticContact CG-ND1 3.81Å; W730-H768 AromaticContact NE1-CE1 3.3Å; W730-H768 PolarHBondContact NE1-CE1 3.42Å; W730-H768 VanDerWaalsContact NE1-CE1 3.3Å; W730-H768 AromaticContact NE1-ND1 3.88Å; W730-H768 AromaticContact NE1-NE2 3.6Å; W730-W804 HydrophobicContact CE3-CZ3 4.34Å; W730-W804 HydrophobicContact CH2-CH2 4.29Å; W730-W804 AromaticContact CH2-CZ3 3.83Å; W730-W804 HydrophobicContact CH2-CZ3 3.83Å; W730-W804 HydrophobicContact CZ3-CE3 4.23Å; W730-W804 HydrophobicContact CZ3-CH2 4.35Å; W730-W804 AromaticContact CZ3-CZ3 3.47Å; W730-W804 HydrophobicContact CZ3-CZ3 3.47Å; W730-W804 VanDerWaalsContact CZ3-CZ3 3.47Å; W730-L807 HydrophobicContact CZ3-CD1 4.33Å
731	T	81.8	Confident	82.4	Confident	3 Å²	3	73.3 Å²	73.3	2%	0.018	36%	0.362	C	S	.	.	H	α-helix	trans	-74.5	-24.2	178.3	56.7	0	0	0	0	112.4	H727 E728 G733 K734 Q803 L807	H727-T731 WeakPolarHBondContact NE2-CG2 3.37Å; H727-T731 PolarHBondContact O-N 2.96Å; E728-T731 PolarHBondContact O-N 3.3Å; E728-T731 PolarHBondContact O-OG1 3.12Å; E728-T731 VanDerWaalsContact O-OG1 3.08Å; T731-G733 PolarHBondContact O-N 3.45Å; T731-K734 PolarHBondContact O-N 3.43Å; T731-Q803 PolarHBondContact OG1-OE1 3.42Å; T731-L807 HydrophobicContact CG2-CD1 3.9Å
732	E	82.5	Confident	81.4	Confident	157 Å²	157	70 Å²	70	73%	0.734	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	123.1	177.1	-166.5	174.2	-165.9	0	0	112.1	E728 W730 K734	E728-E732 PolarHBondContact O-N 2.98Å; W730-E732 VanDerWaalsContact C-N 3.32Å; E732-K734 VanDerWaalsContact C-N 3.26Å; E732-K734 PolarHBondContact O-N 3.48Å
733	G	77	Confident	80.3	Confident	43 Å²	43	67.1 Å²	67.1	44%	0.443	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.1	-0.7	177.6	0	0	0	0	0	116.2	T731 L737	T731-G733 PolarHBondContact O-N 3.45Å; G733-L737 PolarHBondContact O-N 3.22Å
734	K	82.7	Confident	79	Confident	52 Å²	52	71.9 Å²	71.9	23%	0.226	36%	0.362	C	S	.	.	H	α-helix	trans	-72.6	-35	176.1	-59	-59.4	-170	170.3	0	112.6	W730 T731 E732 D736 L737 L738 F761 L807	W730-K734 WeakPolarHBondContact O-CE 3.33Å; W730-K734 WeakPolarHBondContact O-CG 3.49Å; T731-K734 PolarHBondContact O-N 3.43Å; E732-K734 VanDerWaalsContact C-N 3.26Å; E732-K734 PolarHBondContact O-N 3.48Å; K734-D736 VanDerWaalsContact C-N 3.3Å; K734-D736 PolarHBondContact O-N 3.03Å; K734-L737 HydrophobicContact CD-CD2 4.44Å; K734-L737 WeakPolarHBondContact O-CB 3.3Å; K734-L737 PolarHBondContact O-N 2.88Å; K734-L738 WeakPolarHBondContact O-CG 3.41Å; K734-L738 PolarHBondContact O-N 3.38Å; K734-L738 VanDerWaalsContact O-N 3.09Å; K734-F761 HydrophobicContact CB-CE2 4.28Å; K734-F761 HydrophobicContact CB-CZ 4.26Å; K734-F761 HydrophobicContact CD-CE2 3.91Å; K734-F761 HydrophobicContact CG-CE2 4.26Å; K734-L807 HydrophobicContact CB-CD2 3.88Å
735	E	80.4	Confident	77.7	Confident	76 Å²	76	77.7 Å²	77.7	36%	0.355	40%	0.397	S	S	.	.	H	α-helix	trans	-59.1	-42	174.1	-68.1	-176.3	-170.1	0	0	111.5	L807 M810	E735-L807 HydrophobicContact CB-CD2 4.47Å; E735-L807 HydrophobicContact CG-CD2 3.57Å; E735-L807 HydrophobicContact CG-CG 4.24Å; E735-M810 HydrophobicContact CB-CE 3.72Å; E735-M810 HydrophobicContact CG-CE 4.06Å; E735-M810 WeakPolarHBondContact O-CE 3.2Å
736	D	75.9	Confident	76.3	Confident	109 Å²	109	76.1 Å²	76.1	58%	0.583	38%	0.384	S	S	*	.	H	α-helix	trans	-71.5	-30.9	176.8	-65.5	-37.7	0	0	0	113.1	K734	K734-D736 VanDerWaalsContact C-N 3.3Å; K734-D736 PolarHBondContact O-N 3.03Å
737	L	73.9	Confident	74.9	Confident	64 Å²	64	71.9 Å²	71.9	34%	0.335	36%	0.363	S	S	.	.	H	α-helix	trans	-67.7	-42	177.4	-178.3	69.3	0	0	0	111.6	G733 K734 Q739 K740	G733-L737 PolarHBondContact O-N 3.22Å; K734-L737 HydrophobicContact CD-CD2 4.44Å; K734-L737 WeakPolarHBondContact O-CB 3.3Å; K734-L737 PolarHBondContact O-N 2.88Å; L737-Q739 PolarHBondContact O-N 2.99Å; L737-K740 HydrophobicContact CD1-CD 4.44Å; L737-K740 PolarHBondContact O-N 2.96Å
738	L	78.3	Confident	73.5	Confident	11 Å²	11	71.9 Å²	71.9	6%	0.058	36%	0.363	C	S	.	.	H	α-helix	trans	-63.9	-20.3	-179.2	-73.3	174.2	0	0	0	113.1	K734 F761 L807 M810 T811 R814	K734-L738 WeakPolarHBondContact O-CG 3.41Å; K734-L738 PolarHBondContact O-N 3.38Å; K734-L738 VanDerWaalsContact O-N 3.09Å; L738-F761 HydrophobicContact CD1-CE1 3.81Å; L738-F761 HydrophobicContact CD1-CZ 4.06Å; L738-F761 HydrophobicContact CD2-CD1 3.89Å; L738-F761 HydrophobicContact CD2-CE1 3.58Å; L738-F761 HydrophobicContact CD2-CZ 4.27Å; L738-F761 HydrophobicContact CG-CE1 4.01Å; L738-F761 HydrophobicContact CG-CZ 4.27Å; L738-L807 HydrophobicContact CD1-CD2 4.01Å; L738-M810 HydrophobicContact CB-CB 4.24Å; L738-M810 HydrophobicContact CD1-CB 3.71Å; L738-T811 HydrophobicContact CD2-CG2 4.23Å; L738-R814 WeakPolarHBondContact O-CD 3.27Å
739	Q	77.3	Confident	72	Confident	132 Å²	132	71.2 Å²	71.2	62%	0.617	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-3.3	-179.4	-64	-178.5	7.6	0	0	114.9	L737 M810	L737-Q739 PolarHBondContact O-N 2.99Å; Q739-M810 HydrophobicContact CG-CE 4.38Å; Q739-M810 HydrophobicContact CG-SD 4.21Å; Q739-M810 PolarHBondContact NE2-SD 3.02Å
740	K	77.3	Confident	71	Confident	122 Å²	122	72.4 Å²	72.4	53%	0.53	36%	0.359	S	S	.	.			trans	-78.8	157.2	-177.1	-69.6	178.5	-174.8	173	0	114.2	L737 R814	L737-K740 HydrophobicContact CD1-CD 4.44Å; L737-K740 PolarHBondContact O-N 2.96Å; K740-R814 PolarHBondContact O-NH1 3.46Å
741	R	71.6	Confident	70.2	Confident	204 Å²	204	71 Å²	71	77%	0.77	35%	0.354	S	S	*	.			trans	-121.5	64.3	-179.9	-62.3	-171.3	-177.9	-170.6	0.1	113.4	Y743	R741-Y743 HydrophobicContact CB-CE1 4.07Å; R741-Y743 HydrophobicContact CG-CE1 4.36Å
742	D	67.6	Low	69.3	Low	54 Å²	54	72.9 Å²	72.9	29%	0.289	36%	0.362	S	S	.	.			trans	-95.4	-1.5	-167.9	49.1	-17.9	0	0	0	115.5	E744 L754 R814	D742-E744 PolarHBondContact O-N 3.31Å; D742-L754 WeakPolarHBondContact OD2-CD2 3.43Å; D742-R814 VanDerWaalsContact CG-NH2 3.29Å; D742-R814 IonicContact OD1-CZ 3.37Å; D742-R814 VanDerWaalsContact OD1-CZ 3.25Å; D742-R814 IonicContact OD1-NH1 3.58Å; D742-R814 PolarHBondContact OD1-NH1 2.84Å; D742-R814 IonicContact OD1-NH2 3.18Å; D742-R814 PolarHBondContact OD1-NH2 2.79Å; D742-R814 IonicContact OD2-CZ 3.81Å; D742-R814 IonicContact OD2-NH2 2.66Å; D742-R814 PolarHBondContact OD2-NH2 2.61Å
743	Y	67.1	Low	68.1	Low	42 Å²	42	66.8 Å²	66.8	17%	0.165	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	1.7	-171.7	56.4	-101.9	0	0	0	115.5	R741 I751 A817 L818	R741-Y743 HydrophobicContact CB-CE1 4.07Å; R741-Y743 HydrophobicContact CG-CE1 4.36Å; Y743-I751 WeakPolarHBondContact O-CD1 3.49Å; Y743-A817 HydrophobicContact CD1-CB 4.45Å; Y743-A817 HydrophobicContact CE1-CB 4.08Å; Y743-L818 VanDerWaalsContact CB-CD2 3.45Å; Y743-L818 HydrophobicContact CD1-CD2 4.41Å; Y743-L818 HydrophobicContact CG-CD2 4.24Å
744	E	58.9	Low	67.9	Low	146 Å²	146	65.6 Å²	65.6	68%	0.682	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-15.6	-174.6	-63.6	-177.6	171.1	0	0	114	D742	D742-E744 PolarHBondContact O-N 3.31Å
745	T	60.9	Low	67.2	Low	122 Å²	122	63.9 Å²	63.9	75%	0.748	32%	0.315	S	S	*	.	S	Bend	trans	-117.1	18.3	179.3	53.4	0	0	0	0	112.9
746	A	58.9	Low	66.4	Low	10 Å²	10	66.9 Å²	66.9	8%	0.083	33%	0.326	C	S	.	.			trans	-92.6	135.3	-163.8	0	0	0	0	0	113.6	E750 I751 L754 L825	A746-E750 WeakPolarHBondContact CA-OE2 3.38Å; A746-E750 HydrophobicContact CB-CB 3.75Å; A746-I751 HydrophobicContact CB-CB 3.98Å; A746-I751 HydrophobicContact CB-CD1 3.88Å; A746-L754 HydrophobicContact CB-CD1 3.95Å; A746-L825 WeakPolarHBondContact O-CD1 3.24Å
747	S	56.5	Low	66.2	Low	6 Å²	6	68.2 Å²	68.2	4%	0.042	33%	0.327	C	S	.	.			trans	-60.4	175.1	166.6	88.4	0	0	0	0	114	E750 I751 M907	S747-E750 WeakPolarHBondContact CB-OE1 3.38Å; S747-E750 WeakPolarHBondContact CB-OE2 3.32Å; S747-E750 PolarHBondContact N-OE2 2.72Å; S747-E750 CarbonylContact O-C 3.52Å; S747-E750 WeakPolarHBondContact O-CA 3.48Å; S747-E750 PolarHBondContact O-N 2.83Å; S747-E750 WeakPolarHBondContact OG-CB 3.48Å; S747-E750 WeakPolarHBondContact OG-CG 3.45Å; S747-E750 PolarHBondContact OG-N 3.22Å; S747-E750 PolarHBondContact OG-OE1 2.56Å; S747-E750 PolarHBondContact OG-OE2 2.67Å; S747-I751 WeakPolarHBondContact O-CB 3.27Å; S747-I751 WeakPolarHBondContact O-CG2 3.3Å; S747-I751 PolarHBondContact O-N 3.47Å; S747-M907 VanDerWaalsContact CB-SD 3.56Å
748	L	58.8	Low	66.4	Low	0 Å²	0	65.3 Å²	65.3	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-65.5	-54.8	-168.8	-176.1	55.4	0	0	0	109.9	I751 K752 E822 L825 E826 D829 M907	L748-I751 HydrophobicContact CD1-CG2 4.38Å; L748-I751 VanDerWaalsContact O-CG2 3.26Å; L748-I751 WeakPolarHBondContact O-CG2 3.38Å; L748-I751 PolarHBondContact O-N 3.11Å; L748-K752 HydrophobicContact CD1-CD 3.79Å; L748-K752 HydrophobicContact CD1-CG 3.83Å; L748-K752 HydrophobicContact CD2-CD 3.89Å; L748-K752 HydrophobicContact CG-CD 3.81Å; L748-K752 HydrophobicContact CG-CG 4.14Å; L748-K752 WeakPolarHBondContact O-CA 3.44Å; L748-K752 WeakPolarHBondContact O-CB 3.3Å; L748-K752 WeakPolarHBondContact O-CG 3.42Å; L748-K752 PolarHBondContact O-N 3.49Å; L748-E822 WeakPolarHBondContact CD1-O 3.48Å; L748-L825 VanDerWaalsContact CA-CD1 3.45Å; L748-L825 VanDerWaalsContact CA-CG 3.45Å; L748-L825 HydrophobicContact CB-CB 2.89Å; L748-L825 HydrophobicContact CB-CD1 4.28Å; L748-L825 HydrophobicContact CB-CD2 3.81Å; L748-L825 HydrophobicContact CB-CG 3.72Å; L748-L825 HydrophobicContact CD1-CB 2.94Å; L748-L825 HydrophobicContact CD1-CD1 4.36Å; L748-L825 HydrophobicContact CD1-CG 4.14Å; L748-L825 HydrophobicContact CD2-CB 4.01Å; L748-L825 WeakPolarHBondContact CD2-O 3.3Å; L748-L825 VanDerWaalsContact CG-C 3.47Å; L748-L825 HydrophobicContact CG-CB 3.23Å; L748-L825 HydrophobicContact CG-CG 4.42Å; L748-E826 VanDerWaalsContact CD2-CA 3.46Å; L748-E826 HydrophobicContact CD2-CB 4.41Å; L748-E826 VanDerWaalsContact CD2-N 3.29Å; L748-D829 HydrophobicContact CD2-CB 3.4Å; L748-D829 VanDerWaalsContact CD2-CB 3.4Å; L748-D829 WeakPolarHBondContact CD2-OD1 3.35Å; L748-D829 WeakPolarHBondContact CD2-OD2 3.33Å; L748-M907 HydrophobicContact CB-CE 3.85Å
749	S	52.8	Low	66.3	Low	46 Å²	46	70.1 Å²	70.1	32%	0.322	33%	0.334	S	S	.	.	H	α-helix	trans	-67.9	-31.4	173	49.6	0	0	0	0	108.2	I751 A753	S749-I751 PolarHBondContact O-N 3.38Å; S749-A753 CarbonylContact O-C 3.54Å; S749-A753 WeakPolarHBondContact O-CA 3.25Å; S749-A753 WeakPolarHBondContact O-CB 3.31Å; S749-A753 PolarHBondContact O-N 3.46Å
750	E	65.9	Low	65.9	Low	91 Å²	91	66.2 Å²	66.2	43%	0.425	32%	0.324	S	S	.	.	H	α-helix	trans	-67.3	-24.8	173.8	-77.6	153.1	-143.9	0	0	112.8	A746 S747 A753 L754	A746-E750 WeakPolarHBondContact CA-OE2 3.38Å; A746-E750 HydrophobicContact CB-CB 3.75Å; S747-E750 WeakPolarHBondContact CB-OE1 3.38Å; S747-E750 WeakPolarHBondContact CB-OE2 3.32Å; S747-E750 PolarHBondContact N-OE2 2.72Å; S747-E750 CarbonylContact O-C 3.52Å; S747-E750 WeakPolarHBondContact O-CA 3.48Å; S747-E750 PolarHBondContact O-N 2.83Å; S747-E750 WeakPolarHBondContact OG-CB 3.48Å; S747-E750 WeakPolarHBondContact OG-CG 3.45Å; S747-E750 PolarHBondContact OG-N 3.22Å; S747-E750 PolarHBondContact OG-OE1 2.56Å; S747-E750 PolarHBondContact OG-OE2 2.67Å; E750-A753 CarbonylContact O-C 3.44Å; E750-L754 VanDerWaalsContact O-CA 3.3Å; E750-L754 WeakPolarHBondContact O-CA 3.47Å; E750-L754 WeakPolarHBondContact O-CB 3.4Å; E750-L754 VanDerWaalsContact O-CD1 3.22Å; E750-L754 WeakPolarHBondContact O-CD1 3.39Å; E750-L754 WeakPolarHBondContact O-CG 3.34Å; E750-L754 PolarHBondContact O-N 3.43Å
751	I	67.1	Low	66.1	Low	0 Å²	0	61.1 Å²	61.1	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-95.7	-46.7	178	-164.7	89.7	0	0	0	111.2	Y743 A746 S747 L748 S749 A753 L754 L755 L818 T821 E822 L825	Y743-I751 WeakPolarHBondContact O-CD1 3.49Å; A746-I751 HydrophobicContact CB-CB 3.98Å; A746-I751 HydrophobicContact CB-CD1 3.88Å; S747-I751 WeakPolarHBondContact O-CB 3.27Å; S747-I751 WeakPolarHBondContact O-CG2 3.3Å; S747-I751 PolarHBondContact O-N 3.47Å; L748-I751 HydrophobicContact CD1-CG2 4.38Å; L748-I751 VanDerWaalsContact O-CG2 3.26Å; L748-I751 WeakPolarHBondContact O-CG2 3.38Å; L748-I751 PolarHBondContact O-N 3.11Å; S749-I751 PolarHBondContact O-N 3.38Å; I751-A753 PolarHBondContact O-N 3.28Å; I751-L754 PolarHBondContact O-N 2.73Å; I751-L755 VanDerWaalsContact O-CB 3.3Å; I751-L755 WeakPolarHBondContact O-CB 3.49Å; I751-L755 WeakPolarHBondContact O-CD1 3.35Å; I751-L755 PolarHBondContact O-N 2.86Å; I751-L818 HydrophobicContact CD1-CD2 4.21Å; I751-T821 HydrophobicContact CB-CG2 3.95Å; I751-T821 HydrophobicContact CD1-CG2 3.5Å; I751-T821 HydrophobicContact CG1-CG2 3.58Å; I751-T821 VanDerWaalsContact CG2-C 3.44Å; I751-T821 HydrophobicContact CG2-CG2 4.1Å; I751-T821 WeakPolarHBondContact CG2-O 3.34Å; I751-E822 HydrophobicContact CG2-CB 4.17Å; I751-L825 HydrophobicContact CG2-CD1 3.96Å
752	K	64.5	Low	66.5	Low	44 Å²	44	54.2 Å²	54.2	19%	0.191	28%	0.279	C	S	.	.	H	α-helix	trans	-59	-28.7	167.9	-77.2	-174	-179.6	-94.1	0	111.3	L748 L755 K756 E822 E826	L748-K752 HydrophobicContact CD1-CD 3.79Å; L748-K752 HydrophobicContact CD1-CG 3.83Å; L748-K752 HydrophobicContact CD2-CD 3.89Å; L748-K752 HydrophobicContact CG-CD 3.81Å; L748-K752 HydrophobicContact CG-CG 4.14Å; L748-K752 WeakPolarHBondContact O-CA 3.44Å; L748-K752 WeakPolarHBondContact O-CB 3.3Å; L748-K752 WeakPolarHBondContact O-CG 3.42Å; L748-K752 PolarHBondContact O-N 3.49Å; K752-L755 VanDerWaalsContact O-CB 3.26Å; K752-L755 WeakPolarHBondContact O-CB 3.44Å; K752-K756 WeakPolarHBondContact O-CA 3Å; K752-K756 WeakPolarHBondContact O-CB 3.22Å; K752-K756 PolarHBondContact O-N 3.46Å; K752-E822 HydrophobicContact CD-CG 3.99Å; K752-E822 WeakPolarHBondContact CE-OE1 3.43Å; K752-E822 HydrophobicContact CG-CB 3.59Å; K752-E822 HydrophobicContact CG-CG 3.33Å; K752-E822 WeakPolarHBondContact CG-OE1 3.48Å; K752-E822 IonicContact NZ-OE1 2.79Å; K752-E822 PolarHBondContact NZ-OE1 3.42Å; K752-E826 IonicContact NZ-OE1 3.94Å; K752-E826 PolarHBondContact NZ-OE1 2.9Å
753	A	56.9	Low	66.9	Low	29 Å²	29	55.3 Å²	55.3	24%	0.24	29%	0.291	C	S	.	.	H	α-helix	trans	-107.6	7.1	172	0	0	0	0	0	113.4	S749 E750 I751 K756 K757	S749-A753 CarbonylContact O-C 3.54Å; S749-A753 WeakPolarHBondContact O-CA 3.25Å; S749-A753 WeakPolarHBondContact O-CB 3.31Å; S749-A753 PolarHBondContact O-N 3.46Å; E750-A753 CarbonylContact O-C 3.44Å; I751-A753 PolarHBondContact O-N 3.28Å; A753-K756 HydrophobicContact CB-CB 4.34Å; A753-K757 VanDerWaalsContact O-CA 3.29Å; A753-K757 WeakPolarHBondContact O-CA 3.44Å; A753-K757 WeakPolarHBondContact O-CB 3.31Å; A753-K757 WeakPolarHBondContact O-CD 3.42Å; A753-K757 WeakPolarHBondContact O-CG 3.35Å; A753-K757 PolarHBondContact O-N 3.28Å
754	L	71.8	Confident	67.4	Low	18 Å²	18	56 Å²	56	9%	0.094	30%	0.298	C	S	.	.	H	α-helix	trans	-82.3	-42.2	150.3	-84.2	164.1	0	0	0	106.6	D742 A746 E750 I751 K757 H758 L818	D742-L754 WeakPolarHBondContact OD2-CD2 3.43Å; A746-L754 HydrophobicContact CB-CD1 3.95Å; E750-L754 VanDerWaalsContact O-CA 3.3Å; E750-L754 WeakPolarHBondContact O-CA 3.47Å; E750-L754 WeakPolarHBondContact O-CB 3.4Å; E750-L754 VanDerWaalsContact O-CD1 3.22Å; E750-L754 WeakPolarHBondContact O-CD1 3.39Å; E750-L754 WeakPolarHBondContact O-CG 3.34Å; E750-L754 PolarHBondContact O-N 3.43Å; I751-L754 PolarHBondContact O-N 2.73Å; L754-K757 CarbonylContact O-C 3.58Å; L754-K757 PolarHBondContact O-N 2.89Å; L754-H758 WeakPolarHBondContact O-CA 3.45Å; L754-H758 WeakPolarHBondContact O-CB 3.23Å; L754-H758 PolarHBondContact O-N 3.24Å; L754-L818 HydrophobicContact CB-CD1 4.32Å; L754-L818 HydrophobicContact CB-CD2 3.25Å; L754-L818 HydrophobicContact CB-CG 4.36Å; L754-L818 HydrophobicContact CD1-CD2 4.26Å; L754-L818 HydrophobicContact CG-CD2 4.31Å; L754-L818 WeakPolarHBondContact O-CD1 3.4Å
755	L	68.7	Low	68.5	Low	15 Å²	15	50 Å²	50	8%	0.079	27%	0.27	C	S	.	.	H	α-helix	trans	-50.2	-58	161.9	-103.9	120.3	0	0	0	111.2	I751 K752 H758 E759 L818 Q819 E822	I751-L755 VanDerWaalsContact O-CB 3.3Å; I751-L755 WeakPolarHBondContact O-CB 3.49Å; I751-L755 WeakPolarHBondContact O-CD1 3.35Å; I751-L755 PolarHBondContact O-N 2.86Å; K752-L755 VanDerWaalsContact O-CB 3.26Å; K752-L755 WeakPolarHBondContact O-CB 3.44Å; L755-H758 CarbonylContact O-C 3.59Å; L755-H758 WeakPolarHBondContact O-CA 3.37Å; L755-H758 WeakPolarHBondContact O-CB 3.37Å; L755-H758 PolarHBondContact O-N 3.18Å; L755-H758 VanDerWaalsContact O-N 3.07Å; L755-E759 VanDerWaalsContact O-CB 3.24Å; L755-E759 WeakPolarHBondContact O-CB 2.95Å; L755-E759 PolarHBondContact O-N 2.89Å; L755-L818 HydrophobicContact CB-CB 4.15Å; L755-L818 HydrophobicContact CD1-CB 3.91Å; L755-L818 WeakPolarHBondContact CD1-O 3.19Å; L755-L818 HydrophobicContact CG-CB 3.58Å; L755-Q819 HydrophobicContact CD2-CB 4.16Å; L755-Q819 HydrophobicContact CD2-CG 3.21Å; L755-Q819 HydrophobicContact CG-CG 4.01Å; L755-E822 HydrophobicContact CD1-CB 3.88Å
756	K	63.9	Low	69.5	Low	139 Å²	139	47.3 Å²	47.3	60%	0.604	26%	0.26	S	S	*	.	H	α-helix	trans	-80.3	-19.5	-175.4	-160.9	-178.9	-167.1	-177.1	0	111.4	K752 A753 H758 A760	K752-K756 WeakPolarHBondContact O-CA 3Å; K752-K756 WeakPolarHBondContact O-CB 3.22Å; K752-K756 PolarHBondContact O-N 3.46Å; A753-K756 HydrophobicContact CB-CB 4.34Å; K756-H758 VanDerWaalsContact C-N 3.29Å; K756-A760 VanDerWaalsContact O-CA 3.27Å; K756-A760 WeakPolarHBondContact O-CA 3.47Å; K756-A760 WeakPolarHBondContact O-CB 3.27Å; K756-A760 PolarHBondContact O-N 3.49Å
757	K	71.1	Confident	70.4	Confident	137 Å²	137	49.8 Å²	49.8	60%	0.596	28%	0.281	S	S	*	.	H	α-helix	trans	-74.3	-24.3	161.8	-83	167.4	-175.4	176	0	111.3	A753 L754 F761	A753-K757 VanDerWaalsContact O-CA 3.29Å; A753-K757 WeakPolarHBondContact O-CA 3.44Å; A753-K757 WeakPolarHBondContact O-CB 3.31Å; A753-K757 WeakPolarHBondContact O-CD 3.42Å; A753-K757 WeakPolarHBondContact O-CG 3.35Å; A753-K757 PolarHBondContact O-N 3.28Å; L754-K757 CarbonylContact O-C 3.58Å; L754-K757 PolarHBondContact O-N 2.89Å; K757-F761 WeakPolarHBondContact O-CA 3.37Å; K757-F761 WeakPolarHBondContact O-CB 3.47Å; K757-F761 PolarHBondContact O-N 3.45Å
758	H	78.4	Confident	71.6	Confident	4 Å²	4	50 Å²	50	2%	0.019	28%	0.281	C	S	.	.	H	α-helix	trans	-90	-35.2	-179.4	-169.3	61.3	0	0	0	111	L754 L755 K756 F761 E762 T811 R814 T815 L818	L754-H758 WeakPolarHBondContact O-CA 3.45Å; L754-H758 WeakPolarHBondContact O-CB 3.23Å; L754-H758 PolarHBondContact O-N 3.24Å; L755-H758 CarbonylContact O-C 3.59Å; L755-H758 WeakPolarHBondContact O-CA 3.37Å; L755-H758 WeakPolarHBondContact O-CB 3.37Å; L755-H758 PolarHBondContact O-N 3.18Å; L755-H758 VanDerWaalsContact O-N 3.07Å; K756-H758 VanDerWaalsContact C-N 3.29Å; H758-F761 CarbonylContact O-C 3.56Å; H758-F761 WeakPolarHBondContact O-CA 3.43Å; H758-F761 WeakPolarHBondContact O-CB 3.42Å; H758-F761 PolarHBondContact O-N 3.5Å; H758-E762 WeakPolarHBondContact O-CB 3.41Å; H758-E762 VanDerWaalsContact O-CG 3.3Å; H758-E762 WeakPolarHBondContact O-CG 3.33Å; H758-E762 PolarHBondContact O-N 3Å; H758-T811 VanDerWaalsContact CE1-CG2 3.48Å; H758-T811 WeakPolarHBondContact CE1-CG2 3.27Å; H758-T811 PolarHBondContact CE1-O 3.12Å; H758-T811 VanDerWaalsContact CE1-O 3.22Å; H758-T811 PolarHBondContact NE2-O 3.49Å; H758-R814 WeakPolarHBondContact CE1-CB 3.48Å; H758-R814 VanDerWaalsContact CE1-CG 3.42Å; H758-R814 WeakPolarHBondContact CE1-CG 3.41Å; H758-R814 VanDerWaalsContact NE2-CB 3.27Å; H758-R814 WeakPolarHBondContact NE2-CB 3.27Å; H758-T815 WeakPolarHBondContact CD2-CA 3.17Å; H758-T815 PolarHBondContact CD2-N 3.49Å; H758-T815 PolarHBondContact CD2-OG1 2.87Å; H758-T815 PolarHBondContact NE2-N 3.02Å; H758-T815 PolarHBondContact NE2-OG1 2.73Å; H758-L818 HydrophobicContact CB-CD1 3.54Å
759	E	76.6	Confident	72.9	Confident	111 Å²	111	53.4 Å²	53.4	52%	0.519	30%	0.297	S	S	.	.	H	α-helix	trans	-72.3	-35	165.8	-171	-175.4	-167.2	0	0	110.3	L755 E762 S763	L755-E759 VanDerWaalsContact O-CB 3.24Å; L755-E759 WeakPolarHBondContact O-CB 2.95Å; L755-E759 PolarHBondContact O-N 2.89Å; E759-E762 CarbonylContact O-C 3.43Å; E759-E762 PolarHBondContact O-N 3.09Å; E759-S763 WeakPolarHBondContact O-CA 3.29Å; E759-S763 WeakPolarHBondContact O-CB 3.37Å; E759-S763 PolarHBondContact O-N 3.17Å
760	A	67.6	Low	74.3	Confident	50 Å²	50	55.4 Å²	55.4	41%	0.413	30%	0.304	S	S	.	.	H	α-helix	trans	-76.5	-21	165.3	0	0	0	0	0	112	K756 D764	K756-A760 VanDerWaalsContact O-CA 3.27Å; K756-A760 WeakPolarHBondContact O-CA 3.47Å; K756-A760 WeakPolarHBondContact O-CB 3.27Å; K756-A760 PolarHBondContact O-N 3.49Å; A760-D764 WeakPolarHBondContact O-CA 3.43Å; A760-D764 WeakPolarHBondContact O-CB 3.48Å; A760-D764 PolarHBondContact O-N 2.98Å
761	F	82.8	Confident	75.2	Confident	16 Å²	16	54.6 Å²	54.6	7%	0.07	30%	0.297	C	S	.	.	H	α-helix	trans	-76.2	-35.5	167.9	176.6	-91.6	0	0	0	109.3	W730 K734 L738 K757 H758 L765 T811	W730-F761 HydrophobicContact CH2-CE2 4.24Å; W730-F761 HydrophobicContact CH2-CZ 4.48Å; W730-F761 HydrophobicContact CZ2-CE2 4.12Å; K734-F761 HydrophobicContact CB-CE2 4.28Å; K734-F761 HydrophobicContact CB-CZ 4.26Å; K734-F761 HydrophobicContact CD-CE2 3.91Å; K734-F761 HydrophobicContact CG-CE2 4.26Å; L738-F761 HydrophobicContact CD1-CE1 3.81Å; L738-F761 HydrophobicContact CD1-CZ 4.06Å; L738-F761 HydrophobicContact CD2-CD1 3.89Å; L738-F761 HydrophobicContact CD2-CE1 3.58Å; L738-F761 HydrophobicContact CD2-CZ 4.27Å; L738-F761 HydrophobicContact CG-CE1 4.01Å; L738-F761 HydrophobicContact CG-CZ 4.27Å; K757-F761 WeakPolarHBondContact O-CA 3.37Å; K757-F761 WeakPolarHBondContact O-CB 3.47Å; K757-F761 PolarHBondContact O-N 3.45Å; H758-F761 CarbonylContact O-C 3.56Å; H758-F761 WeakPolarHBondContact O-CA 3.43Å; H758-F761 WeakPolarHBondContact O-CB 3.42Å; H758-F761 PolarHBondContact O-N 3.5Å; F761-L765 WeakPolarHBondContact O-CA 3.32Å; F761-L765 WeakPolarHBondContact O-CB 3.38Å; F761-L765 PolarHBondContact O-N 3.05Å; F761-T811 HydrophobicContact CD1-CG2 3.58Å; F761-T811 HydrophobicContact CE1-CG2 3.87Å; F761-T811 VanDerWaalsContact CE1-OG1 3.31Å; F761-T811 WeakPolarHBondContact CE1-OG1 3.31Å
762	E	79.6	Confident	76.1	Confident	58 Å²	58	55 Å²	55	27%	0.271	30%	0.299	S	S	.	.	H	α-helix	trans	-67.2	-37.7	169.9	-74.7	174.2	158.5	0	0	111.4	H758 E759 A766 T811 T815	H758-E762 WeakPolarHBondContact O-CB 3.41Å; H758-E762 VanDerWaalsContact O-CG 3.3Å; H758-E762 WeakPolarHBondContact O-CG 3.33Å; H758-E762 PolarHBondContact O-N 3Å; E759-E762 CarbonylContact O-C 3.43Å; E759-E762 PolarHBondContact O-N 3.09Å; E762-A766 WeakPolarHBondContact O-CB 3.19Å; E762-A766 PolarHBondContact O-N 3.38Å; E762-T811 HydrophobicContact CB-CG2 4.42Å; E762-T811 HydrophobicContact CG-CG2 3.21Å; E762-T815 PolarHBondContact OE1-OG1 3.12Å
763	S	76.4	Confident	77.2	Confident	78 Å²	78	57.7 Å²	57.7	55%	0.545	31%	0.313	S	S	.	.	H	α-helix	trans	-77.2	-34.9	175.8	-169.2	0	0	0	0	112	E759 A766 A767	E759-S763 WeakPolarHBondContact O-CA 3.29Å; E759-S763 WeakPolarHBondContact O-CB 3.37Å; E759-S763 PolarHBondContact O-N 3.17Å; S763-A766 CarbonylContact O-C 3.47Å; S763-A766 PolarHBondContact O-N 3.22Å; S763-A767 WeakPolarHBondContact O-CB 3.38Å; S763-A767 PolarHBondContact O-N 3.01Å
764	D	77.6	Confident	78.7	Confident	57 Å²	57	59.5 Å²	59.5	31%	0.305	32%	0.316	S	S	.	.	H	α-helix	trans	-71.1	-39.9	171.7	-173.7	52.8	0	0	0	110.1	W730 A760 A767 H768	W730-D764 WeakPolarHBondContact CZ2-OD2 3.45Å; W730-D764 PolarHBondContact NE1-OD2 3.22Å; A760-D764 WeakPolarHBondContact O-CA 3.43Å; A760-D764 WeakPolarHBondContact O-CB 3.48Å; A760-D764 PolarHBondContact O-N 2.98Å; D764-A767 CarbonylContact O-C 3.48Å; D764-A767 PolarHBondContact O-N 3.29Å; D764-H768 WeakPolarHBondContact O-CB 3.38Å; D764-H768 PolarHBondContact O-CD2 3Å; D764-H768 PolarHBondContact O-N 2.99Å; D764-H768 IonicContact OD1-CD2 3.45Å; D764-H768 PolarHBondContact OD1-CD2 3.29Å; D764-H768 IonicContact OD1-NE2 2.78Å; D764-H768 PolarHBondContact OD1-NE2 3.46Å; D764-H768 IonicContact OD2-NE2 2.81Å
765	L	82.2	Confident	79.5	Confident	18 Å²	18	58.7 Å²	58.7	9%	0.094	31%	0.312	C	S	.	.	H	α-helix	trans	-59.7	-50.8	167.3	-171.7	78.7	0	0	0	108.6	W730 F761 A767 H768 Q769 W804 L807	W730-L765 HydrophobicContact CH2-CD1 3.73Å; W730-L765 HydrophobicContact CZ3-CD1 4.3Å; F761-L765 WeakPolarHBondContact O-CA 3.32Å; F761-L765 WeakPolarHBondContact O-CB 3.38Å; F761-L765 PolarHBondContact O-N 3.05Å; L765-A767 VanDerWaalsContact C-N 3.28Å; L765-A767 PolarHBondContact O-N 2.93Å; L765-H768 CarbonylContact O-C 3.59Å; L765-H768 PolarHBondContact O-N 3.37Å; L765-Q769 PolarHBondContact O-N 3.25Å; L765-W804 HydrophobicContact CB-CH2 4.33Å; L765-W804 HydrophobicContact CD1-CE3 4.17Å; L765-W804 HydrophobicContact CD1-CH2 3.47Å; L765-W804 VanDerWaalsContact CD1-CH2 3.47Å; L765-W804 HydrophobicContact CD1-CZ2 3.88Å; L765-W804 HydrophobicContact CD1-CZ3 3.66Å; L765-W804 HydrophobicContact CG-CH2 3.85Å; L765-W804 HydrophobicContact CG-CZ2 3.93Å; L765-W804 WeakPolarHBondContact O-CH2 3.3Å; L765-W804 WeakPolarHBondContact O-CZ2 3.41Å; L765-L807 HydrophobicContact CD1-CB 4.21Å
766	A	81.6	Confident	80.5	Confident	67 Å²	67	59.7 Å²	59.7	55%	0.554	32%	0.322	S	S	*	.	H	α-helix	trans	-63.1	-28.3	175.5	0	0	0	0	0	114	E762 S763 Q769	E762-A766 WeakPolarHBondContact O-CB 3.19Å; E762-A766 PolarHBondContact O-N 3.38Å; S763-A766 CarbonylContact O-C 3.47Å; S763-A766 PolarHBondContact O-N 3.22Å; A766-Q769 WeakPolarHBondContact O-CB 3.49Å
767	A	77.6	Confident	81.6	Confident	62 Å²	62	55.5 Å²	55.5	51%	0.512	31%	0.314	S	S	.	.	H	α-helix	trans	-82.2	-29	176.3	0	0	0	0	0	112.3	S763 D764 L765 Q769	S763-A767 WeakPolarHBondContact O-CB 3.38Å; S763-A767 PolarHBondContact O-N 3.01Å; D764-A767 CarbonylContact O-C 3.48Å; D764-A767 PolarHBondContact O-N 3.29Å; L765-A767 VanDerWaalsContact C-N 3.28Å; L765-A767 PolarHBondContact O-N 2.93Å; A767-Q769 VanDerWaalsContact C-N 3.26Å
768	H	82.4	Confident	82.5	Confident	9 Å²	9	49.6 Å²	49.6	4%	0.042	29%	0.289	C	S	.	.	H	α-helix	trans	-77.6	-12.9	171.4	-84.3	-124.4	0	0	0	111.9	W730 D764 L765 R771 V772 W804	W730-H768 AromaticContact CD1-CE1 3.27Å; W730-H768 AromaticContact CD1-NE2 3.9Å; W730-H768 AromaticContact CD2-CE1 3.6Å; W730-H768 AromaticContact CD2-ND1 3.55Å; W730-H768 AromaticContact CE2-CE1 3.57Å; W730-H768 AromaticContact CE2-ND1 3.66Å; W730-H768 AromaticContact CE3-ND1 3.95Å; W730-H768 AromaticContact CG-CE1 3.44Å; W730-H768 VanDerWaalsContact CG-CE1 3.44Å; W730-H768 AromaticContact CG-ND1 3.81Å; W730-H768 AromaticContact NE1-CE1 3.3Å; W730-H768 PolarHBondContact NE1-CE1 3.42Å; W730-H768 VanDerWaalsContact NE1-CE1 3.3Å; W730-H768 AromaticContact NE1-ND1 3.88Å; W730-H768 AromaticContact NE1-NE2 3.6Å; D764-H768 WeakPolarHBondContact O-CB 3.38Å; D764-H768 PolarHBondContact O-CD2 3Å; D764-H768 PolarHBondContact O-N 2.99Å; D764-H768 IonicContact OD1-CD2 3.45Å; D764-H768 PolarHBondContact OD1-CD2 3.29Å; D764-H768 IonicContact OD1-NE2 2.78Å; D764-H768 PolarHBondContact OD1-NE2 3.46Å; D764-H768 IonicContact OD2-NE2 2.81Å; L765-H768 CarbonylContact O-C 3.59Å; L765-H768 PolarHBondContact O-N 3.37Å; H768-R771 PolarHBondContact CE1-NH1 2.96Å; H768-R771 PolarHBondContact NE2-NH2 3.31Å; H768-R771 WeakPolarHBondContact O-CA 3.4Å; H768-R771 WeakPolarHBondContact O-CB 3.36Å; H768-R771 PolarHBondContact O-N 2.99Å; H768-R771 VanDerWaalsContact O-N 3.07Å; H768-V772 WeakPolarHBondContact O-CG2 3.48Å; H768-V772 PolarHBondContact O-N 3.2Å; H768-W804 HydrophobicContact CB-CH2 3.38Å; H768-W804 HydrophobicContact CB-CZ2 4.43Å; H768-W804 HydrophobicContact CB-CZ3 3.78Å
769	Q	84.8	Confident	83	Confident	73 Å²	73	49.5 Å²	49.5	34%	0.341	29%	0.289	S	S	.	.	H	α-helix	trans	-53.4	-52.4	167.2	-178.5	65.7	29.2	0	0	110.8	L765 A766 A767 R771 V772 E773 W804	L765-Q769 PolarHBondContact O-N 3.25Å; A766-Q769 WeakPolarHBondContact O-CB 3.49Å; A767-Q769 VanDerWaalsContact C-N 3.26Å; Q769-R771 PolarHBondContact O-N 3Å; Q769-V772 PolarHBondContact O-N 2.72Å; Q769-E773 WeakPolarHBondContact CG-OE1 3.4Å; Q769-E773 PolarHBondContact NE2-OE1 2.63Å; Q769-E773 WeakPolarHBondContact O-CG 3.46Å; Q769-E773 PolarHBondContact O-N 3.03Å; Q769-W804 HydrophobicContact CB-CZ2 4.17Å
770	D	81.9	Confident	83.5	Confident	87 Å²	87	49.7 Å²	49.7	47%	0.465	29%	0.29	S	S	.	.	H	α-helix	trans	-60.8	-31.4	177.2	179.2	51.9	0	0	0	111.2	E773 Q774	D770-E773 PolarHBondContact O-N 3.48Å; D770-Q774 VanDerWaalsContact O-CB 3.27Å; D770-Q774 WeakPolarHBondContact O-CB 3.24Å; D770-Q774 WeakPolarHBondContact O-CG 3.26Å; D770-Q774 PolarHBondContact O-N 3.39Å; D770-Q774 PolarHBondContact OD2-NE2 3.12Å
771	R	84.8	Confident	84.6	Confident	74 Å²	74	49.8 Å²	49.8	28%	0.279	28%	0.281	S	S	.	.	H	α-helix	trans	-69.3	-41	174.6	-169.5	178.6	-56.5	167	14.9	112.4	H768 Q769 Q774 I775	H768-R771 PolarHBondContact CE1-NH1 2.96Å; H768-R771 PolarHBondContact NE2-NH2 3.31Å; H768-R771 WeakPolarHBondContact O-CA 3.4Å; H768-R771 WeakPolarHBondContact O-CB 3.36Å; H768-R771 PolarHBondContact O-N 2.99Å; H768-R771 VanDerWaalsContact O-N 3.07Å; Q769-R771 PolarHBondContact O-N 3Å; R771-Q774 PolarHBondContact O-N 3.42Å; R771-I775 HydrophobicContact CG-CD1 4.17Å; R771-I775 WeakPolarHBondContact O-CB 3.36Å; R771-I775 WeakPolarHBondContact O-CD1 3.47Å; R771-I775 WeakPolarHBondContact O-CG1 3.42Å; R771-I775 PolarHBondContact O-N 2.81Å
772	V	87.8	Confident	84.9	Confident	9 Å²	9	49 Å²	49	6%	0.055	28%	0.278	C	S	.	.	H	α-helix	trans	-66.1	-42.2	175.1	176.7	0	0	0	0	109.9	H727 H768 Q769 Q774 I775 A776 I800 W804	H727-V772 WeakPolarHBondContact CE1-CG2 3.45Å; H768-V772 WeakPolarHBondContact O-CG2 3.48Å; H768-V772 PolarHBondContact O-N 3.2Å; Q769-V772 PolarHBondContact O-N 2.72Å; V772-Q774 PolarHBondContact O-N 2.94Å; V772-I775 PolarHBondContact O-N 3.37Å; V772-A776 WeakPolarHBondContact O-CB 3.23Å; V772-A776 PolarHBondContact O-N 3.49Å; V772-I800 HydrophobicContact CG1-CG2 4.43Å; V772-I800 HydrophobicContact CG2-CG2 4.43Å; V772-W804 HydrophobicContact CG2-CD2 3.91Å; V772-W804 HydrophobicContact CG2-CE3 3.89Å; V772-W804 HydrophobicContact CG2-CG 4.28Å; V772-W804 HydrophobicContact CG2-CZ3 4.28Å
773	E	87.1	Confident	85.3	Confident	101 Å²	101	48.7 Å²	48.7	47%	0.472	28%	0.278	S	S	.	.	H	α-helix	trans	-61.7	-41.9	173.8	-70.8	174.6	-169.7	0	0	111.7	Q769 D770 A776 A777	Q769-E773 WeakPolarHBondContact CG-OE1 3.4Å; Q769-E773 PolarHBondContact NE2-OE1 2.63Å; Q769-E773 WeakPolarHBondContact O-CG 3.46Å; Q769-E773 PolarHBondContact O-N 3.03Å; D770-E773 PolarHBondContact O-N 3.48Å; E773-A776 PolarHBondContact O-N 2.88Å; E773-A777 WeakPolarHBondContact O-CB 3.39Å; E773-A777 PolarHBondContact O-N 3.45Å
774	Q	87.2	Confident	85.8	Confident	66 Å²	66	51.1 Å²	51.1	31%	0.308	28%	0.281	S	S	.	.	H	α-helix	trans	-65.6	-38.9	173.1	-76.9	174.5	28.8	0	0	112.7	D770 R771 V772 A776 A777 I778	D770-Q774 VanDerWaalsContact O-CB 3.27Å; D770-Q774 WeakPolarHBondContact O-CB 3.24Å; D770-Q774 WeakPolarHBondContact O-CG 3.26Å; D770-Q774 PolarHBondContact O-N 3.39Å; D770-Q774 PolarHBondContact OD2-NE2 3.12Å; R771-Q774 PolarHBondContact O-N 3.42Å; V772-Q774 PolarHBondContact O-N 2.94Å; Q774-A776 VanDerWaalsContact C-N 3.33Å; Q774-A777 PolarHBondContact O-N 3.27Å; Q774-I778 WeakPolarHBondContact O-CB 3.43Å; Q774-I778 WeakPolarHBondContact O-CD1 3.29Å; Q774-I778 WeakPolarHBondContact O-CG1 3.19Å; Q774-I778 PolarHBondContact O-N 2.88Å
775	I	89.9	Confident	86.3	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-63.7	-43.5	175.8	-72.6	163.7	0	0	0	109.6	F720 K723 H727 R771 V772 A779	F720-I775 HydrophobicContact CD2-CG2 4.16Å; F720-I775 HydrophobicContact CE2-CG2 3.68Å; K723-I775 HydrophobicContact CB-CD1 4.19Å; K723-I775 HydrophobicContact CB-CG1 3.81Å; H727-I775 HydrophobicContact CB-CD1 3.68Å; R771-I775 HydrophobicContact CG-CD1 4.17Å; R771-I775 WeakPolarHBondContact O-CB 3.36Å; R771-I775 WeakPolarHBondContact O-CD1 3.47Å; R771-I775 WeakPolarHBondContact O-CG1 3.42Å; R771-I775 PolarHBondContact O-N 2.81Å; V772-I775 PolarHBondContact O-N 3.37Å; I775-A779 WeakPolarHBondContact O-CB 3.32Å; I775-A779 PolarHBondContact O-N 3.38Å
776	A	88.5	Confident	86.4	Confident	36 Å²	36	56.2 Å²	56.2	30%	0.298	31%	0.308	S	S	.	.	H	α-helix	trans	-65.7	-42.2	174.9	0	0	0	0	0	112.4	V772 E773 Q774 A779 Q780	V772-A776 WeakPolarHBondContact O-CB 3.23Å; V772-A776 PolarHBondContact O-N 3.49Å; E773-A776 PolarHBondContact O-N 2.88Å; Q774-A776 VanDerWaalsContact C-N 3.33Å; A776-A779 PolarHBondContact O-N 2.9Å; A776-Q780 WeakPolarHBondContact O-CB 3.27Å; A776-Q780 PolarHBondContact O-N 3.07Å
777	A	88.4	Confident	86.7	Confident	52 Å²	52	54.1 Å²	54.1	43%	0.43	29%	0.286	S	S	.	.	H	α-helix	trans	-66.8	-41.4	178	0	0	0	0	0	112.3	E773 Q774 Q780 E781	E773-A777 WeakPolarHBondContact O-CB 3.39Å; E773-A777 PolarHBondContact O-N 3.45Å; Q774-A777 PolarHBondContact O-N 3.27Å; A777-Q780 PolarHBondContact O-N 3.45Å; A777-E781 WeakPolarHBondContact O-CB 3.18Å; A777-E781 PolarHBondContact O-N 3.33Å
778	I	89.3	Confident	87	Confident	13 Å²	13	59 Å²	59	7%	0.067	29%	0.292	C	S	.	.	H	α-helix	trans	-66.1	-40.5	174.6	-67.7	164.2	0	0	0	110.4	L716 K719 F720 K723 Q774 Q780 E781 L782	L716-I778 HydrophobicContact CB-CG2 4.49Å; L716-I778 HydrophobicContact CD2-CG2 4.41Å; K719-I778 HydrophobicContact CD-CD1 4.14Å; K719-I778 HydrophobicContact CG-CD1 4.2Å; F720-I778 HydrophobicContact CB-CG2 3.96Å; K723-I778 HydrophobicContact CD-CD1 3.76Å; Q774-I778 WeakPolarHBondContact O-CB 3.43Å; Q774-I778 WeakPolarHBondContact O-CD1 3.29Å; Q774-I778 WeakPolarHBondContact O-CG1 3.19Å; Q774-I778 PolarHBondContact O-N 2.88Å; I778-Q780 VanDerWaalsContact C-N 3.31Å; I778-Q780 PolarHBondContact O-N 2.95Å; I778-E781 PolarHBondContact O-N 3.43Å; I778-L782 HydrophobicContact CG2-CD1 4.07Å; I778-L782 WeakPolarHBondContact O-CB 3.49Å; I778-L782 WeakPolarHBondContact O-CG 3.06Å; I778-L782 PolarHBondContact O-N 3.31Å
779	A	88.7	Confident	87.2	Confident	2 Å²	2	61.5 Å²	61.5	2%	0.017	31%	0.306	C	S	.	.	H	α-helix	trans	-62.3	-39.9	174.3	0	0	0	0	0	111.7	F720 I775 A776 L782 N783 V793 C797	F720-A779 HydrophobicContact CD2-CB 4.2Å; F720-A779 HydrophobicContact CE2-CB 3.86Å; I775-A779 WeakPolarHBondContact O-CB 3.32Å; I775-A779 PolarHBondContact O-N 3.38Å; A776-A779 PolarHBondContact O-N 2.9Å; A779-L782 PolarHBondContact O-N 3.26Å; A779-N783 VanDerWaalsContact O-CG 3.29Å; A779-N783 PolarHBondContact O-N 2.92Å; A779-N783 VanDerWaalsContact O-N 3.09Å; A779-N783 PolarHBondContact O-ND2 3.32Å; A779-V793 HydrophobicContact CB-CG1 3.72Å; A779-C797 HydrophobicContact CB-CB 4.33Å
780	Q	88.3	Confident	87.4	Confident	115 Å²	115	58.6 Å²	58.6	54%	0.537	29%	0.294	S	S	.	.	H	α-helix	trans	-65.2	-45.9	174.2	-173.4	-178.7	-24	0	0	111.8	A776 A777 I778 L782 N783 E784	A776-Q780 WeakPolarHBondContact O-CB 3.27Å; A776-Q780 PolarHBondContact O-N 3.07Å; A777-Q780 PolarHBondContact O-N 3.45Å; I778-Q780 VanDerWaalsContact C-N 3.31Å; I778-Q780 PolarHBondContact O-N 2.95Å; Q780-L782 VanDerWaalsContact C-N 3.31Å; Q780-L782 PolarHBondContact O-N 2.99Å; Q780-N783 WeakPolarHBondContact O-CA 3.38Å; Q780-N783 WeakPolarHBondContact O-CB 3.47Å; Q780-N783 PolarHBondContact O-N 3.4Å; Q780-E784 PolarHBondContact NE2-OE1 3.49Å; Q780-E784 WeakPolarHBondContact O-CG 3.35Å; Q780-E784 PolarHBondContact O-N 3.39Å
781	E	88.8	Confident	87.8	Confident	51 Å²	51	59 Å²	59	24%	0.238	30%	0.301	C	S	.	.	H	α-helix	trans	-61.9	-38	176.7	-171.7	-177.3	171.9	0	0	111.9	R712 L716 A777 I778 N783 E784 L785	R712-E781 IonicContact CZ-OE1 3.17Å; R712-E781 VanDerWaalsContact CZ-OE1 3.26Å; R712-E781 IonicContact NE-OE1 2.73Å; R712-E781 PolarHBondContact NE-OE1 3.21Å; R712-E781 VanDerWaalsContact NE-OE1 3.16Å; R712-E781 IonicContact NH2-OE1 3.85Å; R712-E781 PolarHBondContact NH2-OE1 2.83Å; L716-E781 HydrophobicContact CD1-CG 4.01Å; L716-E781 WeakPolarHBondContact CD1-OE1 3.14Å; A777-E781 WeakPolarHBondContact O-CB 3.18Å; A777-E781 PolarHBondContact O-N 3.33Å; I778-E781 PolarHBondContact O-N 3.43Å; E781-N783 VanDerWaalsContact C-N 3.32Å; E781-N783 PolarHBondContact O-N 3.12Å; E781-E784 PolarHBondContact O-N 3.38Å; E781-L785 HydrophobicContact CG-CD1 4.29Å; E781-L785 WeakPolarHBondContact O-CG 3.42Å; E781-L785 PolarHBondContact O-N 3.24Å
782	L	89.7	Confident	88	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-63.3	-36.2	172.3	-78.8	166.2	0	0	0	112.3	L713 L716 A717 F720 I778 A779 Q780 D786 Y787 V793	L713-L782 HydrophobicContact CD2-CD2 3.82Å; L716-L782 HydrophobicContact CB-CD2 3.77Å; L716-L782 HydrophobicContact CB-CG 4.12Å; A717-L782 HydrophobicContact CB-CD2 4.28Å; F720-L782 HydrophobicContact CB-CD1 3.98Å; F720-L782 HydrophobicContact CG-CD1 4.39Å; I778-L782 HydrophobicContact CG2-CD1 4.07Å; I778-L782 WeakPolarHBondContact O-CB 3.49Å; I778-L782 WeakPolarHBondContact O-CG 3.06Å; I778-L782 PolarHBondContact O-N 3.31Å; A779-L782 PolarHBondContact O-N 3.26Å; Q780-L782 VanDerWaalsContact C-N 3.31Å; Q780-L782 PolarHBondContact O-N 2.99Å; L782-D786 PolarHBondContact O-N 3.13Å; L782-Y787 HydrophobicContact CD2-CD1 4.36Å; L782-Y787 HydrophobicContact CD2-CD2 4.36Å; L782-Y787 HydrophobicContact CD2-CG 4.05Å; L782-Y787 VanDerWaalsContact O-CB 3.27Å; L782-Y787 WeakPolarHBondContact O-CB 3.12Å; L782-Y787 PolarHBondContact O-N 3.29Å; L782-Y787 VanDerWaalsContact O-N 3.08Å; L782-V793 HydrophobicContact CD1-CG1 4.26Å
783	N	87.7	Confident	88.1	Confident	51 Å²	51	58.7 Å²	58.7	27%	0.273	31%	0.31	S	S	.	.	H	α-helix	trans	-69.7	-40.8	173	-66.7	-41.8	0	0	0	112.2	A779 Q780 E781 L785 D786 S790 N794	A779-N783 VanDerWaalsContact O-CG 3.29Å; A779-N783 PolarHBondContact O-N 2.92Å; A779-N783 VanDerWaalsContact O-N 3.09Å; A779-N783 PolarHBondContact O-ND2 3.32Å; Q780-N783 WeakPolarHBondContact O-CA 3.38Å; Q780-N783 WeakPolarHBondContact O-CB 3.47Å; Q780-N783 PolarHBondContact O-N 3.4Å; E781-N783 VanDerWaalsContact C-N 3.32Å; E781-N783 PolarHBondContact O-N 3.12Å; N783-L785 PolarHBondContact O-N 3.07Å; N783-D786 PolarHBondContact O-N 3.48Å; N783-D786 VanDerWaalsContact O-N 3.11Å; N783-S790 WeakPolarHBondContact OD1-CB 3.41Å; N783-S790 PolarHBondContact OD1-OG 3.23Å; N783-N794 PolarHBondContact ND2-ND2 2.98Å; N783-N794 VanDerWaalsContact ND2-ND2 3.17Å; N783-N794 PolarHBondContact ND2-OD1 3.41Å; N783-N794 PolarHBondContact OD1-ND2 2.91Å
784	E	88.2	Confident	88.2	Confident	130 Å²	130	56.8 Å²	56.8	61%	0.607	30%	0.303	S	S	*	.	H	α-helix	trans	-64.8	-25.3	178.1	-71.6	173.9	-169	0	0	112.5	Q780 E781	Q780-E784 PolarHBondContact NE2-OE1 3.49Å; Q780-E784 WeakPolarHBondContact O-CG 3.35Å; Q780-E784 PolarHBondContact O-N 3.39Å; E781-E784 PolarHBondContact O-N 3.38Å
785	L	87.7	Confident	88.4	Confident	41 Å²	41	56 Å²	56	22%	0.215	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	12.5	175.5	-65.7	172.9	0	0	0	113.5	R709 L713 L716 E781 N783 Y787	R709-L785 HydrophobicContact CG-CD2 4.47Å; R709-L785 PolarHBondContact NH1-O 3.01Å; L713-L785 HydrophobicContact CD2-CB 3.54Å; L713-L785 HydrophobicContact CD2-CD1 4.07Å; L713-L785 HydrophobicContact CD2-CG 4.47Å; L713-L785 HydrophobicContact CG-CB 4.25Å; L716-L785 HydrophobicContact CD1-CD1 3.94Å; E781-L785 HydrophobicContact CG-CD1 4.29Å; E781-L785 WeakPolarHBondContact O-CG 3.42Å; E781-L785 PolarHBondContact O-N 3.24Å; N783-L785 PolarHBondContact O-N 3.07Å; L785-Y787 PolarHBondContact O-N 3.34Å
786	D	85	Confident	88.5	Confident	140 Å²	140	58.6 Å²	58.6	75%	0.749	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	47.5	178.4	-66.2	-46.8	0	0	0	113.9	L782 N783	L782-D786 PolarHBondContact O-N 3.13Å; N783-D786 PolarHBondContact O-N 3.48Å; N783-D786 VanDerWaalsContact O-N 3.11Å
787	Y	87.4	Confident	88.6	Confident	23 Å²	23	57.4 Å²	57.4	9%	0.09	31%	0.307	C	S	.	.			trans	-64.7	134.3	177	-176.1	-117	0	0	0	112.3	L713 A717 L782 L785 D789 S790 V793	L713-Y787 HydrophobicContact CB-CD2 4.41Å; L713-Y787 HydrophobicContact CD2-CD2 4.05Å; L713-Y787 HydrophobicContact CD2-CG 4.39Å; A717-Y787 HydrophobicContact CB-CE1 4.15Å; A717-Y787 HydrophobicContact CB-CE2 3.98Å; A717-Y787 WeakPolarHBondContact CB-OH 3.49Å; L782-Y787 HydrophobicContact CD2-CD1 4.36Å; L782-Y787 HydrophobicContact CD2-CD2 4.36Å; L782-Y787 HydrophobicContact CD2-CG 4.05Å; L782-Y787 VanDerWaalsContact O-CB 3.27Å; L782-Y787 WeakPolarHBondContact O-CB 3.12Å; L782-Y787 PolarHBondContact O-N 3.29Å; L782-Y787 VanDerWaalsContact O-N 3.08Å; L785-Y787 PolarHBondContact O-N 3.34Å; Y787-D789 VanDerWaalsContact C-N 3.28Å; Y787-D789 HydrophobicContact CD1-CB 4.25Å; Y787-D789 HydrophobicContact CE1-CB 3.71Å; Y787-D789 PolarHBondContact O-N 2.76Å; Y787-S790 VanDerWaalsContact O-CB 3.27Å; Y787-S790 WeakPolarHBondContact O-CB 3.22Å; Y787-S790 PolarHBondContact O-N 3.14Å; Y787-S790 VanDerWaalsContact O-N 3.15Å; Y787-S790 PolarHBondContact O-OG 3.34Å; Y787-V793 HydrophobicContact CE1-CG2 4.38Å
788	Y	83.3	Confident	88.7	Confident	164 Å²	164	60.2 Å²	60.2	64%	0.643	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-28.5	-171.9	69.2	-93.1	0	0	0	114.6
789	D	87.4	Confident	88.7	Confident	63 Å²	63	66.5 Å²	66.5	34%	0.337	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	22	179.8	-167.1	37.7	0	0	0	113.1	Y787 P791 S792 V793	Y787-D789 VanDerWaalsContact C-N 3.28Å; Y787-D789 HydrophobicContact CD1-CB 4.25Å; Y787-D789 HydrophobicContact CE1-CB 3.71Å; Y787-D789 PolarHBondContact O-N 2.76Å; D789-P791 VanDerWaalsContact C-N 3.3Å; D789-S792 PolarHBondContact O-N 3Å; D789-S792 VanDerWaalsContact O-N 3.13Å; D789-S792 WeakPolarHBondContact OD1-CB 3.12Å; D789-S792 PolarHBondContact OD1-OG 3.15Å; D789-S792 WeakPolarHBondContact OD2-CB 3.41Å; D789-V793 PolarHBondContact O-N 3.35Å
790	S	89.3	Confident	88.7	Confident	12 Å²	12	66.5 Å²	66.5	8%	0.084	33%	0.334	C	S	.	.	H	α-helix	trans	-47.2	-40.4	172.3	-89.9	0	0	0	0	115.1	N783 Y787 S792 V793 N794	N783-S790 WeakPolarHBondContact OD1-CB 3.41Å; N783-S790 PolarHBondContact OD1-OG 3.23Å; Y787-S790 VanDerWaalsContact O-CB 3.27Å; Y787-S790 WeakPolarHBondContact O-CB 3.22Å; Y787-S790 PolarHBondContact O-N 3.14Å; Y787-S790 VanDerWaalsContact O-N 3.15Å; Y787-S790 PolarHBondContact O-OG 3.34Å; S790-S792 VanDerWaalsContact C-N 3.32Å; S790-S792 PolarHBondContact O-N 2.76Å; S790-V793 PolarHBondContact O-N 3.05Å; S790-N794 WeakPolarHBondContact O-CB 3.47Å; S790-N794 VanDerWaalsContact O-CG 3.23Å; S790-N794 PolarHBondContact O-N 2.84Å; S790-N794 PolarHBondContact O-ND2 2.92Å; S790-N794 VanDerWaalsContact O-ND2 3.13Å
791	P	89.4	Confident	88.7	Confident	95 Å²	95	62.7 Å²	62.7	62%	0.617	32%	0.32	S	S	*	.	H	α-helix	trans	-58.3	-39.7	177.6	-26.6	36.1	0	0	0	113.9	D789 A795	D789-P791 VanDerWaalsContact C-N 3.3Å; P791-A795 PolarHBondContact O-N 3.18Å
792	S	88.4	Confident	88.7	Confident	64 Å²	64	64.8 Å²	64.8	45%	0.448	33%	0.332	S	S	.	.	H	α-helix	trans	-72.1	-40.3	179.5	-57	0	0	0	0	111.8	D789 S790 R796	D789-S792 PolarHBondContact O-N 3Å; D789-S792 VanDerWaalsContact O-N 3.13Å; D789-S792 WeakPolarHBondContact OD1-CB 3.12Å; D789-S792 PolarHBondContact OD1-OG 3.15Å; D789-S792 WeakPolarHBondContact OD2-CB 3.41Å; S790-S792 VanDerWaalsContact C-N 3.32Å; S790-S792 PolarHBondContact O-N 2.76Å; S792-R796 PolarHBondContact O-N 3.39Å
793	V	90.7	Very high	88.6	Confident	12 Å²	12	67.8 Å²	67.8	7%	0.073	35%	0.346	C	S	.	.	H	α-helix	trans	-58.9	-48.5	175	169	0	0	0	0	110.6	F720 A779 L782 Y787 D789 S790 R796 C797	F720-V793 HydrophobicContact CD1-CB 4.41Å; F720-V793 HydrophobicContact CD1-CG1 3.89Å; F720-V793 HydrophobicContact CD1-CG2 4.02Å; F720-V793 HydrophobicContact CD2-CG1 3.99Å; F720-V793 HydrophobicContact CE1-CB 4Å; F720-V793 HydrophobicContact CE1-CG1 3.63Å; F720-V793 HydrophobicContact CE1-CG2 3.98Å; F720-V793 HydrophobicContact CE2-CG1 3.74Å; F720-V793 HydrophobicContact CG-CG1 4.08Å; F720-V793 HydrophobicContact CZ-CB 4.25Å; F720-V793 HydrophobicContact CZ-CG1 3.55Å; F720-V793 WeakPolarHBondContact CZ-O 3.27Å; A779-V793 HydrophobicContact CB-CG1 3.72Å; L782-V793 HydrophobicContact CD1-CG1 4.26Å; Y787-V793 HydrophobicContact CE1-CG2 4.38Å; D789-V793 PolarHBondContact O-N 3.35Å; S790-V793 PolarHBondContact O-N 3.05Å; V793-R796 PolarHBondContact O-N 2.68Å; V793-C797 PolarHBondContact O-N 3.09Å
794	N	90.1	Very high	88.6	Confident	61 Å²	61	66.2 Å²	66.2	33%	0.326	34%	0.336	S	S	.	.	H	α-helix	trans	-64.3	-43.8	-179.2	-68.7	-28.2	0	0	0	112.7	N783 S790 R796 C797 Q798	N783-N794 PolarHBondContact ND2-ND2 2.98Å; N783-N794 VanDerWaalsContact ND2-ND2 3.17Å; N783-N794 PolarHBondContact ND2-OD1 3.41Å; N783-N794 PolarHBondContact OD1-ND2 2.91Å; S790-N794 WeakPolarHBondContact O-CB 3.47Å; S790-N794 VanDerWaalsContact O-CG 3.23Å; S790-N794 PolarHBondContact O-N 2.84Å; S790-N794 PolarHBondContact O-ND2 2.92Å; S790-N794 VanDerWaalsContact O-ND2 3.13Å; N794-R796 VanDerWaalsContact C-N 3.25Å; N794-R796 PolarHBondContact O-N 2.65Å; N794-C797 PolarHBondContact O-N 3.16Å; N794-Q798 PolarHBondContact O-N 3.05Å; N794-Q798 VanDerWaalsContact O-N 3.08Å
795	A	90.1	Very high	88.5	Confident	49 Å²	49	65.8 Å²	65.8	41%	0.405	34%	0.338	S	S	.	.	H	α-helix	trans	-62.1	-33.8	177.8	0	0	0	0	0	112.6	P791 R799	P791-A795 PolarHBondContact O-N 3.18Å; A795-R799 PolarHBondContact O-NH1 3.21Å
796	R	92.1	Very high	88.2	Confident	56 Å²	56	66.3 Å²	66.3	21%	0.211	35%	0.349	C	S	.	.	H	α-helix	trans	-74.6	-42.7	176.1	-171.9	176.7	-176.2	-169.4	-0.3	112.1	F720 E728 S792 V793 N794 Q798 R799 I800	F720-R796 HydrophobicContact CZ-CB 4.46Å; E728-R796 WeakPolarHBondContact OE1-CG 3.35Å; E728-R796 IonicContact OE1-CZ 2.93Å; E728-R796 IonicContact OE1-NE 3.57Å; E728-R796 PolarHBondContact OE1-NE 2.96Å; E728-R796 IonicContact OE1-NH2 3.25Å; E728-R796 IonicContact OE2-CZ 2.63Å; E728-R796 IonicContact OE2-NE 2.67Å; E728-R796 PolarHBondContact OE2-NE 3.34Å; E728-R796 IonicContact OE2-NH2 2.77Å; E728-R796 PolarHBondContact OE2-NH2 3.41Å; S792-R796 PolarHBondContact O-N 3.39Å; V793-R796 PolarHBondContact O-N 2.68Å; N794-R796 VanDerWaalsContact C-N 3.25Å; N794-R796 PolarHBondContact O-N 2.65Å; R796-Q798 VanDerWaalsContact C-N 3.32Å; R796-Q798 PolarHBondContact O-N 3.01Å; R796-R799 PolarHBondContact O-N 3.44Å; R796-I800 PolarHBondContact O-N 3.09Å
797	C	91.7	Very high	88.1	Confident	12 Å²	12	59.6 Å²	59.6	8%	0.081	31%	0.313	C	S	.	.	H	α-helix	trans	-58.2	-43.7	177.3	-170.1	0	0	0	0	112	F720 A779 V793 N794 R799 I800 C801	F720-C797 HydrophobicContact CE2-CB 4.35Å; F720-C797 HydrophobicContact CZ-CB 4.4Å; A779-C797 HydrophobicContact CB-CB 4.33Å; V793-C797 PolarHBondContact O-N 3.09Å; N794-C797 PolarHBondContact O-N 3.16Å; C797-R799 PolarHBondContact O-N 2.73Å; C797-I800 WeakPolarHBondContact O-CB 3.5Å; C797-I800 PolarHBondContact O-N 3.17Å; C797-C801 PolarHBondContact O-N 3.1Å; C797-C801 VanDerWaalsContact O-N 3.15Å; C797-C801 PolarHBondContact O-SG 2.63Å
798	Q	89.5	Confident	88	Confident	110 Å²	110	59.9 Å²	59.9	51%	0.514	32%	0.322	S	S	.	.	H	α-helix	trans	-59.4	-43.7	179.8	-172.9	62.5	48.7	0	0	112.7	N794 R796 I800 C801 D802	N794-Q798 PolarHBondContact O-N 3.05Å; N794-Q798 VanDerWaalsContact O-N 3.08Å; R796-Q798 VanDerWaalsContact C-N 3.32Å; R796-Q798 PolarHBondContact O-N 3.01Å; Q798-I800 VanDerWaalsContact C-N 3.26Å; Q798-I800 PolarHBondContact O-N 2.74Å; Q798-C801 PolarHBondContact O-N 3.1Å; Q798-D802 PolarHBondContact NE2-OD1 2.92Å; Q798-D802 VanDerWaalsContact O-CG 3.28Å; Q798-D802 PolarHBondContact O-N 2.84Å
799	R	89.6	Confident	87.9	Confident	145 Å²	145	55.4 Å²	55.4	55%	0.547	32%	0.319	S	S	.	.	H	α-helix	trans	-61.6	-35.6	178.8	-70.3	-169.3	-60.4	-87.2	4.7	112.8	A795 R796 C797 Q803	A795-R799 PolarHBondContact O-NH1 3.21Å; R796-R799 PolarHBondContact O-N 3.44Å; C797-R799 PolarHBondContact O-N 2.73Å; R799-Q803 PolarHBondContact O-N 2.75Å
800	I	88.9	Confident	87.6	Confident	2 Å²	2	55 Å²	55	1%	0.01	32%	0.316	C	S	.	.	H	α-helix	trans	-66.8	-46.1	177.6	-73.7	170.1	0	0	0	110.4	A724 H727 E728 V772 R796 C797 Q798 D802 Q803 W804	A724-I800 HydrophobicContact CB-CD1 3.88Å; H727-I800 WeakPolarHBondContact CD2-CG2 3.34Å; H727-I800 WeakPolarHBondContact NE2-CG2 3.32Å; E728-I800 HydrophobicContact CG-CD1 3.98Å; E728-I800 HydrophobicContact CG-CG1 3.94Å; V772-I800 HydrophobicContact CG1-CG2 4.43Å; V772-I800 HydrophobicContact CG2-CG2 4.43Å; R796-I800 PolarHBondContact O-N 3.09Å; C797-I800 WeakPolarHBondContact O-CB 3.5Å; C797-I800 PolarHBondContact O-N 3.17Å; Q798-I800 VanDerWaalsContact C-N 3.26Å; Q798-I800 PolarHBondContact O-N 2.74Å; I800-D802 PolarHBondContact O-N 2.69Å; I800-Q803 PolarHBondContact O-N 3.45Å; I800-W804 WeakPolarHBondContact O-CB 3.44Å; I800-W804 PolarHBondContact O-N 3.29Å; I800-W804 VanDerWaalsContact O-N 3.12Å
801	C	88.8	Confident	87.3	Confident	36 Å²	36	54.4 Å²	54.4	24%	0.243	31%	0.312	C	S	.	.	H	α-helix	trans	-59.3	-44.7	176.5	-65.8	0	0	0	0	111.9	C797 Q798 Q803 W804 D805	C797-C801 PolarHBondContact O-N 3.1Å; C797-C801 VanDerWaalsContact O-N 3.15Å; C797-C801 PolarHBondContact O-SG 2.63Å; Q798-C801 PolarHBondContact O-N 3.1Å; C801-Q803 PolarHBondContact O-N 2.92Å; C801-W804 WeakPolarHBondContact O-CB 3.42Å; C801-W804 PolarHBondContact O-N 3.27Å; C801-D805 PolarHBondContact O-N 3.03Å
802	D	87.4	Confident	86.9	Confident	95 Å²	95	54.4 Å²	54.4	51%	0.508	31%	0.31	S	S	.	.	H	α-helix	trans	-65.1	-37.3	-178.8	-61.2	-18.1	0	0	0	112.5	Q798 I800	Q798-D802 PolarHBondContact NE2-OD1 2.92Å; Q798-D802 VanDerWaalsContact O-CG 3.28Å; Q798-D802 PolarHBondContact O-N 2.84Å; I800-D802 PolarHBondContact O-N 2.69Å
803	Q	87.3	Confident	86.4	Confident	62 Å²	62	59.4 Å²	59.4	29%	0.29	32%	0.324	S	S	.	.	H	α-helix	trans	-69.3	-34.5	176.8	-172.8	178.1	33.1	0	0	112.3	T731 R799 I800 C801 A806 L807	T731-Q803 PolarHBondContact OG1-OE1 3.42Å; R799-Q803 PolarHBondContact O-N 2.75Å; I800-Q803 PolarHBondContact O-N 3.45Å; C801-Q803 PolarHBondContact O-N 2.92Å; Q803-A806 PolarHBondContact O-N 3.47Å; Q803-L807 PolarHBondContact O-N 2.79Å
804	W	89.1	Confident	85.9	Confident	18 Å²	18	60 Å²	60	7%	0.068	33%	0.325	C	S	.	.	H	α-helix	trans	-62.5	-46.9	-178.7	-177.9	-102.7	0	0	0	112.9	H727 W730 L765 H768 Q769 V772 I800 C801 A806 L807 G808	H727-W804 AromaticContact CE1-CE3 3.54Å; H727-W804 AromaticContact CE1-CZ3 3.67Å; H727-W804 AromaticContact NE2-CE3 3.97Å; W730-W804 HydrophobicContact CE3-CZ3 4.34Å; W730-W804 HydrophobicContact CH2-CH2 4.29Å; W730-W804 AromaticContact CH2-CZ3 3.83Å; W730-W804 HydrophobicContact CH2-CZ3 3.83Å; W730-W804 HydrophobicContact CZ3-CE3 4.23Å; W730-W804 HydrophobicContact CZ3-CH2 4.35Å; W730-W804 AromaticContact CZ3-CZ3 3.47Å; W730-W804 HydrophobicContact CZ3-CZ3 3.47Å; W730-W804 VanDerWaalsContact CZ3-CZ3 3.47Å; L765-W804 HydrophobicContact CB-CH2 4.33Å; L765-W804 HydrophobicContact CD1-CE3 4.17Å; L765-W804 HydrophobicContact CD1-CH2 3.47Å; L765-W804 VanDerWaalsContact CD1-CH2 3.47Å; L765-W804 HydrophobicContact CD1-CZ2 3.88Å; L765-W804 HydrophobicContact CD1-CZ3 3.66Å; L765-W804 HydrophobicContact CG-CH2 3.85Å; L765-W804 HydrophobicContact CG-CZ2 3.93Å; L765-W804 WeakPolarHBondContact O-CH2 3.3Å; L765-W804 WeakPolarHBondContact O-CZ2 3.41Å; H768-W804 HydrophobicContact CB-CH2 3.38Å; H768-W804 HydrophobicContact CB-CZ2 4.43Å; H768-W804 HydrophobicContact CB-CZ3 3.78Å; Q769-W804 HydrophobicContact CB-CZ2 4.17Å; V772-W804 HydrophobicContact CG2-CD2 3.91Å; V772-W804 HydrophobicContact CG2-CE3 3.89Å; V772-W804 HydrophobicContact CG2-CG 4.28Å; V772-W804 HydrophobicContact CG2-CZ3 4.28Å; I800-W804 WeakPolarHBondContact O-CB 3.44Å; I800-W804 PolarHBondContact O-N 3.29Å; I800-W804 VanDerWaalsContact O-N 3.12Å; C801-W804 WeakPolarHBondContact O-CB 3.42Å; C801-W804 PolarHBondContact O-N 3.27Å; W804-A806 PolarHBondContact O-N 3.33Å; W804-L807 PolarHBondContact O-N 3.45Å; W804-G808 PolarHBondContact O-N 3.42Å
805	D	85.2	Confident	85.4	Confident	121 Å²	121	58.2 Å²	58.2	65%	0.647	32%	0.316	S	S	*	.	H	α-helix	trans	-59.8	-34.3	179.6	-72	-20.2	0	0	0	112.1	C801	C801-D805 PolarHBondContact O-N 3.03Å
806	A	82.3	Confident	84.7	Confident	52 Å²	52	63.3 Å²	63.3	43%	0.43	33%	0.331	S	S	.	.	H	α-helix	trans	-70.5	-38.1	178.5	0	0	0	0	0	113.4	Q803 W804 A809	Q803-A806 PolarHBondContact O-N 3.47Å; W804-A806 PolarHBondContact O-N 3.33Å; A806-A809 PolarHBondContact O-N 2.91Å
807	L	82.8	Confident	83.6	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-65.8	-37.1	178.4	-81.9	167.8	0	0	0	112.5	W730 T731 K734 E735 L738 L765 Q803 W804 A809 M810 T811	W730-L807 HydrophobicContact CZ3-CD1 4.33Å; T731-L807 HydrophobicContact CG2-CD1 3.9Å; K734-L807 HydrophobicContact CB-CD2 3.88Å; E735-L807 HydrophobicContact CB-CD2 4.47Å; E735-L807 HydrophobicContact CG-CD2 3.57Å; E735-L807 HydrophobicContact CG-CG 4.24Å; L738-L807 HydrophobicContact CD1-CD2 4.01Å; L765-L807 HydrophobicContact CD1-CB 4.21Å; Q803-L807 PolarHBondContact O-N 2.79Å; W804-L807 PolarHBondContact O-N 3.45Å; L807-A809 VanDerWaalsContact C-N 3.33Å; L807-A809 PolarHBondContact O-N 3.48Å; L807-M810 PolarHBondContact O-N 3.01Å; L807-T811 PolarHBondContact O-N 3.18Å; L807-T811 PolarHBondContact O-OG1 3.17Å
808	G	83.8	Confident	82.5	Confident	28 Å²	28	62 Å²	62	29%	0.289	33%	0.333	S	S	.	.	H	α-helix	trans	-55.9	-45.2	175.4	0	0	0	0	0	113	W804 M810 T811	W804-G808 PolarHBondContact O-N 3.42Å; G808-M810 VanDerWaalsContact C-N 3.34Å; G808-M810 PolarHBondContact O-N 3.31Å; G808-T811 PolarHBondContact O-N 3.2Å
809	A	81.5	Confident	81.8	Confident	70 Å²	70	62.3 Å²	62.3	58%	0.579	34%	0.335	S	S	*	.	H	α-helix	trans	-66.8	-28.8	-178.1	0	0	0	0	0	114.3	A806 L807	A806-A809 PolarHBondContact O-N 2.91Å; L807-A809 VanDerWaalsContact C-N 3.33Å; L807-A809 PolarHBondContact O-N 3.48Å
810	M	80.9	Confident	80.7	Confident	54 Å²	54	66.1 Å²	66.1	27%	0.266	35%	0.349	S	S	.	.	H	α-helix	trans	-81.4	-21.5	179.7	-72	-132.6	-74.8	0	0	113.7	E735 L738 Q739 L807 G808	E735-M810 HydrophobicContact CB-CE 3.72Å; E735-M810 HydrophobicContact CG-CE 4.06Å; E735-M810 WeakPolarHBondContact O-CE 3.2Å; L738-M810 HydrophobicContact CB-CB 4.24Å; L738-M810 HydrophobicContact CD1-CB 3.71Å; Q739-M810 HydrophobicContact CG-CE 4.38Å; Q739-M810 HydrophobicContact CG-SD 4.21Å; Q739-M810 PolarHBondContact NE2-SD 3.02Å; L807-M810 PolarHBondContact O-N 3.01Å; G808-M810 VanDerWaalsContact C-N 3.34Å; G808-M810 PolarHBondContact O-N 3.31Å
811	T	82.7	Confident	79.7	Confident	1 Å²	1	68.3 Å²	68.3	1%	0.006	36%	0.363	C	S	.	.	H	α-helix	trans	-73.2	-50.3	-174.5	-52.7	0	0	0	0	111.6	L738 H758 F761 E762 L807 G808 K813 R814	L738-T811 HydrophobicContact CD2-CG2 4.23Å; H758-T811 VanDerWaalsContact CE1-CG2 3.48Å; H758-T811 WeakPolarHBondContact CE1-CG2 3.27Å; H758-T811 PolarHBondContact CE1-O 3.12Å; H758-T811 VanDerWaalsContact CE1-O 3.22Å; H758-T811 PolarHBondContact NE2-O 3.49Å; F761-T811 HydrophobicContact CD1-CG2 3.58Å; F761-T811 HydrophobicContact CE1-CG2 3.87Å; F761-T811 VanDerWaalsContact CE1-OG1 3.31Å; F761-T811 WeakPolarHBondContact CE1-OG1 3.31Å; E762-T811 HydrophobicContact CB-CG2 4.42Å; E762-T811 HydrophobicContact CG-CG2 3.21Å; L807-T811 PolarHBondContact O-N 3.18Å; L807-T811 PolarHBondContact O-OG1 3.17Å; G808-T811 PolarHBondContact O-N 3.2Å; T811-K813 PolarHBondContact O-N 2.89Å; T811-R814 PolarHBondContact O-N 2.94Å
812	V	83	Confident	78.4	Confident	94 Å²	94	69.2 Å²	69.2	57%	0.57	36%	0.364	S	S	*	.	H	α-helix	trans	-49.6	-33.4	-178.7	178.4	0	0	0	0	113.4	R814	V812-R814 PolarHBondContact O-N 3.33Å
813	K	77.3	Confident	77.6	Confident	169 Å²	169	72.5 Å²	72.5	74%	0.735	37%	0.373	S	S	*	.	H	α-helix	trans	-72.4	-20.7	-178.7	-70.3	-179.7	-179.3	171.6	0	115	T811	T811-K813 PolarHBondContact O-N 2.89Å
814	R	80.2	Confident	76.3	Confident	24 Å²	24	77 Å²	77	9%	0.091	40%	0.399	C	S	.	.	H	α-helix	trans	-95.9	-20.2	-175.7	165.5	179.8	171.1	90	-0.3	112.6	L738 K740 D742 H758 T811 V812 E816 A817 L818	L738-R814 WeakPolarHBondContact O-CD 3.27Å; K740-R814 PolarHBondContact O-NH1 3.46Å; D742-R814 VanDerWaalsContact CG-NH2 3.29Å; D742-R814 IonicContact OD1-CZ 3.37Å; D742-R814 VanDerWaalsContact OD1-CZ 3.25Å; D742-R814 IonicContact OD1-NH1 3.58Å; D742-R814 PolarHBondContact OD1-NH1 2.84Å; D742-R814 IonicContact OD1-NH2 3.18Å; D742-R814 PolarHBondContact OD1-NH2 2.79Å; D742-R814 IonicContact OD2-CZ 3.81Å; D742-R814 IonicContact OD2-NH2 2.66Å; D742-R814 PolarHBondContact OD2-NH2 2.61Å; H758-R814 WeakPolarHBondContact CE1-CB 3.48Å; H758-R814 VanDerWaalsContact CE1-CG 3.42Å; H758-R814 WeakPolarHBondContact CE1-CG 3.41Å; H758-R814 VanDerWaalsContact NE2-CB 3.27Å; H758-R814 WeakPolarHBondContact NE2-CB 3.27Å; T811-R814 PolarHBondContact O-N 2.94Å; V812-R814 PolarHBondContact O-N 3.33Å; R814-E816 PolarHBondContact O-N 2.94Å; R814-A817 PolarHBondContact O-N 2.94Å; R814-L818 HydrophobicContact CG-CD1 4.12Å
815	T	79.4	Confident	75.1	Confident	24 Å²	24	76.6 Å²	76.6	15%	0.147	40%	0.397	C	S	.	.	H	α-helix	trans	-60.9	-42.5	176.8	-51.2	0	0	0	0	112.7	H758 E762 A817 L818	H758-T815 WeakPolarHBondContact CD2-CA 3.17Å; H758-T815 PolarHBondContact CD2-N 3.49Å; H758-T815 PolarHBondContact CD2-OG1 2.87Å; H758-T815 PolarHBondContact NE2-N 3.02Å; H758-T815 PolarHBondContact NE2-OG1 2.73Å; E762-T815 PolarHBondContact OE1-OG1 3.12Å; T815-A817 VanDerWaalsContact C-N 3.27Å; T815-A817 PolarHBondContact O-N 3.26Å; T815-L818 PolarHBondContact O-N 3.23Å
816	E	75.7	Confident	74.2	Confident	156 Å²	156	74.6 Å²	74.6	73%	0.729	38%	0.384	S	S	*	.	H	α-helix	trans	-62.9	-28.2	-177.3	-63.1	-177	161.3	0	0	113.5	R814	R814-E816 PolarHBondContact O-N 2.94Å
817	A	69.2	Low	73.2	Confident	40 Å²	40	77 Å²	77	33%	0.331	39%	0.394	S	S	.	.	H	α-helix	trans	-82.6	-24.1	-176.7	0	0	0	0	0	114	Y743 R814 T815	Y743-A817 HydrophobicContact CD1-CB 4.45Å; Y743-A817 HydrophobicContact CE1-CB 4.08Å; R814-A817 PolarHBondContact O-N 2.94Å; T815-A817 VanDerWaalsContact C-N 3.27Å; T815-A817 PolarHBondContact O-N 3.26Å
818	L	67.6	Low	72.4	Confident	0 Å²	0	77.8 Å²	77.8	0%	0	40%	0.398	C	S	.	.	H	α-helix	trans	-82.4	-37.2	-170.8	-73.3	163.1	0	0	0	113.2	Y743 I751 L754 L755 H758 R814 T815 R820 T821	Y743-L818 VanDerWaalsContact CB-CD2 3.45Å; Y743-L818 HydrophobicContact CD1-CD2 4.41Å; Y743-L818 HydrophobicContact CG-CD2 4.24Å; I751-L818 HydrophobicContact CD1-CD2 4.21Å; L754-L818 HydrophobicContact CB-CD1 4.32Å; L754-L818 HydrophobicContact CB-CD2 3.25Å; L754-L818 HydrophobicContact CB-CG 4.36Å; L754-L818 HydrophobicContact CD1-CD2 4.26Å; L754-L818 HydrophobicContact CG-CD2 4.31Å; L754-L818 WeakPolarHBondContact O-CD1 3.4Å; L755-L818 HydrophobicContact CB-CB 4.15Å; L755-L818 HydrophobicContact CD1-CB 3.91Å; L755-L818 WeakPolarHBondContact CD1-O 3.19Å; L755-L818 HydrophobicContact CG-CB 3.58Å; H758-L818 HydrophobicContact CB-CD1 3.54Å; R814-L818 HydrophobicContact CG-CD1 4.12Å; T815-L818 PolarHBondContact O-N 3.23Å; L818-R820 PolarHBondContact O-N 2.93Å; L818-T821 PolarHBondContact O-N 3.2Å
819	Q	74.9	Confident	71.4	Confident	117 Å²	117	77.3 Å²	77.3	55%	0.547	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.1	-26.1	179.8	-76.6	176.2	-2.7	0	0	115.4	L755	L755-Q819 HydrophobicContact CD2-CB 4.16Å; L755-Q819 HydrophobicContact CD2-CG 3.21Å; L755-Q819 HydrophobicContact CG-CG 4.01Å
820	R	66.8	Low	71	Confident	226 Å²	226	80.1 Å²	80.1	85%	0.853	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-33.4	-172.4	-174	175.7	174.8	175.9	-2.1	115.7	L818	L818-R820 PolarHBondContact O-N 2.93Å
821	T	66.9	Low	70.4	Confident	48 Å²	48	80.4 Å²	80.4	29%	0.294	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-11.9	-172.2	-65.4	0	0	0	0	112.6	I751 L818 K823	I751-T821 HydrophobicContact CB-CG2 3.95Å; I751-T821 HydrophobicContact CD1-CG2 3.5Å; I751-T821 HydrophobicContact CG1-CG2 3.58Å; I751-T821 VanDerWaalsContact CG2-C 3.44Å; I751-T821 HydrophobicContact CG2-CG2 4.1Å; I751-T821 WeakPolarHBondContact CG2-O 3.34Å; L818-T821 PolarHBondContact O-N 3.2Å; T821-K823 PolarHBondContact O-N 3.11Å
822	E	62.8	Low	69.9	Low	55 Å²	55	80.4 Å²	80.4	26%	0.257	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-57.8	-38.6	175.1	146.7	-178.2	-128.3	0	0	115.7	L748 I751 K752 L755 L824	L748-E822 WeakPolarHBondContact CD1-O 3.48Å; I751-E822 HydrophobicContact CG2-CB 4.17Å; K752-E822 HydrophobicContact CD-CG 3.99Å; K752-E822 WeakPolarHBondContact CE-OE1 3.43Å; K752-E822 HydrophobicContact CG-CB 3.59Å; K752-E822 HydrophobicContact CG-CG 3.33Å; K752-E822 WeakPolarHBondContact CG-OE1 3.48Å; K752-E822 IonicContact NZ-OE1 2.79Å; K752-E822 PolarHBondContact NZ-OE1 3.42Å; L755-E822 HydrophobicContact CD1-CB 3.88Å; E822-L824 VanDerWaalsContact C-N 3.29Å; E822-L824 PolarHBondContact O-N 3.1Å
823	K	70.8	Confident	69.2	Low	163 Å²	163	79.6 Å²	79.6	71%	0.709	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-69.8	-25.3	-163.2	-167.4	170.7	-179.6	173.6	0	114.8	T821 L825	T821-K823 PolarHBondContact O-N 3.11Å; K823-L825 PolarHBondContact O-N 2.84Å
824	L	60.3	Low	69.1	Low	158 Å²	158	76.4 Å²	76.4	83%	0.827	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-76.9	-22.2	-172.7	-93.2	161.7	0	0	0	114.5	E822	E822-L824 VanDerWaalsContact C-N 3.29Å; E822-L824 PolarHBondContact O-N 3.1Å
825	L	62.2	Low	69	Low	8 Å²	8	75.2 Å²	75.2	4%	0.042	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-8.1	-164.1	-78.8	126.3	0	0	0	110.5	A746 L748 I751 K823 T827 I828 D829 V905 M907	A746-L825 WeakPolarHBondContact O-CD1 3.24Å; L748-L825 VanDerWaalsContact CA-CD1 3.45Å; L748-L825 VanDerWaalsContact CA-CG 3.45Å; L748-L825 HydrophobicContact CB-CB 2.89Å; L748-L825 HydrophobicContact CB-CD1 4.28Å; L748-L825 HydrophobicContact CB-CD2 3.81Å; L748-L825 HydrophobicContact CB-CG 3.72Å; L748-L825 HydrophobicContact CD1-CB 2.94Å; L748-L825 HydrophobicContact CD1-CD1 4.36Å; L748-L825 HydrophobicContact CD1-CG 4.14Å; L748-L825 HydrophobicContact CD2-CB 4.01Å; L748-L825 WeakPolarHBondContact CD2-O 3.3Å; L748-L825 VanDerWaalsContact CG-C 3.47Å; L748-L825 HydrophobicContact CG-CB 3.23Å; L748-L825 HydrophobicContact CG-CG 4.42Å; I751-L825 HydrophobicContact CG2-CD1 3.96Å; K823-L825 PolarHBondContact O-N 2.84Å; L825-T827 VanDerWaalsContact C-N 3.26Å; L825-T827 PolarHBondContact O-N 3.1Å; L825-I828 PolarHBondContact O-N 3.15Å; L825-D829 PolarHBondContact O-N 3.25Å; L825-V905 HydrophobicContact CD1-CG1 4.47Å; L825-V905 HydrophobicContact CD2-CG1 3.29Å; L825-V905 HydrophobicContact CG-CG1 4.04Å; L825-M907 HydrophobicContact CD2-CE 3.77Å; L825-M907 HydrophobicContact CD2-SD 3.3Å; L825-M907 WeakPolarHBondContact CD2-SD 3.25Å
826	E	67.2	Low	68.4	Low	79 Å²	79	74.3 Å²	74.3	37%	0.369	36%	0.362	S	S	.	.	H	α-helix	trans	-63.3	-11.9	-177.1	-136.7	167.8	-153.5	0	0	115.3	L748 K752 D829	L748-E826 VanDerWaalsContact CD2-CA 3.46Å; L748-E826 HydrophobicContact CD2-CB 4.41Å; L748-E826 VanDerWaalsContact CD2-N 3.29Å; K752-E826 IonicContact NZ-OE1 3.94Å; K752-E826 PolarHBondContact NZ-OE1 2.9Å; E826-D829 VanDerWaalsContact O-CB 3.23Å; E826-D829 WeakPolarHBondContact O-CB 3.28Å
827	T	62.1	Low	68.6	Low	103 Å²	103	74.5 Å²	74.5	63%	0.632	36%	0.361	S	S	*	.	H	α-helix	trans	-99.1	-40.5	-179.8	-50.1	0	0	0	0	113.2	L825 D829 Q830	L825-T827 VanDerWaalsContact C-N 3.26Å; L825-T827 PolarHBondContact O-N 3.1Å; T827-D829 PolarHBondContact O-N 3.5Å; T827-Q830 PolarHBondContact O-N 3.19Å; T827-Q830 VanDerWaalsContact O-N 3.17Å
828	I	64.8	Low	69.2	Low	16 Å²	16	76.8 Å²	76.8	8%	0.082	36%	0.361	C	S	.	.	H	α-helix	trans	-58.4	-31.5	164.7	-71.6	171.3	0	0	0	109.3	L825 Y832 I899 V900 M907	L825-I828 PolarHBondContact O-N 3.15Å; I828-Y832 HydrophobicContact CG2-CD2 3.99Å; I828-Y832 HydrophobicContact CG2-CE2 3.94Å; I828-Y832 WeakPolarHBondContact O-CD2 3.5Å; I828-I899 HydrophobicContact CD1-CG2 4.35Å; I828-I899 HydrophobicContact CG1-CG2 3.68Å; I828-V900 HydrophobicContact CD1-CG2 4.49Å; I828-V900 HydrophobicContact CG2-CG2 4.02Å; I828-M907 HydrophobicContact CG2-CE 3.94Å
829	D	63	Low	69.7	Low	18 Å²	18	76.8 Å²	76.8	10%	0.096	36%	0.361	C	S	.	.	H	α-helix	trans	-54.5	-59.4	172.7	-141.4	37.5	0	0	0	110.1	L748 L825 E826 T827 L831 Y832 L833 P912 Y913	L748-D829 HydrophobicContact CD2-CB 3.4Å; L748-D829 VanDerWaalsContact CD2-CB 3.4Å; L748-D829 WeakPolarHBondContact CD2-OD1 3.35Å; L748-D829 WeakPolarHBondContact CD2-OD2 3.33Å; L825-D829 PolarHBondContact O-N 3.25Å; E826-D829 VanDerWaalsContact O-CB 3.23Å; E826-D829 WeakPolarHBondContact O-CB 3.28Å; T827-D829 PolarHBondContact O-N 3.5Å; D829-L831 VanDerWaalsContact C-N 3.29Å; D829-L831 PolarHBondContact O-N 3Å; D829-Y832 CarbonylContact O-C 3.46Å; D829-Y832 WeakPolarHBondContact O-CA 3.23Å; D829-Y832 VanDerWaalsContact O-CB 3.26Å; D829-Y832 WeakPolarHBondContact O-CB 3.36Å; D829-Y832 PolarHBondContact O-N 3.47Å; D829-L833 PolarHBondContact O-N 2.93Å; D829-P912 WeakPolarHBondContact OD1-CG 3.21Å; D829-Y913 WeakPolarHBondContact CA-OH 2.91Å; D829-Y913 HydrophobicContact CB-CE2 3.46Å; D829-Y913 VanDerWaalsContact CB-CE2 3.46Å; D829-Y913 WeakPolarHBondContact CB-OH 2.89Å; D829-Y913 WeakPolarHBondContact O-CD2 3.19Å; D829-Y913 WeakPolarHBondContact O-CE2 3.48Å; D829-Y913 VanDerWaalsContact O-CZ 3.27Å; D829-Y913 PolarHBondContact O-OH 2.83Å; D829-Y913 WeakPolarHBondContact OD1-CE2 3.25Å; D829-Y913 PolarHBondContact OD1-OH 3.47Å; D829-Y913 WeakPolarHBondContact OD2-CE1 3.3Å; D829-Y913 PolarHBondContact OD2-OH 3.43Å
830	Q	73.8	Confident	69.7	Low	129 Å²	129	72.8 Å²	72.8	60%	0.603	35%	0.348	S	S	*	.	H	α-helix	trans	-58	-23.5	-164.5	-133.5	164	12.9	0	0	118.5	T827 L833 Y913	T827-Q830 PolarHBondContact O-N 3.19Å; T827-Q830 VanDerWaalsContact O-N 3.17Å; Q830-L833 HydrophobicContact CG-CD2 4.39Å; Q830-L833 WeakPolarHBondContact O-CB 3.31Å; Q830-Y913 PolarHBondContact N-OH 3.03Å; Q830-Y913 VanDerWaalsContact N-OH 3.15Å
831	L	67.6	Low	70.3	Confident	61 Å²	61	65.7 Å²	65.7	32%	0.319	33%	0.331	S	S	.	.	H	α-helix	trans	-85	-33.4	173	-77.1	161.4	0	0	0	112.5	D829 L833 E834 F835 I896 I899	D829-L831 VanDerWaalsContact C-N 3.29Å; D829-L831 PolarHBondContact O-N 3Å; L831-L833 PolarHBondContact O-N 3.39Å; L831-E834 PolarHBondContact O-N 2.86Å; L831-F835 PolarHBondContact O-N 3.37Å; L831-I896 HydrophobicContact CB-CG1 3.8Å; L831-I899 HydrophobicContact CD1-CD1 3.24Å
832	Y	71.3	Confident	71.1	Confident	1 Å²	1	64 Å²	64	0%	0.004	32%	0.319	C	S	.	.	H	α-helix	trans	-62.5	-31.2	166.8	-83.5	-40.9	0	0	0	111	I828 D829 E834 A836 I896 G909 T910 N911 P912 Y913	I828-Y832 HydrophobicContact CG2-CD2 3.99Å; I828-Y832 HydrophobicContact CG2-CE2 3.94Å; I828-Y832 WeakPolarHBondContact O-CD2 3.5Å; D829-Y832 CarbonylContact O-C 3.46Å; D829-Y832 WeakPolarHBondContact O-CA 3.23Å; D829-Y832 VanDerWaalsContact O-CB 3.26Å; D829-Y832 WeakPolarHBondContact O-CB 3.36Å; D829-Y832 PolarHBondContact O-N 3.47Å; Y832-E834 PolarHBondContact O-N 3.4Å; Y832-A836 WeakPolarHBondContact O-CB 3.39Å; Y832-A836 PolarHBondContact O-N 3.19Å; Y832-I896 HydrophobicContact CD1-CB 3.51Å; Y832-I896 HydrophobicContact CD1-CD1 3.38Å; Y832-I896 HydrophobicContact CD1-CG1 3.37Å; Y832-I896 HydrophobicContact CD1-CG2 3.4Å; Y832-I896 VanDerWaalsContact CD1-CG2 3.4Å; Y832-I896 HydrophobicContact CD2-CG2 3.52Å; Y832-I896 HydrophobicContact CE1-CB 3.34Å; Y832-I896 HydrophobicContact CE1-CD1 3.86Å; Y832-I896 HydrophobicContact CE1-CG1 3.78Å; Y832-I896 HydrophobicContact CE1-CG2 3.2Å; Y832-I896 HydrophobicContact CE2-CB 4.4Å; Y832-I896 HydrophobicContact CE2-CG2 3.33Å; Y832-I896 HydrophobicContact CG-CB 4.16Å; Y832-I896 HydrophobicContact CG-CD1 4.26Å; Y832-I896 HydrophobicContact CG-CG1 3.9Å; Y832-I896 HydrophobicContact CG-CG2 3.6Å; Y832-G909 PolarHBondContact OH-O 3.34Å; Y832-G909 VanDerWaalsContact OH-O 3.12Å; Y832-T910 WeakPolarHBondContact CE2-O 3.46Å; Y832-T910 VanDerWaalsContact OH-CA 3.23Å; Y832-T910 WeakPolarHBondContact OH-CA 3.41Å; Y832-T910 PolarHBondContact OH-N 3.15Å; Y832-T910 PolarHBondContact OH-O 2.92Å; Y832-T910 VanDerWaalsContact OH-O 3.09Å; Y832-N911 VanDerWaalsContact CA-ND2 3.29Å; Y832-N911 WeakPolarHBondContact CA-ND2 3.2Å; Y832-N911 VanDerWaalsContact CB-CG 3.43Å; Y832-N911 VanDerWaalsContact CB-OD1 3.25Å; Y832-N911 WeakPolarHBondContact CB-OD1 3.45Å; Y832-N911 HydrophobicContact CD1-CB 3.1Å; Y832-N911 WeakPolarHBondContact CD1-ND2 3.41Å; Y832-N911 HydrophobicContact CE1-CB 3.27Å; Y832-N911 VanDerWaalsContact CE1-N 3.29Å; Y832-N911 HydrophobicContact CG-CB 3.82Å; Y832-N911 VanDerWaalsContact CG-CG 3.47Å; Y832-N911 VanDerWaalsContact CZ-N 3.32Å; Y832-N911 PolarHBondContact O-ND2 2.94Å; Y832-N911 PolarHBondContact O-OD1 3.3Å; Y832-P912 HydrophobicContact CD2-CG 3.81Å; Y832-P912 VanDerWaalsContact CE2-CD 3.42Å; Y832-P912 HydrophobicContact CE2-CG 4.41Å; Y832-P912 HydrophobicContact CG-CG 4.38Å; Y832-Y913 VanDerWaalsContact CB-CD2 3.48Å
833	L	70.3	Confident	72.1	Confident	76 Å²	76	61.6 Å²	61.6	40%	0.398	31%	0.309	S	S	.	.	H	α-helix	trans	-64.3	-31.9	171.8	-176.8	64	0	0	0	113.3	D829 Q830 L831 A836 K837 Y913	D829-L833 PolarHBondContact O-N 2.93Å; Q830-L833 HydrophobicContact CG-CD2 4.39Å; Q830-L833 WeakPolarHBondContact O-CB 3.31Å; L831-L833 PolarHBondContact O-N 3.39Å; L833-A836 CarbonylContact O-C 3.58Å; L833-A836 WeakPolarHBondContact O-CB 3.39Å; L833-A836 PolarHBondContact O-N 3.42Å; L833-K837 VanDerWaalsContact O-CB 3.24Å; L833-K837 WeakPolarHBondContact O-CB 3.38Å; L833-K837 PolarHBondContact O-N 3.48Å; L833-Y913 HydrophobicContact CB-CD1 3.87Å; L833-Y913 HydrophobicContact CB-CD2 3.97Å; L833-Y913 HydrophobicContact CB-CE1 3.73Å; L833-Y913 HydrophobicContact CB-CE2 3.87Å; L833-Y913 HydrophobicContact CB-CG 3.85Å; L833-Y913 HydrophobicContact CD1-CD1 3.38Å; L833-Y913 HydrophobicContact CD1-CE1 3.61Å; L833-Y913 HydrophobicContact CD1-CG 3.97Å; L833-Y913 HydrophobicContact CD2-CE1 4.27Å; L833-Y913 HydrophobicContact CG-CD1 4.15Å; L833-Y913 HydrophobicContact CG-CE1 4.05Å
834	E	74.4	Confident	72.7	Confident	102 Å²	102	58.4 Å²	58.4	48%	0.477	30%	0.299	S	S	.	.	H	α-helix	trans	-76.1	-41.3	179.8	-168.6	177.5	177.7	0	0	112.3	L831 Y832 A836 K837 R838	L831-E834 PolarHBondContact O-N 2.86Å; Y832-E834 PolarHBondContact O-N 3.4Å; E834-A836 VanDerWaalsContact C-N 3.28Å; E834-A836 PolarHBondContact O-N 2.99Å; E834-K837 PolarHBondContact O-N 3.37Å; E834-K837 VanDerWaalsContact O-N 3.17Å; E834-R838 PolarHBondContact O-N 3.31Å
835	F	77.3	Confident	73.9	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-60.6	-42	168.7	175.2	-93.9	0	0	0	110	L831 K837 R838 A839 I889 I892 H893 I896 N911 T914 I916 P918 I921	L831-F835 PolarHBondContact O-N 3.37Å; F835-K837 PolarHBondContact O-N 3.26Å; F835-R838 PolarHBondContact O-N 3.26Å; F835-A839 HydrophobicContact CD1-CB 4.43Å; F835-A839 HydrophobicContact CE1-CB 4.31Å; F835-A839 WeakPolarHBondContact O-CB 3.27Å; F835-A839 PolarHBondContact O-N 3.33Å; F835-I889 HydrophobicContact CD2-CG2 3.99Å; F835-I889 WeakPolarHBondContact CD2-O 3.46Å; F835-I889 HydrophobicContact CE2-CG2 3.57Å; F835-I889 WeakPolarHBondContact CE2-O 3.46Å; F835-I889 HydrophobicContact CZ-CG2 4.06Å; F835-I892 HydrophobicContact CB-CB 3.91Å; F835-I892 HydrophobicContact CB-CG2 3.63Å; F835-I892 HydrophobicContact CD2-CB 3.96Å; F835-I892 HydrophobicContact CG-CB 4.41Å; F835-H893 HydrophobicContact CD2-CB 3.7Å; F835-H893 VanDerWaalsContact CD2-N 3.33Å; F835-H893 HydrophobicContact CE2-CB 3.49Å; F835-H893 VanDerWaalsContact CE2-CB 3.49Å; F835-H893 HydrophobicContact CG-CB 4.36Å; F835-H893 HydrophobicContact CZ-CB 3.96Å; F835-I896 HydrophobicContact CB-CD1 4.36Å; F835-N911 WeakPolarHBondContact CD1-ND2 3.01Å; F835-T914 HydrophobicContact CD1-CG2 3.2Å; F835-T914 HydrophobicContact CE1-CG2 3.4Å; F835-T914 VanDerWaalsContact CE1-CG2 3.4Å; F835-T914 HydrophobicContact CG-CG2 4.43Å; F835-I916 WeakPolarHBondContact CE1-O 3.41Å; F835-P918 HydrophobicContact CZ-CG 4.11Å; F835-I921 HydrophobicContact CZ-CD1 4.27Å
836	A	67.1	Low	75	Confident	5 Å²	5	54.4 Å²	54.4	4%	0.041	27%	0.272	C	S	.	.	H	α-helix	trans	-63	-37.4	172.2	0	0	0	0	0	113.6	Y832 L833 E834 R838 A839 A840 Y913 T914	Y832-A836 WeakPolarHBondContact O-CB 3.39Å; Y832-A836 PolarHBondContact O-N 3.19Å; L833-A836 CarbonylContact O-C 3.58Å; L833-A836 WeakPolarHBondContact O-CB 3.39Å; L833-A836 PolarHBondContact O-N 3.42Å; E834-A836 VanDerWaalsContact C-N 3.28Å; E834-A836 PolarHBondContact O-N 2.99Å; A836-R838 PolarHBondContact O-N 3.42Å; A836-A839 PolarHBondContact O-N 3.45Å; A836-A840 WeakPolarHBondContact O-CA 2.96Å; A836-A840 WeakPolarHBondContact O-CB 3.26Å; A836-A840 PolarHBondContact O-N 3.03Å; A836-Y913 HydrophobicContact CB-CG 4.41Å; A836-Y913 WeakPolarHBondContact CB-O 3.38Å; A836-T914 VanDerWaalsContact CB-CB 3.48Å; A836-T914 HydrophobicContact CB-CG2 3.64Å
837	K	79.9	Confident	75.7	Confident	160 Å²	160	54.4 Å²	54.4	70%	0.696	27%	0.272	S	S	*	.	H	α-helix	trans	-66	-26.1	-177.9	-171.8	178.1	179.5	-175.9	0	112.9	L833 E834 F835 P841	L833-K837 VanDerWaalsContact O-CB 3.24Å; L833-K837 WeakPolarHBondContact O-CB 3.38Å; L833-K837 PolarHBondContact O-N 3.48Å; E834-K837 PolarHBondContact O-N 3.37Å; E834-K837 VanDerWaalsContact O-N 3.17Å; F835-K837 PolarHBondContact O-N 3.26Å; K837-P841 WeakPolarHBondContact O-CD 3.44Å; K837-P841 WeakPolarHBondContact O-CG 3.41Å
838	R	81.6	Confident	76.8	Confident	88 Å²	88	50.5 Å²	50.5	33%	0.332	25%	0.253	S	S	.	.	H	α-helix	trans	-98.2	-37.8	174.7	-64.1	-177.6	64	-173.6	1.2	112.3	E834 F835 A836 P841 F842 E885 I889	E834-R838 PolarHBondContact O-N 3.31Å; F835-R838 PolarHBondContact O-N 3.26Å; A836-R838 PolarHBondContact O-N 3.42Å; R838-P841 WeakPolarHBondContact O-CD 3.36Å; R838-F842 WeakPolarHBondContact O-CB 3.04Å; R838-F842 PolarHBondContact O-N 2.98Å; R838-E885 IonicContact CZ-OE1 3.21Å; R838-E885 IonicContact NE-OE1 3.23Å; R838-E885 PolarHBondContact NE-OE1 3.3Å; R838-E885 IonicContact NH2-OE1 3.34Å; R838-E885 PolarHBondContact NH2-OE1 3.39Å; R838-E885 IonicContact NH2-OE2 2.85Å; R838-I889 HydrophobicContact CB-CG1 3.81Å; R838-I889 WeakPolarHBondContact O-CD1 3.1Å
839	A	77.9	Confident	77.6	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-65	-37.2	174.9	0	0	0	0	0	112.7	F835 A836 N843 I889 T914 I921	F835-A839 HydrophobicContact CD1-CB 4.43Å; F835-A839 HydrophobicContact CE1-CB 4.31Å; F835-A839 WeakPolarHBondContact O-CB 3.27Å; F835-A839 PolarHBondContact O-N 3.33Å; A836-A839 PolarHBondContact O-N 3.45Å; A839-N843 WeakPolarHBondContact O-CA 3.46Å; A839-N843 WeakPolarHBondContact O-CB 3.49Å; A839-N843 PolarHBondContact O-N 3.01Å; A839-I889 HydrophobicContact CB-CG2 3.59Å; A839-T914 HydrophobicContact CB-CG2 4.29Å; A839-I921 HydrophobicContact CB-CD1 4.06Å
840	A	74.7	Confident	78.7	Confident	33 Å²	33	49.8 Å²	49.8	27%	0.273	25%	0.249	S	C	.	.	H	α-helix	trans	-67.9	-53.1	-178.1	0	0	0	0	0	113	A836 F842 N843 N844	A836-A840 WeakPolarHBondContact O-CA 2.96Å; A836-A840 WeakPolarHBondContact O-CB 3.26Å; A836-A840 PolarHBondContact O-N 3.03Å; A840-F842 VanDerWaalsContact C-N 3.27Å; A840-F842 PolarHBondContact O-N 3.13Å; A840-N843 CarbonylContact O-C 3.59Å; A840-N843 PolarHBondContact O-N 3.34Å; A840-N844 VanDerWaalsContact O-CB 3.29Å; A840-N844 WeakPolarHBondContact O-CB 3.19Å; A840-N844 PolarHBondContact O-N 2.97Å; A840-N844 PolarHBondContact O-OD1 3.45Å; A840-N844 VanDerWaalsContact O-OD1 3.1Å
841	P	80.4	Confident	79.1	Confident	77 Å²	77	50.2 Å²	50.2	50%	0.5	25%	0.251	S	S	.	.	H	α-helix	trans	-65.1	-32.2	176.5	22.4	-30.5	0	0	0	112.3	K837 R838 W845	K837-P841 WeakPolarHBondContact O-CD 3.44Å; K837-P841 WeakPolarHBondContact O-CG 3.41Å; R838-P841 WeakPolarHBondContact O-CD 3.36Å; P841-W845 WeakPolarHBondContact O-CB 3.49Å; P841-W845 PolarHBondContact O-N 3.35Å
842	F	84.2	Confident	79.8	Confident	12 Å²	12	52.3 Å²	52.3	5%	0.053	26%	0.263	C	S	.	.	H	α-helix	trans	-71.8	-37.8	174.3	-173.2	-109.6	0	0	0	112.7	R838 A840 W845 M846 A882 E885 R886 I889 I921 W925	R838-F842 WeakPolarHBondContact O-CB 3.04Å; R838-F842 PolarHBondContact O-N 2.98Å; A840-F842 VanDerWaalsContact C-N 3.27Å; A840-F842 PolarHBondContact O-N 3.13Å; F842-W845 HydrophobicContact CE2-CE3 4.18Å; F842-W845 HydrophobicContact CE2-CZ3 4.48Å; F842-W845 PolarHBondContact O-N 3.01Å; F842-M846 HydrophobicContact CD1-CE 3.72Å; F842-M846 HydrophobicContact CD1-SD 4.33Å; F842-M846 HydrophobicContact CE1-CE 3.73Å; F842-M846 HydrophobicContact CE1-CG 4.37Å; F842-M846 HydrophobicContact CE1-SD 3.77Å; F842-M846 HydrophobicContact CZ-CG 4.49Å; F842-M846 HydrophobicContact CZ-SD 4.27Å; F842-M846 WeakPolarHBondContact O-CG 3.34Å; F842-M846 PolarHBondContact O-N 3.4Å; F842-A882 HydrophobicContact CE2-CB 3.97Å; F842-A882 WeakPolarHBondContact CE2-O 3.13Å; F842-A882 WeakPolarHBondContact CZ-O 3.26Å; F842-E885 HydrophobicContact CD2-CB 3.85Å; F842-E885 HydrophobicContact CD2-CG 3.79Å; F842-E885 HydrophobicContact CE2-CB 3.89Å; F842-E885 HydrophobicContact CE2-CG 4.35Å; F842-E885 HydrophobicContact CG-CG 4.26Å; F842-R886 HydrophobicContact CE1-CB 3.53Å; F842-R886 HydrophobicContact CE1-CG 3.84Å; F842-R886 HydrophobicContact CZ-CB 3.59Å; F842-R886 HydrophobicContact CZ-CG 4.32Å; F842-I889 HydrophobicContact CB-CD1 3.34Å; F842-I889 HydrophobicContact CD1-CD1 3.5Å; F842-I889 VanDerWaalsContact CD1-CD1 3.5Å; F842-I889 HydrophobicContact CD2-CD1 4.43Å; F842-I889 HydrophobicContact CE1-CD1 4.47Å; F842-I889 HydrophobicContact CG-CD1 3.49Å; F842-I889 VanDerWaalsContact CG-CD1 3.49Å; F842-I921 HydrophobicContact CD1-CG2 4.12Å; F842-I921 HydrophobicContact CE1-CG2 3.91Å; F842-W925 HydrophobicContact CE1-CE3 4.45Å; F842-W925 HydrophobicContact CE2-CZ3 4.48Å; F842-W925 AromaticContact CZ-CE3 3.87Å; F842-W925 HydrophobicContact CZ-CE3 3.87Å; F842-W925 AromaticContact CZ-CZ3 3.87Å; F842-W925 HydrophobicContact CZ-CZ3 3.87Å
843	N	83.2	Confident	80.4	Confident	5 Å²	5	52.8 Å²	52.8	3%	0.027	27%	0.265	C	S	.	.	H	α-helix	trans	-70.9	-35.4	172.9	178.2	88.3	0	0	0	112.2	A839 A840 W845 M846 E847 I916 K924	A839-N843 WeakPolarHBondContact O-CA 3.46Å; A839-N843 WeakPolarHBondContact O-CB 3.49Å; A839-N843 PolarHBondContact O-N 3.01Å; A840-N843 CarbonylContact O-C 3.59Å; A840-N843 PolarHBondContact O-N 3.34Å; N843-W845 VanDerWaalsContact C-N 3.33Å; N843-M846 HydrophobicContact CB-CE 4.27Å; N843-M846 CarbonylContact O-C 3.56Å; N843-M846 PolarHBondContact O-N 2.92Å; N843-E847 PolarHBondContact ND2-OE1 2.81Å; N843-E847 WeakPolarHBondContact O-CB 3.49Å; N843-E847 WeakPolarHBondContact O-CG 3.25Å; N843-E847 PolarHBondContact O-N 3.34Å; N843-I916 HydrophobicContact CB-CD1 3.19Å; N843-I916 HydrophobicContact CB-CG1 4.14Å; N843-K924 WeakPolarHBondContact OD1-CD 3.05Å; N843-K924 PolarHBondContact OD1-NZ 3.45Å
844	N	82.8	Confident	81	Confident	96 Å²	96	54.3 Å²	54.3	51%	0.513	27%	0.271	S	S	.	.	H	α-helix	trans	-69.5	-34.8	172.5	-68.5	4.5	0	0	0	110.5	A840 M846 E847 G848	A840-N844 VanDerWaalsContact O-CB 3.29Å; A840-N844 WeakPolarHBondContact O-CB 3.19Å; A840-N844 PolarHBondContact O-N 2.97Å; A840-N844 PolarHBondContact O-OD1 3.45Å; A840-N844 VanDerWaalsContact O-OD1 3.1Å; N844-M846 VanDerWaalsContact C-N 3.33Å; N844-E847 PolarHBondContact O-N 2.82Å; N844-G848 WeakPolarHBondContact O-CA 3.44Å; N844-G848 PolarHBondContact O-N 3.14Å
845	W	86.8	Confident	81.6	Confident	81 Å²	81	53.4 Å²	53.4	31%	0.307	27%	0.269	S	S	.	.	H	α-helix	trans	-64.7	-39.7	168.8	175.8	88.4	0	0	0	110.8	P841 F842 N843 A849 F875 L879 A882 W925	P841-W845 WeakPolarHBondContact O-CB 3.49Å; P841-W845 PolarHBondContact O-N 3.35Å; F842-W845 HydrophobicContact CE2-CE3 4.18Å; F842-W845 HydrophobicContact CE2-CZ3 4.48Å; F842-W845 PolarHBondContact O-N 3.01Å; N843-W845 VanDerWaalsContact C-N 3.33Å; W845-A849 WeakPolarHBondContact O-CB 3.39Å; W845-A849 PolarHBondContact O-N 3.02Å; W845-F875 HydrophobicContact CZ2-CE2 4.12Å; W845-F875 HydrophobicContact CZ2-CZ 4.41Å; W845-L879 HydrophobicContact CH2-CD2 3.87Å; W845-L879 HydrophobicContact CZ2-CD2 4.43Å; W845-A882 HydrophobicContact CD2-CB 4.37Å; W845-A882 HydrophobicContact CE3-CB 4.03Å; W845-A882 HydrophobicContact CH2-CB 3.17Å; W845-A882 HydrophobicContact CZ2-CB 3.54Å; W845-A882 HydrophobicContact CZ3-CB 3.47Å; W845-A882 VanDerWaalsContact CZ3-CB 3.47Å; W845-W925 HydrophobicContact CH2-CH2 4.34Å; W845-W925 AromaticContact CH2-CZ3 3.9Å; W845-W925 HydrophobicContact CH2-CZ3 3.9Å; W845-W925 HydrophobicContact CZ3-CE3 4.27Å; W845-W925 HydrophobicContact CZ3-CH2 4.4Å; W845-W925 AromaticContact CZ3-CZ3 3.53Å; W845-W925 HydrophobicContact CZ3-CZ3 3.53Å
846	M	85.6	Confident	81.6	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-70.5	-36	174.4	-72.3	-173.7	-64.3	0	0	112.8	F842 N843 N844 M850 I921 K924 W925 V928	F842-M846 HydrophobicContact CD1-CE 3.72Å; F842-M846 HydrophobicContact CD1-SD 4.33Å; F842-M846 HydrophobicContact CE1-CE 3.73Å; F842-M846 HydrophobicContact CE1-CG 4.37Å; F842-M846 HydrophobicContact CE1-SD 3.77Å; F842-M846 HydrophobicContact CZ-CG 4.49Å; F842-M846 HydrophobicContact CZ-SD 4.27Å; F842-M846 WeakPolarHBondContact O-CG 3.34Å; F842-M846 PolarHBondContact O-N 3.4Å; N843-M846 HydrophobicContact CB-CE 4.27Å; N843-M846 CarbonylContact O-C 3.56Å; N843-M846 PolarHBondContact O-N 2.92Å; N844-M846 VanDerWaalsContact C-N 3.33Å; M846-M850 WeakPolarHBondContact O-CB 3.44Å; M846-M850 WeakPolarHBondContact O-CG 3.48Å; M846-M850 PolarHBondContact O-N 3.02Å; M846-I921 HydrophobicContact CE-CG2 3.86Å; M846-K924 HydrophobicContact CE-CB 4.39Å; M846-K924 HydrophobicContact SD-CB 4.33Å; M846-W925 HydrophobicContact CG-CE3 4.3Å; M846-W925 HydrophobicContact SD-CB 3.96Å; M846-W925 HydrophobicContact SD-CE3 3.86Å; M846-V928 HydrophobicContact CB-CG2 4.01Å; M846-V928 HydrophobicContact CG-CG2 4.32Å; M846-V928 WeakPolarHBondContact O-CG2 3.47Å
847	E	81.8	Confident	82.3	Confident	79 Å²	79	61.2 Å²	61.2	37%	0.369	31%	0.313	S	S	.	.	H	α-helix	trans	-73.6	-42.1	176.7	-80.8	175.9	-171.3	0	0	111.1	N843 N844 A849 M850 E851 K924	N843-E847 PolarHBondContact ND2-OE1 2.81Å; N843-E847 WeakPolarHBondContact O-CB 3.49Å; N843-E847 WeakPolarHBondContact O-CG 3.25Å; N843-E847 PolarHBondContact O-N 3.34Å; N844-E847 PolarHBondContact O-N 2.82Å; E847-A849 VanDerWaalsContact C-N 3.34Å; E847-M850 HydrophobicContact CB-CE 4.42Å; E847-M850 HydrophobicContact CG-CE 3.78Å; E847-M850 CarbonylContact O-C 3.59Å; E847-M850 PolarHBondContact O-N 3.49Å; E847-M850 VanDerWaalsContact O-N 3.14Å; E847-E851 VanDerWaalsContact O-CB 3.23Å; E847-E851 WeakPolarHBondContact O-CB 3.39Å; E847-E851 PolarHBondContact O-N 3.36Å; E847-K924 IonicContact OE1-NZ 3.86Å; E847-K924 PolarHBondContact OE1-NZ 3.18Å
848	G	83.5	Confident	82.4	Confident	21 Å²	21	60.3 Å²	60.3	22%	0.216	31%	0.314	C	S	.	.	H	α-helix	trans	-62.5	-42.2	170.2	0	0	0	0	0	110.9	N844 M850 E851 D852	N844-G848 WeakPolarHBondContact O-CA 3.44Å; N844-G848 PolarHBondContact O-N 3.14Å; G848-M850 PolarHBondContact O-N 3Å; G848-E851 PolarHBondContact O-N 3.18Å; G848-D852 VanDerWaalsContact O-CB 3.23Å; G848-D852 WeakPolarHBondContact O-CB 3.48Å; G848-D852 PolarHBondContact O-N 3.46Å
849	A	82.9	Confident	82.5	Confident	3 Å²	3	56.5 Å²	56.5	3%	0.025	30%	0.301	C	S	.	.	H	α-helix	trans	-59.5	-46.1	169.1	0	0	0	0	0	111.8	W845 E847 E851 L853 F875 V928	W845-A849 WeakPolarHBondContact O-CB 3.39Å; W845-A849 PolarHBondContact O-N 3.02Å; E847-A849 VanDerWaalsContact C-N 3.34Å; A849-E851 VanDerWaalsContact C-N 3.34Å; A849-E851 PolarHBondContact O-N 3.26Å; A849-L853 WeakPolarHBondContact O-CB 3.37Å; A849-L853 WeakPolarHBondContact O-CD1 3.45Å; A849-L853 WeakPolarHBondContact O-CG 3.5Å; A849-L853 PolarHBondContact O-N 3.24Å; A849-F875 HydrophobicContact CB-CE2 3.73Å; A849-F875 HydrophobicContact CB-CZ 3.44Å; A849-F875 VanDerWaalsContact CB-CZ 3.44Å; A849-V928 HydrophobicContact CB-CG1 4.25Å; A849-V928 HydrophobicContact CB-CG2 4.42Å
850	M	85.1	Confident	82.6	Confident	16 Å²	16	62.4 Å²	62.4	8%	0.079	33%	0.328	C	S	.	.	H	α-helix	trans	-64.5	-38.9	176.8	-72.9	-175.2	-67.8	0	0	111.8	M846 E847 G848 L853 Q854 K924 K927 V928 L931	M846-M850 WeakPolarHBondContact O-CB 3.44Å; M846-M850 WeakPolarHBondContact O-CG 3.48Å; M846-M850 PolarHBondContact O-N 3.02Å; E847-M850 HydrophobicContact CB-CE 4.42Å; E847-M850 HydrophobicContact CG-CE 3.78Å; E847-M850 CarbonylContact O-C 3.59Å; E847-M850 PolarHBondContact O-N 3.49Å; E847-M850 VanDerWaalsContact O-N 3.14Å; G848-M850 PolarHBondContact O-N 3Å; M850-L853 CarbonylContact O-C 3.4Å; M850-L853 PolarHBondContact O-N 2.87Å; M850-Q854 WeakPolarHBondContact O-CB 3.49Å; M850-Q854 WeakPolarHBondContact O-CG 3.36Å; M850-Q854 PolarHBondContact O-N 2.86Å; M850-Q854 PolarHBondContact O-OE1 3.01Å; M850-K924 HydrophobicContact CE-CB 4.26Å; M850-K924 HydrophobicContact CE-CD 4.02Å; M850-K924 HydrophobicContact CE-CG 4.1Å; M850-K927 HydrophobicContact SD-CB 4.27Å; M850-K927 HydrophobicContact SD-CD 4.14Å; M850-K927 HydrophobicContact SD-CG 4.21Å; M850-V928 HydrophobicContact CG-CB 4.46Å; M850-V928 HydrophobicContact CG-CG2 3.43Å; M850-V928 VanDerWaalsContact CG-CG2 3.43Å; M850-V928 HydrophobicContact SD-CG2 4.14Å; M850-L931 HydrophobicContact CB-CD1 4Å; M850-L931 HydrophobicContact CG-CD1 3.67Å; M850-L931 HydrophobicContact SD-CD1 4.2Å
851	E	82.9	Confident	83	Confident	138 Å²	138	63.1 Å²	63.1	65%	0.645	33%	0.329	S	S	*	.	H	α-helix	trans	-67.9	-50.6	178.6	-172.3	173.8	-172.6	0	0	110.1	E847 G848 A849 L853 Q854 D855	E847-E851 VanDerWaalsContact O-CB 3.23Å; E847-E851 WeakPolarHBondContact O-CB 3.39Å; E847-E851 PolarHBondContact O-N 3.36Å; G848-E851 PolarHBondContact O-N 3.18Å; A849-E851 VanDerWaalsContact C-N 3.34Å; A849-E851 PolarHBondContact O-N 3.26Å; E851-L853 PolarHBondContact O-N 3.47Å; E851-Q854 CarbonylContact O-C 3.55Å; E851-Q854 PolarHBondContact O-N 3.2Å; E851-D855 VanDerWaalsContact O-CA 3.31Å; E851-D855 WeakPolarHBondContact O-CA 3.41Å; E851-D855 VanDerWaalsContact O-CB 3.29Å; E851-D855 WeakPolarHBondContact O-CB 3.32Å; E851-D855 PolarHBondContact O-N 3.25Å
852	D	82.9	Confident	83.2	Confident	106 Å²	106	61.3 Å²	61.3	57%	0.567	32%	0.315	S	S	*	.	H	α-helix	trans	-58.8	-37.4	174.4	-68.1	-19.7	0	0	0	111.6	G848 R935	G848-D852 VanDerWaalsContact O-CB 3.23Å; G848-D852 WeakPolarHBondContact O-CB 3.48Å; G848-D852 PolarHBondContact O-N 3.46Å; D852-R935 VanDerWaalsContact O-CZ 3.23Å; D852-R935 PolarHBondContact O-NH2 2.87Å; D852-R935 VanDerWaalsContact O-NH2 3.08Å
853	L	84.1	Confident	83.3	Confident	10 Å²	10	67.7 Å²	67.7	5%	0.052	35%	0.345	C	S	.	.	H	α-helix	trans	-73.8	-27.8	175.5	-68.4	168.4	0	0	0	112.6	A849 M850 E851 H872 F875 V928 L931 V932 R935	A849-L853 WeakPolarHBondContact O-CB 3.37Å; A849-L853 WeakPolarHBondContact O-CD1 3.45Å; A849-L853 WeakPolarHBondContact O-CG 3.5Å; A849-L853 PolarHBondContact O-N 3.24Å; M850-L853 CarbonylContact O-C 3.4Å; M850-L853 PolarHBondContact O-N 2.87Å; E851-L853 PolarHBondContact O-N 3.47Å; L853-H872 WeakPolarHBondContact CD2-CE1 3.27Å; L853-H872 WeakPolarHBondContact CD2-ND1 3.29Å; L853-F875 HydrophobicContact CD1-CE1 3.98Å; L853-F875 HydrophobicContact CD1-CZ 4.44Å; L853-F875 HydrophobicContact CD2-CD1 4.2Å; L853-F875 HydrophobicContact CD2-CE1 4.08Å; L853-F875 HydrophobicContact CG-CE1 4.22Å; L853-V928 HydrophobicContact CD1-CG1 4.19Å; L853-L931 HydrophobicContact CB-CB 4.32Å; L853-L931 HydrophobicContact CD1-CB 4.1Å; L853-V932 HydrophobicContact CD1-CG2 3.64Å; L853-V932 HydrophobicContact CD2-CG2 4.01Å; L853-R935 HydrophobicContact CB-CB 4.26Å; L853-R935 HydrophobicContact CB-CG 4.46Å; L853-R935 HydrophobicContact CD2-CB 3.71Å; L853-R935 HydrophobicContact CD2-CG 3.76Å; L853-R935 WeakPolarHBondContact O-CD 3.14Å; L853-R935 PolarHBondContact O-NH1 3.01Å
854	Q	82	Confident	83.4	Confident	109 Å²	109	71.7 Å²	71.7	51%	0.509	36%	0.363	S	S	.	.	H	α-helix	trans	-99.5	-4.5	179.8	-68.3	-179.2	-55	0	0	113.2	M850 E851 T856 L931	M850-Q854 WeakPolarHBondContact O-CB 3.49Å; M850-Q854 WeakPolarHBondContact O-CG 3.36Å; M850-Q854 PolarHBondContact O-N 2.86Å; M850-Q854 PolarHBondContact O-OE1 3.01Å; E851-Q854 CarbonylContact O-C 3.55Å; E851-Q854 PolarHBondContact O-N 3.2Å; Q854-T856 PolarHBondContact O-N 2.72Å; Q854-L931 HydrophobicContact CG-CD1 4.05Å; Q854-L931 HydrophobicContact CG-CD2 3.9Å
855	D	86.6	Confident	83.7	Confident	82 Å²	82	67.1 Å²	67.1	44%	0.439	34%	0.339	S	S	.	.			trans	-61.9	132	-173.2	176.5	36.3	0	0	0	110.3	E851 F857 R935	E851-D855 VanDerWaalsContact O-CA 3.31Å; E851-D855 WeakPolarHBondContact O-CA 3.41Å; E851-D855 VanDerWaalsContact O-CB 3.29Å; E851-D855 WeakPolarHBondContact O-CB 3.32Å; E851-D855 PolarHBondContact O-N 3.25Å; D855-F857 WeakPolarHBondContact O-CD1 3.36Å; D855-F857 PolarHBondContact O-N 3.43Å; D855-R935 PolarHBondContact O-NH1 3.37Å; D855-R935 PolarHBondContact O-NH2 2.93Å
856	T	77.1	Confident	83.7	Confident	129 Å²	129	67.7 Å²	67.7	79%	0.791	35%	0.345	S	S	*	.			trans	-83.8	103.8	178.5	49.1	0	0	0	0	109.2	Q854	Q854-T856 PolarHBondContact O-N 2.72Å
857	F	82.8	Confident	83.7	Confident	40 Å²	40	69.7 Å²	69.7	18%	0.175	37%	0.365	C	S	.	.			trans	-92.1	141.8	176.8	53.4	-82.2	0	0	0	111	D855 V859 I865 L868 R935 L939 E942	D855-F857 WeakPolarHBondContact O-CD1 3.36Å; D855-F857 PolarHBondContact O-N 3.43Å; F857-V859 HydrophobicContact CD2-CG1 4.1Å; F857-V859 HydrophobicContact CD2-CG2 4.34Å; F857-I865 HydrophobicContact CD2-CD1 4.17Å; F857-I865 HydrophobicContact CE2-CD1 3.48Å; F857-I865 VanDerWaalsContact CE2-CD1 3.48Å; F857-I865 HydrophobicContact CZ-CD1 4.24Å; F857-L868 HydrophobicContact CB-CD1 3.85Å; F857-L868 HydrophobicContact CD2-CD1 3.62Å; F857-L868 HydrophobicContact CE2-CD1 4.32Å; F857-L868 HydrophobicContact CG-CD1 3.79Å; F857-R935 VanDerWaalsContact CD1-NH2 3.25Å; F857-R935 VanDerWaalsContact CE1-CZ 3.43Å; F857-L939 HydrophobicContact CE1-CD2 3.97Å; F857-L939 HydrophobicContact CE2-CD2 3.95Å; F857-L939 HydrophobicContact CZ-CD2 3.55Å; F857-L939 HydrophobicContact CZ-CG 4.19Å; F857-E942 HydrophobicContact CD2-CG 4.31Å; F857-E942 HydrophobicContact CE2-CB 3.67Å; F857-E942 HydrophobicContact CE2-CG 3.62Å; F857-E942 HydrophobicContact CZ-CB 4.11Å
858	I	81.8	Confident	84	Confident	141 Å²	141	68.8 Å²	68.8	72%	0.723	36%	0.363	S	S	*	.			trans	-110.6	122.9	168.1	-57.3	175.1	0	0	0	106.7	H860	I858-H860 VanDerWaalsContact CG2-CE1 3.49Å; I858-H860 WeakPolarHBondContact CG2-CE1 3.34Å
859	V	83.9	Confident	84.2	Confident	8 Å²	8	69.4 Å²	69.4	5%	0.048	36%	0.364	C	S	.	.			trans	-123	140.6	177.3	-71.1	0	0	0	0	109.1	F857 E864 I865 L868 E942 Q946	F857-V859 HydrophobicContact CD2-CG1 4.1Å; F857-V859 HydrophobicContact CD2-CG2 4.34Å; V859-E864 HydrophobicContact CB-CB 4.19Å; V859-E864 HydrophobicContact CG1-CB 3.86Å; V859-I865 HydrophobicContact CG1-CB 4.43Å; V859-I865 HydrophobicContact CG2-CB 4.2Å; V859-I865 HydrophobicContact CG2-CD1 4.44Å; V859-L868 HydrophobicContact CG1-CD1 3.68Å; V859-E942 HydrophobicContact CG2-CG 3.35Å; V859-E942 WeakPolarHBondContact CG2-OE1 3.02Å; V859-Q946 HydrophobicContact CG2-CG 3.81Å; V859-Q946 PolarHBondContact O-NE2 2.98Å
860	H	80.6	Confident	84.5	Confident	124 Å²	124	73 Å²	73	57%	0.574	39%	0.386	S	S	*	.	S	Bend	trans	-113.8	-11.2	179.9	-61	-58.3	0	0	0	112	I858 E864	I858-H860 VanDerWaalsContact CG2-CE1 3.49Å; I858-H860 WeakPolarHBondContact CG2-CE1 3.34Å; H860-E864 PolarHBondContact N-OE2 3.22Å
861	T	82.3	Confident	84.5	Confident	48 Å²	48	74.8 Å²	74.8	29%	0.294	40%	0.402	S	S	.	.	S	Bend	trans	-133.1	157	-179.2	72.6	0	0	0	0	113.2	E863 E864	T861-E863 VanDerWaalsContact C-N 3.28Å; T861-E863 PolarHBondContact O-N 3.12Å; T861-E864 PolarHBondContact N-OE2 3.5Å; T861-E864 VanDerWaalsContact OG1-CG 3.23Å; T861-E864 WeakPolarHBondContact OG1-CG 3.4Å; T861-E864 PolarHBondContact OG1-N 2.86Å; T861-E864 PolarHBondContact OG1-OE1 3.43Å
862	I	84.9	Confident	84.9	Confident	40 Å²	40	68.9 Å²	68.9	21%	0.205	38%	0.375	C	S	.	.	H	α-helix	trans	-64.6	-33.5	174.2	-70.8	176.4	0	0	0	111.6	I865 Q866 Q946 E950	I862-I865 WeakPolarHBondContact O-CG2 3.25Å; I862-I865 PolarHBondContact O-N 3.18Å; I862-Q866 HydrophobicContact CG2-CG 4.25Å; I862-Q866 WeakPolarHBondContact O-CB 3.47Å; I862-Q866 VanDerWaalsContact O-CG 3.3Å; I862-Q866 WeakPolarHBondContact O-CG 3.27Å; I862-Q866 PolarHBondContact O-N 2.68Å; I862-Q946 HydrophobicContact CG1-CB 3.99Å; I862-E950 HydrophobicContact CD1-CB 3.39Å; I862-E950 HydrophobicContact CD1-CG 3.64Å; I862-E950 HydrophobicContact CG1-CB 4.3Å
863	E	84.9	Confident	85	Confident	146 Å²	146	69 Å²	69	68%	0.682	37%	0.372	S	S	*	.	H	α-helix	trans	-68.5	-38.3	-177.6	-67.9	173.1	-161.5	0	0	111.3	T861 Q866 G867	T861-E863 VanDerWaalsContact C-N 3.28Å; T861-E863 PolarHBondContact O-N 3.12Å; E863-Q866 PolarHBondContact O-N 2.97Å; E863-G867 PolarHBondContact O-N 3.11Å
864	E	85.6	Confident	85.2	Confident	88 Å²	88	74.9 Å²	74.9	41%	0.411	40%	0.399	S	S	.	.	H	α-helix	trans	-62.1	-46.3	175.5	-73.6	160.7	-167.3	0	0	112	V859 H860 T861 Q866 G867 L868	V859-E864 HydrophobicContact CB-CB 4.19Å; V859-E864 HydrophobicContact CG1-CB 3.86Å; H860-E864 PolarHBondContact N-OE2 3.22Å; T861-E864 PolarHBondContact N-OE2 3.5Å; T861-E864 VanDerWaalsContact OG1-CG 3.23Å; T861-E864 WeakPolarHBondContact OG1-CG 3.4Å; T861-E864 PolarHBondContact OG1-N 2.86Å; T861-E864 PolarHBondContact OG1-OE1 3.43Å; E864-Q866 PolarHBondContact O-N 3.46Å; E864-G867 PolarHBondContact O-N 3.27Å; E864-L868 PolarHBondContact O-N 2.89Å
865	I	89.2	Confident	85.6	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-71	-30.5	179.6	-170.6	56.9	0	0	0	112.8	F857 V859 I862 L868 S869 L939 E942 H943 Q946	F857-I865 HydrophobicContact CD2-CD1 4.17Å; F857-I865 HydrophobicContact CE2-CD1 3.48Å; F857-I865 VanDerWaalsContact CE2-CD1 3.48Å; F857-I865 HydrophobicContact CZ-CD1 4.24Å; V859-I865 HydrophobicContact CG1-CB 4.43Å; V859-I865 HydrophobicContact CG2-CB 4.2Å; V859-I865 HydrophobicContact CG2-CD1 4.44Å; I862-I865 WeakPolarHBondContact O-CG2 3.25Å; I862-I865 PolarHBondContact O-N 3.18Å; I865-L868 HydrophobicContact CD1-CB 4.44Å; I865-L868 HydrophobicContact CD1-CD1 4.35Å; I865-L868 PolarHBondContact O-N 3.38Å; I865-S869 WeakPolarHBondContact O-CB 3.08Å; I865-S869 PolarHBondContact O-N 2.93Å; I865-S869 PolarHBondContact O-OG 2.76Å; I865-L939 HydrophobicContact CD1-CD2 3.63Å; I865-E942 HydrophobicContact CD1-CB 4.04Å; I865-E942 HydrophobicContact CD1-CG 4.08Å; I865-E942 HydrophobicContact CG1-CB 4.41Å; I865-E942 HydrophobicContact CG1-CG 4.4Å; I865-H943 HydrophobicContact CG1-CB 3.9Å; I865-H943 HydrophobicContact CG2-CB 4.42Å; I865-Q946 HydrophobicContact CG2-CB 4.14Å; I865-Q946 HydrophobicContact CG2-CG 4.19Å
866	Q	86.5	Confident	85.6	Confident	94 Å²	94	69.7 Å²	69.7	44%	0.439	37%	0.371	S	S	.	.	H	α-helix	trans	-67.3	-37.1	170.5	-76.2	177.8	-6.5	0	0	112	I862 E863 E864 S869 T870	I862-Q866 HydrophobicContact CG2-CG 4.25Å; I862-Q866 WeakPolarHBondContact O-CB 3.47Å; I862-Q866 VanDerWaalsContact O-CG 3.3Å; I862-Q866 WeakPolarHBondContact O-CG 3.27Å; I862-Q866 PolarHBondContact O-N 2.68Å; E863-Q866 PolarHBondContact O-N 2.97Å; E864-Q866 PolarHBondContact O-N 3.46Å; Q866-S869 PolarHBondContact O-N 3.21Å; Q866-T870 WeakPolarHBondContact O-CB 3.39Å; Q866-T870 PolarHBondContact O-N 3.43Å; Q866-T870 PolarHBondContact O-OG1 2.69Å
867	G	87.1	Confident	86.1	Confident	41 Å²	41	67.1 Å²	67.1	42%	0.423	36%	0.363	S	S	.	.	H	α-helix	trans	-60.5	-48.7	171.9	0	0	0	0	0	112.1	E863 E864 S869 T870 A871	E863-G867 PolarHBondContact O-N 3.11Å; E864-G867 PolarHBondContact O-N 3.27Å; G867-S869 PolarHBondContact O-N 2.85Å; G867-T870 PolarHBondContact O-N 3.43Å; G867-A871 PolarHBondContact O-N 3.36Å
868	L	87.7	Confident	86.3	Confident	61 Å²	61	68 Å²	68	32%	0.319	37%	0.372	S	S	.	.	H	α-helix	trans	-62.7	-40	176.5	-69.9	173.8	0	0	0	112.5	F857 V859 E864 I865 T870 A871 H872 L939	F857-L868 HydrophobicContact CB-CD1 3.85Å; F857-L868 HydrophobicContact CD2-CD1 3.62Å; F857-L868 HydrophobicContact CE2-CD1 4.32Å; F857-L868 HydrophobicContact CG-CD1 3.79Å; V859-L868 HydrophobicContact CG1-CD1 3.68Å; E864-L868 PolarHBondContact O-N 2.89Å; I865-L868 HydrophobicContact CD1-CB 4.44Å; I865-L868 HydrophobicContact CD1-CD1 4.35Å; I865-L868 PolarHBondContact O-N 3.38Å; L868-T870 VanDerWaalsContact C-N 3.33Å; L868-T870 PolarHBondContact O-N 3.02Å; L868-A871 PolarHBondContact O-N 3.41Å; L868-H872 WeakPolarHBondContact O-CB 3.25Å; L868-H872 PolarHBondContact O-N 2.79Å; L868-L939 HydrophobicContact CB-CD2 3.84Å
869	S	87.1	Confident	86.5	Confident	34 Å²	34	62.8 Å²	62.8	24%	0.238	35%	0.345	C	S	.	.	H	α-helix	trans	-62.6	-41	175.6	-59.1	0	0	0	0	111.8	I865 Q866 G867 H872 E873	I865-S869 WeakPolarHBondContact O-CB 3.08Å; I865-S869 PolarHBondContact O-N 2.93Å; I865-S869 PolarHBondContact O-OG 2.76Å; Q866-S869 PolarHBondContact O-N 3.21Å; G867-S869 PolarHBondContact O-N 2.85Å; S869-H872 PolarHBondContact O-N 2.86Å; S869-E873 WeakPolarHBondContact O-CG 3.41Å; S869-E873 PolarHBondContact O-N 3.39Å
870	T	88.6	Confident	86.7	Confident	79 Å²	79	67 Å²	67	49%	0.485	37%	0.373	S	S	.	.	H	α-helix	trans	-67.4	-41.6	177.3	-55.5	0	0	0	0	111.8	Q866 G867 L868 H872 E873 Q874	Q866-T870 WeakPolarHBondContact O-CB 3.39Å; Q866-T870 PolarHBondContact O-N 3.43Å; Q866-T870 PolarHBondContact O-OG1 2.69Å; G867-T870 PolarHBondContact O-N 3.43Å; L868-T870 VanDerWaalsContact C-N 3.33Å; L868-T870 PolarHBondContact O-N 3.02Å; T870-H872 VanDerWaalsContact C-N 3.31Å; T870-H872 PolarHBondContact O-N 3.43Å; T870-E873 PolarHBondContact O-N 3.43Å; T870-Q874 WeakPolarHBondContact O-CG 3.42Å; T870-Q874 PolarHBondContact O-N 3.02Å
871	A	86.4	Confident	86.8	Confident	52 Å²	52	68.8 Å²	68.8	43%	0.43	38%	0.382	S	S	.	.	H	α-helix	trans	-62.4	-39.9	176	0	0	0	0	0	111.5	G867 L868 Q874 F875	G867-A871 PolarHBondContact O-N 3.36Å; L868-A871 PolarHBondContact O-N 3.41Å; A871-Q874 PolarHBondContact O-N 3.44Å; A871-F875 PolarHBondContact O-N 3Å
872	H	90.1	Very high	86.9	Confident	14 Å²	14	67 Å²	67	7%	0.065	37%	0.372	C	S	.	.	H	α-helix	trans	-65.9	-38.7	176	-175.4	54.8	0	0	0	112.7	L853 L868 S869 T870 Q874 F875 K876 V932 D936 L939	L853-H872 WeakPolarHBondContact CD2-CE1 3.27Å; L853-H872 WeakPolarHBondContact CD2-ND1 3.29Å; L868-H872 WeakPolarHBondContact O-CB 3.25Å; L868-H872 PolarHBondContact O-N 2.79Å; S869-H872 PolarHBondContact O-N 2.86Å; T870-H872 VanDerWaalsContact C-N 3.31Å; T870-H872 PolarHBondContact O-N 3.43Å; H872-Q874 VanDerWaalsContact C-N 3.34Å; H872-Q874 PolarHBondContact O-N 3.04Å; H872-F875 PolarHBondContact O-N 3.28Å; H872-K876 WeakPolarHBondContact O-CG 3.22Å; H872-K876 PolarHBondContact O-N 2.91Å; H872-V932 PolarHBondContact NE2-O 2.95Å; H872-D936 IonicContact CD2-OD1 3.34Å; H872-D936 PolarHBondContact CD2-OD1 3.32Å; H872-D936 IonicContact NE2-OD1 2.85Å; H872-D936 PolarHBondContact NE2-OD1 3.1Å; H872-D936 IonicContact NE2-OD2 2.79Å; H872-L939 HydrophobicContact CB-CD1 3.6Å
873	E	86.4	Confident	86.9	Confident	110 Å²	110	67.7 Å²	67.7	51%	0.514	38%	0.376	S	S	.	.	H	α-helix	trans	-61.5	-40.2	171.1	-72.6	-62.3	158.3	0	0	112.7	S869 T870 K876 A877	S869-E873 WeakPolarHBondContact O-CG 3.41Å; S869-E873 PolarHBondContact O-N 3.39Å; T870-E873 PolarHBondContact O-N 3.43Å; E873-K876 PolarHBondContact O-N 3.08Å; E873-K876 WeakPolarHBondContact OE1-CE 3.49Å; E873-K876 IonicContact OE1-NZ 3.63Å; E873-K876 PolarHBondContact OE1-NZ 3.39Å; E873-K876 WeakPolarHBondContact OE2-CE 3.49Å; E873-K876 IonicContact OE2-NZ 3.22Å; E873-K876 PolarHBondContact OE2-NZ 3.27Å; E873-A877 PolarHBondContact O-N 2.99Å
874	Q	86.8	Confident	86.9	Confident	133 Å²	133	68.8 Å²	68.8	62%	0.621	38%	0.378	S	S	*	.	H	α-helix	trans	-66.7	-39.3	175.5	-69.5	175.2	3.8	0	0	111.9	T870 A871 H872 A877	T870-Q874 WeakPolarHBondContact O-CG 3.42Å; T870-Q874 PolarHBondContact O-N 3.02Å; A871-Q874 PolarHBondContact O-N 3.44Å; H872-Q874 VanDerWaalsContact C-N 3.34Å; H872-Q874 PolarHBondContact O-N 3.04Å; Q874-A877 WeakPolarHBondContact O-CB 3.07Å; Q874-A877 PolarHBondContact O-N 3.04Å
875	F	90.2	Very high	86.8	Confident	38 Å²	38	68.2 Å²	68.2	17%	0.167	38%	0.375	C	S	.	.	H	α-helix	trans	-59.9	-46	173.4	171.6	-98.3	0	0	0	111.5	W845 A849 L853 A871 H872 A877 T878 L879 V932	W845-F875 HydrophobicContact CZ2-CE2 4.12Å; W845-F875 HydrophobicContact CZ2-CZ 4.41Å; A849-F875 HydrophobicContact CB-CE2 3.73Å; A849-F875 HydrophobicContact CB-CZ 3.44Å; A849-F875 VanDerWaalsContact CB-CZ 3.44Å; L853-F875 HydrophobicContact CD1-CE1 3.98Å; L853-F875 HydrophobicContact CD1-CZ 4.44Å; L853-F875 HydrophobicContact CD2-CD1 4.2Å; L853-F875 HydrophobicContact CD2-CE1 4.08Å; L853-F875 HydrophobicContact CG-CE1 4.22Å; A871-F875 PolarHBondContact O-N 3Å; H872-F875 PolarHBondContact O-N 3.28Å; F875-A877 PolarHBondContact O-N 3.26Å; F875-A877 VanDerWaalsContact O-N 3.16Å; F875-T878 WeakPolarHBondContact O-CB 3.38Å; F875-T878 PolarHBondContact O-N 3.39Å; F875-T878 PolarHBondContact O-OG1 3.36Å; F875-L879 HydrophobicContact CE1-CD2 3.85Å; F875-L879 HydrophobicContact CE1-CG 4.45Å; F875-L879 HydrophobicContact CZ-CD2 3.76Å; F875-V932 HydrophobicContact CE1-CG2 3.97Å
876	K	87.5	Confident	86.6	Confident	44 Å²	44	69.5 Å²	69.5	19%	0.191	38%	0.38	C	S	.	.	H	α-helix	trans	-56.2	-33	177.4	-74.1	-173	-62.5	-164.9	0	113.1	H872 E873 T878 L879 V932 D936	H872-K876 WeakPolarHBondContact O-CG 3.22Å; H872-K876 PolarHBondContact O-N 2.91Å; E873-K876 PolarHBondContact O-N 3.08Å; E873-K876 WeakPolarHBondContact OE1-CE 3.49Å; E873-K876 IonicContact OE1-NZ 3.63Å; E873-K876 PolarHBondContact OE1-NZ 3.39Å; E873-K876 WeakPolarHBondContact OE2-CE 3.49Å; E873-K876 IonicContact OE2-NZ 3.22Å; E873-K876 PolarHBondContact OE2-NZ 3.27Å; K876-T878 PolarHBondContact O-N 3.09Å; K876-L879 PolarHBondContact O-N 2.92Å; K876-V932 HydrophobicContact CD-CG1 3.51Å; K876-V932 HydrophobicContact CG-CG1 3.61Å; K876-D936 IonicContact NZ-OD1 3.75Å; K876-D936 PolarHBondContact NZ-OD1 3.47Å; K876-D936 IonicContact NZ-OD2 3.45Å; K876-D936 PolarHBondContact NZ-OD2 2.9Å
877	A	87.9	Confident	86.5	Confident	75 Å²	75	70.3 Å²	70.3	62%	0.62	38%	0.384	S	S	*	.	H	α-helix	trans	-66.7	-19.9	177.2	0	0	0	0	0	114	E873 Q874 F875 P880	E873-A877 PolarHBondContact O-N 2.99Å; Q874-A877 WeakPolarHBondContact O-CB 3.07Å; Q874-A877 PolarHBondContact O-N 3.04Å; F875-A877 PolarHBondContact O-N 3.26Å; F875-A877 VanDerWaalsContact O-N 3.16Å; A877-P880 WeakPolarHBondContact O-CD 3.44Å
878	T	87	Confident	86.2	Confident	58 Å²	58	70.1 Å²	70.1	36%	0.356	38%	0.379	S	S	.	.	H	α-helix	trans	-87.1	-17	-179.9	69.9	0	0	0	0	114.1	F875 K876 P880 E881 A882	F875-T878 WeakPolarHBondContact O-CB 3.38Å; F875-T878 PolarHBondContact O-N 3.39Å; F875-T878 PolarHBondContact O-OG1 3.36Å; K876-T878 PolarHBondContact O-N 3.09Å; T878-P880 VanDerWaalsContact C-CD 3.45Å; T878-E881 PolarHBondContact O-N 2.87Å; T878-A882 PolarHBondContact O-N 2.9Å
879	L	86.3	Confident	85.8	Confident	31 Å²	31	67.2 Å²	67.2	16%	0.162	36%	0.364	C	S	.	.	H	α-helix	trans	-57.2	-39.7	-176.4	-61.9	175	0	0	0	114.2	W845 F875 K876 E881 A882 D883 W925 V928 V932	W845-L879 HydrophobicContact CH2-CD2 3.87Å; W845-L879 HydrophobicContact CZ2-CD2 4.43Å; F875-L879 HydrophobicContact CE1-CD2 3.85Å; F875-L879 HydrophobicContact CE1-CG 4.45Å; F875-L879 HydrophobicContact CZ-CD2 3.76Å; K876-L879 PolarHBondContact O-N 2.92Å; L879-E881 VanDerWaalsContact C-N 3.29Å; L879-E881 PolarHBondContact O-N 3.27Å; L879-A882 PolarHBondContact O-N 3.41Å; L879-D883 PolarHBondContact O-N 3.42Å; L879-W925 WeakPolarHBondContact O-CH2 3.14Å; L879-V928 HydrophobicContact CD2-CG1 4.23Å; L879-V932 HydrophobicContact CD1-CG2 4.02Å
880	P	87.1	Confident	85.4	Confident	98 Å²	98	67 Å²	67	64%	0.636	36%	0.36	S	S	*	.	H	α-helix	trans	-62.5	-32.7	179.6	-24	35.6	0	0	0	114.1	A877 T878	A877-P880 WeakPolarHBondContact O-CD 3.44Å; T878-P880 VanDerWaalsContact C-CD 3.45Å
881	E	83.9	Confident	84.9	Confident	161 Å²	161	65.5 Å²	65.5	75%	0.752	36%	0.36	S	S	*	.	H	α-helix	trans	-76.2	-35.5	179.1	-66.3	-166.3	154.4	0	0	112	T878 L879 D883 K884	T878-E881 PolarHBondContact O-N 2.87Å; L879-E881 VanDerWaalsContact C-N 3.29Å; L879-E881 PolarHBondContact O-N 3.27Å; E881-D883 VanDerWaalsContact C-N 3.35Å; E881-D883 PolarHBondContact O-N 3.02Å; E881-K884 VanDerWaalsContact O-CB 3.31Å; E881-K884 WeakPolarHBondContact O-CB 3.5Å; E881-K884 PolarHBondContact O-N 2.74Å
882	A	84	Confident	84.4	Confident	11 Å²	11	64.5 Å²	64.5	9%	0.091	35%	0.347	C	S	.	.	H	α-helix	trans	-66.8	-33.8	176.9	0	0	0	0	0	112.5	F842 W845 T878 L879 K884 E885 R886 W925	F842-A882 HydrophobicContact CE2-CB 3.97Å; F842-A882 WeakPolarHBondContact CE2-O 3.13Å; F842-A882 WeakPolarHBondContact CZ-O 3.26Å; W845-A882 HydrophobicContact CD2-CB 4.37Å; W845-A882 HydrophobicContact CE3-CB 4.03Å; W845-A882 HydrophobicContact CH2-CB 3.17Å; W845-A882 HydrophobicContact CZ2-CB 3.54Å; W845-A882 HydrophobicContact CZ3-CB 3.47Å; W845-A882 VanDerWaalsContact CZ3-CB 3.47Å; T878-A882 PolarHBondContact O-N 2.9Å; L879-A882 PolarHBondContact O-N 3.41Å; A882-K884 PolarHBondContact O-N 2.83Å; A882-K884 VanDerWaalsContact O-N 3.14Å; A882-E885 PolarHBondContact O-N 3.32Å; A882-E885 VanDerWaalsContact O-N 3.15Å; A882-R886 PolarHBondContact O-N 3.02Å; A882-W925 HydrophobicContact CB-CH2 3.7Å; A882-W925 HydrophobicContact CB-CZ3 3.62Å
883	D	85.2	Confident	83.5	Confident	54 Å²	54	65.9 Å²	65.9	29%	0.289	35%	0.353	S	S	.	.	H	α-helix	trans	-61.1	-27	174.9	-164.1	37.8	0	0	0	112.5	L879 E881 R886 W925	L879-D883 PolarHBondContact O-N 3.42Å; E881-D883 VanDerWaalsContact C-N 3.35Å; E881-D883 PolarHBondContact O-N 3.02Å; D883-R886 WeakPolarHBondContact O-CB 3.5Å; D883-R886 IonicContact OD1-CZ 3.99Å; D883-R886 IonicContact OD1-NE 3.24Å; D883-R886 PolarHBondContact OD1-NE 2.84Å; D883-R886 IonicContact OD1-NH2 3.99Å; D883-R886 PolarHBondContact OD1-NH2 3.21Å; D883-R886 IonicContact OD2-NH2 2.64Å; D883-W925 HydrophobicContact CB-CH2 3.9Å; D883-W925 HydrophobicContact CB-CZ2 3.44Å; D883-W925 VanDerWaalsContact CB-CZ2 3.44Å; D883-W925 PolarHBondContact OD1-NE1 3.03Å
884	K	84.1	Confident	83	Confident	169 Å²	169	66.5 Å²	66.5	74%	0.735	36%	0.36	S	S	*	.	H	α-helix	trans	-71.8	-39	177.5	-168.1	-179.9	176.3	-177.2	0	112.4	E881 A882 R886 Q887	E881-K884 VanDerWaalsContact O-CB 3.31Å; E881-K884 WeakPolarHBondContact O-CB 3.5Å; E881-K884 PolarHBondContact O-N 2.74Å; A882-K884 PolarHBondContact O-N 2.83Å; A882-K884 VanDerWaalsContact O-N 3.14Å; K884-R886 VanDerWaalsContact C-N 3.33Å; K884-Q887 PolarHBondContact O-N 3.2Å
885	E	84.1	Confident	82.4	Confident	75 Å²	75	65 Å²	65	35%	0.35	35%	0.353	S	S	.	.	H	α-helix	trans	-69.1	-34.6	176.7	-173.7	58.9	-154.5	0	0	111.2	R838 F842 A882 Q887 A888 I889	R838-E885 IonicContact CZ-OE1 3.21Å; R838-E885 IonicContact NE-OE1 3.23Å; R838-E885 PolarHBondContact NE-OE1 3.3Å; R838-E885 IonicContact NH2-OE1 3.34Å; R838-E885 PolarHBondContact NH2-OE1 3.39Å; R838-E885 IonicContact NH2-OE2 2.85Å; F842-E885 HydrophobicContact CD2-CB 3.85Å; F842-E885 HydrophobicContact CD2-CG 3.79Å; F842-E885 HydrophobicContact CE2-CB 3.89Å; F842-E885 HydrophobicContact CE2-CG 4.35Å; F842-E885 HydrophobicContact CG-CG 4.26Å; A882-E885 PolarHBondContact O-N 3.32Å; A882-E885 VanDerWaalsContact O-N 3.15Å; E885-Q887 VanDerWaalsContact C-N 3.3Å; E885-Q887 PolarHBondContact O-N 3.41Å; E885-A888 PolarHBondContact O-N 3.05Å; E885-A888 VanDerWaalsContact O-N 3.13Å; E885-I889 HydrophobicContact CG-CD1 4.18Å; E885-I889 PolarHBondContact O-N 3.44Å
886	R	85.5	Confident	81.3	Confident	28 Å²	28	63.3 Å²	63.3	11%	0.106	35%	0.345	C	S	.	.	H	α-helix	trans	-50.3	-49.9	172.4	-169.5	175.2	61.5	77.6	3.1	112.4	F842 A882 D883 K884 A888 I889 L890 I921 N922	F842-R886 HydrophobicContact CE1-CB 3.53Å; F842-R886 HydrophobicContact CE1-CG 3.84Å; F842-R886 HydrophobicContact CZ-CB 3.59Å; F842-R886 HydrophobicContact CZ-CG 4.32Å; A882-R886 PolarHBondContact O-N 3.02Å; D883-R886 WeakPolarHBondContact O-CB 3.5Å; D883-R886 IonicContact OD1-CZ 3.99Å; D883-R886 IonicContact OD1-NE 3.24Å; D883-R886 PolarHBondContact OD1-NE 2.84Å; D883-R886 IonicContact OD1-NH2 3.99Å; D883-R886 PolarHBondContact OD1-NH2 3.21Å; D883-R886 IonicContact OD2-NH2 2.64Å; K884-R886 VanDerWaalsContact C-N 3.33Å; R886-A888 VanDerWaalsContact C-N 3.27Å; R886-A888 PolarHBondContact O-N 3.1Å; R886-I889 PolarHBondContact O-N 2.7Å; R886-L890 WeakPolarHBondContact O-CG 3.37Å; R886-L890 PolarHBondContact O-N 3.23Å; R886-I921 HydrophobicContact CG-CG2 3.53Å; R886-N922 PolarHBondContact NH1-OD1 3.46Å
887	Q	82.9	Confident	80.3	Confident	110 Å²	110	64 Å²	64	51%	0.514	36%	0.36	S	S	.	.	H	α-helix	trans	-62.8	-32.7	-176.8	-66.9	-71.4	-7.4	0	0	112.7	K884 E885	K884-Q887 PolarHBondContact O-N 3.2Å; E885-Q887 VanDerWaalsContact C-N 3.3Å; E885-Q887 PolarHBondContact O-N 3.41Å
888	A	81	Confident	79.6	Confident	38 Å²	38	67 Å²	67	31%	0.314	36%	0.359	S	S	.	.	H	α-helix	trans	-76.4	-32.3	-178.8	0	0	0	0	0	113.3	E885 R886 G891	E885-A888 PolarHBondContact O-N 3.05Å; E885-A888 VanDerWaalsContact O-N 3.13Å; R886-A888 VanDerWaalsContact C-N 3.27Å; R886-A888 PolarHBondContact O-N 3.1Å; A888-G891 PolarHBondContact O-N 2.76Å
889	I	80	Confident	78.5	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-65.1	-43.4	176.2	-69.3	155.2	0	0	0	110.8	F835 R838 A839 F842 E885 R886 G891 I892 I921	F835-I889 HydrophobicContact CD2-CG2 3.99Å; F835-I889 WeakPolarHBondContact CD2-O 3.46Å; F835-I889 HydrophobicContact CE2-CG2 3.57Å; F835-I889 WeakPolarHBondContact CE2-O 3.46Å; F835-I889 HydrophobicContact CZ-CG2 4.06Å; R838-I889 HydrophobicContact CB-CG1 3.81Å; R838-I889 WeakPolarHBondContact O-CD1 3.1Å; A839-I889 HydrophobicContact CB-CG2 3.59Å; F842-I889 HydrophobicContact CB-CD1 3.34Å; F842-I889 HydrophobicContact CD1-CD1 3.5Å; F842-I889 VanDerWaalsContact CD1-CD1 3.5Å; F842-I889 HydrophobicContact CD2-CD1 4.43Å; F842-I889 HydrophobicContact CE1-CD1 4.47Å; F842-I889 HydrophobicContact CG-CD1 3.49Å; F842-I889 VanDerWaalsContact CG-CD1 3.49Å; E885-I889 HydrophobicContact CG-CD1 4.18Å; E885-I889 PolarHBondContact O-N 3.44Å; R886-I889 PolarHBondContact O-N 2.7Å; I889-G891 PolarHBondContact O-N 2.62Å; I889-I892 PolarHBondContact O-N 3.28Å; I889-I892 VanDerWaalsContact O-N 3.14Å; I889-I921 HydrophobicContact CB-CD1 4.34Å; I889-I921 HydrophobicContact CG2-CD1 3.41Å; I889-I921 VanDerWaalsContact CG2-CD1 3.41Å
890	L	79.3	Confident	77.4	Confident	29 Å²	29	67 Å²	67	15%	0.152	36%	0.357	C	S	.	.	H	α-helix	trans	-56.7	-25.2	179.7	-60.7	171.4	0	0	0	113.2	R886 P918	R886-L890 WeakPolarHBondContact O-CG 3.37Å; R886-L890 PolarHBondContact O-N 3.23Å; L890-P918 VanDerWaalsContact CD2-CA 3.42Å; L890-P918 HydrophobicContact CD2-CB 3.41Å; L890-P918 VanDerWaalsContact CD2-CB 3.41Å; L890-P918 HydrophobicContact CD2-CG 4.22Å; L890-P918 WeakPolarHBondContact CD2-O 3.49Å
891	G	77.5	Confident	76.3	Confident	47 Å²	47	70.3 Å²	70.3	49%	0.485	36%	0.364	S	S	.	.	H	α-helix	trans	-67.2	-32.6	177.5	0	0	0	0	0	115.7	A888 I889	A888-G891 PolarHBondContact O-N 2.76Å; I889-G891 PolarHBondContact O-N 2.62Å
892	I	75.4	Confident	75.5	Confident	31 Å²	31	67.1 Å²	67.1	16%	0.159	36%	0.355	C	S	.	.	H	α-helix	trans	-78.7	-33.2	-173.3	-56	167.2	0	0	0	111.8	F835 I889 N894 E895 I896	F835-I892 HydrophobicContact CB-CB 3.91Å; F835-I892 HydrophobicContact CB-CG2 3.63Å; F835-I892 HydrophobicContact CD2-CB 3.96Å; F835-I892 HydrophobicContact CG-CB 4.41Å; I889-I892 PolarHBondContact O-N 3.28Å; I889-I892 VanDerWaalsContact O-N 3.14Å; I892-N894 PolarHBondContact O-N 3.25Å; I892-E895 PolarHBondContact O-N 2.99Å; I892-E895 VanDerWaalsContact O-N 3.15Å; I892-I896 WeakPolarHBondContact O-CD1 3.36Å
893	H	72.1	Confident	74.5	Confident	44 Å²	44	75.7 Å²	75.7	20%	0.204	39%	0.387	C	S	.	.	H	α-helix	trans	-56.8	-33.6	178.1	-177.5	83.8	0	0	0	113.2	F835 E895 P918	F835-H893 HydrophobicContact CD2-CB 3.7Å; F835-H893 VanDerWaalsContact CD2-N 3.33Å; F835-H893 HydrophobicContact CE2-CB 3.49Å; F835-H893 VanDerWaalsContact CE2-CB 3.49Å; F835-H893 HydrophobicContact CG-CB 4.36Å; F835-H893 HydrophobicContact CZ-CB 3.96Å; H893-E895 PolarHBondContact O-N 3.45Å; H893-P918 HydrophobicContact CB-CG 3.9Å
894	N	75.9	Confident	73.3	Confident	122 Å²	122	81.5 Å²	81.5	65%	0.652	41%	0.412	S	S	*	.	H	α-helix	trans	-65.4	-20.7	-178.4	-65.9	-30.9	0	0	0	113.5	I892	I892-N894 PolarHBondContact O-N 3.25Å
895	E	72.7	Confident	72.1	Confident	103 Å²	103	76 Å²	76	48%	0.481	39%	0.392	S	S	.	.	H	α-helix	trans	-87.3	-31.2	-178.4	-167.9	64	-157.9	0	0	113.5	I892 H893 A897 K898	I892-E895 PolarHBondContact O-N 2.99Å; I892-E895 VanDerWaalsContact O-N 3.15Å; H893-E895 PolarHBondContact O-N 3.45Å; E895-A897 VanDerWaalsContact C-N 3.35Å; E895-A897 PolarHBondContact O-N 2.67Å; E895-K898 VanDerWaalsContact O-CB 3.25Å; E895-K898 WeakPolarHBondContact O-CB 3.01Å; E895-K898 PolarHBondContact O-N 3.46Å; E895-K898 WeakPolarHBondContact OE1-CD 3.28Å; E895-K898 IonicContact OE1-NZ 2.67Å; E895-K898 PolarHBondContact OE1-NZ 3.43Å; E895-K898 IonicContact OE2-NZ 2.65Å
896	I	67.2	Low	70.9	Confident	1 Å²	1	79.4 Å²	79.4	1%	0.005	41%	0.413	C	S	.	.	H	α-helix	trans	-69.7	-30.3	-178.6	-54.6	105.1	0	0	0	113.2	L831 Y832 F835 I892 K898 I899	L831-I896 HydrophobicContact CB-CG1 3.8Å; Y832-I896 HydrophobicContact CD1-CB 3.51Å; Y832-I896 HydrophobicContact CD1-CD1 3.38Å; Y832-I896 HydrophobicContact CD1-CG1 3.37Å; Y832-I896 HydrophobicContact CD1-CG2 3.4Å; Y832-I896 VanDerWaalsContact CD1-CG2 3.4Å; Y832-I896 HydrophobicContact CD2-CG2 3.52Å; Y832-I896 HydrophobicContact CE1-CB 3.34Å; Y832-I896 HydrophobicContact CE1-CD1 3.86Å; Y832-I896 HydrophobicContact CE1-CG1 3.78Å; Y832-I896 HydrophobicContact CE1-CG2 3.2Å; Y832-I896 HydrophobicContact CE2-CB 4.4Å; Y832-I896 HydrophobicContact CE2-CG2 3.33Å; Y832-I896 HydrophobicContact CG-CB 4.16Å; Y832-I896 HydrophobicContact CG-CD1 4.26Å; Y832-I896 HydrophobicContact CG-CG1 3.9Å; Y832-I896 HydrophobicContact CG-CG2 3.6Å; F835-I896 HydrophobicContact CB-CD1 4.36Å; I892-I896 WeakPolarHBondContact O-CD1 3.36Å; I896-K898 PolarHBondContact O-N 2.9Å; I896-I899 PolarHBondContact O-N 3.47Å
897	A	66.7	Low	69.6	Low	60 Å²	60	79 Å²	79	50%	0.496	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-19.1	175.6	0	0	0	0	0	113.4	E895	E895-A897 VanDerWaalsContact C-N 3.35Å; E895-A897 PolarHBondContact O-N 2.67Å
898	K	72.9	Confident	68.3	Low	138 Å²	138	78 Å²	78	60%	0.6	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-25.8	-177.4	-166.9	175.6	167.1	-170.1	0	115.7	E895 I896	E895-K898 VanDerWaalsContact O-CB 3.25Å; E895-K898 WeakPolarHBondContact O-CB 3.01Å; E895-K898 PolarHBondContact O-N 3.46Å; E895-K898 WeakPolarHBondContact OE1-CD 3.28Å; E895-K898 IonicContact OE1-NZ 2.67Å; E895-K898 PolarHBondContact OE1-NZ 3.43Å; E895-K898 IonicContact OE2-NZ 2.65Å; I896-K898 PolarHBondContact O-N 2.9Å
899	I	63.9	Low	67.2	Low	63 Å²	63	78 Å²	78	32%	0.323	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-38.8	-174	-65.8	176.8	0	0	0	113.1	I828 L831 I896 Q901 T902	I828-I899 HydrophobicContact CD1-CG2 4.35Å; I828-I899 HydrophobicContact CG1-CG2 3.68Å; L831-I899 HydrophobicContact CD1-CD1 3.24Å; I896-I899 PolarHBondContact O-N 3.47Å; I899-Q901 PolarHBondContact O-N 2.83Å; I899-T902 PolarHBondContact O-N 3.24Å
900	V	64.1	Low	66.3	Low	24 Å²	24	82.8 Å²	82.8	15%	0.145	46%	0.456	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-25.4	-177.9	158.9	0	0	0	0	113.4	I828 T902 M907	I828-V900 HydrophobicContact CD1-CG2 4.49Å; I828-V900 HydrophobicContact CG2-CG2 4.02Å; V900-T902 VanDerWaalsContact C-N 3.27Å; V900-T902 PolarHBondContact O-N 3.26Å; V900-M907 HydrophobicContact CG1-CB 4.12Å; V900-M907 WeakPolarHBondContact CG1-O 3.22Å; V900-M907 HydrophobicContact CG2-CB 4.31Å; V900-M907 HydrophobicContact CG2-CG 4.22Å
901	Q	64.1	Low	65.6	Low	169 Å²	169	82.2 Å²	82.2	79%	0.79	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-7	-177.4	-158	171.7	3.6	0	0	115.2	I899	I899-Q901 PolarHBondContact O-N 2.83Å
902	T	67.9	Low	64.9	Low	93 Å²	93	81.9 Å²	81.9	57%	0.571	44%	0.442	S	S	*	.	S	Bend	trans	-107.2	-42.5	-163.7	-50.3	0	0	0	0	117.4	I899 V900 H904	I899-T902 PolarHBondContact O-N 3.24Å; V900-T902 VanDerWaalsContact C-N 3.27Å; V900-T902 PolarHBondContact O-N 3.26Å; T902-H904 PolarHBondContact O-ND1 2.8Å
903	Y	61.7	Low	64.6	Low	192 Å²	192	83.7 Å²	83.7	75%	0.753	45%	0.448	S	S	*	.	S	Bend	trans	-92.3	8.1	-171.5	-80	-87.6	0	0	0	115.5	V905	Y903-V905 PolarHBondContact O-N 3.46Å
904	H	59.3	Low	64.3	Low	175 Å²	175	82 Å²	82	81%	0.81	44%	0.44	S	S	*	.			trans	51.2	18.8	-178.1	-59.6	71.5	0	0	0	114.2	T902 N906	T902-H904 PolarHBondContact O-ND1 2.8Å; H904-N906 PolarHBondContact O-N 3.35Å
905	V	59.3	Low	63.6	Low	53 Å²	53	81.6 Å²	81.6	32%	0.321	44%	0.442	S	S	.	.			trans	-68.4	120.8	162.5	-170.6	0	0	0	0	104.3	L825 Y903 M907	L825-V905 HydrophobicContact CD1-CG1 4.47Å; L825-V905 HydrophobicContact CD2-CG1 3.29Å; L825-V905 HydrophobicContact CG-CG1 4.04Å; Y903-V905 PolarHBondContact O-N 3.46Å; V905-M907 PolarHBondContact O-N 3.42Å
906	N	58.9	Low	63.4	Low	147 Å²	147	77.1 Å²	77.1	79%	0.786	42%	0.422	S	S	*	.			trans	-66	84	175.2	-95.9	-17.1	0	0	0	108.2	H904	H904-N906 PolarHBondContact O-N 3.35Å
907	M	58.8	Low	63.4	Low	20 Å²	20	79.5 Å²	79.5	10%	0.099	43%	0.434	C	S	.	.			trans	-120.5	109.8	178.4	-158.4	93.4	147.2	0	0	105.8	S747 L748 L825 I828 V900 V905 G909	S747-M907 VanDerWaalsContact CB-SD 3.56Å; L748-M907 HydrophobicContact CB-CE 3.85Å; L825-M907 HydrophobicContact CD2-CE 3.77Å; L825-M907 HydrophobicContact CD2-SD 3.3Å; L825-M907 WeakPolarHBondContact CD2-SD 3.25Å; I828-M907 HydrophobicContact CG2-CE 3.94Å; V900-M907 HydrophobicContact CG1-CB 4.12Å; V900-M907 WeakPolarHBondContact CG1-O 3.22Å; V900-M907 HydrophobicContact CG2-CB 4.31Å; V900-M907 HydrophobicContact CG2-CG 4.22Å; V905-M907 PolarHBondContact O-N 3.42Å; M907-G909 PolarHBondContact O-N 2.93Å
908	A	54.8	Low	63.7	Low	89 Å²	89	77.9 Å²	77.9	74%	0.736	42%	0.419	S	S	*	.			trans	-82.3	76.7	-176.3	0	0	0	0	0	110.8	T910	A908-T910 PolarHBondContact O-N 3.35Å; A908-T910 PolarHBondContact O-OG1 3.21Å
909	G	58.3	Low	63.8	Low	37 Å²	37	78.8 Å²	78.8	38%	0.381	43%	0.425	S	S	.	.	S	Bend	trans	48.3	8.7	158.8	0	0	0	0	0	121.6	Y832 M907	Y832-G909 PolarHBondContact OH-O 3.34Å; Y832-G909 VanDerWaalsContact OH-O 3.12Å; M907-G909 PolarHBondContact O-N 2.93Å
910	T	60.9	Low	64.4	Low	101 Å²	101	79.3 Å²	79.3	62%	0.62	43%	0.426	S	S	*	.			trans	-124.7	147.1	-170.4	35.9	0	0	0	0	115.1	Y832 A908 P912	Y832-T910 WeakPolarHBondContact CE2-O 3.46Å; Y832-T910 VanDerWaalsContact OH-CA 3.23Å; Y832-T910 WeakPolarHBondContact OH-CA 3.41Å; Y832-T910 PolarHBondContact OH-N 3.15Å; Y832-T910 PolarHBondContact OH-O 2.92Å; Y832-T910 VanDerWaalsContact OH-O 3.09Å; A908-T910 PolarHBondContact O-N 3.35Å; A908-T910 PolarHBondContact O-OG1 3.21Å; T910-P912 WeakPolarHBondContact O-CD 3.39Å
911	N	65.4	Low	65.1	Low	18 Å²	18	78.1 Å²	78.1	10%	0.096	42%	0.419	C	S	.	.			trans	-74.7	120.8	-169.4	-171.8	-38	0	0	0	113.9	Y832 F835 Y913 T914	Y832-N911 VanDerWaalsContact CA-ND2 3.29Å; Y832-N911 WeakPolarHBondContact CA-ND2 3.2Å; Y832-N911 VanDerWaalsContact CB-CG 3.43Å; Y832-N911 VanDerWaalsContact CB-OD1 3.25Å; Y832-N911 WeakPolarHBondContact CB-OD1 3.45Å; Y832-N911 HydrophobicContact CD1-CB 3.1Å; Y832-N911 WeakPolarHBondContact CD1-ND2 3.41Å; Y832-N911 HydrophobicContact CE1-CB 3.27Å; Y832-N911 VanDerWaalsContact CE1-N 3.29Å; Y832-N911 HydrophobicContact CG-CB 3.82Å; Y832-N911 VanDerWaalsContact CG-CG 3.47Å; Y832-N911 VanDerWaalsContact CZ-N 3.32Å; Y832-N911 PolarHBondContact O-ND2 2.94Å; Y832-N911 PolarHBondContact O-OD1 3.3Å; F835-N911 WeakPolarHBondContact CD1-ND2 3.01Å; N911-Y913 PolarHBondContact OD1-N 3.43Å; N911-T914 PolarHBondContact OD1-N 3.41Å; N911-T914 VanDerWaalsContact OD1-N 3.15Å
912	P	63.7	Low	66	Low	40 Å²	40	72.5 Å²	72.5	26%	0.26	40%	0.395	S	S	.	.	S	Bend	trans	-88	-14	179.9	32.9	-31.8	0	0	0	116.1	D829 Y832 T910	D829-P912 WeakPolarHBondContact OD1-CG 3.21Å; Y832-P912 HydrophobicContact CD2-CG 3.81Å; Y832-P912 VanDerWaalsContact CE2-CD 3.42Å; Y832-P912 HydrophobicContact CE2-CG 4.41Å; Y832-P912 HydrophobicContact CG-CG 4.38Å; T910-P912 WeakPolarHBondContact O-CD 3.39Å
913	Y	68.9	Low	66.5	Low	69 Å²	69	70.8 Å²	70.8	27%	0.271	39%	0.39	S	S	.	.	S	Bend	trans	-92.7	-15.5	179	-66.6	-91.3	0	0	0	114	D829 Q830 Y832 L833 A836 N911	D829-Y913 WeakPolarHBondContact CA-OH 2.91Å; D829-Y913 HydrophobicContact CB-CE2 3.46Å; D829-Y913 VanDerWaalsContact CB-CE2 3.46Å; D829-Y913 WeakPolarHBondContact CB-OH 2.89Å; D829-Y913 WeakPolarHBondContact O-CD2 3.19Å; D829-Y913 WeakPolarHBondContact O-CE2 3.48Å; D829-Y913 VanDerWaalsContact O-CZ 3.27Å; D829-Y913 PolarHBondContact O-OH 2.83Å; D829-Y913 WeakPolarHBondContact OD1-CE2 3.25Å; D829-Y913 PolarHBondContact OD1-OH 3.47Å; D829-Y913 WeakPolarHBondContact OD2-CE1 3.3Å; D829-Y913 PolarHBondContact OD2-OH 3.43Å; Q830-Y913 PolarHBondContact N-OH 3.03Å; Q830-Y913 VanDerWaalsContact N-OH 3.15Å; Y832-Y913 VanDerWaalsContact CB-CD2 3.48Å; L833-Y913 HydrophobicContact CB-CD1 3.87Å; L833-Y913 HydrophobicContact CB-CD2 3.97Å; L833-Y913 HydrophobicContact CB-CE1 3.73Å; L833-Y913 HydrophobicContact CB-CE2 3.87Å; L833-Y913 HydrophobicContact CB-CG 3.85Å; L833-Y913 HydrophobicContact CD1-CD1 3.38Å; L833-Y913 HydrophobicContact CD1-CE1 3.61Å; L833-Y913 HydrophobicContact CD1-CG 3.97Å; L833-Y913 HydrophobicContact CD2-CE1 4.27Å; L833-Y913 HydrophobicContact CG-CD1 4.15Å; L833-Y913 HydrophobicContact CG-CE1 4.05Å; A836-Y913 HydrophobicContact CB-CG 4.41Å; A836-Y913 WeakPolarHBondContact CB-O 3.38Å; N911-Y913 PolarHBondContact OD1-N 3.43Å
914	T	64.9	Low	67.4	Low	8 Å²	8	63.8 Å²	63.8	5%	0.049	36%	0.363	C	S	.	.			trans	-141.4	117.1	169.9	-175.1	0	0	0	0	106.9	F835 A836 A839 N911 I916	F835-T914 HydrophobicContact CD1-CG2 3.2Å; F835-T914 HydrophobicContact CE1-CG2 3.4Å; F835-T914 VanDerWaalsContact CE1-CG2 3.4Å; F835-T914 HydrophobicContact CG-CG2 4.43Å; A836-T914 VanDerWaalsContact CB-CB 3.48Å; A836-T914 HydrophobicContact CB-CG2 3.64Å; A839-T914 HydrophobicContact CB-CG2 4.29Å; N911-T914 PolarHBondContact OD1-N 3.41Å; N911-T914 VanDerWaalsContact OD1-N 3.15Å; T914-I916 PolarHBondContact O-N 2.92Å; T914-I916 WeakPolarHBondContact OG1-CB 3.43Å; T914-I916 WeakPolarHBondContact OG1-CD1 3.25Å; T914-I916 VanDerWaalsContact OG1-CG1 3.28Å; T914-I916 WeakPolarHBondContact OG1-CG1 3.39Å; T914-I916 PolarHBondContact OG1-N 3.15Å
915	T	61.6	Low	68.8	Low	114 Å²	114	56.7 Å²	56.7	70%	0.699	33%	0.329	S	S	*	.			trans	-61.2	-21.8	167.3	49.5	0	0	0	0	110.9	N917	T915-N917 VanDerWaalsContact C-N 3.25Å; T915-N917 PolarHBondContact O-N 3.39Å
916	I	67.5	Low	70	Confident	9 Å²	9	58.5 Å²	58.5	5%	0.046	34%	0.337	C	S	.	.			trans	-66	90.2	-178.3	-51.7	156.4	0	0	0	107.9	F835 N843 T914 E920 I921	F835-I916 WeakPolarHBondContact CE1-O 3.41Å; N843-I916 HydrophobicContact CB-CD1 3.19Å; N843-I916 HydrophobicContact CB-CG1 4.14Å; T914-I916 PolarHBondContact O-N 2.92Å; T914-I916 WeakPolarHBondContact OG1-CB 3.43Å; T914-I916 WeakPolarHBondContact OG1-CD1 3.25Å; T914-I916 VanDerWaalsContact OG1-CG1 3.28Å; T914-I916 WeakPolarHBondContact OG1-CG1 3.39Å; T914-I916 PolarHBondContact OG1-N 3.15Å; I916-E920 HydrophobicContact CG2-CB 4.5Å; I916-I921 HydrophobicContact CB-CG1 4.44Å; I916-I921 HydrophobicContact CG2-CB 4.31Å; I916-I921 HydrophobicContact CG2-CD1 3.76Å; I916-I921 HydrophobicContact CG2-CG1 3.08Å
917	N	67.9	Low	71	Confident	51 Å²	51	56.5 Å²	56.5	27%	0.273	32%	0.321	S	S	.	.			trans	-75.9	158	174.1	62.8	62.9	0	0	0	108.9	T915 Q919 E920 I921	T915-N917 VanDerWaalsContact C-N 3.25Å; T915-N917 PolarHBondContact O-N 3.39Å; N917-Q919 PolarHBondContact O-N 3.46Å; N917-Q919 WeakPolarHBondContact OD1-CA 3.34Å; N917-Q919 VanDerWaalsContact OD1-CB 3.31Å; N917-Q919 WeakPolarHBondContact OD1-CB 3.28Å; N917-Q919 PolarHBondContact OD1-N 3.2Å; N917-E920 WeakPolarHBondContact ND2-CG 3.47Å; N917-E920 PolarHBondContact ND2-OE1 2.87Å; N917-E920 PolarHBondContact O-N 3.48Å; N917-E920 PolarHBondContact OD1-N 2.93Å; N917-I921 PolarHBondContact O-N 3.14Å; N917-I921 VanDerWaalsContact O-N 3.09Å
918	P	73.9	Confident	72.3	Confident	26 Å²	26	55.6 Å²	55.6	17%	0.169	32%	0.317	C	S	.	.	H	α-helix	trans	-47.6	-29.8	176.7	-35.8	40.9	0	0	0	115.2	F835 L890 H893 N922	F835-P918 HydrophobicContact CZ-CG 4.11Å; L890-P918 VanDerWaalsContact CD2-CA 3.42Å; L890-P918 HydrophobicContact CD2-CB 3.41Å; L890-P918 VanDerWaalsContact CD2-CB 3.41Å; L890-P918 HydrophobicContact CD2-CG 4.22Å; L890-P918 WeakPolarHBondContact CD2-O 3.49Å; H893-P918 HydrophobicContact CB-CG 3.9Å; P918-N922 VanDerWaalsContact O-CG 3.3Å; P918-N922 PolarHBondContact O-ND2 3.16Å
919	Q	75.1	Confident	73.8	Confident	156 Å²	156	59.6 Å²	59.6	73%	0.729	31%	0.313	S	S	*	.	H	α-helix	trans	-81.6	-34.5	-179.2	-59.8	166.9	-24.2	0	0	111.7	N917 N922 A923	N917-Q919 PolarHBondContact O-N 3.46Å; N917-Q919 WeakPolarHBondContact OD1-CA 3.34Å; N917-Q919 VanDerWaalsContact OD1-CB 3.31Å; N917-Q919 WeakPolarHBondContact OD1-CB 3.28Å; N917-Q919 PolarHBondContact OD1-N 3.2Å; Q919-N922 PolarHBondContact O-N 3.36Å; Q919-A923 WeakPolarHBondContact O-CB 3.33Å; Q919-A923 PolarHBondContact O-N 2.93Å
920	E	74.6	Confident	75.1	Confident	74 Å²	74	63.6 Å²	63.6	35%	0.346	32%	0.322	S	S	.	.	H	α-helix	trans	-69.6	-38.6	173.6	-83.4	176.6	-156.9	0	0	112.8	I916 N917 N922 A923 K924	I916-E920 HydrophobicContact CG2-CB 4.5Å; N917-E920 WeakPolarHBondContact ND2-CG 3.47Å; N917-E920 PolarHBondContact ND2-OE1 2.87Å; N917-E920 PolarHBondContact O-N 3.48Å; N917-E920 PolarHBondContact OD1-N 2.93Å; E920-N922 PolarHBondContact O-N 3.16Å; E920-A923 PolarHBondContact O-N 3.35Å; E920-K924 WeakPolarHBondContact O-CB 3.44Å; E920-K924 WeakPolarHBondContact O-CG 3.16Å; E920-K924 PolarHBondContact O-N 2.82Å
921	I	80.5	Confident	76.2	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-56.2	-44.1	171.4	-60.8	-173	0	0	0	109.4	F835 A839 F842 M846 R886 I889 I916 N917 W925	F835-I921 HydrophobicContact CZ-CD1 4.27Å; A839-I921 HydrophobicContact CB-CD1 4.06Å; F842-I921 HydrophobicContact CD1-CG2 4.12Å; F842-I921 HydrophobicContact CE1-CG2 3.91Å; M846-I921 HydrophobicContact CE-CG2 3.86Å; R886-I921 HydrophobicContact CG-CG2 3.53Å; I889-I921 HydrophobicContact CB-CD1 4.34Å; I889-I921 HydrophobicContact CG2-CD1 3.41Å; I889-I921 VanDerWaalsContact CG2-CD1 3.41Å; I916-I921 HydrophobicContact CB-CG1 4.44Å; I916-I921 HydrophobicContact CG2-CB 4.31Å; I916-I921 HydrophobicContact CG2-CD1 3.76Å; I916-I921 HydrophobicContact CG2-CG1 3.08Å; N917-I921 PolarHBondContact O-N 3.14Å; N917-I921 VanDerWaalsContact O-N 3.09Å; I921-W925 WeakPolarHBondContact O-CB 3.48Å; I921-W925 PolarHBondContact O-N 3.26Å
922	N	81.6	Confident	77.3	Confident	51 Å²	51	59 Å²	59	27%	0.273	29%	0.294	S	S	.	.	H	α-helix	trans	-69.8	-42.1	178.8	-66	-17.7	0	0	0	111.9	R886 P918 Q919 E920 W925 D926	R886-N922 PolarHBondContact NH1-OD1 3.46Å; P918-N922 VanDerWaalsContact O-CG 3.3Å; P918-N922 PolarHBondContact O-ND2 3.16Å; Q919-N922 PolarHBondContact O-N 3.36Å; E920-N922 PolarHBondContact O-N 3.16Å; N922-W925 WeakPolarHBondContact O-CB 3.1Å; N922-W925 PolarHBondContact O-N 3.44Å; N922-D926 WeakPolarHBondContact O-CB 3.49Å; N922-D926 VanDerWaalsContact O-CG 3.22Å; N922-D926 PolarHBondContact O-N 2.8Å
923	A	79.9	Confident	78.3	Confident	57 Å²	57	60.6 Å²	60.6	47%	0.471	30%	0.304	S	S	.	.	H	α-helix	trans	-66.1	-40	178.6	0	0	0	0	0	112.6	Q919 E920 D926 K927	Q919-A923 WeakPolarHBondContact O-CB 3.33Å; Q919-A923 PolarHBondContact O-N 2.93Å; E920-A923 PolarHBondContact O-N 3.35Å; A923-D926 PolarHBondContact O-N 3.44Å; A923-K927 WeakPolarHBondContact O-CB 3.47Å; A923-K927 PolarHBondContact O-N 3Å
924	K	80.4	Confident	79.1	Confident	45 Å²	45	62.1 Å²	62.1	20%	0.196	31%	0.314	C	S	.	.	H	α-helix	trans	-70.6	-38.3	174.3	-74.7	-176.9	-178.9	-179.2	0	111.6	N843 M846 E847 M850 E920 D926 K927 V928	N843-K924 WeakPolarHBondContact OD1-CD 3.05Å; N843-K924 PolarHBondContact OD1-NZ 3.45Å; M846-K924 HydrophobicContact CE-CB 4.39Å; M846-K924 HydrophobicContact SD-CB 4.33Å; E847-K924 IonicContact OE1-NZ 3.86Å; E847-K924 PolarHBondContact OE1-NZ 3.18Å; M850-K924 HydrophobicContact CE-CB 4.26Å; M850-K924 HydrophobicContact CE-CD 4.02Å; M850-K924 HydrophobicContact CE-CG 4.1Å; E920-K924 WeakPolarHBondContact O-CB 3.44Å; E920-K924 WeakPolarHBondContact O-CG 3.16Å; E920-K924 PolarHBondContact O-N 2.82Å; K924-D926 VanDerWaalsContact C-N 3.32Å; K924-D926 PolarHBondContact O-N 3.08Å; K924-K927 CarbonylContact O-C 3.39Å; K924-K927 PolarHBondContact O-N 3.44Å; K924-K927 VanDerWaalsContact O-N 3.15Å; K924-V928 VanDerWaalsContact O-CG2 3.32Å; K924-V928 WeakPolarHBondContact O-CG2 2.96Å; K924-V928 PolarHBondContact O-N 2.66Å
925	W	87.4	Confident	80.2	Confident	26 Å²	26	62.7 Å²	62.7	10%	0.098	32%	0.315	C	S	.	.	H	α-helix	trans	-58.3	-45.4	171.2	-179.1	-99.1	0	0	0	111.7	F842 W845 M846 L879 A882 D883 I921 N922 K927 V928 R929	F842-W925 HydrophobicContact CE1-CE3 4.45Å; F842-W925 HydrophobicContact CE2-CZ3 4.48Å; F842-W925 AromaticContact CZ-CE3 3.87Å; F842-W925 HydrophobicContact CZ-CE3 3.87Å; F842-W925 AromaticContact CZ-CZ3 3.87Å; F842-W925 HydrophobicContact CZ-CZ3 3.87Å; W845-W925 HydrophobicContact CH2-CH2 4.34Å; W845-W925 AromaticContact CH2-CZ3 3.9Å; W845-W925 HydrophobicContact CH2-CZ3 3.9Å; W845-W925 HydrophobicContact CZ3-CE3 4.27Å; W845-W925 HydrophobicContact CZ3-CH2 4.4Å; W845-W925 AromaticContact CZ3-CZ3 3.53Å; W845-W925 HydrophobicContact CZ3-CZ3 3.53Å; M846-W925 HydrophobicContact CG-CE3 4.3Å; M846-W925 HydrophobicContact SD-CB 3.96Å; M846-W925 HydrophobicContact SD-CE3 3.86Å; L879-W925 WeakPolarHBondContact O-CH2 3.14Å; A882-W925 HydrophobicContact CB-CH2 3.7Å; A882-W925 HydrophobicContact CB-CZ3 3.62Å; D883-W925 HydrophobicContact CB-CH2 3.9Å; D883-W925 HydrophobicContact CB-CZ2 3.44Å; D883-W925 VanDerWaalsContact CB-CZ2 3.44Å; D883-W925 PolarHBondContact OD1-NE1 3.03Å; I921-W925 WeakPolarHBondContact O-CB 3.48Å; I921-W925 PolarHBondContact O-N 3.26Å; N922-W925 WeakPolarHBondContact O-CB 3.1Å; N922-W925 PolarHBondContact O-N 3.44Å; W925-K927 VanDerWaalsContact C-N 3.31Å; W925-K927 PolarHBondContact O-N 3.24Å; W925-V928 PolarHBondContact O-N 3.47Å; W925-R929 WeakPolarHBondContact O-CB 2.82Å; W925-R929 PolarHBondContact O-N 2.8Å
926	D	84.4	Confident	81.3	Confident	91 Å²	91	59.1 Å²	59.1	49%	0.487	29%	0.292	S	S	.	.	H	α-helix	trans	-65.1	-35.1	174.8	-70.6	-28.3	0	0	0	111.8	N922 A923 K924 R929 Q930	N922-D926 WeakPolarHBondContact O-CB 3.49Å; N922-D926 VanDerWaalsContact O-CG 3.22Å; N922-D926 PolarHBondContact O-N 2.8Å; A923-D926 PolarHBondContact O-N 3.44Å; K924-D926 VanDerWaalsContact C-N 3.32Å; K924-D926 PolarHBondContact O-N 3.08Å; D926-R929 CarbonylContact O-C 3.55Å; D926-R929 WeakPolarHBondContact O-CB 3.44Å; D926-R929 PolarHBondContact O-N 3.2Å; D926-Q930 WeakPolarHBondContact O-CB 3.24Å; D926-Q930 PolarHBondContact O-N 2.67Å
927	K	80.9	Confident	82.2	Confident	104 Å²	104	63 Å²	63	45%	0.452	31%	0.31	S	S	.	.	H	α-helix	trans	-71.4	-41.9	175.8	-165.1	173.1	-177.1	-177.4	0	112.9	M850 A923 K924 W925 R929 Q930 L931	M850-K927 HydrophobicContact SD-CB 4.27Å; M850-K927 HydrophobicContact SD-CD 4.14Å; M850-K927 HydrophobicContact SD-CG 4.21Å; A923-K927 WeakPolarHBondContact O-CB 3.47Å; A923-K927 PolarHBondContact O-N 3Å; K924-K927 CarbonylContact O-C 3.39Å; K924-K927 PolarHBondContact O-N 3.44Å; K924-K927 VanDerWaalsContact O-N 3.15Å; W925-K927 VanDerWaalsContact C-N 3.31Å; W925-K927 PolarHBondContact O-N 3.24Å; K927-R929 VanDerWaalsContact C-N 3.27Å; K927-R929 PolarHBondContact O-N 2.69Å; K927-Q930 CarbonylContact O-C 3.53Å; K927-Q930 WeakPolarHBondContact O-CB 3.29Å; K927-Q930 PolarHBondContact O-N 2.99Å; K927-Q930 VanDerWaalsContact O-N 3.11Å; K927-L931 HydrophobicContact CG-CD1 4.07Å; K927-L931 HydrophobicContact CG-CG 4.39Å; K927-L931 WeakPolarHBondContact O-CB 3.28Å; K927-L931 VanDerWaalsContact O-CG 3.26Å; K927-L931 WeakPolarHBondContact O-CG 3.28Å; K927-L931 PolarHBondContact O-N 2.79Å
928	V	84.9	Confident	83	Confident	1 Å²	1	62.3 Å²	62.3	1%	0.006	31%	0.311	C	S	.	.	H	α-helix	trans	-55.4	-48.6	169.1	169.9	0	0	0	0	108.7	M846 A849 M850 L853 L879 K924 W925 Q930 L931 V932	M846-V928 HydrophobicContact CB-CG2 4.01Å; M846-V928 HydrophobicContact CG-CG2 4.32Å; M846-V928 WeakPolarHBondContact O-CG2 3.47Å; A849-V928 HydrophobicContact CB-CG1 4.25Å; A849-V928 HydrophobicContact CB-CG2 4.42Å; M850-V928 HydrophobicContact CG-CB 4.46Å; M850-V928 HydrophobicContact CG-CG2 3.43Å; M850-V928 VanDerWaalsContact CG-CG2 3.43Å; M850-V928 HydrophobicContact SD-CG2 4.14Å; L853-V928 HydrophobicContact CD1-CG1 4.19Å; L879-V928 HydrophobicContact CD2-CG1 4.23Å; K924-V928 VanDerWaalsContact O-CG2 3.32Å; K924-V928 WeakPolarHBondContact O-CG2 2.96Å; K924-V928 PolarHBondContact O-N 2.66Å; W925-V928 PolarHBondContact O-N 3.47Å; V928-Q930 VanDerWaalsContact C-N 3.26Å; V928-Q930 PolarHBondContact O-N 2.94Å; V928-L931 PolarHBondContact O-N 3.06Å; V928-V932 VanDerWaalsContact O-CG2 3.27Å; V928-V932 WeakPolarHBondContact O-CG2 3.17Å; V928-V932 PolarHBondContact O-N 3.41Å
929	R	86.8	Confident	83.7	Confident	173 Å²	173	61.4 Å²	61.4	65%	0.653	30%	0.304	S	S	*	.	H	α-helix	trans	-63.2	-29.6	177.6	-169.6	179.4	175.2	-165.1	-0.7	113.3	W925 D926 K927 P933	W925-R929 WeakPolarHBondContact O-CB 2.82Å; W925-R929 PolarHBondContact O-N 2.8Å; D926-R929 CarbonylContact O-C 3.55Å; D926-R929 WeakPolarHBondContact O-CB 3.44Å; D926-R929 PolarHBondContact O-N 3.2Å; K927-R929 VanDerWaalsContact C-N 3.27Å; K927-R929 PolarHBondContact O-N 2.69Å; R929-P933 WeakPolarHBondContact O-CD 3.35Å
930	Q	85.6	Confident	84.3	Confident	122 Å²	122	58.7 Å²	58.7	57%	0.57	29%	0.294	S	S	*	.	H	α-helix	trans	-79.2	-34.3	174.7	-169.5	-175	5	0	0	112.8	D926 K927 V928 P933 Q934	D926-Q930 WeakPolarHBondContact O-CB 3.24Å; D926-Q930 PolarHBondContact O-N 2.67Å; K927-Q930 CarbonylContact O-C 3.53Å; K927-Q930 WeakPolarHBondContact O-CB 3.29Å; K927-Q930 PolarHBondContact O-N 2.99Å; K927-Q930 VanDerWaalsContact O-N 3.11Å; V928-Q930 VanDerWaalsContact C-N 3.26Å; V928-Q930 PolarHBondContact O-N 2.94Å; Q930-P933 WeakPolarHBondContact O-CD 3.49Å; Q930-Q934 WeakPolarHBondContact O-CG 3.39Å
931	L	84.1	Confident	84.9	Confident	10 Å²	10	60.3 Å²	60.3	5%	0.052	30%	0.302	C	S	.	.	H	α-helix	trans	-75.7	-28.6	179.4	-75.5	168.1	0	0	0	112.2	M850 L853 Q854 K927 V928 Q934 R935	M850-L931 HydrophobicContact CB-CD1 4Å; M850-L931 HydrophobicContact CG-CD1 3.67Å; M850-L931 HydrophobicContact SD-CD1 4.2Å; L853-L931 HydrophobicContact CB-CB 4.32Å; L853-L931 HydrophobicContact CD1-CB 4.1Å; Q854-L931 HydrophobicContact CG-CD1 4.05Å; Q854-L931 HydrophobicContact CG-CD2 3.9Å; K927-L931 HydrophobicContact CG-CD1 4.07Å; K927-L931 HydrophobicContact CG-CG 4.39Å; K927-L931 WeakPolarHBondContact O-CB 3.28Å; K927-L931 VanDerWaalsContact O-CG 3.26Å; K927-L931 WeakPolarHBondContact O-CG 3.28Å; K927-L931 PolarHBondContact O-N 2.79Å; V928-L931 PolarHBondContact O-N 3.06Å; L931-Q934 CarbonylContact O-C 3.59Å; L931-Q934 WeakPolarHBondContact O-CB 3.35Å; L931-Q934 PolarHBondContact O-N 3.46Å; L931-R935 WeakPolarHBondContact O-CB 3.24Å; L931-R935 PolarHBondContact O-N 3.42Å
932	V	88	Confident	85.1	Confident	11 Å²	11	61.3 Å²	61.3	7%	0.067	31%	0.306	C	S	.	.	H	α-helix	trans	-55.1	-51.7	176.7	165.7	0	0	0	0	112.2	L853 H872 F875 K876 L879 V928 Q934 R935 D936	L853-V932 HydrophobicContact CD1-CG2 3.64Å; L853-V932 HydrophobicContact CD2-CG2 4.01Å; H872-V932 PolarHBondContact NE2-O 2.95Å; F875-V932 HydrophobicContact CE1-CG2 3.97Å; K876-V932 HydrophobicContact CD-CG1 3.51Å; K876-V932 HydrophobicContact CG-CG1 3.61Å; L879-V932 HydrophobicContact CD1-CG2 4.02Å; V928-V932 VanDerWaalsContact O-CG2 3.27Å; V928-V932 WeakPolarHBondContact O-CG2 3.17Å; V928-V932 PolarHBondContact O-N 3.41Å; V932-Q934 VanDerWaalsContact C-N 3.32Å; V932-Q934 PolarHBondContact O-N 2.82Å; V932-R935 PolarHBondContact O-N 3.49Å; V932-D936 PolarHBondContact O-N 3.48Å
933	P	85.6	Confident	85.4	Confident	74 Å²	74	61.3 Å²	61.3	48%	0.481	30%	0.304	S	S	.	.	H	α-helix	trans	-64.1	-29.2	172	-24.6	33.1	0	0	0	115	R929 Q930 D936 Q937	R929-P933 WeakPolarHBondContact O-CD 3.35Å; Q930-P933 WeakPolarHBondContact O-CD 3.49Å; P933-D936 WeakPolarHBondContact O-CB 3.47Å; P933-Q937 WeakPolarHBondContact O-CB 3.05Å; P933-Q937 PolarHBondContact O-N 3.29Å
934	Q	84.8	Confident	85.7	Confident	101 Å²	101	60.9 Å²	60.9	47%	0.472	30%	0.301	S	S	.	.	H	α-helix	trans	-72.7	-38.2	177.2	-66.7	176.4	23	0	0	111.4	Q930 L931 V932 Q937 A938	Q930-Q934 WeakPolarHBondContact O-CG 3.39Å; L931-Q934 CarbonylContact O-C 3.59Å; L931-Q934 WeakPolarHBondContact O-CB 3.35Å; L931-Q934 PolarHBondContact O-N 3.46Å; V932-Q934 VanDerWaalsContact C-N 3.32Å; V932-Q934 PolarHBondContact O-N 2.82Å; Q934-Q937 PolarHBondContact O-N 3.48Å; Q934-A938 WeakPolarHBondContact O-CB 3.16Å; Q934-A938 PolarHBondContact O-N 3.3Å
935	R	88.2	Confident	86	Confident	21 Å²	21	65.6 Å²	65.6	8%	0.079	32%	0.317	C	S	.	.	H	α-helix	trans	-67.5	-39.7	172.1	-177.8	53.2	154	-147.7	7.2	111.3	D852 L853 D855 F857 L931 V932 Q937 A938 L939	D852-R935 VanDerWaalsContact O-CZ 3.23Å; D852-R935 PolarHBondContact O-NH2 2.87Å; D852-R935 VanDerWaalsContact O-NH2 3.08Å; L853-R935 HydrophobicContact CB-CB 4.26Å; L853-R935 HydrophobicContact CB-CG 4.46Å; L853-R935 HydrophobicContact CD2-CB 3.71Å; L853-R935 HydrophobicContact CD2-CG 3.76Å; L853-R935 WeakPolarHBondContact O-CD 3.14Å; L853-R935 PolarHBondContact O-NH1 3.01Å; D855-R935 PolarHBondContact O-NH1 3.37Å; D855-R935 PolarHBondContact O-NH2 2.93Å; F857-R935 VanDerWaalsContact CD1-NH2 3.25Å; F857-R935 VanDerWaalsContact CE1-CZ 3.43Å; L931-R935 WeakPolarHBondContact O-CB 3.24Å; L931-R935 PolarHBondContact O-N 3.42Å; V932-R935 PolarHBondContact O-N 3.49Å; R935-Q937 VanDerWaalsContact C-N 3.28Å; R935-Q937 PolarHBondContact O-N 3.08Å; R935-A938 PolarHBondContact O-N 2.8Å; R935-L939 HydrophobicContact CG-CD1 3.87Å; R935-L939 HydrophobicContact CG-CG 4.38Å; R935-L939 WeakPolarHBondContact O-CB 3.42Å; R935-L939 VanDerWaalsContact O-CG 3.26Å; R935-L939 WeakPolarHBondContact O-CG 3.45Å; R935-L939 PolarHBondContact O-N 3.37Å
936	D	85.4	Confident	86	Confident	38 Å²	38	64.7 Å²	64.7	20%	0.203	31%	0.314	C	S	.	.	H	α-helix	trans	-54.3	-48.5	169.8	-75.4	-43.3	0	0	0	110.1	H872 K876 V932 P933 L939 I940	H872-D936 IonicContact CD2-OD1 3.34Å; H872-D936 PolarHBondContact CD2-OD1 3.32Å; H872-D936 IonicContact NE2-OD1 2.85Å; H872-D936 PolarHBondContact NE2-OD1 3.1Å; H872-D936 IonicContact NE2-OD2 2.79Å; K876-D936 IonicContact NZ-OD1 3.75Å; K876-D936 PolarHBondContact NZ-OD1 3.47Å; K876-D936 IonicContact NZ-OD2 3.45Å; K876-D936 PolarHBondContact NZ-OD2 2.9Å; V932-D936 PolarHBondContact O-N 3.48Å; P933-D936 WeakPolarHBondContact O-CB 3.47Å; D936-L939 PolarHBondContact O-N 3.31Å; D936-I940 WeakPolarHBondContact O-CB 3.35Å; D936-I940 WeakPolarHBondContact O-CD1 3.34Å; D936-I940 WeakPolarHBondContact O-CG1 3.26Å; D936-I940 PolarHBondContact O-N 2.87Å
937	Q	85.9	Confident	86.1	Confident	92 Å²	92	65.9 Å²	65.9	43%	0.43	32%	0.317	S	S	.	.	H	α-helix	trans	-64.8	-42.8	178.9	-174.9	59.5	34.1	0	0	112.8	P933 Q934 R935 I940 E941	P933-Q937 WeakPolarHBondContact O-CB 3.05Å; P933-Q937 PolarHBondContact O-N 3.29Å; Q934-Q937 PolarHBondContact O-N 3.48Å; R935-Q937 VanDerWaalsContact C-N 3.28Å; R935-Q937 PolarHBondContact O-N 3.08Å; Q937-I940 WeakPolarHBondContact O-CB 2.96Å; Q937-I940 PolarHBondContact O-N 2.95Å; Q937-E941 WeakPolarHBondContact CG-OE1 3.35Å; Q937-E941 PolarHBondContact NE2-OE1 2.73Å; Q937-E941 WeakPolarHBondContact O-CB 3.41Å; Q937-E941 WeakPolarHBondContact O-CG 3.41Å; Q937-E941 PolarHBondContact O-N 3.18Å
938	A	85.5	Confident	86.5	Confident	36 Å²	36	64.5 Å²	64.5	30%	0.298	32%	0.315	S	S	.	.	H	α-helix	trans	-64.7	-39.5	177.2	0	0	0	0	0	112.4	Q934 R935 E941 E942	Q934-A938 WeakPolarHBondContact O-CB 3.16Å; Q934-A938 PolarHBondContact O-N 3.3Å; R935-A938 PolarHBondContact O-N 2.8Å; A938-E941 PolarHBondContact O-N 3.07Å; A938-E942 WeakPolarHBondContact O-CB 3.17Å; A938-E942 PolarHBondContact O-N 3.4Å
939	L	87.8	Confident	86.7	Confident	6 Å²	6	65.1 Å²	65.1	3%	0.031	32%	0.318	C	S	.	.	H	α-helix	trans	-67.1	-37.2	173.7	-70.7	165.6	0	0	0	111.2	F857 I865 L868 H872 R935 D936 H943	F857-L939 HydrophobicContact CE1-CD2 3.97Å; F857-L939 HydrophobicContact CE2-CD2 3.95Å; F857-L939 HydrophobicContact CZ-CD2 3.55Å; F857-L939 HydrophobicContact CZ-CG 4.19Å; I865-L939 HydrophobicContact CD1-CD2 3.63Å; L868-L939 HydrophobicContact CB-CD2 3.84Å; H872-L939 HydrophobicContact CB-CD1 3.6Å; R935-L939 HydrophobicContact CG-CD1 3.87Å; R935-L939 HydrophobicContact CG-CG 4.38Å; R935-L939 WeakPolarHBondContact O-CB 3.42Å; R935-L939 VanDerWaalsContact O-CG 3.26Å; R935-L939 WeakPolarHBondContact O-CG 3.45Å; R935-L939 PolarHBondContact O-N 3.37Å; D936-L939 PolarHBondContact O-N 3.31Å; L939-H943 WeakPolarHBondContact O-CB 3.32Å; L939-H943 PolarHBondContact O-N 2.93Å
940	I	88.1	Confident	86.7	Confident	99 Å²	99	57.9 Å²	57.9	51%	0.508	29%	0.291	S	S	.	.	H	α-helix	trans	-65.3	-43.3	173.6	-71.3	162.6	0	0	0	111.2	D936 Q937 H943 A944	D936-I940 WeakPolarHBondContact O-CB 3.35Å; D936-I940 WeakPolarHBondContact O-CD1 3.34Å; D936-I940 WeakPolarHBondContact O-CG1 3.26Å; D936-I940 PolarHBondContact O-N 2.87Å; Q937-I940 WeakPolarHBondContact O-CB 2.96Å; Q937-I940 PolarHBondContact O-N 2.95Å; I940-H943 PolarHBondContact O-N 2.89Å; I940-A944 VanDerWaalsContact O-CB 3.29Å; I940-A944 WeakPolarHBondContact O-CB 3.31Å; I940-A944 PolarHBondContact O-N 3.38Å
941	E	86	Confident	87	Confident	109 Å²	109	60 Å²	60	51%	0.509	29%	0.294	S	S	.	.	H	α-helix	trans	-66.3	-43.9	178.9	-77.1	172.9	-164.3	0	0	111.9	Q937 A938 A944 R945	Q937-E941 WeakPolarHBondContact CG-OE1 3.35Å; Q937-E941 PolarHBondContact NE2-OE1 2.73Å; Q937-E941 WeakPolarHBondContact O-CB 3.41Å; Q937-E941 WeakPolarHBondContact O-CG 3.41Å; Q937-E941 PolarHBondContact O-N 3.18Å; A938-E941 PolarHBondContact O-N 3.07Å; E941-A944 PolarHBondContact O-N 3.34Å; E941-R945 WeakPolarHBondContact O-CB 3.45Å; E941-R945 PolarHBondContact O-N 3.07Å
942	E	85.9	Confident	87.2	Confident	20 Å²	20	60.3 Å²	60.3	9%	0.093	30%	0.296	C	S	.	.	H	α-helix	trans	-70.1	-37	175.2	-169.8	59.2	-147.2	0	0	111.1	F857 V859 I865 A938 A944 R945 Q946	F857-E942 HydrophobicContact CD2-CG 4.31Å; F857-E942 HydrophobicContact CE2-CB 3.67Å; F857-E942 HydrophobicContact CE2-CG 3.62Å; F857-E942 HydrophobicContact CZ-CB 4.11Å; V859-E942 HydrophobicContact CG2-CG 3.35Å; V859-E942 WeakPolarHBondContact CG2-OE1 3.02Å; I865-E942 HydrophobicContact CD1-CB 4.04Å; I865-E942 HydrophobicContact CD1-CG 4.08Å; I865-E942 HydrophobicContact CG1-CB 4.41Å; I865-E942 HydrophobicContact CG1-CG 4.4Å; A938-E942 WeakPolarHBondContact O-CB 3.17Å; A938-E942 PolarHBondContact O-N 3.4Å; E942-A944 VanDerWaalsContact C-N 3.3Å; E942-A944 PolarHBondContact O-N 3.31Å; E942-R945 WeakPolarHBondContact O-CB 3.27Å; E942-R945 PolarHBondContact O-N 3.41Å; E942-R945 VanDerWaalsContact O-N 3.17Å; E942-R945 IonicContact OE1-NH1 2.65Å; E942-R945 IonicContact OE2-CZ 3.26Å; E942-R945 IonicContact OE2-NE 3.55Å; E942-R945 PolarHBondContact OE2-NE 3.16Å; E942-R945 IonicContact OE2-NH1 2.81Å; E942-R945 PolarHBondContact OE2-NH1 3.48Å; E942-R945 IonicContact OE2-NH2 3.16Å; E942-Q946 HydrophobicContact CG-CG 4.44Å; E942-Q946 WeakPolarHBondContact O-CG 3.2Å; E942-Q946 PolarHBondContact O-N 3Å; E942-Q946 PolarHBondContact OE1-NE2 3.04Å
943	H	88.1	Confident	87.2	Confident	51 Å²	51	60.6 Å²	60.6	24%	0.236	30%	0.296	C	S	.	.	H	α-helix	trans	-61.2	-41.4	172	-175.4	-76.3	0	0	0	110.9	I865 L939 I940 Q946 Q947	I865-H943 HydrophobicContact CG1-CB 3.9Å; I865-H943 HydrophobicContact CG2-CB 4.42Å; L939-H943 WeakPolarHBondContact O-CB 3.32Å; L939-H943 PolarHBondContact O-N 2.93Å; I940-H943 PolarHBondContact O-N 2.89Å; H943-Q946 PolarHBondContact O-N 3.2Å; H943-Q947 WeakPolarHBondContact O-CB 3.45Å; H943-Q947 PolarHBondContact O-N 3.25Å
944	A	85.8	Confident	87.5	Confident	48 Å²	48	63.7 Å²	63.7	40%	0.397	30%	0.298	S	S	.	.	H	α-helix	trans	-65.3	-38.3	174.4	0	0	0	0	0	111.9	I940 E941 E942 Q947 N948	I940-A944 VanDerWaalsContact O-CB 3.29Å; I940-A944 WeakPolarHBondContact O-CB 3.31Å; I940-A944 PolarHBondContact O-N 3.38Å; E941-A944 PolarHBondContact O-N 3.34Å; E942-A944 VanDerWaalsContact C-N 3.3Å; E942-A944 PolarHBondContact O-N 3.31Å; A944-Q947 PolarHBondContact O-N 2.62Å; A944-N948 WeakPolarHBondContact O-CB 3.03Å; A944-N948 PolarHBondContact O-N 3.37Å
945	R	86.6	Confident	87.7	Confident	144 Å²	144	62.2 Å²	62.2	54%	0.543	29%	0.291	S	S	.	.	H	α-helix	trans	-63.3	-49.8	173.9	-169.8	-173	-60	169.1	-0.6	111.3	E941 E942 Q947 N948 N949	E941-R945 WeakPolarHBondContact O-CB 3.45Å; E941-R945 PolarHBondContact O-N 3.07Å; E942-R945 WeakPolarHBondContact O-CB 3.27Å; E942-R945 PolarHBondContact O-N 3.41Å; E942-R945 VanDerWaalsContact O-N 3.17Å; E942-R945 IonicContact OE1-NH1 2.65Å; E942-R945 IonicContact OE2-CZ 3.26Å; E942-R945 IonicContact OE2-NE 3.55Å; E942-R945 PolarHBondContact OE2-NE 3.16Å; E942-R945 IonicContact OE2-NH1 2.81Å; E942-R945 PolarHBondContact OE2-NH1 3.48Å; E942-R945 IonicContact OE2-NH2 3.16Å; R945-Q947 VanDerWaalsContact C-N 3.31Å; R945-Q947 PolarHBondContact O-N 3.32Å; R945-N948 CarbonylContact O-C 3.59Å; R945-N948 WeakPolarHBondContact O-CB 3.1Å; R945-N948 PolarHBondContact O-N 3.48Å; R945-N948 VanDerWaalsContact O-N 3.13Å; R945-N949 WeakPolarHBondContact O-CB 3.46Å; R945-N949 PolarHBondContact O-N 2.82Å; R945-N949 PolarHBondContact O-OD1 2.98Å
946	Q	86.6	Confident	87.8	Confident	7 Å²	7	61.6 Å²	61.6	3%	0.033	29%	0.289	C	S	.	.	H	α-helix	trans	-65.5	-34.5	177.5	-63.9	-55.3	-34.1	0	0	112.2	V859 I862 I865 E942 H943 N949 E950	V859-Q946 HydrophobicContact CG2-CG 3.81Å; V859-Q946 PolarHBondContact O-NE2 2.98Å; I862-Q946 HydrophobicContact CG1-CB 3.99Å; I865-Q946 HydrophobicContact CG2-CB 4.14Å; I865-Q946 HydrophobicContact CG2-CG 4.19Å; E942-Q946 HydrophobicContact CG-CG 4.44Å; E942-Q946 WeakPolarHBondContact O-CG 3.2Å; E942-Q946 PolarHBondContact O-N 3Å; E942-Q946 PolarHBondContact OE1-NE2 3.04Å; H943-Q946 PolarHBondContact O-N 3.2Å; Q946-N949 PolarHBondContact O-N 3.12Å; Q946-E950 WeakPolarHBondContact O-CB 3.15Å; Q946-E950 PolarHBondContact O-N 2.98Å
947	Q	87.3	Confident	88.1	Confident	116 Å²	116	59.9 Å²	59.9	54%	0.542	28%	0.28	S	S	.	.	H	α-helix	trans	-65.9	-39	171.8	-170.7	176.6	11	0	0	112	H943 A944 R945 R951	H943-Q947 WeakPolarHBondContact O-CB 3.45Å; H943-Q947 PolarHBondContact O-N 3.25Å; A944-Q947 PolarHBondContact O-N 2.62Å; R945-Q947 VanDerWaalsContact C-N 3.31Å; R945-Q947 PolarHBondContact O-N 3.32Å; Q947-R951 WeakPolarHBondContact O-CB 3.44Å; Q947-R951 PolarHBondContact O-N 3.49Å
948	N	88.7	Confident	88.4	Confident	76 Å²	76	60 Å²	60	41%	0.406	29%	0.287	S	S	.	.	H	α-helix	trans	-67.1	-41.5	172.4	-172.5	61.8	0	0	0	111.6	A944 R945 E950 R951 L952	A944-N948 WeakPolarHBondContact O-CB 3.03Å; A944-N948 PolarHBondContact O-N 3.37Å; R945-N948 CarbonylContact O-C 3.59Å; R945-N948 WeakPolarHBondContact O-CB 3.1Å; R945-N948 PolarHBondContact O-N 3.48Å; R945-N948 VanDerWaalsContact O-N 3.13Å; N948-E950 PolarHBondContact O-N 3.45Å; N948-R951 CarbonylContact O-C 3.45Å; N948-R951 WeakPolarHBondContact O-CA 3.25Å; N948-R951 WeakPolarHBondContact O-CB 3.44Å; N948-R951 PolarHBondContact O-N 3.47Å; N948-R951 VanDerWaalsContact O-N 3.11Å; N948-L952 WeakPolarHBondContact O-CG 3.31Å; N948-L952 PolarHBondContact O-N 3.35Å
949	N	89.1	Confident	88.6	Confident	14 Å²	14	60.4 Å²	60.4	8%	0.075	28%	0.283	C	S	.	.	H	α-helix	trans	-61.3	-45.1	176.7	-69.4	-3.6	0	0	0	111.3	R945 Q946 R951 L952 R953 I1021	R945-N949 WeakPolarHBondContact O-CB 3.46Å; R945-N949 PolarHBondContact O-N 2.82Å; R945-N949 PolarHBondContact O-OD1 2.98Å; Q946-N949 PolarHBondContact O-N 3.12Å; N949-R951 VanDerWaalsContact C-N 3.33Å; N949-R951 PolarHBondContact O-N 3.02Å; N949-L952 PolarHBondContact O-N 3.06Å; N949-R953 WeakPolarHBondContact O-CG 3.43Å; N949-R953 PolarHBondContact O-N 3.14Å; N949-I1021 HydrophobicContact CB-CD1 3.48Å; N949-I1021 VanDerWaalsContact CB-CD1 3.48Å; N949-I1021 HydrophobicContact CB-CG1 4.09Å
950	E	88.6	Confident	88.7	Confident	20 Å²	20	60.1 Å²	60.1	9%	0.093	28%	0.281	C	S	.	.	H	α-helix	trans	-63.9	-36.7	172.7	178.9	67.5	-172.4	0	0	112.2	I862 Q946 N948 R953 R954 H1026	I862-E950 HydrophobicContact CD1-CB 3.39Å; I862-E950 HydrophobicContact CD1-CG 3.64Å; I862-E950 HydrophobicContact CG1-CB 4.3Å; Q946-E950 WeakPolarHBondContact O-CB 3.15Å; Q946-E950 PolarHBondContact O-N 2.98Å; N948-E950 PolarHBondContact O-N 3.45Å; E950-R953 PolarHBondContact O-N 3.07Å; E950-R954 WeakPolarHBondContact O-CB 3.42Å; E950-R954 WeakPolarHBondContact O-CG 3.31Å; E950-R954 PolarHBondContact O-N 3.44Å; E950-R954 IonicContact OE1-CZ 2.73Å; E950-R954 IonicContact OE1-NE 2.67Å; E950-R954 PolarHBondContact OE1-NE 3.46Å; E950-R954 IonicContact OE1-NH2 2.76Å; E950-R954 PolarHBondContact OE1-NH2 2.94Å; E950-H1026 VanDerWaalsContact CD-NE2 3.34Å; E950-H1026 IonicContact OE1-CD2 3.63Å; E950-H1026 IonicContact OE1-CE1 2.98Å; E950-H1026 PolarHBondContact OE1-CE1 3.32Å; E950-H1026 IonicContact OE1-NE2 2.6Å; E950-H1026 PolarHBondContact OE1-NE2 3.39Å; E950-H1026 IonicContact OE2-NE2 2.93Å; E950-H1026 PolarHBondContact OE2-NE2 3.25Å
951	R	89.9	Confident	88.9	Confident	167 Å²	167	58.7 Å²	58.7	63%	0.63	28%	0.275	S	S	*	.	H	α-helix	trans	-63.5	-45.4	173.6	-178.7	-176.2	175.1	178.4	-0.7	111.4	Q947 N948 N949 R954 Q955	Q947-R951 WeakPolarHBondContact O-CB 3.44Å; Q947-R951 PolarHBondContact O-N 3.49Å; N948-R951 CarbonylContact O-C 3.45Å; N948-R951 WeakPolarHBondContact O-CA 3.25Å; N948-R951 WeakPolarHBondContact O-CB 3.44Å; N948-R951 PolarHBondContact O-N 3.47Å; N948-R951 VanDerWaalsContact O-N 3.11Å; N949-R951 VanDerWaalsContact C-N 3.33Å; N949-R951 PolarHBondContact O-N 3.02Å; R951-R954 PolarHBondContact O-N 2.92Å; R951-Q955 VanDerWaalsContact O-CB 3.27Å; R951-Q955 WeakPolarHBondContact O-CB 3.47Å; R951-Q955 PolarHBondContact O-N 3.22Å
952	L	88.9	Confident	89.2	Confident	16 Å²	16	57.6 Å²	57.6	8%	0.084	28%	0.275	C	S	.	.	H	α-helix	trans	-62.3	-46.2	176.3	-71.5	174	0	0	0	110.9	N948 N949 R954 Q955 F956 L1015 I1016 A1019 I1021	N948-L952 WeakPolarHBondContact O-CG 3.31Å; N948-L952 PolarHBondContact O-N 3.35Å; N949-L952 PolarHBondContact O-N 3.06Å; L952-R954 VanDerWaalsContact C-N 3.32Å; L952-R954 PolarHBondContact O-N 3.22Å; L952-Q955 PolarHBondContact O-N 3.5Å; L952-F956 PolarHBondContact O-N 2.88Å; L952-L1015 HydrophobicContact CD2-CB 4.04Å; L952-L1015 HydrophobicContact CD2-CD1 4.31Å; L952-I1016 HydrophobicContact CB-CG1 3.9Å; L952-A1019 HydrophobicContact CD1-CB 4.07Å; L952-I1021 HydrophobicContact CB-CD1 4.46Å; L952-I1021 HydrophobicContact CD1-CD1 4.44Å
953	R	89.1	Confident	89.5	Confident	17 Å²	17	56.8 Å²	56.8	6%	0.064	27%	0.271	C	S	.	.	H	α-helix	trans	-54.3	-47.6	173.1	-73.4	178.8	178.3	127	-5.4	111.2	N949 E950 A957 I1021 D1023 N1024	N949-R953 WeakPolarHBondContact O-CG 3.43Å; N949-R953 PolarHBondContact O-N 3.14Å; E950-R953 PolarHBondContact O-N 3.07Å; R953-A957 WeakPolarHBondContact O-CB 3.43Å; R953-A957 PolarHBondContact O-N 3.25Å; R953-I1021 HydrophobicContact CG-CG2 3.83Å; R953-I1021 VanDerWaalsContact NE-CG2 3.29Å; R953-D1023 IonicContact CZ-OD1 2.68Å; R953-D1023 PolarHBondContact NE-O 2.81Å; R953-D1023 IonicContact NE-OD1 2.69Å; R953-D1023 IonicContact NH2-OD1 3.08Å; R953-D1023 PolarHBondContact NH2-OD1 3.07Å; R953-D1023 IonicContact NH2-OD2 2.7Å; R953-N1024 PolarHBondContact O-ND2 2.81Å; R953-N1024 PolarHBondContact O-OD1 3.13Å
954	R	90.4	Very high	89.5	Confident	139 Å²	139	54.6 Å²	54.6	53%	0.525	26%	0.263	S	S	.	.	H	α-helix	trans	-68	-38	177.7	-73.2	-178.7	-172.2	-160	1.9	113.2	E950 R951 L952 A957 T958	E950-R954 WeakPolarHBondContact O-CB 3.42Å; E950-R954 WeakPolarHBondContact O-CG 3.31Å; E950-R954 PolarHBondContact O-N 3.44Å; E950-R954 IonicContact OE1-CZ 2.73Å; E950-R954 IonicContact OE1-NE 2.67Å; E950-R954 PolarHBondContact OE1-NE 3.46Å; E950-R954 IonicContact OE1-NH2 2.76Å; E950-R954 PolarHBondContact OE1-NH2 2.94Å; R951-R954 PolarHBondContact O-N 2.92Å; L952-R954 VanDerWaalsContact C-N 3.32Å; L952-R954 PolarHBondContact O-N 3.22Å; R954-A957 PolarHBondContact O-N 3.09Å; R954-T958 VanDerWaalsContact O-CB 3.29Å; R954-T958 WeakPolarHBondContact O-CB 3.45Å; R954-T958 PolarHBondContact O-N 2.74Å; R954-T958 PolarHBondContact O-OG1 3.44Å
955	Q	89.8	Confident	89.8	Confident	71 Å²	71	54.5 Å²	54.5	33%	0.332	26%	0.258	S	S	.	.	H	α-helix	trans	-63.6	-52.7	179.4	178.1	171.1	-22.7	0	0	110.4	R951 L952 A957 T958 Q959 D1012	R951-Q955 VanDerWaalsContact O-CB 3.27Å; R951-Q955 WeakPolarHBondContact O-CB 3.47Å; R951-Q955 PolarHBondContact O-N 3.22Å; L952-Q955 PolarHBondContact O-N 3.5Å; Q955-A957 VanDerWaalsContact C-N 3.34Å; Q955-A957 PolarHBondContact O-N 2.94Å; Q955-T958 PolarHBondContact O-N 3.21Å; Q955-Q959 PolarHBondContact O-N 3.16Å; Q955-Q959 VanDerWaalsContact O-N 3.14Å; Q955-D1012 PolarHBondContact NE2-OD1 3Å
956	F	91.5	Very high	90	Very high	7 Å²	7	49.8 Å²	49.8	3%	0.031	24%	0.24	C	C	.	.	H	α-helix	trans	-57.1	-47.7	173.1	178.5	-87.1	0	0	0	111.3	L952 T958 Q959 A960 L1009 D1012 H1013 I1016 N1024 T1027 M1031	L952-F956 PolarHBondContact O-N 2.88Å; F956-T958 PolarHBondContact O-N 3.07Å; F956-Q959 PolarHBondContact O-N 2.63Å; F956-A960 HydrophobicContact CD1-CB 4.26Å; F956-A960 HydrophobicContact CE1-CB 3.97Å; F956-A960 HydrophobicContact CZ-CB 4.38Å; F956-A960 VanDerWaalsContact O-CB 3.23Å; F956-A960 WeakPolarHBondContact O-CB 3.34Å; F956-A960 PolarHBondContact O-N 3.14Å; F956-L1009 HydrophobicContact CD2-CD1 3.54Å; F956-L1009 HydrophobicContact CD2-CG 4.11Å; F956-L1009 HydrophobicContact CE2-CD1 3.66Å; F956-L1009 HydrophobicContact CE2-CD2 4.34Å; F956-L1009 HydrophobicContact CE2-CG 3.8Å; F956-L1009 HydrophobicContact CG-CD1 4.09Å; F956-L1009 HydrophobicContact CZ-CD1 4.31Å; F956-L1009 WeakPolarHBondContact O-CD1 3.5Å; F956-D1012 HydrophobicContact CB-CB 4.41Å; F956-D1012 HydrophobicContact CD2-CB 4.31Å; F956-H1013 HydrophobicContact CD2-CB 4.1Å; F956-H1013 HydrophobicContact CE2-CB 3.77Å; F956-H1013 AromaticContact CE2-ND1 3.86Å; F956-I1016 HydrophobicContact CB-CD1 3.3Å; F956-I1016 HydrophobicContact CD1-CD1 4.42Å; F956-I1016 HydrophobicContact CD2-CD1 4.12Å; F956-I1016 HydrophobicContact CG-CD1 3.7Å; F956-N1024 WeakPolarHBondContact CD1-ND2 3.34Å; F956-T1027 HydrophobicContact CD1-CG2 4.07Å; F956-T1027 HydrophobicContact CE1-CG2 4.03Å; F956-M1031 HydrophobicContact CE2-CB 4.36Å; F956-M1031 HydrophobicContact CE2-SD 3.93Å; F956-M1031 HydrophobicContact CZ-CB 4.19Å; F956-M1031 HydrophobicContact CZ-SD 4.3Å
957	A	90.1	Very high	90.2	Very high	2 Å²	2	49.8 Å²	49.8	2%	0.017	24%	0.241	C	C	.	.	H	α-helix	trans	-63.2	-39.8	-179.4	0	0	0	0	0	113.1	R953 R954 Q955 Q959 A960 N961 H1026 T1027	R953-A957 WeakPolarHBondContact O-CB 3.43Å; R953-A957 PolarHBondContact O-N 3.25Å; R954-A957 PolarHBondContact O-N 3.09Å; Q955-A957 VanDerWaalsContact C-N 3.34Å; Q955-A957 PolarHBondContact O-N 2.94Å; A957-Q959 VanDerWaalsContact C-N 3.3Å; A957-Q959 PolarHBondContact O-N 3.26Å; A957-A960 PolarHBondContact O-N 3.3Å; A957-N961 WeakPolarHBondContact O-CB 3.34Å; A957-N961 PolarHBondContact O-N 2.99Å; A957-N961 PolarHBondContact O-ND2 3.36Å; A957-N961 VanDerWaalsContact O-ND2 3.08Å; A957-H1026 HydrophobicContact CB-CB 3.41Å; A957-H1026 VanDerWaalsContact CB-CB 3.41Å; A957-T1027 HydrophobicContact CB-CG2 3.85Å
958	T	92.1	Very high	90.2	Very high	95 Å²	95	49.1 Å²	49.1	58%	0.583	24%	0.237	S	C	*	.	H	α-helix	trans	-62.6	-41.4	178.3	-56.2	0	0	0	0	110.5	R954 Q955 F956 V962	R954-T958 VanDerWaalsContact O-CB 3.29Å; R954-T958 WeakPolarHBondContact O-CB 3.45Å; R954-T958 PolarHBondContact O-N 2.74Å; R954-T958 PolarHBondContact O-OG1 3.44Å; Q955-T958 PolarHBondContact O-N 3.21Å; F956-T958 PolarHBondContact O-N 3.07Å; T958-V962 WeakPolarHBondContact O-CG2 3.3Å
959	Q	89.9	Confident	90.2	Very high	45 Å²	45	48.4 Å²	48.4	21%	0.21	24%	0.236	C	C	.	.	H	α-helix	trans	-71.7	-50.7	175.9	-66.7	-139.9	55.4	0	0	111.7	Q955 F956 A957 N961 V962 I963 L1009 D1012	Q955-Q959 PolarHBondContact O-N 3.16Å; Q955-Q959 VanDerWaalsContact O-N 3.14Å; F956-Q959 PolarHBondContact O-N 2.63Å; A957-Q959 VanDerWaalsContact C-N 3.3Å; A957-Q959 PolarHBondContact O-N 3.26Å; Q959-N961 VanDerWaalsContact C-N 3.32Å; Q959-N961 PolarHBondContact O-N 3.34Å; Q959-V962 PolarHBondContact O-N 2.78Å; Q959-I963 HydrophobicContact CB-CD1 4.18Å; Q959-I963 WeakPolarHBondContact O-CB 3.44Å; Q959-I963 VanDerWaalsContact O-CG1 3.24Å; Q959-I963 WeakPolarHBondContact O-CG1 3.49Å; Q959-I963 PolarHBondContact O-N 3.35Å; Q959-L1009 HydrophobicContact CB-CD1 3.56Å; Q959-D1012 PolarHBondContact NE2-OD2 3.27Å
960	A	90.1	Very high	90.1	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-60.2	-38.8	-178.5	0	0	0	0	0	112.6	F956 A957 V962 I963 G964 L1009	F956-A960 HydrophobicContact CD1-CB 4.26Å; F956-A960 HydrophobicContact CE1-CB 3.97Å; F956-A960 HydrophobicContact CZ-CB 4.38Å; F956-A960 VanDerWaalsContact O-CB 3.23Å; F956-A960 WeakPolarHBondContact O-CB 3.34Å; F956-A960 PolarHBondContact O-N 3.14Å; A957-A960 PolarHBondContact O-N 3.3Å; A960-V962 PolarHBondContact O-N 3.17Å; A960-I963 PolarHBondContact O-N 3.07Å; A960-G964 PolarHBondContact O-N 3.42Å; A960-L1009 HydrophobicContact CB-CD1 4.08Å; A960-L1009 HydrophobicContact CB-CD2 4.28Å
961	N	92.2	Very high	90	Very high	69 Å²	69	50 Å²	50	37%	0.369	24%	0.243	S	C	.	.	H	α-helix	trans	-69.9	-15.5	177.3	-70.7	-24.2	0	0	0	113.6	A957 Q959 P965 H1026 T1027	A957-N961 WeakPolarHBondContact O-CB 3.34Å; A957-N961 PolarHBondContact O-N 2.99Å; A957-N961 PolarHBondContact O-ND2 3.36Å; A957-N961 VanDerWaalsContact O-ND2 3.08Å; Q959-N961 VanDerWaalsContact C-N 3.32Å; Q959-N961 PolarHBondContact O-N 3.34Å; N961-P965 WeakPolarHBondContact O-CD 3.47Å; N961-P965 VanDerWaalsContact O-CG 3.25Å; N961-P965 WeakPolarHBondContact O-CG 3.49Å; N961-H1026 PolarHBondContact ND2-O 3.02Å; N961-T1027 VanDerWaalsContact OD1-CB 3.24Å; N961-T1027 WeakPolarHBondContact OD1-CB 3.23Å; N961-T1027 PolarHBondContact OD1-OG1 3.12Å
962	V	92.2	Very high	89.7	Confident	86 Å²	86	46.7 Å²	46.7	52%	0.521	24%	0.235	S	C	.	.	H	α-helix	trans	-93.6	-42.9	171.2	174.7	0	0	0	0	110.2	T958 Q959 A960 W966	T958-V962 WeakPolarHBondContact O-CG2 3.3Å; Q959-V962 PolarHBondContact O-N 2.78Å; A960-V962 PolarHBondContact O-N 3.17Å; V962-W966 WeakPolarHBondContact O-CB 3.29Å; V962-W966 PolarHBondContact O-N 2.57Å; V962-W966 VanDerWaalsContact O-N 3.14Å
963	I	92.6	Very high	89.4	Confident	2 Å²	2	48.1 Å²	48.1	1%	0.01	24%	0.241	C	C	.	.	H	α-helix	trans	-67.8	-47	-176.5	-67.1	166.9	0	0	0	111.2	Q959 A960 W966 I967 Y1002 I1006 L1009 I1034	Q959-I963 HydrophobicContact CB-CD1 4.18Å; Q959-I963 WeakPolarHBondContact O-CB 3.44Å; Q959-I963 VanDerWaalsContact O-CG1 3.24Å; Q959-I963 WeakPolarHBondContact O-CG1 3.49Å; Q959-I963 PolarHBondContact O-N 3.35Å; A960-I963 PolarHBondContact O-N 3.07Å; I963-W966 WeakPolarHBondContact O-CB 3.06Å; I963-W966 PolarHBondContact O-N 3.38Å; I963-W966 VanDerWaalsContact O-N 3.16Å; I963-I967 HydrophobicContact CG2-CD1 3.76Å; I963-I967 HydrophobicContact CG2-CG1 4.29Å; I963-I967 WeakPolarHBondContact O-CG1 3.28Å; I963-I967 PolarHBondContact O-N 3.44Å; I963-Y1002 HydrophobicContact CG1-CE1 4.09Å; I963-I1006 HydrophobicContact CD1-CD1 4.42Å; I963-I1006 HydrophobicContact CG2-CD1 3.32Å; I963-L1009 HydrophobicContact CD1-CB 3.87Å; I963-L1009 HydrophobicContact CD1-CD1 4.44Å; I963-L1009 HydrophobicContact CD1-CD2 3.83Å; I963-L1009 HydrophobicContact CD1-CG 4.26Å; I963-I1034 HydrophobicContact CG2-CD1 4.23Å; I963-I1034 HydrophobicContact CG2-CG2 3.75Å
964	G	88.4	Confident	89.2	Confident	5 Å²	5	47.3 Å²	47.3	5%	0.052	24%	0.238	C	C	.	.	H	α-helix	trans	-55.9	-56.6	-178.8	0	0	0	0	0	112.7	A960 W966 I967 Q968	A960-G964 PolarHBondContact O-N 3.42Å; G964-W966 VanDerWaalsContact C-N 3.29Å; G964-W966 PolarHBondContact O-N 3.18Å; G964-I967 PolarHBondContact O-N 3.13Å; G964-Q968 PolarHBondContact O-N 3.4Å
965	P	90.9	Very high	88.3	Confident	47 Å²	47	42.2 Å²	42.2	31%	0.305	23%	0.229	S	C	.	.	H	α-helix	trans	-62.8	-32.2	175.1	-25.7	36.8	0	0	0	113.7	N961 Q968 T969 Y1029	N961-P965 WeakPolarHBondContact O-CD 3.47Å; N961-P965 VanDerWaalsContact O-CG 3.25Å; N961-P965 WeakPolarHBondContact O-CG 3.49Å; P965-Q968 PolarHBondContact O-N 3.06Å; P965-T969 WeakPolarHBondContact O-CB 3.33Å; P965-T969 PolarHBondContact O-N 2.9Å; P965-T969 PolarHBondContact O-OG1 3.31Å; P965-Y1029 HydrophobicContact CG-CE2 4.26Å
966	W	92.4	Very high	87.6	Confident	44 Å²	44	43.9 Å²	43.9	17%	0.167	23%	0.232	C	C	.	.	H	α-helix	trans	-64.7	-42.7	175.3	-178.1	92.7	0	0	0	111.7	V962 I963 G964 T969 K970 I999 Y1002 W1038 L1041	V962-W966 WeakPolarHBondContact O-CB 3.29Å; V962-W966 PolarHBondContact O-N 2.57Å; V962-W966 VanDerWaalsContact O-N 3.14Å; I963-W966 WeakPolarHBondContact O-CB 3.06Å; I963-W966 PolarHBondContact O-N 3.38Å; I963-W966 VanDerWaalsContact O-N 3.16Å; G964-W966 VanDerWaalsContact C-N 3.29Å; G964-W966 PolarHBondContact O-N 3.18Å; W966-T969 PolarHBondContact O-N 3.11Å; W966-K970 HydrophobicContact CD2-CG 4.07Å; W966-K970 HydrophobicContact CE3-CG 4.22Å; W966-K970 HydrophobicContact CH2-CG 3.92Å; W966-K970 HydrophobicContact CZ2-CD 4.27Å; W966-K970 HydrophobicContact CZ2-CG 3.78Å; W966-K970 HydrophobicContact CZ3-CG 4.12Å; W966-K970 WeakPolarHBondContact O-CB 3.29Å; W966-K970 WeakPolarHBondContact O-CG 3.46Å; W966-K970 PolarHBondContact O-N 3.42Å; W966-I999 HydrophobicContact CH2-CB 4.47Å; W966-I999 HydrophobicContact CH2-CG1 3.91Å; W966-Y1002 AromaticContact CD1-CE2 3.91Å; W966-Y1002 HydrophobicContact CD2-CD1 4.16Å; W966-Y1002 HydrophobicContact CD2-CD2 4.17Å; W966-Y1002 AromaticContact CD2-CE1 3.97Å; W966-Y1002 HydrophobicContact CD2-CE1 3.97Å; W966-Y1002 AromaticContact CD2-CE2 3.95Å; W966-Y1002 HydrophobicContact CD2-CE2 3.95Å; W966-Y1002 HydrophobicContact CD2-CG 4.26Å; W966-Y1002 AromaticContact CD2-CZ 3.85Å; W966-Y1002 AromaticContact CE2-CD2 3.6Å; W966-Y1002 AromaticContact CE2-CE2 3.66Å; W966-Y1002 AromaticContact CE2-CG 3.94Å; W966-Y1002 AromaticContact CE3-CD1 3.97Å; W966-Y1002 HydrophobicContact CE3-CD1 3.97Å; W966-Y1002 HydrophobicContact CE3-CE1 4.02Å; W966-Y1002 HydrophobicContact CE3-CG 4.31Å; W966-Y1002 HydrophobicContact CG-CE1 4.33Å; W966-Y1002 HydrophobicContact CG-CE2 4.11Å; W966-Y1002 AromaticContact CG-CZ 3.87Å; W966-Y1002 HydrophobicContact CH2-CD1 4.17Å; W966-Y1002 HydrophobicContact CH2-CD2 4.21Å; W966-Y1002 AromaticContact CH2-CG 3.79Å; W966-Y1002 HydrophobicContact CH2-CG 3.79Å; W966-Y1002 HydrophobicContact CZ2-CD1 4.32Å; W966-Y1002 AromaticContact CZ2-CD2 3.6Å; W966-Y1002 HydrophobicContact CZ2-CD2 3.6Å; W966-Y1002 HydrophobicContact CZ2-CE2 4.17Å; W966-Y1002 AromaticContact CZ2-CG 3.68Å; W966-Y1002 HydrophobicContact CZ2-CG 3.68Å; W966-Y1002 HydrophobicContact CZ3-CD1 4.02Å; W966-Y1002 HydrophobicContact CZ3-CG 4.12Å; W966-Y1002 AromaticContact NE1-CD2 3.9Å; W966-Y1002 AromaticContact NE1-CE2 3.61Å; W966-W1038 HydrophobicContact CE3-CZ3 4.42Å; W966-W1038 HydrophobicContact CH2-CZ3 4.18Å; W966-W1038 HydrophobicContact CZ3-CE3 4.35Å; W966-W1038 HydrophobicContact CZ3-CH2 4.41Å; W966-W1038 AromaticContact CZ3-CZ3 3.56Å; W966-W1038 HydrophobicContact CZ3-CZ3 3.56Å; W966-L1041 HydrophobicContact CZ3-CD2 3.85Å
967	I	90.3	Very high	86.7	Confident	8 Å²	8	44.9 Å²	44.9	4%	0.041	24%	0.237	C	C	.	.	H	α-helix	trans	-60.7	-47.6	174.3	-69.5	169.7	0	0	0	109.7	I963 G964 K970 M971 I1006 I1034 G1037 W1038 L1041	I963-I967 HydrophobicContact CG2-CD1 3.76Å; I963-I967 HydrophobicContact CG2-CG1 4.29Å; I963-I967 WeakPolarHBondContact O-CG1 3.28Å; I963-I967 PolarHBondContact O-N 3.44Å; G964-I967 PolarHBondContact O-N 3.13Å; I967-K970 PolarHBondContact O-N 3.3Å; I967-M971 HydrophobicContact CG2-CE 4.24Å; I967-M971 PolarHBondContact O-N 3.26Å; I967-I1006 HydrophobicContact CD1-CD1 4.49Å; I967-I1034 HydrophobicContact CD1-CG2 4.04Å; I967-G1037 WeakPolarHBondContact CG2-O 3.23Å; I967-W1038 HydrophobicContact CD1-CB 4.19Å; I967-W1038 HydrophobicContact CD1-CE3 4.18Å; I967-W1038 HydrophobicContact CG1-CE3 4.15Å; I967-L1041 HydrophobicContact CG1-CD2 4.46Å; I967-L1041 HydrophobicContact CG2-CB 4.34Å; I967-L1041 HydrophobicContact CG2-CD2 4.33Å
968	Q	86.9	Confident	85.3	Confident	101 Å²	101	46.9 Å²	46.9	47%	0.472	25%	0.251	S	S	.	.	H	α-helix	trans	-60.7	-48.2	178.5	-175	-179.8	-5.5	0	0	111.8	G964 P965 K970 M971 E972	G964-Q968 PolarHBondContact O-N 3.4Å; P965-Q968 PolarHBondContact O-N 3.06Å; Q968-K970 VanDerWaalsContact C-N 3.29Å; Q968-K970 PolarHBondContact O-N 3.08Å; Q968-M971 PolarHBondContact O-N 3.35Å; Q968-E972 WeakPolarHBondContact CG-OE1 3.03Å; Q968-E972 PolarHBondContact NE2-OE1 2.98Å; Q968-E972 WeakPolarHBondContact O-CG 3.45Å; Q968-E972 PolarHBondContact O-N 3.47Å
969	T	89.1	Confident	83.8	Confident	61 Å²	61	46.3 Å²	46.3	37%	0.374	24%	0.244	S	C	.	.	H	α-helix	trans	-60.4	-41.5	178.5	-52.5	0	0	0	0	110.8	P965 W966 E972 E973	P965-T969 WeakPolarHBondContact O-CB 3.33Å; P965-T969 PolarHBondContact O-N 2.9Å; P965-T969 PolarHBondContact O-OG1 3.31Å; W966-T969 PolarHBondContact O-N 3.11Å; T969-E972 PolarHBondContact O-N 2.89Å; T969-E973 HydrophobicContact CG2-CG 4.45Å; T969-E973 WeakPolarHBondContact O-CB 3.22Å; T969-E973 VanDerWaalsContact O-CG 3.29Å; T969-E973 WeakPolarHBondContact O-CG 3.48Å; T969-E973 PolarHBondContact O-N 2.88Å
970	K	87.3	Confident	82.2	Confident	23 Å²	23	50 Å²	50	10%	0.1	26%	0.261	C	S	.	.	H	α-helix	trans	-68.4	-38.5	177.7	-75.8	-71.8	167.3	-151.1	0	112.8	W966 I967 Q968 E973 I974 Y995 L1041	W966-K970 HydrophobicContact CD2-CG 4.07Å; W966-K970 HydrophobicContact CE3-CG 4.22Å; W966-K970 HydrophobicContact CH2-CG 3.92Å; W966-K970 HydrophobicContact CZ2-CD 4.27Å; W966-K970 HydrophobicContact CZ2-CG 3.78Å; W966-K970 HydrophobicContact CZ3-CG 4.12Å; W966-K970 WeakPolarHBondContact O-CB 3.29Å; W966-K970 WeakPolarHBondContact O-CG 3.46Å; W966-K970 PolarHBondContact O-N 3.42Å; I967-K970 PolarHBondContact O-N 3.3Å; Q968-K970 VanDerWaalsContact C-N 3.29Å; Q968-K970 PolarHBondContact O-N 3.08Å; K970-E973 WeakPolarHBondContact CE-OE2 3.4Å; K970-E973 IonicContact NZ-OE2 3.05Å; K970-E973 PolarHBondContact NZ-OE2 3.13Å; K970-E973 PolarHBondContact O-N 2.98Å; K970-I974 WeakPolarHBondContact O-CD1 3.45Å; K970-I974 VanDerWaalsContact O-CG1 3.23Å; K970-I974 WeakPolarHBondContact O-CG1 3.13Å; K970-I974 PolarHBondContact O-N 3.43Å; K970-Y995 VanDerWaalsContact NZ-CE1 3.31Å; K970-L1041 HydrophobicContact CB-CD1 3.95Å; K970-L1041 HydrophobicContact CB-CD2 4.17Å
971	M	85.3	Confident	80.4	Confident	46 Å²	46	56.6 Å²	56.6	23%	0.227	29%	0.294	C	S	.	.	H	α-helix	trans	-60.3	-46	170.5	-78.9	-162.7	-172.1	0	0	111.7	I967 Q968 E973 I974 G975 G1037 Q1040 L1041	I967-M971 HydrophobicContact CG2-CE 4.24Å; I967-M971 PolarHBondContact O-N 3.26Å; Q968-M971 PolarHBondContact O-N 3.35Å; M971-E973 PolarHBondContact O-N 3.32Å; M971-I974 PolarHBondContact O-N 2.79Å; M971-G975 PolarHBondContact O-N 3.39Å; M971-G1037 WeakPolarHBondContact CE-O 3.36Å; M971-Q1040 HydrophobicContact CE-CB 3.56Å; M971-Q1040 HydrophobicContact CE-CG 3.58Å; M971-L1041 HydrophobicContact CB-CD1 4.44Å; M971-L1041 HydrophobicContact CE-CB 4.02Å; M971-L1041 HydrophobicContact CG-CB 4.33Å; M971-L1041 HydrophobicContact CG-CD1 3.68Å
972	E	84.1	Confident	78.4	Confident	96 Å²	96	62.4 Å²	62.4	45%	0.449	32%	0.318	S	S	.	.	H	α-helix	trans	-64.9	-36.7	178	-71.2	172.7	-168.3	0	0	112.4	Q968 T969 R976	Q968-E972 WeakPolarHBondContact CG-OE1 3.03Å; Q968-E972 PolarHBondContact NE2-OE1 2.98Å; Q968-E972 WeakPolarHBondContact O-CG 3.45Å; Q968-E972 PolarHBondContact O-N 3.47Å; T969-E972 PolarHBondContact O-N 2.89Å; E972-R976 WeakPolarHBondContact O-CB 3.28Å; E972-R976 PolarHBondContact O-N 3.03Å
973	E	83.6	Confident	76.9	Confident	46 Å²	46	60.3 Å²	60.3	22%	0.215	31%	0.313	C	S	.	.	H	α-helix	trans	-68.1	-41.1	174.2	-76.1	175.4	-179.4	0	0	112.8	T969 K970 M971 G975 R976 I977 Y995	T969-E973 HydrophobicContact CG2-CG 4.45Å; T969-E973 WeakPolarHBondContact O-CB 3.22Å; T969-E973 VanDerWaalsContact O-CG 3.29Å; T969-E973 WeakPolarHBondContact O-CG 3.48Å; T969-E973 PolarHBondContact O-N 2.88Å; K970-E973 WeakPolarHBondContact CE-OE2 3.4Å; K970-E973 IonicContact NZ-OE2 3.05Å; K970-E973 PolarHBondContact NZ-OE2 3.13Å; K970-E973 PolarHBondContact O-N 2.98Å; M971-E973 PolarHBondContact O-N 3.32Å; E973-G975 VanDerWaalsContact C-N 3.33Å; E973-R976 PolarHBondContact O-N 3.44Å; E973-I977 WeakPolarHBondContact O-CG1 3.49Å; E973-I977 PolarHBondContact O-N 3.38Å; E973-Y995 HydrophobicContact CB-CE2 4.07Å; E973-Y995 PolarHBondContact OE2-OH 2.8Å
974	I	83.3	Confident	75.9	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-64.5	-41.4	173.9	-67.2	158.9	0	0	0	110.3	K970 M971 I977 S978 L992 Y995 I999 L1041 T1044 I1045 T1048	K970-I974 WeakPolarHBondContact O-CD1 3.45Å; K970-I974 VanDerWaalsContact O-CG1 3.23Å; K970-I974 WeakPolarHBondContact O-CG1 3.13Å; K970-I974 PolarHBondContact O-N 3.43Å; M971-I974 PolarHBondContact O-N 2.79Å; I974-I977 PolarHBondContact O-N 3.45Å; I974-S978 PolarHBondContact O-N 2.69Å; I974-S978 PolarHBondContact O-OG 2.69Å; I974-L992 HydrophobicContact CG2-CD2 4.29Å; I974-Y995 HydrophobicContact CG1-CD2 4.36Å; I974-I999 HydrophobicContact CD1-CD1 4.31Å; I974-L1041 HydrophobicContact CD1-CD1 3.49Å; I974-L1041 VanDerWaalsContact CD1-CD1 3.49Å; I974-T1044 HydrophobicContact CG2-CG2 4.15Å; I974-I1045 HydrophobicContact CD1-CB 3.91Å; I974-I1045 HydrophobicContact CD1-CD1 4.04Å; I974-I1045 HydrophobicContact CD1-CG1 4.17Å; I974-I1045 HydrophobicContact CG1-CD1 4.39Å; I974-T1048 HydrophobicContact CG2-CG2 4.33Å
975	G	72.1	Confident	75.1	Confident	32 Å²	32	62.8 Å²	62.8	33%	0.33	33%	0.328	S	S	.	.	H	α-helix	trans	-58.8	-45.3	172.1	0	0	0	0	0	112.1	M971 E973 S978 I979	M971-G975 PolarHBondContact O-N 3.39Å; E973-G975 VanDerWaalsContact C-N 3.33Å; G975-S978 WeakPolarHBondContact O-CB 3.38Å; G975-S978 PolarHBondContact O-N 3.39Å; G975-I979 WeakPolarHBondContact O-CD1 3.41Å; G975-I979 WeakPolarHBondContact O-CG1 3.16Å; G975-I979 PolarHBondContact O-N 2.74Å
976	R	76.1	Confident	74.6	Confident	107 Å²	107	64 Å²	64	40%	0.404	33%	0.33	S	S	.	.	H	α-helix	trans	-63.3	-41.9	175.6	-95.8	-176.3	-66	-138.5	-5	113.7	E972 E973 S978 I979 E980	E972-R976 WeakPolarHBondContact O-CB 3.28Å; E972-R976 PolarHBondContact O-N 3.03Å; E973-R976 PolarHBondContact O-N 3.44Å; R976-S978 PolarHBondContact O-N 3.33Å; R976-I979 CarbonylContact O-C 3.47Å; R976-I979 PolarHBondContact O-N 2.98Å; R976-E980 HydrophobicContact CB-CG 4.48Å; R976-E980 VanDerWaalsContact CD-OE1 3.31Å; R976-E980 WeakPolarHBondContact CD-OE1 3.27Å; R976-E980 HydrophobicContact CG-CG 4.4Å; R976-E980 WeakPolarHBondContact O-CB 3.33Å; R976-E980 PolarHBondContact O-N 3.05Å
977	I	71.8	Confident	74	Confident	27 Å²	27	65.6 Å²	65.6	14%	0.138	34%	0.341	C	S	.	.	H	α-helix	trans	-60.8	-32.8	177.6	-71.8	178.7	0	0	0	111.4	E973 I974 I979 Q988 H991 L992 Y995	E973-I977 WeakPolarHBondContact O-CG1 3.49Å; E973-I977 PolarHBondContact O-N 3.38Å; I974-I977 PolarHBondContact O-N 3.45Å; I977-I979 PolarHBondContact O-N 2.99Å; I977-Q988 HydrophobicContact CG2-CB 4.32Å; I977-Q988 HydrophobicContact CG2-CG 4.47Å; I977-H991 HydrophobicContact CD1-CB 3.99Å; I977-L992 HydrophobicContact CB-CD2 4.38Å; I977-L992 HydrophobicContact CD1-CD2 4.23Å; I977-L992 HydrophobicContact CG2-CD2 4.04Å; I977-L992 HydrophobicContact CG2-CG 4.1Å; I977-Y995 HydrophobicContact CD1-CD2 3.65Å; I977-Y995 HydrophobicContact CD1-CE2 3.21Å; I977-Y995 HydrophobicContact CG1-CE2 4.28Å
978	S	61.8	Low	73.3	Confident	44 Å²	44	66.4 Å²	66.4	31%	0.308	35%	0.345	S	S	.	.	H	α-helix	trans	-68.6	-21.7	176.2	-51.8	0	0	0	0	112.6	I974 G975 R976 T1048	I974-S978 PolarHBondContact O-N 2.69Å; I974-S978 PolarHBondContact O-OG 2.69Å; G975-S978 WeakPolarHBondContact O-CB 3.38Å; G975-S978 PolarHBondContact O-N 3.39Å; R976-S978 PolarHBondContact O-N 3.33Å; S978-T1048 VanDerWaalsContact OG-CG2 3.23Å; S978-T1048 WeakPolarHBondContact OG-CG2 3.45Å
979	I	60.5	Low	73.1	Confident	83 Å²	83	63.1 Å²	63.1	43%	0.426	33%	0.33	S	S	.	.	H	α-helix	trans	-110.5	-37.5	-172	-61.1	169.1	0	0	0	112.9	G975 R976 I977	G975-I979 WeakPolarHBondContact O-CD1 3.41Å; G975-I979 WeakPolarHBondContact O-CG1 3.16Å; G975-I979 PolarHBondContact O-N 2.74Å; R976-I979 CarbonylContact O-C 3.47Å; R976-I979 PolarHBondContact O-N 2.98Å; I977-I979 PolarHBondContact O-N 2.99Å
980	E	55.9	Low	72.9	Confident	123 Å²	123	64.5 Å²	64.5	58%	0.575	34%	0.339	S	S	*	.			trans	-82.7	124	-171.2	-73.7	-176.1	175.5	0	0	112.8	R976 H982	R976-E980 HydrophobicContact CB-CG 4.48Å; R976-E980 VanDerWaalsContact CD-OE1 3.31Å; R976-E980 WeakPolarHBondContact CD-OE1 3.27Å; R976-E980 HydrophobicContact CG-CG 4.4Å; R976-E980 WeakPolarHBondContact O-CB 3.33Å; R976-E980 PolarHBondContact O-N 3.05Å; E980-H982 PolarHBondContact O-N 2.8Å
981	M	52.1	Low	72.7	Confident	139 Å²	139	68 Å²	68	69%	0.685	36%	0.355	S	S	*	.			trans	-85.7	32	-158.7	-67.7	176	57.5	0	0	116.9
982	H	50.3	Low	72.7	Confident	191 Å²	191	65.8 Å²	65.8	88%	0.884	34%	0.344	S	S	*	.			trans	-124.3	89.1	-175.7	-67.7	-22.4	0	0	0	113	E980	E980-H982 PolarHBondContact O-N 2.8Å
983	G	60.4	Low	72.8	Confident	41 Å²	41	66 Å²	66	42%	0.423	34%	0.341	S	S	.	.	S	Bend	trans	155.6	167.3	171.4	0	0	0	0	0	113
984	T	71.3	Confident	73	Confident	54 Å²	54	69.5 Å²	69.5	33%	0.331	36%	0.358	S	S	.	.			trans	-73.1	162.5	166.1	60.5	0	0	0	0	110.5	E986 D987 Q988	T984-E986 WeakPolarHBondContact CB-OE2 3.45Å; T984-E986 PolarHBondContact O-N 3.31Å; T984-D987 PolarHBondContact N-OD2 2.87Å; T984-D987 WeakPolarHBondContact O-CB 3.33Å; T984-D987 PolarHBondContact O-N 3.27Å; T984-D987 PolarHBondContact OG1-N 2.73Å; T984-D987 VanDerWaalsContact OG1-N 3.17Å; T984-D987 PolarHBondContact OG1-OD2 3.43Å; T984-Q988 PolarHBondContact O-N 3.31Å
985	L	71.4	Confident	73.2	Confident	6 Å²	6	72 Å²	72	3%	0.031	37%	0.367	C	S	.	.	H	α-helix	trans	-60.1	-31.2	175.3	-71.1	174.1	0	0	0	110.6	Q988 L989 I1052 Q1055 I1056 L1069	L985-Q988 PolarHBondContact O-N 3.46Å; L985-L989 VanDerWaalsContact O-CB 3.3Å; L985-L989 WeakPolarHBondContact O-CB 3.14Å; L985-L989 PolarHBondContact O-N 3.49Å; L985-I1052 HydrophobicContact CB-CG2 4.48Å; L985-I1052 HydrophobicContact CD2-CG2 4.49Å; L985-Q1055 HydrophobicContact CD1-CB 4.34Å; L985-I1056 HydrophobicContact CB-CD1 4.11Å; L985-I1056 HydrophobicContact CB-CG1 3.7Å; L985-I1056 HydrophobicContact CD1-CG1 4.04Å; L985-L1069 HydrophobicContact CD1-CD2 3.81Å; L985-L1069 HydrophobicContact CG-CD2 4.43Å
986	E	80.4	Confident	73.9	Confident	73 Å²	73	73.1 Å²	73.1	34%	0.341	36%	0.364	S	S	.	.	H	α-helix	trans	-65.2	-40.9	173.1	-65.4	83.7	169.7	0	0	112.3	T984 L989 T990 R1059	T984-E986 WeakPolarHBondContact CB-OE2 3.45Å; T984-E986 PolarHBondContact O-N 3.31Å; E986-L989 PolarHBondContact O-N 3.33Å; E986-T990 WeakPolarHBondContact O-CB 3.3Å; E986-T990 PolarHBondContact O-N 3.02Å; E986-T990 PolarHBondContact O-OG1 3.04Å; E986-R1059 VanDerWaalsContact CD-NH1 3.35Å; E986-R1059 IonicContact OE1-CZ 2.78Å; E986-R1059 IonicContact OE1-NH1 3.67Å; E986-R1059 PolarHBondContact OE1-NH1 3.42Å; E986-R1059 IonicContact OE1-NH2 2.7Å; E986-R1059 PolarHBondContact OE1-NH2 2.68Å; E986-R1059 IonicContact OE2-NH1 2.78Å; E986-R1059 PolarHBondContact OE2-NH1 2.92Å
987	D	79.4	Confident	74.5	Confident	77 Å²	77	74.8 Å²	74.8	41%	0.412	37%	0.374	S	S	.	.	H	α-helix	trans	-66	-44.7	174.8	-62.4	-43.4	0	0	0	110.7	T984 L989 T990 H991	T984-D987 PolarHBondContact N-OD2 2.87Å; T984-D987 WeakPolarHBondContact O-CB 3.33Å; T984-D987 PolarHBondContact O-N 3.27Å; T984-D987 PolarHBondContact OG1-N 2.73Å; T984-D987 VanDerWaalsContact OG1-N 3.17Å; T984-D987 PolarHBondContact OG1-OD2 3.43Å; D987-L989 PolarHBondContact O-N 3.29Å; D987-T990 WeakPolarHBondContact O-CB 3.35Å; D987-T990 PolarHBondContact O-N 3.18Å; D987-H991 PolarHBondContact O-CD2 3.39Å; D987-H991 PolarHBondContact O-N 3.19Å
988	Q	76.4	Confident	75.4	Confident	25 Å²	25	75.6 Å²	75.6	12%	0.117	38%	0.382	C	S	.	.	H	α-helix	trans	-61.4	-44.4	176.4	-68.8	-178.7	-15.8	0	0	111.6	I977 T984 L985 T990 H991 L992 I1052	I977-Q988 HydrophobicContact CG2-CB 4.32Å; I977-Q988 HydrophobicContact CG2-CG 4.47Å; T984-Q988 PolarHBondContact O-N 3.31Å; L985-Q988 PolarHBondContact O-N 3.46Å; Q988-T990 VanDerWaalsContact C-N 3.31Å; Q988-T990 PolarHBondContact O-N 2.71Å; Q988-H991 PolarHBondContact O-N 3.04Å; Q988-L992 WeakPolarHBondContact O-CG 3.37Å; Q988-L992 PolarHBondContact O-N 3.34Å; Q988-I1052 HydrophobicContact CB-CD1 3.85Å
989	L	83.2	Confident	76.6	Confident	31 Å²	31	73.5 Å²	73.5	16%	0.162	37%	0.368	C	S	.	.	H	α-helix	trans	-61.6	-41.1	174.5	-175.5	63.4	0	0	0	111.2	L985 E986 D987 H991 L992 R993 I1049 I1052 E1053 I1056	L985-L989 VanDerWaalsContact O-CB 3.3Å; L985-L989 WeakPolarHBondContact O-CB 3.14Å; L985-L989 PolarHBondContact O-N 3.49Å; E986-L989 PolarHBondContact O-N 3.33Å; D987-L989 PolarHBondContact O-N 3.29Å; L989-H991 PolarHBondContact O-N 3.2Å; L989-L992 PolarHBondContact O-N 2.67Å; L989-R993 HydrophobicContact CD1-CG 4.4Å; L989-R993 HydrophobicContact CG-CG 4.42Å; L989-R993 WeakPolarHBondContact O-CB 3.4Å; L989-R993 VanDerWaalsContact O-CG 3.24Å; L989-R993 WeakPolarHBondContact O-CG 3.47Å; L989-R993 PolarHBondContact O-N 2.88Å; L989-I1049 HydrophobicContact CD1-CG2 4Å; L989-I1052 HydrophobicContact CB-CG2 4.07Å; L989-I1052 HydrophobicContact CD1-CG2 4.43Å; L989-E1053 HydrophobicContact CD1-CG 3.81Å; L989-E1053 HydrophobicContact CD2-CG 4.15Å; L989-I1056 HydrophobicContact CB-CD1 4.43Å; L989-I1056 HydrophobicContact CD2-CD1 3.85Å
990	T	84.3	Confident	77.9	Confident	91 Å²	91	74.4 Å²	74.4	56%	0.558	37%	0.372	S	S	*	.	H	α-helix	trans	-62.9	-42.6	177.1	-56.6	0	0	0	0	111.3	E986 D987 Q988 R993 Q994	E986-T990 WeakPolarHBondContact O-CB 3.3Å; E986-T990 PolarHBondContact O-N 3.02Å; E986-T990 PolarHBondContact O-OG1 3.04Å; D987-T990 WeakPolarHBondContact O-CB 3.35Å; D987-T990 PolarHBondContact O-N 3.18Å; Q988-T990 VanDerWaalsContact C-N 3.31Å; Q988-T990 PolarHBondContact O-N 2.71Å; T990-R993 PolarHBondContact O-N 2.69Å; T990-Q994 WeakPolarHBondContact O-CB 3.36Å; T990-Q994 PolarHBondContact O-N 3.47Å
991	H	83.9	Confident	79.6	Confident	95 Å²	95	74.1 Å²	74.1	44%	0.44	37%	0.374	S	S	.	.	H	α-helix	trans	-64.9	-42.7	174.7	-78.7	-68.9	0	0	0	112.5	I977 D987 Q988 L989 Q994 Y995	I977-H991 HydrophobicContact CD1-CB 3.99Å; D987-H991 PolarHBondContact O-CD2 3.39Å; D987-H991 PolarHBondContact O-N 3.19Å; Q988-H991 PolarHBondContact O-N 3.04Å; L989-H991 PolarHBondContact O-N 3.2Å; H991-Q994 WeakPolarHBondContact O-CB 3.41Å; H991-Q994 PolarHBondContact O-N 3.34Å; H991-Y995 PolarHBondContact O-N 3.15Å
992	L	85.6	Confident	81.4	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-65	-41.5	175.7	-71.3	179	0	0	0	112	I974 I977 Q988 L989 Q994 Y995 E996 T1048 I1049 I1052	I974-L992 HydrophobicContact CG2-CD2 4.29Å; I977-L992 HydrophobicContact CB-CD2 4.38Å; I977-L992 HydrophobicContact CD1-CD2 4.23Å; I977-L992 HydrophobicContact CG2-CD2 4.04Å; I977-L992 HydrophobicContact CG2-CG 4.1Å; Q988-L992 WeakPolarHBondContact O-CG 3.37Å; Q988-L992 PolarHBondContact O-N 3.34Å; L989-L992 PolarHBondContact O-N 2.67Å; L992-Q994 VanDerWaalsContact C-N 3.27Å; L992-Q994 PolarHBondContact O-N 3.39Å; L992-Y995 CarbonylContact O-C 3.49Å; L992-Y995 PolarHBondContact O-N 3.48Å; L992-Y995 VanDerWaalsContact O-N 3.13Å; L992-E996 PolarHBondContact O-N 3Å; L992-T1048 HydrophobicContact CD1-CG2 3.8Å; L992-T1048 HydrophobicContact CD2-CG2 4.43Å; L992-I1049 HydrophobicContact CB-CD1 4.29Å; L992-I1049 HydrophobicContact CB-CG1 3.72Å; L992-I1049 HydrophobicContact CD1-CG1 4.08Å; L992-I1052 HydrophobicContact CD1-CD1 3.48Å; L992-I1052 VanDerWaalsContact CD1-CD1 3.48Å; L992-I1052 HydrophobicContact CD1-CG1 4.23Å
993	R	86.1	Confident	83.3	Confident	100 Å²	100	64.2 Å²	64.2	38%	0.377	32%	0.324	S	S	.	.	H	α-helix	trans	-64	-33.4	173.5	-70.1	-65.2	-174.6	-177.5	-0	111.9	L989 T990 E996 K997 E1053	L989-R993 HydrophobicContact CD1-CG 4.4Å; L989-R993 HydrophobicContact CG-CG 4.42Å; L989-R993 WeakPolarHBondContact O-CB 3.4Å; L989-R993 VanDerWaalsContact O-CG 3.24Å; L989-R993 WeakPolarHBondContact O-CG 3.47Å; L989-R993 PolarHBondContact O-N 2.88Å; T990-R993 PolarHBondContact O-N 2.69Å; R993-E996 WeakPolarHBondContact CD-OE2 3.43Å; R993-E996 IonicContact CZ-OE2 3.89Å; R993-E996 IonicContact NE-OE2 3.63Å; R993-E996 IonicContact NH1-OE1 2.79Å; R993-E996 PolarHBondContact NH1-OE1 3.32Å; R993-E996 IonicContact NH1-OE2 3.96Å; R993-E996 PolarHBondContact NH1-OE2 2.8Å; R993-K997 WeakPolarHBondContact O-CB 3.41Å; R993-K997 PolarHBondContact O-N 2.58Å; R993-E1053 IonicContact CZ-OE1 3.34Å; R993-E1053 IonicContact NE-OE1 3.27Å; R993-E1053 IonicContact NH2-OE1 3.29Å; R993-E1053 PolarHBondContact NH2-OE1 2.81Å; R993-E1053 IonicContact NH2-OE2 3.81Å
994	Q	87	Confident	84.7	Confident	121 Å²	121	65.6 Å²	65.6	57%	0.565	33%	0.326	S	S	*	.	H	α-helix	trans	-67.5	-38.3	172.3	-168.3	177.9	9.2	0	0	111.9	T990 H991 L992 K997 S998	T990-Q994 WeakPolarHBondContact O-CB 3.36Å; T990-Q994 PolarHBondContact O-N 3.47Å; H991-Q994 WeakPolarHBondContact O-CB 3.41Å; H991-Q994 PolarHBondContact O-N 3.34Å; L992-Q994 VanDerWaalsContact C-N 3.27Å; L992-Q994 PolarHBondContact O-N 3.39Å; Q994-K997 PolarHBondContact O-N 3.46Å; Q994-S998 WeakPolarHBondContact O-CB 3.24Å; Q994-S998 PolarHBondContact O-N 2.89Å
995	Y	87.3	Confident	85.5	Confident	51 Å²	51	67.6 Å²	67.6	20%	0.2	33%	0.33	C	S	.	.	H	α-helix	trans	-70.2	-38.4	173	-74.4	-19.2	0	0	0	113.1	K970 E973 I974 I977 H991 L992 K997 S998 I999	K970-Y995 VanDerWaalsContact NZ-CE1 3.31Å; E973-Y995 HydrophobicContact CB-CE2 4.07Å; E973-Y995 PolarHBondContact OE2-OH 2.8Å; I974-Y995 HydrophobicContact CG1-CD2 4.36Å; I977-Y995 HydrophobicContact CD1-CD2 3.65Å; I977-Y995 HydrophobicContact CD1-CE2 3.21Å; I977-Y995 HydrophobicContact CG1-CE2 4.28Å; H991-Y995 PolarHBondContact O-N 3.15Å; L992-Y995 CarbonylContact O-C 3.49Å; L992-Y995 PolarHBondContact O-N 3.48Å; L992-Y995 VanDerWaalsContact O-N 3.13Å; Y995-K997 VanDerWaalsContact C-N 3.3Å; Y995-K997 PolarHBondContact O-N 2.71Å; Y995-S998 CarbonylContact O-C 3.53Å; Y995-S998 WeakPolarHBondContact O-CA 3.37Å; Y995-S998 WeakPolarHBondContact O-CB 3.21Å; Y995-S998 PolarHBondContact O-N 2.78Å; Y995-I999 VanDerWaalsContact O-CG1 3.27Å; Y995-I999 WeakPolarHBondContact O-CG1 3.38Å; Y995-I999 PolarHBondContact O-N 3.45Å
996	E	87.8	Confident	86.4	Confident	56 Å²	56	67.8 Å²	67.8	26%	0.262	33%	0.331	S	S	.	.	H	α-helix	trans	-57.2	-46.3	171.8	-177.1	-175.7	-148.8	0	0	110.3	L992 R993 S998 I999 I1000 I1045 I1049	L992-E996 PolarHBondContact O-N 3Å; R993-E996 WeakPolarHBondContact CD-OE2 3.43Å; R993-E996 IonicContact CZ-OE2 3.89Å; R993-E996 IonicContact NE-OE2 3.63Å; R993-E996 IonicContact NH1-OE1 2.79Å; R993-E996 PolarHBondContact NH1-OE1 3.32Å; R993-E996 IonicContact NH1-OE2 3.96Å; R993-E996 PolarHBondContact NH1-OE2 2.8Å; E996-S998 VanDerWaalsContact C-N 3.33Å; E996-S998 PolarHBondContact O-N 2.73Å; E996-I999 PolarHBondContact O-N 2.94Å; E996-I1000 HydrophobicContact CG-CD1 4.03Å; E996-I1000 VanDerWaalsContact O-CG1 3.29Å; E996-I1000 WeakPolarHBondContact O-CG1 3.5Å; E996-I1000 PolarHBondContact O-N 3.36Å; E996-I1045 HydrophobicContact CB-CD1 3.99Å; E996-I1045 VanDerWaalsContact N-CD1 3.32Å; E996-I1049 HydrophobicContact CB-CD1 4.13Å; E996-I1049 HydrophobicContact CG-CD1 4.49Å
997	K	88.4	Confident	86.7	Confident	142 Å²	142	68.1 Å²	68.1	62%	0.617	34%	0.335	S	S	*	.	H	α-helix	trans	-62.9	-38.2	174	-169.6	173.6	-176.9	174.4	0	112.8	R993 Q994 Y995 N1001	R993-K997 WeakPolarHBondContact O-CB 3.41Å; R993-K997 PolarHBondContact O-N 2.58Å; Q994-K997 PolarHBondContact O-N 3.46Å; Y995-K997 VanDerWaalsContact C-N 3.3Å; Y995-K997 PolarHBondContact O-N 2.71Å; K997-N1001 WeakPolarHBondContact O-CB 3.25Å; K997-N1001 VanDerWaalsContact O-CG 3.27Å; K997-N1001 PolarHBondContact O-N 2.83Å
998	S	89.3	Confident	87.1	Confident	44 Å²	44	69.9 Å²	69.9	31%	0.308	34%	0.341	S	S	.	.	H	α-helix	trans	-63.6	-42.1	175.1	-167.5	0	0	0	0	111.8	Q994 Y995 E996 N1001 Y1002	Q994-S998 WeakPolarHBondContact O-CB 3.24Å; Q994-S998 PolarHBondContact O-N 2.89Å; Y995-S998 CarbonylContact O-C 3.53Å; Y995-S998 WeakPolarHBondContact O-CA 3.37Å; Y995-S998 WeakPolarHBondContact O-CB 3.21Å; Y995-S998 PolarHBondContact O-N 2.78Å; E996-S998 VanDerWaalsContact C-N 3.33Å; E996-S998 PolarHBondContact O-N 2.73Å; S998-N1001 PolarHBondContact O-N 3.37Å; S998-Y1002 WeakPolarHBondContact O-CB 3.41Å; S998-Y1002 PolarHBondContact O-N 3.35Å; S998-Y1002 VanDerWaalsContact O-N 3.1Å
999	I	88.4	Confident	87.8	Confident	1 Å²	1	68.7 Å²	68.7	1%	0.005	34%	0.336	C	S	.	.	H	α-helix	trans	-66	-48	176.7	-67	162.8	0	0	0	110.5	W966 I974 Y995 E996 N1001 Y1002 K1003 W1038 L1041 L1042 I1045	W966-I999 HydrophobicContact CH2-CB 4.47Å; W966-I999 HydrophobicContact CH2-CG1 3.91Å; I974-I999 HydrophobicContact CD1-CD1 4.31Å; Y995-I999 VanDerWaalsContact O-CG1 3.27Å; Y995-I999 WeakPolarHBondContact O-CG1 3.38Å; Y995-I999 PolarHBondContact O-N 3.45Å; E996-I999 PolarHBondContact O-N 2.94Å; I999-N1001 VanDerWaalsContact C-N 3.28Å; I999-N1001 PolarHBondContact O-N 3.42Å; I999-Y1002 WeakPolarHBondContact O-CA 3.18Å; I999-Y1002 WeakPolarHBondContact O-CB 3.43Å; I999-Y1002 PolarHBondContact O-N 3.08Å; I999-K1003 PolarHBondContact O-N 3.38Å; I999-W1038 HydrophobicContact CG2-CH2 3.65Å; I999-W1038 HydrophobicContact CG2-CZ2 3.83Å; I999-W1038 HydrophobicContact CG2-CZ3 4.25Å; I999-W1038 VanDerWaalsContact O-CH2 3.24Å; I999-W1038 WeakPolarHBondContact O-CH2 3.17Å; I999-L1041 HydrophobicContact CD1-CD1 4.25Å; I999-L1041 HydrophobicContact CD1-CD2 4.14Å; I999-L1041 HydrophobicContact CD1-CG 4Å; I999-L1041 HydrophobicContact CG1-CD2 4.16Å; I999-L1042 HydrophobicContact CG2-CD2 3.78Å; I999-I1045 HydrophobicContact CD1-CB 4.35Å; I999-I1045 HydrophobicContact CD1-CD1 3.57Å; I999-I1045 HydrophobicContact CD1-CG2 4.12Å
1000	I	88.2	Confident	88	Confident	101 Å²	101	70.2 Å²	70.2	52%	0.518	34%	0.342	S	S	.	.	H	α-helix	trans	-58.5	-42.6	176.5	-67.1	165.6	0	0	0	110.9	E996 Y1002 K1003	E996-I1000 HydrophobicContact CG-CD1 4.03Å; E996-I1000 VanDerWaalsContact O-CG1 3.29Å; E996-I1000 WeakPolarHBondContact O-CG1 3.5Å; E996-I1000 PolarHBondContact O-N 3.36Å; I1000-Y1002 PolarHBondContact O-N 3.09Å; I1000-K1003 VanDerWaalsContact O-CB 3.31Å; I1000-K1003 WeakPolarHBondContact O-CB 3.32Å; I1000-K1003 PolarHBondContact O-N 3.27Å
1001	N	90.3	Very high	88.2	Confident	117 Å²	117	67.5 Å²	67.5	63%	0.626	33%	0.332	S	S	*	.	H	α-helix	trans	-65.5	-22.8	176.1	-79.1	-10.5	0	0	0	113.7	K997 S998 I999 P1004	K997-N1001 WeakPolarHBondContact O-CB 3.25Å; K997-N1001 VanDerWaalsContact O-CG 3.27Å; K997-N1001 PolarHBondContact O-N 2.83Å; S998-N1001 PolarHBondContact O-N 3.37Å; I999-N1001 VanDerWaalsContact C-N 3.28Å; I999-N1001 PolarHBondContact O-N 3.42Å; N1001-P1004 WeakPolarHBondContact O-CD 3.03Å
1002	Y	90.8	Very high	88.4	Confident	28 Å²	28	63.6 Å²	63.6	11%	0.11	31%	0.314	C	S	.	.	H	α-helix	trans	-86.2	-16.1	179.5	-148.8	-88.8	0	0	0	112.8	I963 W966 S998 I999 I1000 P1004 K1005 W1038	I963-Y1002 HydrophobicContact CG1-CE1 4.09Å; W966-Y1002 AromaticContact CD1-CE2 3.91Å; W966-Y1002 HydrophobicContact CD2-CD1 4.16Å; W966-Y1002 HydrophobicContact CD2-CD2 4.17Å; W966-Y1002 AromaticContact CD2-CE1 3.97Å; W966-Y1002 HydrophobicContact CD2-CE1 3.97Å; W966-Y1002 AromaticContact CD2-CE2 3.95Å; W966-Y1002 HydrophobicContact CD2-CE2 3.95Å; W966-Y1002 HydrophobicContact CD2-CG 4.26Å; W966-Y1002 AromaticContact CD2-CZ 3.85Å; W966-Y1002 AromaticContact CE2-CD2 3.6Å; W966-Y1002 AromaticContact CE2-CE2 3.66Å; W966-Y1002 AromaticContact CE2-CG 3.94Å; W966-Y1002 AromaticContact CE3-CD1 3.97Å; W966-Y1002 HydrophobicContact CE3-CD1 3.97Å; W966-Y1002 HydrophobicContact CE3-CE1 4.02Å; W966-Y1002 HydrophobicContact CE3-CG 4.31Å; W966-Y1002 HydrophobicContact CG-CE1 4.33Å; W966-Y1002 HydrophobicContact CG-CE2 4.11Å; W966-Y1002 AromaticContact CG-CZ 3.87Å; W966-Y1002 HydrophobicContact CH2-CD1 4.17Å; W966-Y1002 HydrophobicContact CH2-CD2 4.21Å; W966-Y1002 AromaticContact CH2-CG 3.79Å; W966-Y1002 HydrophobicContact CH2-CG 3.79Å; W966-Y1002 HydrophobicContact CZ2-CD1 4.32Å; W966-Y1002 AromaticContact CZ2-CD2 3.6Å; W966-Y1002 HydrophobicContact CZ2-CD2 3.6Å; W966-Y1002 HydrophobicContact CZ2-CE2 4.17Å; W966-Y1002 AromaticContact CZ2-CG 3.68Å; W966-Y1002 HydrophobicContact CZ2-CG 3.68Å; W966-Y1002 HydrophobicContact CZ3-CD1 4.02Å; W966-Y1002 HydrophobicContact CZ3-CG 4.12Å; W966-Y1002 AromaticContact NE1-CD2 3.9Å; W966-Y1002 AromaticContact NE1-CE2 3.61Å; S998-Y1002 WeakPolarHBondContact O-CB 3.41Å; S998-Y1002 PolarHBondContact O-N 3.35Å; S998-Y1002 VanDerWaalsContact O-N 3.1Å; I999-Y1002 WeakPolarHBondContact O-CA 3.18Å; I999-Y1002 WeakPolarHBondContact O-CB 3.43Å; I999-Y1002 PolarHBondContact O-N 3.08Å; I1000-Y1002 PolarHBondContact O-N 3.09Å; Y1002-P1004 VanDerWaalsContact C-CD 3.41Å; Y1002-K1005 HydrophobicContact CD1-CB 4.21Å; Y1002-K1005 HydrophobicContact CD1-CD 4.26Å; Y1002-K1005 HydrophobicContact CD2-CD 4.28Å; Y1002-K1005 HydrophobicContact CE1-CB 4.11Å; Y1002-K1005 HydrophobicContact CE1-CD 3.84Å; Y1002-K1005 HydrophobicContact CE2-CD 3.89Å; Y1002-K1005 HydrophobicContact CG-CD 4.46Å; Y1002-K1005 WeakPolarHBondContact O-CB 3.22Å; Y1002-K1005 PolarHBondContact O-N 2.83Å; Y1002-W1038 HydrophobicContact CD1-CZ3 4.25Å
1003	K	88.9	Confident	88.5	Confident	94 Å²	94	65.2 Å²	65.2	41%	0.409	32%	0.322	S	S	.	.	H	α-helix	trans	-50.2	-41.9	179.7	176.9	152.5	168.9	46.8	0	115	I999 I1000 K1005 I1006 D1007 W1038	I999-K1003 PolarHBondContact O-N 3.38Å; I1000-K1003 VanDerWaalsContact O-CB 3.31Å; I1000-K1003 WeakPolarHBondContact O-CB 3.32Å; I1000-K1003 PolarHBondContact O-N 3.27Å; K1003-K1005 PolarHBondContact O-N 3.02Å; K1003-K1005 VanDerWaalsContact O-N 3.09Å; K1003-I1006 WeakPolarHBondContact O-CB 3.41Å; K1003-I1006 PolarHBondContact O-N 3.41Å; K1003-D1007 WeakPolarHBondContact CG-OD2 3.45Å; K1003-D1007 IonicContact NZ-OD1 3.43Å; K1003-D1007 PolarHBondContact NZ-OD1 2.76Å; K1003-D1007 IonicContact NZ-OD2 3.26Å; K1003-D1007 PolarHBondContact NZ-OD2 3.48Å; K1003-D1007 PolarHBondContact O-N 2.67Å; K1003-W1038 HydrophobicContact CB-CZ2 4.02Å
1004	P	90.6	Very high	88.5	Confident	71 Å²	71	64.5 Å²	64.5	46%	0.461	32%	0.323	S	S	.	.	H	α-helix	trans	-58.9	-26.5	178.4	-25.6	35.5	0	0	0	114.1	N1001 Y1002 Q1008	N1001-P1004 WeakPolarHBondContact O-CD 3.03Å; Y1002-P1004 VanDerWaalsContact C-CD 3.41Å; P1004-Q1008 WeakPolarHBondContact O-CB 3.2Å; P1004-Q1008 VanDerWaalsContact O-CG 3.27Å; P1004-Q1008 WeakPolarHBondContact O-CG 3.39Å; P1004-Q1008 PolarHBondContact O-N 3.25Å
1005	K	88.1	Confident	88.5	Confident	95 Å²	95	62.5 Å²	62.5	41%	0.413	32%	0.315	S	S	.	.	H	α-helix	trans	-74.8	-32.8	175.5	-66.6	-176	175.3	-176.3	0	112.5	Y1002 K1003 Q1008 L1009	Y1002-K1005 HydrophobicContact CD1-CB 4.21Å; Y1002-K1005 HydrophobicContact CD1-CD 4.26Å; Y1002-K1005 HydrophobicContact CD2-CD 4.28Å; Y1002-K1005 HydrophobicContact CE1-CB 4.11Å; Y1002-K1005 HydrophobicContact CE1-CD 3.84Å; Y1002-K1005 HydrophobicContact CE2-CD 3.89Å; Y1002-K1005 HydrophobicContact CG-CD 4.46Å; Y1002-K1005 WeakPolarHBondContact O-CB 3.22Å; Y1002-K1005 PolarHBondContact O-N 2.83Å; K1003-K1005 PolarHBondContact O-N 3.02Å; K1003-K1005 VanDerWaalsContact O-N 3.09Å; K1005-Q1008 PolarHBondContact O-N 2.85Å; K1005-L1009 PolarHBondContact O-N 2.69Å
1006	I	89.7	Confident	88.5	Confident	11 Å²	11	60.5 Å²	60.5	6%	0.056	31%	0.308	C	S	.	.	H	α-helix	trans	-66.6	-44.2	171.5	-55.7	-61.4	0	0	0	109.6	I963 I967 K1003 Q1008 L1009 E1010 I1034 W1038	I963-I1006 HydrophobicContact CD1-CD1 4.42Å; I963-I1006 HydrophobicContact CG2-CD1 3.32Å; I967-I1006 HydrophobicContact CD1-CD1 4.49Å; K1003-I1006 WeakPolarHBondContact O-CB 3.41Å; K1003-I1006 PolarHBondContact O-N 3.41Å; I1006-Q1008 VanDerWaalsContact C-N 3.29Å; I1006-Q1008 PolarHBondContact O-N 3.37Å; I1006-L1009 PolarHBondContact O-N 2.72Å; I1006-L1009 VanDerWaalsContact O-N 3.14Å; I1006-E1010 WeakPolarHBondContact O-CB 3.41Å; I1006-E1010 PolarHBondContact O-N 2.77Å; I1006-I1034 HydrophobicContact CD1-CG2 4.13Å; I1006-W1038 HydrophobicContact CD1-CD2 4.09Å; I1006-W1038 HydrophobicContact CD1-CE3 3.64Å; I1006-W1038 HydrophobicContact CD1-CZ3 3.93Å; I1006-W1038 HydrophobicContact CG1-CD2 3.73Å; I1006-W1038 HydrophobicContact CG1-CE3 3.59Å; I1006-W1038 HydrophobicContact CG1-CG 4.39Å; I1006-W1038 HydrophobicContact CG1-CH2 3.92Å; I1006-W1038 HydrophobicContact CG1-CZ2 4.09Å; I1006-W1038 HydrophobicContact CG1-CZ3 3.66Å
1007	D	87.5	Confident	88.2	Confident	80 Å²	80	62 Å²	62	43%	0.428	32%	0.315	S	S	.	.	H	α-helix	trans	-64.6	-35.5	177.6	-59.2	-27.5	0	0	0	111.4	K1003 G1011	K1003-D1007 WeakPolarHBondContact CG-OD2 3.45Å; K1003-D1007 IonicContact NZ-OD1 3.43Å; K1003-D1007 PolarHBondContact NZ-OD1 2.76Å; K1003-D1007 IonicContact NZ-OD2 3.26Å; K1003-D1007 PolarHBondContact NZ-OD2 3.48Å; K1003-D1007 PolarHBondContact O-N 2.67Å; D1007-G1011 PolarHBondContact O-N 3.42Å
1008	Q	88.3	Confident	88	Confident	114 Å²	114	61.2 Å²	61.2	53%	0.533	31%	0.314	S	S	.	.	H	α-helix	trans	-65.7	-42.2	170.9	-78.3	176.9	7.2	0	0	112.6	P1004 K1005 I1006 E1010 G1011 D1012	P1004-Q1008 WeakPolarHBondContact O-CB 3.2Å; P1004-Q1008 VanDerWaalsContact O-CG 3.27Å; P1004-Q1008 WeakPolarHBondContact O-CG 3.39Å; P1004-Q1008 PolarHBondContact O-N 3.25Å; K1005-Q1008 PolarHBondContact O-N 2.85Å; I1006-Q1008 VanDerWaalsContact C-N 3.29Å; I1006-Q1008 PolarHBondContact O-N 3.37Å; Q1008-E1010 VanDerWaalsContact C-N 3.32Å; Q1008-G1011 PolarHBondContact O-N 3.29Å; Q1008-D1012 PolarHBondContact O-N 2.9Å
1009	L	90.7	Very high	87.7	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-65.2	-37.4	176.4	-175.1	73.6	0	0	0	111.8	F956 Q959 A960 I963 K1005 I1006 G1011 D1012 H1013 M1031 I1034	F956-L1009 HydrophobicContact CD2-CD1 3.54Å; F956-L1009 HydrophobicContact CD2-CG 4.11Å; F956-L1009 HydrophobicContact CE2-CD1 3.66Å; F956-L1009 HydrophobicContact CE2-CD2 4.34Å; F956-L1009 HydrophobicContact CE2-CG 3.8Å; F956-L1009 HydrophobicContact CG-CD1 4.09Å; F956-L1009 HydrophobicContact CZ-CD1 4.31Å; F956-L1009 WeakPolarHBondContact O-CD1 3.5Å; Q959-L1009 HydrophobicContact CB-CD1 3.56Å; A960-L1009 HydrophobicContact CB-CD1 4.08Å; A960-L1009 HydrophobicContact CB-CD2 4.28Å; I963-L1009 HydrophobicContact CD1-CB 3.87Å; I963-L1009 HydrophobicContact CD1-CD1 4.44Å; I963-L1009 HydrophobicContact CD1-CD2 3.83Å; I963-L1009 HydrophobicContact CD1-CG 4.26Å; K1005-L1009 PolarHBondContact O-N 2.69Å; I1006-L1009 PolarHBondContact O-N 2.72Å; I1006-L1009 VanDerWaalsContact O-N 3.14Å; L1009-G1011 VanDerWaalsContact C-N 3.32Å; L1009-D1012 PolarHBondContact O-N 3.16Å; L1009-H1013 WeakPolarHBondContact O-CB 3.43Å; L1009-H1013 PolarHBondContact O-N 3.07Å; L1009-M1031 HydrophobicContact CD2-CE 4.28Å; L1009-M1031 HydrophobicContact CD2-SD 3.8Å; L1009-M1031 HydrophobicContact CG-CE 4.48Å; L1009-M1031 HydrophobicContact CG-SD 3.92Å; L1009-I1034 HydrophobicContact CD2-CB 4.22Å; L1009-I1034 HydrophobicContact CD2-CG1 3.97Å; L1009-I1034 HydrophobicContact CD2-CG2 3.83Å
1010	E	87.9	Confident	87.3	Confident	63 Å²	63	66.8 Å²	66.8	29%	0.294	34%	0.344	S	S	.	.	H	α-helix	trans	-62.2	-41.4	172.7	-170.6	70.5	-143.6	0	0	110.5	I1006 Q1008 H1013 Q1014 M1031 R1035	I1006-E1010 WeakPolarHBondContact O-CB 3.41Å; I1006-E1010 PolarHBondContact O-N 2.77Å; Q1008-E1010 VanDerWaalsContact C-N 3.32Å; E1010-H1013 WeakPolarHBondContact O-CB 3.28Å; E1010-H1013 PolarHBondContact O-N 3.47Å; E1010-Q1014 WeakPolarHBondContact O-CB 3.39Å; E1010-Q1014 PolarHBondContact O-N 3.02Å; E1010-M1031 HydrophobicContact CB-CE 4.06Å; E1010-M1031 WeakPolarHBondContact OE2-CE 3.28Å; E1010-R1035 IonicContact OE1-CZ 2.73Å; E1010-R1035 IonicContact OE1-NE 3.04Å; E1010-R1035 IonicContact OE1-NH2 3.41Å; E1010-R1035 PolarHBondContact OE1-NH2 3.2Å; E1010-R1035 IonicContact OE2-CZ 3.49Å; E1010-R1035 IonicContact OE2-NE 3.76Å; E1010-R1035 PolarHBondContact OE2-NE 2.77Å; E1010-R1035 IonicContact OE2-NH2 2.87Å; E1010-R1035 PolarHBondContact OE2-NH2 3.43Å
1011	G	87.3	Confident	87.1	Confident	34 Å²	34	62.3 Å²	62.3	35%	0.351	32%	0.321	S	S	.	.	H	α-helix	trans	-62.1	-43.5	170.8	0	0	0	0	0	113.3	D1007 Q1008 L1009 H1013 Q1014 L1015	D1007-G1011 PolarHBondContact O-N 3.42Å; Q1008-G1011 PolarHBondContact O-N 3.29Å; L1009-G1011 VanDerWaalsContact C-N 3.32Å; G1011-H1013 VanDerWaalsContact C-N 3.29Å; G1011-H1013 PolarHBondContact O-N 3.13Å; G1011-Q1014 WeakPolarHBondContact O-CB 3.36Å; G1011-Q1014 PolarHBondContact O-N 3.16Å; G1011-L1015 WeakPolarHBondContact O-CG 3.36Å; G1011-L1015 PolarHBondContact O-N 3.47Å
1012	D	88.1	Confident	86.7	Confident	13 Å²	13	65.1 Å²	65.1	7%	0.07	33%	0.328	C	S	.	.	H	α-helix	trans	-62.7	-37.1	174.4	-71.5	-20.3	0	0	0	111.3	Q955 F956 Q959 Q1008 L1009 L1015 I1016	Q955-D1012 PolarHBondContact NE2-OD1 3Å; F956-D1012 HydrophobicContact CB-CB 4.41Å; F956-D1012 HydrophobicContact CD2-CB 4.31Å; Q959-D1012 PolarHBondContact NE2-OD2 3.27Å; Q1008-D1012 PolarHBondContact O-N 2.9Å; L1009-D1012 PolarHBondContact O-N 3.16Å; D1012-L1015 PolarHBondContact O-N 2.6Å; D1012-I1016 WeakPolarHBondContact O-CG1 2.97Å; D1012-I1016 PolarHBondContact O-N 2.83Å; D1012-I1016 VanDerWaalsContact O-N 3.12Å
1013	H	87.9	Confident	86.2	Confident	34 Å²	34	68.1 Å²	68.1	16%	0.157	35%	0.346	C	S	.	.	H	α-helix	trans	-67.9	-41.4	175.6	-168.1	56.9	0	0	0	112.2	F956 L1009 E1010 G1011 L1015 I1016 Q1017 M1031	F956-H1013 HydrophobicContact CD2-CB 4.1Å; F956-H1013 HydrophobicContact CE2-CB 3.77Å; F956-H1013 AromaticContact CE2-ND1 3.86Å; L1009-H1013 WeakPolarHBondContact O-CB 3.43Å; L1009-H1013 PolarHBondContact O-N 3.07Å; E1010-H1013 WeakPolarHBondContact O-CB 3.28Å; E1010-H1013 PolarHBondContact O-N 3.47Å; G1011-H1013 VanDerWaalsContact C-N 3.29Å; G1011-H1013 PolarHBondContact O-N 3.13Å; H1013-L1015 VanDerWaalsContact C-N 3.32Å; H1013-L1015 PolarHBondContact O-N 3.31Å; H1013-I1016 WeakPolarHBondContact O-CB 3.17Å; H1013-I1016 PolarHBondContact O-N 2.73Å; H1013-I1016 VanDerWaalsContact O-N 3.15Å; H1013-Q1017 PolarHBondContact NE2-NE2 2.95Å; H1013-Q1017 WeakPolarHBondContact O-CG 3.37Å; H1013-Q1017 PolarHBondContact O-N 3.08Å; H1013-M1031 HydrophobicContact CB-CB 4.42Å; H1013-M1031 HydrophobicContact CB-CG 4.14Å; H1013-M1031 HydrophobicContact CB-SD 4.28Å
1014	Q	87	Confident	86.1	Confident	85 Å²	85	65.4 Å²	65.4	40%	0.397	34%	0.336	S	S	.	.	H	α-helix	trans	-58.8	-45.3	174.9	-176.3	64.3	30.6	0	0	110.8	E1010 G1011 I1016 Q1017 E1018	E1010-Q1014 WeakPolarHBondContact O-CB 3.39Å; E1010-Q1014 PolarHBondContact O-N 3.02Å; G1011-Q1014 WeakPolarHBondContact O-CB 3.36Å; G1011-Q1014 PolarHBondContact O-N 3.16Å; Q1014-I1016 VanDerWaalsContact C-N 3.3Å; Q1014-I1016 PolarHBondContact O-N 3.17Å; Q1014-Q1017 PolarHBondContact O-N 2.8Å; Q1014-E1018 WeakPolarHBondContact CG-OE1 3.4Å; Q1014-E1018 PolarHBondContact NE2-OE1 2.86Å; Q1014-E1018 WeakPolarHBondContact O-CB 3.38Å; Q1014-E1018 WeakPolarHBondContact O-CG 3.23Å; Q1014-E1018 PolarHBondContact O-N 2.75Å
1015	L	86	Confident	85.9	Confident	78 Å²	78	68.9 Å²	68.9	41%	0.408	34%	0.344	S	S	.	.	H	α-helix	trans	-62.3	-35.6	175.8	-68.3	172.2	0	0	0	112.6	L952 G1011 D1012 H1013 A1019	L952-L1015 HydrophobicContact CD2-CB 4.04Å; L952-L1015 HydrophobicContact CD2-CD1 4.31Å; G1011-L1015 WeakPolarHBondContact O-CG 3.36Å; G1011-L1015 PolarHBondContact O-N 3.47Å; D1012-L1015 PolarHBondContact O-N 2.6Å; H1013-L1015 VanDerWaalsContact C-N 3.32Å; H1013-L1015 PolarHBondContact O-N 3.31Å; L1015-A1019 WeakPolarHBondContact O-CB 3.45Å; L1015-A1019 PolarHBondContact O-N 2.66Å
1016	I	86.5	Confident	86	Confident	10 Å²	10	67.2 Å²	67.2	5%	0.051	34%	0.337	C	S	.	.	H	α-helix	trans	-66.8	-42.7	174.4	-77	175.3	0	0	0	111.2	L952 F956 D1012 H1013 Q1014 A1019 L1020 I1021	L952-I1016 HydrophobicContact CB-CG1 3.9Å; F956-I1016 HydrophobicContact CB-CD1 3.3Å; F956-I1016 HydrophobicContact CD1-CD1 4.42Å; F956-I1016 HydrophobicContact CD2-CD1 4.12Å; F956-I1016 HydrophobicContact CG-CD1 3.7Å; D1012-I1016 WeakPolarHBondContact O-CG1 2.97Å; D1012-I1016 PolarHBondContact O-N 2.83Å; D1012-I1016 VanDerWaalsContact O-N 3.12Å; H1013-I1016 WeakPolarHBondContact O-CB 3.17Å; H1013-I1016 PolarHBondContact O-N 2.73Å; H1013-I1016 VanDerWaalsContact O-N 3.15Å; Q1014-I1016 VanDerWaalsContact C-N 3.3Å; Q1014-I1016 PolarHBondContact O-N 3.17Å; I1016-A1019 CarbonylContact O-C 3.5Å; I1016-A1019 PolarHBondContact O-N 3.49Å; I1016-L1020 PolarHBondContact O-N 2.86Å; I1016-I1021 HydrophobicContact CG2-CB 3.85Å; I1016-I1021 HydrophobicContact CG2-CG2 4.14Å; I1016-I1021 WeakPolarHBondContact CG2-O 3.48Å; I1016-I1021 PolarHBondContact O-N 3.04Å
1017	Q	81.9	Confident	86	Confident	86 Å²	86	67.3 Å²	67.3	40%	0.402	34%	0.339	S	S	.	.	H	α-helix	trans	-68.3	-42.6	177.9	-71.3	-171.4	-12.3	0	0	112.2	H1013 Q1014 A1019 L1020	H1013-Q1017 PolarHBondContact NE2-NE2 2.95Å; H1013-Q1017 WeakPolarHBondContact O-CG 3.37Å; H1013-Q1017 PolarHBondContact O-N 3.08Å; Q1014-Q1017 PolarHBondContact O-N 2.8Å; Q1017-A1019 PolarHBondContact O-N 2.89Å; Q1017-L1020 WeakPolarHBondContact O-CA 3.31Å; Q1017-L1020 PolarHBondContact O-N 3.05Å
1018	E	84.1	Confident	86	Confident	127 Å²	127	70.8 Å²	70.8	59%	0.593	36%	0.357	S	S	*	.	H	α-helix	trans	-63.5	-32.2	174.4	-73.1	173.8	-172.6	0	0	111.8	Q1014 L1020	Q1014-E1018 WeakPolarHBondContact CG-OE1 3.4Å; Q1014-E1018 PolarHBondContact NE2-OE1 2.86Å; Q1014-E1018 WeakPolarHBondContact O-CB 3.38Å; Q1014-E1018 WeakPolarHBondContact O-CG 3.23Å; Q1014-E1018 PolarHBondContact O-N 2.75Å; E1018-L1020 PolarHBondContact O-N 3.32Å
1019	A	82.4	Confident	86	Confident	33 Å²	33	68.5 Å²	68.5	27%	0.273	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	3.2	171.9	0	0	0	0	0	114.1	L952 L1015 I1016 Q1017 I1021	L952-A1019 HydrophobicContact CD1-CB 4.07Å; L1015-A1019 WeakPolarHBondContact O-CB 3.45Å; L1015-A1019 PolarHBondContact O-N 2.66Å; I1016-A1019 CarbonylContact O-C 3.5Å; I1016-A1019 PolarHBondContact O-N 3.49Å; Q1017-A1019 PolarHBondContact O-N 2.89Å; A1019-I1021 VanDerWaalsContact C-N 3.28Å; A1019-I1021 HydrophobicContact CB-CD1 3.8Å; A1019-I1021 HydrophobicContact CB-CG1 4.07Å; A1019-I1021 PolarHBondContact O-N 3.15Å
1020	L	81.6	Confident	85.9	Confident	128 Å²	128	71.9 Å²	71.9	67%	0.67	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	35	179.9	-56	174.8	0	0	0	114	I1016 Q1017 E1018 F1022	I1016-L1020 PolarHBondContact O-N 2.86Å; Q1017-L1020 WeakPolarHBondContact O-CA 3.31Å; Q1017-L1020 PolarHBondContact O-N 3.05Å; E1018-L1020 PolarHBondContact O-N 3.32Å; L1020-F1022 HydrophobicContact CB-CE2 4.32Å; L1020-F1022 HydrophobicContact CB-CZ 4.43Å; L1020-F1022 HydrophobicContact CD2-CZ 4.29Å; L1020-F1022 WeakPolarHBondContact O-CD2 3.33Å; L1020-F1022 VanDerWaalsContact O-CE2 3.31Å; L1020-F1022 WeakPolarHBondContact O-CE2 3.28Å
1021	I	83.8	Confident	85.9	Confident	7 Å²	7	69.1 Å²	69.1	4%	0.036	35%	0.352	C	S	.	.			trans	-98.4	119.2	177	-56.7	162.6	0	0	0	108.4	N949 L952 R953 I1016 A1019 D1023	N949-I1021 HydrophobicContact CB-CD1 3.48Å; N949-I1021 VanDerWaalsContact CB-CD1 3.48Å; N949-I1021 HydrophobicContact CB-CG1 4.09Å; L952-I1021 HydrophobicContact CB-CD1 4.46Å; L952-I1021 HydrophobicContact CD1-CD1 4.44Å; R953-I1021 HydrophobicContact CG-CG2 3.83Å; R953-I1021 VanDerWaalsContact NE-CG2 3.29Å; I1016-I1021 HydrophobicContact CG2-CB 3.85Å; I1016-I1021 HydrophobicContact CG2-CG2 4.14Å; I1016-I1021 WeakPolarHBondContact CG2-O 3.48Å; I1016-I1021 PolarHBondContact O-N 3.04Å; A1019-I1021 VanDerWaalsContact C-N 3.28Å; A1019-I1021 HydrophobicContact CB-CD1 3.8Å; A1019-I1021 HydrophobicContact CB-CG1 4.07Å; A1019-I1021 PolarHBondContact O-N 3.15Å; I1021-D1023 WeakPolarHBondContact CG2-O 3.41Å
1022	F	80.4	Confident	85.7	Confident	176 Å²	176	72.5 Å²	72.5	77%	0.772	36%	0.358	S	S	*	.			trans	-108.5	-12	-176.9	-55.8	-72.8	0	0	0	113.6	L1020	L1020-F1022 HydrophobicContact CB-CE2 4.32Å; L1020-F1022 HydrophobicContact CB-CZ 4.43Å; L1020-F1022 HydrophobicContact CD2-CZ 4.29Å; L1020-F1022 WeakPolarHBondContact O-CD2 3.33Å; L1020-F1022 VanDerWaalsContact O-CE2 3.31Å; L1020-F1022 WeakPolarHBondContact O-CE2 3.28Å
1023	D	81.3	Confident	85.7	Confident	92 Å²	92	77.4 Å²	77.4	49%	0.492	38%	0.381	S	S	.	.			trans	-118.8	141.7	-177	73.8	-55.1	0	0	0	111.6	R953 I1021	R953-D1023 IonicContact CZ-OD1 2.68Å; R953-D1023 PolarHBondContact NE-O 2.81Å; R953-D1023 IonicContact NE-OD1 2.69Å; R953-D1023 IonicContact NH2-OD1 3.08Å; R953-D1023 PolarHBondContact NH2-OD1 3.07Å; R953-D1023 IonicContact NH2-OD2 2.7Å; I1021-D1023 WeakPolarHBondContact CG2-O 3.41Å
1024	N	86.9	Confident	85.8	Confident	36 Å²	36	75.9 Å²	75.9	19%	0.193	37%	0.374	C	S	.	.			trans	-138.1	100.5	173.6	-165.7	-18.8	0	0	0	111.1	R953 F956 H1026 T1027	R953-N1024 PolarHBondContact O-ND2 2.81Å; R953-N1024 PolarHBondContact O-OD1 3.13Å; F956-N1024 WeakPolarHBondContact CD1-ND2 3.34Å; N1024-H1026 PolarHBondContact O-N 3.38Å; N1024-H1026 WeakPolarHBondContact OD1-CB 3.39Å; N1024-H1026 PolarHBondContact OD1-N 2.91Å; N1024-H1026 VanDerWaalsContact OD1-N 3.07Å; N1024-T1027 HydrophobicContact CB-CG2 4.36Å; N1024-T1027 VanDerWaalsContact O-O 3.13Å
1025	K	85.9	Confident	85.8	Confident	144 Å²	144	75.7 Å²	75.7	63%	0.626	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-8.4	178.7	65.4	-174.8	178.3	-176.1	0	115
1026	H	89.7	Confident	85.9	Confident	60 Å²	60	75.3 Å²	75.3	28%	0.278	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-4.9	-174.1	-58.9	-67.2	0	0	0	113.5	E950 A957 N961 N1024	E950-H1026 VanDerWaalsContact CD-NE2 3.34Å; E950-H1026 IonicContact OE1-CD2 3.63Å; E950-H1026 IonicContact OE1-CE1 2.98Å; E950-H1026 PolarHBondContact OE1-CE1 3.32Å; E950-H1026 IonicContact OE1-NE2 2.6Å; E950-H1026 PolarHBondContact OE1-NE2 3.39Å; E950-H1026 IonicContact OE2-NE2 2.93Å; E950-H1026 PolarHBondContact OE2-NE2 3.25Å; A957-H1026 HydrophobicContact CB-CB 3.41Å; A957-H1026 VanDerWaalsContact CB-CB 3.41Å; N961-H1026 PolarHBondContact ND2-O 3.02Å; N1024-H1026 PolarHBondContact O-N 3.38Å; N1024-H1026 WeakPolarHBondContact OD1-CB 3.39Å; N1024-H1026 PolarHBondContact OD1-N 2.91Å; N1024-H1026 VanDerWaalsContact OD1-N 3.07Å
1027	T	89.8	Confident	85.7	Confident	14 Å²	14	75.4 Å²	75.4	9%	0.086	37%	0.374	C	S	.	.			trans	-148.9	146	177	-174.4	0	0	0	0	111.1	F956 A957 N961 N1024 Y1029	F956-T1027 HydrophobicContact CD1-CG2 4.07Å; F956-T1027 HydrophobicContact CE1-CG2 4.03Å; A957-T1027 HydrophobicContact CB-CG2 3.85Å; N961-T1027 VanDerWaalsContact OD1-CB 3.24Å; N961-T1027 WeakPolarHBondContact OD1-CB 3.23Å; N961-T1027 PolarHBondContact OD1-OG1 3.12Å; N1024-T1027 HydrophobicContact CB-CG2 4.36Å; N1024-T1027 VanDerWaalsContact O-O 3.13Å; T1027-Y1029 VanDerWaalsContact C-N 3.34Å; T1027-Y1029 WeakPolarHBondContact CG2-O 3.35Å; T1027-Y1029 PolarHBondContact OG1-N 2.77Å
1028	N	88.4	Confident	86.1	Confident	153 Å²	153	72.2 Å²	72.2	82%	0.818	36%	0.358	S	S	*	.	S	Bend	trans	-89.1	-7.6	169.7	-62.7	-25.7	0	0	0	111.8
1029	Y	87.6	Confident	86.1	Confident	66 Å²	66	72 Å²	72	26%	0.259	36%	0.357	S	S	.	.			trans	-87.1	115.7	178.2	-66.1	-77.5	0	0	0	109.6	P965 T1027 H1033 I1034	P965-Y1029 HydrophobicContact CG-CE2 4.26Å; T1027-Y1029 VanDerWaalsContact C-N 3.34Å; T1027-Y1029 WeakPolarHBondContact CG2-O 3.35Å; T1027-Y1029 PolarHBondContact OG1-N 2.77Å; Y1029-H1033 HydrophobicContact CD1-CB 4.43Å; Y1029-I1034 HydrophobicContact CD1-CD1 3.94Å; Y1029-I1034 HydrophobicContact CG-CD1 4.11Å
1030	T	88.5	Confident	86.2	Confident	70 Å²	70	75.6 Å²	75.6	43%	0.429	37%	0.368	S	S	.	.			trans	-83	161.7	167.2	63.2	0	0	0	0	108.8	E1032 H1033 I1034	T1030-E1032 PolarHBondContact O-N 3.31Å; T1030-H1033 PolarHBondContact O-N 2.92Å; T1030-H1033 VanDerWaalsContact O-N 3.14Å; T1030-H1033 PolarHBondContact OG1-N 2.77Å; T1030-H1033 PolarHBondContact OG1-ND1 2.89Å; T1030-I1034 PolarHBondContact O-N 2.89Å
1031	M	87.6	Confident	86.5	Confident	5 Å²	5	69.5 Å²	69.5	3%	0.025	34%	0.336	C	S	.	.	H	α-helix	trans	-59.1	-33.4	175.7	-166.6	59.1	-156.6	0	0	111.3	F956 L1009 E1010 H1013 I1034 R1035	F956-M1031 HydrophobicContact CE2-CB 4.36Å; F956-M1031 HydrophobicContact CE2-SD 3.93Å; F956-M1031 HydrophobicContact CZ-CB 4.19Å; F956-M1031 HydrophobicContact CZ-SD 4.3Å; L1009-M1031 HydrophobicContact CD2-CE 4.28Å; L1009-M1031 HydrophobicContact CD2-SD 3.8Å; L1009-M1031 HydrophobicContact CG-CE 4.48Å; L1009-M1031 HydrophobicContact CG-SD 3.92Å; E1010-M1031 HydrophobicContact CB-CE 4.06Å; E1010-M1031 WeakPolarHBondContact OE2-CE 3.28Å; H1013-M1031 HydrophobicContact CB-CB 4.42Å; H1013-M1031 HydrophobicContact CB-CG 4.14Å; H1013-M1031 HydrophobicContact CB-SD 4.28Å; M1031-I1034 HydrophobicContact CE-CG2 4.49Å; M1031-I1034 PolarHBondContact O-N 2.86Å; M1031-R1035 HydrophobicContact CE-CG 4.09Å; M1031-R1035 HydrophobicContact CG-CG 4.44Å; M1031-R1035 WeakPolarHBondContact O-CG 3.47Å; M1031-R1035 PolarHBondContact O-N 3.27Å
1032	E	84.9	Confident	86.5	Confident	105 Å²	105	72.6 Å²	72.6	49%	0.491	35%	0.352	S	S	.	.	H	α-helix	trans	-64.2	-42.4	176.6	-160.6	59.6	-159.3	0	0	112.8	T1030 I1034 R1035 V1036	T1030-E1032 PolarHBondContact O-N 3.31Å; E1032-I1034 VanDerWaalsContact C-N 3.25Å; E1032-I1034 PolarHBondContact O-N 3Å; E1032-R1035 PolarHBondContact O-N 3.31Å; E1032-R1035 IonicContact OE2-NH1 3.83Å; E1032-R1035 PolarHBondContact OE2-NH1 2.93Å; E1032-V1036 HydrophobicContact CG-CG2 4.46Å; E1032-V1036 WeakPolarHBondContact O-CB 3.44Å; E1032-V1036 WeakPolarHBondContact O-CG2 3.13Å; E1032-V1036 PolarHBondContact O-N 3.18Å
1033	H	87.4	Confident	86.6	Confident	117 Å²	117	68.7 Å²	68.7	54%	0.542	34%	0.343	S	S	.	.	H	α-helix	trans	-58.7	-38.8	173.1	-70.4	143.8	0	0	0	111.9	Y1029 T1030 G1037	Y1029-H1033 HydrophobicContact CD1-CB 4.43Å; T1030-H1033 PolarHBondContact O-N 2.92Å; T1030-H1033 VanDerWaalsContact O-N 3.14Å; T1030-H1033 PolarHBondContact OG1-N 2.77Å; T1030-H1033 PolarHBondContact OG1-ND1 2.89Å; H1033-G1037 PolarHBondContact O-N 2.88Å
1034	I	89.4	Confident	86.6	Confident	1 Å²	1	65.4 Å²	65.4	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-72.5	-41.1	179	-58.4	-59.2	0	0	0	111.5	I963 I967 I1006 L1009 Y1029 T1030 M1031 E1032 W1038	I963-I1034 HydrophobicContact CG2-CD1 4.23Å; I963-I1034 HydrophobicContact CG2-CG2 3.75Å; I967-I1034 HydrophobicContact CD1-CG2 4.04Å; I1006-I1034 HydrophobicContact CD1-CG2 4.13Å; L1009-I1034 HydrophobicContact CD2-CB 4.22Å; L1009-I1034 HydrophobicContact CD2-CG1 3.97Å; L1009-I1034 HydrophobicContact CD2-CG2 3.83Å; Y1029-I1034 HydrophobicContact CD1-CD1 3.94Å; Y1029-I1034 HydrophobicContact CG-CD1 4.11Å; T1030-I1034 PolarHBondContact O-N 2.89Å; M1031-I1034 HydrophobicContact CE-CG2 4.49Å; M1031-I1034 PolarHBondContact O-N 2.86Å; E1032-I1034 VanDerWaalsContact C-N 3.25Å; E1032-I1034 PolarHBondContact O-N 3Å; I1034-W1038 WeakPolarHBondContact O-CB 3.31Å; I1034-W1038 PolarHBondContact O-N 3.04Å
1035	R	87.5	Confident	86.5	Confident	81 Å²	81	63.9 Å²	63.9	31%	0.306	32%	0.318	S	S	.	.	H	α-helix	trans	-62.4	-54.1	176.7	-72.9	-179.1	-170.2	152	-6.7	111.6	E1010 M1031 E1032 G1037 W1038 E1039	E1010-R1035 IonicContact OE1-CZ 2.73Å; E1010-R1035 IonicContact OE1-NE 3.04Å; E1010-R1035 IonicContact OE1-NH2 3.41Å; E1010-R1035 PolarHBondContact OE1-NH2 3.2Å; E1010-R1035 IonicContact OE2-CZ 3.49Å; E1010-R1035 IonicContact OE2-NE 3.76Å; E1010-R1035 PolarHBondContact OE2-NE 2.77Å; E1010-R1035 IonicContact OE2-NH2 2.87Å; E1010-R1035 PolarHBondContact OE2-NH2 3.43Å; M1031-R1035 HydrophobicContact CE-CG 4.09Å; M1031-R1035 HydrophobicContact CG-CG 4.44Å; M1031-R1035 WeakPolarHBondContact O-CG 3.47Å; M1031-R1035 PolarHBondContact O-N 3.27Å; E1032-R1035 PolarHBondContact O-N 3.31Å; E1032-R1035 IonicContact OE2-NH1 3.83Å; E1032-R1035 PolarHBondContact OE2-NH1 2.93Å; R1035-G1037 VanDerWaalsContact C-N 3.33Å; R1035-G1037 PolarHBondContact O-N 2.98Å; R1035-W1038 PolarHBondContact O-N 2.9Å; R1035-W1038 VanDerWaalsContact O-N 3.15Å; R1035-E1039 WeakPolarHBondContact O-CB 3.35Å; R1035-E1039 WeakPolarHBondContact O-CG 3.34Å; R1035-E1039 PolarHBondContact O-N 2.98Å
1036	V	87.6	Confident	86.2	Confident	71 Å²	71	59.7 Å²	59.7	43%	0.43	31%	0.31	S	S	.	.	H	α-helix	trans	-59.9	-45.9	178.8	174.8	0	0	0	0	110.3	E1032 W1038 E1039 Q1040	E1032-V1036 HydrophobicContact CG-CG2 4.46Å; E1032-V1036 WeakPolarHBondContact O-CB 3.44Å; E1032-V1036 WeakPolarHBondContact O-CG2 3.13Å; E1032-V1036 PolarHBondContact O-N 3.18Å; V1036-W1038 VanDerWaalsContact C-N 3.32Å; V1036-W1038 PolarHBondContact O-N 3.04Å; V1036-E1039 PolarHBondContact O-N 2.96Å; V1036-Q1040 WeakPolarHBondContact O-CB 3.26Å; V1036-Q1040 PolarHBondContact O-N 2.91Å
1037	G	83.8	Confident	85.7	Confident	12 Å²	12	63.5 Å²	63.5	12%	0.124	32%	0.322	C	S	.	.	H	α-helix	trans	-60.4	-40.6	176.6	0	0	0	0	0	112.8	I967 M971 H1033 R1035 L1041	I967-G1037 WeakPolarHBondContact CG2-O 3.23Å; M971-G1037 WeakPolarHBondContact CE-O 3.36Å; H1033-G1037 PolarHBondContact O-N 2.88Å; R1035-G1037 VanDerWaalsContact C-N 3.33Å; R1035-G1037 PolarHBondContact O-N 2.98Å; G1037-L1041 VanDerWaalsContact O-CB 3.24Å; G1037-L1041 WeakPolarHBondContact O-CB 3.36Å; G1037-L1041 PolarHBondContact O-N 2.95Å
1038	W	89.1	Confident	85.2	Confident	18 Å²	18	63.2 Å²	63.2	7%	0.068	32%	0.32	C	S	.	.	H	α-helix	trans	-70.2	-45.5	178.9	-177.7	-98.8	0	0	0	112.9	W966 I967 I999 Y1002 K1003 I1006 I1034 R1035 V1036 L1041 L1042	W966-W1038 HydrophobicContact CE3-CZ3 4.42Å; W966-W1038 HydrophobicContact CH2-CZ3 4.18Å; W966-W1038 HydrophobicContact CZ3-CE3 4.35Å; W966-W1038 HydrophobicContact CZ3-CH2 4.41Å; W966-W1038 AromaticContact CZ3-CZ3 3.56Å; W966-W1038 HydrophobicContact CZ3-CZ3 3.56Å; I967-W1038 HydrophobicContact CD1-CB 4.19Å; I967-W1038 HydrophobicContact CD1-CE3 4.18Å; I967-W1038 HydrophobicContact CG1-CE3 4.15Å; I999-W1038 HydrophobicContact CG2-CH2 3.65Å; I999-W1038 HydrophobicContact CG2-CZ2 3.83Å; I999-W1038 HydrophobicContact CG2-CZ3 4.25Å; I999-W1038 VanDerWaalsContact O-CH2 3.24Å; I999-W1038 WeakPolarHBondContact O-CH2 3.17Å; Y1002-W1038 HydrophobicContact CD1-CZ3 4.25Å; K1003-W1038 HydrophobicContact CB-CZ2 4.02Å; I1006-W1038 HydrophobicContact CD1-CD2 4.09Å; I1006-W1038 HydrophobicContact CD1-CE3 3.64Å; I1006-W1038 HydrophobicContact CD1-CZ3 3.93Å; I1006-W1038 HydrophobicContact CG1-CD2 3.73Å; I1006-W1038 HydrophobicContact CG1-CE3 3.59Å; I1006-W1038 HydrophobicContact CG1-CG 4.39Å; I1006-W1038 HydrophobicContact CG1-CH2 3.92Å; I1006-W1038 HydrophobicContact CG1-CZ2 4.09Å; I1006-W1038 HydrophobicContact CG1-CZ3 3.66Å; I1034-W1038 WeakPolarHBondContact O-CB 3.31Å; I1034-W1038 PolarHBondContact O-N 3.04Å; R1035-W1038 PolarHBondContact O-N 2.9Å; R1035-W1038 VanDerWaalsContact O-N 3.15Å; V1036-W1038 VanDerWaalsContact C-N 3.32Å; V1036-W1038 PolarHBondContact O-N 3.04Å; W1038-L1041 HydrophobicContact CE3-CD2 4.39Å; W1038-L1041 WeakPolarHBondContact O-CB 2.77Å; W1038-L1041 PolarHBondContact O-N 2.79Å; W1038-L1042 WeakPolarHBondContact O-CG 3.06Å; W1038-L1042 PolarHBondContact O-N 3.4Å
1039	E	85.5	Confident	84.9	Confident	124 Å²	124	56.1 Å²	56.1	58%	0.579	28%	0.283	S	S	*	.	H	α-helix	trans	-63.8	-41.9	176.5	-72.5	177.5	-178.6	0	0	111.6	R1035 V1036 L1041 L1042 T1043	R1035-E1039 WeakPolarHBondContact O-CB 3.35Å; R1035-E1039 WeakPolarHBondContact O-CG 3.34Å; R1035-E1039 PolarHBondContact O-N 2.98Å; V1036-E1039 PolarHBondContact O-N 2.96Å; E1039-L1041 VanDerWaalsContact C-N 3.33Å; E1039-L1041 PolarHBondContact O-N 2.95Å; E1039-L1042 PolarHBondContact O-N 3.11Å; E1039-T1043 WeakPolarHBondContact O-CB 3.32Å; E1039-T1043 PolarHBondContact O-N 2.79Å; E1039-T1043 PolarHBondContact O-OG1 3.2Å
1040	Q	84.3	Confident	84.3	Confident	108 Å²	108	57 Å²	57	51%	0.505	29%	0.292	S	S	.	.	H	α-helix	trans	-65.2	-37.2	174.2	-174.2	176.6	11.4	0	0	111.3	M971 V1036 T1043 T1044	M971-Q1040 HydrophobicContact CE-CB 3.56Å; M971-Q1040 HydrophobicContact CE-CG 3.58Å; V1036-Q1040 WeakPolarHBondContact O-CB 3.26Å; V1036-Q1040 PolarHBondContact O-N 2.91Å; Q1040-T1043 PolarHBondContact O-N 2.98Å; Q1040-T1044 WeakPolarHBondContact O-CB 3.38Å; Q1040-T1044 PolarHBondContact O-N 3.5Å; Q1040-T1044 PolarHBondContact O-OG1 3Å
1041	L	86.8	Confident	83.7	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-64.2	-44.5	175.7	177.8	66.6	0	0	0	111.3	W966 I967 K970 M971 I974 I999 G1037 W1038 E1039 T1044 I1045	W966-L1041 HydrophobicContact CZ3-CD2 3.85Å; I967-L1041 HydrophobicContact CG1-CD2 4.46Å; I967-L1041 HydrophobicContact CG2-CB 4.34Å; I967-L1041 HydrophobicContact CG2-CD2 4.33Å; K970-L1041 HydrophobicContact CB-CD1 3.95Å; K970-L1041 HydrophobicContact CB-CD2 4.17Å; M971-L1041 HydrophobicContact CB-CD1 4.44Å; M971-L1041 HydrophobicContact CE-CB 4.02Å; M971-L1041 HydrophobicContact CG-CB 4.33Å; M971-L1041 HydrophobicContact CG-CD1 3.68Å; I974-L1041 HydrophobicContact CD1-CD1 3.49Å; I974-L1041 VanDerWaalsContact CD1-CD1 3.49Å; I999-L1041 HydrophobicContact CD1-CD1 4.25Å; I999-L1041 HydrophobicContact CD1-CD2 4.14Å; I999-L1041 HydrophobicContact CD1-CG 4Å; I999-L1041 HydrophobicContact CG1-CD2 4.16Å; G1037-L1041 VanDerWaalsContact O-CB 3.24Å; G1037-L1041 WeakPolarHBondContact O-CB 3.36Å; G1037-L1041 PolarHBondContact O-N 2.95Å; W1038-L1041 HydrophobicContact CE3-CD2 4.39Å; W1038-L1041 WeakPolarHBondContact O-CB 2.77Å; W1038-L1041 PolarHBondContact O-N 2.79Å; E1039-L1041 VanDerWaalsContact C-N 3.33Å; E1039-L1041 PolarHBondContact O-N 2.95Å; L1041-T1044 PolarHBondContact O-N 3.4Å; L1041-I1045 WeakPolarHBondContact O-CG2 3.36Å; L1041-I1045 PolarHBondContact O-N 3.33Å
1042	L	84.7	Confident	83.2	Confident	71 Å²	71	57.6 Å²	57.6	37%	0.372	29%	0.289	S	S	.	.	H	α-helix	trans	-62.2	-45.1	175.2	-74.2	172.5	0	0	0	112.1	I999 W1038 E1039 T1044 I1045 A1046	I999-L1042 HydrophobicContact CG2-CD2 3.78Å; W1038-L1042 WeakPolarHBondContact O-CG 3.06Å; W1038-L1042 PolarHBondContact O-N 3.4Å; E1039-L1042 PolarHBondContact O-N 3.11Å; L1042-T1044 VanDerWaalsContact C-N 3.34Å; L1042-I1045 WeakPolarHBondContact O-CG2 3.41Å; L1042-A1046 VanDerWaalsContact O-CB 3.3Å; L1042-A1046 WeakPolarHBondContact O-CB 3.39Å; L1042-A1046 PolarHBondContact O-N 2.9Å
1043	T	81.9	Confident	82.8	Confident	95 Å²	95	55.9 Å²	55.9	58%	0.583	28%	0.281	S	S	*	.	H	α-helix	trans	-65.8	-40.7	178.5	-54.2	0	0	0	0	110.8	E1039 Q1040 R1047	E1039-T1043 WeakPolarHBondContact O-CB 3.32Å; E1039-T1043 PolarHBondContact O-N 2.79Å; E1039-T1043 PolarHBondContact O-OG1 3.2Å; Q1040-T1043 PolarHBondContact O-N 2.98Å; T1043-R1047 WeakPolarHBondContact O-CB 3.43Å; T1043-R1047 PolarHBondContact O-N 2.8Å
1044	T	81.8	Confident	81.8	Confident	23 Å²	23	53.8 Å²	53.8	14%	0.141	27%	0.274	C	S	.	.	H	α-helix	trans	-65.2	-48.9	179.3	-59.2	0	0	0	0	110.7	I974 Q1040 L1041 L1042 A1046 R1047 T1048	I974-T1044 HydrophobicContact CG2-CG2 4.15Å; Q1040-T1044 WeakPolarHBondContact O-CB 3.38Å; Q1040-T1044 PolarHBondContact O-N 3.5Å; Q1040-T1044 PolarHBondContact O-OG1 3Å; L1041-T1044 PolarHBondContact O-N 3.4Å; L1042-T1044 VanDerWaalsContact C-N 3.34Å; T1044-A1046 PolarHBondContact O-N 3.39Å; T1044-R1047 PolarHBondContact O-N 3.3Å; T1044-T1048 WeakPolarHBondContact O-CB 3.46Å; T1044-T1048 PolarHBondContact O-N 3.13Å; T1044-T1048 PolarHBondContact O-OG1 2.91Å
1045	I	84.6	Confident	80.7	Confident	4 Å²	4	54.8 Å²	54.8	2%	0.021	28%	0.279	C	S	.	.	H	α-helix	trans	-66	-39.3	179.8	-162.8	163.9	0	0	0	112.4	I974 E996 I999 L1041 L1042 T1048 I1049	I974-I1045 HydrophobicContact CD1-CB 3.91Å; I974-I1045 HydrophobicContact CD1-CD1 4.04Å; I974-I1045 HydrophobicContact CD1-CG1 4.17Å; I974-I1045 HydrophobicContact CG1-CD1 4.39Å; E996-I1045 HydrophobicContact CB-CD1 3.99Å; E996-I1045 VanDerWaalsContact N-CD1 3.32Å; I999-I1045 HydrophobicContact CD1-CB 4.35Å; I999-I1045 HydrophobicContact CD1-CD1 3.57Å; I999-I1045 HydrophobicContact CD1-CG2 4.12Å; L1041-I1045 WeakPolarHBondContact O-CG2 3.36Å; L1041-I1045 PolarHBondContact O-N 3.33Å; L1042-I1045 WeakPolarHBondContact O-CG2 3.41Å; I1045-T1048 PolarHBondContact O-N 2.74Å; I1045-I1049 HydrophobicContact CG1-CD1 3.91Å; I1045-I1049 HydrophobicContact CG1-CG1 4.32Å; I1045-I1049 WeakPolarHBondContact O-CB 3.47Å; I1045-I1049 VanDerWaalsContact O-CG1 3.25Å; I1045-I1049 WeakPolarHBondContact O-CG1 3.43Å; I1045-I1049 PolarHBondContact O-N 3.37Å
1046	A	79.3	Confident	79.8	Confident	55 Å²	55	52.1 Å²	52.1	46%	0.455	27%	0.27	S	S	.	.	H	α-helix	trans	-63.8	-43.1	176.3	0	0	0	0	0	111.6	L1042 T1044 N1050	L1042-A1046 VanDerWaalsContact O-CB 3.3Å; L1042-A1046 WeakPolarHBondContact O-CB 3.39Å; L1042-A1046 PolarHBondContact O-N 2.9Å; T1044-A1046 PolarHBondContact O-N 3.39Å; A1046-N1050 VanDerWaalsContact O-CB 3.29Å; A1046-N1050 WeakPolarHBondContact O-CB 3.18Å; A1046-N1050 PolarHBondContact O-N 3.28Å
1047	R	79.8	Confident	78.9	Confident	141 Å²	141	54.2 Å²	54.2	53%	0.532	28%	0.279	S	S	.	.	H	α-helix	trans	-62.4	-48.5	175	179.9	-178.3	57.4	150.9	0	111.5	T1043 T1044 N1050 E1051	T1043-R1047 WeakPolarHBondContact O-CB 3.43Å; T1043-R1047 PolarHBondContact O-N 2.8Å; T1044-R1047 PolarHBondContact O-N 3.3Å; R1047-N1050 PolarHBondContact O-N 3.49Å; R1047-E1051 HydrophobicContact CG-CG 4.47Å; R1047-E1051 WeakPolarHBondContact CG-OE1 3.46Å; R1047-E1051 WeakPolarHBondContact O-CB 3.43Å; R1047-E1051 WeakPolarHBondContact O-CG 2.92Å; R1047-E1051 PolarHBondContact O-N 3.5Å
1048	T	79.6	Confident	77.8	Confident	7 Å²	7	54.6 Å²	54.6	4%	0.043	28%	0.279	C	S	.	.	H	α-helix	trans	-66.8	-38.2	-178.7	-52.1	0	0	0	0	112.1	I974 S978 L992 T1044 I1045 E1051 I1052	I974-T1048 HydrophobicContact CG2-CG2 4.33Å; S978-T1048 VanDerWaalsContact OG-CG2 3.23Å; S978-T1048 WeakPolarHBondContact OG-CG2 3.45Å; L992-T1048 HydrophobicContact CD1-CG2 3.8Å; L992-T1048 HydrophobicContact CD2-CG2 4.43Å; T1044-T1048 WeakPolarHBondContact O-CB 3.46Å; T1044-T1048 PolarHBondContact O-N 3.13Å; T1044-T1048 PolarHBondContact O-OG1 2.91Å; I1045-T1048 PolarHBondContact O-N 2.74Å; T1048-E1051 PolarHBondContact O-N 2.94Å; T1048-I1052 WeakPolarHBondContact O-CG1 3.26Å; T1048-I1052 PolarHBondContact O-N 3.39Å
1049	I	80.5	Confident	76.8	Confident	5 Å²	5	54.9 Å²	54.9	3%	0.026	28%	0.28	C	S	.	.	H	α-helix	trans	-60.3	-49.4	171.8	-74.5	170.5	0	0	0	110	L989 L992 E996 I1045 E1051 I1052 E1053	L989-I1049 HydrophobicContact CD1-CG2 4Å; L992-I1049 HydrophobicContact CB-CD1 4.29Å; L992-I1049 HydrophobicContact CB-CG1 3.72Å; L992-I1049 HydrophobicContact CD1-CG1 4.08Å; E996-I1049 HydrophobicContact CB-CD1 4.13Å; E996-I1049 HydrophobicContact CG-CD1 4.49Å; I1045-I1049 HydrophobicContact CG1-CD1 3.91Å; I1045-I1049 HydrophobicContact CG1-CG1 4.32Å; I1045-I1049 WeakPolarHBondContact O-CB 3.47Å; I1045-I1049 VanDerWaalsContact O-CG1 3.25Å; I1045-I1049 WeakPolarHBondContact O-CG1 3.43Å; I1045-I1049 PolarHBondContact O-N 3.37Å; I1049-E1051 VanDerWaalsContact C-N 3.31Å; I1049-E1051 PolarHBondContact O-N 3.48Å; I1049-I1052 PolarHBondContact O-N 2.97Å; I1049-E1053 HydrophobicContact CG2-CG 4.26Å; I1049-E1053 WeakPolarHBondContact O-CB 3.48Å; I1049-E1053 WeakPolarHBondContact O-CG 3.34Å; I1049-E1053 PolarHBondContact O-N 3.43Å
1050	N	76.9	Confident	75.8	Confident	84 Å²	84	53.9 Å²	53.9	45%	0.449	28%	0.278	S	S	.	.	H	α-helix	trans	-62.4	-38.7	179	-172.1	17.8	0	0	0	111.7	A1046 R1047 E1053 N1054	A1046-N1050 VanDerWaalsContact O-CB 3.29Å; A1046-N1050 WeakPolarHBondContact O-CB 3.18Å; A1046-N1050 PolarHBondContact O-N 3.28Å; R1047-N1050 PolarHBondContact O-N 3.49Å; N1050-E1053 PolarHBondContact O-N 3.48Å; N1050-N1054 VanDerWaalsContact O-CB 3.31Å; N1050-N1054 WeakPolarHBondContact O-CB 3.46Å; N1050-N1054 PolarHBondContact O-N 2.75Å; N1050-N1054 PolarHBondContact O-ND2 2.84Å; N1050-N1054 PolarHBondContact OD1-ND2 3.45Å
1051	E	75.9	Confident	74.6	Confident	83 Å²	83	52.4 Å²	52.4	39%	0.388	29%	0.285	S	S	.	.	H	α-helix	trans	-60.9	-45.7	173.7	-77.8	168.3	-174.7	0	0	111.9	R1047 T1048 I1049 Q1055	R1047-E1051 HydrophobicContact CG-CG 4.47Å; R1047-E1051 WeakPolarHBondContact CG-OE1 3.46Å; R1047-E1051 WeakPolarHBondContact O-CB 3.43Å; R1047-E1051 WeakPolarHBondContact O-CG 2.92Å; R1047-E1051 PolarHBondContact O-N 3.5Å; T1048-E1051 PolarHBondContact O-N 2.94Å; I1049-E1051 VanDerWaalsContact C-N 3.31Å; I1049-E1051 PolarHBondContact O-N 3.48Å; E1051-Q1055 WeakPolarHBondContact O-CG 3.31Å; E1051-Q1055 PolarHBondContact O-N 2.93Å
1052	I	76.8	Confident	73.3	Confident	4 Å²	4	55.7 Å²	55.7	2%	0.021	30%	0.299	C	S	.	.	H	α-helix	trans	-68	-40.8	176.6	-65.7	-168	0	0	0	111.3	L985 Q988 L989 L992 T1048 I1049 N1054 Q1055 I1056	L985-I1052 HydrophobicContact CB-CG2 4.48Å; L985-I1052 HydrophobicContact CD2-CG2 4.49Å; Q988-I1052 HydrophobicContact CB-CD1 3.85Å; L989-I1052 HydrophobicContact CB-CG2 4.07Å; L989-I1052 HydrophobicContact CD1-CG2 4.43Å; L992-I1052 HydrophobicContact CD1-CD1 3.48Å; L992-I1052 VanDerWaalsContact CD1-CD1 3.48Å; L992-I1052 HydrophobicContact CD1-CG1 4.23Å; T1048-I1052 WeakPolarHBondContact O-CG1 3.26Å; T1048-I1052 PolarHBondContact O-N 3.39Å; I1049-I1052 PolarHBondContact O-N 2.97Å; I1052-N1054 PolarHBondContact O-N 3.18Å; I1052-Q1055 WeakPolarHBondContact O-CB 3.3Å; I1052-Q1055 PolarHBondContact O-N 2.59Å; I1052-Q1055 VanDerWaalsContact O-N 3.15Å; I1052-I1056 HydrophobicContact CG2-CD1 4.14Å; I1052-I1056 HydrophobicContact CG2-CG1 4.44Å; I1052-I1056 WeakPolarHBondContact O-CG1 3.04Å; I1052-I1056 PolarHBondContact O-N 3.49Å
1053	E	74.9	Confident	72.1	Confident	69 Å²	69	55.5 Å²	55.5	32%	0.322	31%	0.314	S	S	.	.	H	α-helix	trans	-61.9	-43.2	176.3	-74.6	177	163.6	0	0	111.7	L989 R993 I1049 N1050 Q1055 I1056 L1057	L989-E1053 HydrophobicContact CD1-CG 3.81Å; L989-E1053 HydrophobicContact CD2-CG 4.15Å; R993-E1053 IonicContact CZ-OE1 3.34Å; R993-E1053 IonicContact NE-OE1 3.27Å; R993-E1053 IonicContact NH2-OE1 3.29Å; R993-E1053 PolarHBondContact NH2-OE1 2.81Å; R993-E1053 IonicContact NH2-OE2 3.81Å; I1049-E1053 HydrophobicContact CG2-CG 4.26Å; I1049-E1053 WeakPolarHBondContact O-CB 3.48Å; I1049-E1053 WeakPolarHBondContact O-CG 3.34Å; I1049-E1053 PolarHBondContact O-N 3.43Å; N1050-E1053 PolarHBondContact O-N 3.48Å; E1053-Q1055 VanDerWaalsContact C-N 3.3Å; E1053-Q1055 PolarHBondContact O-N 3.07Å; E1053-I1056 PolarHBondContact O-N 3.4Å; E1053-L1057 WeakPolarHBondContact O-CB 3.34Å; E1053-L1057 PolarHBondContact O-N 2.76Å
1054	N	68.3	Low	71.3	Confident	74 Å²	74	51.8 Å²	51.8	40%	0.396	29%	0.291	S	S	.	.	H	α-helix	trans	-64.6	-34.3	173.7	-73.2	-41.3	0	0	0	112.2	N1050 I1052 L1057 T1058	N1050-N1054 VanDerWaalsContact O-CB 3.31Å; N1050-N1054 WeakPolarHBondContact O-CB 3.46Å; N1050-N1054 PolarHBondContact O-N 2.75Å; N1050-N1054 PolarHBondContact O-ND2 2.84Å; N1050-N1054 PolarHBondContact OD1-ND2 3.45Å; I1052-N1054 PolarHBondContact O-N 3.18Å; N1054-L1057 PolarHBondContact O-N 3.3Å; N1054-T1058 WeakPolarHBondContact O-CB 3.15Å; N1054-T1058 PolarHBondContact O-N 2.97Å; N1054-T1058 PolarHBondContact O-OG1 2.79Å
1055	Q	65.9	Low	70.6	Confident	21 Å²	21	53 Å²	53	10%	0.098	30%	0.301	C	S	.	.	H	α-helix	trans	-67.7	-42.4	174.4	-73.7	166.5	28.6	0	0	111.9	L985 E1051 I1052 E1053 L1057 T1058 R1059	L985-Q1055 HydrophobicContact CD1-CB 4.34Å; E1051-Q1055 WeakPolarHBondContact O-CG 3.31Å; E1051-Q1055 PolarHBondContact O-N 2.93Å; I1052-Q1055 WeakPolarHBondContact O-CB 3.3Å; I1052-Q1055 PolarHBondContact O-N 2.59Å; I1052-Q1055 VanDerWaalsContact O-N 3.15Å; E1053-Q1055 VanDerWaalsContact C-N 3.3Å; E1053-Q1055 PolarHBondContact O-N 3.07Å; Q1055-L1057 VanDerWaalsContact C-N 3.33Å; Q1055-T1058 PolarHBondContact O-N 3.01Å; Q1055-R1059 WeakPolarHBondContact O-CB 3.34Å; Q1055-R1059 PolarHBondContact O-N 3.17Å
1056	I	69	Low	69.5	Low	25 Å²	25	55.2 Å²	55.2	13%	0.128	31%	0.311	C	S	.	.	H	α-helix	trans	-61	-45.8	173.7	-67.4	173.2	0	0	0	109.9	L985 L989 I1052 E1053 T1058 R1059 D1060	L985-I1056 HydrophobicContact CB-CD1 4.11Å; L985-I1056 HydrophobicContact CB-CG1 3.7Å; L985-I1056 HydrophobicContact CD1-CG1 4.04Å; L989-I1056 HydrophobicContact CB-CD1 4.43Å; L989-I1056 HydrophobicContact CD2-CD1 3.85Å; I1052-I1056 HydrophobicContact CG2-CD1 4.14Å; I1052-I1056 HydrophobicContact CG2-CG1 4.44Å; I1052-I1056 WeakPolarHBondContact O-CG1 3.04Å; I1052-I1056 PolarHBondContact O-N 3.49Å; E1053-I1056 PolarHBondContact O-N 3.4Å; I1056-T1058 VanDerWaalsContact C-N 3.34Å; I1056-T1058 PolarHBondContact O-N 2.62Å; I1056-R1059 WeakPolarHBondContact O-CB 3.42Å; I1056-R1059 PolarHBondContact O-N 3.22Å; I1056-D1060 WeakPolarHBondContact O-CB 3.44Å; I1056-D1060 PolarHBondContact O-N 3.26Å
1057	L	66.9	Low	69	Low	115 Å²	115	60.4 Å²	60.4	60%	0.602	33%	0.325	S	S	*	.	H	α-helix	trans	-65.7	-37.4	-179.7	-151.8	146.9	0	0	0	111.7	E1053 N1054 Q1055 A1061	E1053-L1057 WeakPolarHBondContact O-CB 3.34Å; E1053-L1057 PolarHBondContact O-N 2.76Å; N1054-L1057 PolarHBondContact O-N 3.3Å; Q1055-L1057 VanDerWaalsContact C-N 3.33Å; L1057-A1061 WeakPolarHBondContact O-CB 3.48Å; L1057-A1061 PolarHBondContact O-N 3.25Å
1058	T	61.3	Low	68.5	Low	21 Å²	21	58 Å²	58	13%	0.129	32%	0.32	C	S	.	.	H	α-helix	trans	-67	-43.2	174.7	-57.3	0	0	0	0	111.4	N1054 Q1055 I1056 K1062 Q1131 I1134	N1054-T1058 WeakPolarHBondContact O-CB 3.15Å; N1054-T1058 PolarHBondContact O-N 2.97Å; N1054-T1058 PolarHBondContact O-OG1 2.79Å; Q1055-T1058 PolarHBondContact O-N 3.01Å; I1056-T1058 VanDerWaalsContact C-N 3.34Å; I1056-T1058 PolarHBondContact O-N 2.62Å; T1058-K1062 HydrophobicContact CG2-CD 3.93Å; T1058-K1062 VanDerWaalsContact O-CB 3.29Å; T1058-K1062 WeakPolarHBondContact O-CB 3.36Å; T1058-K1062 WeakPolarHBondContact O-CG 3.48Å; T1058-K1062 PolarHBondContact O-N 3.06Å; T1058-Q1131 PolarHBondContact OG1-NE2 3.42Å; T1058-I1134 HydrophobicContact CG2-CG2 4.1Å
1059	R	67.4	Low	68	Low	24 Å²	24	57.8 Å²	57.8	9%	0.091	32%	0.319	C	S	.	.	H	α-helix	trans	-58.3	-50	174.3	-177.3	-161.4	67.6	-169.7	-4.5	110.9	E986 Q1055 I1056 G1063 I1064 L1069	E986-R1059 VanDerWaalsContact CD-NH1 3.35Å; E986-R1059 IonicContact OE1-CZ 2.78Å; E986-R1059 IonicContact OE1-NH1 3.67Å; E986-R1059 PolarHBondContact OE1-NH1 3.42Å; E986-R1059 IonicContact OE1-NH2 2.7Å; E986-R1059 PolarHBondContact OE1-NH2 2.68Å; E986-R1059 IonicContact OE2-NH1 2.78Å; E986-R1059 PolarHBondContact OE2-NH1 2.92Å; Q1055-R1059 WeakPolarHBondContact O-CB 3.34Å; Q1055-R1059 PolarHBondContact O-N 3.17Å; I1056-R1059 WeakPolarHBondContact O-CB 3.42Å; I1056-R1059 PolarHBondContact O-N 3.22Å; R1059-G1063 PolarHBondContact O-N 2.79Å; R1059-I1064 WeakPolarHBondContact CG-O 3.45Å; R1059-I1064 PolarHBondContact O-N 3.48Å; R1059-L1069 HydrophobicContact CB-CD1 4.29Å
1060	D	64.8	Low	67.5	Low	102 Å²	102	61.5 Å²	61.5	55%	0.545	34%	0.339	S	S	.	.	H	α-helix	trans	-71.7	-37.3	-175.1	-67.4	-5.3	0	0	0	112.2	I1056	I1056-D1060 WeakPolarHBondContact O-CB 3.44Å; I1056-D1060 PolarHBondContact O-N 3.26Å
1061	A	58.6	Low	67.3	Low	78 Å²	78	63.2 Å²	63.2	65%	0.645	34%	0.344	S	S	*	.	H	α-helix	trans	-74.1	-31.4	178.9	0	0	0	0	0	113.3	L1057	L1057-A1061 WeakPolarHBondContact O-CB 3.48Å; L1057-A1061 PolarHBondContact O-N 3.25Å
1062	K	59.8	Low	67.2	Low	69 Å²	69	60.4 Å²	60.4	30%	0.3	33%	0.331	S	S	.	.	H	α-helix	trans	-101.4	-2.1	-176.9	-61.9	-173.5	174.7	-178.9	0	114	T1058 I1064 D1135 S1138	T1058-K1062 HydrophobicContact CG2-CD 3.93Å; T1058-K1062 VanDerWaalsContact O-CB 3.29Å; T1058-K1062 WeakPolarHBondContact O-CB 3.36Å; T1058-K1062 WeakPolarHBondContact O-CG 3.48Å; T1058-K1062 PolarHBondContact O-N 3.06Å; K1062-I1064 VanDerWaalsContact C-N 3.29Å; K1062-I1064 HydrophobicContact CB-CD1 4.09Å; K1062-I1064 HydrophobicContact CB-CG1 4.02Å; K1062-I1064 PolarHBondContact O-N 2.9Å; K1062-D1135 IonicContact NZ-OD1 3.68Å; K1062-D1135 PolarHBondContact NZ-OD1 3.35Å; K1062-S1138 WeakPolarHBondContact CD-OG 3.31Å; K1062-S1138 PolarHBondContact NZ-OG 3.13Å
1063	G	59.6	Low	67	Low	67 Å²	67	62.2 Å²	62.2	69%	0.691	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.2	23.6	176.9	0	0	0	0	0	114.6	R1059	R1059-G1063 PolarHBondContact O-N 2.79Å
1064	I	65.8	Low	66.9	Low	16 Å²	16	61.2 Å²	61.2	8%	0.082	34%	0.34	C	S	.	.			trans	-75.3	129.1	-178.1	-57.1	171.5	0	0	0	108.7	R1059 K1062 Q1068 L1069 I1134	R1059-I1064 WeakPolarHBondContact CG-O 3.45Å; R1059-I1064 PolarHBondContact O-N 3.48Å; K1062-I1064 VanDerWaalsContact C-N 3.29Å; K1062-I1064 HydrophobicContact CB-CD1 4.09Å; K1062-I1064 HydrophobicContact CB-CG1 4.02Å; K1062-I1064 PolarHBondContact O-N 2.9Å; I1064-Q1068 HydrophobicContact CG2-CB 3.9Å; I1064-L1069 HydrophobicContact CG2-CB 4.2Å; I1064-L1069 HydrophobicContact CG2-CD1 4.43Å; I1064-I1134 HydrophobicContact CD1-CG2 4.26Å
1065	S	66.3	Low	67.3	Low	50 Å²	50	58.8 Å²	58.8	35%	0.35	33%	0.329	S	S	.	.			trans	-70.1	152.4	179.1	81.4	0	0	0	0	111.5	E1067 Q1068 L1069	S1065-E1067 PolarHBondContact O-N 3.22Å; S1065-Q1068 PolarHBondContact O-N 3.19Å; S1065-Q1068 WeakPolarHBondContact OG-CG 3.2Å; S1065-Q1068 PolarHBondContact OG-N 3.42Å; S1065-Q1068 PolarHBondContact OG-OE1 2.97Å; S1065-L1069 PolarHBondContact O-N 3.47Å
1066	Q	62.9	Low	67.8	Low	50 Å²	50	57.8 Å²	57.8	23%	0.234	33%	0.325	C	S	.	.	H	α-helix	trans	-58	-32.5	177.8	-163.5	74.7	19.5	0	0	112	N1070	Q1066-N1070 WeakPolarHBondContact O-CB 3.34Å; Q1066-N1070 PolarHBondContact O-N 2.91Å; Q1066-N1070 VanDerWaalsContact O-N 3.12Å; Q1066-N1070 PolarHBondContact O-ND2 3.13Å
1067	E	67.9	Low	67.9	Low	163 Å²	163	59.4 Å²	59.4	76%	0.762	33%	0.334	S	S	*	.	H	α-helix	trans	-70.8	-43.9	177.5	-68.3	179	173.2	0	0	111.9	S1065 N1070 E1071	S1065-E1067 PolarHBondContact O-N 3.22Å; E1067-N1070 PolarHBondContact O-N 2.96Å; E1067-E1071 WeakPolarHBondContact O-CB 3.15Å; E1067-E1071 PolarHBondContact O-N 3.49Å
1068	Q	68.8	Low	68.4	Low	91 Å²	91	60.2 Å²	60.2	43%	0.425	33%	0.334	S	S	.	.	H	α-helix	trans	-64.5	-41	176.6	-77	175.5	-38.5	0	0	112.2	I1064 S1065 N1070 E1071 F1072	I1064-Q1068 HydrophobicContact CG2-CB 3.9Å; S1065-Q1068 PolarHBondContact O-N 3.19Å; S1065-Q1068 WeakPolarHBondContact OG-CG 3.2Å; S1065-Q1068 PolarHBondContact OG-N 3.42Å; S1065-Q1068 PolarHBondContact OG-OE1 2.97Å; Q1068-N1070 VanDerWaalsContact C-N 3.33Å; Q1068-N1070 PolarHBondContact O-N 3.49Å; Q1068-E1071 PolarHBondContact O-N 3.43Å; Q1068-F1072 HydrophobicContact CB-CE2 4.38Å; Q1068-F1072 VanDerWaalsContact O-CD2 3.27Å; Q1068-F1072 WeakPolarHBondContact O-CD2 3.43Å; Q1068-F1072 VanDerWaalsContact O-CG 3.3Å; Q1068-F1072 WeakPolarHBondContact O-CG 3.49Å; Q1068-F1072 PolarHBondContact O-N 3.31Å
1069	L	69.8	Low	69.2	Low	2 Å²	2	61 Å²	61	1%	0.01	34%	0.336	C	S	.	.	H	α-helix	trans	-65.9	-38.2	177.4	-165.2	118.3	0	0	0	111.6	L985 R1059 I1064 S1065 E1071 R1073 I1134	L985-L1069 HydrophobicContact CD1-CD2 3.81Å; L985-L1069 HydrophobicContact CG-CD2 4.43Å; R1059-L1069 HydrophobicContact CB-CD1 4.29Å; I1064-L1069 HydrophobicContact CG2-CB 4.2Å; I1064-L1069 HydrophobicContact CG2-CD1 4.43Å; S1065-L1069 PolarHBondContact O-N 3.47Å; L1069-E1071 VanDerWaalsContact C-N 3.35Å; L1069-R1073 VanDerWaalsContact O-CB 3.3Å; L1069-R1073 WeakPolarHBondContact O-CB 3.21Å; L1069-R1073 PolarHBondContact O-N 3.06Å; L1069-I1134 HydrophobicContact CD1-CD1 3.88Å; L1069-I1134 HydrophobicContact CG-CD1 4.25Å
1070	N	69.3	Low	69.6	Low	83 Å²	83	60.3 Å²	60.3	44%	0.444	33%	0.334	S	S	.	.	H	α-helix	trans	-65.9	-37.3	173.8	-76.8	-13.5	0	0	0	112.1	Q1066 E1067 Q1068 R1073 A1074	Q1066-N1070 WeakPolarHBondContact O-CB 3.34Å; Q1066-N1070 PolarHBondContact O-N 2.91Å; Q1066-N1070 VanDerWaalsContact O-N 3.12Å; Q1066-N1070 PolarHBondContact O-ND2 3.13Å; E1067-N1070 PolarHBondContact O-N 2.96Å; Q1068-N1070 VanDerWaalsContact C-N 3.33Å; Q1068-N1070 PolarHBondContact O-N 3.49Å; N1070-R1073 PolarHBondContact O-N 3.21Å; N1070-A1074 VanDerWaalsContact O-CB 3.26Å; N1070-A1074 WeakPolarHBondContact O-CB 3.28Å; N1070-A1074 PolarHBondContact O-N 2.93Å
1071	E	73.4	Confident	69.9	Low	121 Å²	121	65.4 Å²	65.4	57%	0.565	35%	0.345	S	S	*	.	H	α-helix	trans	-66.9	-47.5	176.5	-165.4	172.6	-162.1	0	0	111.5	E1067 Q1068 L1069 R1073 A1074 S1075	E1067-E1071 WeakPolarHBondContact O-CB 3.15Å; E1067-E1071 PolarHBondContact O-N 3.49Å; Q1068-E1071 PolarHBondContact O-N 3.43Å; L1069-E1071 VanDerWaalsContact C-N 3.35Å; E1071-R1073 VanDerWaalsContact C-N 3.31Å; E1071-R1073 PolarHBondContact O-N 2.7Å; E1071-A1074 PolarHBondContact O-N 2.78Å; E1071-S1075 PolarHBondContact O-N 3.36Å; E1071-S1075 PolarHBondContact O-OG 3.05Å
1072	F	74.6	Confident	70.4	Confident	24 Å²	24	67 Å²	67	11%	0.105	34%	0.343	C	S	.	.	H	α-helix	trans	-60	-40.5	174.2	-63.8	-32.3	0	0	0	112.3	Q1068 S1075 F1076 F1133 M1137	Q1068-F1072 HydrophobicContact CB-CE2 4.38Å; Q1068-F1072 VanDerWaalsContact O-CD2 3.27Å; Q1068-F1072 WeakPolarHBondContact O-CD2 3.43Å; Q1068-F1072 VanDerWaalsContact O-CG 3.3Å; Q1068-F1072 WeakPolarHBondContact O-CG 3.49Å; Q1068-F1072 PolarHBondContact O-N 3.31Å; F1072-S1075 PolarHBondContact O-N 2.89Å; F1072-F1076 WeakPolarHBondContact O-CB 3.45Å; F1072-F1076 PolarHBondContact O-N 2.86Å; F1072-F1133 HydrophobicContact CB-CE1 3.97Å; F1072-F1133 WeakPolarHBondContact O-CE1 3.47Å; F1072-M1137 HydrophobicContact CD1-CE 4.1Å; F1072-M1137 HydrophobicContact CE1-CB 4.37Å; F1072-M1137 HydrophobicContact CE1-CE 3.56Å; F1072-M1137 HydrophobicContact CE2-CB 4.34Å; F1072-M1137 HydrophobicContact CZ-CB 4.21Å; F1072-M1137 HydrophobicContact CZ-CE 4.22Å
1073	R	72.1	Confident	70.7	Confident	42 Å²	42	69.5 Å²	69.5	16%	0.158	36%	0.356	C	S	.	.	H	α-helix	trans	-68.6	-40.3	177.6	-156.4	172.7	-158.7	126.2	-2	112.4	L1069 N1070 E1071 S1075 F1076 N1077 F1130	L1069-R1073 VanDerWaalsContact O-CB 3.3Å; L1069-R1073 WeakPolarHBondContact O-CB 3.21Å; L1069-R1073 PolarHBondContact O-N 3.06Å; N1070-R1073 PolarHBondContact O-N 3.21Å; E1071-R1073 VanDerWaalsContact C-N 3.31Å; E1071-R1073 PolarHBondContact O-N 2.7Å; R1073-S1075 VanDerWaalsContact C-N 3.34Å; R1073-F1076 PolarHBondContact O-N 2.82Å; R1073-N1077 WeakPolarHBondContact O-CB 3.46Å; R1073-N1077 PolarHBondContact O-N 2.73Å; R1073-F1130 HydrophobicContact CB-CE1 4.35Å; R1073-F1130 HydrophobicContact CB-CE2 4.08Å; R1073-F1130 HydrophobicContact CB-CZ 3.53Å; R1073-F1130 HydrophobicContact CG-CE1 3.92Å; R1073-F1130 HydrophobicContact CG-CE2 4.07Å; R1073-F1130 HydrophobicContact CG-CZ 3.5Å; R1073-F1130 VanDerWaalsContact CG-CZ 3.5Å
1074	A	73.3	Confident	71.1	Confident	47 Å²	47	69 Å²	69	39%	0.388	34%	0.342	S	S	.	.	H	α-helix	trans	-63	-41.9	175.2	0	0	0	0	0	111.3	N1070 E1071 H1078	N1070-A1074 VanDerWaalsContact O-CB 3.26Å; N1070-A1074 WeakPolarHBondContact O-CB 3.28Å; N1070-A1074 PolarHBondContact O-N 2.93Å; E1071-A1074 PolarHBondContact O-N 2.78Å; A1074-H1078 WeakPolarHBondContact O-CB 3.2Å; A1074-H1078 PolarHBondContact O-N 2.69Å
1075	S	75	Confident	71.1	Confident	23 Å²	23	70 Å²	70	16%	0.161	36%	0.356	C	S	.	.	H	α-helix	trans	-67.4	-44	175.5	-65.2	0	0	0	0	112.4	E1071 F1072 R1073 H1078 F1079	E1071-S1075 PolarHBondContact O-N 3.36Å; E1071-S1075 PolarHBondContact O-OG 3.05Å; F1072-S1075 PolarHBondContact O-N 2.89Å; R1073-S1075 VanDerWaalsContact C-N 3.34Å; S1075-H1078 WeakPolarHBondContact O-CB 3.47Å; S1075-H1078 PolarHBondContact O-N 3.47Å; S1075-F1079 VanDerWaalsContact O-CD2 3.25Å; S1075-F1079 WeakPolarHBondContact O-CD2 3.43Å
1076	F	76.4	Confident	71.6	Confident	1 Å²	1	69.4 Å²	69.4	0%	0.004	35%	0.35	C	S	.	.	H	α-helix	trans	-62.5	-48	177.9	-171.1	-88.8	0	0	0	111.8	F1072 R1073 H1078 F1079 D1080 L1087 F1130 F1133	F1072-F1076 WeakPolarHBondContact O-CB 3.45Å; F1072-F1076 PolarHBondContact O-N 2.86Å; R1073-F1076 PolarHBondContact O-N 2.82Å; F1076-H1078 VanDerWaalsContact C-N 3.26Å; F1076-H1078 PolarHBondContact O-N 2.94Å; F1076-F1079 PolarHBondContact O-N 3.37Å; F1076-F1079 VanDerWaalsContact O-N 3.12Å; F1076-D1080 HydrophobicContact CD1-CB 4.44Å; F1076-D1080 HydrophobicContact CE1-CB 4.44Å; F1076-D1080 PolarHBondContact O-N 2.9Å; F1076-L1087 HydrophobicContact CD1-CG 4.43Å; F1076-L1087 HydrophobicContact CD2-CD1 3.29Å; F1076-L1087 HydrophobicContact CD2-CG 3.82Å; F1076-L1087 HydrophobicContact CE1-CG 4.11Å; F1076-L1087 HydrophobicContact CE2-CB 4.26Å; F1076-L1087 HydrophobicContact CE2-CD1 3.39Å; F1076-L1087 HydrophobicContact CE2-CG 3.48Å; F1076-L1087 VanDerWaalsContact CE2-CG 3.48Å; F1076-L1087 HydrophobicContact CG-CD1 3.94Å; F1076-L1087 HydrophobicContact CG-CG 4.3Å; F1076-L1087 HydrophobicContact CZ-CB 4.41Å; F1076-L1087 HydrophobicContact CZ-CD1 4.08Å; F1076-L1087 HydrophobicContact CZ-CG 3.64Å; F1076-F1130 HydrophobicContact CB-CD2 3.6Å; F1076-F1130 HydrophobicContact CB-CE2 3.64Å; F1076-F1130 HydrophobicContact CD1-CB 4.14Å; F1076-F1130 AromaticContact CD1-CD2 3.58Å; F1076-F1130 HydrophobicContact CD1-CD2 3.58Å; F1076-F1130 HydrophobicContact CD1-CE2 4.4Å; F1076-F1130 HydrophobicContact CD1-CG 4.21Å; F1076-F1130 AromaticContact CD2-CD2 3.65Å; F1076-F1130 HydrophobicContact CD2-CD2 3.65Å; F1076-F1130 HydrophobicContact CD2-CE2 4.41Å; F1076-F1130 HydrophobicContact CE1-CB 3.77Å; F1076-F1130 HydrophobicContact CE1-CD2 4.08Å; F1076-F1130 HydrophobicContact CE1-CG 4.35Å; F1076-F1130 HydrophobicContact CE2-CB 4.2Å; F1076-F1130 HydrophobicContact CE2-CD2 4.13Å; F1076-F1130 AromaticContact CG-CD2 3.34Å; F1076-F1130 HydrophobicContact CG-CD2 3.34Å; F1076-F1130 AromaticContact CG-CE2 3.95Å; F1076-F1130 HydrophobicContact CG-CE2 3.95Å; F1076-F1130 HydrophobicContact CG-CG 4.35Å; F1076-F1130 VanDerWaalsContact CZ-CA 3.47Å; F1076-F1130 HydrophobicContact CZ-CB 3.79Å; F1076-F1130 HydrophobicContact CZ-CD2 4.32Å; F1076-F1130 VanDerWaalsContact CZ-N 3.31Å; F1076-F1133 HydrophobicContact CB-CD1 4.08Å; F1076-F1133 HydrophobicContact CB-CE1 3.91Å; F1076-F1133 HydrophobicContact CD2-CB 3.85Å; F1076-F1133 AromaticContact CD2-CD1 3.43Å; F1076-F1133 HydrophobicContact CD2-CD1 3.43Å; F1076-F1133 VanDerWaalsContact CD2-CD1 3.43Å; F1076-F1133 HydrophobicContact CD2-CD2 4.44Å; F1076-F1133 HydrophobicContact CD2-CE1 4.04Å; F1076-F1133 AromaticContact CD2-CG 3.65Å; F1076-F1133 HydrophobicContact CD2-CG 3.65Å; F1076-F1133 HydrophobicContact CE2-CB 3.78Å; F1076-F1133 HydrophobicContact CE2-CD1 4.23Å; F1076-F1133 HydrophobicContact CE2-CG 4.11Å; F1076-F1133 HydrophobicContact CG-CD1 4.14Å; F1076-F1133 HydrophobicContact CG-CE1 4.46Å
1077	N	71.7	Confident	72.4	Confident	59 Å²	59	67 Å²	67	32%	0.316	34%	0.339	S	S	.	.	H	α-helix	trans	-67	-24.8	179	-71.7	1.1	0	0	0	113.2	R1073 F1079	R1073-N1077 WeakPolarHBondContact O-CB 3.46Å; R1073-N1077 PolarHBondContact O-N 2.73Å; N1077-F1079 VanDerWaalsContact C-N 3.25Å; N1077-F1079 PolarHBondContact O-N 2.88Å
1078	H	78	Confident	72.9	Confident	131 Å²	131	60.2 Å²	60.2	61%	0.606	31%	0.312	S	S	*	.	H	α-helix	trans	-64.5	-33.4	174.1	-174.8	71.7	0	0	0	112.3	A1074 S1075 F1076	A1074-H1078 WeakPolarHBondContact O-CB 3.2Å; A1074-H1078 PolarHBondContact O-N 2.69Å; S1075-H1078 WeakPolarHBondContact O-CB 3.47Å; S1075-H1078 PolarHBondContact O-N 3.47Å; F1076-H1078 VanDerWaalsContact C-N 3.26Å; F1076-H1078 PolarHBondContact O-N 2.94Å
1079	F	77.3	Confident	73.3	Confident	39 Å²	39	57.6 Å²	57.6	17%	0.171	31%	0.306	C	S	.	.	H	α-helix	trans	-96.4	-19	-179.4	-68.7	-79.1	0	0	0	113.2	S1075 F1076 N1077 R1081 L1087 A1094 C1095	S1075-F1079 VanDerWaalsContact O-CD2 3.25Å; S1075-F1079 WeakPolarHBondContact O-CD2 3.43Å; F1076-F1079 PolarHBondContact O-N 3.37Å; F1076-F1079 VanDerWaalsContact O-N 3.12Å; N1077-F1079 VanDerWaalsContact C-N 3.25Å; N1077-F1079 PolarHBondContact O-N 2.88Å; F1079-R1081 VanDerWaalsContact C-N 3.32Å; F1079-R1081 PolarHBondContact O-N 2.89Å; F1079-L1087 HydrophobicContact CB-CD2 3.83Å; F1079-A1094 HydrophobicContact CD1-CB 3.81Å; F1079-A1094 HydrophobicContact CE1-CB 3.65Å; F1079-A1094 HydrophobicContact CZ-CB 4.48Å; F1079-C1095 HydrophobicContact CB-CB 4.26Å; F1079-C1095 HydrophobicContact CD2-CB 3.64Å; F1079-C1095 HydrophobicContact CE2-CB 4.22Å; F1079-C1095 HydrophobicContact CG-CB 4Å
1080	D	75.6	Confident	73.6	Confident	8 Å²	8	64.2 Å²	64.2	4%	0.043	34%	0.337	C	S	.	.			trans	-78.7	73.9	172.4	-175.2	2.4	0	0	0	110.9	F1076 D1082 H1083 S1084 G1085 L1087	F1076-D1080 HydrophobicContact CD1-CB 4.44Å; F1076-D1080 HydrophobicContact CE1-CB 4.44Å; F1076-D1080 PolarHBondContact O-N 2.9Å; D1080-D1082 VanDerWaalsContact C-N 3.3Å; D1080-D1082 PolarHBondContact O-N 3.04Å; D1080-H1083 PolarHBondContact O-N 3.34Å; D1080-H1083 VanDerWaalsContact OD1-CA 3.3Å; D1080-H1083 WeakPolarHBondContact OD1-CA 3.36Å; D1080-H1083 PolarHBondContact OD1-N 3.48Å; D1080-S1084 PolarHBondContact OD1-N 2.7Å; D1080-S1084 PolarHBondContact OD1-OG 3.37Å; D1080-G1085 VanDerWaalsContact OD2-CA 3.28Å; D1080-G1085 WeakPolarHBondContact OD2-CA 3.32Å; D1080-G1085 PolarHBondContact OD2-N 2.95Å; D1080-L1087 HydrophobicContact CB-CD2 3.82Å; D1080-L1087 VanDerWaalsContact N-CD2 3.3Å
1081	R	71	Confident	74	Confident	210 Å²	210	63.4 Å²	63.4	79%	0.792	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-28.2	-174.4	-72.2	-176.1	171.9	177.6	0.6	113.3	F1079 H1083	F1079-R1081 VanDerWaalsContact C-N 3.32Å; F1079-R1081 PolarHBondContact O-N 2.89Å; R1081-H1083 PolarHBondContact O-ND1 2.81Å
1082	D	69.4	Low	74.3	Confident	110 Å²	110	57.6 Å²	57.6	59%	0.588	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-3.8	179.8	69.9	-8	0	0	0	113.3	D1080 S1084	D1080-D1082 VanDerWaalsContact C-N 3.3Å; D1080-D1082 PolarHBondContact O-N 3.04Å; D1082-S1084 PolarHBondContact O-N 3Å; D1082-S1084 WeakPolarHBondContact OD1-CB 3.09Å; D1082-S1084 PolarHBondContact OD1-N 2.91Å; D1082-S1084 VanDerWaalsContact OD1-N 3.16Å; D1082-S1084 PolarHBondContact OD1-OG 3.46Å
1083	H	65.8	Low	74.5	Confident	123 Å²	123	57.4 Å²	57.4	57%	0.569	30%	0.303	S	S	*	.			trans	56.2	32.5	-179	-56.2	57.7	0	0	0	111.4	D1080 R1081 G1085	D1080-H1083 PolarHBondContact O-N 3.34Å; D1080-H1083 VanDerWaalsContact OD1-CA 3.3Å; D1080-H1083 WeakPolarHBondContact OD1-CA 3.36Å; D1080-H1083 PolarHBondContact OD1-N 3.48Å; R1081-H1083 PolarHBondContact O-ND1 2.81Å; H1083-G1085 PolarHBondContact O-N 3.48Å
1084	S	68.7	Low	74.7	Confident	57 Å²	57	57.2 Å²	57.2	40%	0.399	31%	0.31	S	S	.	.			trans	-75.1	-13.2	-179.6	61.6	0	0	0	0	112.3	D1080 D1082 T1086	D1080-S1084 PolarHBondContact OD1-N 2.7Å; D1080-S1084 PolarHBondContact OD1-OG 3.37Å; D1082-S1084 PolarHBondContact O-N 3Å; D1082-S1084 WeakPolarHBondContact OD1-CB 3.09Å; D1082-S1084 PolarHBondContact OD1-N 2.91Å; D1082-S1084 VanDerWaalsContact OD1-N 3.16Å; D1082-S1084 PolarHBondContact OD1-OG 3.46Å; S1084-T1086 PolarHBondContact OG-N 3.25Å; S1084-T1086 PolarHBondContact OG-O 2.91Å; S1084-T1086 PolarHBondContact OG-OG1 3.49Å
1085	G	66.8	Low	75	Confident	37 Å²	37	55 Å²	55	38%	0.381	29%	0.291	S	S	.	.	S	Bend	trans	76.9	11	-171.8	0	0	0	0	0	112.7	D1080 H1083	D1080-G1085 VanDerWaalsContact OD2-CA 3.28Å; D1080-G1085 WeakPolarHBondContact OD2-CA 3.32Å; D1080-G1085 PolarHBondContact OD2-N 2.95Å; H1083-G1085 PolarHBondContact O-N 3.48Å
1086	T	76	Confident	75	Confident	36 Å²	36	53.9 Å²	53.9	22%	0.221	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	141.2	-178.8	60.4	0	0	0	0	111.1	S1084 V1128 T1129	S1084-T1086 PolarHBondContact OG-N 3.25Å; S1084-T1086 PolarHBondContact OG-O 2.91Å; S1084-T1086 PolarHBondContact OG-OG1 3.49Å; T1086-V1128 CarbonylContact C-O 3.44Å; T1086-V1128 VanDerWaalsContact CA-O 3.29Å; T1086-V1128 WeakPolarHBondContact CA-O 3.41Å; T1086-T1129 HydrophobicContact CG2-CG2 4.05Å
1087	L	80.1	Confident	75	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	129.9	173.6	-66.5	177.2	0	0	0	110.3	F1076 F1079 D1080 E1091 F1092 C1095 T1127 V1128	F1076-L1087 HydrophobicContact CD1-CG 4.43Å; F1076-L1087 HydrophobicContact CD2-CD1 3.29Å; F1076-L1087 HydrophobicContact CD2-CG 3.82Å; F1076-L1087 HydrophobicContact CE1-CG 4.11Å; F1076-L1087 HydrophobicContact CE2-CB 4.26Å; F1076-L1087 HydrophobicContact CE2-CD1 3.39Å; F1076-L1087 HydrophobicContact CE2-CG 3.48Å; F1076-L1087 VanDerWaalsContact CE2-CG 3.48Å; F1076-L1087 HydrophobicContact CG-CD1 3.94Å; F1076-L1087 HydrophobicContact CG-CG 4.3Å; F1076-L1087 HydrophobicContact CZ-CB 4.41Å; F1076-L1087 HydrophobicContact CZ-CD1 4.08Å; F1076-L1087 HydrophobicContact CZ-CG 3.64Å; F1079-L1087 HydrophobicContact CB-CD2 3.83Å; D1080-L1087 HydrophobicContact CB-CD2 3.82Å; D1080-L1087 VanDerWaalsContact N-CD2 3.3Å; L1087-E1091 HydrophobicContact CB-CB 4.3Å; L1087-E1091 HydrophobicContact CD2-CB 4.05Å; L1087-F1092 HydrophobicContact CB-CB 4.07Å; L1087-F1092 HydrophobicContact CD1-CD2 4.36Å; L1087-C1095 HydrophobicContact CD1-CB 4.06Å; L1087-T1127 CarbonylContact O-C 3.49Å; L1087-T1127 WeakPolarHBondContact O-CA 3.42Å; L1087-V1128 PolarHBondContact N-O 3.1Å; L1087-V1128 PolarHBondContact O-N 3.01Å
1088	G	78.6	Confident	75	Confident	20 Å²	20	58.4 Å²	58.4	21%	0.206	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	165	166.9	0	0	0	0	0	111.6	E1090 E1091 F1092	G1088-E1090 VanDerWaalsContact C-N 3.33Å; G1088-E1090 PolarHBondContact O-N 3.25Å; G1088-E1091 PolarHBondContact N-OE2 2.86Å; G1088-E1091 PolarHBondContact O-N 3.27Å; G1088-E1091 VanDerWaalsContact O-N 3.11Å; G1088-F1092 WeakPolarHBondContact O-CB 3.32Å; G1088-F1092 PolarHBondContact O-N 2.79Å
1089	A	76.7	Confident	74.7	Confident	36 Å²	36	54.4 Å²	54.4	30%	0.298	30%	0.296	S	S	.	.	H	α-helix	trans	-54.2	-43.6	-177.9	0	0	0	0	0	113.9	K1093 F1113 M1117	A1089-K1093 WeakPolarHBondContact O-CB 3.32Å; A1089-K1093 PolarHBondContact O-N 2.91Å; A1089-F1113 HydrophobicContact CB-CE1 4.3Å; A1089-F1113 WeakPolarHBondContact O-CZ 3.25Å; A1089-M1117 HydrophobicContact CB-CE 3.69Å
1090	E	75.8	Confident	74.1	Confident	142 Å²	142	55.7 Å²	55.7	66%	0.664	32%	0.32	S	S	*	.	H	α-helix	trans	-70.4	-35.2	178.5	-70.1	-61.6	140.7	0	0	113	G1088 K1093 A1094	G1088-E1090 VanDerWaalsContact C-N 3.33Å; G1088-E1090 PolarHBondContact O-N 3.25Å; E1090-K1093 PolarHBondContact O-N 2.95Å; E1090-A1094 WeakPolarHBondContact O-CB 3.43Å; E1090-A1094 PolarHBondContact O-N 2.89Å
1091	E	78.8	Confident	73.8	Confident	65 Å²	65	57.8 Å²	57.8	30%	0.304	33%	0.329	S	S	.	.	H	α-helix	trans	-72.3	-37.9	178.3	-64.2	170.3	150	0	0	111.2	L1087 G1088 A1094 C1095	L1087-E1091 HydrophobicContact CB-CB 4.3Å; L1087-E1091 HydrophobicContact CD2-CB 4.05Å; G1088-E1091 PolarHBondContact N-OE2 2.86Å; G1088-E1091 PolarHBondContact O-N 3.27Å; G1088-E1091 VanDerWaalsContact O-N 3.11Å; E1091-A1094 PolarHBondContact O-N 2.93Å; E1091-C1095 WeakPolarHBondContact O-CB 3.34Å; E1091-C1095 PolarHBondContact O-N 2.93Å
1092	F	79.9	Confident	73.2	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-65.6	-42.5	172.9	-178.5	-111.7	0	0	0	111.7	L1087 G1088 A1094 C1095 L1096 F1113 I1116 M1117 V1120 V1128 F1133 F1136	L1087-F1092 HydrophobicContact CB-CB 4.07Å; L1087-F1092 HydrophobicContact CD1-CD2 4.36Å; G1088-F1092 WeakPolarHBondContact O-CB 3.32Å; G1088-F1092 PolarHBondContact O-N 2.79Å; F1092-A1094 VanDerWaalsContact C-N 3.33Å; F1092-A1094 PolarHBondContact O-N 2.82Å; F1092-C1095 WeakPolarHBondContact O-CB 3.32Å; F1092-C1095 PolarHBondContact O-N 2.93Å; F1092-L1096 HydrophobicContact CD1-CD1 4.03Å; F1092-L1096 HydrophobicContact CE1-CD1 3.55Å; F1092-L1096 HydrophobicContact CE1-CG 4.26Å; F1092-L1096 HydrophobicContact CE2-CG 4.45Å; F1092-L1096 HydrophobicContact CZ-CD1 3.84Å; F1092-L1096 HydrophobicContact CZ-CD2 4.29Å; F1092-L1096 HydrophobicContact CZ-CG 4.18Å; F1092-L1096 WeakPolarHBondContact O-CG 3.09Å; F1092-L1096 PolarHBondContact O-N 2.74Å; F1092-F1113 AromaticContact CD1-CE2 3.64Å; F1092-F1113 HydrophobicContact CD1-CE2 3.64Å; F1092-F1113 AromaticContact CD1-CZ 3.9Å; F1092-F1113 HydrophobicContact CD1-CZ 3.9Å; F1092-F1113 HydrophobicContact CE1-CE2 4.14Å; F1092-I1116 HydrophobicContact CE1-CG2 3.9Å; F1092-I1116 HydrophobicContact CZ-CG2 4.27Å; F1092-M1117 HydrophobicContact CB-CE 4.48Å; F1092-M1117 HydrophobicContact CD1-CE 3.67Å; F1092-M1117 HydrophobicContact CE1-CE 4.37Å; F1092-M1117 HydrophobicContact CG-CE 4.43Å; F1092-V1120 HydrophobicContact CE2-CG1 4.4Å; F1092-V1120 HydrophobicContact CZ-CB 4.44Å; F1092-V1120 HydrophobicContact CZ-CG1 4.12Å; F1092-V1120 HydrophobicContact CZ-CG2 4.13Å; F1092-V1128 HydrophobicContact CB-CG2 4.31Å; F1092-V1128 HydrophobicContact CD1-CG2 4.03Å; F1092-V1128 HydrophobicContact CD2-CB 3.99Å; F1092-V1128 HydrophobicContact CD2-CG1 3.7Å; F1092-V1128 HydrophobicContact CD2-CG2 4.02Å; F1092-V1128 HydrophobicContact CE1-CG2 4.35Å; F1092-V1128 HydrophobicContact CE2-CB 4.36Å; F1092-V1128 HydrophobicContact CE2-CG1 3.67Å; F1092-V1128 HydrophobicContact CE2-CG2 4.3Å; F1092-V1128 HydrophobicContact CG-CB 4.24Å; F1092-V1128 HydrophobicContact CG-CG1 4.41Å; F1092-V1128 HydrophobicContact CG-CG2 3.87Å; F1092-V1128 HydrophobicContact CZ-CG1 4.4Å; F1092-V1128 HydrophobicContact CZ-CG2 4.5Å; F1092-F1133 HydrophobicContact CD2-CD2 4.39Å; F1092-F1133 HydrophobicContact CE2-CB 4.38Å; F1092-F1133 AromaticContact CE2-CD2 3.77Å; F1092-F1133 HydrophobicContact CE2-CD2 3.77Å; F1092-F1136 HydrophobicContact CZ-CD1 4.46Å
1093	K	77.8	Confident	73.1	Confident	19 Å²	19	51.2 Å²	51.2	8%	0.083	31%	0.309	C	S	.	.	H	α-helix	trans	-58.8	-45	173.2	-167.2	175.9	178.2	-178	0	111.3	A1089 E1090 L1096 I1097 I1103 F1113	A1089-K1093 WeakPolarHBondContact O-CB 3.32Å; A1089-K1093 PolarHBondContact O-N 2.91Å; E1090-K1093 PolarHBondContact O-N 2.95Å; K1093-L1096 PolarHBondContact O-N 3.28Å; K1093-I1097 HydrophobicContact CG-CD1 4.26Å; K1093-I1097 VanDerWaalsContact O-CG1 3.31Å; K1093-I1097 WeakPolarHBondContact O-CG1 3.29Å; K1093-I1097 PolarHBondContact O-N 3.44Å; K1093-I1097 VanDerWaalsContact O-N 3.13Å; K1093-I1103 HydrophobicContact CG-CD1 4.28Å; K1093-F1113 HydrophobicContact CB-CD2 4.12Å; K1093-F1113 HydrophobicContact CB-CE1 4.18Å; K1093-F1113 HydrophobicContact CB-CE2 3.54Å; K1093-F1113 HydrophobicContact CB-CZ 3.6Å; K1093-F1113 HydrophobicContact CD-CD1 4.24Å; K1093-F1113 HydrophobicContact CD-CD2 4.44Å; K1093-F1113 HydrophobicContact CD-CE1 4.38Å; K1093-F1113 HydrophobicContact CD-CG 4.28Å; K1093-F1113 HydrophobicContact CG-CD2 3.96Å; K1093-F1113 HydrophobicContact CG-CE2 3.91Å; K1093-F1113 HydrophobicContact CG-CG 4.3Å; K1093-F1113 HydrophobicContact CG-CZ 4.24Å
1094	A	77.4	Confident	72.8	Confident	38 Å²	38	47.6 Å²	47.6	31%	0.314	30%	0.3	S	S	.	.	H	α-helix	trans	-65.5	-37.5	176.7	0	0	0	0	0	112.7	F1079 E1090 E1091 F1092 I1097 S1098	F1079-A1094 HydrophobicContact CD1-CB 3.81Å; F1079-A1094 HydrophobicContact CE1-CB 3.65Å; F1079-A1094 HydrophobicContact CZ-CB 4.48Å; E1090-A1094 WeakPolarHBondContact O-CB 3.43Å; E1090-A1094 PolarHBondContact O-N 2.89Å; E1091-A1094 PolarHBondContact O-N 2.93Å; F1092-A1094 VanDerWaalsContact C-N 3.33Å; F1092-A1094 PolarHBondContact O-N 2.82Å; A1094-I1097 PolarHBondContact O-N 2.8Å; A1094-S1098 WeakPolarHBondContact O-CB 3.2Å; A1094-S1098 PolarHBondContact O-N 2.96Å
1095	C	78.6	Confident	72.3	Confident	0 Å²	0	52 Å²	52	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-62.9	-45.3	175.3	-170.4	0	0	0	0	112	F1079 L1087 E1091 F1092 S1098 L1099	F1079-C1095 HydrophobicContact CB-CB 4.26Å; F1079-C1095 HydrophobicContact CD2-CB 3.64Å; F1079-C1095 HydrophobicContact CE2-CB 4.22Å; F1079-C1095 HydrophobicContact CG-CB 4Å; L1087-C1095 HydrophobicContact CD1-CB 4.06Å; E1091-C1095 WeakPolarHBondContact O-CB 3.34Å; E1091-C1095 PolarHBondContact O-N 2.93Å; F1092-C1095 WeakPolarHBondContact O-CB 3.32Å; F1092-C1095 PolarHBondContact O-N 2.93Å; C1095-S1098 WeakPolarHBondContact O-CB 3.27Å; C1095-S1098 PolarHBondContact O-N 3.44Å; C1095-L1099 WeakPolarHBondContact O-CD1 3.43Å; C1095-L1099 WeakPolarHBondContact O-CG 3.49Å; C1095-L1099 PolarHBondContact O-N 2.85Å
1096	L	74.4	Confident	72.2	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-61.1	-46.1	176.4	-71.8	176.9	0	0	0	112.2	F1092 K1093 S1098 L1099 G1100 F1101 I1103 F1113 I1116 F1136 M1137	F1092-L1096 HydrophobicContact CD1-CD1 4.03Å; F1092-L1096 HydrophobicContact CE1-CD1 3.55Å; F1092-L1096 HydrophobicContact CE1-CG 4.26Å; F1092-L1096 HydrophobicContact CE2-CG 4.45Å; F1092-L1096 HydrophobicContact CZ-CD1 3.84Å; F1092-L1096 HydrophobicContact CZ-CD2 4.29Å; F1092-L1096 HydrophobicContact CZ-CG 4.18Å; F1092-L1096 WeakPolarHBondContact O-CG 3.09Å; F1092-L1096 PolarHBondContact O-N 2.74Å; K1093-L1096 PolarHBondContact O-N 3.28Å; L1096-S1098 VanDerWaalsContact C-N 3.28Å; L1096-S1098 PolarHBondContact O-N 2.82Å; L1096-L1099 PolarHBondContact O-N 2.79Å; L1096-L1099 VanDerWaalsContact O-N 3.12Å; L1096-G1100 PolarHBondContact O-N 2.77Å; L1096-F1101 HydrophobicContact CB-CB 4.11Å; L1096-F1101 HydrophobicContact CD2-CD2 4.27Å; L1096-F1101 WeakPolarHBondContact O-CB 3.39Å; L1096-F1101 PolarHBondContact O-N 2.95Å; L1096-I1103 HydrophobicContact CB-CD1 4.16Å; L1096-I1103 HydrophobicContact CD1-CD1 4Å; L1096-F1113 HydrophobicContact CD1-CD2 4.39Å; L1096-F1113 HydrophobicContact CD1-CE2 4.19Å; L1096-I1116 HydrophobicContact CD1-CG2 4.3Å; L1096-F1136 HydrophobicContact CD2-CD1 4.03Å; L1096-F1136 HydrophobicContact CD2-CE1 3.5Å; L1096-F1136 HydrophobicContact CD2-CZ 4.47Å; L1096-M1137 HydrophobicContact CD2-SD 4.31Å
1097	I	76.6	Confident	71.5	Confident	82 Å²	82	55.5 Å²	55.5	42%	0.421	34%	0.338	S	S	.	.	H	α-helix	trans	-60.7	-40.4	176.7	-66.2	165.7	0	0	0	110.8	K1093 A1094 L1099 G1100	K1093-I1097 HydrophobicContact CG-CD1 4.26Å; K1093-I1097 VanDerWaalsContact O-CG1 3.31Å; K1093-I1097 WeakPolarHBondContact O-CG1 3.29Å; K1093-I1097 PolarHBondContact O-N 3.44Å; K1093-I1097 VanDerWaalsContact O-N 3.13Å; A1094-I1097 PolarHBondContact O-N 2.8Å; I1097-L1099 VanDerWaalsContact C-N 3.28Å; I1097-L1099 PolarHBondContact O-N 3.24Å; I1097-G1100 PolarHBondContact O-N 2.84Å; I1097-G1100 VanDerWaalsContact O-N 3.14Å
1098	S	72.8	Confident	70.5	Confident	74 Å²	74	62.8 Å²	62.8	52%	0.517	37%	0.372	S	S	.	.	H	α-helix	trans	-67.3	-25.7	177.5	-173.4	0	0	0	0	113.9	A1094 C1095 L1096 G1100	A1094-S1098 WeakPolarHBondContact O-CB 3.2Å; A1094-S1098 PolarHBondContact O-N 2.96Å; C1095-S1098 WeakPolarHBondContact O-CB 3.27Å; C1095-S1098 PolarHBondContact O-N 3.44Å; L1096-S1098 VanDerWaalsContact C-N 3.28Å; L1096-S1098 PolarHBondContact O-N 2.82Å; S1098-G1100 VanDerWaalsContact C-N 3.29Å
1099	L	70.4	Confident	69.8	Low	47 Å²	47	62 Å²	62	25%	0.246	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	0.7	175.8	-71.7	160	0	0	0	112.6	C1095 L1096 I1097 F1133 M1137	C1095-L1099 WeakPolarHBondContact O-CD1 3.43Å; C1095-L1099 WeakPolarHBondContact O-CG 3.49Å; C1095-L1099 PolarHBondContact O-N 2.85Å; L1096-L1099 PolarHBondContact O-N 2.79Å; L1096-L1099 VanDerWaalsContact O-N 3.12Å; I1097-L1099 VanDerWaalsContact C-N 3.28Å; I1097-L1099 PolarHBondContact O-N 3.24Å; L1099-F1133 HydrophobicContact CD1-CE2 3.72Å; L1099-F1133 HydrophobicContact CD1-CZ 3.5Å; L1099-M1137 HydrophobicContact CB-CE 4.42Å; L1099-M1137 HydrophobicContact CD1-CE 4.06Å; L1099-M1137 HydrophobicContact CD1-SD 4.29Å
1100	G	65.9	Low	69.5	Low	65 Å²	65	65.6 Å²	65.6	67%	0.67	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.8	10.8	176.5	0	0	0	0	0	115.2	L1096 I1097 S1098 D1102	L1096-G1100 PolarHBondContact O-N 2.77Å; I1097-G1100 PolarHBondContact O-N 2.84Å; I1097-G1100 VanDerWaalsContact O-N 3.14Å; S1098-G1100 VanDerWaalsContact C-N 3.29Å; G1100-D1102 PolarHBondContact O-N 3.41Å
1101	F	68.6	Low	69.3	Low	53 Å²	53	64.4 Å²	64.4	23%	0.232	37%	0.373	C	S	.	.			trans	-78.2	112.1	170.9	-83.5	-92.3	0	0	0	110.4	L1096 I1103 F1136 M1137 E1140	L1096-F1101 HydrophobicContact CB-CB 4.11Å; L1096-F1101 HydrophobicContact CD2-CD2 4.27Å; L1096-F1101 WeakPolarHBondContact O-CB 3.39Å; L1096-F1101 PolarHBondContact O-N 2.95Å; F1101-I1103 PolarHBondContact O-N 3.19Å; F1101-F1136 HydrophobicContact CZ-CE1 4.45Å; F1101-M1137 HydrophobicContact CE2-CE 4.02Å; F1101-M1137 HydrophobicContact CE2-SD 3.93Å; F1101-E1140 HydrophobicContact CE1-CG 4.14Å; F1101-E1140 WeakPolarHBondContact CE1-OE2 3.42Å; F1101-E1140 HydrophobicContact CZ-CB 4.18Å; F1101-E1140 HydrophobicContact CZ-CG 3.84Å; F1101-E1140 VanDerWaalsContact CZ-OE2 3.3Å; F1101-E1140 WeakPolarHBondContact CZ-OE2 3.49Å
1102	D	59.1	Low	68.9	Low	164 Å²	164	66.1 Å²	66.1	88%	0.877	38%	0.381	S	S	*	.			trans	-81.9	79.2	-173.3	-133.8	-0.7	0	0	0	110.8	G1100 A1104	G1100-D1102 PolarHBondContact O-N 3.41Å; D1102-A1104 PolarHBondContact O-N 2.92Å
1103	I	66.1	Low	68.9	Low	17 Å²	17	66.9 Å²	66.9	9%	0.087	38%	0.384	C	S	.	.			trans	-82.5	103.1	173.4	-56.1	174.5	0	0	0	108	K1093 L1096 F1101 G1109 F1113	K1093-I1103 HydrophobicContact CG-CD1 4.28Å; L1096-I1103 HydrophobicContact CB-CD1 4.16Å; L1096-I1103 HydrophobicContact CD1-CD1 4Å; F1101-I1103 PolarHBondContact O-N 3.19Å; I1103-G1109 WeakPolarHBondContact CG2-O 3.29Å; I1103-F1113 HydrophobicContact CD1-CD2 3.75Å; I1103-F1113 HydrophobicContact CG2-CB 4.3Å
1104	A	59.5	Low	68.6	Low	47 Å²	47	69.5 Å²	69.5	39%	0.388	41%	0.405	S	S	.	.			trans	-59.6	141.4	176.8	0	0	0	0	0	111.5	D1102 D1106 G1109	D1102-A1104 PolarHBondContact O-N 2.92Å; A1104-D1106 WeakPolarHBondContact CB-OD1 3.38Å; A1104-D1106 PolarHBondContact O-N 2.83Å; A1104-G1109 WeakPolarHBondContact O-CA 3.35Å
1105	N	58.8	Low	68.5	Low	151 Å²	151	74.5 Å²	74.5	81%	0.807	42%	0.416	S	S	*	.	S	Bend	trans	-78.1	34.1	177.1	-83.1	-24	0	0	0	113
1106	D	64.1	Low	68.3	Low	74 Å²	74	75.1 Å²	75.1	40%	0.396	42%	0.419	S	S	.	.	S	Bend	trans	-114.5	172	178.1	63.6	11.6	0	0	0	111.6	A1104 Q1108 G1109 E1110	A1104-D1106 WeakPolarHBondContact CB-OD1 3.38Å; A1104-D1106 PolarHBondContact O-N 2.83Å; D1106-Q1108 PolarHBondContact O-N 3.32Å; D1106-Q1108 PolarHBondContact OD1-N 2.91Å; D1106-G1109 PolarHBondContact O-N 2.75Å; D1106-G1109 VanDerWaalsContact O-N 3.09Å; D1106-G1109 PolarHBondContact OD1-N 2.83Å; D1106-E1110 PolarHBondContact O-N 3.14Å; D1106-E1110 VanDerWaalsContact O-N 3.08Å
1107	A	61.1	Low	68.4	Low	71 Å²	71	76.4 Å²	76.4	59%	0.587	43%	0.425	S	S	*	.	H	α-helix	trans	-62.5	-14.3	-178.7	0	0	0	0	0	113.6	N1111	A1107-N1111 PolarHBondContact O-ND2 3.21Å
1108	Q	59.2	Low	68.2	Low	153 Å²	153	75.9 Å²	75.9	72%	0.715	43%	0.429	S	S	*	.	H	α-helix	trans	-82.1	-44.7	172.4	-82.2	-175.3	-56.1	0	0	111.2	D1106 E1110 N1111 E1112	D1106-Q1108 PolarHBondContact O-N 3.32Å; D1106-Q1108 PolarHBondContact OD1-N 2.91Å; Q1108-E1110 VanDerWaalsContact C-N 3.34Å; Q1108-E1110 PolarHBondContact O-N 2.74Å; Q1108-N1111 PolarHBondContact O-N 3.21Å; Q1108-E1112 PolarHBondContact O-N 2.9Å
1109	G	64.3	Low	68.1	Low	4 Å²	4	75.4 Å²	75.4	4%	0.041	42%	0.422	C	S	.	.	H	α-helix	trans	-66.1	-31.1	175.6	0	0	0	0	0	113.9	I1103 A1104 D1106 E1112 F1113	I1103-G1109 WeakPolarHBondContact CG2-O 3.29Å; A1104-G1109 WeakPolarHBondContact O-CA 3.35Å; D1106-G1109 PolarHBondContact O-N 2.75Å; D1106-G1109 VanDerWaalsContact O-N 3.09Å; D1106-G1109 PolarHBondContact OD1-N 2.83Å; G1109-E1112 PolarHBondContact O-N 3.26Å; G1109-F1113 VanDerWaalsContact O-CB 3.32Å; G1109-F1113 WeakPolarHBondContact O-CB 3.26Å; G1109-F1113 PolarHBondContact O-N 2.96Å
1110	E	71.1	Confident	68	Low	111 Å²	111	73.7 Å²	73.7	52%	0.519	41%	0.414	S	S	.	.	H	α-helix	trans	-70.1	-34.3	171.9	-88.8	171.2	163.6	0	0	113.4	D1106 Q1108 S1114	D1106-E1110 PolarHBondContact O-N 3.14Å; D1106-E1110 VanDerWaalsContact O-N 3.08Å; Q1108-E1110 VanDerWaalsContact C-N 3.34Å; Q1108-E1110 PolarHBondContact O-N 2.74Å; E1110-S1114 VanDerWaalsContact O-CB 3.29Å; E1110-S1114 WeakPolarHBondContact O-CB 3.49Å; E1110-S1114 PolarHBondContact O-N 3.48Å; E1110-S1114 PolarHBondContact O-OG 3.29Å
1111	N	70.8	Confident	68.4	Low	118 Å²	118	71.2 Å²	71.2	63%	0.631	39%	0.385	S	S	*	.	H	α-helix	trans	-69.7	-38.7	172.4	-84	-40.5	0	0	0	111.5	A1107 Q1108 S1114 R1115	A1107-N1111 PolarHBondContact O-ND2 3.21Å; Q1108-N1111 PolarHBondContact O-N 3.21Å; N1111-S1114 PolarHBondContact O-N 2.8Å; N1111-R1115 WeakPolarHBondContact O-CB 3.41Å; N1111-R1115 PolarHBondContact O-N 3.1Å
1112	E	69.6	Low	68.1	Low	101 Å²	101	72.6 Å²	72.6	47%	0.472	40%	0.4	S	S	.	.	H	α-helix	trans	-67.3	-43.1	176.2	-174.5	146.5	-148.2	0	0	111.8	Q1108 G1109 S1114 R1115 I1116	Q1108-E1112 PolarHBondContact O-N 2.9Å; G1109-E1112 PolarHBondContact O-N 3.26Å; E1112-S1114 PolarHBondContact O-N 3.36Å; E1112-R1115 WeakPolarHBondContact O-CB 3.39Å; E1112-R1115 PolarHBondContact O-N 3.3Å; E1112-I1116 HydrophobicContact CG-CD1 4.25Å; E1112-I1116 VanDerWaalsContact O-CG1 3.3Å; E1112-I1116 WeakPolarHBondContact O-CG1 3.17Å; E1112-I1116 PolarHBondContact O-N 3.15Å
1113	F	79.8	Confident	68.5	Low	16 Å²	16	70.9 Å²	70.9	7%	0.07	39%	0.391	C	S	.	.	H	α-helix	trans	-63.5	-40.4	173	-175.7	-106.9	0	0	0	112.4	A1089 F1092 K1093 L1096 I1103 G1109 R1115 I1116 M1117	A1089-F1113 HydrophobicContact CB-CE1 4.3Å; A1089-F1113 WeakPolarHBondContact O-CZ 3.25Å; F1092-F1113 AromaticContact CD1-CE2 3.64Å; F1092-F1113 HydrophobicContact CD1-CE2 3.64Å; F1092-F1113 AromaticContact CD1-CZ 3.9Å; F1092-F1113 HydrophobicContact CD1-CZ 3.9Å; F1092-F1113 HydrophobicContact CE1-CE2 4.14Å; K1093-F1113 HydrophobicContact CB-CD2 4.12Å; K1093-F1113 HydrophobicContact CB-CE1 4.18Å; K1093-F1113 HydrophobicContact CB-CE2 3.54Å; K1093-F1113 HydrophobicContact CB-CZ 3.6Å; K1093-F1113 HydrophobicContact CD-CD1 4.24Å; K1093-F1113 HydrophobicContact CD-CD2 4.44Å; K1093-F1113 HydrophobicContact CD-CE1 4.38Å; K1093-F1113 HydrophobicContact CD-CG 4.28Å; K1093-F1113 HydrophobicContact CG-CD2 3.96Å; K1093-F1113 HydrophobicContact CG-CE2 3.91Å; K1093-F1113 HydrophobicContact CG-CG 4.3Å; K1093-F1113 HydrophobicContact CG-CZ 4.24Å; L1096-F1113 HydrophobicContact CD1-CD2 4.39Å; L1096-F1113 HydrophobicContact CD1-CE2 4.19Å; I1103-F1113 HydrophobicContact CD1-CD2 3.75Å; I1103-F1113 HydrophobicContact CG2-CB 4.3Å; G1109-F1113 VanDerWaalsContact O-CB 3.32Å; G1109-F1113 WeakPolarHBondContact O-CB 3.26Å; G1109-F1113 PolarHBondContact O-N 2.96Å; F1113-R1115 VanDerWaalsContact C-N 3.3Å; F1113-R1115 PolarHBondContact O-N 3.44Å; F1113-I1116 PolarHBondContact O-N 2.91Å; F1113-M1117 HydrophobicContact CE1-CE 3.86Å; F1113-M1117 HydrophobicContact CE2-CE 4.26Å; F1113-M1117 HydrophobicContact CZ-CE 3.41Å; F1113-M1117 VanDerWaalsContact CZ-CE 3.41Å; F1113-M1117 WeakPolarHBondContact O-CB 3.42Å; F1113-M1117 PolarHBondContact O-N 3.41Å
1114	S	72.6	Confident	68.5	Low	73 Å²	73	81 Å²	81	51%	0.51	43%	0.428	S	S	.	.	H	α-helix	trans	-64.1	-36.4	175.3	-62.3	0	0	0	0	112.1	E1110 N1111 E1112 S1118	E1110-S1114 VanDerWaalsContact O-CB 3.29Å; E1110-S1114 WeakPolarHBondContact O-CB 3.49Å; E1110-S1114 PolarHBondContact O-N 3.48Å; E1110-S1114 PolarHBondContact O-OG 3.29Å; N1111-S1114 PolarHBondContact O-N 2.8Å; E1112-S1114 PolarHBondContact O-N 3.36Å; S1114-S1118 PolarHBondContact O-N 3.43Å
1115	R	74.6	Confident	68.8	Low	144 Å²	144	84.7 Å²	84.7	54%	0.543	44%	0.439	S	S	.	.	H	α-helix	trans	-65.2	-47.1	172.8	-171.2	-174.8	72.2	94.8	-1.5	111	N1111 E1112 F1113 M1117 S1118 V1119	N1111-R1115 WeakPolarHBondContact O-CB 3.41Å; N1111-R1115 PolarHBondContact O-N 3.1Å; E1112-R1115 WeakPolarHBondContact O-CB 3.39Å; E1112-R1115 PolarHBondContact O-N 3.3Å; F1113-R1115 VanDerWaalsContact C-N 3.3Å; F1113-R1115 PolarHBondContact O-N 3.44Å; R1115-M1117 VanDerWaalsContact C-N 3.34Å; R1115-M1117 PolarHBondContact O-N 3.25Å; R1115-S1118 PolarHBondContact O-N 2.83Å; R1115-S1118 PolarHBondContact O-OG 2.88Å; R1115-V1119 PolarHBondContact O-N 3.22Å
1116	I	74.1	Confident	69.3	Low	13 Å²	13	79.4 Å²	79.4	7%	0.067	42%	0.419	C	S	.	.	H	α-helix	trans	-60.1	-45.9	176.8	-67.1	165.5	0	0	0	110.2	F1092 L1096 E1112 F1113 S1118 V1119 V1120 F1136	F1092-I1116 HydrophobicContact CE1-CG2 3.9Å; F1092-I1116 HydrophobicContact CZ-CG2 4.27Å; L1096-I1116 HydrophobicContact CD1-CG2 4.3Å; E1112-I1116 HydrophobicContact CG-CD1 4.25Å; E1112-I1116 VanDerWaalsContact O-CG1 3.3Å; E1112-I1116 WeakPolarHBondContact O-CG1 3.17Å; E1112-I1116 PolarHBondContact O-N 3.15Å; F1113-I1116 PolarHBondContact O-N 2.91Å; I1116-S1118 VanDerWaalsContact C-N 3.27Å; I1116-S1118 PolarHBondContact O-N 2.86Å; I1116-V1119 WeakPolarHBondContact O-CB 3.34Å; I1116-V1119 PolarHBondContact O-N 3.1Å; I1116-V1120 HydrophobicContact CG2-CG2 4.2Å; I1116-V1120 WeakPolarHBondContact O-CG2 3.31Å; I1116-V1120 PolarHBondContact O-N 2.88Å; I1116-V1120 VanDerWaalsContact O-N 3.07Å; I1116-F1136 HydrophobicContact CB-CE2 4.39Å; I1116-F1136 HydrophobicContact CD1-CZ 4.21Å; I1116-F1136 HydrophobicContact CG1-CE2 4.13Å; I1116-F1136 HydrophobicContact CG1-CZ 4.25Å; I1116-F1136 HydrophobicContact CG2-CD2 4.03Å; I1116-F1136 HydrophobicContact CG2-CE1 4.36Å; I1116-F1136 HydrophobicContact CG2-CE2 3.51Å; I1116-F1136 HydrophobicContact CG2-CZ 3.7Å
1117	M	76.7	Confident	69.9	Low	26 Å²	26	78 Å²	78	13%	0.128	41%	0.414	C	S	.	.	H	α-helix	trans	-59	-37.5	177.4	-170.7	58.7	65.5	0	0	112.1	A1089 F1092 F1113 R1115 V1119 V1120 D1121 V1128	A1089-M1117 HydrophobicContact CB-CE 3.69Å; F1092-M1117 HydrophobicContact CB-CE 4.48Å; F1092-M1117 HydrophobicContact CD1-CE 3.67Å; F1092-M1117 HydrophobicContact CE1-CE 4.37Å; F1092-M1117 HydrophobicContact CG-CE 4.43Å; F1113-M1117 HydrophobicContact CE1-CE 3.86Å; F1113-M1117 HydrophobicContact CE2-CE 4.26Å; F1113-M1117 HydrophobicContact CZ-CE 3.41Å; F1113-M1117 VanDerWaalsContact CZ-CE 3.41Å; F1113-M1117 WeakPolarHBondContact O-CB 3.42Å; F1113-M1117 PolarHBondContact O-N 3.41Å; R1115-M1117 VanDerWaalsContact C-N 3.34Å; R1115-M1117 PolarHBondContact O-N 3.25Å; M1117-V1119 PolarHBondContact O-N 3.16Å; M1117-V1120 PolarHBondContact O-N 2.89Å; M1117-D1121 WeakPolarHBondContact O-CA 3.24Å; M1117-D1121 PolarHBondContact O-N 2.98Å; M1117-D1121 HydrophobicContact SD-CB 4.13Å; M1117-V1128 HydrophobicContact CE-CG2 4.08Å; M1117-V1128 HydrophobicContact SD-CG2 3.75Å
1118	S	72.6	Confident	70.7	Confident	71 Å²	71	74.7 Å²	74.7	50%	0.497	39%	0.386	S	S	.	.	H	α-helix	trans	-66.8	-23.5	176.7	75.3	0	0	0	0	114.4	S1114 R1115 I1116	S1114-S1118 PolarHBondContact O-N 3.43Å; R1115-S1118 PolarHBondContact O-N 2.83Å; R1115-S1118 PolarHBondContact O-OG 2.88Å; I1116-S1118 VanDerWaalsContact C-N 3.27Å; I1116-S1118 PolarHBondContact O-N 2.86Å
1119	V	70.8	Confident	71.6	Confident	64 Å²	64	70.3 Å²	70.3	39%	0.388	37%	0.37	S	S	.	.	H	α-helix	trans	-85.4	-35.5	177.7	175.3	0	0	0	0	111.2	R1115 I1116 M1117	R1115-V1119 PolarHBondContact O-N 3.22Å; I1116-V1119 WeakPolarHBondContact O-CB 3.34Å; I1116-V1119 PolarHBondContact O-N 3.1Å; M1117-V1119 PolarHBondContact O-N 3.16Å
1120	V	68.8	Low	71.9	Confident	12 Å²	12	71.1 Å²	71.1	7%	0.073	37%	0.372	C	S	.	.	H	α-helix	trans	-90.3	-27.4	-174.9	-174.6	0	0	0	0	112	F1092 I1116 M1117 V1128 A1132 F1136	F1092-V1120 HydrophobicContact CE2-CG1 4.4Å; F1092-V1120 HydrophobicContact CZ-CB 4.44Å; F1092-V1120 HydrophobicContact CZ-CG1 4.12Å; F1092-V1120 HydrophobicContact CZ-CG2 4.13Å; I1116-V1120 HydrophobicContact CG2-CG2 4.2Å; I1116-V1120 WeakPolarHBondContact O-CG2 3.31Å; I1116-V1120 PolarHBondContact O-N 2.88Å; I1116-V1120 VanDerWaalsContact O-N 3.07Å; M1117-V1120 PolarHBondContact O-N 2.89Å; V1120-V1128 HydrophobicContact CB-CG2 4.39Å; V1120-V1128 HydrophobicContact CG1-CB 4.08Å; V1120-V1128 HydrophobicContact CG1-CG1 3.32Å; V1120-V1128 HydrophobicContact CG1-CG2 3.71Å; V1120-A1132 HydrophobicContact CG1-CB 3.64Å; V1120-A1132 WeakPolarHBondContact O-CB 3.39Å; V1120-F1136 HydrophobicContact CG2-CB 3.76Å; V1120-F1136 HydrophobicContact CG2-CD2 3.78Å; V1120-F1136 HydrophobicContact CG2-CG 3.89Å
1121	D	73.6	Confident	71.8	Confident	12 Å²	12	68.5 Å²	68.5	6%	0.064	36%	0.36	C	S	.	.			trans	-129	73.1	173.5	177.8	22.7	0	0	0	111.2	M1117 N1123 R1124 M1125 G1126	M1117-D1121 WeakPolarHBondContact O-CA 3.24Å; M1117-D1121 PolarHBondContact O-N 2.98Å; M1117-D1121 HydrophobicContact SD-CB 4.13Å; D1121-N1123 PolarHBondContact O-N 2.83Å; D1121-R1124 PolarHBondContact O-N 2.96Å; D1121-R1124 PolarHBondContact OD1-N 3.46Å; D1121-R1124 VanDerWaalsContact OD1-N 3.1Å; D1121-R1124 VanDerWaalsContact OD2-C 3.31Å; D1121-R1124 WeakPolarHBondContact OD2-CA 3.45Å; D1121-M1125 VanDerWaalsContact CG-N 3.34Å; D1121-M1125 PolarHBondContact OD1-N 3.33Å; D1121-M1125 PolarHBondContact OD2-N 3.44Å; D1121-G1126 PolarHBondContact OD2-N 3.24Å
1122	P	62.8	Low	71.8	Confident	83 Å²	83	63.7 Å²	63.7	54%	0.539	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-18.8	179.5	24.6	-32.5	0	0	0	113.3	R1124	P1122-R1124 VanDerWaalsContact C-N 3.34Å
1123	N	67.6	Low	72	Confident	128 Å²	128	58.9 Å²	58.9	68%	0.684	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-4.9	179.1	-65.8	-11.9	0	0	0	112.8	D1121 M1125	D1121-N1123 PolarHBondContact O-N 2.83Å; N1123-M1125 HydrophobicContact CB-CG 3.91Å; N1123-M1125 HydrophobicContact CB-SD 4.3Å; N1123-M1125 PolarHBondContact O-N 3.39Å
1124	R	66.9	Low	71.6	Confident	228 Å²	228	58.3 Å²	58.3	86%	0.86	31%	0.312	S	S	*	.			trans	52.8	40.2	-176	-58.6	-173.7	-179.9	-161.4	-0.1	113.2	D1121 P1122 G1126	D1121-R1124 PolarHBondContact O-N 2.96Å; D1121-R1124 PolarHBondContact OD1-N 3.46Å; D1121-R1124 VanDerWaalsContact OD1-N 3.1Å; D1121-R1124 VanDerWaalsContact OD2-C 3.31Å; D1121-R1124 WeakPolarHBondContact OD2-CA 3.45Å; P1122-R1124 VanDerWaalsContact C-N 3.34Å; R1124-G1126 PolarHBondContact O-N 3.22Å
1125	M	65.4	Low	71.3	Confident	126 Å²	126	56.1 Å²	56.1	62%	0.621	30%	0.295	S	S	*	.			trans	-74.6	-14.3	175	-64.5	-174.8	3.5	0	0	112.6	D1121 N1123 T1127	D1121-M1125 VanDerWaalsContact CG-N 3.34Å; D1121-M1125 PolarHBondContact OD1-N 3.33Å; D1121-M1125 PolarHBondContact OD2-N 3.44Å; N1123-M1125 HydrophobicContact CB-CG 3.91Å; N1123-M1125 HydrophobicContact CB-SD 4.3Å; N1123-M1125 PolarHBondContact O-N 3.39Å; M1125-T1127 VanDerWaalsContact C-N 3.32Å
1126	G	68.9	Low	71.2	Confident	39 Å²	39	50.1 Å²	50.1	40%	0.402	27%	0.272	S	S	.	.	S	Bend	trans	82.1	7.3	-179.5	0	0	0	0	0	114	D1121 R1124	D1121-G1126 PolarHBondContact OD2-N 3.24Å; R1124-G1126 PolarHBondContact O-N 3.22Å
1127	T	77	Confident	70.9	Confident	46 Å²	46	50.1 Å²	50.1	28%	0.282	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	140.9	-176.5	58.6	0	0	0	0	111.6	L1087 M1125	L1087-T1127 CarbonylContact O-C 3.49Å; L1087-T1127 WeakPolarHBondContact O-CA 3.42Å; M1125-T1127 VanDerWaalsContact C-N 3.32Å
1128	V	77.1	Confident	70.2	Confident	0 Å²	0	49 Å²	49	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	117.5	-178.9	171.2	0	0	0	0	109.3	T1086 L1087 F1092 M1117 V1120 A1132 F1133	T1086-V1128 CarbonylContact C-O 3.44Å; T1086-V1128 VanDerWaalsContact CA-O 3.29Å; T1086-V1128 WeakPolarHBondContact CA-O 3.41Å; L1087-V1128 PolarHBondContact N-O 3.1Å; L1087-V1128 PolarHBondContact O-N 3.01Å; F1092-V1128 HydrophobicContact CB-CG2 4.31Å; F1092-V1128 HydrophobicContact CD1-CG2 4.03Å; F1092-V1128 HydrophobicContact CD2-CB 3.99Å; F1092-V1128 HydrophobicContact CD2-CG1 3.7Å; F1092-V1128 HydrophobicContact CD2-CG2 4.02Å; F1092-V1128 HydrophobicContact CE1-CG2 4.35Å; F1092-V1128 HydrophobicContact CE2-CB 4.36Å; F1092-V1128 HydrophobicContact CE2-CG1 3.67Å; F1092-V1128 HydrophobicContact CE2-CG2 4.3Å; F1092-V1128 HydrophobicContact CG-CB 4.24Å; F1092-V1128 HydrophobicContact CG-CG1 4.41Å; F1092-V1128 HydrophobicContact CG-CG2 3.87Å; F1092-V1128 HydrophobicContact CZ-CG1 4.4Å; F1092-V1128 HydrophobicContact CZ-CG2 4.5Å; M1117-V1128 HydrophobicContact CE-CG2 4.08Å; M1117-V1128 HydrophobicContact SD-CG2 3.75Å; V1120-V1128 HydrophobicContact CB-CG2 4.39Å; V1120-V1128 HydrophobicContact CG1-CB 4.08Å; V1120-V1128 HydrophobicContact CG1-CG1 3.32Å; V1120-V1128 HydrophobicContact CG1-CG2 3.71Å; V1128-A1132 HydrophobicContact CG1-CB 4.38Å; V1128-F1133 HydrophobicContact CG1-CB 4.06Å
1129	T	77.9	Confident	69.6	Low	62 Å²	62	50.3 Å²	50.3	38%	0.38	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	155.3	174.3	63.3	0	0	0	0	111.4	T1086 Q1131 A1132 F1133	T1086-T1129 HydrophobicContact CG2-CG2 4.05Å; T1129-Q1131 PolarHBondContact O-N 3.15Å; T1129-A1132 PolarHBondContact O-N 3.08Å; T1129-A1132 WeakPolarHBondContact OG1-CB 3.31Å; T1129-A1132 PolarHBondContact OG1-N 3.45Å; T1129-F1133 PolarHBondContact O-N 2.9Å
1130	F	71.9	Confident	69.1	Low	20 Å²	20	52.6 Å²	52.6	9%	0.088	27%	0.268	C	S	.	.	H	α-helix	trans	-56.6	-35.6	175.9	-174.9	-120.4	0	0	0	112.8	R1073 F1076 F1133 I1134	R1073-F1130 HydrophobicContact CB-CE1 4.35Å; R1073-F1130 HydrophobicContact CB-CE2 4.08Å; R1073-F1130 HydrophobicContact CB-CZ 3.53Å; R1073-F1130 HydrophobicContact CG-CE1 3.92Å; R1073-F1130 HydrophobicContact CG-CE2 4.07Å; R1073-F1130 HydrophobicContact CG-CZ 3.5Å; R1073-F1130 VanDerWaalsContact CG-CZ 3.5Å; F1076-F1130 HydrophobicContact CB-CD2 3.6Å; F1076-F1130 HydrophobicContact CB-CE2 3.64Å; F1076-F1130 HydrophobicContact CD1-CB 4.14Å; F1076-F1130 AromaticContact CD1-CD2 3.58Å; F1076-F1130 HydrophobicContact CD1-CD2 3.58Å; F1076-F1130 HydrophobicContact CD1-CE2 4.4Å; F1076-F1130 HydrophobicContact CD1-CG 4.21Å; F1076-F1130 AromaticContact CD2-CD2 3.65Å; F1076-F1130 HydrophobicContact CD2-CD2 3.65Å; F1076-F1130 HydrophobicContact CD2-CE2 4.41Å; F1076-F1130 HydrophobicContact CE1-CB 3.77Å; F1076-F1130 HydrophobicContact CE1-CD2 4.08Å; F1076-F1130 HydrophobicContact CE1-CG 4.35Å; F1076-F1130 HydrophobicContact CE2-CB 4.2Å; F1076-F1130 HydrophobicContact CE2-CD2 4.13Å; F1076-F1130 AromaticContact CG-CD2 3.34Å; F1076-F1130 HydrophobicContact CG-CD2 3.34Å; F1076-F1130 AromaticContact CG-CE2 3.95Å; F1076-F1130 HydrophobicContact CG-CE2 3.95Å; F1076-F1130 HydrophobicContact CG-CG 4.35Å; F1076-F1130 VanDerWaalsContact CZ-CA 3.47Å; F1076-F1130 HydrophobicContact CZ-CB 3.79Å; F1076-F1130 HydrophobicContact CZ-CD2 4.32Å; F1076-F1130 VanDerWaalsContact CZ-N 3.31Å; F1130-F1133 AromaticContact CD2-CD1 3.9Å; F1130-F1133 HydrophobicContact CD2-CD1 3.9Å; F1130-F1133 AromaticContact CE2-CD1 3.9Å; F1130-F1133 HydrophobicContact CE2-CD1 3.9Å; F1130-F1133 HydrophobicContact CE2-CE1 4.17Å; F1130-F1133 PolarHBondContact O-N 3.05Å; F1130-I1134 HydrophobicContact CD1-CD1 4.16Å; F1130-I1134 HydrophobicContact CE1-CD1 3.42Å; F1130-I1134 VanDerWaalsContact CE1-CD1 3.42Å; F1130-I1134 HydrophobicContact CE1-CG1 4.12Å; F1130-I1134 HydrophobicContact CE2-CD1 4.21Å; F1130-I1134 HydrophobicContact CE2-CG1 4.12Å; F1130-I1134 HydrophobicContact CZ-CD1 3.45Å; F1130-I1134 VanDerWaalsContact CZ-CD1 3.45Å; F1130-I1134 HydrophobicContact CZ-CG1 3.87Å; F1130-I1134 PolarHBondContact O-N 2.84Å
1131	Q	67.7	Low	68.2	Low	57 Å²	57	57.1 Å²	57.1	27%	0.266	30%	0.296	S	S	.	.	H	α-helix	trans	-64.3	-46	175.3	-174.6	63.1	40	0	0	111.8	T1058 T1129 F1133 I1134 D1135	T1058-Q1131 PolarHBondContact OG1-NE2 3.42Å; T1129-Q1131 PolarHBondContact O-N 3.15Å; Q1131-F1133 VanDerWaalsContact C-N 3.28Å; Q1131-F1133 PolarHBondContact O-N 3.12Å; Q1131-I1134 PolarHBondContact O-N 2.69Å; Q1131-D1135 PolarHBondContact NE2-OD1 3.08Å; Q1131-D1135 WeakPolarHBondContact O-CB 3.33Å; Q1131-D1135 VanDerWaalsContact O-CG 3.29Å; Q1131-D1135 PolarHBondContact O-N 2.89Å
1132	A	71	Confident	66.8	Low	17 Å²	17	59.1 Å²	59.1	14%	0.14	31%	0.314	C	S	.	.	H	α-helix	trans	-65	-34.1	177.7	0	0	0	0	0	111.9	V1120 V1128 T1129 D1135 F1136	V1120-A1132 HydrophobicContact CG1-CB 3.64Å; V1120-A1132 WeakPolarHBondContact O-CB 3.39Å; V1128-A1132 HydrophobicContact CG1-CB 4.38Å; T1129-A1132 PolarHBondContact O-N 3.08Å; T1129-A1132 WeakPolarHBondContact OG1-CB 3.31Å; T1129-A1132 PolarHBondContact OG1-N 3.45Å; A1132-D1135 PolarHBondContact O-N 3.23Å; A1132-F1136 WeakPolarHBondContact O-CB 3.39Å; A1132-F1136 PolarHBondContact O-N 2.85Å
1133	F	74.3	Confident	65.8	Low	0 Å²	0	63.5 Å²	63.5	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-67.2	-46.6	172.8	167.3	-108.8	0	0	0	112.8	F1072 F1076 F1092 L1099 V1128 T1129 F1130 Q1131 D1135 F1136 M1137	F1072-F1133 HydrophobicContact CB-CE1 3.97Å; F1072-F1133 WeakPolarHBondContact O-CE1 3.47Å; F1076-F1133 HydrophobicContact CB-CD1 4.08Å; F1076-F1133 HydrophobicContact CB-CE1 3.91Å; F1076-F1133 HydrophobicContact CD2-CB 3.85Å; F1076-F1133 AromaticContact CD2-CD1 3.43Å; F1076-F1133 HydrophobicContact CD2-CD1 3.43Å; F1076-F1133 VanDerWaalsContact CD2-CD1 3.43Å; F1076-F1133 HydrophobicContact CD2-CD2 4.44Å; F1076-F1133 HydrophobicContact CD2-CE1 4.04Å; F1076-F1133 AromaticContact CD2-CG 3.65Å; F1076-F1133 HydrophobicContact CD2-CG 3.65Å; F1076-F1133 HydrophobicContact CE2-CB 3.78Å; F1076-F1133 HydrophobicContact CE2-CD1 4.23Å; F1076-F1133 HydrophobicContact CE2-CG 4.11Å; F1076-F1133 HydrophobicContact CG-CD1 4.14Å; F1076-F1133 HydrophobicContact CG-CE1 4.46Å; F1092-F1133 HydrophobicContact CD2-CD2 4.39Å; F1092-F1133 HydrophobicContact CE2-CB 4.38Å; F1092-F1133 AromaticContact CE2-CD2 3.77Å; F1092-F1133 HydrophobicContact CE2-CD2 3.77Å; L1099-F1133 HydrophobicContact CD1-CE2 3.72Å; L1099-F1133 HydrophobicContact CD1-CZ 3.5Å; V1128-F1133 HydrophobicContact CG1-CB 4.06Å; T1129-F1133 PolarHBondContact O-N 2.9Å; F1130-F1133 AromaticContact CD2-CD1 3.9Å; F1130-F1133 HydrophobicContact CD2-CD1 3.9Å; F1130-F1133 AromaticContact CE2-CD1 3.9Å; F1130-F1133 HydrophobicContact CE2-CD1 3.9Å; F1130-F1133 HydrophobicContact CE2-CE1 4.17Å; F1130-F1133 PolarHBondContact O-N 3.05Å; Q1131-F1133 VanDerWaalsContact C-N 3.28Å; Q1131-F1133 PolarHBondContact O-N 3.12Å; F1133-D1135 VanDerWaalsContact C-N 3.3Å; F1133-D1135 PolarHBondContact O-N 3.01Å; F1133-F1136 WeakPolarHBondContact O-CB 3.29Å; F1133-F1136 PolarHBondContact O-N 3.24Å; F1133-M1137 HydrophobicContact CD2-CG 3.94Å; F1133-M1137 HydrophobicContact CE1-CG 4.41Å; F1133-M1137 HydrophobicContact CE2-CG 3.57Å; F1133-M1137 HydrophobicContact CE2-SD 4Å; F1133-M1137 HydrophobicContact CZ-CG 3.84Å; F1133-M1137 HydrophobicContact CZ-SD 4.48Å; F1133-M1137 WeakPolarHBondContact O-CG 3.23Å; F1133-M1137 PolarHBondContact O-N 3.13Å
1134	I	71.6	Confident	64.9	Low	3 Å²	3	61.5 Å²	61.5	2%	0.015	33%	0.325	C	S	.	.	H	α-helix	trans	-60.9	-42	172.8	-76.6	-170.3	0	0	0	110.6	T1058 I1064 L1069 F1130 Q1131 F1136 M1137 S1138	T1058-I1134 HydrophobicContact CG2-CG2 4.1Å; I1064-I1134 HydrophobicContact CD1-CG2 4.26Å; L1069-I1134 HydrophobicContact CD1-CD1 3.88Å; L1069-I1134 HydrophobicContact CG-CD1 4.25Å; F1130-I1134 HydrophobicContact CD1-CD1 4.16Å; F1130-I1134 HydrophobicContact CE1-CD1 3.42Å; F1130-I1134 VanDerWaalsContact CE1-CD1 3.42Å; F1130-I1134 HydrophobicContact CE1-CG1 4.12Å; F1130-I1134 HydrophobicContact CE2-CD1 4.21Å; F1130-I1134 HydrophobicContact CE2-CG1 4.12Å; F1130-I1134 HydrophobicContact CZ-CD1 3.45Å; F1130-I1134 VanDerWaalsContact CZ-CD1 3.45Å; F1130-I1134 HydrophobicContact CZ-CG1 3.87Å; F1130-I1134 PolarHBondContact O-N 2.84Å; Q1131-I1134 PolarHBondContact O-N 2.69Å; I1134-F1136 VanDerWaalsContact C-N 3.28Å; I1134-F1136 PolarHBondContact O-N 2.96Å; I1134-M1137 PolarHBondContact O-N 3.31Å; I1134-S1138 WeakPolarHBondContact O-CB 3.41Å; I1134-S1138 PolarHBondContact O-N 3.03Å; I1134-S1138 PolarHBondContact O-OG 3.19Å
1135	D	66.8	Low	64.3	Low	28 Å²	28	53.8 Å²	53.8	15%	0.15	30%	0.301	C	S	.	.	H	α-helix	trans	-63	-35.2	178.5	-76.9	-23	0	0	0	112.2	K1062 Q1131 A1132 F1133 S1138 R1139	K1062-D1135 IonicContact NZ-OD1 3.68Å; K1062-D1135 PolarHBondContact NZ-OD1 3.35Å; Q1131-D1135 PolarHBondContact NE2-OD1 3.08Å; Q1131-D1135 WeakPolarHBondContact O-CB 3.33Å; Q1131-D1135 VanDerWaalsContact O-CG 3.29Å; Q1131-D1135 PolarHBondContact O-N 2.89Å; A1132-D1135 PolarHBondContact O-N 3.23Å; F1133-D1135 VanDerWaalsContact C-N 3.3Å; F1133-D1135 PolarHBondContact O-N 3.01Å; D1135-S1138 WeakPolarHBondContact CA-OG 3.31Å; D1135-S1138 PolarHBondContact O-OG 2.62Å; D1135-R1139 VanDerWaalsContact O-CB 3.29Å; D1135-R1139 WeakPolarHBondContact O-CB 3.37Å; D1135-R1139 WeakPolarHBondContact O-CD 3.42Å; D1135-R1139 WeakPolarHBondContact O-CG 3.36Å; D1135-R1139 PolarHBondContact O-N 2.81Å; D1135-R1139 VanDerWaalsContact O-N 3.12Å
1136	F	72.1	Confident	64	Low	17 Å²	17	51 Å²	51	8%	0.075	29%	0.291	C	S	.	.	H	α-helix	trans	-68.4	-52.8	172	176.4	-101	0	0	0	112.5	F1092 L1096 F1101 I1116 V1120 A1132 F1133 I1134 S1138 R1139 E1140	F1092-F1136 HydrophobicContact CZ-CD1 4.46Å; L1096-F1136 HydrophobicContact CD2-CD1 4.03Å; L1096-F1136 HydrophobicContact CD2-CE1 3.5Å; L1096-F1136 HydrophobicContact CD2-CZ 4.47Å; F1101-F1136 HydrophobicContact CZ-CE1 4.45Å; I1116-F1136 HydrophobicContact CB-CE2 4.39Å; I1116-F1136 HydrophobicContact CD1-CZ 4.21Å; I1116-F1136 HydrophobicContact CG1-CE2 4.13Å; I1116-F1136 HydrophobicContact CG1-CZ 4.25Å; I1116-F1136 HydrophobicContact CG2-CD2 4.03Å; I1116-F1136 HydrophobicContact CG2-CE1 4.36Å; I1116-F1136 HydrophobicContact CG2-CE2 3.51Å; I1116-F1136 HydrophobicContact CG2-CZ 3.7Å; V1120-F1136 HydrophobicContact CG2-CB 3.76Å; V1120-F1136 HydrophobicContact CG2-CD2 3.78Å; V1120-F1136 HydrophobicContact CG2-CG 3.89Å; A1132-F1136 WeakPolarHBondContact O-CB 3.39Å; A1132-F1136 PolarHBondContact O-N 2.85Å; F1133-F1136 WeakPolarHBondContact O-CB 3.29Å; F1133-F1136 PolarHBondContact O-N 3.24Å; I1134-F1136 VanDerWaalsContact C-N 3.28Å; I1134-F1136 PolarHBondContact O-N 2.96Å; F1136-S1138 VanDerWaalsContact C-N 3.27Å; F1136-S1138 PolarHBondContact O-N 2.99Å; F1136-R1139 WeakPolarHBondContact O-CB 3.32Å; F1136-R1139 PolarHBondContact O-N 2.81Å; F1136-R1139 VanDerWaalsContact O-N 3.12Å; F1136-E1140 HydrophobicContact CE2-CG 4.42Å; F1136-E1140 HydrophobicContact CZ-CG 4.18Å; F1136-E1140 PolarHBondContact O-N 2.93Å; F1136-E1140 VanDerWaalsContact O-N 3.14Å
1137	M	68.3	Low	63.4	Low	13 Å²	13	49.6 Å²	49.6	6%	0.064	28%	0.275	C	S	.	.	H	α-helix	trans	-63.1	-33.8	-178.5	-67.5	-61.4	-65.4	0	0	112.4	F1072 L1096 L1099 F1101 F1133 I1134 T1141	F1072-M1137 HydrophobicContact CD1-CE 4.1Å; F1072-M1137 HydrophobicContact CE1-CB 4.37Å; F1072-M1137 HydrophobicContact CE1-CE 3.56Å; F1072-M1137 HydrophobicContact CE2-CB 4.34Å; F1072-M1137 HydrophobicContact CZ-CB 4.21Å; F1072-M1137 HydrophobicContact CZ-CE 4.22Å; L1096-M1137 HydrophobicContact CD2-SD 4.31Å; L1099-M1137 HydrophobicContact CB-CE 4.42Å; L1099-M1137 HydrophobicContact CD1-CE 4.06Å; L1099-M1137 HydrophobicContact CD1-SD 4.29Å; F1101-M1137 HydrophobicContact CE2-CE 4.02Å; F1101-M1137 HydrophobicContact CE2-SD 3.93Å; F1133-M1137 HydrophobicContact CD2-CG 3.94Å; F1133-M1137 HydrophobicContact CE1-CG 4.41Å; F1133-M1137 HydrophobicContact CE2-CG 3.57Å; F1133-M1137 HydrophobicContact CE2-SD 4Å; F1133-M1137 HydrophobicContact CZ-CG 3.84Å; F1133-M1137 HydrophobicContact CZ-SD 4.48Å; F1133-M1137 WeakPolarHBondContact O-CG 3.23Å; F1133-M1137 PolarHBondContact O-N 3.13Å; I1134-M1137 PolarHBondContact O-N 3.31Å; M1137-T1141 PolarHBondContact O-OG1 2.85Å
1138	S	60.4	Low	62.5	Low	4 Å²	4	52.6 Å²	52.6	3%	0.028	29%	0.29	C	S	.	.	H	α-helix	trans	-77.2	-28.3	175.4	59.8	0	0	0	0	113.7	K1062 I1134 D1135 F1136 T1141 A1142	K1062-S1138 WeakPolarHBondContact CD-OG 3.31Å; K1062-S1138 PolarHBondContact NZ-OG 3.13Å; I1134-S1138 WeakPolarHBondContact O-CB 3.41Å; I1134-S1138 PolarHBondContact O-N 3.03Å; I1134-S1138 PolarHBondContact O-OG 3.19Å; D1135-S1138 WeakPolarHBondContact CA-OG 3.31Å; D1135-S1138 PolarHBondContact O-OG 2.62Å; F1136-S1138 VanDerWaalsContact C-N 3.27Å; F1136-S1138 PolarHBondContact O-N 2.99Å; S1138-T1141 WeakPolarHBondContact CA-OG1 3.34Å; S1138-T1141 PolarHBondContact O-N 2.99Å; S1138-T1141 PolarHBondContact O-OG1 2.81Å; S1138-A1142 VanDerWaalsContact O-CB 3.24Å; S1138-A1142 WeakPolarHBondContact O-CB 3.36Å; S1138-A1142 PolarHBondContact O-N 2.63Å; S1138-A1142 VanDerWaalsContact O-N 3.15Å
1139	R	60.9	Low	61.8	Low	97 Å²	97	55.9 Å²	55.9	37%	0.366	31%	0.305	S	S	.	.	H	α-helix	trans	-69.3	-38.8	173.1	-86.3	170.6	172.1	-177.9	-5.1	112.6	D1135 F1136 T1141	D1135-R1139 VanDerWaalsContact O-CB 3.29Å; D1135-R1139 WeakPolarHBondContact O-CB 3.37Å; D1135-R1139 WeakPolarHBondContact O-CD 3.42Å; D1135-R1139 WeakPolarHBondContact O-CG 3.36Å; D1135-R1139 PolarHBondContact O-N 2.81Å; D1135-R1139 VanDerWaalsContact O-N 3.12Å; F1136-R1139 WeakPolarHBondContact O-CB 3.32Å; F1136-R1139 PolarHBondContact O-N 2.81Å; F1136-R1139 VanDerWaalsContact O-N 3.12Å; R1139-T1141 PolarHBondContact O-N 2.87Å
1140	E	59.7	Low	61.2	Low	113 Å²	113	53.1 Å²	53.1	53%	0.528	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-20.7	175.8	-83	-87	134.9	0	0	112.8	F1101 F1136	F1101-E1140 HydrophobicContact CE1-CG 4.14Å; F1101-E1140 WeakPolarHBondContact CE1-OE2 3.42Å; F1101-E1140 HydrophobicContact CZ-CB 4.18Å; F1101-E1140 HydrophobicContact CZ-CG 3.84Å; F1101-E1140 VanDerWaalsContact CZ-OE2 3.3Å; F1101-E1140 WeakPolarHBondContact CZ-OE2 3.49Å; F1136-E1140 HydrophobicContact CE2-CG 4.42Å; F1136-E1140 HydrophobicContact CZ-CG 4.18Å; F1136-E1140 PolarHBondContact O-N 2.93Å; F1136-E1140 VanDerWaalsContact O-N 3.14Å
1141	T	49.8	Very low	61	Low	107 Å²	107	54 Å²	54	66%	0.656	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.5	-9	-175.8	46.1	0	0	0	0	114.6	M1137 S1138 R1139	M1137-T1141 PolarHBondContact O-OG1 2.85Å; S1138-T1141 WeakPolarHBondContact CA-OG1 3.34Å; S1138-T1141 PolarHBondContact O-N 2.99Å; S1138-T1141 PolarHBondContact O-OG1 2.81Å; R1139-T1141 PolarHBondContact O-N 2.87Å
1142	A	45.1	Very low	60.9	Low	53 Å²	53	53.8 Å²	53.8	44%	0.438	30%	0.301	S	S	.	.			trans	-112	120.7	-175.5	0	0	0	0	0	113.8	S1138 T1144	S1138-A1142 VanDerWaalsContact O-CB 3.24Å; S1138-A1142 WeakPolarHBondContact O-CB 3.36Å; S1138-A1142 PolarHBondContact O-N 2.63Å; S1138-A1142 VanDerWaalsContact O-N 3.15Å; A1142-T1144 PolarHBondContact O-N 2.97Å; A1142-T1144 PolarHBondContact O-OG1 2.7Å
1143	D	42.3	Very low	60.8	Low	175 Å²	175	53.4 Å²	53.4	94%	0.936	30%	0.297	S	S	*	.			trans	-61.7	116.8	167.7	-87.8	-29.9	0	0	0	110.2
1144	T	48.4	Very low	60.8	Low	86 Å²	86	53.5 Å²	53.5	53%	0.528	30%	0.298	S	S	.	.			trans	-112.2	144.3	179.2	4.4	0	0	0	0	112.7	A1142 T1146	A1142-T1144 PolarHBondContact O-N 2.97Å; A1142-T1144 PolarHBondContact O-OG1 2.7Å; T1144-T1146 PolarHBondContact O-N 2.97Å
1145	D	53.6	Low	60.9	Low	67 Å²	67	57.3 Å²	57.3	36%	0.358	31%	0.314	S	S	.	.			trans	-72	118.7	-177.5	-68.4	0.8	0	0	0	112	R582 Q1149	R582-D1145 IonicContact CZ-OD1 2.99Å; R582-D1145 IonicContact CZ-OD2 2.69Å; R582-D1145 IonicContact NE-OD1 2.93Å; R582-D1145 IonicContact NE-OD2 2.88Å; R582-D1145 PolarHBondContact NE-OD2 3.03Å; R582-D1145 IonicContact NH2-OD1 3.59Å; R582-D1145 PolarHBondContact NH2-OD1 2.82Å; R582-D1145 IonicContact NH2-OD2 2.98Å; R582-D1145 PolarHBondContact NH2-OD2 2.99Å; D1145-Q1149 PolarHBondContact OD1-OE1 2.95Å
1146	T	58.1	Low	61.1	Low	68 Å²	68	59 Å²	59	42%	0.417	33%	0.326	S	S	.	.			trans	-91.6	164.2	-178.1	59.5	0	0	0	0	113.6	T1144 D1148 Q1149 V1150	T1144-T1146 PolarHBondContact O-N 2.97Å; T1146-D1148 PolarHBondContact O-N 2.82Å; T1146-Q1149 WeakPolarHBondContact O-CB 3.48Å; T1146-Q1149 PolarHBondContact O-N 3.24Å; T1146-Q1149 WeakPolarHBondContact OG1-CG 3.19Å; T1146-V1150 PolarHBondContact O-N 2.93Å
1147	A	56.6	Low	61	Low	8 Å²	8	59 Å²	59	7%	0.066	33%	0.326	C	S	.	.	H	α-helix	trans	-52.5	-39.6	173.2	0	0	0	0	0	111.9	Q1149 V1150 M1151 Y1208	A1147-Q1149 VanDerWaalsContact C-N 3.31Å; A1147-Q1149 PolarHBondContact O-N 3.26Å; A1147-V1150 PolarHBondContact O-N 2.79Å; A1147-M1151 WeakPolarHBondContact O-CB 3.48Å; A1147-M1151 WeakPolarHBondContact O-CG 3.33Å; A1147-M1151 PolarHBondContact O-N 3.36Å; A1147-Y1208 HydrophobicContact CB-CD2 4.15Å; A1147-Y1208 HydrophobicContact CB-CG 4.08Å
1148	D	58.9	Low	61.2	Low	110 Å²	110	58.5 Å²	58.5	59%	0.588	32%	0.324	S	S	*	.	H	α-helix	trans	-60.4	-35.9	174.9	-71.1	-36.6	0	0	0	113.3	T1146 A1152	T1146-D1148 PolarHBondContact O-N 2.82Å; D1148-A1152 VanDerWaalsContact O-CB 3.26Å; D1148-A1152 WeakPolarHBondContact O-CB 3.43Å; D1148-A1152 PolarHBondContact O-N 2.81Å
1149	Q	62.3	Low	61.6	Low	69 Å²	69	60.8 Å²	60.8	32%	0.322	35%	0.348	S	S	.	.	H	α-helix	trans	-73.4	-33.1	178.5	-68.9	-177.7	13.5	0	0	112.3	D1145 T1146 A1147 S1153	D1145-Q1149 PolarHBondContact OD1-OE1 2.95Å; T1146-Q1149 WeakPolarHBondContact O-CB 3.48Å; T1146-Q1149 PolarHBondContact O-N 3.24Å; T1146-Q1149 WeakPolarHBondContact OG1-CG 3.19Å; A1147-Q1149 VanDerWaalsContact C-N 3.31Å; A1147-Q1149 PolarHBondContact O-N 3.26Å; Q1149-S1153 PolarHBondContact O-N 2.67Å; Q1149-S1153 VanDerWaalsContact O-N 3.1Å; Q1149-S1153 PolarHBondContact O-OG 2.58Å
1150	V	65.6	Low	62.1	Low	3 Å²	3	62 Å²	62	2%	0.018	36%	0.362	C	S	.	.	H	α-helix	trans	-74.6	-39.2	173.5	177.9	0	0	0	0	111	V586 T1146 A1147 A1152 S1153 F1154 Y1208	V586-V1150 HydrophobicContact CG2-CG2 4.24Å; T1146-V1150 PolarHBondContact O-N 2.93Å; A1147-V1150 PolarHBondContact O-N 2.79Å; V1150-A1152 VanDerWaalsContact C-N 3.34Å; V1150-A1152 PolarHBondContact O-N 2.89Å; V1150-S1153 WeakPolarHBondContact O-CA 3.11Å; V1150-S1153 WeakPolarHBondContact O-CB 3.4Å; V1150-S1153 PolarHBondContact O-N 2.9Å; V1150-S1153 VanDerWaalsContact O-N 3.07Å; V1150-F1154 HydrophobicContact CG1-CD2 4.02Å; V1150-F1154 HydrophobicContact CG1-CE2 3.96Å; V1150-F1154 PolarHBondContact O-N 3.16Å; V1150-Y1208 HydrophobicContact CB-CE2 4.11Å; V1150-Y1208 HydrophobicContact CG1-CE2 4.42Å; V1150-Y1208 HydrophobicContact CG2-CE2 3.71Å; V1150-Y1208 WeakPolarHBondContact CG2-OH 3.36Å
1151	M	68.6	Low	63	Low	38 Å²	38	60.3 Å²	60.3	19%	0.187	35%	0.353	C	S	.	.	H	α-helix	trans	-60.2	-43.3	171.3	-75.7	177.6	61.9	0	0	111.9	A1147 S1153 F1154 K1155 M1201	A1147-M1151 WeakPolarHBondContact O-CB 3.48Å; A1147-M1151 WeakPolarHBondContact O-CG 3.33Å; A1147-M1151 PolarHBondContact O-N 3.36Å; M1151-S1153 PolarHBondContact O-N 2.9Å; M1151-F1154 PolarHBondContact O-N 2.74Å; M1151-K1155 VanDerWaalsContact O-CB 3.31Å; M1151-K1155 WeakPolarHBondContact O-CB 3.46Å; M1151-K1155 PolarHBondContact O-N 2.96Å; M1151-M1201 HydrophobicContact CE-CB 4.18Å; M1151-M1201 HydrophobicContact CE-CE 4.03Å; M1151-M1201 HydrophobicContact CE-CG 3.96Å; M1151-M1201 HydrophobicContact CE-SD 4.34Å
1152	A	65.2	Low	64.3	Low	53 Å²	53	58.1 Å²	58.1	44%	0.438	34%	0.337	S	S	.	.	H	α-helix	trans	-61.1	-35.8	173.6	0	0	0	0	0	111.7	D1148 V1150 K1155 V1156	D1148-A1152 VanDerWaalsContact O-CB 3.26Å; D1148-A1152 WeakPolarHBondContact O-CB 3.43Å; D1148-A1152 PolarHBondContact O-N 2.81Å; V1150-A1152 VanDerWaalsContact C-N 3.34Å; V1150-A1152 PolarHBondContact O-N 2.89Å; A1152-K1155 PolarHBondContact O-N 3.07Å; A1152-V1156 WeakPolarHBondContact O-CG2 3.49Å; A1152-V1156 PolarHBondContact O-N 2.95Å; A1152-V1156 VanDerWaalsContact O-N 3.14Å
1153	S	68.9	Low	65.9	Low	9 Å²	9	57.3 Å²	57.3	6%	0.063	32%	0.323	C	S	.	.	H	α-helix	trans	-68.2	-44.7	177.5	-59.1	0	0	0	0	112.1	Q1149 V1150 M1151 K1155 V1156 L1157	Q1149-S1153 PolarHBondContact O-N 2.67Å; Q1149-S1153 VanDerWaalsContact O-N 3.1Å; Q1149-S1153 PolarHBondContact O-OG 2.58Å; V1150-S1153 WeakPolarHBondContact O-CA 3.11Å; V1150-S1153 WeakPolarHBondContact O-CB 3.4Å; V1150-S1153 PolarHBondContact O-N 2.9Å; V1150-S1153 VanDerWaalsContact O-N 3.07Å; M1151-S1153 PolarHBondContact O-N 2.9Å; S1153-K1155 VanDerWaalsContact C-N 3.34Å; S1153-K1155 PolarHBondContact O-N 2.89Å; S1153-V1156 WeakPolarHBondContact O-CB 3.33Å; S1153-V1156 PolarHBondContact O-N 2.95Å; S1153-L1157 VanDerWaalsContact O-CD1 3.29Å; S1153-L1157 WeakPolarHBondContact O-CD1 3.5Å; S1153-L1157 PolarHBondContact O-N 2.69Å
1154	F	73.2	Confident	67.9	Low	3 Å²	3	49 Å²	49	1%	0.013	28%	0.279	C	S	.	.	H	α-helix	trans	-67.1	-35	174.6	-84	-71.3	0	0	0	112.7	I583 V1150 M1151 V1156 L1157 A1158 L1169 M1185 Y1200 F1203	I583-F1154 HydrophobicContact CD1-CD1 3.82Å; I583-F1154 HydrophobicContact CD1-CD2 4Å; I583-F1154 HydrophobicContact CD1-CE1 3.93Å; I583-F1154 HydrophobicContact CD1-CE2 4.11Å; I583-F1154 HydrophobicContact CD1-CG 3.85Å; I583-F1154 HydrophobicContact CD1-CZ 4.08Å; I583-F1154 HydrophobicContact CG1-CD2 4.23Å; I583-F1154 HydrophobicContact CG1-CE1 4.47Å; I583-F1154 HydrophobicContact CG1-CE2 4Å; I583-F1154 HydrophobicContact CG1-CZ 4.12Å; I583-F1154 HydrophobicContact CG2-CE1 3.99Å; I583-F1154 HydrophobicContact CG2-CE2 4.19Å; I583-F1154 HydrophobicContact CG2-CZ 3.58Å; V1150-F1154 HydrophobicContact CG1-CD2 4.02Å; V1150-F1154 HydrophobicContact CG1-CE2 3.96Å; V1150-F1154 PolarHBondContact O-N 3.16Å; M1151-F1154 PolarHBondContact O-N 2.74Å; F1154-V1156 PolarHBondContact O-N 3.45Å; F1154-L1157 PolarHBondContact O-N 2.9Å; F1154-L1157 VanDerWaalsContact O-N 3.14Å; F1154-A1158 WeakPolarHBondContact O-CB 3.06Å; F1154-A1158 PolarHBondContact O-N 3.35Å; F1154-L1169 HydrophobicContact CE1-CD2 4.39Å; F1154-M1185 HydrophobicContact CD1-CE 4.11Å; F1154-M1185 HydrophobicContact CE1-CE 3.58Å; F1154-M1185 HydrophobicContact CZ-CE 3.85Å; F1154-Y1200 HydrophobicContact CB-CD1 4.41Å; F1154-Y1200 HydrophobicContact CB-CD2 3.27Å; F1154-Y1200 HydrophobicContact CB-CE2 3.82Å; F1154-Y1200 HydrophobicContact CB-CG 3.63Å; F1154-Y1200 HydrophobicContact CG-CD2 4.13Å; F1154-Y1200 HydrophobicContact CG-CG 4.22Å; F1154-F1203 HydrophobicContact CE2-CD1 4.23Å; F1154-F1203 HydrophobicContact CE2-CE1 4.25Å; F1154-F1203 HydrophobicContact CZ-CD1 4.26Å; F1154-F1203 HydrophobicContact CZ-CE1 4.05Å
1155	K	73.8	Confident	69.5	Low	82 Å²	82	47.1 Å²	47.1	36%	0.357	27%	0.265	S	S	.	.	H	α-helix	trans	-61.6	-33.9	174.6	-170.8	169.3	-179.2	178.3	0	112.3	M1151 A1152 S1153 G1159 D1160 Y1200	M1151-K1155 VanDerWaalsContact O-CB 3.31Å; M1151-K1155 WeakPolarHBondContact O-CB 3.46Å; M1151-K1155 PolarHBondContact O-N 2.96Å; A1152-K1155 PolarHBondContact O-N 3.07Å; S1153-K1155 VanDerWaalsContact C-N 3.34Å; S1153-K1155 PolarHBondContact O-N 2.89Å; K1155-G1159 PolarHBondContact O-N 3.48Å; K1155-D1160 PolarHBondContact O-N 2.81Å; K1155-Y1200 WeakPolarHBondContact CA-OH 3.47Å; K1155-Y1200 HydrophobicContact CB-CE2 4.27Å; K1155-Y1200 WeakPolarHBondContact CB-OH 3.47Å
1156	V	72.1	Confident	70.7	Confident	65 Å²	65	45 Å²	45	39%	0.394	26%	0.257	S	S	.	.	H	α-helix	trans	-67.4	-43.8	172.4	172.5	0	0	0	0	111.5	A1152 S1153 F1154 A1158 G1159	A1152-V1156 WeakPolarHBondContact O-CG2 3.49Å; A1152-V1156 PolarHBondContact O-N 2.95Å; A1152-V1156 VanDerWaalsContact O-N 3.14Å; S1153-V1156 WeakPolarHBondContact O-CB 3.33Å; S1153-V1156 PolarHBondContact O-N 2.95Å; F1154-V1156 PolarHBondContact O-N 3.45Å; V1156-A1158 VanDerWaalsContact C-N 3.32Å; V1156-A1158 PolarHBondContact O-N 3.02Å; V1156-G1159 PolarHBondContact O-N 3.4Å; V1156-G1159 VanDerWaalsContact O-N 3.16Å
1157	L	70.4	Confident	71.6	Confident	17 Å²	17	47.4 Å²	47.4	9%	0.089	27%	0.267	C	S	.	.	H	α-helix	trans	-64.1	-36	176.1	-86.9	99.1	0	0	0	112.9	A579 I583 S1153 F1154 G1159 I1164 E1172 L1173	A579-L1157 HydrophobicContact CB-CD1 3.99Å; I583-L1157 HydrophobicContact CD1-CD1 3.43Å; I583-L1157 VanDerWaalsContact CD1-CD1 3.43Å; S1153-L1157 VanDerWaalsContact O-CD1 3.29Å; S1153-L1157 WeakPolarHBondContact O-CD1 3.5Å; S1153-L1157 PolarHBondContact O-N 2.69Å; F1154-L1157 PolarHBondContact O-N 2.9Å; F1154-L1157 VanDerWaalsContact O-N 3.14Å; L1157-G1159 PolarHBondContact O-N 2.88Å; L1157-I1164 HydrophobicContact CB-CD1 3.95Å; L1157-E1172 HydrophobicContact CD2-CB 3.6Å; L1157-E1172 HydrophobicContact CD2-CG 4.25Å; L1157-L1173 HydrophobicContact CD2-CD2 4.48Å; L1157-L1173 HydrophobicContact CD2-CG 4.44Å
1158	A	71.6	Confident	72.5	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.008	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-6.9	177	0	0	0	0	0	113.6	F1154 V1156 K1161 Y1163 I1164 Y1200	F1154-A1158 WeakPolarHBondContact O-CB 3.06Å; F1154-A1158 PolarHBondContact O-N 3.35Å; V1156-A1158 VanDerWaalsContact C-N 3.32Å; V1156-A1158 PolarHBondContact O-N 3.02Å; A1158-K1161 HydrophobicContact CB-CB 4.31Å; A1158-K1161 WeakPolarHBondContact CB-O 3.46Å; A1158-K1161 WeakPolarHBondContact O-CB 3.24Å; A1158-K1161 WeakPolarHBondContact O-CD 3.19Å; A1158-K1161 VanDerWaalsContact O-CG 3.29Å; A1158-K1161 WeakPolarHBondContact O-CG 3.39Å; A1158-Y1163 WeakPolarHBondContact CB-O 3.32Å; A1158-I1164 HydrophobicContact CB-CB 4.31Å; A1158-I1164 HydrophobicContact CB-CG1 4.45Å; A1158-Y1200 HydrophobicContact CB-CE1 3.87Å
1159	G	69.4	Low	73.4	Confident	53 Å²	53	43.3 Å²	43.3	55%	0.546	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.5	47.9	-175.9	0	0	0	0	0	112.7	K1155 V1156 L1157 K1161	K1155-G1159 PolarHBondContact O-N 3.48Å; V1156-G1159 PolarHBondContact O-N 3.4Å; V1156-G1159 VanDerWaalsContact O-N 3.16Å; L1157-G1159 PolarHBondContact O-N 2.88Å; G1159-K1161 PolarHBondContact O-N 2.84Å
1160	D	70.9	Confident	74.1	Confident	123 Å²	123	45.5 Å²	45.5	66%	0.658	25%	0.249	S	C	*	.	S	Bend	trans	65.3	10	-176.7	-71.2	-44.1	0	0	0	115.9	K1155	K1155-D1160 PolarHBondContact O-N 2.81Å
1161	K	77.9	Confident	74.6	Confident	77 Å²	77	53.9 Å²	53.9	34%	0.335	28%	0.28	S	S	.	.			trans	-82.5	148	173	-56.2	172.7	-157.7	158.5	0	110.5	A1158 G1159 Y1163 E1168 Y1200	A1158-K1161 HydrophobicContact CB-CB 4.31Å; A1158-K1161 WeakPolarHBondContact CB-O 3.46Å; A1158-K1161 WeakPolarHBondContact O-CB 3.24Å; A1158-K1161 WeakPolarHBondContact O-CD 3.19Å; A1158-K1161 VanDerWaalsContact O-CG 3.29Å; A1158-K1161 WeakPolarHBondContact O-CG 3.39Å; G1159-K1161 PolarHBondContact O-N 2.84Å; K1161-Y1163 HydrophobicContact CB-CD1 4.45Å; K1161-Y1163 HydrophobicContact CB-CE1 4.37Å; K1161-Y1163 HydrophobicContact CD-CE2 4.06Å; K1161-Y1163 PolarHBondContact O-N 3.3Å; K1161-E1168 IonicContact NZ-OE1 3.72Å; K1161-E1168 PolarHBondContact NZ-OE1 3.19Å; K1161-Y1200 WeakPolarHBondContact O-CE1 3.43Å; K1161-Y1200 PolarHBondContact O-OH 2.79Å
1162	N	76.8	Confident	74.8	Confident	60 Å²	60	55.5 Å²	55.5	32%	0.321	29%	0.287	S	S	.	.	S	Bend	trans	-77.4	4.9	176.7	-61.7	-32.1	0	0	0	113.9	Y1188	N1162-Y1188 HydrophobicContact CB-CE2 4.29Å
1163	Y	80.3	Confident	75.1	Confident	37 Å²	37	53.4 Å²	53.4	15%	0.145	27%	0.268	C	S	.	.	S	Bend	trans	-140.7	155.6	178.9	64.8	-96.4	0	0	0	109.9	A1158 K1161 Y1188 D1192 V1194 A1197 L1198	A1158-Y1163 WeakPolarHBondContact CB-O 3.32Å; K1161-Y1163 HydrophobicContact CB-CD1 4.45Å; K1161-Y1163 HydrophobicContact CB-CE1 4.37Å; K1161-Y1163 HydrophobicContact CD-CE2 4.06Å; K1161-Y1163 PolarHBondContact O-N 3.3Å; Y1163-Y1188 HydrophobicContact CD1-CD1 4.28Å; Y1163-Y1188 HydrophobicContact CD1-CE1 4.24Å; Y1163-Y1188 HydrophobicContact CG-CD1 4.43Å; Y1163-D1192 WeakPolarHBondContact CE1-O 3.23Å; Y1163-V1194 HydrophobicContact CD2-CG2 4.11Å; Y1163-V1194 HydrophobicContact CE2-CG2 3.33Å; Y1163-A1197 HydrophobicContact CD2-CB 3.73Å; Y1163-A1197 HydrophobicContact CG-CB 3.97Å; Y1163-L1198 WeakPolarHBondContact CA-O 3.13Å
1164	I	83.3	Confident	75.3	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	146.2	177.7	-164.2	162.2	0	0	0	110.8	L1157 A1158 E1168 L1169 M1185 L1198 Y1200	L1157-I1164 HydrophobicContact CB-CD1 3.95Å; A1158-I1164 HydrophobicContact CB-CB 4.31Å; A1158-I1164 HydrophobicContact CB-CG1 4.45Å; I1164-E1168 HydrophobicContact CG1-CB 4.22Å; I1164-L1169 HydrophobicContact CD1-CD2 3.69Å; I1164-L1169 HydrophobicContact CD1-CG 3.97Å; I1164-L1169 HydrophobicContact CG1-CD2 4.39Å; I1164-L1169 HydrophobicContact CG1-CG 4.14Å; I1164-L1169 HydrophobicContact CG2-CD1 4.15Å; I1164-L1169 HydrophobicContact CG2-CG 4.36Å; I1164-M1185 HydrophobicContact CG2-SD 3.97Å; I1164-L1198 HydrophobicContact CG2-CB 4.05Å; I1164-L1198 PolarHBondContact N-O 3.03Å; I1164-L1198 WeakPolarHBondContact O-CB 3.32Å; I1164-L1198 PolarHBondContact O-N 2.83Å; I1164-Y1200 HydrophobicContact CB-CD1 4.13Å; I1164-Y1200 HydrophobicContact CG2-CD1 4.17Å
1165	L	83.1	Confident	75.2	Confident	47 Å²	47	60 Å²	60	25%	0.246	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	150.2	178	-65.7	169.4	0	0	0	111.9	D1167 E1168 L1169 V1194	L1165-D1167 PolarHBondContact O-N 3.46Å; L1165-E1168 HydrophobicContact CB-CB 4.37Å; L1165-E1168 HydrophobicContact CB-CG 4.02Å; L1165-E1168 PolarHBondContact N-OE2 3.06Å; L1165-E1168 WeakPolarHBondContact O-CB 3.45Å; L1165-E1168 PolarHBondContact O-N 3.35Å; L1165-L1169 PolarHBondContact O-N 2.75Å; L1165-L1169 VanDerWaalsContact O-N 3.1Å; L1165-V1194 HydrophobicContact CD2-CG2 4.09Å
1166	A	78.6	Confident	74.9	Confident	22 Å²	22	61.7 Å²	61.7	18%	0.182	32%	0.324	C	S	.	.	H	α-helix	trans	-56.9	-36.8	176.4	0	0	0	0	0	113	E1168 L1169 R1170 I1182	A1166-E1168 VanDerWaalsContact C-N 3.34Å; A1166-L1169 PolarHBondContact O-N 3.14Å; A1166-R1170 WeakPolarHBondContact O-CG 3.49Å; A1166-R1170 PolarHBondContact O-N 3.08Å; A1166-I1182 HydrophobicContact CB-CD1 3.79Å; A1166-I1182 HydrophobicContact CB-CG1 3.96Å
1167	D	76.1	Confident	74.9	Confident	119 Å²	119	59.6 Å²	59.6	64%	0.636	31%	0.31	S	S	*	.	H	α-helix	trans	-72.7	-27.5	177.9	-64.9	-23.1	0	0	0	112.7	L1165 R1170 R1171	L1165-D1167 PolarHBondContact O-N 3.46Å; D1167-R1170 IonicContact OD1-NH1 3.06Å; D1167-R1171 WeakPolarHBondContact O-CB 3.33Å; D1167-R1171 PolarHBondContact O-N 2.89Å
1168	E	75.8	Confident	75.2	Confident	32 Å²	32	58.8 Å²	58.8	15%	0.15	31%	0.306	C	S	.	.	H	α-helix	trans	-72	-41.2	174.3	-67.4	170.7	158.3	0	0	110.1	K1161 I1164 L1165 A1166 R1171 E1172	K1161-E1168 IonicContact NZ-OE1 3.72Å; K1161-E1168 PolarHBondContact NZ-OE1 3.19Å; I1164-E1168 HydrophobicContact CG1-CB 4.22Å; L1165-E1168 HydrophobicContact CB-CB 4.37Å; L1165-E1168 HydrophobicContact CB-CG 4.02Å; L1165-E1168 PolarHBondContact N-OE2 3.06Å; L1165-E1168 WeakPolarHBondContact O-CB 3.45Å; L1165-E1168 PolarHBondContact O-N 3.35Å; A1166-E1168 VanDerWaalsContact C-N 3.34Å; E1168-R1171 PolarHBondContact O-N 2.88Å; E1168-E1172 WeakPolarHBondContact O-CG 3.47Å; E1168-E1172 PolarHBondContact O-N 3.05Å
1169	L	77.1	Confident	75.5	Confident	0 Å²	0	63 Å²	63	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-62.4	-46	173.9	-72.6	166.8	0	0	0	112.2	F1154 I1164 L1165 A1166 R1171 E1172 L1173 A1178 C1181 I1182 M1185 L1198	F1154-L1169 HydrophobicContact CE1-CD2 4.39Å; I1164-L1169 HydrophobicContact CD1-CD2 3.69Å; I1164-L1169 HydrophobicContact CD1-CG 3.97Å; I1164-L1169 HydrophobicContact CG1-CD2 4.39Å; I1164-L1169 HydrophobicContact CG1-CG 4.14Å; I1164-L1169 HydrophobicContact CG2-CD1 4.15Å; I1164-L1169 HydrophobicContact CG2-CG 4.36Å; L1165-L1169 PolarHBondContact O-N 2.75Å; L1165-L1169 VanDerWaalsContact O-N 3.1Å; A1166-L1169 PolarHBondContact O-N 3.14Å; L1169-R1171 PolarHBondContact O-N 2.96Å; L1169-E1172 PolarHBondContact O-N 2.96Å; L1169-L1173 HydrophobicContact CD2-CD1 3.65Å; L1169-L1173 WeakPolarHBondContact O-CB 3.38Å; L1169-L1173 PolarHBondContact O-N 3.29Å; L1169-A1178 HydrophobicContact CB-CB 4.4Å; L1169-C1181 HydrophobicContact CD1-CB 4.02Å; L1169-C1181 HydrophobicContact CD2-CB 4.3Å; L1169-I1182 HydrophobicContact CD1-CG1 3.94Å; L1169-M1185 HydrophobicContact CD1-SD 4.11Å; L1169-L1198 HydrophobicContact CD1-CD1 3.88Å
1170	R	78.2	Confident	75.8	Confident	115 Å²	115	62 Å²	62	43%	0.434	31%	0.305	S	S	.	.	H	α-helix	trans	-64.9	-24.1	178.2	-73.5	177.7	-179.4	127.8	4.3	114.1	A1166 D1167 A1178 E1179 I1182	A1166-R1170 WeakPolarHBondContact O-CG 3.49Å; A1166-R1170 PolarHBondContact O-N 3.08Å; D1167-R1170 IonicContact OD1-NH1 3.06Å; R1170-A1178 HydrophobicContact CB-CB 4.43Å; R1170-A1178 HydrophobicContact CG-CB 4Å; R1170-E1179 IonicContact CZ-OE1 3.59Å; R1170-E1179 VanDerWaalsContact CZ-OE1 3.23Å; R1170-E1179 IonicContact NE-OE1 3.06Å; R1170-E1179 PolarHBondContact NE-OE1 3.15Å; R1170-E1179 IonicContact NH2-OE1 2.95Å; R1170-E1179 PolarHBondContact NH2-OE1 2.86Å; R1170-E1179 IonicContact NH2-OE2 3.89Å; R1170-E1179 PolarHBondContact NH2-OE2 3.07Å; R1170-I1182 HydrophobicContact CG-CD1 4.11Å
1171	R	75.6	Confident	76.1	Confident	179 Å²	179	56.1 Å²	56.1	68%	0.675	27%	0.274	S	S	*	.	H	α-helix	trans	-82.2	-37.3	179.8	-168.2	-178.8	75.5	-155.5	-2.2	112.2	D1167 E1168 L1169	D1167-R1171 WeakPolarHBondContact O-CB 3.33Å; D1167-R1171 PolarHBondContact O-N 2.89Å; E1168-R1171 PolarHBondContact O-N 2.88Å; L1169-R1171 PolarHBondContact O-N 2.96Å
1172	E	72.4	Confident	76.2	Confident	71 Å²	71	54.2 Å²	54.2	33%	0.332	27%	0.267	S	S	.	.	H	α-helix	trans	-103.4	-20.4	-170.2	-55.8	-62.6	157.4	0	0	113.6	L1157 E1168 L1169	L1157-E1172 HydrophobicContact CD2-CB 3.6Å; L1157-E1172 HydrophobicContact CD2-CG 4.25Å; E1168-E1172 WeakPolarHBondContact O-CG 3.47Å; E1168-E1172 PolarHBondContact O-N 3.05Å; L1169-E1172 PolarHBondContact O-N 2.96Å
1173	L	72.4	Confident	76.3	Confident	10 Å²	10	55.4 Å²	55.4	5%	0.052	29%	0.285	C	S	.	.	S	Bend	trans	-110	155.8	177.9	-61.9	174.5	0	0	0	111.9	A580 I583 L1157 L1169 A1178	A580-L1173 HydrophobicContact CB-CD2 4.17Å; I583-L1173 HydrophobicContact CG2-CD2 4.13Å; L1157-L1173 HydrophobicContact CD2-CD2 4.48Å; L1157-L1173 HydrophobicContact CD2-CG 4.44Å; L1169-L1173 HydrophobicContact CD2-CD1 3.65Å; L1169-L1173 WeakPolarHBondContact O-CB 3.38Å; L1169-L1173 PolarHBondContact O-N 3.29Å; L1173-A1178 HydrophobicContact CB-CB 4.26Å
1174	P	71.6	Confident	76	Confident	56 Å²	56	60.5 Å²	60.5	36%	0.364	30%	0.304	S	S	.	.			trans	-54.4	147.4	168.5	-23.4	33.7	0	0	0	111.7	C584 D1176 Q1177 A1178	C584-P1174 VanDerWaalsContact SG-CD 3.5Å; P1174-D1176 PolarHBondContact O-N 2.81Å; P1174-D1176 VanDerWaalsContact O-N 3.13Å; P1174-Q1177 PolarHBondContact O-N 3.45Å; P1174-A1178 PolarHBondContact O-N 3Å
1175	P	72.6	Confident	75.9	Confident	95 Å²	95	61 Å²	61	62%	0.617	31%	0.307	S	S	*	.	H	α-helix	trans	-53.7	-42.3	-170.8	-22.3	31	0	0	0	113	Q1177 A1178 E1179	P1175-Q1177 VanDerWaalsContact C-N 3.32Å; P1175-Q1177 PolarHBondContact O-N 3.12Å; P1175-A1178 PolarHBondContact O-N 2.96Å; P1175-E1179 WeakPolarHBondContact O-CG 3.49Å; P1175-E1179 PolarHBondContact O-N 3.22Å; P1175-E1179 VanDerWaalsContact O-N 3.09Å
1176	D	67.7	Low	75.7	Confident	116 Å²	116	61 Å²	61	62%	0.62	31%	0.314	S	S	*	.	H	α-helix	trans	-65.5	-37.3	-175.8	-22.4	-23.5	0	0	0	111.2	P1174 Y1180	P1174-D1176 PolarHBondContact O-N 2.81Å; P1174-D1176 VanDerWaalsContact O-N 3.13Å; D1176-Y1180 WeakPolarHBondContact O-CB 3.42Å; D1176-Y1180 PolarHBondContact O-N 3.31Å
1177	Q	72	Confident	75.8	Confident	21 Å²	21	64.7 Å²	64.7	10%	0.098	34%	0.336	C	S	.	.	H	α-helix	trans	-85.5	-32.7	-179.2	-64	-163.4	-7.8	0	0	112.7	C584 L587 P1174 P1175 Y1180 C1181	C584-Q1177 VanDerWaalsContact CB-OE1 3.3Å; C584-Q1177 PolarHBondContact O-NE2 3.14Å; C584-Q1177 VanDerWaalsContact O-NE2 3.14Å; C584-Q1177 PolarHBondContact SG-OE1 2.89Å; L587-Q1177 HydrophobicContact CD1-CB 4.27Å; P1174-Q1177 PolarHBondContact O-N 3.45Å; P1175-Q1177 VanDerWaalsContact C-N 3.32Å; P1175-Q1177 PolarHBondContact O-N 3.12Å; Q1177-Y1180 PolarHBondContact O-N 3.41Å; Q1177-C1181 PolarHBondContact O-N 3.49Å
1178	A	75.9	Confident	76	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-60.2	-47.7	171.6	0	0	0	0	0	110.8	L1169 R1170 L1173 P1174 P1175 Y1180 C1181 I1182	L1169-A1178 HydrophobicContact CB-CB 4.4Å; R1170-A1178 HydrophobicContact CB-CB 4.43Å; R1170-A1178 HydrophobicContact CG-CB 4Å; L1173-A1178 HydrophobicContact CB-CB 4.26Å; P1174-A1178 PolarHBondContact O-N 3Å; P1175-A1178 PolarHBondContact O-N 2.96Å; A1178-Y1180 VanDerWaalsContact C-N 3.35Å; A1178-Y1180 PolarHBondContact O-N 2.85Å; A1178-C1181 PolarHBondContact O-N 2.8Å; A1178-I1182 VanDerWaalsContact O-CD1 3.32Å; A1178-I1182 WeakPolarHBondContact O-CD1 3.46Å; A1178-I1182 WeakPolarHBondContact O-CG1 3.47Å; A1178-I1182 PolarHBondContact O-N 2.93Å
1179	E	78.6	Confident	75.7	Confident	90 Å²	90	66.4 Å²	66.4	42%	0.421	35%	0.348	S	S	.	.	H	α-helix	trans	-66.4	-35.4	177.5	-67.5	-59.5	145.9	0	0	112.3	R1170 P1175 I1182 A1183	R1170-E1179 IonicContact CZ-OE1 3.59Å; R1170-E1179 VanDerWaalsContact CZ-OE1 3.23Å; R1170-E1179 IonicContact NE-OE1 3.06Å; R1170-E1179 PolarHBondContact NE-OE1 3.15Å; R1170-E1179 IonicContact NH2-OE1 2.95Å; R1170-E1179 PolarHBondContact NH2-OE1 2.86Å; R1170-E1179 IonicContact NH2-OE2 3.89Å; R1170-E1179 PolarHBondContact NH2-OE2 3.07Å; P1175-E1179 WeakPolarHBondContact O-CG 3.49Å; P1175-E1179 PolarHBondContact O-N 3.22Å; P1175-E1179 VanDerWaalsContact O-N 3.09Å; E1179-I1182 PolarHBondContact O-N 3.2Å; E1179-A1183 WeakPolarHBondContact O-CB 3.31Å; E1179-A1183 PolarHBondContact O-N 2.89Å
1180	Y	75.1	Confident	75.5	Confident	31 Å²	31	67.5 Å²	67.5	12%	0.122	36%	0.36	C	S	.	.	H	α-helix	trans	-61.1	-47.5	173.2	-179.1	-91.4	0	0	0	112.5	L587 N590 E594 D1176 Q1177 A1178 A1183 R1184 F1203	L587-Y1180 HydrophobicContact CD2-CD1 3.76Å; L587-Y1180 HydrophobicContact CD2-CE1 3.75Å; N590-Y1180 PolarHBondContact ND2-OH 3.4Å; E594-Y1180 PolarHBondContact OE1-OH 3.29Å; E594-Y1180 VanDerWaalsContact OE2-CE2 3.25Å; E594-Y1180 WeakPolarHBondContact OE2-CE2 3.39Å; E594-Y1180 PolarHBondContact OE2-OH 3.36Å; D1176-Y1180 WeakPolarHBondContact O-CB 3.42Å; D1176-Y1180 PolarHBondContact O-N 3.31Å; Q1177-Y1180 PolarHBondContact O-N 3.41Å; A1178-Y1180 VanDerWaalsContact C-N 3.35Å; A1178-Y1180 PolarHBondContact O-N 2.85Å; Y1180-A1183 PolarHBondContact O-N 2.82Å; Y1180-R1184 PolarHBondContact O-N 2.73Å; Y1180-F1203 HydrophobicContact CE1-CZ 4.33Å
1181	C	76.4	Confident	75	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-62.9	-42	176.1	-73.7	0	0	0	0	112	L587 L1169 Q1177 A1178 A1183 R1184 M1185	L587-C1181 VanDerWaalsContact CD1-SG 3.54Å; L1169-C1181 HydrophobicContact CD1-CB 4.02Å; L1169-C1181 HydrophobicContact CD2-CB 4.3Å; Q1177-C1181 PolarHBondContact O-N 3.49Å; A1178-C1181 PolarHBondContact O-N 2.8Å; C1181-A1183 VanDerWaalsContact C-N 3.33Å; C1181-A1183 PolarHBondContact O-N 3Å; C1181-R1184 PolarHBondContact O-N 3.01Å; C1181-M1185 HydrophobicContact CB-CE 4.11Å; C1181-M1185 HydrophobicContact CB-SD 4.3Å; C1181-M1185 WeakPolarHBondContact O-CB 3.44Å; C1181-M1185 VanDerWaalsContact O-CG 3.24Å; C1181-M1185 WeakPolarHBondContact O-CG 3.44Å; C1181-M1185 PolarHBondContact O-N 2.81Å
1182	I	81.6	Confident	74.7	Confident	37 Å²	37	64.4 Å²	64.4	19%	0.19	37%	0.372	C	S	.	.	H	α-helix	trans	-63.7	-37.9	-179.9	-67.9	161.8	0	0	0	111.7	A1166 L1169 R1170 A1178 E1179 R1184 L1198	A1166-I1182 HydrophobicContact CB-CD1 3.79Å; A1166-I1182 HydrophobicContact CB-CG1 3.96Å; L1169-I1182 HydrophobicContact CD1-CG1 3.94Å; R1170-I1182 HydrophobicContact CG-CD1 4.11Å; A1178-I1182 VanDerWaalsContact O-CD1 3.32Å; A1178-I1182 WeakPolarHBondContact O-CD1 3.46Å; A1178-I1182 WeakPolarHBondContact O-CG1 3.47Å; A1178-I1182 PolarHBondContact O-N 2.93Å; E1179-I1182 PolarHBondContact O-N 3.2Å; I1182-R1184 VanDerWaalsContact C-N 3.34Å; I1182-L1198 HydrophobicContact CB-CD1 4.44Å; I1182-L1198 HydrophobicContact CG1-CD1 4.08Å
1183	A	77.8	Confident	74.3	Confident	86 Å²	86	62.9 Å²	62.9	71%	0.711	38%	0.375	S	S	*	.	H	α-helix	trans	-71.9	-26.1	179.8	0	0	0	0	0	113.7	E1179 Y1180 C1181	E1179-A1183 WeakPolarHBondContact O-CB 3.31Å; E1179-A1183 PolarHBondContact O-N 2.89Å; Y1180-A1183 PolarHBondContact O-N 2.82Å; C1181-A1183 VanDerWaalsContact C-N 3.33Å; C1181-A1183 PolarHBondContact O-N 3Å
1184	R	74.1	Confident	74.4	Confident	143 Å²	143	65.3 Å²	65.3	54%	0.54	39%	0.391	S	S	.	.	H	α-helix	trans	-108.6	-20.8	-170.9	-72.4	-78.9	-173.5	120.1	7.7	114.5	E594 Y1180 C1181 I1182 F1203	E594-R1184 VanDerWaalsContact CD-NH2 3.32Å; E594-R1184 IonicContact OE1-CZ 2.8Å; E594-R1184 IonicContact OE1-NH1 2.62Å; E594-R1184 PolarHBondContact OE1-NH1 2.86Å; E594-R1184 IonicContact OE1-NH2 3.78Å; E594-R1184 PolarHBondContact OE1-NH2 3.3Å; E594-R1184 IonicContact OE2-CZ 2.77Å; E594-R1184 IonicContact OE2-NH2 2.74Å; E594-R1184 PolarHBondContact OE2-NH2 2.89Å; Y1180-R1184 PolarHBondContact O-N 2.73Å; C1181-R1184 PolarHBondContact O-N 3.01Å; I1182-R1184 VanDerWaalsContact C-N 3.34Å; R1184-F1203 HydrophobicContact CB-CD2 4.26Å; R1184-F1203 HydrophobicContact CB-CE2 3.82Å
1185	M	81.9	Confident	74.3	Confident	10 Å²	10	69 Å²	69	5%	0.049	41%	0.414	C	S	.	.	S	Bend	trans	-75.8	134.2	176.5	-73.3	177.7	174.2	0	0	111.1	F1154 I1164 L1169 C1181 L1198 F1203	F1154-M1185 HydrophobicContact CD1-CE 4.11Å; F1154-M1185 HydrophobicContact CE1-CE 3.58Å; F1154-M1185 HydrophobicContact CZ-CE 3.85Å; I1164-M1185 HydrophobicContact CG2-SD 3.97Å; L1169-M1185 HydrophobicContact CD1-SD 4.11Å; C1181-M1185 HydrophobicContact CB-CE 4.11Å; C1181-M1185 HydrophobicContact CB-SD 4.3Å; C1181-M1185 WeakPolarHBondContact O-CB 3.44Å; C1181-M1185 VanDerWaalsContact O-CG 3.24Å; C1181-M1185 WeakPolarHBondContact O-CG 3.44Å; C1181-M1185 PolarHBondContact O-N 2.81Å; M1185-L1198 HydrophobicContact CB-CB 3.89Å; M1185-L1198 HydrophobicContact CB-CD1 4.37Å; M1185-L1198 HydrophobicContact CB-CD2 4.13Å; M1185-L1198 HydrophobicContact CB-CG 4.35Å; M1185-L1198 HydrophobicContact SD-CB 4.09Å; M1185-L1198 HydrophobicContact SD-CD1 4.43Å; M1185-F1203 HydrophobicContact CE-CB 4.37Å; M1185-F1203 HydrophobicContact CE-CD1 3.56Å; M1185-F1203 HydrophobicContact CE-CE1 4.02Å; M1185-F1203 HydrophobicContact CE-CG 4.02Å; M1185-F1203 HydrophobicContact CG-CB 3.87Å; M1185-F1203 HydrophobicContact CG-CD1 4.31Å; M1185-F1203 HydrophobicContact CG-CD2 4.05Å; M1185-F1203 HydrophobicContact CG-CG 3.81Å
1186	A	79.1	Confident	74.2	Confident	48 Å²	48	67.1 Å²	67.1	40%	0.397	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	150.1	174	0	0	0	0	0	110.8	Y1188 D1199	A1186-Y1188 PolarHBondContact O-N 2.84Å; A1186-D1199 PolarHBondContact O-N 3.17Å
1187	P	79.3	Confident	74.9	Confident	99 Å²	99	61.9 Å²	61.9	64%	0.643	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.3	135	171.7	24.4	-30.3	0	0	0	110.7	T1189 A1197	P1187-T1189 PolarHBondContact O-N 2.92Å; P1187-A1197 WeakPolarHBondContact CA-O 3.27Å
1188	Y	80.2	Confident	75.4	Confident	47 Å²	47	61.9 Å²	61.9	18%	0.184	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-70.9	126.2	-178.9	-176.6	-102.6	0	0	0	111.3	N1162 Y1163 A1186 G1190 A1197 D1199	N1162-Y1188 HydrophobicContact CB-CE2 4.29Å; Y1163-Y1188 HydrophobicContact CD1-CD1 4.28Å; Y1163-Y1188 HydrophobicContact CD1-CE1 4.24Å; Y1163-Y1188 HydrophobicContact CG-CD1 4.43Å; A1186-Y1188 PolarHBondContact O-N 2.84Å; Y1188-G1190 VanDerWaalsContact CE1-CA 3.44Å; Y1188-A1197 PolarHBondContact N-O 3.38Å; Y1188-D1199 HydrophobicContact CD2-CB 4.11Å
1189	T	70.6	Confident	75.8	Confident	141 Å²	141	63.4 Å²	63.4	87%	0.865	39%	0.394	S	S	*	.			trans	-106	5.5	-174.7	52.7	0	0	0	0	114.3	P1187	P1187-T1189 PolarHBondContact O-N 2.92Å
1190	G	72.8	Confident	75.8	Confident	23 Å²	23	59.1 Å²	59.1	24%	0.237	37%	0.374	C	S	.	.	S	Bend	trans	-72.3	163	-179.7	0	0	0	0	0	114.3	Y1188 D1192 G1193	Y1188-G1190 VanDerWaalsContact CE1-CA 3.44Å; G1190-D1192 PolarHBondContact O-N 2.68Å; G1190-G1193 PolarHBondContact O-N 3.16Å; G1190-G1193 VanDerWaalsContact O-N 3.16Å
1191	P	66.4	Low	75.8	Confident	133 Å²	133	60.7 Å²	60.7	86%	0.864	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-13.6	-176.3	23	-30.7	0	0	0	114.6
1192	D	71.1	Confident	75.7	Confident	95 Å²	95	63.1 Å²	63.1	51%	0.508	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	2.2	-175.8	-34.7	-24	0	0	0	112.6	Y1163 G1190	Y1163-D1192 WeakPolarHBondContact CE1-O 3.23Å; G1190-D1192 PolarHBondContact O-N 2.68Å
1193	G	64.1	Low	75.4	Confident	39 Å²	39	62.2 Å²	62.2	40%	0.402	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-71.3	130.7	-170.2	0	0	0	0	0	114.3	G1190	G1190-G1193 PolarHBondContact O-N 3.16Å; G1190-G1193 VanDerWaalsContact O-N 3.16Å
1194	V	73.6	Confident	75	Confident	62 Å²	62	58.1 Å²	58.1	38%	0.376	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-95.8	157	169.2	-86.1	0	0	0	0	111.3	Y1163 L1165 G1196 A1197	Y1163-V1194 HydrophobicContact CD2-CG2 4.11Å; Y1163-V1194 HydrophobicContact CE2-CG2 3.33Å; L1165-V1194 HydrophobicContact CD2-CG2 4.09Å; V1194-G1196 PolarHBondContact O-N 2.76Å; V1194-A1197 HydrophobicContact CG2-CB 4.35Å; V1194-A1197 WeakPolarHBondContact O-CB 3.3Å; V1194-A1197 PolarHBondContact O-N 2.99Å
1195	P	68.8	Low	74.8	Confident	132 Å²	132	53.4 Å²	53.4	86%	0.857	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	123.7	178.2	-22.5	32.7	0	0	0	111.6
1196	G	72.1	Confident	74	Confident	57 Å²	57	56.6 Å²	56.6	59%	0.588	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.7	11	-177.7	0	0	0	0	0	115.5	V1194	V1194-G1196 PolarHBondContact O-N 2.76Å
1197	A	80.6	Confident	73.3	Confident	6 Å²	6	55.1 Å²	55.1	5%	0.05	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	130.8	173.8	0	0	0	0	0	112.3	Y1163 P1187 Y1188 V1194	Y1163-A1197 HydrophobicContact CD2-CB 3.73Å; Y1163-A1197 HydrophobicContact CG-CB 3.97Å; P1187-A1197 WeakPolarHBondContact CA-O 3.27Å; Y1188-A1197 PolarHBondContact N-O 3.38Å; V1194-A1197 HydrophobicContact CG2-CB 4.35Å; V1194-A1197 WeakPolarHBondContact O-CB 3.3Å; V1194-A1197 PolarHBondContact O-N 2.99Å
1198	L	83.1	Confident	72.4	Confident	20 Å²	20	51.7 Å²	51.7	11%	0.105	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	142.1	178.1	-62.9	170.9	0	0	0	110.3	Y1163 I1164 L1169 I1182 M1185	Y1163-L1198 WeakPolarHBondContact CA-O 3.13Å; I1164-L1198 HydrophobicContact CG2-CB 4.05Å; I1164-L1198 PolarHBondContact N-O 3.03Å; I1164-L1198 WeakPolarHBondContact O-CB 3.32Å; I1164-L1198 PolarHBondContact O-N 2.83Å; L1169-L1198 HydrophobicContact CD1-CD1 3.88Å; I1182-L1198 HydrophobicContact CB-CD1 4.44Å; I1182-L1198 HydrophobicContact CG1-CD1 4.08Å; M1185-L1198 HydrophobicContact CB-CB 3.89Å; M1185-L1198 HydrophobicContact CB-CD1 4.37Å; M1185-L1198 HydrophobicContact CB-CD2 4.13Å; M1185-L1198 HydrophobicContact CB-CG 4.35Å; M1185-L1198 HydrophobicContact SD-CB 4.09Å; M1185-L1198 HydrophobicContact SD-CD1 4.43Å
1199	D	83.6	Confident	71	Confident	32 Å²	32	51 Å²	51	17%	0.171	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	105.5	178.7	179.6	14.9	0	0	0	111.1	A1186 Y1188 M1201 S1202	A1186-D1199 PolarHBondContact O-N 3.17Å; Y1188-D1199 HydrophobicContact CD2-CB 4.11Å; D1199-M1201 WeakPolarHBondContact OD1-CB 3.24Å; D1199-M1201 PolarHBondContact OD1-N 2.76Å; D1199-S1202 PolarHBondContact O-OG 2.61Å; D1199-S1202 PolarHBondContact OD1-N 2.91Å; D1199-S1202 VanDerWaalsContact OD2-CB 3.25Å; D1199-S1202 WeakPolarHBondContact OD2-CB 3.4Å; D1199-S1202 PolarHBondContact OD2-OG 2.9Å
1200	Y	80.1	Confident	69.7	Low	1 Å²	1	50.9 Å²	50.9	0%	0.004	33%	0.333	C	S	.	.	H	α-helix	trans	-85.3	-13.2	177.9	66.8	-99.7	0	0	0	113.1	F1154 K1155 A1158 K1161 I1164 S1204	F1154-Y1200 HydrophobicContact CB-CD1 4.41Å; F1154-Y1200 HydrophobicContact CB-CD2 3.27Å; F1154-Y1200 HydrophobicContact CB-CE2 3.82Å; F1154-Y1200 HydrophobicContact CB-CG 3.63Å; F1154-Y1200 HydrophobicContact CG-CD2 4.13Å; F1154-Y1200 HydrophobicContact CG-CG 4.22Å; K1155-Y1200 WeakPolarHBondContact CA-OH 3.47Å; K1155-Y1200 HydrophobicContact CB-CE2 4.27Å; K1155-Y1200 WeakPolarHBondContact CB-OH 3.47Å; A1158-Y1200 HydrophobicContact CB-CE1 3.87Å; K1161-Y1200 WeakPolarHBondContact O-CE1 3.43Å; K1161-Y1200 PolarHBondContact O-OH 2.79Å; I1164-Y1200 HydrophobicContact CB-CD1 4.13Å; I1164-Y1200 HydrophobicContact CG2-CD1 4.17Å; Y1200-S1204 WeakPolarHBondContact O-CB 3.4Å; Y1200-S1204 PolarHBondContact O-N 2.96Å; Y1200-S1204 PolarHBondContact O-OG 3.43Å
1201	M	75.3	Confident	67.7	Low	64 Å²	64	54.4 Å²	54.4	32%	0.315	35%	0.354	S	S	.	.	H	α-helix	trans	-72.1	-53.3	179.3	-69.5	-170.8	147	0	0	109.9	M1151 D1199 F1203 S1204 T1205	M1151-M1201 HydrophobicContact CE-CB 4.18Å; M1151-M1201 HydrophobicContact CE-CE 4.03Å; M1151-M1201 HydrophobicContact CE-CG 3.96Å; M1151-M1201 HydrophobicContact CE-SD 4.34Å; D1199-M1201 WeakPolarHBondContact OD1-CB 3.24Å; D1199-M1201 PolarHBondContact OD1-N 2.76Å; M1201-F1203 PolarHBondContact O-N 2.88Å; M1201-S1204 PolarHBondContact O-N 2.72Å; M1201-S1204 VanDerWaalsContact O-N 3.15Å; M1201-T1205 PolarHBondContact O-N 3.4Å; M1201-T1205 PolarHBondContact O-OG1 3.1Å; M1201-T1205 VanDerWaalsContact O-OG1 3.04Å
1202	S	73.4	Confident	65.8	Low	50 Å²	50	56.3 Å²	56.3	35%	0.35	36%	0.357	S	S	.	.	H	α-helix	trans	-59.1	-37	175.4	53	0	0	0	0	112.5	D1199 A1206	D1199-S1202 PolarHBondContact O-OG 2.61Å; D1199-S1202 PolarHBondContact OD1-N 2.91Å; D1199-S1202 VanDerWaalsContact OD2-CB 3.25Å; D1199-S1202 WeakPolarHBondContact OD2-CB 3.4Å; D1199-S1202 PolarHBondContact OD2-OG 2.9Å; S1202-A1206 VanDerWaalsContact O-CB 3.26Å; S1202-A1206 WeakPolarHBondContact O-CB 3.3Å; S1202-A1206 PolarHBondContact O-N 3.03Å
1203	F	76.3	Confident	63.7	Low	18 Å²	18	62.9 Å²	62.9	8%	0.079	39%	0.391	C	S	.	.	H	α-helix	trans	-63.8	-43.7	175	178.8	-103	0	0	0	113	L587 F1154 Y1180 R1184 M1185 M1201 A1206 L1207	L587-F1203 HydrophobicContact CD2-CE1 4.25Å; L587-F1203 HydrophobicContact CD2-CZ 3.98Å; F1154-F1203 HydrophobicContact CE2-CD1 4.23Å; F1154-F1203 HydrophobicContact CE2-CE1 4.25Å; F1154-F1203 HydrophobicContact CZ-CD1 4.26Å; F1154-F1203 HydrophobicContact CZ-CE1 4.05Å; Y1180-F1203 HydrophobicContact CE1-CZ 4.33Å; R1184-F1203 HydrophobicContact CB-CD2 4.26Å; R1184-F1203 HydrophobicContact CB-CE2 3.82Å; M1185-F1203 HydrophobicContact CE-CB 4.37Å; M1185-F1203 HydrophobicContact CE-CD1 3.56Å; M1185-F1203 HydrophobicContact CE-CE1 4.02Å; M1185-F1203 HydrophobicContact CE-CG 4.02Å; M1185-F1203 HydrophobicContact CG-CB 3.87Å; M1185-F1203 HydrophobicContact CG-CD1 4.31Å; M1185-F1203 HydrophobicContact CG-CD2 4.05Å; M1185-F1203 HydrophobicContact CG-CG 3.81Å; M1201-F1203 PolarHBondContact O-N 2.88Å; F1203-A1206 PolarHBondContact O-N 2.93Å; F1203-L1207 HydrophobicContact CE1-CD1 3.93Å; F1203-L1207 HydrophobicContact CE2-CD1 4.03Å; F1203-L1207 HydrophobicContact CZ-CD1 3.64Å; F1203-L1207 PolarHBondContact O-N 3.44Å; F1203-L1207 VanDerWaalsContact O-N 3.08Å
1204	S	69.3	Low	63.7	Low	0 Å²	0	64.1 Å²	64.1	0%	0	39%	0.39	C	S	.	.	H	α-helix	trans	-69.5	-39.6	-179.7	-59.1	0	0	0	0	112	Y1200 M1201 L1207	Y1200-S1204 WeakPolarHBondContact O-CB 3.4Å; Y1200-S1204 PolarHBondContact O-N 2.96Å; Y1200-S1204 PolarHBondContact O-OG 3.43Å; M1201-S1204 PolarHBondContact O-N 2.72Å; M1201-S1204 VanDerWaalsContact O-N 3.15Å; S1204-L1207 WeakPolarHBondContact O-CB 3.46Å; S1204-L1207 PolarHBondContact O-N 3.05Å
1205	T	68.4	Low	63.2	Low	44 Å²	44	64.2 Å²	64.2	27%	0.27	39%	0.391	S	S	.	.	H	α-helix	trans	-65.8	-41.1	175	-50.1	0	0	0	0	111.6	M1201 L1207 Y1208 G1209 E1210	M1201-T1205 PolarHBondContact O-N 3.4Å; M1201-T1205 PolarHBondContact O-OG1 3.1Å; M1201-T1205 VanDerWaalsContact O-OG1 3.04Å; T1205-L1207 VanDerWaalsContact C-N 3.27Å; T1205-L1207 PolarHBondContact O-N 2.9Å; T1205-Y1208 PolarHBondContact O-N 2.71Å; T1205-G1209 PolarHBondContact O-N 2.78Å; T1205-E1210 WeakPolarHBondContact CG2-O 3.26Å
1206	A	66.4	Low	62.9	Low	77 Å²	77	60.4 Å²	60.4	64%	0.636	37%	0.365	S	S	*	.	H	α-helix	trans	-64.2	-29.8	175	0	0	0	0	0	113.1	S1202 F1203	S1202-A1206 VanDerWaalsContact O-CB 3.26Å; S1202-A1206 WeakPolarHBondContact O-CB 3.3Å; S1202-A1206 PolarHBondContact O-N 3.03Å; F1203-A1206 PolarHBondContact O-N 2.93Å
1207	L	63.8	Low	62.3	Low	18 Å²	18	60.6 Å²	60.6	9%	0.094	35%	0.352	C	S	.	.	H	α-helix	trans	-70.6	-29.5	-179.6	-136.6	94.6	0	0	0	113.7	V586 R671 F1203 S1204 T1205	V586-L1207 HydrophobicContact CG1-CD2 3.43Å; V586-L1207 VanDerWaalsContact CG1-CD2 3.43Å; R671-L1207 WeakPolarHBondContact CD-O 3.49Å; R671-L1207 PolarHBondContact NE-O 2.99Å; F1203-L1207 HydrophobicContact CE1-CD1 3.93Å; F1203-L1207 HydrophobicContact CE2-CD1 4.03Å; F1203-L1207 HydrophobicContact CZ-CD1 3.64Å; F1203-L1207 PolarHBondContact O-N 3.44Å; F1203-L1207 VanDerWaalsContact O-N 3.08Å; S1204-L1207 WeakPolarHBondContact O-CB 3.46Å; S1204-L1207 PolarHBondContact O-N 3.05Å; T1205-L1207 VanDerWaalsContact C-N 3.27Å; T1205-L1207 PolarHBondContact O-N 2.9Å
1208	Y	60.8	Low	61.2	Low	27 Å²	27	64 Å²	64	11%	0.106	37%	0.371	C	S	.	.	H	α-helix	trans	-111.8	-6.4	-176.1	-74	-88	0	0	0	113.5	V586 A1147 V1150 T1205 E1210	V586-Y1208 HydrophobicContact CG1-CE2 4.29Å; V586-Y1208 WeakPolarHBondContact CG1-OH 3.46Å; A1147-Y1208 HydrophobicContact CB-CD2 4.15Å; A1147-Y1208 HydrophobicContact CB-CG 4.08Å; V1150-Y1208 HydrophobicContact CB-CE2 4.11Å; V1150-Y1208 HydrophobicContact CG1-CE2 4.42Å; V1150-Y1208 HydrophobicContact CG2-CE2 3.71Å; V1150-Y1208 WeakPolarHBondContact CG2-OH 3.36Å; T1205-Y1208 PolarHBondContact O-N 2.71Å; Y1208-E1210 VanDerWaalsContact C-N 3.35Å; Y1208-E1210 PolarHBondContact O-N 3.36Å
1209	G	50.5	Low	59.7	Low	33 Å²	33	66.9 Å²	66.9	34%	0.34	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.2	14.3	169.8	0	0	0	0	0	115.7	T1205 S1211	T1205-G1209 PolarHBondContact O-N 2.78Å; G1209-S1211 PolarHBondContact O-N 2.9Å
1210	E	42.7	Very low	58	Low	137 Å²	137	69.4 Å²	69.4	64%	0.64	40%	0.404	S	S	*	.			trans	-79.9	62.3	167.2	-72.7	-172.3	172	0	0	110.2	T1205 Y1208	T1205-E1210 WeakPolarHBondContact CG2-O 3.26Å; Y1208-E1210 VanDerWaalsContact C-N 3.35Å; Y1208-E1210 PolarHBondContact O-N 3.36Å
1211	S	32.1	Very low	56.3	Low	97 Å²	97	74.7 Å²	74.7	68%	0.678	44%	0.435	S	S	*	.			trans	-96.2	74.7	164.1	63.9	0	0	0	0	108.7	G1209 L1213	G1209-S1211 PolarHBondContact O-N 2.9Å; S1211-L1213 PolarHBondContact O-N 2.75Å
1212	D	25.3	Very low	54.8	Low	173 Å²	173	75.6 Å²	75.6	93%	0.925	45%	0.445	S	S	*	.			trans	-79.8	96.4	153.5	-95.9	-10.9	0	0	0	107.5
1213	L	27.9	Very low	53.1	Low	233 Å²	233	77.9 Å²	77.9	100%	1.22	45%	0.454	S	S	*	.			trans	-105.6	0	146.2	-135.8	170	0	0	0	107.1	S1211	S1211-L1213 PolarHBondContact O-N 2.75Å

Retrieved 1,213 of 1,213 residues in 294.2 ms (Link to these results)

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