X5LV54_CAEEL Loading...

Afadin

AlphaFold DB , UniProt , Accession X5LV54, Species CAEEL (Caenorhabditis elegans), Gene afd-1, Length 1,224 aa.

						>X5LV54_CAEEL|X5LV54|afd-1
MSPLTSLPPQIHNLPVLIVMNNDGHLSTHRITLHEGVTEVGSDSQMSNFSQHNIYLDGPDIRGRHAAIAFMEGVVTLTPSTRDAYLEVNGHQLMQTEILRDGDHIRIGADHSFKFSTSSSQANQINSTNISNSNQRHFQQQTFYPEMADSRASTARCAPSDYCSLPQQNDYYPPSMSGSSVSSSRQEDLMMHSNNNILPPYSTKSAQEPLQLPLSIQIGDYNVWDFLAEVMSNRAATSSEMSTFRLSPAYSLYLALRSFHTHNKPYSVQFFSRIESNFKQIAQECSSKDDLIFWLANASEFNHLVERDTELKASRYGKISVEIERIFRRLVAVLQSVIRPAARALLDIHLNDHDATGDVIHLLDTTMRQARICGLNAALTIQLCGHLLHMVNAFVFNSLVSVNLPAAQLNTRLGKCLQYRIESIHRFCERMGVEMAAECHLDRSRQAANLLATQKNDVAALGSTCYKLNSLQVVHILSGFEPDDGEIPCDDDVVDRICRLAEKQADKLTLEDGQRVTLEESDELNLPFLIPQDGYFVEQFRTVPDGLWQYLQQLQHRRLCHTVSLTPAPPAAMTHSMHAMHIGASDAHYHQHQHQQQQNPIVRSVSQTTLTSIPTTQFGDSFGSAVSDTISKVTLRKNGGGIGLSIVAAQGVGDRQMGIYVKKVVEGTPAAHDGRLETGDQLLSVNGHSLIGISQEDAARLMTQSGNEVHFDVRKRAAHRNGLSNWLGSQTPTTSNFIAPSPSTVPPPSYSHVGRTPSYDGQPPPSYNHRNGGASGAGGSSGRNSAFVAPLSNSSSNASSSHMQQHYAHHNMMHNGNLSAAPGAPAGDPKHYRSSSASDLQHDPNASFSQSSMTGSARSSVFDKLPSHYRHSTRPTVIQPTRPSAQSPSALRKAAAASPVSNLYRPTSASNLFAPPRNSGGLVGYSSNAARESTQDIHRAEPAIVIRPVDLNMPKATPPASIRGAVPTAITQALQLQPNGGGAVLRQVRPASGLRERLQDADVRNLEKTNTALMSYEAVNEELDRLDAKQNTMTIDEQRRYRELLNVVAEQSRARKLLSEIRSPPTSYQEREIPIHVQKEQQQHRRETVIDDIPHSSSSVENVSPVSPPESRKVQFIDEVVQYQTPTSGANHAFFDDVPVLDSPGIVGTNEIYRDPRQRRLNELQDRNRSSENGAADGAKLGFRDKQRLFARQIGEDTAPRQRMNESSAQRLIETDIAATPQKP
					

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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	23.4	Very low	29.8	Very low	236 Å²	236	147.1 Å²	147.1	100%	1.163	84%	0.843	S	S	*	*				0	128.9	0	-65.8	169.2	81	0	0	107.3
2	S	25.2	Very low	31	Very low	113 Å²	113	148.4 Å²	148.4	79%	0.79	84%	0.836	S	S	*	*			trans	61	161.7	165.3	-55	0	0	0	0	118.2
3	P	32.7	Very low	33.5	Very low	125 Å²	125	145.3 Å²	145.3	81%	0.812	82%	0.816	S	S	*	*			cis	-100.9	168.4	-8.9	38.6	-31.2	0	0	0	113.3
4	L	28.1	Very low	36.7	Very low	168 Å²	168	140 Å²	140	88%	0.88	78%	0.784	S	S	*	*			trans	-84.3	148.4	160.6	-63.7	91.6	0	0	0	109.5
5	T	29	Very low	40	Very low	145 Å²	145	131.1 Å²	131.1	89%	0.89	73%	0.734	S	S	*	*			trans	-109.6	133.8	153	24	0	0	0	0	109
6	S	27.1	Very low	43	Very low	115 Å²	115	123.5 Å²	123.5	80%	0.804	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-81.7	129.3	-171.9	50.7	0	0	0	0	112.7
7	L	28.1	Very low	45.8	Very low	162 Å²	162	116.4 Å²	116.4	85%	0.848	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-65.4	142.5	153.7	-75.9	162.6	0	0	0	109.4
8	P	30.8	Very low	48.1	Very low	114 Å²	114	110.6 Å²	110.6	74%	0.74	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-72.9	142.1	175.6	30.5	-34.2	0	0	0	111.1
9	P	37.1	Very low	50.1	Low	116 Å²	116	106.8 Å²	106.8	75%	0.753	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-88.2	132.4	174.2	33.4	-31.8	0	0	0	111.6
10	Q	32.3	Very low	51.7	Low	149 Å²	149	102.5 Å²	102.5	70%	0.696	57%	0.574	S	S	*	*			trans	-179.4	98.9	137	-103.1	171	59.4	0	0	110.7	H12	Q10-H12 PolarHBondContact OE1-NE2 3.29Å
11	I	34.5	Very low	52.8	Low	175 Å²	175	101.2 Å²	101.2	90%	0.897	57%	0.566	S	S	*	*			trans	-102	119.2	155.8	-60.6	176	0	0	0	105.3
12	H	43.9	Very low	54.7	Low	163 Å²	163	97.5 Å²	97.5	76%	0.755	55%	0.551	S	S	*	*			trans	-77	147.4	177.6	-79.2	-89.8	0	0	0	110.8	Q10 L14	Q10-H12 PolarHBondContact OE1-NE2 3.29Å; H12-L14 PolarHBondContact O-N 3.34Å
13	N	63	Low	56.4	Low	108 Å²	108	98.9 Å²	98.9	58%	0.578	55%	0.55	S	S	*	.			trans	-70.2	110.4	177.1	-71.6	-61.4	0	0	0	109.7	S119	N13-S119 WeakPolarHBondContact OD1-CB 3.23Å; N13-S119 PolarHBondContact OD1-OG 3.3Å
14	L	78.7	Confident	57.7	Low	71 Å²	71	95.3 Å²	95.3	37%	0.372	54%	0.535	S	S	.	.			trans	-77.8	145.5	170	-68.4	173.6	0	0	0	111	H12 T32 F70	H12-L14 PolarHBondContact O-N 3.34Å; L14-T32 HydrophobicContact CB-CG2 3.57Å; L14-T32 HydrophobicContact CD1-CG2 3.82Å; L14-T32 HydrophobicContact CG-CG2 4.36Å; L14-F70 HydrophobicContact CD2-CE1 3.95Å
15	P	86.7	Confident	59.5	Low	6 Å²	6	94.2 Å²	94.2	4%	0.039	53%	0.525	C	S	.	.			trans	-73.9	156.6	175.7	30.6	-32.6	0	0	0	112.1	L33 F70 V75 F115 S116 T117	P15-L33 HydrophobicContact CG-CB 4.28Å; P15-L33 PolarHBondContact O-N 3.09Å; P15-F70 VanDerWaalsContact CD-CZ 3.48Å; P15-F70 HydrophobicContact CG-CD1 3.86Å; P15-F70 HydrophobicContact CG-CD2 4.07Å; P15-F70 HydrophobicContact CG-CE1 3.68Å; P15-F70 HydrophobicContact CG-CE2 3.85Å; P15-F70 HydrophobicContact CG-CG 4.08Å; P15-F70 HydrophobicContact CG-CZ 3.68Å; P15-V75 HydrophobicContact CB-CG2 4.14Å; P15-V75 HydrophobicContact CG-CG2 3.76Å; P15-F115 HydrophobicContact CB-CE2 3.78Å; P15-F115 HydrophobicContact CB-CZ 3.97Å; P15-S116 WeakPolarHBondContact CA-O 3.37Å; P15-T117 HydrophobicContact CB-CG2 4.31Å
16	V	88	Confident	61.4	Low	10 Å²	10	90.1 Å²	90.1	6%	0.061	50%	0.498	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	139.3	-166.6	-177.5	0	0	0	0	111.8	I18 R30 I31 T32 S116	V16-I18 HydrophobicContact CG1-CG1 4.45Å; V16-R30 HydrophobicContact CG1-CB 3.79Å; V16-R30 HydrophobicContact CG1-CG 4.46Å; V16-I31 WeakPolarHBondContact CA-O 3.24Å; V16-T32 HydrophobicContact CG2-CG2 4.44Å; V16-S116 PolarHBondContact N-O 3.4Å; V16-S116 PolarHBondContact O-N 2.6Å
17	L	89.6	Confident	63.6	Low	2 Å²	2	85.7 Å²	85.7	1%	0.01	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	131.7	163.1	-61.1	171	0	0	0	109.7	R30 I31 L33 I54 I68 I105 F113 F115	L17-R30 CarbonylContact O-C 3.5Å; L17-R30 WeakPolarHBondContact O-CA 3.42Å; L17-I31 HydrophobicContact CB-CB 4.34Å; L17-I31 PolarHBondContact N-O 2.86Å; L17-I31 PolarHBondContact O-N 3.37Å; L17-L33 HydrophobicContact CD1-CD1 4.47Å; L17-L33 HydrophobicContact CD1-CD2 4.21Å; L17-L33 HydrophobicContact CG-CD1 4.14Å; L17-L33 HydrophobicContact CG-CG 4.42Å; L17-I54 HydrophobicContact CD1-CD1 3.81Å; L17-I68 HydrophobicContact CD1-CD1 3.84Å; L17-I105 HydrophobicContact CD2-CD1 3.52Å; L17-F113 HydrophobicContact CB-CB 4.34Å; L17-F113 HydrophobicContact CB-CD1 4.34Å; L17-F113 HydrophobicContact CD2-CB 4.37Å; L17-F115 HydrophobicContact CD2-CB 4.02Å; L17-F115 HydrophobicContact CD2-CD2 3.99Å; L17-F115 HydrophobicContact CD2-CG 4.49Å
18	I	87.3	Confident	65.6	Low	12 Å²	12	83.5 Å²	83.5	6%	0.062	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	122.4	175.7	-50.7	-177.9	0	0	0	107.8	V16 L26 S27 R30 F113 K114	V16-I18 HydrophobicContact CG1-CG1 4.45Å; I18-L26 HydrophobicContact CB-CD2 4.02Å; I18-L26 HydrophobicContact CG2-CB 4.18Å; I18-L26 HydrophobicContact CG2-CD2 3.72Å; I18-L26 HydrophobicContact CG2-CG 4.5Å; I18-S27 WeakPolarHBondContact CG2-O 3.33Å; I18-R30 HydrophobicContact CG1-CG 4.18Å; I18-R30 HydrophobicContact CG2-CG 4.22Å; I18-F113 CarbonylContact O-C 3.6Å; I18-F113 VanDerWaalsContact O-CA 3.24Å; I18-F113 WeakPolarHBondContact O-CA 3.15Å; I18-K114 PolarHBondContact N-O 2.78Å; I18-K114 PolarHBondContact O-N 3.06Å
19	V	86.8	Confident	67.5	Low	39 Å²	39	84.2 Å²	84.2	24%	0.236	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	141.5	177.7	-176.5	0	0	0	0	109.2	S27 H29 F113	V19-S27 WeakPolarHBondContact O-CA 3.42Å; V19-S27 WeakPolarHBondContact O-CB 3.44Å; V19-S27 PolarHBondContact O-N 3.23Å; V19-H29 HydrophobicContact CB-CB 4.27Å; V19-H29 HydrophobicContact CG2-CB 3.99Å; V19-H29 PolarHBondContact N-O 3.32Å; V19-F113 HydrophobicContact CG2-CD1 4.08Å; V19-F113 HydrophobicContact CG2-CE1 3.98Å
20	M	81.6	Confident	69.5	Low	21 Å²	21	83.7 Å²	83.7	10%	0.103	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	136.5	170	-72.3	174.1	-59.5	0	0	110.1	H25 L26 H104 S112 F113 K114	M20-H25 WeakPolarHBondContact CA-O 3.45Å; M20-L26 HydrophobicContact CG-CD2 3.65Å; M20-L26 HydrophobicContact CG-CG 4.41Å; M20-L26 HydrophobicContact SD-CD2 4.08Å; M20-H104 WeakPolarHBondContact CE-CE1 3.34Å; M20-H104 VanDerWaalsContact CE-ND1 3.31Å; M20-H104 WeakPolarHBondContact CE-ND1 3.35Å; M20-S112 PolarHBondContact N-O 3.07Å; M20-F113 VanDerWaalsContact CE-O 3.3Å; M20-F113 WeakPolarHBondContact CE-O 3.38Å; M20-K114 HydrophobicContact CE-CB 4.28Å; M20-K114 HydrophobicContact SD-CB 4.07Å
21	N	75.7	Confident	72	Confident	76 Å²	76	79 Å²	79	41%	0.406	42%	0.416	S	S	.	.			trans	-76.4	162.9	173.8	-62.1	-8.8	0	0	0	109.9	D23 G24 H25 S27	N21-D23 PolarHBondContact O-N 3Å; N21-G24 PolarHBondContact O-N 3.12Å; N21-H25 PolarHBondContact N-O 3.44Å; N21-S27 WeakPolarHBondContact OD1-CB 3.39Å
22	N	61.9	Low	74.4	Confident	157 Å²	157	73.6 Å²	73.6	84%	0.84	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-23.9	-178	-62.5	15.4	0	0	0	113.6	G24	N22-G24 PolarHBondContact O-N 2.94Å
23	D	62.1	Low	76.4	Confident	143 Å²	143	66 Å²	66	77%	0.765	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	5	175.1	-45.4	-62.9	0	0	0	113.9	N21 H25	N21-D23 PolarHBondContact O-N 3Å; D23-H25 PolarHBondContact O-N 3.39Å
24	G	58.5	Low	77.3	Confident	49 Å²	49	64.2 Å²	64.2	51%	0.505	34%	0.344	S	S	.	.	S	Bend	trans	77.7	-3.7	-178	0	0	0	0	0	115.2	N21 N22	N21-G24 PolarHBondContact O-N 3.12Å; N22-G24 PolarHBondContact O-N 2.94Å
25	H	65.9	Low	77.4	Confident	145 Å²	145	67.6 Å²	67.6	67%	0.671	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-77.2	140.2	176	-100.4	-90.2	0	0	0	112.5	M20 N21 D23 S27	M20-H25 WeakPolarHBondContact CA-O 3.45Å; N21-H25 PolarHBondContact N-O 3.44Å; D23-H25 PolarHBondContact O-N 3.39Å; H25-S27 PolarHBondContact O-N 2.96Å
26	L	69.9	Low	77.2	Confident	60 Å²	60	68.7 Å²	68.7	31%	0.314	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	126.9	171.9	-68.6	165.1	0	0	0	110.6	I18 M20 K114	I18-L26 HydrophobicContact CB-CD2 4.02Å; I18-L26 HydrophobicContact CG2-CB 4.18Å; I18-L26 HydrophobicContact CG2-CD2 3.72Å; I18-L26 HydrophobicContact CG2-CG 4.5Å; M20-L26 HydrophobicContact CG-CD2 3.65Å; M20-L26 HydrophobicContact CG-CG 4.41Å; M20-L26 HydrophobicContact SD-CD2 4.08Å; L26-K114 HydrophobicContact CD1-CD 4.42Å; L26-K114 HydrophobicContact CD2-CB 3.72Å; L26-K114 HydrophobicContact CD2-CD 3.95Å; L26-K114 HydrophobicContact CD2-CG 4.46Å
27	S	73.4	Confident	77	Confident	22 Å²	22	72 Å²	72	15%	0.154	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	162.2	173.9	-167.9	0	0	0	0	111.5	I18 V19 N21 H25 H29	I18-S27 WeakPolarHBondContact CG2-O 3.33Å; V19-S27 WeakPolarHBondContact O-CA 3.42Å; V19-S27 WeakPolarHBondContact O-CB 3.44Å; V19-S27 PolarHBondContact O-N 3.23Å; N21-S27 WeakPolarHBondContact OD1-CB 3.39Å; H25-S27 PolarHBondContact O-N 2.96Å; S27-H29 PolarHBondContact O-N 3.39Å; S27-H29 PolarHBondContact OG-N 3.25Å
28	T	69.5	Low	76.9	Confident	115 Å²	115	72.2 Å²	72.2	71%	0.706	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.6	-13.6	168.4	57.6	0	0	0	0	112.5
29	H	71.1	Confident	77	Confident	130 Å²	130	73.2 Å²	73.2	60%	0.602	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.9	125.4	178	-74.4	22.8	0	0	0	111.4	V19 S27	V19-H29 HydrophobicContact CB-CB 4.27Å; V19-H29 HydrophobicContact CG2-CB 3.99Å; V19-H29 PolarHBondContact N-O 3.32Å; S27-H29 PolarHBondContact O-N 3.39Å; S27-H29 PolarHBondContact OG-N 3.25Å
30	R	78.4	Confident	77.2	Confident	105 Å²	105	71.4 Å²	71.4	40%	0.396	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	131.8	-172.4	-62.6	-174.4	74.5	-142.6	-0.8	109.9	V16 L17 I18 A122	V16-R30 HydrophobicContact CG1-CB 3.79Å; V16-R30 HydrophobicContact CG1-CG 4.46Å; L17-R30 CarbonylContact O-C 3.5Å; L17-R30 WeakPolarHBondContact O-CA 3.42Å; I18-R30 HydrophobicContact CG1-CG 4.18Å; I18-R30 HydrophobicContact CG2-CG 4.22Å; R30-A122 VanDerWaalsContact CZ-CB 3.48Å
31	I	85.3	Confident	77.5	Confident	50 Å²	50	70.4 Å²	70.4	26%	0.256	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	109	-179.8	-52.7	173.1	0	0	0	107.7	V16 L17 I54 F113	V16-I31 WeakPolarHBondContact CA-O 3.24Å; L17-I31 HydrophobicContact CB-CB 4.34Å; L17-I31 PolarHBondContact N-O 2.86Å; L17-I31 PolarHBondContact O-N 3.37Å; I31-I54 HydrophobicContact CD1-CD1 4.24Å; I31-I54 HydrophobicContact CD1-CG1 4.47Å; I31-I54 HydrophobicContact CD1-CG2 4.11Å; I31-I54 HydrophobicContact CG2-CD1 3.95Å; I31-I54 HydrophobicContact CG2-CG1 4.1Å; I31-F113 HydrophobicContact CD1-CE1 4Å
32	T	85.8	Confident	77.9	Confident	62 Å²	62	68.4 Å²	68.4	38%	0.38	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	134.9	175	-53.3	0	0	0	0	109.9	L14 V16	L14-T32 HydrophobicContact CB-CG2 3.57Å; L14-T32 HydrophobicContact CD1-CG2 3.82Å; L14-T32 HydrophobicContact CG-CG2 4.36Å; V16-T32 HydrophobicContact CG2-CG2 4.44Å
33	L	85.4	Confident	78.7	Confident	2 Å²	2	63.4 Å²	63.4	1%	0.01	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-96.1	129.3	174.6	-62.9	173	0	0	0	109.4	P15 L17 T38 I68 V75 F115	P15-L33 HydrophobicContact CG-CB 4.28Å; P15-L33 PolarHBondContact O-N 3.09Å; L17-L33 HydrophobicContact CD1-CD1 4.47Å; L17-L33 HydrophobicContact CD1-CD2 4.21Å; L17-L33 HydrophobicContact CG-CD1 4.14Å; L17-L33 HydrophobicContact CG-CG 4.42Å; L33-T38 HydrophobicContact CD2-CG2 4.37Å; L33-I68 HydrophobicContact CD1-CG2 3.84Å; L33-I68 HydrophobicContact CD2-CG2 4.14Å; L33-V75 HydrophobicContact CD1-CG1 3.98Å; L33-F115 HydrophobicContact CD1-CD2 4.29Å; L33-F115 HydrophobicContact CD1-CE2 4Å
34	H	82.3	Confident	78.6	Confident	72 Å²	72	60.1 Å²	60.1	33%	0.333	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-101.2	156.3	178.4	-67.1	-102	0	0	0	110.1	G36 H52	H34-G36 PolarHBondContact O-N 3.21Å; H34-H52 AromaticContact CD2-CD2 3.96Å; H34-H52 AromaticContact CD2-CE1 3.96Å; H34-H52 AromaticContact CD2-CG 3.89Å; H34-H52 AromaticContact CD2-ND1 3.9Å; H34-H52 AromaticContact CG-CD2 3.73Å; H34-H52 AromaticContact CG-NE2 3.71Å; H34-H52 AromaticContact ND1-NE2 3.98Å
35	E	79.8	Confident	78.8	Confident	141 Å²	141	62.6 Å²	62.6	66%	0.659	33%	0.332	S	S	*	.	S	Bend	trans	-62.7	135.3	179.9	-66.9	-169.6	145.2	0	0	111	F70	E35-F70 WeakPolarHBondContact CA-O 3.35Å; E35-F70 HydrophobicContact CB-CD1 4.39Å; E35-F70 HydrophobicContact CG-CD1 3.76Å; E35-F70 HydrophobicContact CG-CE1 3.59Å; E35-F70 HydrophobicContact CG-CG 4.49Å; E35-F70 HydrophobicContact CG-CZ 4.26Å
36	G	82.3	Confident	78.5	Confident	30 Å²	30	56 Å²	56	31%	0.309	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	123.2	-151.8	-170.3	0	0	0	0	0	112.5	H34 A69 F70	H34-G36 PolarHBondContact O-N 3.21Å; G36-A69 CarbonylContact O-C 3.56Å; G36-A69 WeakPolarHBondContact O-CA 3.41Å; G36-F70 PolarHBondContact N-O 2.89Å; G36-F70 PolarHBondContact O-N 2.9Å
37	V	83.8	Confident	77.7	Confident	80 Å²	80	57.3 Å²	57.3	49%	0.485	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	119.7	-180	-172.2	0	0	0	0	110.4	A67 I68 A69	V37-A67 HydrophobicContact CG1-CB 4.15Å; V37-I68 WeakPolarHBondContact CA-O 3.38Å; V37-A69 HydrophobicContact CG1-CB 4.47Å; V37-A69 HydrophobicContact CG2-CB 3.93Å
38	T	88.7	Confident	76.5	Confident	6 Å²	6	61.4 Å²	61.4	4%	0.037	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	113.6	171.9	-72.9	0	0	0	0	108.9	L33 V40 H52 I54 A67 I68	L33-T38 HydrophobicContact CD2-CG2 4.37Å; T38-V40 HydrophobicContact CG2-CG2 4.48Å; T38-H52 VanDerWaalsContact CG2-O 3.29Å; T38-H52 WeakPolarHBondContact CG2-O 3.25Å; T38-H52 PolarHBondContact OG1-O 2.78Å; T38-I54 HydrophobicContact CG2-CD1 3.83Å; T38-I54 HydrophobicContact CG2-CG1 3.71Å; T38-A67 WeakPolarHBondContact O-CA 3.25Å; T38-I68 PolarHBondContact N-O 3.13Å; T38-I68 PolarHBondContact O-N 3.32Å
39	E	89.4	Confident	75.3	Confident	33 Å²	33	62 Å²	62	15%	0.154	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	148.4	169.4	-59.8	-161.9	127.5	0	0	110.8	M46 N53 I54 R64	E39-M46 HydrophobicContact CB-CE 3.6Å; E39-M46 VanDerWaalsContact O-CE 3.27Å; E39-M46 WeakPolarHBondContact O-CE 3.27Å; E39-N53 PolarHBondContact N-OD1 2.69Å; E39-N53 CarbonylContact O-C 3.54Å; E39-N53 WeakPolarHBondContact O-CA 3.39Å; E39-I54 PolarHBondContact O-N 3.28Å; E39-R64 WeakPolarHBondContact OE1-CD 3.26Å; E39-R64 IonicContact OE1-CZ 3.84Å; E39-R64 IonicContact OE1-NE 3.28Å; E39-R64 IonicContact OE1-NH1 3.15Å; E39-R64 PolarHBondContact OE1-NH1 2.92Å; E39-R64 IonicContact OE2-CZ 3.56Å; E39-R64 IonicContact OE2-NE 2.61Å; E39-R64 PolarHBondContact OE2-NE 2.61Å; E39-R64 IonicContact OE2-NH1 3.75Å; E39-R64 PolarHBondContact OE2-NH1 2.94Å; E39-R64 IonicContact OE2-NH2 2.68Å
40	V	89.7	Confident	74.5	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	128.9	178.7	-168.9	0	0	0	0	110.1	T38 M46 I54 L56 H65 A66 I68 I107	T38-V40 HydrophobicContact CG2-CG2 4.48Å; V40-M46 VanDerWaalsContact C-CE 3.43Å; V40-I54 WeakPolarHBondContact CA-O 3.48Å; V40-I54 HydrophobicContact CG1-CB 4.16Å; V40-I54 HydrophobicContact CG1-CG2 4.27Å; V40-I54 HydrophobicContact CG2-CB 4.18Å; V40-I54 HydrophobicContact CG2-CD1 4.31Å; V40-L56 HydrophobicContact CG1-CD1 3.59Å; V40-L56 HydrophobicContact CG1-CG 4.11Å; V40-H65 PolarHBondContact O-N 3.42Å; V40-A66 HydrophobicContact CB-CB 4.31Å; V40-A66 PolarHBondContact N-O 2.86Å; V40-A66 PolarHBondContact O-N 3.45Å; V40-I68 HydrophobicContact CG2-CD1 3.95Å; V40-I68 HydrophobicContact CG2-CG1 4.12Å; V40-I107 HydrophobicContact CG1-CD1 3.97Å; V40-I107 HydrophobicContact CG1-CG2 4.25Å
41	G	87.9	Confident	73.4	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165.3	-172.1	-174.7	0	0	0	0	0	114.6	M46 I54 Y55 L56 R62	G41-M46 VanDerWaalsContact N-CE 3.31Å; G41-I54 PolarHBondContact N-O 2.98Å; G41-Y55 WeakPolarHBondContact O-CA 3.44Å; G41-L56 PolarHBondContact O-N 3.35Å; G41-R62 VanDerWaalsContact CA-O 3.29Å; G41-R62 WeakPolarHBondContact CA-O 3.45Å
42	S	83.8	Confident	72.5	Confident	34 Å²	34	61.5 Å²	61.5	24%	0.238	33%	0.334	C	S	.	.	S	Bend	trans	-108.9	10.4	-174.6	54.6	0	0	0	0	114.5	Y55 L56 I61 R62 G63	S42-Y55 WeakPolarHBondContact O-CE2 3.49Å; S42-L56 WeakPolarHBondContact CB-O 3.49Å; S42-I61 PolarHBondContact OG-O 3Å; S42-R62 PolarHBondContact N-O 3.39Å; S42-R62 PolarHBondContact OG-O 3.38Å; S42-G63 PolarHBondContact N-O 2.98Å; S42-G63 PolarHBondContact OG-N 2.96Å
43	D	80.6	Confident	72.4	Confident	53 Å²	53	60 Å²	60	28%	0.283	32%	0.324	S	S	.	.			trans	-89.1	115.8	178.3	-177.7	8.7	0	0	0	112	Q45 M46 G63	D43-Q45 PolarHBondContact O-N 2.98Å; D43-Q45 WeakPolarHBondContact OD1-CB 3.42Å; D43-Q45 WeakPolarHBondContact OD1-CG 3.37Å; D43-Q45 PolarHBondContact OD1-N 3.05Å; D43-M46 HydrophobicContact CB-CG 4.15Å; D43-M46 HydrophobicContact CB-SD 4.37Å; D43-M46 VanDerWaalsContact O-CB 3.29Å; D43-M46 WeakPolarHBondContact O-CB 3.21Å; D43-M46 VanDerWaalsContact O-CG 3.26Å; D43-M46 WeakPolarHBondContact O-CG 3.4Å; D43-M46 PolarHBondContact O-N 3.37Å; D43-G63 VanDerWaalsContact CB-O 3.23Å; D43-G63 WeakPolarHBondContact CB-O 3.35Å; D43-G63 PolarHBondContact N-O 3.31Å; D43-G63 VanDerWaalsContact N-O 3.13Å
44	S	60	Low	72.4	Confident	74 Å²	74	60.5 Å²	60.5	52%	0.517	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-41.1	-33.6	166.9	63.8	0	0	0	0	115.1	M46 S47	S44-M46 VanDerWaalsContact C-N 3.32Å; S44-M46 PolarHBondContact O-N 3.35Å; S44-S47 PolarHBondContact O-OG 3.26Å
45	Q	61.5	Low	72.7	Confident	101 Å²	101	62.9 Å²	62.9	47%	0.472	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-79	-9.5	-177.6	-54.7	-52.5	-63.5	0	0	114	D43 S47 N48 F49	D43-Q45 PolarHBondContact O-N 2.98Å; D43-Q45 WeakPolarHBondContact OD1-CB 3.42Å; D43-Q45 WeakPolarHBondContact OD1-CG 3.37Å; D43-Q45 PolarHBondContact OD1-N 3.05Å; Q45-S47 PolarHBondContact O-N 3.41Å; Q45-N48 WeakPolarHBondContact CA-ND2 3.37Å; Q45-N48 WeakPolarHBondContact O-CB 3.33Å; Q45-N48 PolarHBondContact O-N 3.44Å; Q45-N48 VanDerWaalsContact O-N 3.17Å; Q45-N48 PolarHBondContact O-ND2 3.23Å; Q45-N48 PolarHBondContact OE1-ND2 3.32Å; Q45-F49 WeakPolarHBondContact O-CD2 3.48Å
46	M	59.5	Low	72.9	Confident	5 Å²	5	56.8 Å²	56.8	3%	0.025	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-58.4	-29.3	171	-68.7	165.3	70.7	0	0	112	E39 V40 G41 D43 S44 N48 F49 N53	E39-M46 HydrophobicContact CB-CE 3.6Å; E39-M46 VanDerWaalsContact O-CE 3.27Å; E39-M46 WeakPolarHBondContact O-CE 3.27Å; V40-M46 VanDerWaalsContact C-CE 3.43Å; G41-M46 VanDerWaalsContact N-CE 3.31Å; D43-M46 HydrophobicContact CB-CG 4.15Å; D43-M46 HydrophobicContact CB-SD 4.37Å; D43-M46 VanDerWaalsContact O-CB 3.29Å; D43-M46 WeakPolarHBondContact O-CB 3.21Å; D43-M46 VanDerWaalsContact O-CG 3.26Å; D43-M46 WeakPolarHBondContact O-CG 3.4Å; D43-M46 PolarHBondContact O-N 3.37Å; S44-M46 VanDerWaalsContact C-N 3.32Å; S44-M46 PolarHBondContact O-N 3.35Å; M46-N48 PolarHBondContact O-N 2.96Å; M46-F49 PolarHBondContact O-N 3.25Å; M46-F49 VanDerWaalsContact O-N 3.09Å; M46-N53 HydrophobicContact CB-CB 4.41Å; M46-N53 HydrophobicContact CE-CB 4.32Å; M46-N53 PolarHBondContact O-ND2 2.72Å
47	S	54.2	Low	72.8	Confident	88 Å²	88	60.4 Å²	60.4	62%	0.615	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-57.4	-18.9	176.4	59.2	0	0	0	0	114.4	S44 Q45	S44-S47 PolarHBondContact O-OG 3.26Å; Q45-S47 PolarHBondContact O-N 3.41Å
48	N	46.9	Very low	72.6	Confident	109 Å²	109	58 Å²	58	58%	0.583	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-84.2	-10.4	178.5	-56.4	-68.7	0	0	0	114.2	Q45 M46	Q45-N48 WeakPolarHBondContact CA-ND2 3.37Å; Q45-N48 WeakPolarHBondContact O-CB 3.33Å; Q45-N48 PolarHBondContact O-N 3.44Å; Q45-N48 VanDerWaalsContact O-N 3.17Å; Q45-N48 PolarHBondContact O-ND2 3.23Å; Q45-N48 PolarHBondContact OE1-ND2 3.32Å; M46-N48 PolarHBondContact O-N 2.96Å
49	F	45.1	Very low	71.9	Confident	126 Å²	126	63.1 Å²	63.1	55%	0.553	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.2	-25.6	-169	-68.2	-80.6	0	0	0	114.9	Q45 M46	Q45-F49 WeakPolarHBondContact O-CD2 3.48Å; M46-F49 PolarHBondContact O-N 3.25Å; M46-F49 VanDerWaalsContact O-N 3.09Å
50	S	53.8	Low	71.5	Confident	33 Å²	33	65.5 Å²	65.5	23%	0.231	36%	0.355	C	S	.	.			trans	-156.8	152.6	164.9	100.5	0	0	0	0	110.4	H52 N53	S50-H52 PolarHBondContact O-N 2.75Å; S50-H52 PolarHBondContact OG-N 3.4Å; S50-N53 PolarHBondContact N-ND2 3.12Å; S50-N53 PolarHBondContact OG-N 3.13Å; S50-N53 PolarHBondContact OG-OD1 2.69Å
51	Q	55	Low	71.3	Confident	159 Å²	159	66.1 Å²	66.1	74%	0.743	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	2.2	174.1	-60.8	-172.5	21.3	0	0	113.2
52	H	67.6	Low	71	Confident	83 Å²	83	70.1 Å²	70.1	38%	0.384	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.4	11	-172.3	-53.8	-42.9	0	0	0	113.1	H34 T38 S50	H34-H52 AromaticContact CD2-CD2 3.96Å; H34-H52 AromaticContact CD2-CE1 3.96Å; H34-H52 AromaticContact CD2-CG 3.89Å; H34-H52 AromaticContact CD2-ND1 3.9Å; H34-H52 AromaticContact CG-CD2 3.73Å; H34-H52 AromaticContact CG-NE2 3.71Å; H34-H52 AromaticContact ND1-NE2 3.98Å; T38-H52 VanDerWaalsContact CG2-O 3.29Å; T38-H52 WeakPolarHBondContact CG2-O 3.25Å; T38-H52 PolarHBondContact OG1-O 2.78Å; S50-H52 PolarHBondContact O-N 2.75Å; S50-H52 PolarHBondContact OG-N 3.4Å
53	N	83	Confident	71	Confident	31 Å²	31	69.8 Å²	69.8	17%	0.166	38%	0.376	C	S	.	.			trans	-67.8	138.7	177.3	-73.4	-12.5	0	0	0	111.7	E39 M46 S50	E39-N53 PolarHBondContact N-OD1 2.69Å; E39-N53 CarbonylContact O-C 3.54Å; E39-N53 WeakPolarHBondContact O-CA 3.39Å; M46-N53 HydrophobicContact CB-CB 4.41Å; M46-N53 HydrophobicContact CE-CB 4.32Å; M46-N53 PolarHBondContact O-ND2 2.72Å; S50-N53 PolarHBondContact N-ND2 3.12Å; S50-N53 PolarHBondContact OG-N 3.13Å; S50-N53 PolarHBondContact OG-OD1 2.69Å
54	I	86.3	Confident	71.2	Confident	13 Å²	13	71.8 Å²	71.8	7%	0.067	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	106.3	-175.3	-57.3	171.6	0	0	0	109	L17 I31 T38 E39 V40 G41 L56 I68	L17-I54 HydrophobicContact CD1-CD1 3.81Å; I31-I54 HydrophobicContact CD1-CD1 4.24Å; I31-I54 HydrophobicContact CD1-CG1 4.47Å; I31-I54 HydrophobicContact CD1-CG2 4.11Å; I31-I54 HydrophobicContact CG2-CD1 3.95Å; I31-I54 HydrophobicContact CG2-CG1 4.1Å; T38-I54 HydrophobicContact CG2-CD1 3.83Å; T38-I54 HydrophobicContact CG2-CG1 3.71Å; E39-I54 PolarHBondContact O-N 3.28Å; V40-I54 WeakPolarHBondContact CA-O 3.48Å; V40-I54 HydrophobicContact CG1-CB 4.16Å; V40-I54 HydrophobicContact CG1-CG2 4.27Å; V40-I54 HydrophobicContact CG2-CB 4.18Å; V40-I54 HydrophobicContact CG2-CD1 4.31Å; G41-I54 PolarHBondContact N-O 2.98Å; I54-L56 HydrophobicContact CG2-CD2 3.9Å; I54-L56 HydrophobicContact CG2-CG 4.05Å; I54-I68 HydrophobicContact CD1-CD1 4.43Å
55	Y	87.4	Confident	72.6	Confident	121 Å²	121	68.2 Å²	68.2	48%	0.475	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	125.1	175	-174.1	-88.4	0	0	0	110.6	G41 S42 D57	G41-Y55 WeakPolarHBondContact O-CA 3.44Å; S42-Y55 WeakPolarHBondContact O-CE2 3.49Å; Y55-D57 VanDerWaalsContact CE1-OD1 3.28Å; Y55-D57 WeakPolarHBondContact CE1-OD1 3.26Å; Y55-D57 WeakPolarHBondContact CE1-OD2 3.48Å; Y55-D57 VanDerWaalsContact CZ-OD1 3.3Å; Y55-D57 PolarHBondContact OH-OD1 3.33Å
56	L	85.1	Confident	74	Confident	14 Å²	14	63.4 Å²	63.4	7%	0.073	33%	0.332	C	S	.	.			trans	-130.1	128.3	176.6	-57.8	178.2	0	0	0	109.8	V40 G41 S42 I54 I61 I107 H111 F113	V40-L56 HydrophobicContact CG1-CD1 3.59Å; V40-L56 HydrophobicContact CG1-CG 4.11Å; G41-L56 PolarHBondContact O-N 3.35Å; S42-L56 WeakPolarHBondContact CB-O 3.49Å; I54-L56 HydrophobicContact CG2-CD2 3.9Å; I54-L56 HydrophobicContact CG2-CG 4.05Å; L56-I61 HydrophobicContact CB-CG1 4.37Å; L56-I61 HydrophobicContact CB-CG2 4.27Å; L56-I61 VanDerWaalsContact O-CG2 3.29Å; L56-I61 WeakPolarHBondContact O-CG2 3.33Å; L56-I107 HydrophobicContact CD1-CB 4.13Å; L56-I107 HydrophobicContact CD1-CD1 4.35Å; L56-I107 HydrophobicContact CD1-CG2 4.05Å; L56-H111 HydrophobicContact CD1-CB 4.11Å; L56-F113 HydrophobicContact CD1-CE2 4.26Å; L56-F113 HydrophobicContact CD1-CZ 4.16Å; L56-F113 HydrophobicContact CD2-CZ 4.03Å
57	D	79.1	Confident	75.5	Confident	106 Å²	106	64.2 Å²	64.2	57%	0.567	34%	0.339	S	S	*	.			trans	-92.4	142.6	168.5	-74.9	-43	0	0	0	110.4	Y55 H111	Y55-D57 VanDerWaalsContact CE1-OD1 3.28Å; Y55-D57 WeakPolarHBondContact CE1-OD1 3.26Å; Y55-D57 WeakPolarHBondContact CE1-OD2 3.48Å; Y55-D57 VanDerWaalsContact CZ-OD1 3.3Å; Y55-D57 PolarHBondContact OH-OD1 3.33Å; D57-H111 PolarHBondContact O-CE1 3Å; D57-H111 PolarHBondContact O-NE2 2.9Å
58	G	79.9	Confident	77.4	Confident	28 Å²	28	60.1 Å²	60.1	29%	0.289	31%	0.311	S	S	.	.			trans	169.6	157.6	173.4	0	0	0	0	0	111.8	D60 I61	G58-D60 VanDerWaalsContact C-N 3.26Å; G58-D60 PolarHBondContact O-N 3.32Å; G58-I61 PolarHBondContact O-N 3.07Å; G58-I61 VanDerWaalsContact O-N 3.14Å
59	P	73.9	Confident	79.4	Confident	114 Å²	114	55.8 Å²	55.8	74%	0.74	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-33.3	-176.3	25.2	-33.9	0	0	0	113
60	D	80.6	Confident	81.6	Confident	83 Å²	83	50.5 Å²	50.5	44%	0.444	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	1.7	179.6	-54.8	-58.8	0	0	0	113.6	G58 H65	G58-D60 VanDerWaalsContact C-N 3.26Å; G58-D60 PolarHBondContact O-N 3.32Å; D60-H65 PolarHBondContact O-CE1 2.86Å; D60-H65 VanDerWaalsContact O-CE1 3.24Å; D60-H65 PolarHBondContact O-ND1 3.04Å; D60-H65 VanDerWaalsContact O-ND1 3.09Å
61	I	85.9	Confident	83	Confident	13 Å²	13	54.6 Å²	54.6	7%	0.067	28%	0.284	C	S	.	.			trans	-89	115.7	179.9	-51.9	-62.3	0	0	0	110.5	S42 L56 G58 H65 I107	S42-I61 PolarHBondContact OG-O 3Å; L56-I61 HydrophobicContact CB-CG1 4.37Å; L56-I61 HydrophobicContact CB-CG2 4.27Å; L56-I61 VanDerWaalsContact O-CG2 3.29Å; L56-I61 WeakPolarHBondContact O-CG2 3.33Å; G58-I61 PolarHBondContact O-N 3.07Å; G58-I61 VanDerWaalsContact O-N 3.14Å; I61-H65 HydrophobicContact CG2-CB 4.2Å; I61-I107 HydrophobicContact CD1-CG2 4.22Å; I61-I107 WeakPolarHBondContact CD1-O 3.24Å
62	R	82.8	Confident	84.1	Confident	84 Å²	84	56 Å²	56	32%	0.317	29%	0.29	S	S	.	.			trans	-82.3	157.9	174.1	-64.9	-162.8	-171.5	75.7	19.3	111.4	G41 S42 R64 H65 T81 D83 A84	G41-R62 VanDerWaalsContact CA-O 3.29Å; G41-R62 WeakPolarHBondContact CA-O 3.45Å; S42-R62 PolarHBondContact N-O 3.39Å; S42-R62 PolarHBondContact OG-O 3.38Å; R62-R64 CarbonylContact O-C 3.46Å; R62-R64 PolarHBondContact O-N 2.83Å; R62-R64 VanDerWaalsContact O-N 3.11Å; R62-H65 HydrophobicContact CB-CB 4.41Å; R62-H65 PolarHBondContact O-N 3.35Å; R62-T81 PolarHBondContact NH1-OG1 3Å; R62-D83 VanDerWaalsContact CZ-CG 3.44Å; R62-D83 VanDerWaalsContact CZ-O 3.27Å; R62-D83 IonicContact CZ-OD1 3.14Å; R62-D83 IonicContact CZ-OD2 3.63Å; R62-D83 IonicContact NE-OD2 3.69Å; R62-D83 PolarHBondContact NH1-O 3.24Å; R62-D83 IonicContact NH1-OD1 2.68Å; R62-D83 IonicContact NH1-OD2 3.4Å; R62-D83 PolarHBondContact NH2-O 3.4Å; R62-D83 IonicContact NH2-OD1 3.87Å; R62-D83 IonicContact NH2-OD2 2.81Å; R62-D83 PolarHBondContact NH2-OD2 3.08Å; R62-A84 VanDerWaalsContact NH1-CA 3.26Å; R62-A84 VanDerWaalsContact NH1-N 3.17Å
63	G	82.3	Confident	84.6	Confident	28 Å²	28	54.8 Å²	54.8	29%	0.289	30%	0.301	S	S	.	.	S	Bend	trans	-50.1	-39.3	178.4	0	0	0	0	0	113.8	S42 D43	S42-G63 PolarHBondContact N-O 2.98Å; S42-G63 PolarHBondContact OG-N 2.96Å; D43-G63 VanDerWaalsContact CB-O 3.23Å; D43-G63 WeakPolarHBondContact CB-O 3.35Å; D43-G63 PolarHBondContact N-O 3.31Å; D43-G63 VanDerWaalsContact N-O 3.13Å
64	R	86	Confident	84.6	Confident	94 Å²	94	56.7 Å²	56.7	36%	0.355	31%	0.313	S	S	.	.	S	Bend	trans	-125.5	113.8	156.9	-60.5	-175.2	-170.7	-150.7	-1.2	107.6	E39 R62 S80	E39-R64 WeakPolarHBondContact OE1-CD 3.26Å; E39-R64 IonicContact OE1-CZ 3.84Å; E39-R64 IonicContact OE1-NE 3.28Å; E39-R64 IonicContact OE1-NH1 3.15Å; E39-R64 PolarHBondContact OE1-NH1 2.92Å; E39-R64 IonicContact OE2-CZ 3.56Å; E39-R64 IonicContact OE2-NE 2.61Å; E39-R64 PolarHBondContact OE2-NE 2.61Å; E39-R64 IonicContact OE2-NH1 3.75Å; E39-R64 PolarHBondContact OE2-NH1 2.94Å; E39-R64 IonicContact OE2-NH2 2.68Å; R62-R64 CarbonylContact O-C 3.46Å; R62-R64 PolarHBondContact O-N 2.83Å; R62-R64 VanDerWaalsContact O-N 3.11Å; R64-S80 WeakPolarHBondContact O-CB 3.44Å
65	H	88.3	Confident	84.8	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	31%	0.312	C	S	.	.			trans	-104.7	-44.2	-174.5	-173.4	114.9	0	0	0	111.2	V40 D60 I61 R62 S80 Y85	V40-H65 PolarHBondContact O-N 3.42Å; D60-H65 PolarHBondContact O-CE1 2.86Å; D60-H65 VanDerWaalsContact O-CE1 3.24Å; D60-H65 PolarHBondContact O-ND1 3.04Å; D60-H65 VanDerWaalsContact O-ND1 3.09Å; I61-H65 HydrophobicContact CG2-CB 4.2Å; R62-H65 HydrophobicContact CB-CB 4.41Å; R62-H65 PolarHBondContact O-N 3.35Å; H65-S80 WeakPolarHBondContact O-CB 3.48Å; H65-S80 PolarHBondContact O-N 3.31Å; H65-S80 PolarHBondContact O-OG 3.46Å; H65-Y85 PolarHBondContact NE2-O 3.06Å; H65-Y85 VanDerWaalsContact NE2-O 3.14Å
66	A	91.5	Very high	85.1	Confident	0 Å²	0	52 Å²	52	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	168.5	174.8	0	0	0	0	0	112.4	V40 L77 T78 S80 L86	V40-A66 HydrophobicContact CB-CB 4.31Å; V40-A66 PolarHBondContact N-O 2.86Å; V40-A66 PolarHBondContact O-N 3.45Å; A66-L77 HydrophobicContact CB-CD1 4.09Å; A66-T78 CarbonylContact C-O 3.56Å; A66-T78 VanDerWaalsContact CA-O 3.27Å; A66-T78 WeakPolarHBondContact CA-O 3.5Å; A66-T78 WeakPolarHBondContact CB-O 3.36Å; A66-S80 VanDerWaalsContact CA-OG 3.28Å; A66-S80 WeakPolarHBondContact CA-OG 3.34Å; A66-S80 PolarHBondContact N-OG 3.38Å; A66-L86 HydrophobicContact CB-CD1 3.99Å; A66-L86 HydrophobicContact CB-CD2 3.92Å
67	A	91.3	Very high	85.5	Confident	21 Å²	21	51.4 Å²	51.4	17%	0.174	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	134.5	170	0	0	0	0	0	110.3	V37 T38 T78	V37-A67 HydrophobicContact CG1-CB 4.15Å; T38-A67 WeakPolarHBondContact O-CA 3.25Å; A67-T78 PolarHBondContact N-O 2.73Å; A67-T78 PolarHBondContact O-N 3.11Å
68	I	93.1	Very high	86.1	Confident	2 Å²	2	48.4 Å²	48.4	1%	0.01	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	117.4	178.1	-60	177.1	0	0	0	107.7	L17 L33 V37 T38 V40 I54 V75 T76 L77	L17-I68 HydrophobicContact CD1-CD1 3.84Å; L33-I68 HydrophobicContact CD1-CG2 3.84Å; L33-I68 HydrophobicContact CD2-CG2 4.14Å; V37-I68 WeakPolarHBondContact CA-O 3.38Å; T38-I68 PolarHBondContact N-O 3.13Å; T38-I68 PolarHBondContact O-N 3.32Å; V40-I68 HydrophobicContact CG2-CD1 3.95Å; V40-I68 HydrophobicContact CG2-CG1 4.12Å; I54-I68 HydrophobicContact CD1-CD1 4.43Å; I68-V75 HydrophobicContact CG2-CG1 3.68Å; I68-T76 CarbonylContact C-O 3.47Å; I68-T76 VanDerWaalsContact CA-O 3.25Å; I68-T76 WeakPolarHBondContact CA-O 3.44Å; I68-L77 HydrophobicContact CD1-CD1 4.26Å; I68-L77 HydrophobicContact CG1-CD1 3.62Å
69	A	90	Very high	86.7	Confident	19 Å²	19	47.8 Å²	47.8	16%	0.157	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	122.2	179	0	0	0	0	0	110.6	G36 V37 V75 T76	G36-A69 CarbonylContact O-C 3.56Å; G36-A69 WeakPolarHBondContact O-CA 3.41Å; V37-A69 HydrophobicContact CG1-CB 4.47Å; V37-A69 HydrophobicContact CG2-CB 3.93Å; A69-V75 CarbonylContact O-C 3.58Å; A69-V75 WeakPolarHBondContact O-CA 3.29Å; A69-T76 PolarHBondContact N-O 3.27Å; A69-T76 PolarHBondContact O-N 2.94Å; A69-T76 PolarHBondContact O-OG1 3.31Å
70	F	91.4	Very high	87.3	Confident	15 Å²	15	44.7 Å²	44.7	7%	0.066	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	111.4	173.8	176.9	-142.7	0	0	0	108.8	L14 P15 E35 G36 V74 V75	L14-F70 HydrophobicContact CD2-CE1 3.95Å; P15-F70 VanDerWaalsContact CD-CZ 3.48Å; P15-F70 HydrophobicContact CG-CD1 3.86Å; P15-F70 HydrophobicContact CG-CD2 4.07Å; P15-F70 HydrophobicContact CG-CE1 3.68Å; P15-F70 HydrophobicContact CG-CE2 3.85Å; P15-F70 HydrophobicContact CG-CG 4.08Å; P15-F70 HydrophobicContact CG-CZ 3.68Å; E35-F70 WeakPolarHBondContact CA-O 3.35Å; E35-F70 HydrophobicContact CB-CD1 4.39Å; E35-F70 HydrophobicContact CG-CD1 3.76Å; E35-F70 HydrophobicContact CG-CE1 3.59Å; E35-F70 HydrophobicContact CG-CG 4.49Å; E35-F70 HydrophobicContact CG-CZ 4.26Å; G36-F70 PolarHBondContact N-O 2.89Å; G36-F70 PolarHBondContact O-N 2.9Å; F70-V74 WeakPolarHBondContact CA-O 3.36Å; F70-V75 HydrophobicContact CB-CG2 4Å; F70-V75 HydrophobicContact CD2-CG2 3.4Å; F70-V75 HydrophobicContact CE2-CG2 4.09Å; F70-V75 HydrophobicContact CG-CG2 3.86Å
71	M	83	Confident	87.3	Confident	118 Å²	118	43.1 Å²	43.1	58%	0.581	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-143.5	137.6	-177.7	-63.8	-176	68.1	0	0	109.9	G73 V74	M71-G73 PolarHBondContact O-N 3.21Å; M71-G73 VanDerWaalsContact O-N 3.11Å; M71-V74 PolarHBondContact N-O 2.98Å; M71-V74 PolarHBondContact O-N 3.05Å
72	E	78.5	Confident	86.7	Confident	188 Å²	188	52.6 Å²	52.6	88%	0.879	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	34.7	173.8	-57.1	-176.2	174.6	0	0	114	V74	E72-V74 VanDerWaalsContact C-N 3.33Å; E72-V74 PolarHBondContact O-N 3.36Å
73	G	77	Confident	86.3	Confident	58 Å²	58	53.5 Å²	53.5	60%	0.598	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.1	-1.8	-177.7	0	0	0	0	0	115.5	M71	M71-G73 PolarHBondContact O-N 3.21Å; M71-G73 VanDerWaalsContact O-N 3.11Å
74	V	82.4	Confident	86.4	Confident	72 Å²	72	52.2 Å²	52.2	44%	0.436	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	130.7	-178.7	-175.5	0	0	0	0	110.6	F70 M71 E72 I98	F70-V74 WeakPolarHBondContact CA-O 3.36Å; M71-V74 PolarHBondContact N-O 2.98Å; M71-V74 PolarHBondContact O-N 3.05Å; E72-V74 VanDerWaalsContact C-N 3.33Å; E72-V74 PolarHBondContact O-N 3.36Å; V74-I98 HydrophobicContact CG1-CG1 4.38Å; V74-I98 HydrophobicContact CG1-CG2 3.67Å
75	V	91.4	Very high	86.4	Confident	5 Å²	5	51.5 Å²	51.5	3%	0.03	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	134.1	172.6	-173	0	0	0	0	109.9	P15 L33 I68 A69 F70 L99 F115	P15-V75 HydrophobicContact CB-CG2 4.14Å; P15-V75 HydrophobicContact CG-CG2 3.76Å; L33-V75 HydrophobicContact CD1-CG1 3.98Å; I68-V75 HydrophobicContact CG2-CG1 3.68Å; A69-V75 CarbonylContact O-C 3.58Å; A69-V75 WeakPolarHBondContact O-CA 3.29Å; F70-V75 HydrophobicContact CB-CG2 4Å; F70-V75 HydrophobicContact CD2-CG2 3.4Å; F70-V75 HydrophobicContact CE2-CG2 4.09Å; F70-V75 HydrophobicContact CG-CG2 3.86Å; V75-L99 HydrophobicContact CB-CB 4.48Å; V75-L99 HydrophobicContact CG1-CD1 3.97Å; V75-L99 PolarHBondContact O-N 2.87Å; V75-F115 HydrophobicContact CB-CE1 4.47Å; V75-F115 HydrophobicContact CB-CE2 3.93Å; V75-F115 HydrophobicContact CB-CZ 3.6Å; V75-F115 HydrophobicContact CG1-CE2 3.94Å; V75-F115 HydrophobicContact CG1-CZ 4.13Å; V75-F115 HydrophobicContact CG2-CE2 3.77Å; V75-F115 HydrophobicContact CG2-CZ 3.52Å
76	T	92.8	Very high	86.6	Confident	31 Å²	31	51.5 Å²	51.5	19%	0.19	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	151.5	174.8	52.6	0	0	0	0	111.3	I68 A69 T96 E97 I98	I68-T76 CarbonylContact C-O 3.47Å; I68-T76 VanDerWaalsContact CA-O 3.25Å; I68-T76 WeakPolarHBondContact CA-O 3.44Å; A69-T76 PolarHBondContact N-O 3.27Å; A69-T76 PolarHBondContact O-N 2.94Å; A69-T76 PolarHBondContact O-OG1 3.31Å; T76-T96 HydrophobicContact CG2-CG2 4.18Å; T76-E97 CarbonylContact C-O 3.53Å; T76-E97 WeakPolarHBondContact CA-O 3.47Å; T76-E97 WeakPolarHBondContact CB-O 3.36Å; T76-I98 HydrophobicContact CG2-CB 4.4Å; T76-I98 HydrophobicContact CG2-CG1 3.72Å
77	L	94.1	Very high	86.5	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	129.6	176.6	172.5	64.8	0	0	0	109.1	A66 I68 L86 V88 L93 T96 E97 L99 I105	A66-L77 HydrophobicContact CB-CD1 4.09Å; I68-L77 HydrophobicContact CD1-CD1 4.26Å; I68-L77 HydrophobicContact CG1-CD1 3.62Å; L77-L86 HydrophobicContact CD1-CD1 4.21Å; L77-L86 HydrophobicContact CD1-CD2 4.04Å; L77-L86 HydrophobicContact CD2-CD1 4.2Å; L77-L86 HydrophobicContact CD2-CD2 4.23Å; L77-L86 HydrophobicContact CD2-CG 4.28Å; L77-L86 HydrophobicContact CG-CD2 3.96Å; L77-V88 HydrophobicContact CD2-CG2 3.7Å; L77-L93 HydrophobicContact CD2-CD1 3.65Å; L77-L93 HydrophobicContact CG-CD1 4.06Å; L77-T96 WeakPolarHBondContact O-CA 2.89Å; L77-E97 PolarHBondContact N-O 2.94Å; L77-E97 PolarHBondContact O-N 3.41Å; L77-L99 HydrophobicContact CB-CD1 3.98Å; L77-L99 HydrophobicContact CB-CD2 4.12Å; L77-L99 HydrophobicContact CB-CG 4.02Å; L77-L99 HydrophobicContact CD2-CD2 4.26Å; L77-I105 HydrophobicContact CD2-CG1 4.22Å; L77-I105 HydrophobicContact CD2-CG2 3.73Å
78	T	92.1	Very high	86.6	Confident	44 Å²	44	51.9 Å²	51.9	27%	0.27	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	128.5	-176.3	-56.3	0	0	0	0	110.8	A66 A67 T96	A66-T78 CarbonylContact C-O 3.56Å; A66-T78 VanDerWaalsContact CA-O 3.27Å; A66-T78 WeakPolarHBondContact CA-O 3.5Å; A66-T78 WeakPolarHBondContact CB-O 3.36Å; A67-T78 PolarHBondContact N-O 2.73Å; A67-T78 PolarHBondContact O-N 3.11Å; T78-T96 VanDerWaalsContact CG2-OG1 3.32Å; T78-T96 WeakPolarHBondContact CG2-OG1 3.44Å; T78-T96 WeakPolarHBondContact OG1-CB 3.42Å; T78-T96 VanDerWaalsContact OG1-CG2 3.26Å; T78-T96 WeakPolarHBondContact OG1-CG2 3.35Å; T78-T96 PolarHBondContact OG1-OG1 3.02Å
79	P	91.4	Very high	86.3	Confident	14 Å²	14	55.8 Å²	55.8	9%	0.091	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	131	169.8	30	-35	0	0	0	110.5	T81 A84 L86 L93 Q95	P79-T81 VanDerWaalsContact C-N 3.25Å; P79-T81 PolarHBondContact O-N 3.18Å; P79-A84 HydrophobicContact CB-CB 4.02Å; P79-L86 HydrophobicContact CB-CD2 3.82Å; P79-L86 HydrophobicContact CG-CD2 4.49Å; P79-L93 WeakPolarHBondContact CG-O 3.37Å; P79-Q95 WeakPolarHBondContact CD-O 3.39Å
80	S	86.7	Confident	85.9	Confident	50 Å²	50	57.2 Å²	57.2	35%	0.35	31%	0.312	S	S	.	.	S	Bend	trans	-73.4	-19.1	-179.7	-58	0	0	0	0	113	R64 H65 A66	R64-S80 WeakPolarHBondContact O-CB 3.44Å; H65-S80 WeakPolarHBondContact O-CB 3.48Å; H65-S80 PolarHBondContact O-N 3.31Å; H65-S80 PolarHBondContact O-OG 3.46Å; A66-S80 VanDerWaalsContact CA-OG 3.28Å; A66-S80 WeakPolarHBondContact CA-OG 3.34Å; A66-S80 PolarHBondContact N-OG 3.38Å
81	T	81	Confident	85.6	Confident	49 Å²	49	63.3 Å²	63.3	30%	0.301	34%	0.34	S	S	.	.	S	Bend	trans	-144.7	148.3	-179.6	44.4	0	0	0	0	109.4	R62 P79 D83 A84	R62-T81 PolarHBondContact NH1-OG1 3Å; P79-T81 VanDerWaalsContact C-N 3.25Å; P79-T81 PolarHBondContact O-N 3.18Å; T81-D83 WeakPolarHBondContact CB-OD1 3.2Å; T81-D83 PolarHBondContact O-N 2.97Å; T81-A84 WeakPolarHBondContact O-CB 3.36Å; T81-A84 PolarHBondContact O-N 3.19Å
82	R	73	Confident	85.8	Confident	213 Å²	213	62.7 Å²	62.7	80%	0.804	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-20.9	-177	-75.8	-174.5	176.8	176.4	-0.7	113.8	M94	R82-M94 VanDerWaalsContact O-CE 3.24Å; R82-M94 WeakPolarHBondContact O-CE 3.36Å
83	D	76	Confident	86.2	Confident	103 Å²	103	54.4 Å²	54.4	55%	0.551	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	16.6	175.8	58.9	-38	0	0	0	112	R62 T81	R62-D83 VanDerWaalsContact CZ-CG 3.44Å; R62-D83 VanDerWaalsContact CZ-O 3.27Å; R62-D83 IonicContact CZ-OD1 3.14Å; R62-D83 IonicContact CZ-OD2 3.63Å; R62-D83 IonicContact NE-OD2 3.69Å; R62-D83 PolarHBondContact NH1-O 3.24Å; R62-D83 IonicContact NH1-OD1 2.68Å; R62-D83 IonicContact NH1-OD2 3.4Å; R62-D83 PolarHBondContact NH2-O 3.4Å; R62-D83 IonicContact NH2-OD1 3.87Å; R62-D83 IonicContact NH2-OD2 2.81Å; R62-D83 PolarHBondContact NH2-OD2 3.08Å; T81-D83 WeakPolarHBondContact CB-OD1 3.2Å; T81-D83 PolarHBondContact O-N 2.97Å
84	A	83.1	Confident	86.3	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.293	C	S	.	.			trans	-70.4	130.3	169.8	0	0	0	0	0	110.6	R62 P79 T81 L86	R62-A84 VanDerWaalsContact NH1-CA 3.26Å; R62-A84 VanDerWaalsContact NH1-N 3.17Å; P79-A84 HydrophobicContact CB-CB 4.02Å; T81-A84 WeakPolarHBondContact O-CB 3.36Å; T81-A84 PolarHBondContact O-N 3.19Å; A84-L86 VanDerWaalsContact C-N 3.32Å; A84-L86 PolarHBondContact O-N 2.89Å; A84-L86 VanDerWaalsContact O-N 3.1Å
85	Y	86.6	Confident	86.3	Confident	80 Å²	80	60.3 Å²	60.3	31%	0.314	31%	0.306	S	S	.	.			trans	-85.1	82.5	173.4	-174.1	-106.1	0	0	0	109.6	H65 E87 R106 G108	H65-Y85 PolarHBondContact NE2-O 3.06Å; H65-Y85 VanDerWaalsContact NE2-O 3.14Å; Y85-E87 HydrophobicContact CE2-CG 4.24Å; Y85-E87 WeakPolarHBondContact CE2-OE1 3.44Å; Y85-E87 VanDerWaalsContact CZ-OE1 3.25Å; Y85-E87 PolarHBondContact OH-OE1 3.27Å; Y85-E87 PolarHBondContact OH-OE2 2.83Å; Y85-R106 HydrophobicContact CE1-CG 4.35Å; Y85-G108 VanDerWaalsContact CD1-C 3.47Å; Y85-G108 WeakPolarHBondContact CD1-O 3.37Å; Y85-G108 PolarHBondContact O-N 3.05Å
86	L	91.5	Very high	86.2	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	130.4	-177.2	-172	70.6	0	0	0	108.3	A66 L77 P79 A84 Q92 L93 R106 I107	A66-L86 HydrophobicContact CB-CD1 3.99Å; A66-L86 HydrophobicContact CB-CD2 3.92Å; L77-L86 HydrophobicContact CD1-CD1 4.21Å; L77-L86 HydrophobicContact CD1-CD2 4.04Å; L77-L86 HydrophobicContact CD2-CD1 4.2Å; L77-L86 HydrophobicContact CD2-CD2 4.23Å; L77-L86 HydrophobicContact CD2-CG 4.28Å; L77-L86 HydrophobicContact CG-CD2 3.96Å; P79-L86 HydrophobicContact CB-CD2 3.82Å; P79-L86 HydrophobicContact CG-CD2 4.49Å; A84-L86 VanDerWaalsContact C-N 3.32Å; A84-L86 PolarHBondContact O-N 2.89Å; A84-L86 VanDerWaalsContact O-N 3.1Å; L86-Q92 CarbonylContact O-C 3.58Å; L86-Q92 WeakPolarHBondContact O-CA 3.47Å; L86-L93 HydrophobicContact CB-CB 4.32Å; L86-L93 HydrophobicContact CD2-CB 4.04Å; L86-L93 HydrophobicContact CD2-CD1 4.03Å; L86-L93 HydrophobicContact CG-CB 4.19Å; L86-L93 HydrophobicContact CG-CD1 4.08Å; L86-L93 PolarHBondContact O-N 2.75Å; L86-R106 WeakPolarHBondContact CA-O 3.44Å; L86-I107 HydrophobicContact CD1-CB 4.26Å; L86-I107 HydrophobicContact CD1-CD1 4.39Å; L86-I107 HydrophobicContact CD1-CG1 3.8Å; L86-I107 HydrophobicContact CD1-CG2 4.09Å
87	E	90.9	Very high	86.1	Confident	26 Å²	26	65.8 Å²	65.8	12%	0.121	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	145.2	178.8	-53.8	178.2	156	0	0	112	Y85 H91 I105 R106	Y85-E87 HydrophobicContact CE2-CG 4.24Å; Y85-E87 WeakPolarHBondContact CE2-OE1 3.44Å; Y85-E87 VanDerWaalsContact CZ-OE1 3.25Å; Y85-E87 PolarHBondContact OH-OE1 3.27Å; Y85-E87 PolarHBondContact OH-OE2 2.83Å; E87-H91 CarbonylContact C-O 3.57Å; E87-H91 WeakPolarHBondContact CA-O 3.45Å; E87-I105 CarbonylContact O-C 3.59Å; E87-I105 WeakPolarHBondContact O-CA 3.23Å; E87-R106 HydrophobicContact CB-CB 4.23Å; E87-R106 PolarHBondContact N-O 2.81Å; E87-R106 PolarHBondContact O-N 2.58Å; E87-R106 IonicContact OE2-CZ 3.8Å; E87-R106 IonicContact OE2-NH1 2.62Å; E87-R106 PolarHBondContact OE2-NH1 2.91Å
88	V	92.1	Very high	85.9	Confident	2 Å²	2	70.4 Å²	70.4	1%	0.012	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	127.2	166.2	160.7	0	0	0	0	109.6	L77 G90 H91 L93 E97 L99 H104 I105	L77-V88 HydrophobicContact CD2-CG2 3.7Å; V88-G90 PolarHBondContact O-N 2.85Å; V88-H91 PolarHBondContact N-O 3.38Å; V88-H91 PolarHBondContact O-N 3.3Å; V88-L93 HydrophobicContact CB-CD1 3.96Å; V88-L93 HydrophobicContact CG2-CD1 3.53Å; V88-E97 WeakPolarHBondContact CG1-OE2 3.35Å; V88-L99 HydrophobicContact CG2-CD2 3.76Å; V88-H104 CarbonylContact C-O 3.56Å; V88-H104 WeakPolarHBondContact CA-O 3.43Å; V88-I105 HydrophobicContact CG2-CG1 3.91Å
89	N	87.9	Confident	85.9	Confident	84 Å²	84	68.8 Å²	68.8	45%	0.449	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	28.2	-178.3	-62	-42.2	0	0	0	114.3	D103 H104	N89-D103 PolarHBondContact ND2-OD1 3.45Å; N89-H104 PolarHBondContact N-O 3.34Å; N89-H104 PolarHBondContact OD1-N 2.69Å
90	G	81.3	Confident	85.8	Confident	50 Å²	50	76.6 Å²	76.6	52%	0.515	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.8	6.4	-177.6	0	0	0	0	0	115.6	V88	V88-G90 PolarHBondContact O-N 2.85Å
91	H	84.8	Confident	85.7	Confident	142 Å²	142	77.5 Å²	77.5	66%	0.657	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104	132.2	172.4	-54.6	117.2	0	0	0	110.8	E87 V88	E87-H91 CarbonylContact C-O 3.57Å; E87-H91 WeakPolarHBondContact CA-O 3.45Å; V88-H91 PolarHBondContact N-O 3.38Å; V88-H91 PolarHBondContact O-N 3.3Å
92	Q	87.2	Confident	85.8	Confident	106 Å²	106	76.5 Å²	76.5	50%	0.495	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	128.4	179.3	-164	-173.9	1.8	0	0	111.8	L86 M94	L86-Q92 CarbonylContact O-C 3.58Å; L86-Q92 WeakPolarHBondContact O-CA 3.47Å; Q92-M94 HydrophobicContact CG-CE 3.92Å
93	L	86.3	Confident	86.7	Confident	13 Å²	13	67.2 Å²	67.2	7%	0.068	34%	0.342	C	S	.	.			trans	-86	115.3	-176.4	-86.7	166.5	0	0	0	112.3	L77 P79 L86 V88 Q95 E97	L77-L93 HydrophobicContact CD2-CD1 3.65Å; L77-L93 HydrophobicContact CG-CD1 4.06Å; P79-L93 WeakPolarHBondContact CG-O 3.37Å; L86-L93 HydrophobicContact CB-CB 4.32Å; L86-L93 HydrophobicContact CD2-CB 4.04Å; L86-L93 HydrophobicContact CD2-CD1 4.03Å; L86-L93 HydrophobicContact CG-CB 4.19Å; L86-L93 HydrophobicContact CG-CD1 4.08Å; L86-L93 PolarHBondContact O-N 2.75Å; V88-L93 HydrophobicContact CB-CD1 3.96Å; V88-L93 HydrophobicContact CG2-CD1 3.53Å; L93-Q95 VanDerWaalsContact CD2-O 3.3Å; L93-Q95 WeakPolarHBondContact CD2-O 3.41Å; L93-E97 HydrophobicContact CD2-CB 3.55Å
94	M	79.3	Confident	87.4	Confident	100 Å²	100	65.2 Å²	65.2	49%	0.493	33%	0.33	S	S	.	.	S	Bend	trans	-103.7	-8.4	174.6	-64.9	-73.1	104.7	0	0	113.5	R82 Q92	R82-M94 VanDerWaalsContact O-CE 3.24Å; R82-M94 WeakPolarHBondContact O-CE 3.36Å; Q92-M94 HydrophobicContact CG-CE 3.92Å
95	Q	82.3	Confident	87.9	Confident	154 Å²	154	65.3 Å²	65.3	72%	0.72	33%	0.33	S	S	*	.	S	Bend	trans	-152.3	167.7	-174.9	-177.9	168.2	-9.9	0	0	109.2	P79 L93	P79-Q95 WeakPolarHBondContact CD-O 3.39Å; L93-Q95 VanDerWaalsContact CD2-O 3.3Å; L93-Q95 WeakPolarHBondContact CD2-O 3.41Å
96	T	89.9	Confident	88.1	Confident	74 Å²	74	64.7 Å²	64.7	45%	0.454	33%	0.327	S	S	.	.			trans	-57.2	131.7	172.4	-52.3	0	0	0	0	113.1	T76 L77 T78	T76-T96 HydrophobicContact CG2-CG2 4.18Å; L77-T96 WeakPolarHBondContact O-CA 2.89Å; T78-T96 VanDerWaalsContact CG2-OG1 3.32Å; T78-T96 WeakPolarHBondContact CG2-OG1 3.44Å; T78-T96 WeakPolarHBondContact OG1-CB 3.42Å; T78-T96 VanDerWaalsContact OG1-CG2 3.26Å; T78-T96 WeakPolarHBondContact OG1-CG2 3.35Å; T78-T96 PolarHBondContact OG1-OG1 3.02Å
97	E	91.1	Very high	88.1	Confident	77 Å²	77	64.8 Å²	64.8	36%	0.36	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	155.5	170.6	179.6	162.3	-140.5	0	0	111.4	T76 L77 V88 L93	T76-E97 CarbonylContact C-O 3.53Å; T76-E97 WeakPolarHBondContact CA-O 3.47Å; T76-E97 WeakPolarHBondContact CB-O 3.36Å; L77-E97 PolarHBondContact N-O 2.94Å; L77-E97 PolarHBondContact O-N 3.41Å; V88-E97 WeakPolarHBondContact CG1-OE2 3.35Å; L93-E97 HydrophobicContact CD2-CB 3.55Å
98	I	89.9	Confident	87.9	Confident	98 Å²	98	63.6 Å²	63.6	50%	0.503	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	120.4	175.7	-62.9	162.6	0	0	0	109.3	V74 T76	V74-I98 HydrophobicContact CG1-CG1 4.38Å; V74-I98 HydrophobicContact CG1-CG2 3.67Å; T76-I98 HydrophobicContact CG2-CB 4.4Å; T76-I98 HydrophobicContact CG2-CG1 3.72Å
99	L	91.1	Very high	87.3	Confident	10 Å²	10	66 Å²	66	5%	0.052	34%	0.342	C	S	.	.			trans	-79.7	146.9	-179.6	-62.9	177.4	0	0	0	112.2	V75 L77 V88 D103 I105 F115	V75-L99 HydrophobicContact CB-CB 4.48Å; V75-L99 HydrophobicContact CG1-CD1 3.97Å; V75-L99 PolarHBondContact O-N 2.87Å; L77-L99 HydrophobicContact CB-CD1 3.98Å; L77-L99 HydrophobicContact CB-CD2 4.12Å; L77-L99 HydrophobicContact CB-CG 4.02Å; L77-L99 HydrophobicContact CD2-CD2 4.26Å; V88-L99 HydrophobicContact CG2-CD2 3.76Å; L99-D103 WeakPolarHBondContact CA-OD2 3.49Å; L99-I105 HydrophobicContact CD1-CD1 3.64Å; L99-I105 HydrophobicContact CD2-CD1 3.93Å; L99-I105 HydrophobicContact CD2-CG1 3.98Å; L99-I105 HydrophobicContact CG-CD1 4.44Å; L99-F115 HydrophobicContact CB-CD1 3.61Å; L99-F115 HydrophobicContact CB-CE1 3.68Å; L99-F115 HydrophobicContact CB-CG 4.11Å; L99-F115 HydrophobicContact CB-CZ 4.23Å; L99-F115 HydrophobicContact CD1-CD2 4.28Å; L99-F115 HydrophobicContact CD1-CG 4.25Å
100	R	90	Very high	87.1	Confident	177 Å²	177	66.6 Å²	66.6	67%	0.668	35%	0.346	S	S	*	.			trans	-129.9	147.1	-174.4	-52.9	179.5	-174.2	-172.1	2.7	110.9	G102 D103 F115	R100-G102 PolarHBondContact O-N 3.34Å; R100-D103 PolarHBondContact N-OD2 3.04Å; R100-D103 WeakPolarHBondContact O-CB 3.32Å; R100-D103 VanDerWaalsContact O-CG 3.32Å; R100-D103 PolarHBondContact O-N 2.88Å; R100-F115 WeakPolarHBondContact O-CD1 3.48Å
101	D	85.5	Confident	87.4	Confident	69 Å²	69	66.4 Å²	66.4	37%	0.369	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52	113.3	179	-172	65.5	0	0	0	111.2	S116 T117	D101-S116 WeakPolarHBondContact OD1-CA 3.34Å; D101-S116 VanDerWaalsContact OD1-CB 3.26Å; D101-S116 WeakPolarHBondContact OD1-CB 3.38Å; D101-S116 PolarHBondContact OD1-OG 3.33Å; D101-T117 PolarHBondContact OD1-N 3.11Å
102	G	82.4	Confident	87.6	Confident	28 Å²	28	60.5 Å²	60.5	29%	0.289	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	116.5	-21.1	-175.8	0	0	0	0	0	115.8	R100 K114 F115	R100-G102 PolarHBondContact O-N 3.34Å; G102-K114 WeakPolarHBondContact O-CE 3.48Å; G102-F115 PolarHBondContact N-O 3.03Å
103	D	92.5	Very high	87.9	Confident	18 Å²	18	55.8 Å²	55.8	10%	0.096	28%	0.284	C	S	.	.			trans	-60.7	136.7	-170.1	-76	-20.3	0	0	0	113.8	N89 L99 R100 K114 F115	N89-D103 PolarHBondContact ND2-OD1 3.45Å; L99-D103 WeakPolarHBondContact CA-OD2 3.49Å; R100-D103 PolarHBondContact N-OD2 3.04Å; R100-D103 WeakPolarHBondContact O-CB 3.32Å; R100-D103 VanDerWaalsContact O-CG 3.32Å; R100-D103 PolarHBondContact O-N 2.88Å; D103-K114 CarbonylContact O-C 3.5Å; D103-K114 WeakPolarHBondContact O-CA 3.3Å; D103-F115 PolarHBondContact O-N 2.88Å
104	H	90.6	Very high	88.1	Confident	62 Å²	62	57.6 Å²	57.6	29%	0.287	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	120.1	174.1	-175.9	119.3	0	0	0	109.8	M20 V88 N89 R106 S112	M20-H104 WeakPolarHBondContact CE-CE1 3.34Å; M20-H104 VanDerWaalsContact CE-ND1 3.31Å; M20-H104 WeakPolarHBondContact CE-ND1 3.35Å; V88-H104 CarbonylContact C-O 3.56Å; V88-H104 WeakPolarHBondContact CA-O 3.43Å; N89-H104 PolarHBondContact N-O 3.34Å; N89-H104 PolarHBondContact OD1-N 2.69Å; H104-R106 VanDerWaalsContact NE2-CZ 3.33Å; H104-R106 PolarHBondContact NE2-NH2 2.98Å; H104-S112 VanDerWaalsContact NE2-CB 3.34Å; H104-S112 WeakPolarHBondContact NE2-CB 3.33Å; H104-S112 PolarHBondContact NE2-OG 2.88Å
105	I	93.5	Very high	88.7	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.005	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	136.2	179.8	-60.9	152.8	0	0	0	109	L17 L77 E87 V88 L99 I107 S112 F113 F115	L17-I105 HydrophobicContact CD2-CD1 3.52Å; L77-I105 HydrophobicContact CD2-CG1 4.22Å; L77-I105 HydrophobicContact CD2-CG2 3.73Å; E87-I105 CarbonylContact O-C 3.59Å; E87-I105 WeakPolarHBondContact O-CA 3.23Å; V88-I105 HydrophobicContact CG2-CG1 3.91Å; L99-I105 HydrophobicContact CD1-CD1 3.64Å; L99-I105 HydrophobicContact CD2-CD1 3.93Å; L99-I105 HydrophobicContact CD2-CG1 3.98Å; L99-I105 HydrophobicContact CG-CD1 4.44Å; I105-I107 HydrophobicContact CG2-CD1 4.14Å; I105-I107 HydrophobicContact CG2-CG1 3.85Å; I105-S112 CarbonylContact O-C 3.55Å; I105-S112 WeakPolarHBondContact O-CA 3.43Å; I105-F113 HydrophobicContact CB-CB 4.47Å; I105-F113 PolarHBondContact N-O 2.82Å; I105-F113 PolarHBondContact O-N 2.9Å; I105-F115 HydrophobicContact CD1-CB 3.86Å
106	R	89.1	Confident	88.9	Confident	67 Å²	67	45.9 Å²	45.9	25%	0.253	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	135.7	171.2	-179.3	175.4	-66	122.1	-1.8	110.1	Y85 L86 E87 H104 G108 H111 S112	Y85-R106 HydrophobicContact CE1-CG 4.35Å; L86-R106 WeakPolarHBondContact CA-O 3.44Å; E87-R106 HydrophobicContact CB-CB 4.23Å; E87-R106 PolarHBondContact N-O 2.81Å; E87-R106 PolarHBondContact O-N 2.58Å; E87-R106 IonicContact OE2-CZ 3.8Å; E87-R106 IonicContact OE2-NH1 2.62Å; E87-R106 PolarHBondContact OE2-NH1 2.91Å; H104-R106 VanDerWaalsContact NE2-CZ 3.33Å; H104-R106 PolarHBondContact NE2-NH2 2.98Å; R106-G108 VanDerWaalsContact CG-O 3.29Å; R106-G108 WeakPolarHBondContact CG-O 3.41Å; R106-H111 WeakPolarHBondContact CA-O 3.16Å; R106-S112 PolarHBondContact NE-OG 2.88Å
107	I	91.8	Very high	88.2	Confident	2 Å²	2	45.6 Å²	45.6	1%	0.01	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	108.3	-175.1	-42	-173.3	0	0	0	108.1	V40 L56 I61 L86 I105 H111 F113	V40-I107 HydrophobicContact CG1-CD1 3.97Å; V40-I107 HydrophobicContact CG1-CG2 4.25Å; L56-I107 HydrophobicContact CD1-CB 4.13Å; L56-I107 HydrophobicContact CD1-CD1 4.35Å; L56-I107 HydrophobicContact CD1-CG2 4.05Å; I61-I107 HydrophobicContact CD1-CG2 4.22Å; I61-I107 WeakPolarHBondContact CD1-O 3.24Å; L86-I107 HydrophobicContact CD1-CB 4.26Å; L86-I107 HydrophobicContact CD1-CD1 4.39Å; L86-I107 HydrophobicContact CD1-CG1 3.8Å; L86-I107 HydrophobicContact CD1-CG2 4.09Å; I105-I107 HydrophobicContact CG2-CD1 4.14Å; I105-I107 HydrophobicContact CG2-CG1 3.85Å; I107-H111 PolarHBondContact N-O 2.9Å; I107-H111 WeakPolarHBondContact O-CB 3.27Å; I107-F113 HydrophobicContact CB-CE2 4.43Å; I107-F113 HydrophobicContact CD1-CD2 4.07Å; I107-F113 HydrophobicContact CD1-CE2 3.78Å; I107-F113 HydrophobicContact CG1-CD2 4.15Å; I107-F113 HydrophobicContact CG1-CE2 3.95Å
108	G	87.1	Confident	86.7	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.01	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.9	-178.4	-163.2	0	0	0	0	0	112.3	Y85 R106	Y85-G108 VanDerWaalsContact CD1-C 3.47Å; Y85-G108 WeakPolarHBondContact CD1-O 3.37Å; Y85-G108 PolarHBondContact O-N 3.05Å; R106-G108 VanDerWaalsContact CG-O 3.29Å; R106-G108 WeakPolarHBondContact CG-O 3.41Å
109	A	80.6	Confident	84.9	Confident	53 Å²	53	41.5 Å²	41.5	44%	0.438	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-39.6	179	0	0	0	0	0	112.7
110	D	82.3	Confident	82.6	Confident	96 Å²	96	45.1 Å²	45.1	51%	0.513	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-20.6	-162.3	-54.9	-60.3	0	0	0	115.2
111	H	88.3	Confident	80.3	Confident	46 Å²	46	40.9 Å²	40.9	21%	0.213	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	115	-171.6	-51.6	-85.1	0	0	0	112.1	L56 D57 R106 I107 F113	L56-H111 HydrophobicContact CD1-CB 4.11Å; D57-H111 PolarHBondContact O-CE1 3Å; D57-H111 PolarHBondContact O-NE2 2.9Å; R106-H111 WeakPolarHBondContact CA-O 3.16Å; I107-H111 PolarHBondContact N-O 2.9Å; I107-H111 WeakPolarHBondContact O-CB 3.27Å; H111-F113 HydrophobicContact CB-CE2 3.68Å; H111-F113 HydrophobicContact CB-CZ 3.96Å
112	S	90	Very high	78.3	Confident	19 Å²	19	38.2 Å²	38.2	13%	0.133	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	136.9	175.9	-64.2	0	0	0	0	111.6	M20 H104 I105 R106	M20-S112 PolarHBondContact N-O 3.07Å; H104-S112 VanDerWaalsContact NE2-CB 3.34Å; H104-S112 WeakPolarHBondContact NE2-CB 3.33Å; H104-S112 PolarHBondContact NE2-OG 2.88Å; I105-S112 CarbonylContact O-C 3.55Å; I105-S112 WeakPolarHBondContact O-CA 3.43Å; R106-S112 PolarHBondContact NE-OG 2.88Å
113	F	92.8	Very high	76.3	Confident	6 Å²	6	42.1 Å²	42.1	3%	0.026	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	150.5	-175.2	-51.3	-93.6	0	0	0	111.3	L17 I18 V19 M20 I31 L56 I105 I107 H111	L17-F113 HydrophobicContact CB-CB 4.34Å; L17-F113 HydrophobicContact CB-CD1 4.34Å; L17-F113 HydrophobicContact CD2-CB 4.37Å; I18-F113 CarbonylContact O-C 3.6Å; I18-F113 VanDerWaalsContact O-CA 3.24Å; I18-F113 WeakPolarHBondContact O-CA 3.15Å; V19-F113 HydrophobicContact CG2-CD1 4.08Å; V19-F113 HydrophobicContact CG2-CE1 3.98Å; M20-F113 VanDerWaalsContact CE-O 3.3Å; M20-F113 WeakPolarHBondContact CE-O 3.38Å; I31-F113 HydrophobicContact CD1-CE1 4Å; L56-F113 HydrophobicContact CD1-CE2 4.26Å; L56-F113 HydrophobicContact CD1-CZ 4.16Å; L56-F113 HydrophobicContact CD2-CZ 4.03Å; I105-F113 HydrophobicContact CB-CB 4.47Å; I105-F113 PolarHBondContact N-O 2.82Å; I105-F113 PolarHBondContact O-N 2.9Å; I107-F113 HydrophobicContact CB-CE2 4.43Å; I107-F113 HydrophobicContact CD1-CD2 4.07Å; I107-F113 HydrophobicContact CD1-CE2 3.78Å; I107-F113 HydrophobicContact CG1-CD2 4.15Å; I107-F113 HydrophobicContact CG1-CE2 3.95Å; H111-F113 HydrophobicContact CB-CE2 3.68Å; H111-F113 HydrophobicContact CB-CZ 3.96Å
114	K	90.4	Very high	73.8	Confident	51 Å²	51	48 Å²	48	22%	0.222	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	124.5	168.6	-168.5	-177.9	-179.5	-169.2	0	110.1	I18 M20 L26 G102 D103	I18-K114 PolarHBondContact N-O 2.78Å; I18-K114 PolarHBondContact O-N 3.06Å; M20-K114 HydrophobicContact CE-CB 4.28Å; M20-K114 HydrophobicContact SD-CB 4.07Å; L26-K114 HydrophobicContact CD1-CD 4.42Å; L26-K114 HydrophobicContact CD2-CB 3.72Å; L26-K114 HydrophobicContact CD2-CD 3.95Å; L26-K114 HydrophobicContact CD2-CG 4.46Å; G102-K114 WeakPolarHBondContact O-CE 3.48Å; D103-K114 CarbonylContact O-C 3.5Å; D103-K114 WeakPolarHBondContact O-CA 3.3Å
115	F	92.2	Very high	71.7	Confident	1 Å²	1	49 Å²	49	0%	0.004	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	141.3	178.2	176.7	-109.6	0	0	0	111.7	P15 L17 L33 V75 L99 R100 G102 D103 I105 T117	P15-F115 HydrophobicContact CB-CE2 3.78Å; P15-F115 HydrophobicContact CB-CZ 3.97Å; L17-F115 HydrophobicContact CD2-CB 4.02Å; L17-F115 HydrophobicContact CD2-CD2 3.99Å; L17-F115 HydrophobicContact CD2-CG 4.49Å; L33-F115 HydrophobicContact CD1-CD2 4.29Å; L33-F115 HydrophobicContact CD1-CE2 4Å; V75-F115 HydrophobicContact CB-CE1 4.47Å; V75-F115 HydrophobicContact CB-CE2 3.93Å; V75-F115 HydrophobicContact CB-CZ 3.6Å; V75-F115 HydrophobicContact CG1-CE2 3.94Å; V75-F115 HydrophobicContact CG1-CZ 4.13Å; V75-F115 HydrophobicContact CG2-CE2 3.77Å; V75-F115 HydrophobicContact CG2-CZ 3.52Å; L99-F115 HydrophobicContact CB-CD1 3.61Å; L99-F115 HydrophobicContact CB-CE1 3.68Å; L99-F115 HydrophobicContact CB-CG 4.11Å; L99-F115 HydrophobicContact CB-CZ 4.23Å; L99-F115 HydrophobicContact CD1-CD2 4.28Å; L99-F115 HydrophobicContact CD1-CG 4.25Å; R100-F115 WeakPolarHBondContact O-CD1 3.48Å; G102-F115 PolarHBondContact N-O 3.03Å; D103-F115 PolarHBondContact O-N 2.88Å; I105-F115 HydrophobicContact CD1-CB 3.86Å; F115-T117 HydrophobicContact CE1-CG2 3.64Å; F115-T117 HydrophobicContact CZ-CG2 3.63Å
116	S	86	Confident	68.9	Low	7 Å²	7	55.8 Å²	55.8	5%	0.049	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	143.2	174.3	-178	0	0	0	0	112.7	P15 V16 D101 S118	P15-S116 WeakPolarHBondContact CA-O 3.37Å; V16-S116 PolarHBondContact N-O 3.4Å; V16-S116 PolarHBondContact O-N 2.6Å; D101-S116 WeakPolarHBondContact OD1-CA 3.34Å; D101-S116 VanDerWaalsContact OD1-CB 3.26Å; D101-S116 WeakPolarHBondContact OD1-CB 3.38Å; D101-S116 PolarHBondContact OD1-OG 3.33Å; S116-S118 PolarHBondContact OG-N 3.36Å
117	T	75.9	Confident	66	Low	68 Å²	68	57.1 Å²	57.1	42%	0.417	33%	0.328	S	S	.	.	S	Bend	trans	-105.7	-6.2	179.1	65.5	0	0	0	0	113.3	P15 D101 F115	P15-T117 HydrophobicContact CB-CG2 4.31Å; D101-T117 PolarHBondContact OD1-N 3.11Å; F115-T117 HydrophobicContact CE1-CG2 3.64Å; F115-T117 HydrophobicContact CZ-CG2 3.63Å
118	S	59.3	Low	63.2	Low	42 Å²	42	62.2 Å²	62.2	29%	0.294	36%	0.359	S	S	.	.			trans	-122.6	122.9	-175.5	-176.7	0	0	0	0	113.3	S116 S120 Q121	S116-S118 PolarHBondContact OG-N 3.36Å; S118-S120 PolarHBondContact O-N 3.03Å; S118-S120 VanDerWaalsContact O-N 3.14Å; S118-S120 PolarHBondContact OG-N 2.87Å; S118-S120 PolarHBondContact OG-OG 3.11Å; S118-Q121 PolarHBondContact O-N 3.14Å
119	S	51.5	Low	60.5	Low	48 Å²	48	69.9 Å²	69.9	34%	0.336	40%	0.4	S	S	.	.	H	α-helix	trans	-62.6	-17.6	175.8	53.1	0	0	0	0	113.8	N13 Q121 A122	N13-S119 WeakPolarHBondContact OD1-CB 3.23Å; N13-S119 PolarHBondContact OD1-OG 3.3Å; S119-Q121 PolarHBondContact O-N 2.9Å; S119-A122 PolarHBondContact O-N 2.69Å
120	S	41.8	Very low	58	Low	85 Å²	85	75.4 Å²	75.4	59%	0.594	42%	0.421	S	S	*	.	H	α-helix	trans	-64.8	-33.4	-178.9	-51.6	0	0	0	0	114.1	S118	S118-S120 PolarHBondContact O-N 3.03Å; S118-S120 VanDerWaalsContact O-N 3.14Å; S118-S120 PolarHBondContact OG-N 2.87Å; S118-S120 PolarHBondContact OG-OG 3.11Å
121	Q	43	Very low	55.4	Low	88 Å²	88	76.1 Å²	76.1	41%	0.411	43%	0.433	S	S	.	.	H	α-helix	trans	-77.4	-29.1	-179.5	-151.4	177.3	120.5	0	0	111.6	S118 S119	S118-Q121 PolarHBondContact O-N 3.14Å; S119-Q121 PolarHBondContact O-N 2.9Å
122	A	43.8	Very low	52.5	Low	14 Å²	14	81.4 Å²	81.4	12%	0.116	46%	0.463	C	S	.	.	H	α-helix	trans	-73.1	-35.4	-176.9	0	0	0	0	0	113.8	R30 S119 Q124 I125	R30-A122 VanDerWaalsContact CZ-CB 3.48Å; S119-A122 PolarHBondContact O-N 2.69Å; A122-Q124 PolarHBondContact O-N 2.67Å; A122-I125 PolarHBondContact O-N 2.9Å
123	N	39.8	Very low	49.5	Very low	110 Å²	110	85.9 Å²	85.9	59%	0.588	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-11.4	-177.3	-76	-11.9	0	0	0	114.1	I125 S127	N123-I125 VanDerWaalsContact C-N 3.32Å; N123-I125 PolarHBondContact O-N 3.48Å; N123-S127 PolarHBondContact O-OG 3.21Å
124	Q	40.5	Very low	46.4	Very low	140 Å²	140	93.1 Å²	93.1	65%	0.654	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-27.4	176.3	-69.6	-171.6	-14.8	0	0	112.9	A122 N126 S127	A122-Q124 PolarHBondContact O-N 2.67Å; Q124-N126 VanDerWaalsContact C-N 3.27Å; Q124-N126 PolarHBondContact O-N 3.22Å; Q124-S127 WeakPolarHBondContact O-CB 3.43Å; Q124-S127 PolarHBondContact O-N 3.06Å; Q124-S127 VanDerWaalsContact O-N 3.09Å
125	I	45.1	Very low	43.3	Very low	85 Å²	85	98.4 Å²	98.4	44%	0.436	56%	0.559	S	S	.	*	G	3₁₀ helix	trans	-65.6	-31	-178.2	-58.4	178.5	0	0	0	111.7	A122 N123 S127	A122-I125 PolarHBondContact O-N 2.9Å; N123-I125 VanDerWaalsContact C-N 3.32Å; N123-I125 PolarHBondContact O-N 3.48Å; I125-S127 PolarHBondContact O-N 2.84Å
126	N	35.8	Very low	40.3	Very low	143 Å²	143	108.7 Å²	108.7	77%	0.765	60%	0.598	S	S	*	*	G	3₁₀ helix	trans	-80.1	2.1	177.2	-73.5	-8.9	0	0	0	114	Q124	Q124-N126 VanDerWaalsContact C-N 3.27Å; Q124-N126 PolarHBondContact O-N 3.22Å
127	S	29.1	Very low	37.4	Very low	94 Å²	94	116.4 Å²	116.4	66%	0.657	63%	0.633	S	S	*	*	G	3₁₀ helix	trans	-101.9	6.4	-170.8	-60.6	0	0	0	0	114.9	N123 Q124 I125	N123-S127 PolarHBondContact O-OG 3.21Å; Q124-S127 WeakPolarHBondContact O-CB 3.43Å; Q124-S127 PolarHBondContact O-N 3.06Å; Q124-S127 VanDerWaalsContact O-N 3.09Å; I125-S127 PolarHBondContact O-N 2.84Å
128	T	32.9	Very low	34.9	Very low	109 Å²	109	121.6 Å²	121.6	67%	0.669	65%	0.649	S	S	*	*	S	Bend	trans	-138.6	80	177.9	54.5	0	0	0	0	112.5
129	N	29.9	Very low	33.2	Very low	163 Å²	163	127.3 Å²	127.3	87%	0.872	67%	0.672	S	S	*	*			trans	175.5	65.2	143.8	-90.5	-27.6	0	0	0	113.1
130	I	28.5	Very low	32	Very low	169 Å²	169	132 Å²	132	87%	0.867	69%	0.688	S	S	*	*			trans	-128.7	89.1	154.4	-58	-177.9	0	0	0	108.1
131	S	27.3	Very low	31.2	Very low	111 Å²	111	135.2 Å²	135.2	78%	0.776	69%	0.694	S	S	*	*			trans	-160	141.4	166.8	-78.7	0	0	0	0	109.6
132	N	26.2	Very low	30.2	Very low	157 Å²	157	135.7 Å²	135.7	84%	0.84	70%	0.703	S	S	*	*			trans	62.3	74.1	168.7	-58.6	-14	0	0	0	117.7
133	S	27.5	Very low	29.2	Very low	113 Å²	113	144.5 Å²	144.5	79%	0.79	74%	0.739	S	S	*	*			trans	-66.9	120.1	137.8	55.1	0	0	0	0	109.7
134	N	27.2	Very low	28.3	Very low	158 Å²	158	149.5 Å²	149.5	85%	0.845	75%	0.751	S	S	*	*			trans	-163	169.6	149.1	-113.2	-29.9	0	0	0	115.5
135	Q	27.1	Very low	28.4	Very low	161 Å²	161	148.3 Å²	148.3	75%	0.752	76%	0.755	S	S	*	*			trans	-85.9	153.3	-157.9	-56	169.7	2.8	0	0	115.1
136	R	27.3	Very low	27.4	Very low	218 Å²	218	151.7 Å²	151.7	82%	0.823	77%	0.769	S	S	*	*			trans	16.5	126.9	146.3	-50.7	174.8	-171.6	170.7	2.3	118.3
137	H	26.5	Very low	26.9	Very low	169 Å²	169	152.7 Å²	152.7	78%	0.782	77%	0.772	S	S	*	*				-171.4	173.6	101.9	-115.3	-86.4	0	0	0	114.5
138	F	22.8	Very low	26.9	Very low	176 Å²	176	152.5 Å²	152.5	77%	0.772	78%	0.776	S	S	*	*			trans	-46.4	160.8	164.4	-84.7	-125.6	0	0	0	112.6
139	Q	24.6	Very low	26.6	Very low	163 Å²	163	153.9 Å²	153.9	76%	0.762	78%	0.779	S	S	*	*			cis	-162	170	48.8	-152.5	164.9	3.6	0	0	114.5
140	Q	24.9	Very low	26.5	Very low	145 Å²	145	149.1 Å²	149.1	68%	0.678	76%	0.758	S	S	*	*			trans	-25.2	154.7	165.6	-65.3	171.4	-2.5	0	0	117.6
141	Q	24.7	Very low	26.3	Very low	153 Å²	153	151.6 Å²	151.6	72%	0.715	76%	0.757	S	S	*	*			cis	-156.1	-156.9	7	-125.6	178.8	109.1	0	0	109.5
142	T	23	Very low	26.3	Very low	99 Å²	99	151 Å²	151	61%	0.607	76%	0.759	S	S	*	*			cis	-164.4	163.7	19.8	-20.1	0	0	0	0	111.8
143	F	21.8	Very low	26.7	Very low	199 Å²	199	149.2 Å²	149.2	87%	0.873	76%	0.758	S	S	*	*			trans	62.5	127.6	158.2	-83.4	-71.6	0	0	0	123.9
144	Y	21.1	Very low	26.7	Very low	215 Å²	215	151 Å²	151	84%	0.843	77%	0.765	S	S	*	*			trans	-94.7	-174.4	162.9	-83.9	-84.9	0	0	0	110
145	P	42.9	Very low	27.1	Very low	114 Å²	114	147.7 Å²	147.7	74%	0.74	76%	0.759	S	S	*	*			cis	-116.5	-169.3	4.4	10.6	18.1	0	0	0	113.4
146	E	24.3	Very low	27	Very low	156 Å²	156	152 Å²	152	73%	0.729	77%	0.769	S	S	*	*			cis	-160.6	134.1	36.5	-162.5	166.3	-165.7	0	0	115
147	M	26	Very low	26.9	Very low	165 Å²	165	147.6 Å²	147.6	81%	0.813	77%	0.77	S	S	*	*			trans	34.9	158.5	147.6	-58.4	-170	-139.6	0	0	123
148	A	28.3	Very low	26.9	Very low	90 Å²	90	144 Å²	144	74%	0.744	77%	0.769	S	S	*	*			cis	175.4	170.4	-22	0	0	0	0	0	107.5
149	D	26.8	Very low	28.2	Very low	138 Å²	138	141 Å²	141	74%	0.738	77%	0.767	S	S	*	*			cis	-166.2	165.3	-38.9	177.1	43.6	0	0	0	108.5
150	S	27.5	Very low	28.3	Very low	62 Å²	62	138.2 Å²	138.2	43%	0.434	77%	0.766	S	S	.	*			trans	68.5	117.6	151.8	-86.6	0	0	0	0	122.9
151	R	25.5	Very low	28.4	Very low	222 Å²	222	138.3 Å²	138.3	84%	0.838	77%	0.771	S	S	*	*				72.8	126.4	118.1	-70.9	-178	167.7	102	-8.5	123.4
152	A	26.5	Very low	28.4	Very low	99 Å²	99	140.9 Å²	140.9	82%	0.818	78%	0.775	S	S	*	*				80.4	156.5	126.1	0	0	0	0	0	120.8
153	S	34.8	Very low	28.4	Very low	119 Å²	119	141.9 Å²	141.9	83%	0.832	79%	0.785	S	S	*	*			trans	-94	143	-164.1	-36.7	0	0	0	0	114.1
154	T	27.3	Very low	28.7	Very low	151 Å²	151	137.8 Å²	137.8	93%	0.926	78%	0.781	S	S	*	*			trans	-152.2	158.7	157.6	-9.2	0	0	0	0	110.4
155	A	35.1	Very low	29.1	Very low	87 Å²	87	135.5 Å²	135.5	72%	0.719	78%	0.783	S	S	*	*			trans	-131.1	138.8	-175.9	0	0	0	0	0	112.9
156	R	25.4	Very low	29	Very low	253 Å²	253	135.3 Å²	135.3	96%	0.955	78%	0.781	S	S	*	*			trans	-178.9	170.4	152.5	-98.2	156.1	-158.8	-147.5	5.4	109.7
157	C	25.4	Very low	29.3	Very low	125 Å²	125	136.2 Å²	136.2	85%	0.845	79%	0.786	S	S	*	*			trans	-124.7	161.9	-156.7	-49.7	0	0	0	0	115.4
158	A	25.9	Very low	29.2	Very low	93 Å²	93	137.2 Å²	137.2	77%	0.769	79%	0.788	S	S	*	*			trans	73.8	161	150.8	0	0	0	0	0	119.1
159	P	49.8	Very low	29.3	Very low	112 Å²	112	138.8 Å²	138.8	73%	0.727	78%	0.784	S	S	*	*			cis	-137.1	-174.7	-26.6	32.6	-11.9	0	0	0	115.3
160	S	27	Very low	29.3	Very low	106 Å²	106	138.5 Å²	138.5	74%	0.741	78%	0.783	S	S	*	*			trans	76	154.5	151.9	97.2	0	0	0	0	118.9
161	D	26.4	Very low	29.4	Very low	147 Å²	147	145.9 Å²	145.9	79%	0.786	80%	0.803	S	S	*	*			cis	-158.2	-176.2	-13.6	-128.7	-34.8	0	0	0	115.1
162	Y	25.9	Very low	29.6	Very low	206 Å²	206	145.8 Å²	145.8	81%	0.808	80%	0.804	S	S	*	*			trans	-63	165.2	-173.3	-92.3	-99.7	0	0	0	120.9
163	C	23.7	Very low	30.5	Very low	121 Å²	121	146.3 Å²	146.3	82%	0.818	80%	0.799	S	S	*	*			trans	-152.6	165.3	144.1	-91.5	0	0	0	0	110.9
164	S	26.3	Very low	31	Very low	112 Å²	112	146.6 Å²	146.6	78%	0.783	80%	0.798	S	S	*	*				-157.3	158.9	-68.1	-96.1	0	0	0	0	111.6
165	L	31	Very low	31.1	Very low	168 Å²	168	144 Å²	144	88%	0.88	79%	0.786	S	S	*	*			trans	-85.2	169.2	-178.3	-71.9	164.5	0	0	0	113.9
166	P	40.9	Very low	30.6	Very low	109 Å²	109	147.9 Å²	147.9	71%	0.708	79%	0.791	S	S	*	*				-144.1	170.7	115.6	38.9	-26.5	0	0	0	113.8
167	Q	30	Very low	30.7	Very low	176 Å²	176	141.3 Å²	141.3	82%	0.822	78%	0.784	S	S	*	*			cis	-172.8	141.6	-25.1	-103.2	176	-20.3	0	0	107.8
168	Q	24.5	Very low	30.6	Very low	185 Å²	185	139 Å²	139	86%	0.864	78%	0.782	S	S	*	*				177.9	112.5	129.9	-100.1	179.4	-0.5	0	0	114.6
169	N	29.6	Very low	30.5	Very low	124 Å²	124	139.9 Å²	139.9	66%	0.663	78%	0.782	S	S	*	*				33.3	144.5	128.8	-55.3	63	0	0	0	121.4
170	D	27.3	Very low	29.2	Very low	131 Å²	131	139.7 Å²	139.7	70%	0.701	78%	0.783	S	S	*	*			cis	-170.5	177.2	-9	-113	-28.3	0	0	0	113.8
171	Y	28	Very low	29.1	Very low	217 Å²	217	140.6 Å²	140.6	85%	0.851	78%	0.784	S	S	*	*			trans	95.6	135.8	163.9	-84.5	-85.9	0	0	0	121.3
172	Y	31.5	Very low	28.9	Very low	220 Å²	220	138.5 Å²	138.5	86%	0.863	78%	0.781	S	S	*	*			trans	-145.7	-176.3	-174.3	-101.9	-68.8	0	0	0	107.1
173	P	44.4	Very low	28.7	Very low	110 Å²	110	133.8 Å²	133.8	71%	0.714	78%	0.778	S	S	*	*			cis	-143.8	-150.8	23.9	44.1	-21.6	0	0	0	113.8
174	P	44.6	Very low	28.8	Very low	125 Å²	125	132.6 Å²	132.6	81%	0.812	77%	0.771	S	S	*	*			cis	-115.2	-160.4	-44.3	22.6	0.1	0	0	0	112
175	S	29.9	Very low	28.9	Very low	98 Å²	98	137.6 Å²	137.6	69%	0.685	77%	0.773	S	S	*	*			trans	-124.1	169.1	-164.8	56.8	0	0	0	0	115.6
176	M	24.6	Very low	28.6	Very low	167 Å²	167	136.4 Å²	136.4	82%	0.823	76%	0.763	S	S	*	*			trans	-167.5	156.3	134	-103.4	-52.6	106.7	0	0	114.9
177	S	27.3	Very low	27.8	Very low	115 Å²	115	138.2 Å²	138.2	80%	0.804	76%	0.762	S	S	*	*			trans	-52.2	157	-173.5	-45.3	0	0	0	0	119.7
178	G	23.3	Very low	27.5	Very low	77 Å²	77	136 Å²	136	79%	0.794	76%	0.756	S	S	*	*			trans	-179.8	152.3	163.8	0	0	0	0	0	114
179	S	23.7	Very low	27.7	Very low	112 Å²	112	135.1 Å²	135.1	78%	0.783	76%	0.756	S	S	*	*			trans	-124.2	144.8	-173.6	-60.9	0	0	0	0	113.8
180	S	24.2	Very low	27.5	Very low	107 Å²	107	135.8 Å²	135.8	75%	0.748	76%	0.757	S	S	*	*			trans	75.4	151.2	142.3	69.7	0	0	0	0	121.9
181	V	24	Very low	27.4	Very low	126 Å²	126	138.4 Å²	138.4	76%	0.764	77%	0.767	S	S	*	*			trans	74.1	137.9	159.9	-142.7	0	0	0	0	121.2
182	S	22.2	Very low	27.5	Very low	102 Å²	102	134.7 Å²	134.7	71%	0.713	76%	0.757	S	S	*	*			trans	66.2	111.3	148.1	46.2	0	0	0	0	123.4
183	S	22.4	Very low	27.1	Very low	108 Å²	108	130.1 Å²	130.1	76%	0.755	76%	0.758	S	S	*	*				70.2	129.8	109.7	-155.5	0	0	0	0	122.8
184	S	24.5	Very low	26.3	Very low	95 Å²	95	131.6 Å²	131.6	66%	0.664	76%	0.76	S	S	*	*			trans	82	106.6	142.7	-65.4	0	0	0	0	123.2
185	R	28.2	Very low	25.4	Very low	217 Å²	217	132.6 Å²	132.6	82%	0.819	76%	0.758	S	S	*	*				76.5	148.3	123.3	-70.8	-173.8	173	-175.2	-1.3	122.6
186	Q	24.8	Very low	25.2	Very low	143 Å²	143	134.9 Å²	134.9	67%	0.668	76%	0.763	S	S	*	*			trans	67	148.5	160.3	-76.5	160.3	-111.6	0	0	116.6
187	E	24.3	Very low	25.3	Very low	147 Å²	147	134.3 Å²	134.3	69%	0.687	76%	0.761	S	S	*	*			cis	-130.4	138	0.1	-110.4	129	-137.4	0	0	108.8
188	D	24.8	Very low	25.4	Very low	131 Å²	131	136 Å²	136	70%	0.701	76%	0.761	S	S	*	*				51.6	110.6	93.5	-85.2	-44.2	0	0	0	116.6
189	L	27.3	Very low	25.7	Very low	165 Å²	165	137 Å²	137	86%	0.864	75%	0.753	S	S	*	*				-171	143.7	111.8	-101.8	166.4	0	0	0	114.8
190	M	26.4	Very low	26	Very low	138 Å²	138	137.8 Å²	137.8	68%	0.68	76%	0.755	S	S	*	*			trans	-70.4	157.5	-166.9	-51.2	163.5	-170.5	0	0	116
191	M	25.8	Very low	26.2	Very low	186 Å²	186	142.8 Å²	142.8	92%	0.916	76%	0.759	S	S	*	*				-151.3	156.1	121.3	-107.5	-58.1	177.7	0	0	111
192	H	28.2	Very low	26.3	Very low	139 Å²	139	141.8 Å²	141.8	64%	0.644	76%	0.758	S	S	*	*			trans	-118	153.3	-170.7	-64.1	9.7	0	0	0	113
193	S	25.2	Very low	26.5	Very low	125 Å²	125	143.3 Å²	143.3	87%	0.874	76%	0.763	S	S	*	*			trans	-166.8	151.8	133.3	-86.2	0	0	0	0	111.8
194	N	26.2	Very low	26.9	Very low	141 Å²	141	147.1 Å²	147.1	75%	0.754	77%	0.766	S	S	*	*			trans	-98.9	143.4	-163.6	-60.5	-32.8	0	0	0	113.8
195	N	25.2	Very low	27.1	Very low	145 Å²	145	147.9 Å²	147.9	78%	0.775	77%	0.771	S	S	*	*				165.8	118.6	114.4	-84	-23	0	0	0	111.8
196	N	26.3	Very low	27.3	Very low	147 Å²	147	142.2 Å²	142.2	79%	0.786	77%	0.771	S	S	*	*				171.9	132.1	125	-89.8	-30.9	0	0	0	113.6
197	I	27.7	Very low	28.4	Very low	154 Å²	154	142.9 Å²	142.9	79%	0.79	77%	0.774	S	S	*	*			trans	36.1	102	136.4	-49.1	172.4	0	0	0	117
198	L	28.3	Very low	29.6	Very low	152 Å²	152	144.6 Å²	144.6	80%	0.796	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-75.5	147.7	161.8	-80	162.2	0	0	0	111.4
199	P	29.3	Very low	31.2	Very low	98 Å²	98	142.8 Å²	142.8	64%	0.636	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-75.4	159	176.1	32.6	-35.7	0	0	0	112.4
200	P	29.7	Very low	33	Very low	127 Å²	127	136.6 Å²	136.6	83%	0.825	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-71.8	129.8	179.5	29.2	-34.5	0	0	0	112.2	S202	P200-S202 PolarHBondContact O-N 2.86Å
201	Y	29.6	Very low	34.8	Very low	213 Å²	213	136.9 Å²	136.9	84%	0.835	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-69.1	125.2	171.8	-80.7	-95.4	0	0	0	111.1
202	S	25.3	Very low	37.1	Very low	105 Å²	105	129.6 Å²	129.6	73%	0.734	71%	0.709	S	S	*	*			trans	-91.3	102.5	168.5	-172.4	0	0	0	0	109.9	P200 K204	P200-S202 PolarHBondContact O-N 2.86Å; S202-K204 VanDerWaalsContact C-N 3.32Å; S202-K204 PolarHBondContact O-N 3.43Å
203	T	27.7	Very low	39.3	Very low	134 Å²	134	125.2 Å²	125.2	82%	0.822	69%	0.693	S	S	*	*			trans	-80.1	77	175.4	52.9	0	0	0	0	111	S205	T203-S205 PolarHBondContact O-N 3.35Å
204	K	31	Very low	41.9	Very low	188 Å²	188	119.9 Å²	119.9	82%	0.817	66%	0.655	S	S	*	*			trans	-72.3	117.3	155.9	-76.5	-172.2	175.9	-176.8	0	108.1	S202 A206	S202-K204 VanDerWaalsContact C-N 3.32Å; S202-K204 PolarHBondContact O-N 3.43Å; K204-A206 PolarHBondContact O-N 2.88Å; K204-A206 VanDerWaalsContact O-N 3.13Å
205	S	28	Very low	44.6	Very low	111 Å²	111	115.2 Å²	115.2	78%	0.776	63%	0.633	S	S	*	*			trans	-65.9	107.6	169.9	51.6	0	0	0	0	109.5	T203 Q207	T203-S205 PolarHBondContact O-N 3.35Å; S205-Q207 PolarHBondContact O-N 3.14Å
206	A	32.9	Very low	47.6	Very low	98 Å²	98	108.4 Å²	108.4	81%	0.81	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-66	120.3	165.3	0	0	0	0	0	108.2	K204	K204-A206 PolarHBondContact O-N 2.88Å; K204-A206 VanDerWaalsContact O-N 3.13Å
207	Q	46.7	Very low	50.4	Low	157 Å²	157	106.3 Å²	106.3	73%	0.734	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-70.9	137	167.1	-70.9	175.7	-45.5	0	0	108.4	S205	S205-Q207 PolarHBondContact O-N 3.14Å
208	E	49.1	Very low	53.1	Low	182 Å²	182	99.7 Å²	99.7	85%	0.85	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-64.9	146.6	175	-66.4	-174.2	137.6	0	0	110.6
209	P	59.3	Low	55.4	Low	93 Å²	93	93.2 Å²	93.2	60%	0.604	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-64.7	143.5	179.8	27.7	-35	0	0	0	111.1	Q211	P209-Q211 PolarHBondContact O-N 3.39Å
210	L	65.4	Low	57.4	Low	36 Å²	36	94.4 Å²	94.4	19%	0.188	52%	0.52	C	S	.	.			trans	-73.1	89.3	-175.2	-173.7	72.7	0	0	0	112.2	Y253 L304 R307 V537	L210-Y253 PolarHBondContact O-OH 3.48Å; L210-L304 HydrophobicContact CD2-CD2 3.99Å; L210-R307 HydrophobicContact CD2-CB 4.06Å; L210-V537 HydrophobicContact CD1-CG1 3.36Å; L210-V537 HydrophobicContact CD2-CG1 3.58Å; L210-V537 HydrophobicContact CG-CG1 4.11Å
211	Q	64.9	Low	59.4	Low	143 Å²	143	96.4 Å²	96.4	67%	0.668	51%	0.512	S	S	*	.			trans	-105.6	99.8	175.3	-165.5	167.6	23.3	0	0	111.1	P209	P209-Q211 PolarHBondContact O-N 3.39Å
212	L	73	Confident	61.8	Low	33 Å²	33	87.4 Å²	87.4	17%	0.173	48%	0.478	C	S	.	.			trans	-61.8	140	167	-64	-179.2	0	0	0	109.3	L214 Y250 Y253 L254	L212-L214 PolarHBondContact O-N 2.93Å; L212-Y250 HydrophobicContact CD1-CD1 3.84Å; L212-Y250 HydrophobicContact CD1-CE1 4.17Å; L212-Y250 HydrophobicContact CD2-CE1 4.47Å; L212-Y253 HydrophobicContact CD1-CD1 3.87Å; L212-Y253 HydrophobicContact CD1-CE1 3.72Å; L212-Y253 HydrophobicContact CG-CE1 4.2Å; L212-L254 HydrophobicContact CD1-CD2 4.24Å
213	P	73.9	Confident	64.7	Low	48 Å²	48	82.4 Å²	82.4	31%	0.312	44%	0.443	S	S	.	.	S	Bend	trans	-76.2	36.6	176.9	33.1	-36.5	0	0	0	112.4	V543 L565 T566	P213-V543 HydrophobicContact CG-CG2 3.98Å; P213-L565 CarbonylContact O-C 2.95Å; P213-L565 WeakPolarHBondContact O-CA 3.49Å; P213-T566 PolarHBondContact O-N 2.85Å
214	L	81	Confident	67.7	Low	12 Å²	12	81.5 Å²	81.5	6%	0.063	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	146.7	179.4	-77.3	175.4	0	0	0	110.9	L212 L254 V543 L547 W548 L551 V563 S564 L565	L212-L214 PolarHBondContact O-N 2.93Å; L214-L254 HydrophobicContact CB-CD1 3.98Å; L214-L254 HydrophobicContact CB-CD2 3.88Å; L214-L254 HydrophobicContact CD1-CD1 3.9Å; L214-V543 HydrophobicContact CD1-CG1 3.79Å; L214-V543 HydrophobicContact CD1-CG2 3.97Å; L214-V543 HydrophobicContact CD2-CG1 4.4Å; L214-V543 HydrophobicContact CD2-CG2 3.9Å; L214-V543 HydrophobicContact CG-CG1 4.3Å; L214-V543 HydrophobicContact CG-CG2 3.63Å; L214-L547 HydrophobicContact CD1-CD2 3.93Å; L214-L547 HydrophobicContact CD1-CG 4.43Å; L214-W548 HydrophobicContact CD2-CE3 3.8Å; L214-W548 HydrophobicContact CD2-CZ3 3.71Å; L214-L551 HydrophobicContact CD1-CD1 3.96Å; L214-V563 HydrophobicContact CD2-CG1 4.36Å; L214-S564 CarbonylContact C-O 3.6Å; L214-S564 WeakPolarHBondContact CA-O 3.41Å; L214-L565 HydrophobicContact CD2-CD2 3.98Å
215	S	82.5	Confident	70.4	Confident	44 Å²	44	77 Å²	77	31%	0.308	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	144.3	166.3	42.1	0	0	0	0	109.1	S564 T566	S215-S564 PolarHBondContact N-O 2.89Å; S215-S564 PolarHBondContact O-N 2.79Å; S215-S564 PolarHBondContact O-OG 3.49Å; S215-S564 PolarHBondContact OG-O 3.34Å; S215-S564 PolarHBondContact OG-OG 2.87Å; S215-T566 PolarHBondContact OG-OG1 2.7Å
216	I	88.6	Confident	73.4	Confident	2 Å²	2	71.7 Å²	71.7	1%	0.01	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	142.3	174.2	71.4	180	0	0	0	110.6	I218 F226 L254 A255 S258 L551 T562 V563	I216-I218 HydrophobicContact CD1-CD1 4Å; I216-I218 HydrophobicContact CD1-CG1 4.36Å; I216-I218 HydrophobicContact CG1-CD1 4.41Å; I216-I218 HydrophobicContact CG1-CG1 4.43Å; I216-F226 HydrophobicContact CD1-CE2 4.22Å; I216-F226 HydrophobicContact CD1-CZ 3.88Å; I216-L254 HydrophobicContact CD1-CB 3.83Å; I216-L254 HydrophobicContact CG1-CB 3.94Å; I216-L254 HydrophobicContact CG2-CB 4.38Å; I216-L254 HydrophobicContact CG2-CD1 4.37Å; I216-A255 HydrophobicContact CD1-CB 4.14Å; I216-S258 VanDerWaalsContact O-CB 3.3Å; I216-S258 WeakPolarHBondContact O-CB 3.38Å; I216-S258 PolarHBondContact O-OG 2.88Å; I216-L551 HydrophobicContact CG2-CD1 4.44Å; I216-L551 HydrophobicContact CG2-CD2 4.33Å; I216-T562 WeakPolarHBondContact CA-O 3.38Å; I216-V563 HydrophobicContact CG2-CG1 4.19Å; I216-V563 HydrophobicContact CG2-CG2 4.22Å
217	Q	84.9	Confident	76.2	Confident	103 Å²	103	67.2 Å²	67.2	48%	0.481	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	129.4	171.4	-68.9	-179.3	-19.5	0	0	109.4	C560 H561 T562	Q217-C560 WeakPolarHBondContact O-CA 3.5Å; Q217-C560 WeakPolarHBondContact O-CB 3.48Å; Q217-H561 PolarHBondContact O-N 3.17Å; Q217-T562 PolarHBondContact N-O 3.24Å; Q217-T562 PolarHBondContact OE1-OG1 3.06Å
218	I	84.8	Confident	78.3	Confident	15 Å²	15	62.6 Å²	62.6	8%	0.077	32%	0.323	C	S	.	.			trans	-125.3	115.5	178.6	-56.1	168.7	0	0	0	106.2	I216 V223 F226 A255 F259 C560	I216-I218 HydrophobicContact CD1-CD1 4Å; I216-I218 HydrophobicContact CD1-CG1 4.36Å; I216-I218 HydrophobicContact CG1-CD1 4.41Å; I216-I218 HydrophobicContact CG1-CG1 4.43Å; I218-V223 HydrophobicContact CG2-CB 4.3Å; I218-V223 HydrophobicContact CG2-CG2 3.77Å; I218-F226 HydrophobicContact CD1-CD1 3.73Å; I218-F226 HydrophobicContact CD1-CD2 3.96Å; I218-F226 HydrophobicContact CD1-CE1 3.66Å; I218-F226 HydrophobicContact CD1-CE2 3.87Å; I218-F226 HydrophobicContact CD1-CG 3.9Å; I218-F226 HydrophobicContact CD1-CZ 3.72Å; I218-F226 HydrophobicContact CG1-CD2 4.33Å; I218-F226 HydrophobicContact CG1-CE2 4.39Å; I218-F226 HydrophobicContact CG2-CB 4.39Å; I218-A255 HydrophobicContact CD1-CB 3.52Å; I218-F259 HydrophobicContact CB-CE1 4.46Å; I218-F259 HydrophobicContact CB-CZ 4.05Å; I218-F259 HydrophobicContact CD1-CE2 4.36Å; I218-F259 HydrophobicContact CD1-CZ 4.06Å; I218-F259 HydrophobicContact CG2-CZ 4.33Å; I218-C560 HydrophobicContact CG1-CB 4.13Å
219	G	75.1	Confident	80.2	Confident	16 Å²	16	55.1 Å²	55.1	17%	0.165	29%	0.288	C	S	.	.			trans	-70.1	145.1	177.1	0	0	0	0	0	112.3	Y221 N222 H561	G219-Y221 PolarHBondContact O-N 3.19Å; G219-N222 PolarHBondContact O-N 3.31Å; G219-H561 VanDerWaalsContact CA-CE1 3.47Å; G219-H561 WeakPolarHBondContact CA-CE1 3.41Å; G219-H561 PolarHBondContact N-CE1 3.16Å; G219-H561 VanDerWaalsContact N-CE1 3.26Å; G219-H561 PolarHBondContact N-ND1 3.49Å
220	D	72.6	Confident	81.6	Confident	123 Å²	123	50.7 Å²	50.7	66%	0.658	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-29	-164.8	-49.2	-71.1	0	0	0	114.7
221	Y	71	Confident	82.8	Confident	168 Å²	168	49.7 Å²	49.7	66%	0.659	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-15.5	-178.2	60.4	-86.7	0	0	0	114.4	G219 H561	G219-Y221 PolarHBondContact O-N 3.19Å; Y221-H561 AromaticContact CE1-NE2 3.97Å; Y221-H561 AromaticContact CZ-CE1 3.96Å; Y221-H561 AromaticContact CZ-NE2 3.65Å; Y221-H561 PolarHBondContact OH-NE2 2.89Å
222	N	80.6	Confident	83.7	Confident	24 Å²	24	44.1 Å²	44.1	13%	0.128	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.7	-1.3	-176.8	-76.6	-6.2	0	0	0	114	G219 W224 D225 F226 R558	G219-N222 PolarHBondContact O-N 3.31Å; N222-W224 PolarHBondContact O-N 3.28Å; N222-D225 PolarHBondContact O-N 3.5Å; N222-F226 WeakPolarHBondContact O-CB 3.49Å; N222-F226 PolarHBondContact O-N 3.43Å; N222-R558 PolarHBondContact ND2-O 3.41Å
223	V	86.2	Confident	83.4	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-61.8	-41.1	-170.4	-177.8	0	0	0	0	113	I218 L227 F259 Y266 F270	I218-V223 HydrophobicContact CG2-CB 4.3Å; I218-V223 HydrophobicContact CG2-CG2 3.77Å; V223-L227 WeakPolarHBondContact O-CB 3.42Å; V223-L227 PolarHBondContact O-N 2.81Å; V223-F259 HydrophobicContact CB-CZ 4.28Å; V223-F259 HydrophobicContact CG1-CE2 3.77Å; V223-F259 HydrophobicContact CG1-CZ 3.55Å; V223-F259 HydrophobicContact CG2-CE1 4.12Å; V223-F259 HydrophobicContact CG2-CZ 3.74Å; V223-Y266 HydrophobicContact CB-CE1 4.26Å; V223-Y266 WeakPolarHBondContact CB-OH 3.32Å; V223-Y266 HydrophobicContact CG1-CE1 3.85Å; V223-Y266 WeakPolarHBondContact CG1-OH 3.49Å; V223-Y266 HydrophobicContact CG2-CE1 3.92Å; V223-Y266 WeakPolarHBondContact CG2-OH 3.4Å; V223-F270 HydrophobicContact CG1-CD2 3.73Å; V223-F270 HydrophobicContact CG1-CE2 3.76Å
224	W	89.5	Confident	82.8	Confident	115 Å²	115	51.4 Å²	51.4	44%	0.436	26%	0.256	S	S	.	.	H	α-helix	trans	-75.1	-30.5	-179.5	-56.7	124.1	0	0	0	112.4	N222 L227 A228 Y266 F270 R273	N222-W224 PolarHBondContact O-N 3.28Å; W224-L227 HydrophobicContact CE3-CD2 3.85Å; W224-L227 HydrophobicContact CZ3-CD2 3.9Å; W224-L227 PolarHBondContact O-N 2.78Å; W224-A228 VanDerWaalsContact O-CB 3.22Å; W224-A228 WeakPolarHBondContact O-CB 3.49Å; W224-A228 PolarHBondContact O-N 2.88Å; W224-Y266 HydrophobicContact CZ2-CE2 4.07Å; W224-F270 HydrophobicContact CZ3-CD2 4.32Å; W224-R273 HydrophobicContact CE3-CG 4.25Å; W224-R273 HydrophobicContact CH2-CB 4.36Å; W224-R273 HydrophobicContact CZ3-CB 3.75Å; W224-R273 HydrophobicContact CZ3-CG 3.83Å
225	D	89.4	Confident	81.7	Confident	94 Å²	94	51.5 Å²	51.5	50%	0.503	26%	0.259	S	S	.	.	H	α-helix	trans	-71.9	-38.8	172.4	-65.2	-33.8	0	0	0	111.5	N222 A228 E229 L559	N222-D225 PolarHBondContact O-N 3.5Å; D225-A228 PolarHBondContact O-N 3.42Å; D225-E229 WeakPolarHBondContact O-CB 3.32Å; D225-E229 PolarHBondContact O-N 3.49Å; D225-L559 HydrophobicContact CB-CD2 3.83Å
226	F	90.4	Very high	80.5	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-57.9	-50.2	169.5	172.3	-85.2	0	0	0	110.5	I216 I218 N222 A228 E229 V230 A255 F270 L554 L559	I216-F226 HydrophobicContact CD1-CE2 4.22Å; I216-F226 HydrophobicContact CD1-CZ 3.88Å; I218-F226 HydrophobicContact CD1-CD1 3.73Å; I218-F226 HydrophobicContact CD1-CD2 3.96Å; I218-F226 HydrophobicContact CD1-CE1 3.66Å; I218-F226 HydrophobicContact CD1-CE2 3.87Å; I218-F226 HydrophobicContact CD1-CG 3.9Å; I218-F226 HydrophobicContact CD1-CZ 3.72Å; I218-F226 HydrophobicContact CG1-CD2 4.33Å; I218-F226 HydrophobicContact CG1-CE2 4.39Å; I218-F226 HydrophobicContact CG2-CB 4.39Å; N222-F226 WeakPolarHBondContact O-CB 3.49Å; N222-F226 PolarHBondContact O-N 3.43Å; F226-A228 PolarHBondContact O-N 3.15Å; F226-E229 PolarHBondContact O-N 2.66Å; F226-V230 HydrophobicContact CD1-CG2 4.32Å; F226-V230 HydrophobicContact CD2-CG2 4.38Å; F226-V230 HydrophobicContact CE1-CG2 4.08Å; F226-V230 HydrophobicContact CE2-CG2 4.16Å; F226-V230 HydrophobicContact CG-CG2 4.46Å; F226-V230 HydrophobicContact CZ-CG2 4Å; F226-V230 VanDerWaalsContact O-CB 3.31Å; F226-V230 WeakPolarHBondContact O-CB 3.27Å; F226-V230 WeakPolarHBondContact O-CG2 3.13Å; F226-V230 PolarHBondContact O-N 2.88Å; F226-A255 HydrophobicContact CE1-CB 3.7Å; F226-A255 HydrophobicContact CZ-CB 4.11Å; F226-F270 HydrophobicContact CE1-CZ 4.4Å; F226-L554 HydrophobicContact CD2-CD1 4.33Å; F226-L554 HydrophobicContact CE2-CD1 3.78Å; F226-L554 HydrophobicContact CZ-CD1 4.48Å; F226-L559 HydrophobicContact CB-CB 4.26Å; F226-L559 HydrophobicContact CD2-CB 4.21Å
227	L	91.6	Very high	78.8	Confident	4 Å²	4	54.1 Å²	54.1	2%	0.021	27%	0.274	C	S	.	.	H	α-helix	trans	-61.8	-43.8	178.6	-177.2	63.3	0	0	0	111.7	V223 W224 M231 L252 F270 R273 I274	V223-L227 WeakPolarHBondContact O-CB 3.42Å; V223-L227 PolarHBondContact O-N 2.81Å; W224-L227 HydrophobicContact CE3-CD2 3.85Å; W224-L227 HydrophobicContact CZ3-CD2 3.9Å; W224-L227 PolarHBondContact O-N 2.78Å; L227-M231 HydrophobicContact CD1-CG 3.97Å; L227-M231 HydrophobicContact CD1-SD 3.67Å; L227-M231 HydrophobicContact CG-SD 4.46Å; L227-M231 WeakPolarHBondContact O-CB 3.45Å; L227-M231 WeakPolarHBondContact O-CG 3.47Å; L227-M231 PolarHBondContact O-N 2.79Å; L227-L252 HydrophobicContact CD1-CD2 3.58Å; L227-F270 HydrophobicContact CB-CE2 4.17Å; L227-F270 HydrophobicContact CD1-CE2 4.15Å; L227-F270 HydrophobicContact CD1-CZ 4.29Å; L227-F270 HydrophobicContact CD2-CE2 4.41Å; L227-F270 HydrophobicContact CG-CE2 4.48Å; L227-R273 HydrophobicContact CD2-CB 3.8Å; L227-R273 HydrophobicContact CD2-CG 3.5Å; L227-R273 VanDerWaalsContact CD2-CG 3.5Å; L227-I274 HydrophobicContact CD1-CD1 4.49Å; L227-I274 HydrophobicContact CD1-CG1 3.63Å
228	A	90	Very high	77.3	Confident	59 Å²	59	50.4 Å²	50.4	49%	0.488	26%	0.259	S	S	.	.	H	α-helix	trans	-65.3	-40.4	179.8	0	0	0	0	0	112.5	W224 D225 F226 S232	W224-A228 VanDerWaalsContact O-CB 3.22Å; W224-A228 WeakPolarHBondContact O-CB 3.49Å; W224-A228 PolarHBondContact O-N 2.88Å; D225-A228 PolarHBondContact O-N 3.42Å; F226-A228 PolarHBondContact O-N 3.15Å; A228-S232 VanDerWaalsContact O-CB 3.3Å; A228-S232 WeakPolarHBondContact O-CB 3.36Å; A228-S232 PolarHBondContact O-N 3.44Å; A228-S232 VanDerWaalsContact O-N 3.09Å
229	E	88.8	Confident	75.8	Confident	25 Å²	25	54.6 Å²	54.6	12%	0.117	29%	0.289	C	S	.	.	H	α-helix	trans	-69.8	-48.1	176.3	-172.9	66.2	-154.5	0	0	111.4	D225 F226 M231 S232 L554 R557 L559	D225-E229 WeakPolarHBondContact O-CB 3.32Å; D225-E229 PolarHBondContact O-N 3.49Å; F226-E229 PolarHBondContact O-N 2.66Å; E229-M231 VanDerWaalsContact C-N 3.28Å; E229-M231 PolarHBondContact O-N 3.33Å; E229-S232 WeakPolarHBondContact O-CB 3.34Å; E229-S232 PolarHBondContact O-N 3.04Å; E229-S232 VanDerWaalsContact O-N 3.09Å; E229-S232 PolarHBondContact O-OG 3Å; E229-L554 HydrophobicContact CG-CD2 4.28Å; E229-R557 VanDerWaalsContact CD-CZ 3.47Å; E229-R557 IonicContact OE1-CZ 3.45Å; E229-R557 IonicContact OE1-NH1 3.44Å; E229-R557 PolarHBondContact OE1-NH1 2.73Å; E229-R557 IonicContact OE1-NH2 2.69Å; E229-R557 IonicContact OE2-CZ 2.8Å; E229-R557 IonicContact OE2-NH1 3.31Å; E229-R557 PolarHBondContact OE2-NH1 2.8Å; E229-R557 IonicContact OE2-NH2 3.99Å; E229-R557 PolarHBondContact OE2-NH2 2.59Å; E229-L559 HydrophobicContact CB-CD1 3.67Å; E229-L559 HydrophobicContact CG-CD1 3.79Å
230	V	90.3	Very high	74.5	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-62.6	-35	-179	172	0	0	0	0	111.8	F226 P248 L252 W294 L554	F226-V230 HydrophobicContact CD1-CG2 4.32Å; F226-V230 HydrophobicContact CD2-CG2 4.38Å; F226-V230 HydrophobicContact CE1-CG2 4.08Å; F226-V230 HydrophobicContact CE2-CG2 4.16Å; F226-V230 HydrophobicContact CG-CG2 4.46Å; F226-V230 HydrophobicContact CZ-CG2 4Å; F226-V230 VanDerWaalsContact O-CB 3.31Å; F226-V230 WeakPolarHBondContact O-CB 3.27Å; F226-V230 WeakPolarHBondContact O-CG2 3.13Å; F226-V230 PolarHBondContact O-N 2.88Å; V230-P248 HydrophobicContact CG1-CB 3.91Å; V230-L252 HydrophobicContact CB-CD2 4.47Å; V230-L252 HydrophobicContact CG1-CD2 3.8Å; V230-L252 HydrophobicContact CG1-CG 3.89Å; V230-W294 WeakPolarHBondContact O-CH2 3.45Å; V230-L554 HydrophobicContact CG2-CD1 3.74Å; V230-L554 HydrophobicContact CG2-CD2 4.33Å
231	M	90.4	Very high	73.5	Confident	15 Å²	15	58.6 Å²	58.6	7%	0.074	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	10.8	175.8	-59.7	-161.6	76	0	0	114.2	L227 E229 L252 I274 N277 F278 I281	L227-M231 HydrophobicContact CD1-CG 3.97Å; L227-M231 HydrophobicContact CD1-SD 3.67Å; L227-M231 HydrophobicContact CG-SD 4.46Å; L227-M231 WeakPolarHBondContact O-CB 3.45Å; L227-M231 WeakPolarHBondContact O-CG 3.47Å; L227-M231 PolarHBondContact O-N 2.79Å; E229-M231 VanDerWaalsContact C-N 3.28Å; E229-M231 PolarHBondContact O-N 3.33Å; M231-L252 HydrophobicContact CE-CD1 4.44Å; M231-L252 HydrophobicContact CG-CD1 4.13Å; M231-L252 HydrophobicContact CG-CD2 4.28Å; M231-L252 HydrophobicContact SD-CD1 4.09Å; M231-I274 HydrophobicContact SD-CG1 4.36Å; M231-I274 HydrophobicContact SD-CG2 4.39Å; M231-N277 HydrophobicContact CE-CB 3.49Å; M231-N277 VanDerWaalsContact CE-CB 3.49Å; M231-N277 HydrophobicContact SD-CB 3.54Å; M231-N277 VanDerWaalsContact SD-CB 3.54Å; M231-F278 HydrophobicContact CE-CD1 4.06Å; M231-F278 HydrophobicContact CE-CD2 3.63Å; M231-F278 HydrophobicContact CE-CE1 3.98Å; M231-F278 HydrophobicContact CE-CE2 3.59Å; M231-F278 HydrophobicContact CE-CG 3.92Å; M231-F278 HydrophobicContact CE-CZ 3.77Å; M231-I281 HydrophobicContact CE-CD1 4.3Å
232	S	84.1	Confident	73	Confident	26 Å²	26	51.4 Å²	51.4	18%	0.182	28%	0.275	C	S	.	.	S	Bend	trans	-77.5	147.6	177.7	72.2	0	0	0	0	112.2	A228 E229 R234 A235	A228-S232 VanDerWaalsContact O-CB 3.3Å; A228-S232 WeakPolarHBondContact O-CB 3.36Å; A228-S232 PolarHBondContact O-N 3.44Å; A228-S232 VanDerWaalsContact O-N 3.09Å; E229-S232 WeakPolarHBondContact O-CB 3.34Å; E229-S232 PolarHBondContact O-N 3.04Å; E229-S232 VanDerWaalsContact O-N 3.09Å; E229-S232 PolarHBondContact O-OG 3Å; S232-R234 PolarHBondContact O-N 2.86Å; S232-A235 WeakPolarHBondContact O-CB 3.35Å; S232-A235 PolarHBondContact O-N 2.83Å
233	N	66.3	Low	72.7	Confident	81 Å²	81	55.6 Å²	55.6	43%	0.433	30%	0.301	S	S	.	.	H	α-helix	trans	-62.2	-7.2	173.6	-70.1	-17.6	0	0	0	113.9	A235 A236 T237 W294	N233-A235 VanDerWaalsContact C-N 3.3Å; N233-A236 PolarHBondContact O-N 3.21Å; N233-T237 PolarHBondContact O-N 2.68Å; N233-T237 VanDerWaalsContact O-N 3.13Å; N233-T237 PolarHBondContact O-OG1 3.47Å; N233-W294 PolarHBondContact OD1-NE1 2.65Å
234	R	61.2	Low	72.8	Confident	154 Å²	154	56.5 Å²	56.5	58%	0.581	31%	0.305	S	S	*	.	H	α-helix	trans	-65.3	-34.1	168.2	-63	178.5	172.5	174.4	-3.4	111.6	S232 A236 T237 S238	S232-R234 PolarHBondContact O-N 2.86Å; R234-A236 VanDerWaalsContact C-N 3.29Å; R234-A236 PolarHBondContact O-N 2.85Å; R234-T237 PolarHBondContact O-N 2.87Å; R234-S238 VanDerWaalsContact O-CB 3.32Å; R234-S238 WeakPolarHBondContact O-CB 3.5Å; R234-S238 PolarHBondContact O-N 3.29Å; R234-S238 PolarHBondContact O-OG 3.4Å
235	A	58.3	Low	72.7	Confident	14 Å²	14	53.4 Å²	53.4	12%	0.116	29%	0.294	C	S	.	.	H	α-helix	trans	-65.5	-32.1	177	0	0	0	0	0	112.7	S232 N233 P248 F293 W294	S232-A235 WeakPolarHBondContact O-CB 3.35Å; S232-A235 PolarHBondContact O-N 2.83Å; N233-A235 VanDerWaalsContact C-N 3.3Å; A235-P248 HydrophobicContact CB-CG 4.17Å; A235-F293 HydrophobicContact CB-CE1 4.22Å; A235-F293 HydrophobicContact CB-CZ 4.08Å; A235-F293 WeakPolarHBondContact O-CE2 3.43Å; A235-F293 VanDerWaalsContact O-CZ 3.23Å; A235-F293 WeakPolarHBondContact O-CZ 3.49Å; A235-W294 HydrophobicContact CB-CH2 4.44Å
236	A	57.3	Low	72.7	Confident	5 Å²	5	49 Å²	49	4%	0.041	27%	0.27	C	S	.	.	H	α-helix	trans	-77.9	-44.1	176.7	0	0	0	0	0	112.3	N233 R234 R245 D290 F293	N233-A236 PolarHBondContact O-N 3.21Å; R234-A236 VanDerWaalsContact C-N 3.29Å; R234-A236 PolarHBondContact O-N 2.85Å; A236-R245 PolarHBondContact O-NH1 2.96Å; A236-D290 HydrophobicContact CB-CB 4.31Å; A236-D290 WeakPolarHBondContact CB-OD1 3.44Å; A236-F293 HydrophobicContact CB-CB 4.21Å; A236-F293 HydrophobicContact CB-CD1 3.39Å; A236-F293 HydrophobicContact CB-CD2 4.49Å; A236-F293 HydrophobicContact CB-CE1 3.78Å; A236-F293 HydrophobicContact CB-CG 3.78Å; A236-F293 HydrophobicContact CB-CZ 4.47Å
237	T	52.7	Low	72.7	Confident	96 Å²	96	49 Å²	49	59%	0.589	27%	0.27	S	S	*	.	H	α-helix	trans	-86.2	-27.5	-171.6	50.5	0	0	0	0	115.1	N233 R234	N233-T237 PolarHBondContact O-N 2.68Å; N233-T237 VanDerWaalsContact O-N 3.13Å; N233-T237 PolarHBondContact O-OG1 3.47Å; R234-T237 PolarHBondContact O-N 2.87Å
238	S	52.7	Low	72.8	Confident	25 Å²	25	49 Å²	49	18%	0.175	27%	0.27	C	S	.	.			trans	-88.2	117.4	-177.2	63.8	0	0	0	0	113	R234 E240 M241	R234-S238 VanDerWaalsContact O-CB 3.32Å; R234-S238 WeakPolarHBondContact O-CB 3.5Å; R234-S238 PolarHBondContact O-N 3.29Å; R234-S238 PolarHBondContact O-OG 3.4Å; S238-E240 PolarHBondContact O-N 3.14Å; S238-M241 VanDerWaalsContact OG-CB 3.26Å; S238-M241 WeakPolarHBondContact OG-CB 3.49Å
239	S	52.4	Low	72.9	Confident	102 Å²	102	46.2 Å²	46.2	71%	0.713	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-8.8	166.9	-169.6	0	0	0	0	113
240	E	49	Very low	73	Confident	181 Å²	181	45.4 Å²	45.4	85%	0.846	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-28.9	-175	-57.5	-179.5	148.2	0	0	113	S238	S238-E240 PolarHBondContact O-N 3.14Å
241	M	51.9	Low	73.1	Confident	42 Å²	42	45.4 Å²	45.4	21%	0.207	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-32.7	-170.6	-157.7	90.7	70.9	0	0	112.8	S238 Y550 Q553	S238-M241 VanDerWaalsContact OG-CB 3.26Å; S238-M241 WeakPolarHBondContact OG-CB 3.49Å; M241-Y550 HydrophobicContact CG-CD2 4.15Å; M241-Y550 HydrophobicContact CG-CE2 3.97Å; M241-Y550 WeakPolarHBondContact O-CD2 3.37Å; M241-Q553 PolarHBondContact O-NE2 3.37Å; M241-Q553 PolarHBondContact O-OE1 3.4Å; M241-Q553 PolarHBondContact SD-OE1 2.9Å; M241-Q553 VanDerWaalsContact SD-OE1 3.37Å
242	S	60.7	Low	73.3	Confident	18 Å²	18	44.8 Å²	44.8	13%	0.126	24%	0.24	C	C	.	.			trans	-152.2	130.2	172.6	-170.9	0	0	0	0	114.3	F244 S247	S242-F244 PolarHBondContact OG-N 2.8Å; S242-F244 PolarHBondContact OG-O 3.29Å; S242-S247 PolarHBondContact OG-OG 2.85Å
243	T	74.6	Confident	73.7	Confident	111 Å²	111	43.8 Å²	43.8	68%	0.681	23%	0.232	S	C	*	.	S	Bend	trans	-72.3	-15.7	165.8	50	0	0	0	0	112.7	G546	T243-G546 WeakPolarHBondContact OG1-CA 3.29Å
244	F	86.6	Confident	74.8	Confident	20 Å²	20	40.3 Å²	40.3	9%	0.088	21%	0.214	C	C	.	.	S	Bend	trans	-110.9	98.7	178.8	178.8	-120.9	0	0	0	110.8	S242 L246 S247 Y250 F536 L547	S242-F244 PolarHBondContact OG-N 2.8Å; S242-F244 PolarHBondContact OG-O 3.29Å; F244-L246 HydrophobicContact CE1-CB 3.93Å; F244-L246 HydrophobicContact CE2-CB 4.17Å; F244-L246 HydrophobicContact CE2-CD1 4.47Å; F244-L246 HydrophobicContact CZ-CB 3.69Å; F244-L246 HydrophobicContact CZ-CD1 4.35Å; F244-L246 PolarHBondContact O-N 3.43Å; F244-S247 WeakPolarHBondContact CD1-OG 3.28Å; F244-S247 WeakPolarHBondContact O-CB 3.28Å; F244-S247 PolarHBondContact O-N 2.77Å; F244-S247 PolarHBondContact O-OG 2.91Å; F244-Y250 AromaticContact CE1-CD2 3.79Å; F244-Y250 HydrophobicContact CE1-CD2 3.79Å; F244-Y250 HydrophobicContact CE1-CE2 4.01Å; F244-Y250 HydrophobicContact CE1-CG 4.31Å; F244-Y250 HydrophobicContact CZ-CD2 4.11Å; F244-Y250 AromaticContact CZ-CE2 3.84Å; F244-Y250 HydrophobicContact CZ-CE2 3.84Å; F244-F536 HydrophobicContact CD2-CD1 4.34Å; F244-F536 AromaticContact CD2-CE1 3.96Å; F244-F536 HydrophobicContact CD2-CE1 3.96Å; F244-F536 AromaticContact CE2-CD1 3.29Å; F244-F536 HydrophobicContact CE2-CD1 3.29Å; F244-F536 AromaticContact CE2-CE1 3.31Å; F244-F536 HydrophobicContact CE2-CE1 3.31Å; F244-F536 AromaticContact CE2-CG 3.95Å; F244-F536 HydrophobicContact CE2-CG 3.95Å; F244-F536 AromaticContact CE2-CZ 3.99Å; F244-F536 HydrophobicContact CE2-CZ 3.99Å; F244-F536 HydrophobicContact CZ-CB 4.48Å; F244-F536 AromaticContact CZ-CD1 3.6Å; F244-F536 HydrophobicContact CZ-CD1 3.6Å; F244-F536 HydrophobicContact CZ-CE1 4.07Å; F244-F536 HydrophobicContact CZ-CG 4.2Å; F244-L547 HydrophobicContact CD1-CB 3.73Å; F244-L547 HydrophobicContact CD1-CD1 4.33Å; F244-L547 HydrophobicContact CE1-CB 4.18Å; F244-L547 HydrophobicContact CE1-CD1 4.48Å
245	R	87.8	Confident	76.3	Confident	50 Å²	50	33 Å²	33	19%	0.189	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-19.4	-170.4	-69.2	-58.6	-149.4	148.6	8.9	116	A236 S247 F293 N297 I372	A236-R245 PolarHBondContact O-NH1 2.96Å; R245-S247 VanDerWaalsContact C-N 3.32Å; R245-F293 HydrophobicContact CB-CE2 4.38Å; R245-F293 WeakPolarHBondContact O-CE2 3.47Å; R245-N297 PolarHBondContact O-ND2 2.95Å; R245-I372 HydrophobicContact CG-CG2 4.48Å; R245-I372 VanDerWaalsContact CG-O 3.27Å; R245-I372 WeakPolarHBondContact CG-O 3.47Å
246	L	90.6	Very high	77.9	Confident	2 Å²	2	32.3 Å²	32.3	1%	0.01	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	7.4	175.2	-61.3	171.4	0	0	0	113.6	F244 P248 A249 Y250 A296 N297 E300 Y535	F244-L246 HydrophobicContact CE1-CB 3.93Å; F244-L246 HydrophobicContact CE2-CB 4.17Å; F244-L246 HydrophobicContact CE2-CD1 4.47Å; F244-L246 HydrophobicContact CZ-CB 3.69Å; F244-L246 HydrophobicContact CZ-CD1 4.35Å; F244-L246 PolarHBondContact O-N 3.43Å; L246-P248 VanDerWaalsContact C-N 3.34Å; L246-A249 WeakPolarHBondContact O-CB 3.3Å; L246-A249 PolarHBondContact O-N 2.88Å; L246-A249 VanDerWaalsContact O-N 3.09Å; L246-Y250 HydrophobicContact CB-CD2 4.18Å; L246-Y250 HydrophobicContact CB-CE2 4.14Å; L246-Y250 WeakPolarHBondContact O-CD2 3.28Å; L246-Y250 PolarHBondContact O-N 3.17Å; L246-A296 HydrophobicContact CD2-CB 3.94Å; L246-N297 WeakPolarHBondContact CA-OD1 3.27Å; L246-N297 PolarHBondContact O-OD1 3Å; L246-E300 HydrophobicContact CD1-CG 4.14Å; L246-E300 HydrophobicContact CD2-CB 4.15Å; L246-Y535 HydrophobicContact CD1-CD1 3.73Å; L246-Y535 HydrophobicContact CD1-CG 4.16Å
247	S	90	Very high	79.4	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-53.6	-39	-177.4	-61.9	0	0	0	0	114.7	S242 F244 R245 S251 Y550	S242-S247 PolarHBondContact OG-OG 2.85Å; F244-S247 WeakPolarHBondContact CD1-OG 3.28Å; F244-S247 WeakPolarHBondContact O-CB 3.28Å; F244-S247 PolarHBondContact O-N 2.77Å; F244-S247 PolarHBondContact O-OG 2.91Å; R245-S247 VanDerWaalsContact C-N 3.32Å; S247-S251 VanDerWaalsContact O-CB 3.3Å; S247-S251 WeakPolarHBondContact O-CB 3.45Å; S247-S251 PolarHBondContact O-N 2.82Å; S247-S251 PolarHBondContact O-OG 2.99Å; S247-Y550 VanDerWaalsContact CB-CD1 3.46Å
248	P	92.8	Very high	81.1	Confident	3 Å²	3	31 Å²	31	2%	0.019	17%	0.167	C	C	.	.	H	α-helix	trans	-58.2	-48	173.2	-26.3	34.6	0	0	0	113.6	V230 A235 L246 Y250 S251 L252 F293 W294 N297	V230-P248 HydrophobicContact CG1-CB 3.91Å; A235-P248 HydrophobicContact CB-CG 4.17Å; L246-P248 VanDerWaalsContact C-N 3.34Å; P248-Y250 PolarHBondContact O-N 3.18Å; P248-S251 PolarHBondContact O-N 2.74Å; P248-S251 VanDerWaalsContact O-N 3.12Å; P248-L252 WeakPolarHBondContact O-CG 3.49Å; P248-L252 PolarHBondContact O-N 2.91Å; P248-F293 HydrophobicContact CG-CE1 4.32Å; P248-F293 HydrophobicContact CG-CZ 3.88Å; P248-W294 HydrophobicContact CB-CZ3 4.14Å; P248-W294 HydrophobicContact CG-CZ3 4.48Å; P248-N297 WeakPolarHBondContact CB-OD1 3.37Å; P248-N297 VanDerWaalsContact CD-OD1 3.29Å; P248-N297 WeakPolarHBondContact CD-OD1 3.46Å
249	A	92.7	Very high	82.8	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-56.1	-48.2	-179.7	0	0	0	0	0	112.6	L246 Y253 N297 E300 F301	L246-A249 WeakPolarHBondContact O-CB 3.3Å; L246-A249 PolarHBondContact O-N 2.88Å; L246-A249 VanDerWaalsContact O-N 3.09Å; A249-Y253 WeakPolarHBondContact O-CB 3.11Å; A249-Y253 PolarHBondContact O-N 3.07Å; A249-N297 HydrophobicContact CB-CB 4.26Å; A249-N297 VanDerWaalsContact CB-O 3.28Å; A249-N297 WeakPolarHBondContact CB-O 3.29Å; A249-N297 PolarHBondContact N-OD1 2.73Å; A249-E300 HydrophobicContact CB-CB 4.08Å; A249-E300 HydrophobicContact CB-CG 4.29Å; A249-F301 HydrophobicContact CB-CB 4.1Å
250	Y	91.3	Very high	84.4	Confident	9 Å²	9	25.9 Å²	25.9	4%	0.035	13%	0.129	C	C	.	.	H	α-helix	trans	-66.9	-36.4	177.5	-76.9	-102.9	0	0	0	112.1	L212 F244 L246 P248 Y253 L254 E300 L304 F536 V537 L547	L212-Y250 HydrophobicContact CD1-CD1 3.84Å; L212-Y250 HydrophobicContact CD1-CE1 4.17Å; L212-Y250 HydrophobicContact CD2-CE1 4.47Å; F244-Y250 AromaticContact CE1-CD2 3.79Å; F244-Y250 HydrophobicContact CE1-CD2 3.79Å; F244-Y250 HydrophobicContact CE1-CE2 4.01Å; F244-Y250 HydrophobicContact CE1-CG 4.31Å; F244-Y250 HydrophobicContact CZ-CD2 4.11Å; F244-Y250 AromaticContact CZ-CE2 3.84Å; F244-Y250 HydrophobicContact CZ-CE2 3.84Å; L246-Y250 HydrophobicContact CB-CD2 4.18Å; L246-Y250 HydrophobicContact CB-CE2 4.14Å; L246-Y250 WeakPolarHBondContact O-CD2 3.28Å; L246-Y250 PolarHBondContact O-N 3.17Å; P248-Y250 PolarHBondContact O-N 3.18Å; Y250-Y253 PolarHBondContact O-N 3.29Å; Y250-L254 WeakPolarHBondContact O-CB 3.38Å; Y250-L254 VanDerWaalsContact O-CG 3.24Å; Y250-L254 WeakPolarHBondContact O-CG 3.31Å; Y250-L254 PolarHBondContact O-N 3.25Å; Y250-E300 HydrophobicContact CD2-CG 4.41Å; Y250-E300 HydrophobicContact CE2-CG 3.68Å; Y250-E300 WeakPolarHBondContact CE2-OE1 3.16Å; Y250-E300 PolarHBondContact OH-OE1 3.45Å; Y250-L304 HydrophobicContact CD1-CD1 4.29Å; Y250-L304 HydrophobicContact CD2-CD1 4.22Å; Y250-L304 HydrophobicContact CE1-CD1 4.36Å; Y250-L304 HydrophobicContact CE1-CD2 4.29Å; Y250-L304 HydrophobicContact CE2-CD1 4.29Å; Y250-L304 HydrophobicContact CG-CD1 4.21Å; Y250-F536 WeakPolarHBondContact OH-CB 3.39Å; Y250-V537 VanDerWaalsContact OH-CG2 3.29Å; Y250-V537 WeakPolarHBondContact OH-CG2 3.26Å; Y250-V537 PolarHBondContact OH-N 2.87Å; Y250-L547 HydrophobicContact CD1-CD2 3.91Å; Y250-L547 HydrophobicContact CG-CD2 4.03Å
251	S	91.9	Very high	86.2	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-69.3	-40.8	178.3	-57.4	0	0	0	0	112.4	S247 P248 A255 Y550 L551	S247-S251 VanDerWaalsContact O-CB 3.3Å; S247-S251 WeakPolarHBondContact O-CB 3.45Å; S247-S251 PolarHBondContact O-N 2.82Å; S247-S251 PolarHBondContact O-OG 2.99Å; P248-S251 PolarHBondContact O-N 2.74Å; P248-S251 VanDerWaalsContact O-N 3.12Å; S251-A255 WeakPolarHBondContact O-CB 3.24Å; S251-A255 PolarHBondContact O-N 2.79Å; S251-Y550 WeakPolarHBondContact OG-CE1 3.33Å; S251-L551 WeakPolarHBondContact OG-CD2 3.34Å
252	L	93.6	Very high	87.6	Confident	1 Å²	1	26 Å²	26	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-65.6	-40.3	173.6	-66.3	178.6	0	0	0	111.6	L227 V230 M231 P248 L256 F270 I274 F278 F301	L227-L252 HydrophobicContact CD1-CD2 3.58Å; V230-L252 HydrophobicContact CB-CD2 4.47Å; V230-L252 HydrophobicContact CG1-CD2 3.8Å; V230-L252 HydrophobicContact CG1-CG 3.89Å; M231-L252 HydrophobicContact CE-CD1 4.44Å; M231-L252 HydrophobicContact CG-CD1 4.13Å; M231-L252 HydrophobicContact CG-CD2 4.28Å; M231-L252 HydrophobicContact SD-CD1 4.09Å; P248-L252 WeakPolarHBondContact O-CG 3.49Å; P248-L252 PolarHBondContact O-N 2.91Å; L252-L256 VanDerWaalsContact O-CB 3.27Å; L252-L256 WeakPolarHBondContact O-CB 3.3Å; L252-L256 PolarHBondContact O-N 3.05Å; L252-F270 HydrophobicContact CD2-CZ 4.39Å; L252-I274 HydrophobicContact CB-CD1 4.21Å; L252-I274 HydrophobicContact CD1-CG1 4.44Å; L252-I274 HydrophobicContact CD1-CG2 4.21Å; L252-I274 HydrophobicContact CD2-CD1 4.09Å; L252-I274 HydrophobicContact CD2-CG1 4.16Å; L252-F278 HydrophobicContact CD1-CE2 4.34Å; L252-F278 HydrophobicContact CD1-CZ 4.44Å; L252-F301 HydrophobicContact CB-CD2 3.8Å; L252-F301 HydrophobicContact CB-CE2 3.74Å
253	Y	92.5	Very high	88.7	Confident	5 Å²	5	28.1 Å²	28.1	2%	0.02	14%	0.144	C	C	.	.	H	α-helix	trans	-62.3	-50	174.4	170.8	-102.7	0	0	0	112.1	L210 L212 A249 Y250 A255 L256 R257 L304 V305 D308 L311	L210-Y253 PolarHBondContact O-OH 3.48Å; L212-Y253 HydrophobicContact CD1-CD1 3.87Å; L212-Y253 HydrophobicContact CD1-CE1 3.72Å; L212-Y253 HydrophobicContact CG-CE1 4.2Å; A249-Y253 WeakPolarHBondContact O-CB 3.11Å; A249-Y253 PolarHBondContact O-N 3.07Å; Y250-Y253 PolarHBondContact O-N 3.29Å; Y253-A255 VanDerWaalsContact C-N 3.31Å; Y253-A255 PolarHBondContact O-N 2.95Å; Y253-L256 PolarHBondContact O-N 3.26Å; Y253-R257 VanDerWaalsContact O-CB 3.32Å; Y253-R257 WeakPolarHBondContact O-CB 3.48Å; Y253-R257 PolarHBondContact O-N 2.89Å; Y253-L304 HydrophobicContact CD1-CD1 4.48Å; Y253-L304 HydrophobicContact CD1-CD2 4.32Å; Y253-L304 HydrophobicContact CD2-CB 3.59Å; Y253-L304 HydrophobicContact CE1-CD2 4.41Å; Y253-L304 HydrophobicContact CE2-CB 3.99Å; Y253-L304 HydrophobicContact CG-CB 3.91Å; Y253-L304 HydrophobicContact CG-CD1 4.11Å; Y253-L304 HydrophobicContact CG-CD2 4.43Å; Y253-L304 HydrophobicContact CG-CG 4.39Å; Y253-V305 HydrophobicContact CD2-CG2 4.45Å; Y253-D308 HydrophobicContact CE2-CB 4.02Å; Y253-D308 PolarHBondContact OH-OD2 2.78Å; Y253-L311 HydrophobicContact CD2-CD1 4Å; Y253-L311 HydrophobicContact CE2-CD1 3.72Å
254	L	91.3	Very high	88.9	Confident	9 Å²	9	28.4 Å²	28.4	5%	0.047	14%	0.136	C	C	.	.	H	α-helix	trans	-62.4	-37.8	179.4	-70.7	169.1	0	0	0	111.8	L212 L214 I216 Y250 S258 L551	L212-L254 HydrophobicContact CD1-CD2 4.24Å; L214-L254 HydrophobicContact CB-CD1 3.98Å; L214-L254 HydrophobicContact CB-CD2 3.88Å; L214-L254 HydrophobicContact CD1-CD1 3.9Å; I216-L254 HydrophobicContact CD1-CB 3.83Å; I216-L254 HydrophobicContact CG1-CB 3.94Å; I216-L254 HydrophobicContact CG2-CB 4.38Å; I216-L254 HydrophobicContact CG2-CD1 4.37Å; Y250-L254 WeakPolarHBondContact O-CB 3.38Å; Y250-L254 VanDerWaalsContact O-CG 3.24Å; Y250-L254 WeakPolarHBondContact O-CG 3.31Å; Y250-L254 PolarHBondContact O-N 3.25Å; L254-S258 WeakPolarHBondContact O-CB 3.43Å; L254-S258 PolarHBondContact O-N 3.44Å; L254-L551 HydrophobicContact CD1-CD1 3.99Å
255	A	91.4	Very high	88.7	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-63.6	-52.8	173	0	0	0	0	0	111.8	I216 I218 F226 S251 Y253 R257 S258 F259 F270	I216-A255 HydrophobicContact CD1-CB 4.14Å; I218-A255 HydrophobicContact CD1-CB 3.52Å; F226-A255 HydrophobicContact CE1-CB 3.7Å; F226-A255 HydrophobicContact CZ-CB 4.11Å; S251-A255 WeakPolarHBondContact O-CB 3.24Å; S251-A255 PolarHBondContact O-N 2.79Å; Y253-A255 VanDerWaalsContact C-N 3.31Å; Y253-A255 PolarHBondContact O-N 2.95Å; A255-R257 VanDerWaalsContact C-N 3.28Å; A255-R257 PolarHBondContact O-N 3.34Å; A255-S258 WeakPolarHBondContact O-CB 3.47Å; A255-S258 PolarHBondContact O-N 3.26Å; A255-F259 HydrophobicContact CB-CE2 4.16Å; A255-F259 WeakPolarHBondContact O-CD2 3.15Å; A255-F259 WeakPolarHBondContact O-CG 3.45Å; A255-F259 PolarHBondContact O-N 3.49Å; A255-F270 HydrophobicContact CB-CE1 3.61Å; A255-F270 HydrophobicContact CB-CZ 3.57Å
256	L	92	Very high	88.4	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-58	-40.2	178.6	179.6	67.6	0	0	0	111.8	L252 Y253 F259 H260 S267 F270 F271 F301 V305 L311 Y316	L252-L256 VanDerWaalsContact O-CB 3.27Å; L252-L256 WeakPolarHBondContact O-CB 3.3Å; L252-L256 PolarHBondContact O-N 3.05Å; Y253-L256 PolarHBondContact O-N 3.26Å; L256-F259 PolarHBondContact O-N 3.23Å; L256-H260 WeakPolarHBondContact O-CB 3.35Å; L256-H260 PolarHBondContact O-N 3.03Å; L256-S267 WeakPolarHBondContact CD1-O 3.41Å; L256-F270 HydrophobicContact CB-CD1 4.2Å; L256-F270 HydrophobicContact CB-CE1 4.26Å; L256-F270 HydrophobicContact CD1-CD1 4.18Å; L256-F271 HydrophobicContact CD1-CB 4.14Å; L256-F271 HydrophobicContact CD1-CD2 4.4Å; L256-F271 HydrophobicContact CD2-CD2 3.84Å; L256-F271 HydrophobicContact CD2-CE2 4.46Å; L256-F301 HydrophobicContact CD2-CE2 4.31Å; L256-F301 HydrophobicContact CD2-CZ 4.03Å; L256-V305 HydrophobicContact CD2-CG2 3.82Å; L256-L311 HydrophobicContact CD2-CD1 4.11Å; L256-L311 HydrophobicContact CD2-CD2 4.41Å; L256-L311 HydrophobicContact CG-CD1 4.38Å; L256-L311 HydrophobicContact CG-CD2 4.14Å; L256-Y316 HydrophobicContact CD1-CE1 4.3Å; L256-Y316 HydrophobicContact CD2-CE2 4.46Å
257	R	89.4	Confident	88.3	Confident	53 Å²	53	31 Å²	31	20%	0.2	16%	0.157	C	C	.	.	H	α-helix	trans	-67.3	-42.1	177.6	-170.1	51.5	157.2	123.7	-15	112.1	Y253 A255 H260 T261 D308 E310	Y253-R257 VanDerWaalsContact O-CB 3.32Å; Y253-R257 WeakPolarHBondContact O-CB 3.48Å; Y253-R257 PolarHBondContact O-N 2.89Å; A255-R257 VanDerWaalsContact C-N 3.28Å; A255-R257 PolarHBondContact O-N 3.34Å; R257-H260 PolarHBondContact O-N 3.07Å; R257-T261 PolarHBondContact O-N 3.47Å; R257-T261 PolarHBondContact O-OG1 3.46Å; R257-T261 VanDerWaalsContact O-OG1 3.08Å; R257-D308 IonicContact CZ-OD1 3.11Å; R257-D308 IonicContact CZ-OD2 2.73Å; R257-D308 VanDerWaalsContact CZ-OD2 3.23Å; R257-D308 IonicContact NE-OD1 3.84Å; R257-D308 IonicContact NE-OD2 2.7Å; R257-D308 PolarHBondContact NE-OD2 2.85Å; R257-D308 IonicContact NH2-OD1 3.11Å; R257-D308 PolarHBondContact NH2-OD1 3.42Å; R257-D308 IonicContact NH2-OD2 2.99Å; R257-D308 PolarHBondContact NH2-OD2 3.19Å; R257-E310 IonicContact CZ-OE1 3.69Å; R257-E310 IonicContact CZ-OE2 2.94Å; R257-E310 IonicContact NH1-OE1 3.51Å; R257-E310 PolarHBondContact NH1-OE1 3.2Å; R257-E310 IonicContact NH1-OE2 2.71Å; R257-E310 PolarHBondContact NH1-OE2 2.91Å; R257-E310 IonicContact NH2-OE1 3.86Å; R257-E310 PolarHBondContact NH2-OE1 3.19Å; R257-E310 IonicContact NH2-OE2 3.5Å
258	S	87.3	Confident	88.2	Confident	20 Å²	20	34.7 Å²	34.7	14%	0.14	18%	0.18	C	C	.	.	H	α-helix	trans	-59.8	-47.6	173.8	-162.9	0	0	0	0	111.3	I216 L254 A255 H260 T261 H262	I216-S258 VanDerWaalsContact O-CB 3.3Å; I216-S258 WeakPolarHBondContact O-CB 3.38Å; I216-S258 PolarHBondContact O-OG 2.88Å; L254-S258 WeakPolarHBondContact O-CB 3.43Å; L254-S258 PolarHBondContact O-N 3.44Å; A255-S258 WeakPolarHBondContact O-CB 3.47Å; A255-S258 PolarHBondContact O-N 3.26Å; S258-H260 PolarHBondContact O-N 3.44Å; S258-T261 PolarHBondContact O-N 2.83Å; S258-H262 PolarHBondContact O-CD2 3.13Å; S258-H262 VanDerWaalsContact O-CD2 3.29Å; S258-H262 PolarHBondContact O-N 3.02Å
259	F	88.3	Confident	88	Confident	12 Å²	12	40.1 Å²	40.1	5%	0.053	21%	0.205	C	C	.	.	H	α-helix	trans	-66.1	-33.9	174.5	-59.3	-47.3	0	0	0	112.9	I218 V223 A255 L256 T261 N263 K264 Y266 F270	I218-F259 HydrophobicContact CB-CE1 4.46Å; I218-F259 HydrophobicContact CB-CZ 4.05Å; I218-F259 HydrophobicContact CD1-CE2 4.36Å; I218-F259 HydrophobicContact CD1-CZ 4.06Å; I218-F259 HydrophobicContact CG2-CZ 4.33Å; V223-F259 HydrophobicContact CB-CZ 4.28Å; V223-F259 HydrophobicContact CG1-CE2 3.77Å; V223-F259 HydrophobicContact CG1-CZ 3.55Å; V223-F259 HydrophobicContact CG2-CE1 4.12Å; V223-F259 HydrophobicContact CG2-CZ 3.74Å; A255-F259 HydrophobicContact CB-CE2 4.16Å; A255-F259 WeakPolarHBondContact O-CD2 3.15Å; A255-F259 WeakPolarHBondContact O-CG 3.45Å; A255-F259 PolarHBondContact O-N 3.49Å; L256-F259 PolarHBondContact O-N 3.23Å; F259-T261 VanDerWaalsContact C-N 3.34Å; F259-T261 PolarHBondContact O-N 3.36Å; F259-N263 CarbonylContact O-C 3.48Å; F259-N263 VanDerWaalsContact O-CA 3.3Å; F259-N263 WeakPolarHBondContact O-CA 3.24Å; F259-N263 PolarHBondContact O-N 2.9Å; F259-N263 VanDerWaalsContact O-O 3.05Å; F259-K264 PolarHBondContact O-N 2.83Å; F259-Y266 AromaticContact CD1-CD1 3.8Å; F259-Y266 HydrophobicContact CD1-CD1 3.8Å; F259-Y266 HydrophobicContact CD1-CE1 4.1Å; F259-Y266 HydrophobicContact CD2-CD1 4.45Å; F259-Y266 HydrophobicContact CE1-CD1 4.09Å; F259-Y266 AromaticContact CE1-CE1 3.9Å; F259-Y266 HydrophobicContact CE1-CE1 3.9Å; F259-Y266 HydrophobicContact CE2-CE1 4.38Å; F259-Y266 HydrophobicContact CG-CD1 4.02Å; F259-Y266 HydrophobicContact CG-CE1 4.46Å; F259-Y266 HydrophobicContact CZ-CE1 4.06Å; F259-F270 HydrophobicContact CD2-CB 4.25Å; F259-F270 AromaticContact CD2-CD1 3.8Å; F259-F270 HydrophobicContact CD2-CD1 3.8Å; F259-F270 HydrophobicContact CD2-CD2 4.21Å; F259-F270 HydrophobicContact CD2-CE1 4.15Å; F259-F270 AromaticContact CD2-CG 3.83Å; F259-F270 HydrophobicContact CD2-CG 3.83Å; F259-F270 HydrophobicContact CE2-CD1 4.04Å; F259-F270 AromaticContact CE2-CD2 3.8Å; F259-F270 HydrophobicContact CE2-CD2 3.8Å; F259-F270 HydrophobicContact CE2-CE1 4.06Å; F259-F270 AromaticContact CE2-CE2 3.83Å; F259-F270 HydrophobicContact CE2-CE2 3.83Å; F259-F270 AromaticContact CE2-CG 3.91Å; F259-F270 HydrophobicContact CE2-CG 3.91Å; F259-F270 AromaticContact CE2-CZ 3.98Å; F259-F270 HydrophobicContact CE2-CZ 3.98Å
260	H	87.4	Confident	88	Confident	8 Å²	8	40.1 Å²	40.1	4%	0.037	21%	0.205	C	C	.	.	H	α-helix	trans	-66.2	-38	175.4	-168.2	75.6	0	0	0	112.3	L256 R257 S258 K264 L311 S314 Y316	L256-H260 WeakPolarHBondContact O-CB 3.35Å; L256-H260 PolarHBondContact O-N 3.03Å; R257-H260 PolarHBondContact O-N 3.07Å; S258-H260 PolarHBondContact O-N 3.44Å; H260-K264 WeakPolarHBondContact NE2-CE 3.4Å; H260-K264 PolarHBondContact NE2-NZ 2.75Å; H260-K264 VanDerWaalsContact O-CE 3.31Å; H260-K264 WeakPolarHBondContact O-CE 3.27Å; H260-K264 WeakPolarHBondContact O-CG 3.15Å; H260-L311 HydrophobicContact CB-CD2 3.55Å; H260-S314 PolarHBondContact CE1-OG 3.14Å; H260-S314 PolarHBondContact ND1-OG 3.19Å; H260-Y316 PolarHBondContact ND1-OH 2.89Å
261	T	86.1	Confident	88	Confident	80 Å²	80	40 Å²	40	49%	0.491	20%	0.204	S	C	.	.	H	α-helix	trans	-70.5	-39.4	177.7	-57.2	0	0	0	0	112.2	R257 S258 F259	R257-T261 PolarHBondContact O-N 3.47Å; R257-T261 PolarHBondContact O-OG1 3.46Å; R257-T261 VanDerWaalsContact O-OG1 3.08Å; S258-T261 PolarHBondContact O-N 2.83Å; F259-T261 VanDerWaalsContact C-N 3.34Å; F259-T261 PolarHBondContact O-N 3.36Å
262	H	81.6	Confident	88	Confident	145 Å²	145	42.7 Å²	42.7	67%	0.671	22%	0.223	S	C	*	.	H	α-helix	trans	-106.2	-26.9	-170.6	-63	-60.9	0	0	0	115.7	S258	S258-H262 PolarHBondContact O-CD2 3.13Å; S258-H262 VanDerWaalsContact O-CD2 3.29Å; S258-H262 PolarHBondContact O-N 3.02Å
263	N	83	Confident	88	Confident	63 Å²	63	47.8 Å²	47.8	34%	0.337	24%	0.242	S	C	.	.			trans	-153.1	72.5	-173.7	-167.9	-11.3	0	0	0	112.3	F259 P265 Y266 S267	F259-N263 CarbonylContact O-C 3.48Å; F259-N263 VanDerWaalsContact O-CA 3.3Å; F259-N263 WeakPolarHBondContact O-CA 3.24Å; F259-N263 PolarHBondContact O-N 2.9Å; F259-N263 VanDerWaalsContact O-O 3.05Å; N263-P265 WeakPolarHBondContact OD1-CD 3.5Å; N263-P265 WeakPolarHBondContact OD1-CG 3.41Å; N263-Y266 VanDerWaalsContact CG-CB 3.42Å; N263-Y266 WeakPolarHBondContact O-CB 3.35Å; N263-Y266 PolarHBondContact O-N 3Å; N263-Y266 WeakPolarHBondContact OD1-CB 3.37Å; N263-S267 PolarHBondContact O-N 3.34Å; N263-S267 VanDerWaalsContact O-N 3.12Å
264	K	79.6	Confident	88.1	Confident	116 Å²	116	47.6 Å²	47.6	50%	0.504	24%	0.242	S	C	.	.	H	α-helix	trans	-50.2	-46.1	-175.9	-66.7	-167.1	-174.8	-143.9	0	116.2	F259 H260 Y266 S267	F259-K264 PolarHBondContact O-N 2.83Å; H260-K264 WeakPolarHBondContact NE2-CE 3.4Å; H260-K264 PolarHBondContact NE2-NZ 2.75Å; H260-K264 VanDerWaalsContact O-CE 3.31Å; H260-K264 WeakPolarHBondContact O-CE 3.27Å; H260-K264 WeakPolarHBondContact O-CG 3.15Å; K264-Y266 PolarHBondContact O-N 3.18Å; K264-S267 PolarHBondContact O-N 2.79Å; K264-S267 PolarHBondContact O-OG 3.26Å
265	P	81.4	Confident	88.2	Confident	93 Å²	93	49.4 Å²	49.4	60%	0.604	25%	0.25	S	C	*	.	H	α-helix	trans	-64.5	-30.6	179.1	25.7	-34	0	0	0	112.5	N263	N263-P265 WeakPolarHBondContact OD1-CD 3.5Å; N263-P265 WeakPolarHBondContact OD1-CG 3.41Å
266	Y	83.2	Confident	88.3	Confident	33 Å²	33	52 Å²	52	13%	0.129	27%	0.268	C	S	.	.	H	α-helix	trans	-73.6	-33.9	177.1	-166.3	-113	0	0	0	112.6	V223 W224 F259 N263 K264 V268 Q269 F270	V223-Y266 HydrophobicContact CB-CE1 4.26Å; V223-Y266 WeakPolarHBondContact CB-OH 3.32Å; V223-Y266 HydrophobicContact CG1-CE1 3.85Å; V223-Y266 WeakPolarHBondContact CG1-OH 3.49Å; V223-Y266 HydrophobicContact CG2-CE1 3.92Å; V223-Y266 WeakPolarHBondContact CG2-OH 3.4Å; W224-Y266 HydrophobicContact CZ2-CE2 4.07Å; F259-Y266 AromaticContact CD1-CD1 3.8Å; F259-Y266 HydrophobicContact CD1-CD1 3.8Å; F259-Y266 HydrophobicContact CD1-CE1 4.1Å; F259-Y266 HydrophobicContact CD2-CD1 4.45Å; F259-Y266 HydrophobicContact CE1-CD1 4.09Å; F259-Y266 AromaticContact CE1-CE1 3.9Å; F259-Y266 HydrophobicContact CE1-CE1 3.9Å; F259-Y266 HydrophobicContact CE2-CE1 4.38Å; F259-Y266 HydrophobicContact CG-CD1 4.02Å; F259-Y266 HydrophobicContact CG-CE1 4.46Å; F259-Y266 HydrophobicContact CZ-CE1 4.06Å; N263-Y266 VanDerWaalsContact CG-CB 3.42Å; N263-Y266 WeakPolarHBondContact O-CB 3.35Å; N263-Y266 PolarHBondContact O-N 3Å; N263-Y266 WeakPolarHBondContact OD1-CB 3.37Å; K264-Y266 PolarHBondContact O-N 3.18Å; Y266-V268 PolarHBondContact O-N 3.21Å; Y266-Q269 PolarHBondContact O-N 2.9Å; Y266-Q269 VanDerWaalsContact O-N 3.14Å; Y266-F270 WeakPolarHBondContact O-CB 3.48Å; Y266-F270 PolarHBondContact O-N 2.89Å
267	S	88	Confident	88.4	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.007	27%	0.274	C	S	.	.	H	α-helix	trans	-58.9	-32.8	174.6	73.1	0	0	0	0	113.4	L256 N263 K264 F271 Y316	L256-S267 WeakPolarHBondContact CD1-O 3.41Å; N263-S267 PolarHBondContact O-N 3.34Å; N263-S267 VanDerWaalsContact O-N 3.12Å; K264-S267 PolarHBondContact O-N 2.79Å; K264-S267 PolarHBondContact O-OG 3.26Å; S267-F271 WeakPolarHBondContact O-CB 3.48Å; S267-F271 PolarHBondContact O-N 2.7Å; S267-Y316 PolarHBondContact OG-OH 3.49Å; S267-Y316 VanDerWaalsContact OG-OH 3.06Å
268	V	87.8	Confident	88.7	Confident	78 Å²	78	50.6 Å²	50.6	47%	0.473	26%	0.264	S	S	.	.	H	α-helix	trans	-70.2	-42.4	175.7	-178.8	0	0	0	0	111.5	Y266 F271 S272 Y316	Y266-V268 PolarHBondContact O-N 3.21Å; V268-F271 PolarHBondContact O-N 3.34Å; V268-S272 PolarHBondContact O-N 3.17Å; V268-Y316 HydrophobicContact CG2-CD1 4.45Å; V268-Y316 HydrophobicContact CG2-CE1 4.04Å
269	Q	88.5	Confident	89	Confident	117 Å²	117	53.9 Å²	53.9	55%	0.547	28%	0.276	S	S	.	.	H	α-helix	trans	-64.7	-42.3	175.9	-63.9	-178.2	0.8	0	0	111.4	Y266 S272 R273	Y266-Q269 PolarHBondContact O-N 2.9Å; Y266-Q269 VanDerWaalsContact O-N 3.14Å; Q269-S272 PolarHBondContact O-N 3.04Å; Q269-R273 PolarHBondContact O-N 3.39Å
270	F	91.5	Very high	89.3	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-60.6	-47	175.5	-172	-108.9	0	0	0	111.6	V223 W224 F226 L227 L252 A255 L256 F259 Y266 R273 I274	V223-F270 HydrophobicContact CG1-CD2 3.73Å; V223-F270 HydrophobicContact CG1-CE2 3.76Å; W224-F270 HydrophobicContact CZ3-CD2 4.32Å; F226-F270 HydrophobicContact CE1-CZ 4.4Å; L227-F270 HydrophobicContact CB-CE2 4.17Å; L227-F270 HydrophobicContact CD1-CE2 4.15Å; L227-F270 HydrophobicContact CD1-CZ 4.29Å; L227-F270 HydrophobicContact CD2-CE2 4.41Å; L227-F270 HydrophobicContact CG-CE2 4.48Å; L252-F270 HydrophobicContact CD2-CZ 4.39Å; A255-F270 HydrophobicContact CB-CE1 3.61Å; A255-F270 HydrophobicContact CB-CZ 3.57Å; L256-F270 HydrophobicContact CB-CD1 4.2Å; L256-F270 HydrophobicContact CB-CE1 4.26Å; L256-F270 HydrophobicContact CD1-CD1 4.18Å; F259-F270 HydrophobicContact CD2-CB 4.25Å; F259-F270 AromaticContact CD2-CD1 3.8Å; F259-F270 HydrophobicContact CD2-CD1 3.8Å; F259-F270 HydrophobicContact CD2-CD2 4.21Å; F259-F270 HydrophobicContact CD2-CE1 4.15Å; F259-F270 AromaticContact CD2-CG 3.83Å; F259-F270 HydrophobicContact CD2-CG 3.83Å; F259-F270 HydrophobicContact CE2-CD1 4.04Å; F259-F270 AromaticContact CE2-CD2 3.8Å; F259-F270 HydrophobicContact CE2-CD2 3.8Å; F259-F270 HydrophobicContact CE2-CE1 4.06Å; F259-F270 AromaticContact CE2-CE2 3.83Å; F259-F270 HydrophobicContact CE2-CE2 3.83Å; F259-F270 AromaticContact CE2-CG 3.91Å; F259-F270 HydrophobicContact CE2-CG 3.91Å; F259-F270 AromaticContact CE2-CZ 3.98Å; F259-F270 HydrophobicContact CE2-CZ 3.98Å; Y266-F270 WeakPolarHBondContact O-CB 3.48Å; Y266-F270 PolarHBondContact O-N 2.89Å; F270-R273 PolarHBondContact O-N 3.21Å; F270-I274 HydrophobicContact CD1-CD1 3.73Å; F270-I274 HydrophobicContact CE1-CD1 3.54Å; F270-I274 HydrophobicContact CG-CD1 4.5Å; F270-I274 HydrophobicContact CZ-CD1 4.15Å; F270-I274 WeakPolarHBondContact O-CG1 3.27Å; F270-I274 PolarHBondContact O-N 2.97Å
271	F	93.3	Very high	89.5	Confident	5 Å²	5	57.5 Å²	57.5	2%	0.022	29%	0.293	C	S	.	.	H	α-helix	trans	-59.9	-48.5	175.7	-171	-79.7	0	0	0	112.6	L256 S267 V268 R273 I274 E275 F301 V305 Y316 G317 I319	L256-F271 HydrophobicContact CD1-CB 4.14Å; L256-F271 HydrophobicContact CD1-CD2 4.4Å; L256-F271 HydrophobicContact CD2-CD2 3.84Å; L256-F271 HydrophobicContact CD2-CE2 4.46Å; S267-F271 WeakPolarHBondContact O-CB 3.48Å; S267-F271 PolarHBondContact O-N 2.7Å; V268-F271 PolarHBondContact O-N 3.34Å; F271-R273 PolarHBondContact O-N 3.41Å; F271-I274 WeakPolarHBondContact O-CB 3.3Å; F271-I274 PolarHBondContact O-N 2.58Å; F271-I274 VanDerWaalsContact O-N 3.07Å; F271-E275 HydrophobicContact CE1-CB 4.48Å; F271-E275 PolarHBondContact O-N 3.47Å; F271-F301 HydrophobicContact CD2-CE1 4.45Å; F271-F301 HydrophobicContact CD2-CZ 4.25Å; F271-F301 AromaticContact CE2-CE1 3.91Å; F271-F301 HydrophobicContact CE2-CE1 3.91Å; F271-F301 HydrophobicContact CE2-CZ 4.11Å; F271-V305 HydrophobicContact CE2-CG1 4.33Å; F271-Y316 HydrophobicContact CB-CD1 3.82Å; F271-Y316 HydrophobicContact CB-CE1 4.25Å; F271-Y316 HydrophobicContact CB-CG 4.41Å; F271-Y316 HydrophobicContact CD1-CD1 4.45Å; F271-Y316 HydrophobicContact CD1-CG 4.44Å; F271-Y316 HydrophobicContact CD2-CD1 4.1Å; F271-Y316 HydrophobicContact CD2-CD2 4.28Å; F271-Y316 AromaticContact CD2-CG 3.84Å; F271-Y316 HydrophobicContact CD2-CG 3.84Å; F271-Y316 HydrophobicContact CE2-CG 4.23Å; F271-Y316 AromaticContact CG-CD1 3.86Å; F271-Y316 HydrophobicContact CG-CD1 3.86Å; F271-Y316 AromaticContact CG-CG 3.96Å; F271-Y316 HydrophobicContact CG-CG 3.96Å; F271-G317 VanDerWaalsContact CE1-O 3.23Å; F271-G317 WeakPolarHBondContact CE1-O 3.43Å; F271-G317 WeakPolarHBondContact CZ-O 3.23Å; F271-I319 HydrophobicContact CZ-CB 4.31Å; F271-I319 HydrophobicContact CZ-CG2 4.42Å
272	S	91.6	Very high	89.8	Confident	57 Å²	57	54.1 Å²	54.1	40%	0.399	27%	0.274	S	S	.	.	H	α-helix	trans	-62.7	-30.9	179.8	-174.9	0	0	0	0	112.3	V268 Q269 S276	V268-S272 PolarHBondContact O-N 3.17Å; Q269-S272 PolarHBondContact O-N 3.04Å; S272-S276 WeakPolarHBondContact O-CB 3.43Å; S272-S276 PolarHBondContact O-N 2.84Å; S272-S276 PolarHBondContact O-OG 3.31Å
273	R	92.5	Very high	90.3	Very high	109 Å²	109	52.5 Å²	52.5	41%	0.411	27%	0.266	S	S	.	.	H	α-helix	trans	-73.7	-35	173.2	-162	66.3	-179.6	84.6	-3.5	112.8	W224 L227 Q269 F270 F271 S276 N277	W224-R273 HydrophobicContact CE3-CG 4.25Å; W224-R273 HydrophobicContact CH2-CB 4.36Å; W224-R273 HydrophobicContact CZ3-CB 3.75Å; W224-R273 HydrophobicContact CZ3-CG 3.83Å; L227-R273 HydrophobicContact CD2-CB 3.8Å; L227-R273 HydrophobicContact CD2-CG 3.5Å; L227-R273 VanDerWaalsContact CD2-CG 3.5Å; Q269-R273 PolarHBondContact O-N 3.39Å; F270-R273 PolarHBondContact O-N 3.21Å; F271-R273 PolarHBondContact O-N 3.41Å; R273-S276 PolarHBondContact O-N 2.8Å; R273-N277 VanDerWaalsContact NH1-CG 3.32Å; R273-N277 PolarHBondContact NH1-ND2 2.96Å; R273-N277 PolarHBondContact NH1-OD1 3.46Å; R273-N277 PolarHBondContact O-N 2.91Å; R273-N277 PolarHBondContact O-ND2 3.02Å
274	I	94.8	Very high	90.7	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-60.3	-53.1	170.3	-70.5	164.9	0	0	0	110.3	L227 M231 L252 F270 F271 S276 N277 F278 F301 I319	L227-I274 HydrophobicContact CD1-CD1 4.49Å; L227-I274 HydrophobicContact CD1-CG1 3.63Å; M231-I274 HydrophobicContact SD-CG1 4.36Å; M231-I274 HydrophobicContact SD-CG2 4.39Å; L252-I274 HydrophobicContact CB-CD1 4.21Å; L252-I274 HydrophobicContact CD1-CG1 4.44Å; L252-I274 HydrophobicContact CD1-CG2 4.21Å; L252-I274 HydrophobicContact CD2-CD1 4.09Å; L252-I274 HydrophobicContact CD2-CG1 4.16Å; F270-I274 HydrophobicContact CD1-CD1 3.73Å; F270-I274 HydrophobicContact CE1-CD1 3.54Å; F270-I274 HydrophobicContact CG-CD1 4.5Å; F270-I274 HydrophobicContact CZ-CD1 4.15Å; F270-I274 WeakPolarHBondContact O-CG1 3.27Å; F270-I274 PolarHBondContact O-N 2.97Å; F271-I274 WeakPolarHBondContact O-CB 3.3Å; F271-I274 PolarHBondContact O-N 2.58Å; F271-I274 VanDerWaalsContact O-N 3.07Å; I274-S276 VanDerWaalsContact C-N 3.28Å; I274-S276 PolarHBondContact O-N 2.99Å; I274-N277 PolarHBondContact O-N 3.48Å; I274-F278 HydrophobicContact CG2-CD2 3.62Å; I274-F278 HydrophobicContact CG2-CE2 3.45Å; I274-F278 VanDerWaalsContact CG2-CE2 3.45Å; I274-F278 WeakPolarHBondContact O-CD2 3.39Å; I274-F278 PolarHBondContact O-N 2.95Å; I274-F301 HydrophobicContact CD1-CE2 4.32Å; I274-F301 HydrophobicContact CD1-CZ 3.96Å; I274-F301 HydrophobicContact CG2-CE1 3.92Å; I274-F301 HydrophobicContact CG2-CZ 4.12Å; I274-I319 HydrophobicContact CG2-CD1 4.39Å
275	E	94.1	Very high	91.2	Very high	48 Å²	48	50.8 Å²	50.8	22%	0.224	26%	0.259	C	S	.	.	H	α-helix	trans	-53.4	-45.4	175.8	-178.3	177.8	-150.5	0	0	111.4	F271 N277 F278 K279 E322	F271-E275 HydrophobicContact CE1-CB 4.48Å; F271-E275 PolarHBondContact O-N 3.47Å; E275-N277 PolarHBondContact O-N 3.07Å; E275-F278 PolarHBondContact O-N 2.87Å; E275-K279 WeakPolarHBondContact O-CB 3.34Å; E275-K279 PolarHBondContact O-N 3.03Å; E275-E322 HydrophobicContact CG-CG 4.22Å
276	S	93.4	Very high	91.6	Very high	54 Å²	54	50.6 Å²	50.6	38%	0.378	26%	0.26	S	S	.	.	H	α-helix	trans	-62.1	-36.5	176.9	-60.8	0	0	0	0	113.7	S272 R273 I274 Q280	S272-S276 WeakPolarHBondContact O-CB 3.43Å; S272-S276 PolarHBondContact O-N 2.84Å; S272-S276 PolarHBondContact O-OG 3.31Å; R273-S276 PolarHBondContact O-N 2.8Å; I274-S276 VanDerWaalsContact C-N 3.28Å; I274-S276 PolarHBondContact O-N 2.99Å; S276-Q280 PolarHBondContact O-N 3.04Å
277	N	94	Very high	92.1	Very high	23 Å²	23	50.8 Å²	50.8	12%	0.123	27%	0.267	C	S	.	.	H	α-helix	trans	-73	-39.6	176.2	-75	-45.6	0	0	0	111.7	M231 R273 I274 E275 K279 Q280 I281	M231-N277 HydrophobicContact CE-CB 3.49Å; M231-N277 VanDerWaalsContact CE-CB 3.49Å; M231-N277 HydrophobicContact SD-CB 3.54Å; M231-N277 VanDerWaalsContact SD-CB 3.54Å; R273-N277 VanDerWaalsContact NH1-CG 3.32Å; R273-N277 PolarHBondContact NH1-ND2 2.96Å; R273-N277 PolarHBondContact NH1-OD1 3.46Å; R273-N277 PolarHBondContact O-N 2.91Å; R273-N277 PolarHBondContact O-ND2 3.02Å; I274-N277 PolarHBondContact O-N 3.48Å; E275-N277 PolarHBondContact O-N 3.07Å; N277-K279 VanDerWaalsContact C-N 3.33Å; N277-K279 PolarHBondContact O-N 3.31Å; N277-Q280 WeakPolarHBondContact O-CB 3.47Å; N277-Q280 PolarHBondContact O-N 2.87Å; N277-Q280 VanDerWaalsContact O-N 3.16Å; N277-I281 WeakPolarHBondContact O-CG1 3.26Å; N277-I281 PolarHBondContact O-N 2.76Å
278	F	95.2	Very high	92.3	Very high	1 Å²	1	52.8 Å²	52.8	0%	0.004	28%	0.275	C	S	.	.	H	α-helix	trans	-64.7	-37.5	174.2	-77.4	-65.8	0	0	0	112.3	M231 L252 I274 E275 Q280 I281 A282 W294 A298 I319 E322 I326	M231-F278 HydrophobicContact CE-CD1 4.06Å; M231-F278 HydrophobicContact CE-CD2 3.63Å; M231-F278 HydrophobicContact CE-CE1 3.98Å; M231-F278 HydrophobicContact CE-CE2 3.59Å; M231-F278 HydrophobicContact CE-CG 3.92Å; M231-F278 HydrophobicContact CE-CZ 3.77Å; L252-F278 HydrophobicContact CD1-CE2 4.34Å; L252-F278 HydrophobicContact CD1-CZ 4.44Å; I274-F278 HydrophobicContact CG2-CD2 3.62Å; I274-F278 HydrophobicContact CG2-CE2 3.45Å; I274-F278 VanDerWaalsContact CG2-CE2 3.45Å; I274-F278 WeakPolarHBondContact O-CD2 3.39Å; I274-F278 PolarHBondContact O-N 2.95Å; E275-F278 PolarHBondContact O-N 2.87Å; F278-Q280 VanDerWaalsContact C-N 3.35Å; F278-I281 HydrophobicContact CD1-CD1 4.15Å; F278-I281 PolarHBondContact O-N 2.71Å; F278-A282 PolarHBondContact O-N 2.86Å; F278-W294 AromaticContact CE1-CE3 3.97Å; F278-W294 HydrophobicContact CE1-CE3 3.97Å; F278-A298 HydrophobicContact CD1-CB 3.79Å; F278-A298 HydrophobicContact CE1-CB 3.52Å; F278-A298 HydrophobicContact CG-CB 4.45Å; F278-A298 HydrophobicContact CZ-CB 3.94Å; F278-I319 HydrophobicContact CD2-CD1 3.48Å; F278-I319 VanDerWaalsContact CD2-CD1 3.48Å; F278-I319 HydrophobicContact CE2-CD1 3.82Å; F278-I319 HydrophobicContact CG-CD1 4.26Å; F278-E322 HydrophobicContact CB-CB 4.17Å; F278-I326 HydrophobicContact CB-CD1 4.3Å; F278-I326 HydrophobicContact CD1-CD1 3.82Å; F278-I326 HydrophobicContact CG-CD1 4.5Å
279	K	94	Very high	92.5	Very high	88 Å²	88	51.7 Å²	51.7	38%	0.383	27%	0.267	S	S	.	.	H	α-helix	trans	-59.4	-43	169.1	-177.5	178.1	174.6	-174.4	0	112.4	E275 N277 A282 Q283 E322	E275-K279 WeakPolarHBondContact O-CB 3.34Å; E275-K279 PolarHBondContact O-N 3.03Å; N277-K279 VanDerWaalsContact C-N 3.33Å; N277-K279 PolarHBondContact O-N 3.31Å; K279-A282 PolarHBondContact O-N 3.3Å; K279-Q283 WeakPolarHBondContact O-CG 3.39Å; K279-Q283 PolarHBondContact O-N 3.16Å; K279-E322 WeakPolarHBondContact CA-OE2 3.41Å; K279-E322 HydrophobicContact CB-CG 4.25Å; K279-E322 WeakPolarHBondContact CB-OE2 3.25Å
280	Q	93.4	Very high	92.7	Very high	80 Å²	80	47.2 Å²	47.2	37%	0.374	25%	0.247	S	C	.	.	H	α-helix	trans	-63.6	-46	176.1	-172.2	178.5	-10.3	0	0	111.5	S276 N277 F278 A282 Q283 E284	S276-Q280 PolarHBondContact O-N 3.04Å; N277-Q280 WeakPolarHBondContact O-CB 3.47Å; N277-Q280 PolarHBondContact O-N 2.87Å; N277-Q280 VanDerWaalsContact O-N 3.16Å; F278-Q280 VanDerWaalsContact C-N 3.35Å; Q280-A282 VanDerWaalsContact C-N 3.3Å; Q280-A282 PolarHBondContact O-N 2.7Å; Q280-Q283 PolarHBondContact O-N 3.44Å; Q280-E284 HydrophobicContact CG-CG 4.15Å; Q280-E284 WeakPolarHBondContact CG-OE1 3.46Å; Q280-E284 WeakPolarHBondContact CG-OE2 3.35Å; Q280-E284 PolarHBondContact NE2-OE1 3.02Å; Q280-E284 PolarHBondContact NE2-OE2 3.11Å; Q280-E284 WeakPolarHBondContact O-CB 3.35Å; Q280-E284 PolarHBondContact O-N 2.89Å
281	I	92.9	Very high	92.9	Very high	16 Å²	16	47.2 Å²	47.2	8%	0.082	25%	0.247	C	C	.	.	H	α-helix	trans	-55.1	-45.1	174.2	-70.6	158.5	0	0	0	110.9	M231 N277 F278 Q283 C285 W294 I326	M231-I281 HydrophobicContact CE-CD1 4.3Å; N277-I281 WeakPolarHBondContact O-CG1 3.26Å; N277-I281 PolarHBondContact O-N 2.76Å; F278-I281 HydrophobicContact CD1-CD1 4.15Å; F278-I281 PolarHBondContact O-N 2.71Å; I281-Q283 PolarHBondContact O-N 3.43Å; I281-C285 HydrophobicContact CG2-CB 4.31Å; I281-C285 WeakPolarHBondContact O-CB 3.36Å; I281-C285 PolarHBondContact O-N 2.67Å; I281-C285 VanDerWaalsContact O-N 3.08Å; I281-W294 HydrophobicContact CD1-CD2 3.7Å; I281-W294 HydrophobicContact CD1-CE3 4.19Å; I281-W294 HydrophobicContact CD1-CG 3.83Å; I281-W294 HydrophobicContact CG1-CG 4.42Å; I281-W294 HydrophobicContact CG2-CB 3.79Å; I281-W294 HydrophobicContact CG2-CG 3.79Å; I281-I326 HydrophobicContact CG2-CD1 4.46Å; I281-I326 HydrophobicContact CG2-CG1 4.47Å
282	A	92.9	Very high	93	Very high	9 Å²	9	47 Å²	47	7%	0.074	25%	0.246	C	C	.	.	H	α-helix	trans	-64.7	-22.2	178.9	0	0	0	0	0	114.4	F278 K279 Q280 R325 I326 R329	F278-A282 PolarHBondContact O-N 2.86Å; K279-A282 PolarHBondContact O-N 3.3Å; Q280-A282 VanDerWaalsContact C-N 3.3Å; Q280-A282 PolarHBondContact O-N 2.7Å; A282-R325 HydrophobicContact CB-CB 3.73Å; A282-I326 HydrophobicContact CB-CG1 3.78Å; A282-R329 WeakPolarHBondContact O-CG 3.45Å
283	Q	92.1	Very high	93.1	Very high	111 Å²	111	44.4 Å²	44.4	52%	0.519	23%	0.227	S	C	.	.	H	α-helix	trans	-98.1	-43.8	-177.5	-70.3	179	-18.8	0	0	112.4	K279 Q280 I281 R329	K279-Q283 WeakPolarHBondContact O-CG 3.39Å; K279-Q283 PolarHBondContact O-N 3.16Å; Q280-Q283 PolarHBondContact O-N 3.44Å; I281-Q283 PolarHBondContact O-N 3.43Å; Q283-R329 VanDerWaalsContact O-CZ 3.3Å; Q283-R329 PolarHBondContact O-NH1 2.59Å; Q283-R329 PolarHBondContact O-NH2 3.07Å
284	E	90.3	Very high	93.2	Very high	130 Å²	130	39.2 Å²	39.2	61%	0.607	21%	0.208	S	C	*	.	H	α-helix	trans	-94.9	-33.4	-170.6	-65.2	178.6	-176.4	0	0	113.1	Q280	Q280-E284 HydrophobicContact CG-CG 4.15Å; Q280-E284 WeakPolarHBondContact CG-OE1 3.46Å; Q280-E284 WeakPolarHBondContact CG-OE2 3.35Å; Q280-E284 PolarHBondContact NE2-OE1 3.02Å; Q280-E284 PolarHBondContact NE2-OE2 3.11Å; Q280-E284 WeakPolarHBondContact O-CB 3.35Å; Q280-E284 PolarHBondContact O-N 2.89Å
285	C	90.2	Very high	93.2	Very high	13 Å²	13	39.2 Å²	39.2	9%	0.088	21%	0.208	C	C	.	.			trans	-69.3	138.8	-174.1	-165.4	0	0	0	0	112.1	I281 L291 R329	I281-C285 HydrophobicContact CG2-CB 4.31Å; I281-C285 WeakPolarHBondContact O-CB 3.36Å; I281-C285 PolarHBondContact O-N 2.67Å; I281-C285 VanDerWaalsContact O-N 3.08Å; C285-L291 HydrophobicContact CB-CD2 3.92Å; C285-L291 HydrophobicContact CB-CG 4.12Å; C285-R329 VanDerWaalsContact O-CZ 3.26Å; C285-R329 PolarHBondContact O-NE 3.48Å; C285-R329 PolarHBondContact O-NH2 3.05Å
286	S	90.4	Very high	93.3	Very high	89 Å²	89	37 Å²	37	62%	0.622	20%	0.197	S	C	*	.			trans	-124.9	-9.2	-179.2	55.6	0	0	0	0	113.6	V333	S286-V333 WeakPolarHBondContact O-CG1 3.24Å
287	S	92.6	Very high	93.3	Very high	38 Å²	38	34.4 Å²	34.4	27%	0.266	18%	0.18	S	C	.	.			trans	-83	123.3	179	165.8	0	0	0	0	110	D289 D290 L291	S287-D289 VanDerWaalsContact C-N 3.25Å; S287-D289 PolarHBondContact O-N 2.83Å; S287-D290 WeakPolarHBondContact CB-OD2 3.47Å; S287-D290 VanDerWaalsContact OG-CG 3.3Å; S287-D290 PolarHBondContact OG-N 2.87Å; S287-D290 PolarHBondContact OG-OD2 3.3Å; S287-L291 WeakPolarHBondContact O-CB 3.31Å; S287-L291 WeakPolarHBondContact O-CD1 3.37Å; S287-L291 VanDerWaalsContact O-CG 3.3Å; S287-L291 WeakPolarHBondContact O-CG 3.48Å; S287-L291 PolarHBondContact O-N 2.8Å
288	K	93.1	Very high	93.3	Very high	42 Å²	42	33.3 Å²	33.3	18%	0.183	17%	0.174	C	C	.	.	H	α-helix	trans	-60.5	-36.9	177.8	58	136.4	-174.6	155.6	0	112.1	L291 I292 L330 V333 L334 T365	K288-L291 PolarHBondContact O-N 2.69Å; K288-I292 WeakPolarHBondContact O-CD1 3.43Å; K288-I292 WeakPolarHBondContact O-CG1 3.43Å; K288-I292 PolarHBondContact O-N 3.27Å; K288-L330 HydrophobicContact CB-CD1 4.03Å; K288-L330 WeakPolarHBondContact O-CD1 3.01Å; K288-V333 HydrophobicContact CB-CG1 4.17Å; K288-L334 HydrophobicContact CB-CD2 3.99Å; K288-L334 HydrophobicContact CB-CG 4.48Å; K288-L334 HydrophobicContact CD-CD2 3.94Å; K288-L334 HydrophobicContact CG-CD2 4.44Å; K288-T365 PolarHBondContact NZ-OG1 3.33Å
289	D	91.9	Very high	93.3	Very high	56 Å²	56	33.9 Å²	33.9	30%	0.299	18%	0.177	S	C	.	.	H	α-helix	trans	-79.7	-32.1	-172	-58.7	-43	0	0	0	111.6	S287 F293 Q369	S287-D289 VanDerWaalsContact C-N 3.25Å; S287-D289 PolarHBondContact O-N 2.83Å; D289-F293 WeakPolarHBondContact O-CB 3.5Å; D289-F293 PolarHBondContact O-N 3.26Å; D289-F293 VanDerWaalsContact O-N 3.1Å; D289-Q369 HydrophobicContact CB-CG 4.05Å
290	D	92.4	Very high	93.2	Very high	23 Å²	23	29.9 Å²	29.9	12%	0.123	16%	0.16	C	C	.	.	H	α-helix	trans	-72.1	-39.3	169.9	-61.5	-47.8	0	0	0	111.6	A236 S287 F293 W294	A236-D290 HydrophobicContact CB-CB 4.31Å; A236-D290 WeakPolarHBondContact CB-OD1 3.44Å; S287-D290 WeakPolarHBondContact CB-OD2 3.47Å; S287-D290 VanDerWaalsContact OG-CG 3.3Å; S287-D290 PolarHBondContact OG-N 2.87Å; S287-D290 PolarHBondContact OG-OD2 3.3Å; D290-F293 PolarHBondContact O-N 3.23Å; D290-W294 WeakPolarHBondContact O-CB 3.43Å; D290-W294 VanDerWaalsContact O-CD1 3.23Å; D290-W294 PolarHBondContact O-N 3.09Å
291	L	95.1	Very high	93.2	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-63.7	-38.9	174.7	-77.7	165	0	0	0	111.9	C285 S287 K288 L295 I326 R329 L330 V333	C285-L291 HydrophobicContact CB-CD2 3.92Å; C285-L291 HydrophobicContact CB-CG 4.12Å; S287-L291 WeakPolarHBondContact O-CB 3.31Å; S287-L291 WeakPolarHBondContact O-CD1 3.37Å; S287-L291 VanDerWaalsContact O-CG 3.3Å; S287-L291 WeakPolarHBondContact O-CG 3.48Å; S287-L291 PolarHBondContact O-N 2.8Å; K288-L291 PolarHBondContact O-N 2.69Å; L291-L295 WeakPolarHBondContact O-CB 3.46Å; L291-L295 PolarHBondContact O-N 3.14Å; L291-I326 HydrophobicContact CD2-CG2 4.07Å; L291-R329 HydrophobicContact CD1-CG 3.89Å; L291-R329 HydrophobicContact CD2-CB 4.31Å; L291-R329 HydrophobicContact CD2-CG 3.86Å; L291-L330 HydrophobicContact CB-CB 4.16Å; L291-L330 HydrophobicContact CB-CD1 3.95Å; L291-V333 HydrophobicContact CD1-CB 4.42Å; L291-V333 HydrophobicContact CD1-CG2 3.87Å
292	I	95.4	Very high	93.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-64	-45.5	172.6	-71.3	162	0	0	0	111	K288 L295 A296 L330 T366 Q369 A370 C373	K288-I292 WeakPolarHBondContact O-CD1 3.43Å; K288-I292 WeakPolarHBondContact O-CG1 3.43Å; K288-I292 PolarHBondContact O-N 3.27Å; I292-L295 PolarHBondContact O-N 3.33Å; I292-A296 PolarHBondContact O-N 2.92Å; I292-L330 HydrophobicContact CD1-CD1 4.33Å; I292-L330 HydrophobicContact CG1-CD1 3.87Å; I292-L330 HydrophobicContact CG1-CD2 3.58Å; I292-L330 HydrophobicContact CG1-CG 4.39Å; I292-T366 HydrophobicContact CD1-CG2 3.96Å; I292-Q369 HydrophobicContact CB-CG 4.31Å; I292-Q369 HydrophobicContact CD1-CB 4.23Å; I292-Q369 HydrophobicContact CD1-CG 4.04Å; I292-Q369 HydrophobicContact CG2-CG 4.03Å; I292-A370 HydrophobicContact CG2-CB 4.25Å; I292-C373 HydrophobicContact CG2-CB 4.01Å
293	F	94.1	Very high	93	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.009	14%	0.14	C	C	.	.	H	α-helix	trans	-60.3	-44.7	177.3	174.1	-91.7	0	0	0	112.4	A235 A236 R245 P248 D289 D290 N297	A235-F293 HydrophobicContact CB-CE1 4.22Å; A235-F293 HydrophobicContact CB-CZ 4.08Å; A235-F293 WeakPolarHBondContact O-CE2 3.43Å; A235-F293 VanDerWaalsContact O-CZ 3.23Å; A235-F293 WeakPolarHBondContact O-CZ 3.49Å; A236-F293 HydrophobicContact CB-CB 4.21Å; A236-F293 HydrophobicContact CB-CD1 3.39Å; A236-F293 HydrophobicContact CB-CD2 4.49Å; A236-F293 HydrophobicContact CB-CE1 3.78Å; A236-F293 HydrophobicContact CB-CG 3.78Å; A236-F293 HydrophobicContact CB-CZ 4.47Å; R245-F293 HydrophobicContact CB-CE2 4.38Å; R245-F293 WeakPolarHBondContact O-CE2 3.47Å; P248-F293 HydrophobicContact CG-CE1 4.32Å; P248-F293 HydrophobicContact CG-CZ 3.88Å; D289-F293 WeakPolarHBondContact O-CB 3.5Å; D289-F293 PolarHBondContact O-N 3.26Å; D289-F293 VanDerWaalsContact O-N 3.1Å; D290-F293 PolarHBondContact O-N 3.23Å; F293-N297 PolarHBondContact O-N 3.19Å; F293-N297 VanDerWaalsContact O-N 3.09Å; F293-N297 PolarHBondContact O-ND2 3.01Å
294	W	94.8	Very high	92.9	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-73.7	-32.7	178.4	-73.9	126	0	0	0	113.2	V230 N233 A235 P248 F278 I281 D290 N297 A298	V230-W294 WeakPolarHBondContact O-CH2 3.45Å; N233-W294 PolarHBondContact OD1-NE1 2.65Å; A235-W294 HydrophobicContact CB-CH2 4.44Å; P248-W294 HydrophobicContact CB-CZ3 4.14Å; P248-W294 HydrophobicContact CG-CZ3 4.48Å; F278-W294 AromaticContact CE1-CE3 3.97Å; F278-W294 HydrophobicContact CE1-CE3 3.97Å; I281-W294 HydrophobicContact CD1-CD2 3.7Å; I281-W294 HydrophobicContact CD1-CE3 4.19Å; I281-W294 HydrophobicContact CD1-CG 3.83Å; I281-W294 HydrophobicContact CG1-CG 4.42Å; I281-W294 HydrophobicContact CG2-CB 3.79Å; I281-W294 HydrophobicContact CG2-CG 3.79Å; D290-W294 WeakPolarHBondContact O-CB 3.43Å; D290-W294 VanDerWaalsContact O-CD1 3.23Å; D290-W294 PolarHBondContact O-N 3.09Å; W294-N297 HydrophobicContact CE3-CB 4.18Å; W294-N297 HydrophobicContact CZ3-CB 4.45Å; W294-N297 PolarHBondContact O-N 3.15Å; W294-A298 WeakPolarHBondContact O-CB 3.42Å; W294-A298 PolarHBondContact O-N 3.14Å
295	L	95.8	Very high	92.9	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-62.3	-44.5	172.2	-177.4	67.1	0	0	0	111.5	L291 I292 S299 I323 I326 F327 L330 L375 L379	L291-L295 WeakPolarHBondContact O-CB 3.46Å; L291-L295 PolarHBondContact O-N 3.14Å; I292-L295 PolarHBondContact O-N 3.33Å; L295-S299 WeakPolarHBondContact O-CB 3.33Å; L295-S299 PolarHBondContact O-N 2.9Å; L295-S299 PolarHBondContact O-OG 2.58Å; L295-I323 HydrophobicContact CD1-CG2 3.93Å; L295-I326 HydrophobicContact CB-CG2 3.87Å; L295-I326 HydrophobicContact CD1-CB 4.39Å; L295-I326 HydrophobicContact CD1-CG2 4.22Å; L295-F327 HydrophobicContact CD1-CB 4.04Å; L295-F327 HydrophobicContact CD2-CD2 3.92Å; L295-L330 HydrophobicContact CD2-CD2 4.23Å; L295-L375 HydrophobicContact CB-CD1 4.29Å; L295-L375 HydrophobicContact CD2-CD1 3.79Å; L295-L375 HydrophobicContact CD2-CD2 4.14Å; L295-L375 HydrophobicContact CG-CD1 3.78Å; L295-L379 HydrophobicContact CG-CD1 4.47Å
296	A	94.3	Very high	92.7	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.008	11%	0.106	C	C	.	.	H	α-helix	trans	-61.1	-49.6	175.8	0	0	0	0	0	111.1	L246 I292 A298 S299 E300 C373 L375	L246-A296 HydrophobicContact CD2-CB 3.94Å; I292-A296 PolarHBondContact O-N 2.92Å; A296-A298 PolarHBondContact O-N 3.19Å; A296-S299 PolarHBondContact O-N 3.35Å; A296-S299 PolarHBondContact O-OG 2.91Å; A296-S299 VanDerWaalsContact O-OG 3.08Å; A296-E300 WeakPolarHBondContact O-CB 3.43Å; A296-E300 PolarHBondContact O-N 2.81Å; A296-C373 HydrophobicContact CB-CB 4.2Å; A296-C373 WeakPolarHBondContact CB-O 3.42Å; A296-L375 HydrophobicContact CB-CB 4.25Å; A296-L375 HydrophobicContact CB-CD1 4.09Å
297	N	93.9	Very high	92.5	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.005	9%	0.089	C	C	.	.	H	α-helix	trans	-66	-37.6	178.8	-82.6	-85.7	0	0	0	113.7	R245 L246 P248 A249 F293 W294 F301	R245-N297 PolarHBondContact O-ND2 2.95Å; L246-N297 WeakPolarHBondContact CA-OD1 3.27Å; L246-N297 PolarHBondContact O-OD1 3Å; P248-N297 WeakPolarHBondContact CB-OD1 3.37Å; P248-N297 VanDerWaalsContact CD-OD1 3.29Å; P248-N297 WeakPolarHBondContact CD-OD1 3.46Å; A249-N297 HydrophobicContact CB-CB 4.26Å; A249-N297 VanDerWaalsContact CB-O 3.28Å; A249-N297 WeakPolarHBondContact CB-O 3.29Å; A249-N297 PolarHBondContact N-OD1 2.73Å; F293-N297 PolarHBondContact O-N 3.19Å; F293-N297 VanDerWaalsContact O-N 3.09Å; F293-N297 PolarHBondContact O-ND2 3.01Å; W294-N297 HydrophobicContact CE3-CB 4.18Å; W294-N297 HydrophobicContact CZ3-CB 4.45Å; W294-N297 PolarHBondContact O-N 3.15Å; N297-F301 VanDerWaalsContact O-CB 3.25Å; N297-F301 WeakPolarHBondContact O-CB 3.46Å; N297-F301 PolarHBondContact O-N 3.31Å
298	A	94.9	Very high	92.2	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-66.9	-43.4	177.7	0	0	0	0	0	111.8	F278 W294 A296 N302 I323 I326	F278-A298 HydrophobicContact CD1-CB 3.79Å; F278-A298 HydrophobicContact CE1-CB 3.52Å; F278-A298 HydrophobicContact CG-CB 4.45Å; F278-A298 HydrophobicContact CZ-CB 3.94Å; W294-A298 WeakPolarHBondContact O-CB 3.42Å; W294-A298 PolarHBondContact O-N 3.14Å; A296-A298 PolarHBondContact O-N 3.19Å; A298-N302 PolarHBondContact O-N 3.2Å; A298-I323 HydrophobicContact CB-CG1 3.76Å; A298-I326 HydrophobicContact CB-CD1 4.15Å
299	S	94.6	Very high	91.8	Very high	12 Å²	12	18.3 Å²	18.3	8%	0.084	9%	0.094	C	C	.	.	H	α-helix	trans	-69.1	-42.1	179.6	61.4	0	0	0	0	112.9	L295 A296 N302 H303	L295-S299 WeakPolarHBondContact O-CB 3.33Å; L295-S299 PolarHBondContact O-N 2.9Å; L295-S299 PolarHBondContact O-OG 2.58Å; A296-S299 PolarHBondContact O-N 3.35Å; A296-S299 PolarHBondContact O-OG 2.91Å; A296-S299 VanDerWaalsContact O-OG 3.08Å; S299-N302 PolarHBondContact O-N 3.37Å; S299-H303 PolarHBondContact O-N 2.86Å
300	E	92.6	Very high	91.4	Very high	4 Å²	4	19.7 Å²	19.7	2%	0.019	10%	0.099	C	C	.	.	H	α-helix	trans	-65.9	-39.2	174.4	-171.6	77.3	154.8	0	0	111.8	L246 A249 Y250 A296 H303 L304 G534 Y535 F536	L246-E300 HydrophobicContact CD1-CG 4.14Å; L246-E300 HydrophobicContact CD2-CB 4.15Å; A249-E300 HydrophobicContact CB-CB 4.08Å; A249-E300 HydrophobicContact CB-CG 4.29Å; Y250-E300 HydrophobicContact CD2-CG 4.41Å; Y250-E300 HydrophobicContact CE2-CG 3.68Å; Y250-E300 WeakPolarHBondContact CE2-OE1 3.16Å; Y250-E300 PolarHBondContact OH-OE1 3.45Å; A296-E300 WeakPolarHBondContact O-CB 3.43Å; A296-E300 PolarHBondContact O-N 2.81Å; E300-H303 PolarHBondContact O-N 3.24Å; E300-L304 HydrophobicContact CG-CD1 4.33Å; E300-L304 WeakPolarHBondContact O-CB 3.31Å; E300-L304 WeakPolarHBondContact O-CG 3.5Å; E300-L304 PolarHBondContact O-N 3.44Å; E300-G534 WeakPolarHBondContact OE2-CA 3.29Å; E300-Y535 PolarHBondContact OE2-N 3.05Å; E300-F536 PolarHBondContact OE1-N 2.89Å; E300-F536 VanDerWaalsContact OE1-N 3.12Å
301	F	93.2	Very high	91	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-62.9	-42.7	174.5	173.7	-99.7	0	0	0	112.1	A249 L252 L256 F271 I274 N297 L304 V305 I319	A249-F301 HydrophobicContact CB-CB 4.1Å; L252-F301 HydrophobicContact CB-CD2 3.8Å; L252-F301 HydrophobicContact CB-CE2 3.74Å; L256-F301 HydrophobicContact CD2-CE2 4.31Å; L256-F301 HydrophobicContact CD2-CZ 4.03Å; F271-F301 HydrophobicContact CD2-CE1 4.45Å; F271-F301 HydrophobicContact CD2-CZ 4.25Å; F271-F301 AromaticContact CE2-CE1 3.91Å; F271-F301 HydrophobicContact CE2-CE1 3.91Å; F271-F301 HydrophobicContact CE2-CZ 4.11Å; I274-F301 HydrophobicContact CD1-CE2 4.32Å; I274-F301 HydrophobicContact CD1-CZ 3.96Å; I274-F301 HydrophobicContact CG2-CE1 3.92Å; I274-F301 HydrophobicContact CG2-CZ 4.12Å; N297-F301 VanDerWaalsContact O-CB 3.25Å; N297-F301 WeakPolarHBondContact O-CB 3.46Å; N297-F301 PolarHBondContact O-N 3.31Å; F301-L304 PolarHBondContact O-N 2.86Å; F301-V305 HydrophobicContact CD2-CG2 4.38Å; F301-V305 HydrophobicContact CE1-CG2 4.16Å; F301-V305 HydrophobicContact CE2-CG2 3.97Å; F301-V305 HydrophobicContact CZ-CG2 3.86Å; F301-V305 WeakPolarHBondContact O-CG2 3.25Å; F301-V305 PolarHBondContact O-N 2.96Å; F301-I319 HydrophobicContact CD1-CD1 3.92Å; F301-I319 HydrophobicContact CE1-CD1 4.02Å
302	N	92.1	Very high	90.4	Very high	12 Å²	12	24.8 Å²	24.8	6%	0.064	12%	0.12	C	C	.	.	H	α-helix	trans	-61.3	-45	174.1	-176	92.7	0	0	0	111.5	A298 S299 L304 V305 E306 I319 I323	A298-N302 PolarHBondContact O-N 3.2Å; S299-N302 PolarHBondContact O-N 3.37Å; N302-L304 PolarHBondContact O-N 3.12Å; N302-V305 PolarHBondContact O-N 3.49Å; N302-E306 PolarHBondContact ND2-OE1 3.35Å; N302-E306 WeakPolarHBondContact O-CB 3.32Å; N302-E306 WeakPolarHBondContact O-CG 3.27Å; N302-E306 PolarHBondContact O-N 2.82Å; N302-I319 HydrophobicContact CB-CG2 3.86Å; N302-I319 WeakPolarHBondContact OD1-CG2 3.21Å; N302-I323 HydrophobicContact CB-CD1 3.57Å
303	H	89.5	Confident	89.4	Confident	9 Å²	9	28.4 Å²	28.4	4%	0.042	15%	0.15	C	C	.	.	H	α-helix	trans	-59.9	-44.3	176.8	-179.5	80	0	0	0	112.6	S299 E300 E306 R307 Q532 G534	S299-H303 PolarHBondContact O-N 2.86Å; E300-H303 PolarHBondContact O-N 3.24Å; H303-E306 PolarHBondContact O-N 3.22Å; H303-R307 WeakPolarHBondContact CE1-CD 3.39Å; H303-R307 WeakPolarHBondContact NE2-CD 3.44Å; H303-R307 PolarHBondContact NE2-NH1 3.33Å; H303-R307 WeakPolarHBondContact O-CG 3.4Å; H303-R307 PolarHBondContact O-N 2.9Å; H303-R307 VanDerWaalsContact O-N 3.11Å; H303-Q532 PolarHBondContact CE1-O 3.16Å; H303-Q532 PolarHBondContact ND1-O 3.17Å; H303-G534 WeakPolarHBondContact CD2-CA 3.47Å; H303-G534 PolarHBondContact CD2-N 2.76Å; H303-G534 PolarHBondContact CE1-N 3.09Å; H303-G534 PolarHBondContact ND1-N 2.94Å; H303-G534 PolarHBondContact NE2-N 2.8Å; H303-G534 VanDerWaalsContact NE2-N 3.11Å
304	L	89.5	Confident	88.4	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-59.4	-47	175.5	-75.4	165.9	0	0	0	111.9	L210 Y250 Y253 E300 F301 N302 R307 D308 V537	L210-L304 HydrophobicContact CD2-CD2 3.99Å; Y250-L304 HydrophobicContact CD1-CD1 4.29Å; Y250-L304 HydrophobicContact CD2-CD1 4.22Å; Y250-L304 HydrophobicContact CE1-CD1 4.36Å; Y250-L304 HydrophobicContact CE1-CD2 4.29Å; Y250-L304 HydrophobicContact CE2-CD1 4.29Å; Y250-L304 HydrophobicContact CG-CD1 4.21Å; Y253-L304 HydrophobicContact CD1-CD1 4.48Å; Y253-L304 HydrophobicContact CD1-CD2 4.32Å; Y253-L304 HydrophobicContact CD2-CB 3.59Å; Y253-L304 HydrophobicContact CE1-CD2 4.41Å; Y253-L304 HydrophobicContact CE2-CB 3.99Å; Y253-L304 HydrophobicContact CG-CB 3.91Å; Y253-L304 HydrophobicContact CG-CD1 4.11Å; Y253-L304 HydrophobicContact CG-CD2 4.43Å; Y253-L304 HydrophobicContact CG-CG 4.39Å; E300-L304 HydrophobicContact CG-CD1 4.33Å; E300-L304 WeakPolarHBondContact O-CB 3.31Å; E300-L304 WeakPolarHBondContact O-CG 3.5Å; E300-L304 PolarHBondContact O-N 3.44Å; F301-L304 PolarHBondContact O-N 2.86Å; N302-L304 PolarHBondContact O-N 3.12Å; L304-R307 PolarHBondContact O-N 3.19Å; L304-D308 PolarHBondContact O-N 3.01Å; L304-D308 VanDerWaalsContact O-N 3.14Å; L304-V537 HydrophobicContact CD2-CG1 4.44Å; L304-V537 HydrophobicContact CD2-CG2 3.6Å; L304-V537 HydrophobicContact CG-CG2 4.12Å
305	V	89.5	Confident	87.2	Confident	14 Å²	14	41.3 Å²	41.3	9%	0.085	20%	0.204	C	C	.	.	H	α-helix	trans	-68.9	-34.7	178.7	173.2	0	0	0	0	112.5	Y253 L256 F271 F301 N302 R307 L311 Y316	Y253-V305 HydrophobicContact CD2-CG2 4.45Å; L256-V305 HydrophobicContact CD2-CG2 3.82Å; F271-V305 HydrophobicContact CE2-CG1 4.33Å; F301-V305 HydrophobicContact CD2-CG2 4.38Å; F301-V305 HydrophobicContact CE1-CG2 4.16Å; F301-V305 HydrophobicContact CE2-CG2 3.97Å; F301-V305 HydrophobicContact CZ-CG2 3.86Å; F301-V305 WeakPolarHBondContact O-CG2 3.25Å; F301-V305 PolarHBondContact O-N 2.96Å; N302-V305 PolarHBondContact O-N 3.49Å; V305-R307 VanDerWaalsContact C-N 3.3Å; V305-R307 PolarHBondContact O-N 3.26Å; V305-L311 HydrophobicContact CG1-CB 4.29Å; V305-L311 HydrophobicContact CG2-CD1 4.43Å; V305-Y316 HydrophobicContact CG1-CD2 4.44Å
306	E	87.2	Confident	86.2	Confident	89 Å²	89	42.9 Å²	42.9	42%	0.416	21%	0.211	S	C	.	.	H	α-helix	trans	-74.5	-15.7	176.3	-79.1	-165.4	-145.7	0	0	113.9	N302 H303 K312	N302-E306 PolarHBondContact ND2-OE1 3.35Å; N302-E306 WeakPolarHBondContact O-CB 3.32Å; N302-E306 WeakPolarHBondContact O-CG 3.27Å; N302-E306 PolarHBondContact O-N 2.82Å; H303-E306 PolarHBondContact O-N 3.22Å; E306-K312 VanDerWaalsContact O-CD 3.32Å; E306-K312 WeakPolarHBondContact O-CD 3.2Å; E306-K312 WeakPolarHBondContact O-CE 3.36Å; E306-K312 PolarHBondContact O-NZ 3.36Å
307	R	85	Confident	84.9	Confident	70 Å²	70	44.5 Å²	44.5	26%	0.264	23%	0.227	S	C	.	.	H	α-helix	trans	-98.9	-28.7	176.8	-72.7	-173.9	77.8	148.8	9.5	114.6	L210 H303 L304 V305 T309 E538	L210-R307 HydrophobicContact CD2-CB 4.06Å; H303-R307 WeakPolarHBondContact CE1-CD 3.39Å; H303-R307 WeakPolarHBondContact NE2-CD 3.44Å; H303-R307 PolarHBondContact NE2-NH1 3.33Å; H303-R307 WeakPolarHBondContact O-CG 3.4Å; H303-R307 PolarHBondContact O-N 2.9Å; H303-R307 VanDerWaalsContact O-N 3.11Å; L304-R307 PolarHBondContact O-N 3.19Å; V305-R307 VanDerWaalsContact C-N 3.3Å; V305-R307 PolarHBondContact O-N 3.26Å; R307-T309 PolarHBondContact O-N 3.19Å; R307-E538 IonicContact CZ-OE1 3.16Å; R307-E538 IonicContact NH1-OE1 3.52Å; R307-E538 PolarHBondContact NH1-OE1 2.93Å; R307-E538 IonicContact NH2-OE1 3.79Å; R307-E538 PolarHBondContact NH2-OE1 3.34Å
308	D	87.4	Confident	84	Confident	3 Å²	3	52.4 Å²	52.4	2%	0.016	26%	0.262	C	S	.	.	S	Bend	trans	-68.3	119.3	170.7	-175.2	-70.7	0	0	0	110.2	Y253 R257 L304 E310 L311 K312	Y253-D308 HydrophobicContact CE2-CB 4.02Å; Y253-D308 PolarHBondContact OH-OD2 2.78Å; R257-D308 IonicContact CZ-OD1 3.11Å; R257-D308 IonicContact CZ-OD2 2.73Å; R257-D308 VanDerWaalsContact CZ-OD2 3.23Å; R257-D308 IonicContact NE-OD1 3.84Å; R257-D308 IonicContact NE-OD2 2.7Å; R257-D308 PolarHBondContact NE-OD2 2.85Å; R257-D308 IonicContact NH2-OD1 3.11Å; R257-D308 PolarHBondContact NH2-OD1 3.42Å; R257-D308 IonicContact NH2-OD2 2.99Å; R257-D308 PolarHBondContact NH2-OD2 3.19Å; L304-D308 PolarHBondContact O-N 3.01Å; L304-D308 VanDerWaalsContact O-N 3.14Å; D308-E310 VanDerWaalsContact C-N 3.31Å; D308-E310 PolarHBondContact O-N 2.77Å; D308-E310 WeakPolarHBondContact OD1-CA 3.21Å; D308-E310 WeakPolarHBondContact OD1-CB 3.4Å; D308-E310 PolarHBondContact OD1-N 3.23Å; D308-L311 HydrophobicContact CB-CB 4.06Å; D308-L311 HydrophobicContact CB-CD1 4Å; D308-L311 HydrophobicContact CB-CG 4.04Å; D308-L311 PolarHBondContact OD1-N 2.89Å; D308-K312 WeakPolarHBondContact O-CB 3.47Å; D308-K312 PolarHBondContact O-N 3.48Å
309	T	83.4	Confident	83.7	Confident	89 Å²	89	52.6 Å²	52.6	55%	0.546	26%	0.263	S	S	.	.	H	α-helix	trans	-68.1	-27.5	-173.4	46.4	0	0	0	0	113.6	R307 A313	R307-T309 PolarHBondContact O-N 3.19Å; T309-A313 WeakPolarHBondContact O-CB 3.05Å; T309-A313 PolarHBondContact O-N 3.02Å
310	E	83.9	Confident	83.4	Confident	85 Å²	85	53.4 Å²	53.4	40%	0.397	27%	0.268	S	S	.	.	H	α-helix	trans	-82.8	-42.7	178.2	-69.3	172	-121.2	0	0	111.2	R257 D308 A313 S314	R257-E310 IonicContact CZ-OE1 3.69Å; R257-E310 IonicContact CZ-OE2 2.94Å; R257-E310 IonicContact NH1-OE1 3.51Å; R257-E310 PolarHBondContact NH1-OE1 3.2Å; R257-E310 IonicContact NH1-OE2 2.71Å; R257-E310 PolarHBondContact NH1-OE2 2.91Å; R257-E310 IonicContact NH2-OE1 3.86Å; R257-E310 PolarHBondContact NH2-OE1 3.19Å; R257-E310 IonicContact NH2-OE2 3.5Å; D308-E310 VanDerWaalsContact C-N 3.31Å; D308-E310 PolarHBondContact O-N 2.77Å; D308-E310 WeakPolarHBondContact OD1-CA 3.21Å; D308-E310 WeakPolarHBondContact OD1-CB 3.4Å; D308-E310 PolarHBondContact OD1-N 3.23Å; E310-A313 PolarHBondContact O-N 2.95Å; E310-S314 PolarHBondContact O-N 3.21Å; E310-S314 PolarHBondContact O-OG 3.04Å
311	L	85.3	Confident	83.4	Confident	1 Å²	1	56.2 Å²	56.2	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-64.7	-42.7	175.3	-61.2	-178.4	0	0	0	110.9	Y253 L256 H260 V305 D308 A313 S314 Y316	Y253-L311 HydrophobicContact CD2-CD1 4Å; Y253-L311 HydrophobicContact CE2-CD1 3.72Å; L256-L311 HydrophobicContact CD2-CD1 4.11Å; L256-L311 HydrophobicContact CD2-CD2 4.41Å; L256-L311 HydrophobicContact CG-CD1 4.38Å; L256-L311 HydrophobicContact CG-CD2 4.14Å; H260-L311 HydrophobicContact CB-CD2 3.55Å; V305-L311 HydrophobicContact CG1-CB 4.29Å; V305-L311 HydrophobicContact CG2-CD1 4.43Å; D308-L311 HydrophobicContact CB-CB 4.06Å; D308-L311 HydrophobicContact CB-CD1 4Å; D308-L311 HydrophobicContact CB-CG 4.04Å; D308-L311 PolarHBondContact OD1-N 2.89Å; L311-A313 VanDerWaalsContact C-N 3.33Å; L311-A313 PolarHBondContact O-N 2.82Å; L311-S314 VanDerWaalsContact O-CB 3.3Å; L311-S314 WeakPolarHBondContact O-CB 3.46Å; L311-S314 PolarHBondContact O-N 2.86Å; L311-S314 VanDerWaalsContact O-N 3.09Å; L311-Y316 HydrophobicContact CB-CE2 3.97Å; L311-Y316 HydrophobicContact CD2-CE2 3.82Å; L311-Y316 HydrophobicContact CG-CE2 4.49Å; L311-Y316 WeakPolarHBondContact O-CD2 3.45Å; L311-Y316 WeakPolarHBondContact O-CE2 3.45Å
312	K	81.6	Confident	83.4	Confident	128 Å²	128	56.7 Å²	56.7	56%	0.557	29%	0.288	S	S	*	.	H	α-helix	trans	-59.9	-40.5	174.4	-168.5	176.6	-150.4	145.6	0	112.8	E306 D308 S314	E306-K312 VanDerWaalsContact O-CD 3.32Å; E306-K312 WeakPolarHBondContact O-CD 3.2Å; E306-K312 WeakPolarHBondContact O-CE 3.36Å; E306-K312 PolarHBondContact O-NZ 3.36Å; D308-K312 WeakPolarHBondContact O-CB 3.47Å; D308-K312 PolarHBondContact O-N 3.48Å; K312-S314 PolarHBondContact O-N 2.59Å
313	A	74.2	Confident	83.6	Confident	76 Å²	76	56.1 Å²	56.1	63%	0.628	29%	0.285	S	S	*	.	H	α-helix	trans	-66.7	-18.7	177	0	0	0	0	0	113.7	T309 E310 L311 R315	T309-A313 WeakPolarHBondContact O-CB 3.05Å; T309-A313 PolarHBondContact O-N 3.02Å; E310-A313 PolarHBondContact O-N 2.95Å; L311-A313 VanDerWaalsContact C-N 3.33Å; L311-A313 PolarHBondContact O-N 2.82Å; A313-R315 VanDerWaalsContact C-N 3.3Å; A313-R315 PolarHBondContact O-N 3.48Å
314	S	73.4	Confident	83.8	Confident	39 Å²	39	58.2 Å²	58.2	27%	0.273	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-4.7	-172.6	-59.7	0	0	0	0	115.1	H260 E310 L311 K312 Y316	H260-S314 PolarHBondContact CE1-OG 3.14Å; H260-S314 PolarHBondContact ND1-OG 3.19Å; E310-S314 PolarHBondContact O-N 3.21Å; E310-S314 PolarHBondContact O-OG 3.04Å; L311-S314 VanDerWaalsContact O-CB 3.3Å; L311-S314 WeakPolarHBondContact O-CB 3.46Å; L311-S314 PolarHBondContact O-N 2.86Å; L311-S314 VanDerWaalsContact O-N 3.09Å; K312-S314 PolarHBondContact O-N 2.59Å; S314-Y316 VanDerWaalsContact C-N 3.35Å; S314-Y316 PolarHBondContact O-N 2.85Å
315	R	69.1	Low	84.1	Confident	234 Å²	234	62.9 Å²	62.9	88%	0.883	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	45.4	-179.9	-53.2	-158.6	-61.6	-156.9	2.7	114.2	A313	A313-R315 VanDerWaalsContact C-N 3.3Å; A313-R315 PolarHBondContact O-N 3.48Å
316	Y	75.8	Confident	84.4	Confident	33 Å²	33	62.2 Å²	62.2	13%	0.129	31%	0.308	C	S	.	.			trans	-60.3	164.2	166.5	-58.9	-65.9	0	0	0	112	L256 H260 S267 V268 F271 V305 L311 S314	L256-Y316 HydrophobicContact CD1-CE1 4.3Å; L256-Y316 HydrophobicContact CD2-CE2 4.46Å; H260-Y316 PolarHBondContact ND1-OH 2.89Å; S267-Y316 PolarHBondContact OG-OH 3.49Å; S267-Y316 VanDerWaalsContact OG-OH 3.06Å; V268-Y316 HydrophobicContact CG2-CD1 4.45Å; V268-Y316 HydrophobicContact CG2-CE1 4.04Å; F271-Y316 HydrophobicContact CB-CD1 3.82Å; F271-Y316 HydrophobicContact CB-CE1 4.25Å; F271-Y316 HydrophobicContact CB-CG 4.41Å; F271-Y316 HydrophobicContact CD1-CD1 4.45Å; F271-Y316 HydrophobicContact CD1-CG 4.44Å; F271-Y316 HydrophobicContact CD2-CD1 4.1Å; F271-Y316 HydrophobicContact CD2-CD2 4.28Å; F271-Y316 AromaticContact CD2-CG 3.84Å; F271-Y316 HydrophobicContact CD2-CG 3.84Å; F271-Y316 HydrophobicContact CE2-CG 4.23Å; F271-Y316 AromaticContact CG-CD1 3.86Å; F271-Y316 HydrophobicContact CG-CD1 3.86Å; F271-Y316 AromaticContact CG-CG 3.96Å; F271-Y316 HydrophobicContact CG-CG 3.96Å; V305-Y316 HydrophobicContact CG1-CD2 4.44Å; L311-Y316 HydrophobicContact CB-CE2 3.97Å; L311-Y316 HydrophobicContact CD2-CE2 3.82Å; L311-Y316 HydrophobicContact CG-CE2 4.49Å; L311-Y316 WeakPolarHBondContact O-CD2 3.45Å; L311-Y316 WeakPolarHBondContact O-CE2 3.45Å; S314-Y316 VanDerWaalsContact C-N 3.35Å; S314-Y316 PolarHBondContact O-N 2.85Å
317	G	67	Low	84.9	Confident	35 Å²	35	58.1 Å²	58.1	36%	0.361	29%	0.289	S	S	.	.			trans	-60.9	150.9	177.5	0	0	0	0	0	113.3	F271 I319	F271-G317 VanDerWaalsContact CE1-O 3.23Å; F271-G317 WeakPolarHBondContact CE1-O 3.43Å; F271-G317 WeakPolarHBondContact CZ-O 3.23Å; G317-I319 PolarHBondContact O-N 3.01Å; G317-I319 VanDerWaalsContact O-N 3.11Å
318	K	75.1	Confident	85.3	Confident	168 Å²	168	62.6 Å²	62.6	73%	0.73	31%	0.306	S	S	*	.			trans	-82.9	86.8	178.5	-76.2	-168.1	178.1	-177.3	0	111.1	S320 V321	K318-S320 PolarHBondContact O-N 3.04Å; K318-S320 PolarHBondContact O-OG 3.49Å; K318-V321 PolarHBondContact O-N 3.4Å
319	I	88.5	Confident	85.7	Confident	3 Å²	3	66.3 Å²	66.3	2%	0.015	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-13.5	174.6	-167.7	169.4	0	0	0	113.8	F271 I274 F278 F301 N302 G317 V321 E322 I323	F271-I319 HydrophobicContact CZ-CB 4.31Å; F271-I319 HydrophobicContact CZ-CG2 4.42Å; I274-I319 HydrophobicContact CG2-CD1 4.39Å; F278-I319 HydrophobicContact CD2-CD1 3.48Å; F278-I319 VanDerWaalsContact CD2-CD1 3.48Å; F278-I319 HydrophobicContact CE2-CD1 3.82Å; F278-I319 HydrophobicContact CG-CD1 4.26Å; F301-I319 HydrophobicContact CD1-CD1 3.92Å; F301-I319 HydrophobicContact CE1-CD1 4.02Å; N302-I319 HydrophobicContact CB-CG2 3.86Å; N302-I319 WeakPolarHBondContact OD1-CG2 3.21Å; G317-I319 PolarHBondContact O-N 3.01Å; G317-I319 VanDerWaalsContact O-N 3.11Å; I319-V321 PolarHBondContact O-N 2.61Å; I319-V321 VanDerWaalsContact O-N 3.07Å; I319-E322 HydrophobicContact CG1-CB 4.41Å; I319-E322 PolarHBondContact O-N 2.81Å; I319-I323 HydrophobicContact CG2-CD1 4.45Å; I319-I323 PolarHBondContact O-N 3.47Å
320	S	89	Confident	86.3	Confident	29 Å²	29	62.1 Å²	62.1	20%	0.203	29%	0.294	C	S	.	.	H	α-helix	trans	-42.8	-39.1	167.6	62.1	0	0	0	0	114.2	K318 E324 I530	K318-S320 PolarHBondContact O-N 3.04Å; K318-S320 PolarHBondContact O-OG 3.49Å; S320-E324 PolarHBondContact O-N 2.85Å; S320-E324 VanDerWaalsContact O-N 3.09Å; S320-I530 VanDerWaalsContact CA-CD1 3.47Å
321	V	91.2	Very high	86.8	Confident	63 Å²	63	59 Å²	59	38%	0.382	28%	0.281	S	S	.	.	H	α-helix	trans	-69.2	-36.6	-179.5	-176.7	0	0	0	0	111.6	K318 I319 R325	K318-V321 PolarHBondContact O-N 3.4Å; I319-V321 PolarHBondContact O-N 2.61Å; I319-V321 VanDerWaalsContact O-N 3.07Å; V321-R325 WeakPolarHBondContact O-CG 3.45Å; V321-R325 PolarHBondContact O-N 3.28Å; V321-R325 VanDerWaalsContact O-N 3.11Å
322	E	93.8	Very high	87.2	Confident	11 Å²	11	61.4 Å²	61.4	5%	0.051	30%	0.301	C	S	.	.	H	α-helix	trans	-77.2	-34.8	178.1	-51.9	-55.1	159.3	0	0	111.2	E275 F278 K279 I319 E324 R325 I326	E275-E322 HydrophobicContact CG-CG 4.22Å; F278-E322 HydrophobicContact CB-CB 4.17Å; K279-E322 WeakPolarHBondContact CA-OE2 3.41Å; K279-E322 HydrophobicContact CB-CG 4.25Å; K279-E322 WeakPolarHBondContact CB-OE2 3.25Å; I319-E322 HydrophobicContact CG1-CB 4.41Å; I319-E322 PolarHBondContact O-N 2.81Å; E322-E324 VanDerWaalsContact C-N 3.31Å; E322-E324 PolarHBondContact O-N 3.18Å; E322-R325 PolarHBondContact O-N 3.25Å; E322-R325 IonicContact OE1-CZ 3.52Å; E322-R325 IonicContact OE1-NH1 2.7Å; E322-R325 PolarHBondContact OE1-NH1 3.04Å; E322-R325 IonicContact OE1-NH2 2.7Å; E322-R325 WeakPolarHBondContact OE2-CD 3.13Å; E322-R325 IonicContact OE2-CZ 3.47Å; E322-R325 IonicContact OE2-NE 3.51Å; E322-R325 IonicContact OE2-NH1 2.63Å; E322-R325 PolarHBondContact OE2-NH1 2.97Å; E322-I326 VanDerWaalsContact O-CG1 3.32Å; E322-I326 WeakPolarHBondContact O-CG1 3.36Å; E322-I326 PolarHBondContact O-N 3.23Å
323	I	95.3	Very high	87.8	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-56.3	-47.1	170.1	-65.2	166.5	0	0	0	110.4	L295 A298 N302 I319 R325 I326 F327 F528 I530	L295-I323 HydrophobicContact CD1-CG2 3.93Å; A298-I323 HydrophobicContact CB-CG1 3.76Å; N302-I323 HydrophobicContact CB-CD1 3.57Å; I319-I323 HydrophobicContact CG2-CD1 4.45Å; I319-I323 PolarHBondContact O-N 3.47Å; I323-R325 PolarHBondContact O-N 3.08Å; I323-I326 PolarHBondContact O-N 3.28Å; I323-F327 PolarHBondContact O-N 3.27Å; I323-F528 HydrophobicContact CG2-CE1 3.96Å; I323-F528 HydrophobicContact CG2-CZ 3.93Å; I323-I530 HydrophobicContact CD1-CD1 4.5Å; I323-I530 HydrophobicContact CG2-CG1 4.49Å
324	E	94.9	Very high	88.8	Confident	52 Å²	52	53.1 Å²	53.1	24%	0.243	25%	0.253	C	S	.	.	H	α-helix	trans	-62.2	-41.5	176.4	-173.9	179.4	-177.2	0	0	112.1	S320 E322 F327 R328 F528	S320-E324 PolarHBondContact O-N 2.85Å; S320-E324 VanDerWaalsContact O-N 3.09Å; E322-E324 VanDerWaalsContact C-N 3.31Å; E322-E324 PolarHBondContact O-N 3.18Å; E324-F327 PolarHBondContact O-N 3.25Å; E324-R328 HydrophobicContact CG-CG 4.35Å; E324-R328 WeakPolarHBondContact O-CB 3.42Å; E324-R328 WeakPolarHBondContact O-CG 3.08Å; E324-R328 PolarHBondContact O-N 3.38Å; E324-R328 IonicContact OE1-CZ 2.73Å; E324-R328 IonicContact OE1-NE 3.23Å; E324-R328 PolarHBondContact OE1-NE 3.07Å; E324-R328 IonicContact OE1-NH2 3.21Å; E324-R328 PolarHBondContact OE1-NH2 2.83Å; E324-F528 HydrophobicContact CB-CD1 3.53Å; E324-F528 HydrophobicContact CB-CE1 3.76Å; E324-F528 HydrophobicContact CB-CG 4.26Å; E324-F528 HydrophobicContact CG-CB 3.95Å; E324-F528 HydrophobicContact CG-CD1 3.58Å; E324-F528 HydrophobicContact CG-CE1 4.24Å; E324-F528 HydrophobicContact CG-CG 3.82Å
325	R	95.3	Very high	89.7	Confident	98 Å²	98	53.8 Å²	53.8	37%	0.37	25%	0.252	S	S	.	.	H	α-helix	trans	-65.1	-38.9	176.4	-70.1	-179.8	-162.2	147.2	8.9	112.5	A282 V321 E322 I323 F327 R328 R329	A282-R325 HydrophobicContact CB-CB 3.73Å; V321-R325 WeakPolarHBondContact O-CG 3.45Å; V321-R325 PolarHBondContact O-N 3.28Å; V321-R325 VanDerWaalsContact O-N 3.11Å; E322-R325 PolarHBondContact O-N 3.25Å; E322-R325 IonicContact OE1-CZ 3.52Å; E322-R325 IonicContact OE1-NH1 2.7Å; E322-R325 PolarHBondContact OE1-NH1 3.04Å; E322-R325 IonicContact OE1-NH2 2.7Å; E322-R325 WeakPolarHBondContact OE2-CD 3.13Å; E322-R325 IonicContact OE2-CZ 3.47Å; E322-R325 IonicContact OE2-NE 3.51Å; E322-R325 IonicContact OE2-NH1 2.63Å; E322-R325 PolarHBondContact OE2-NH1 2.97Å; I323-R325 PolarHBondContact O-N 3.08Å; R325-F327 VanDerWaalsContact C-N 3.34Å; R325-R328 PolarHBondContact O-N 2.64Å; R325-R329 VanDerWaalsContact O-CB 3.23Å; R325-R329 WeakPolarHBondContact O-CB 3.23Å; R325-R329 PolarHBondContact O-N 2.96Å
326	I	96.6	Very high	90.7	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-61.6	-44	173.4	-64.2	167.6	0	0	0	110	F278 I281 A282 L291 L295 A298 E322 I323 R329 L330	F278-I326 HydrophobicContact CB-CD1 4.3Å; F278-I326 HydrophobicContact CD1-CD1 3.82Å; F278-I326 HydrophobicContact CG-CD1 4.5Å; I281-I326 HydrophobicContact CG2-CD1 4.46Å; I281-I326 HydrophobicContact CG2-CG1 4.47Å; A282-I326 HydrophobicContact CB-CG1 3.78Å; L291-I326 HydrophobicContact CD2-CG2 4.07Å; L295-I326 HydrophobicContact CB-CG2 3.87Å; L295-I326 HydrophobicContact CD1-CB 4.39Å; L295-I326 HydrophobicContact CD1-CG2 4.22Å; A298-I326 HydrophobicContact CB-CD1 4.15Å; E322-I326 VanDerWaalsContact O-CG1 3.32Å; E322-I326 WeakPolarHBondContact O-CG1 3.36Å; E322-I326 PolarHBondContact O-N 3.23Å; I323-I326 PolarHBondContact O-N 3.28Å; I326-R329 PolarHBondContact O-N 2.84Å; I326-L330 WeakPolarHBondContact O-CB 3.41Å; I326-L330 PolarHBondContact O-N 3.18Å
327	F	96.6	Very high	91.6	Very high	4 Å²	4	48.4 Å²	48.4	2%	0.018	25%	0.251	C	S	.	.	H	α-helix	trans	-62.1	-50.2	176.3	-178.4	-91.1	0	0	0	112.3	L295 I323 E324 R325 R329 L330 V331 Q382 L383 H386 F528	L295-F327 HydrophobicContact CD1-CB 4.04Å; L295-F327 HydrophobicContact CD2-CD2 3.92Å; I323-F327 PolarHBondContact O-N 3.27Å; E324-F327 PolarHBondContact O-N 3.25Å; R325-F327 VanDerWaalsContact C-N 3.34Å; F327-R329 VanDerWaalsContact C-N 3.29Å; F327-R329 PolarHBondContact O-N 2.69Å; F327-L330 WeakPolarHBondContact O-CB 3.32Å; F327-L330 PolarHBondContact O-N 3.23Å; F327-L330 VanDerWaalsContact O-N 3.17Å; F327-V331 HydrophobicContact CD1-CG2 4.18Å; F327-V331 HydrophobicContact CE1-CG2 3.74Å; F327-V331 HydrophobicContact CZ-CG2 4Å; F327-V331 WeakPolarHBondContact O-CG2 3.41Å; F327-V331 PolarHBondContact O-N 2.99Å; F327-Q382 HydrophobicContact CE2-CB 4.18Å; F327-Q382 HydrophobicContact CZ-CB 4.01Å; F327-L383 HydrophobicContact CE2-CB 4.03Å; F327-L383 HydrophobicContact CE2-CD1 4.36Å; F327-H386 AromaticContact CE1-CE1 3.62Å; F327-H386 AromaticContact CE1-ND1 3.88Å; F327-H386 AromaticContact CE1-NE2 3.85Å; F327-H386 AromaticContact CZ-CE1 3.8Å; F327-H386 AromaticContact CZ-ND1 3.65Å; F327-F528 HydrophobicContact CB-CD2 4.38Å; F327-F528 HydrophobicContact CB-CE2 3.67Å; F327-F528 HydrophobicContact CB-CZ 3.96Å; F327-F528 AromaticContact CD1-CD2 3.78Å; F327-F528 HydrophobicContact CD1-CD2 3.78Å; F327-F528 AromaticContact CD1-CE2 3.75Å; F327-F528 HydrophobicContact CD1-CE2 3.75Å; F327-F528 AromaticContact CD2-CE2 3.77Å; F327-F528 HydrophobicContact CD2-CE2 3.77Å; F327-F528 HydrophobicContact CE1-CD2 4.21Å; F327-F528 HydrophobicContact CE1-CE2 4.35Å; F327-F528 HydrophobicContact CE2-CE2 4.35Å; F327-F528 AromaticContact CG-CD2 3.98Å; F327-F528 HydrophobicContact CG-CD2 3.98Å; F327-F528 AromaticContact CG-CE2 3.43Å; F327-F528 HydrophobicContact CG-CE2 3.43Å; F327-F528 VanDerWaalsContact CG-CE2 3.43Å; F327-F528 HydrophobicContact CG-CZ 4.21Å
328	R	94.2	Very high	92.9	Very high	163 Å²	163	46.8 Å²	46.8	62%	0.615	23%	0.234	S	C	*	.	H	α-helix	trans	-58.8	-39.7	176.5	-70.6	174.1	-180	-132.3	10.9	111.7	E324 R325 V331 A332	E324-R328 HydrophobicContact CG-CG 4.35Å; E324-R328 WeakPolarHBondContact O-CB 3.42Å; E324-R328 WeakPolarHBondContact O-CG 3.08Å; E324-R328 PolarHBondContact O-N 3.38Å; E324-R328 IonicContact OE1-CZ 2.73Å; E324-R328 IonicContact OE1-NE 3.23Å; E324-R328 PolarHBondContact OE1-NE 3.07Å; E324-R328 IonicContact OE1-NH2 3.21Å; E324-R328 PolarHBondContact OE1-NH2 2.83Å; R325-R328 PolarHBondContact O-N 2.64Å; R328-V331 PolarHBondContact O-N 2.82Å; R328-A332 PolarHBondContact O-N 3.42Å
329	R	95.5	Very high	93.6	Very high	82 Å²	82	42.7 Å²	42.7	31%	0.309	22%	0.215	S	C	.	.	H	α-helix	trans	-64.7	-42.5	175.5	-179.6	60.8	171.5	-143.1	-15.7	112.1	A282 Q283 C285 L291 R325 I326 F327 A332 V333	A282-R329 WeakPolarHBondContact O-CG 3.45Å; Q283-R329 VanDerWaalsContact O-CZ 3.3Å; Q283-R329 PolarHBondContact O-NH1 2.59Å; Q283-R329 PolarHBondContact O-NH2 3.07Å; C285-R329 VanDerWaalsContact O-CZ 3.26Å; C285-R329 PolarHBondContact O-NE 3.48Å; C285-R329 PolarHBondContact O-NH2 3.05Å; L291-R329 HydrophobicContact CD1-CG 3.89Å; L291-R329 HydrophobicContact CD2-CB 4.31Å; L291-R329 HydrophobicContact CD2-CG 3.86Å; R325-R329 VanDerWaalsContact O-CB 3.23Å; R325-R329 WeakPolarHBondContact O-CB 3.23Å; R325-R329 PolarHBondContact O-N 2.96Å; I326-R329 PolarHBondContact O-N 2.84Å; F327-R329 VanDerWaalsContact C-N 3.29Å; F327-R329 PolarHBondContact O-N 2.69Å; R329-A332 PolarHBondContact O-N 3.25Å; R329-V333 WeakPolarHBondContact O-CG2 3.38Å; R329-V333 PolarHBondContact O-N 2.87Å
330	L	96.4	Very high	93.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-61.1	-45.2	174.6	176.4	60.1	0	0	0	111.7	K288 L291 I292 L295 I326 F327 V333 L334 L383	K288-L330 HydrophobicContact CB-CD1 4.03Å; K288-L330 WeakPolarHBondContact O-CD1 3.01Å; L291-L330 HydrophobicContact CB-CB 4.16Å; L291-L330 HydrophobicContact CB-CD1 3.95Å; I292-L330 HydrophobicContact CD1-CD1 4.33Å; I292-L330 HydrophobicContact CG1-CD1 3.87Å; I292-L330 HydrophobicContact CG1-CD2 3.58Å; I292-L330 HydrophobicContact CG1-CG 4.39Å; L295-L330 HydrophobicContact CD2-CD2 4.23Å; I326-L330 WeakPolarHBondContact O-CB 3.41Å; I326-L330 PolarHBondContact O-N 3.18Å; F327-L330 WeakPolarHBondContact O-CB 3.32Å; F327-L330 PolarHBondContact O-N 3.23Å; F327-L330 VanDerWaalsContact O-N 3.17Å; L330-V333 PolarHBondContact O-N 2.89Å; L330-L334 HydrophobicContact CD1-CD1 3.73Å; L330-L334 HydrophobicContact CD1-CG 4.16Å; L330-L334 HydrophobicContact CG-CD1 3.88Å; L330-L334 WeakPolarHBondContact O-CG 3.35Å; L330-L334 PolarHBondContact O-N 3.07Å; L330-L383 HydrophobicContact CD2-CD1 3.84Å; L330-L383 HydrophobicContact CD2-CD2 3.87Å; L330-L383 HydrophobicContact CG-CD1 4.07Å
331	V	94.8	Very high	94	Very high	20 Å²	20	44.4 Å²	44.4	12%	0.121	23%	0.226	C	C	.	.	H	α-helix	trans	-60	-46.9	175.4	172.8	0	0	0	0	110.9	F327 R328 V333 L334 Q335 L383 H386 M390	F327-V331 HydrophobicContact CD1-CG2 4.18Å; F327-V331 HydrophobicContact CE1-CG2 3.74Å; F327-V331 HydrophobicContact CZ-CG2 4Å; F327-V331 WeakPolarHBondContact O-CG2 3.41Å; F327-V331 PolarHBondContact O-N 2.99Å; R328-V331 PolarHBondContact O-N 2.82Å; V331-V333 PolarHBondContact O-N 3.12Å; V331-L334 PolarHBondContact O-N 2.8Å; V331-Q335 WeakPolarHBondContact O-CB 3.48Å; V331-Q335 PolarHBondContact O-N 3.46Å; V331-L383 HydrophobicContact CG2-CD1 4.33Å; V331-H386 HydrophobicContact CG1-CB 4.28Å; V331-H386 HydrophobicContact CG2-CB 4.03Å; V331-M390 HydrophobicContact CG1-CE 4.02Å; V331-M390 HydrophobicContact CG1-SD 4.17Å
332	A	93.3	Very high	94.1	Very high	52 Å²	52	41.4 Å²	41.4	43%	0.43	21%	0.208	S	C	.	.	H	α-helix	trans	-63.2	-38.2	178.3	0	0	0	0	0	113.5	R328 R329	R328-A332 PolarHBondContact O-N 3.42Å; R329-A332 PolarHBondContact O-N 3.25Å
333	V	94.8	Very high	94.1	Very high	28 Å²	28	47.8 Å²	47.8	17%	0.17	23%	0.231	C	C	.	.	H	α-helix	trans	-62.3	-48.5	172.6	166.4	0	0	0	0	110.4	S286 K288 L291 R329 L330 V331 Q335 S336	S286-V333 WeakPolarHBondContact O-CG1 3.24Å; K288-V333 HydrophobicContact CB-CG1 4.17Å; L291-V333 HydrophobicContact CD1-CB 4.42Å; L291-V333 HydrophobicContact CD1-CG2 3.87Å; R329-V333 WeakPolarHBondContact O-CG2 3.38Å; R329-V333 PolarHBondContact O-N 2.87Å; L330-V333 PolarHBondContact O-N 2.89Å; V331-V333 PolarHBondContact O-N 3.12Å; V333-Q335 PolarHBondContact O-N 3.03Å; V333-S336 PolarHBondContact O-N 2.94Å; V333-S336 PolarHBondContact O-OG 3.47Å
334	L	94.8	Very high	94	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-68.3	-32	-179	-67.7	165.9	0	0	0	112.9	K288 L330 V331 S336 V337 I338 L362 T366 L383 L387	K288-L334 HydrophobicContact CB-CD2 3.99Å; K288-L334 HydrophobicContact CB-CG 4.48Å; K288-L334 HydrophobicContact CD-CD2 3.94Å; K288-L334 HydrophobicContact CG-CD2 4.44Å; L330-L334 HydrophobicContact CD1-CD1 3.73Å; L330-L334 HydrophobicContact CD1-CG 4.16Å; L330-L334 HydrophobicContact CG-CD1 3.88Å; L330-L334 WeakPolarHBondContact O-CG 3.35Å; L330-L334 PolarHBondContact O-N 3.07Å; V331-L334 PolarHBondContact O-N 2.8Å; L334-S336 PolarHBondContact O-N 3.35Å; L334-V337 PolarHBondContact O-N 3.08Å; L334-I338 WeakPolarHBondContact O-CG2 3.41Å; L334-I338 PolarHBondContact O-N 3.11Å; L334-L362 HydrophobicContact CD2-CD1 4.27Å; L334-T366 HydrophobicContact CD1-CG2 3.88Å; L334-T366 HydrophobicContact CD2-CG2 4.2Å; L334-L383 HydrophobicContact CD1-CD1 3.9Å; L334-L387 HydrophobicContact CB-CD2 3.74Å; L334-L387 HydrophobicContact CD1-CD1 4.41Å; L334-L387 HydrophobicContact CD1-CD2 3.94Å; L334-L387 HydrophobicContact CG-CD2 4.33Å
335	Q	91.8	Very high	94	Very high	54 Å²	54	46.3 Å²	46.3	25%	0.252	23%	0.228	S	C	.	.	H	α-helix	trans	-54.2	-39.6	174.5	-169.2	176.1	25.2	0	0	111.9	V331 V333 V337 R339 M390	V331-Q335 WeakPolarHBondContact O-CB 3.48Å; V331-Q335 PolarHBondContact O-N 3.46Å; V333-Q335 PolarHBondContact O-N 3.03Å; Q335-V337 PolarHBondContact O-N 2.68Å; Q335-R339 WeakPolarHBondContact O-CB 3.15Å; Q335-R339 PolarHBondContact O-N 3.09Å; Q335-M390 HydrophobicContact CB-SD 3.48Å; Q335-M390 WeakPolarHBondContact CB-SD 3.43Å; Q335-M390 HydrophobicContact CG-SD 3.55Å; Q335-M390 VanDerWaalsContact CG-SD 3.55Å
336	S	90.3	Very high	93.9	Very high	81 Å²	81	42.2 Å²	42.2	57%	0.566	21%	0.213	S	C	*	.	H	α-helix	trans	-66.2	-22.9	179.2	76.4	0	0	0	0	114.1	V333 L334 P340	V333-S336 PolarHBondContact O-N 2.94Å; V333-S336 PolarHBondContact O-OG 3.47Å; L334-S336 PolarHBondContact O-N 3.35Å; S336-P340 WeakPolarHBondContact O-CD 3.17Å; S336-P340 VanDerWaalsContact O-CG 3.3Å; S336-P340 WeakPolarHBondContact O-CG 3.43Å
337	V	93.9	Very high	93.6	Very high	72 Å²	72	45.2 Å²	45.2	44%	0.436	23%	0.229	S	C	.	.	H	α-helix	trans	-101.6	-39.7	-177.5	-170.8	0	0	0	0	111.8	L334 Q335 P340 A341 L362	L334-V337 PolarHBondContact O-N 3.08Å; Q335-V337 PolarHBondContact O-N 2.68Å; V337-P340 WeakPolarHBondContact O-CD 3.35Å; V337-A341 PolarHBondContact O-N 2.62Å; V337-L362 HydrophobicContact CB-CD2 4.2Å; V337-L362 HydrophobicContact CG1-CD1 4.1Å; V337-L362 HydrophobicContact CG1-CD2 4.02Å
338	I	94.2	Very high	93.3	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-71	-33.5	-177.2	-159.5	159.6	0	0	0	112.7	L334 A341 A342 L362 L387 M390 V391	L334-I338 WeakPolarHBondContact O-CG2 3.41Å; L334-I338 PolarHBondContact O-N 3.11Å; I338-A341 PolarHBondContact O-N 3.44Å; I338-A342 VanDerWaalsContact O-CB 3.3Å; I338-A342 WeakPolarHBondContact O-CB 3.3Å; I338-A342 PolarHBondContact O-N 2.79Å; I338-L362 HydrophobicContact CB-CD2 3.61Å; I338-L362 HydrophobicContact CD1-CD2 4.28Å; I338-L362 HydrophobicContact CG1-CD2 3.9Å; I338-L387 HydrophobicContact CD1-CB 3.85Å; I338-L387 HydrophobicContact CD1-CD2 3.7Å; I338-L387 HydrophobicContact CD1-CG 4.4Å; I338-L387 WeakPolarHBondContact CD1-O 3.16Å; I338-M390 HydrophobicContact CG2-CB 3.95Å; I338-M390 HydrophobicContact CG2-CE 4.18Å; I338-M390 HydrophobicContact CG2-SD 4.3Å; I338-V391 HydrophobicContact CD1-CG2 3.69Å; I338-V391 HydrophobicContact CG1-CG2 3.77Å
339	R	90.8	Very high	93.1	Very high	83 Å²	83	46.1 Å²	46.1	31%	0.313	24%	0.241	S	C	.	.	H	α-helix	trans	-65.3	-44.4	177.6	176	176	-67.1	171.5	2	112.5	Q335 F394 D522	Q335-R339 WeakPolarHBondContact O-CB 3.15Å; Q335-R339 PolarHBondContact O-N 3.09Å; R339-F394 HydrophobicContact CG-CD2 3.75Å; R339-F394 HydrophobicContact CG-CE2 4.18Å; R339-F394 HydrophobicContact CG-CG 4.36Å; R339-D522 IonicContact CZ-OD1 2.68Å; R339-D522 IonicContact CZ-OD2 3.22Å; R339-D522 IonicContact NH1-OD2 2.94Å; R339-D522 IonicContact NH2-OD1 3.73Å; R339-D522 PolarHBondContact NH2-OD1 3.22Å; R339-D522 IonicContact NH2-OD2 2.66Å; R339-D522 PolarHBondContact NH2-OD2 3.41Å
340	P	91.8	Very high	93	Very high	59 Å²	59	45.4 Å²	45.4	38%	0.383	24%	0.243	S	C	.	.	H	α-helix	trans	-56.4	-50.6	166.1	-29.3	35	0	0	0	114	S336 V337 A342 R343	S336-P340 WeakPolarHBondContact O-CD 3.17Å; S336-P340 VanDerWaalsContact O-CG 3.3Å; S336-P340 WeakPolarHBondContact O-CG 3.43Å; V337-P340 WeakPolarHBondContact O-CD 3.35Å; P340-A342 VanDerWaalsContact C-N 3.32Å; P340-A342 PolarHBondContact O-N 2.73Å; P340-R343 WeakPolarHBondContact O-CB 3.31Å; P340-R343 PolarHBondContact O-N 2.99Å; P340-R343 VanDerWaalsContact O-N 3.15Å
341	A	93.8	Very high	92.8	Very high	9 Å²	9	49.3 Å²	49.3	7%	0.074	26%	0.264	C	S	.	.	H	α-helix	trans	-58.8	-41.1	-178.3	0	0	0	0	0	112.7	V337 I338 R343 A344 D358 V359	V337-A341 PolarHBondContact O-N 2.62Å; I338-A341 PolarHBondContact O-N 3.44Å; A341-R343 PolarHBondContact O-N 2.84Å; A341-A344 PolarHBondContact O-N 3.05Å; A341-D358 HydrophobicContact CB-CB 3.72Å; A341-V359 HydrophobicContact CB-CG2 3.91Å
342	A	94.7	Very high	92.8	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-69.1	-11	-179.2	0	0	0	0	0	114.3	I338 P340 A344 L345 V359 F394	I338-A342 VanDerWaalsContact O-CB 3.3Å; I338-A342 WeakPolarHBondContact O-CB 3.3Å; I338-A342 PolarHBondContact O-N 2.79Å; P340-A342 VanDerWaalsContact C-N 3.32Å; P340-A342 PolarHBondContact O-N 2.73Å; A342-A344 VanDerWaalsContact C-N 3.32Å; A342-A344 PolarHBondContact O-N 3.43Å; A342-L345 HydrophobicContact CB-CD1 4.11Å; A342-L345 WeakPolarHBondContact O-CB 3.39Å; A342-L345 PolarHBondContact O-N 3.42Å; A342-V359 HydrophobicContact CB-CG2 4.35Å; A342-F394 HydrophobicContact CB-CD1 3.49Å; A342-F394 VanDerWaalsContact CB-CD1 3.49Å; A342-F394 HydrophobicContact CB-CE1 4.11Å; A342-F394 HydrophobicContact CB-CG 4.28Å; A342-F394 WeakPolarHBondContact O-CE1 3.34Å
343	R	93.3	Very high	92.8	Very high	144 Å²	144	55.3 Å²	55.3	54%	0.543	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-62.3	-38.8	174.9	-71.8	176.4	173.4	130.3	1.3	112.6	P340 A341 L345 L346 F394	P340-R343 WeakPolarHBondContact O-CB 3.31Å; P340-R343 PolarHBondContact O-N 2.99Å; P340-R343 VanDerWaalsContact O-N 3.15Å; A341-R343 PolarHBondContact O-N 2.84Å; R343-L345 PolarHBondContact O-N 2.91Å; R343-L345 VanDerWaalsContact O-N 3.17Å; R343-L346 PolarHBondContact O-N 3.08Å; R343-L346 VanDerWaalsContact O-N 3.11Å; R343-F394 HydrophobicContact CB-CZ 4.48Å; R343-F394 HydrophobicContact CG-CE1 4.05Å; R343-F394 HydrophobicContact CG-CE2 4.41Å; R343-F394 HydrophobicContact CG-CZ 3.61Å
344	A	93	Very high	92.7	Very high	20 Å²	20	58.1 Å²	58.1	17%	0.165	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-61.2	-26.2	-178.2	0	0	0	0	0	112.5	A341 A342 L346 D347 L350 A355 R420	A341-A344 PolarHBondContact O-N 3.05Å; A342-A344 VanDerWaalsContact C-N 3.32Å; A342-A344 PolarHBondContact O-N 3.43Å; A344-L346 PolarHBondContact O-N 2.98Å; A344-D347 PolarHBondContact O-N 3.14Å; A344-L350 HydrophobicContact CB-CD1 3.8Å; A344-A355 WeakPolarHBondContact O-CB 3.47Å; A344-R420 PolarHBondContact O-NH1 3.09Å
345	L	95	Very high	92.7	Very high	2 Å²	2	58.1 Å²	58.1	1%	0.01	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-60.5	-28.3	176.8	-59.8	172.5	0	0	0	113.3	A342 R343 A355 T356 V359 V391 V395 L417 R420 I424	A342-L345 HydrophobicContact CB-CD1 4.11Å; A342-L345 WeakPolarHBondContact O-CB 3.39Å; A342-L345 PolarHBondContact O-N 3.42Å; R343-L345 PolarHBondContact O-N 2.91Å; R343-L345 VanDerWaalsContact O-N 3.17Å; L345-A355 VanDerWaalsContact CD2-O 3.26Å; L345-A355 WeakPolarHBondContact CD2-O 3.46Å; L345-T356 HydrophobicContact CD2-CG2 3.67Å; L345-V359 HydrophobicContact CD1-CG2 4.25Å; L345-V359 HydrophobicContact CG-CG2 4.44Å; L345-V391 HydrophobicContact CD1-CG1 3.81Å; L345-V395 HydrophobicContact CB-CG2 4.3Å; L345-V395 HydrophobicContact CD1-CG2 3.7Å; L345-L417 HydrophobicContact CB-CD2 4.4Å; L345-L417 VanDerWaalsContact O-CD2 3.3Å; L345-L417 WeakPolarHBondContact O-CD2 3.43Å; L345-R420 HydrophobicContact CD2-CB 4.1Å; L345-R420 WeakPolarHBondContact O-CD 3.47Å; L345-R420 PolarHBondContact O-NH1 3.46Å; L345-I424 HydrophobicContact CD1-CD1 4.14Å; L345-I424 HydrophobicContact CD2-CD1 3.91Å
346	L	93.4	Very high	93	Very high	11 Å²	11	55.7 Å²	55.7	6%	0.058	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-90.5	-12.8	-178	-63.9	163.3	0	0	0	113.4	R343 A344 I348 F394 V395 S398 L399 A406 L413 L417	R343-L346 PolarHBondContact O-N 3.08Å; R343-L346 VanDerWaalsContact O-N 3.11Å; A344-L346 PolarHBondContact O-N 2.98Å; L346-I348 PolarHBondContact O-N 3.02Å; L346-F394 HydrophobicContact CD1-CE1 3.8Å; L346-F394 HydrophobicContact CD1-CZ 4.1Å; L346-V395 HydrophobicContact CD2-CG1 4.25Å; L346-S398 VanDerWaalsContact CD1-CB 3.41Å; L346-L399 HydrophobicContact CD2-CD2 4.08Å; L346-L399 HydrophobicContact CD2-CG 4.39Å; L346-A406 HydrophobicContact CD1-CB 4.31Å; L346-L413 WeakPolarHBondContact O-CD1 3.39Å; L346-L417 HydrophobicContact CD2-CD1 4.36Å; L346-L417 HydrophobicContact CD2-CD2 4.34Å
347	D	90.5	Very high	93.2	Very high	63 Å²	63	53.1 Å²	53.1	34%	0.337	27%	0.273	S	S	.	.			trans	-78.8	110.4	-175.8	-171.3	-33.2	0	0	0	111.3	A344 H349 L350 R420	A344-D347 PolarHBondContact O-N 3.14Å; D347-H349 PolarHBondContact O-N 3.19Å; D347-H349 WeakPolarHBondContact OD1-CA 3.36Å; D347-H349 VanDerWaalsContact OD1-CB 3.3Å; D347-H349 WeakPolarHBondContact OD1-CB 3.24Å; D347-H349 IonicContact OD1-CD2 3.69Å; D347-H349 IonicContact OD1-CG 2.65Å; D347-H349 PolarHBondContact OD1-N 3.41Å; D347-L350 HydrophobicContact CB-CB 4.34Å; D347-L350 HydrophobicContact CB-CD1 3.94Å; D347-L350 HydrophobicContact CB-CG 3.98Å; D347-L350 PolarHBondContact OD1-N 3Å; D347-R420 VanDerWaalsContact O-CZ 3.3Å; D347-R420 PolarHBondContact O-NH1 2.96Å; D347-R420 PolarHBondContact O-NH2 3.29Å
348	I	89.7	Confident	93.4	Very high	31 Å²	31	54.6 Å²	54.6	16%	0.159	28%	0.278	C	S	.	.	S	Bend	trans	-73.5	-6.4	-179.1	63.5	170.2	0	0	0	114.4	L346 R412 L413	L346-I348 PolarHBondContact O-N 3.02Å; I348-R412 PolarHBondContact O-NE 3.43Å; I348-R412 PolarHBondContact O-NH2 2.9Å; I348-L413 HydrophobicContact CG2-CB 3.94Å; I348-L413 HydrophobicContact CG2-CD1 3.86Å; I348-L413 HydrophobicContact CG2-CG 4.49Å
349	H	89.4	Confident	93.5	Very high	155 Å²	155	54.6 Å²	54.6	72%	0.718	28%	0.278	S	S	*	.	S	Bend	trans	-98.9	-26	179.1	-53.6	-77.1	0	0	0	112.8	D347	D347-H349 PolarHBondContact O-N 3.19Å; D347-H349 WeakPolarHBondContact OD1-CA 3.36Å; D347-H349 VanDerWaalsContact OD1-CB 3.3Å; D347-H349 WeakPolarHBondContact OD1-CB 3.24Å; D347-H349 IonicContact OD1-CD2 3.69Å; D347-H349 IonicContact OD1-CG 2.65Å; D347-H349 PolarHBondContact OD1-N 3.41Å
350	L	92.6	Very high	93.8	Very high	68 Å²	68	52.1 Å²	52.1	36%	0.356	27%	0.271	S	S	.	.	S	Bend	trans	-66.3	151.1	167.6	-67.6	-179.5	0	0	0	111.4	A344 D347 A355 R420	A344-L350 HydrophobicContact CB-CD1 3.8Å; D347-L350 HydrophobicContact CB-CB 4.34Å; D347-L350 HydrophobicContact CB-CD1 3.94Å; D347-L350 HydrophobicContact CB-CG 3.98Å; D347-L350 PolarHBondContact OD1-N 3Å; L350-A355 HydrophobicContact CB-CB 4.13Å; L350-A355 HydrophobicContact CD1-CB 4.47Å; L350-R420 PolarHBondContact O-NH2 3.22Å
351	N	94.1	Very high	94	Very high	82 Å²	82	55.1 Å²	55.1	44%	0.439	28%	0.279	S	S	.	.			trans	-76.9	159.4	166	70.6	63.5	0	0	0	110.5	H353 D354 A355	N351-H353 VanDerWaalsContact C-N 3.27Å; N351-H353 PolarHBondContact O-N 3.33Å; N351-H353 WeakPolarHBondContact OD1-CB 3.31Å; N351-H353 PolarHBondContact OD1-N 3.26Å; N351-H353 VanDerWaalsContact OD1-N 3.13Å; N351-D354 PolarHBondContact ND2-OD2 3.09Å; N351-D354 PolarHBondContact O-N 3.03Å; N351-D354 PolarHBondContact OD1-N 2.86Å; N351-A355 WeakPolarHBondContact O-CB 3.23Å; N351-A355 PolarHBondContact O-N 3.39Å
352	D	93.4	Very high	94.2	Very high	57 Å²	57	55.4 Å²	55.4	31%	0.305	28%	0.28	S	S	.	.	H	α-helix	trans	-70.4	-20.6	-171.4	-56.9	-42.7	0	0	0	114.2	T356 R420	D352-T356 WeakPolarHBondContact O-CG2 3.44Å; D352-T356 PolarHBondContact O-N 2.84Å; D352-T356 PolarHBondContact O-OG1 3.03Å; D352-R420 HydrophobicContact CB-CG 3.99Å; D352-R420 IonicContact OD1-CZ 3.38Å; D352-R420 IonicContact OD1-NE 3.23Å; D352-R420 PolarHBondContact OD1-NE 2.91Å; D352-R420 IonicContact OD1-NH2 3.86Å; D352-R420 PolarHBondContact OD1-NH2 2.61Å
353	H	93	Very high	94.2	Very high	141 Å²	141	55.5 Å²	55.5	65%	0.653	28%	0.28	S	S	*	.	H	α-helix	trans	-71.3	-56.3	173.9	175.3	-85.4	0	0	0	110.2	N351 A355 T356 G357	N351-H353 VanDerWaalsContact C-N 3.27Å; N351-H353 PolarHBondContact O-N 3.33Å; N351-H353 WeakPolarHBondContact OD1-CB 3.31Å; N351-H353 PolarHBondContact OD1-N 3.26Å; N351-H353 VanDerWaalsContact OD1-N 3.13Å; H353-A355 VanDerWaalsContact C-N 3.3Å; H353-A355 PolarHBondContact O-N 2.82Å; H353-T356 PolarHBondContact O-N 3.4Å; H353-T356 PolarHBondContact O-OG1 3.34Å; H353-T356 VanDerWaalsContact O-OG1 3.13Å; H353-G357 PolarHBondContact O-N 3.18Å
354	D	94.3	Very high	94.3	Very high	87 Å²	87	50 Å²	50	47%	0.465	26%	0.262	S	S	.	.	H	α-helix	trans	-69.5	-32.6	-176.6	-57.8	-18.5	0	0	0	111.1	N351 T356 G357	N351-D354 PolarHBondContact ND2-OD2 3.09Å; N351-D354 PolarHBondContact O-N 3.03Å; N351-D354 PolarHBondContact OD1-N 2.86Å; D354-T356 PolarHBondContact O-N 3.19Å; D354-G357 PolarHBondContact O-N 3.43Å
355	A	94.2	Very high	94.4	Very high	1 Å²	1	51 Å²	51	1%	0.008	27%	0.266	C	S	.	.	H	α-helix	trans	-63	-25.1	171.6	0	0	0	0	0	114.2	A344 L345 L350 N351 H353 R420	A344-A355 WeakPolarHBondContact O-CB 3.47Å; L345-A355 VanDerWaalsContact CD2-O 3.26Å; L345-A355 WeakPolarHBondContact CD2-O 3.46Å; L350-A355 HydrophobicContact CB-CB 4.13Å; L350-A355 HydrophobicContact CD1-CB 4.47Å; N351-A355 WeakPolarHBondContact O-CB 3.23Å; N351-A355 PolarHBondContact O-N 3.39Å; H353-A355 VanDerWaalsContact C-N 3.3Å; H353-A355 PolarHBondContact O-N 2.82Å; A355-R420 HydrophobicContact CB-CG 4.42Å; A355-R420 VanDerWaalsContact CB-CZ 3.44Å
356	T	96.9	Very high	94.4	Very high	3 Å²	3	51 Å²	51	2%	0.018	27%	0.265	C	S	.	.	H	α-helix	trans	-104.3	-15.7	178.1	53.9	0	0	0	0	113.9	L345 D352 H353 D354 D358 V359 I360 R420 I424	L345-T356 HydrophobicContact CD2-CG2 3.67Å; D352-T356 WeakPolarHBondContact O-CG2 3.44Å; D352-T356 PolarHBondContact O-N 2.84Å; D352-T356 PolarHBondContact O-OG1 3.03Å; H353-T356 PolarHBondContact O-N 3.4Å; H353-T356 PolarHBondContact O-OG1 3.34Å; H353-T356 VanDerWaalsContact O-OG1 3.13Å; D354-T356 PolarHBondContact O-N 3.19Å; T356-D358 PolarHBondContact O-N 3.36Å; T356-V359 PolarHBondContact O-N 2.96Å; T356-I360 WeakPolarHBondContact O-CB 3.4Å; T356-I360 WeakPolarHBondContact O-CG1 3.45Å; T356-I360 PolarHBondContact O-N 3.11Å; T356-R420 HydrophobicContact CG2-CB 3.6Å; T356-R420 HydrophobicContact CG2-CG 3.88Å; T356-R420 WeakPolarHBondContact CG2-O 3.31Å; T356-I424 HydrophobicContact CG2-CD1 4.48Å; T356-I424 HydrophobicContact CG2-CG1 4.33Å
357	G	96.3	Very high	94.4	Very high	27 Å²	27	50.6 Å²	50.6	28%	0.278	26%	0.263	S	S	.	.	H	α-helix	trans	-53	-54.3	-172.1	0	0	0	0	0	114.1	H353 D354 V359 I360 H361	H353-G357 PolarHBondContact O-N 3.18Å; D354-G357 PolarHBondContact O-N 3.43Å; G357-V359 VanDerWaalsContact C-N 3.34Å; G357-V359 PolarHBondContact O-N 2.92Å; G357-I360 PolarHBondContact O-N 2.99Å; G357-H361 WeakPolarHBondContact O-CB 3.4Å; G357-H361 PolarHBondContact O-N 2.93Å
358	D	96.4	Very high	94.5	Very high	103 Å²	103	53.8 Å²	53.8	55%	0.551	27%	0.271	S	S	*	.	H	α-helix	trans	-62.2	-39.4	-178.2	-77.3	-17.7	0	0	0	112.8	A341 T356 L362	A341-D358 HydrophobicContact CB-CB 3.72Å; T356-D358 PolarHBondContact O-N 3.36Å; D358-L362 VanDerWaalsContact O-CB 3.31Å; D358-L362 WeakPolarHBondContact O-CB 3.38Å; D358-L362 PolarHBondContact O-N 3.03Å
359	V	97.3	Very high	94.6	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-69.1	-45.8	179.3	178.9	0	0	0	0	110.4	A341 A342 L345 T356 G357 L362 L363 V391 I424	A341-V359 HydrophobicContact CB-CG2 3.91Å; A342-V359 HydrophobicContact CB-CG2 4.35Å; L345-V359 HydrophobicContact CD1-CG2 4.25Å; L345-V359 HydrophobicContact CG-CG2 4.44Å; T356-V359 PolarHBondContact O-N 2.96Å; G357-V359 VanDerWaalsContact C-N 3.34Å; G357-V359 PolarHBondContact O-N 2.92Å; V359-L362 PolarHBondContact O-N 3.29Å; V359-L363 HydrophobicContact CG1-CD1 4.14Å; V359-L363 WeakPolarHBondContact O-CB 3.3Å; V359-L363 VanDerWaalsContact O-CG 3.28Å; V359-L363 WeakPolarHBondContact O-CG 3.25Å; V359-L363 PolarHBondContact O-N 2.75Å; V359-V391 HydrophobicContact CG1-CG2 3.95Å; V359-I424 HydrophobicContact CG1-CD1 4.01Å; V359-I424 HydrophobicContact CG1-CG1 4.5Å
360	I	97.3	Very high	94.7	Very high	32 Å²	32	46.4 Å²	46.4	16%	0.164	24%	0.236	C	C	.	.	H	α-helix	trans	-65.2	-41	177.9	-71.1	174.7	0	0	0	110.9	T356 G357 L363 D364 I424 F427	T356-I360 WeakPolarHBondContact O-CB 3.4Å; T356-I360 WeakPolarHBondContact O-CG1 3.45Å; T356-I360 PolarHBondContact O-N 3.11Å; G357-I360 PolarHBondContact O-N 2.99Å; I360-L363 PolarHBondContact O-N 2.81Å; I360-D364 PolarHBondContact O-N 3.31Å; I360-I424 HydrophobicContact CD1-CG1 4.44Å; I360-I424 HydrophobicContact CG1-CG1 4.17Å; I360-F427 HydrophobicContact CD1-CB 4.44Å; I360-F427 HydrophobicContact CG1-CB 4.36Å; I360-F427 HydrophobicContact CG1-CG 4.45Å; I360-F427 HydrophobicContact CG2-CB 4.43Å; I360-F427 HydrophobicContact CG2-CD1 4.47Å; I360-F427 HydrophobicContact CG2-CD2 3.61Å; I360-F427 HydrophobicContact CG2-CE2 4Å; I360-F427 HydrophobicContact CG2-CG 3.88Å
361	H	96.3	Very high	94.5	Very high	121 Å²	121	48.4 Å²	48.4	56%	0.56	24%	0.239	S	C	*	.	H	α-helix	trans	-66.8	-39.9	177.1	178.1	-114.2	0	0	0	112.6	G357 D364 T365	G357-H361 WeakPolarHBondContact O-CB 3.4Å; G357-H361 PolarHBondContact O-N 2.93Å; H361-D364 PolarHBondContact O-N 3.12Å; H361-T365 WeakPolarHBondContact NE2-CG2 3.43Å; H361-T365 WeakPolarHBondContact O-CB 3.31Å; H361-T365 WeakPolarHBondContact O-CG2 3.04Å; H361-T365 PolarHBondContact O-N 3.11Å; H361-T365 PolarHBondContact O-OG1 2.7Å
362	L	96.3	Very high	94.3	Very high	16 Å²	16	49 Å²	49	8%	0.084	24%	0.241	C	C	.	.	H	α-helix	trans	-64.5	-41	173.7	-178.3	61.2	0	0	0	111.6	L334 V337 I338 D358 V359 T365 T366	L334-L362 HydrophobicContact CD2-CD1 4.27Å; V337-L362 HydrophobicContact CB-CD2 4.2Å; V337-L362 HydrophobicContact CG1-CD1 4.1Å; V337-L362 HydrophobicContact CG1-CD2 4.02Å; I338-L362 HydrophobicContact CB-CD2 3.61Å; I338-L362 HydrophobicContact CD1-CD2 4.28Å; I338-L362 HydrophobicContact CG1-CD2 3.9Å; D358-L362 VanDerWaalsContact O-CB 3.31Å; D358-L362 WeakPolarHBondContact O-CB 3.38Å; D358-L362 PolarHBondContact O-N 3.03Å; V359-L362 PolarHBondContact O-N 3.29Å; L362-T365 PolarHBondContact O-OG1 2.8Å; L362-T366 WeakPolarHBondContact O-CB 3.48Å; L362-T366 PolarHBondContact O-N 3.01Å; L362-T366 PolarHBondContact O-OG1 3.48Å
363	L	95.8	Very high	94.1	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-65.3	-47.8	175.3	-70.6	169.2	0	0	0	111.5	V359 I360 T366 M367 L387 L388 I424 F427	V359-L363 HydrophobicContact CG1-CD1 4.14Å; V359-L363 WeakPolarHBondContact O-CB 3.3Å; V359-L363 VanDerWaalsContact O-CG 3.28Å; V359-L363 WeakPolarHBondContact O-CG 3.25Å; V359-L363 PolarHBondContact O-N 2.75Å; I360-L363 PolarHBondContact O-N 2.81Å; L363-T366 PolarHBondContact O-N 3.01Å; L363-M367 WeakPolarHBondContact O-CB 3.49Å; L363-M367 WeakPolarHBondContact O-CG 3.48Å; L363-M367 PolarHBondContact O-N 3.21Å; L363-L387 HydrophobicContact CD2-CB 3.82Å; L363-L387 HydrophobicContact CD2-CD1 4.11Å; L363-L388 HydrophobicContact CD1-CD2 4.4Å; L363-I424 HydrophobicContact CD1-CG2 4.11Å; L363-F427 HydrophobicContact CB-CD1 4.29Å; L363-F427 HydrophobicContact CB-CE1 3.65Å; L363-F427 HydrophobicContact CB-CZ 4.44Å; L363-F427 HydrophobicContact CD1-CD1 4.4Å
364	D	95.1	Very high	93.9	Very high	30 Å²	30	39.9 Å²	39.9	16%	0.16	20%	0.198	C	C	.	.	H	α-helix	trans	-60.1	-55.6	178.5	-175.2	82.6	0	0	0	111.9	I360 H361 T366 M367 R368 F427	I360-D364 PolarHBondContact O-N 3.31Å; H361-D364 PolarHBondContact O-N 3.12Å; D364-T366 PolarHBondContact O-N 3.27Å; D364-M367 PolarHBondContact O-N 3.5Å; D364-R368 WeakPolarHBondContact O-CB 3.38Å; D364-R368 PolarHBondContact O-N 3.45Å; D364-R368 IonicContact OD1-CZ 3.89Å; D364-R368 IonicContact OD1-NE 2.67Å; D364-R368 IonicContact OD1-NH2 2.59Å; D364-R368 PolarHBondContact OD1-NH2 2.76Å; D364-R368 IonicContact OD2-CZ 3.72Å; D364-R368 VanDerWaalsContact OD2-CZ 3.25Å; D364-R368 IonicContact OD2-NE 3.61Å; D364-R368 PolarHBondContact OD2-NE 3.38Å; D364-R368 IonicContact OD2-NH2 3.65Å; D364-R368 PolarHBondContact OD2-NH2 2.91Å; D364-F427 HydrophobicContact CB-CE2 3.98Å; D364-F427 HydrophobicContact CB-CZ 3.63Å
365	T	95.6	Very high	93.7	Very high	41 Å²	41	35.9 Å²	35.9	25%	0.252	18%	0.177	S	C	.	.	H	α-helix	trans	-59.7	-36.4	-176.9	56.1	0	0	0	0	112.1	K288 H361 L362 Q369	K288-T365 PolarHBondContact NZ-OG1 3.33Å; H361-T365 WeakPolarHBondContact NE2-CG2 3.43Å; H361-T365 WeakPolarHBondContact O-CB 3.31Å; H361-T365 WeakPolarHBondContact O-CG2 3.04Å; H361-T365 PolarHBondContact O-N 3.11Å; H361-T365 PolarHBondContact O-OG1 2.7Å; L362-T365 PolarHBondContact O-OG1 2.8Å; T365-Q369 WeakPolarHBondContact O-CB 3.28Å; T365-Q369 PolarHBondContact O-N 3.49Å
366	T	95.3	Very high	93.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-74	-44.2	179.6	-54.9	0	0	0	0	112	I292 L334 L362 L363 D364 A370 L383 L387	I292-T366 HydrophobicContact CD1-CG2 3.96Å; L334-T366 HydrophobicContact CD1-CG2 3.88Å; L334-T366 HydrophobicContact CD2-CG2 4.2Å; L362-T366 WeakPolarHBondContact O-CB 3.48Å; L362-T366 PolarHBondContact O-N 3.01Å; L362-T366 PolarHBondContact O-OG1 3.48Å; L363-T366 PolarHBondContact O-N 3.01Å; D364-T366 PolarHBondContact O-N 3.27Å; T366-A370 WeakPolarHBondContact O-CB 3.45Å; T366-A370 PolarHBondContact O-N 3.31Å; T366-L383 HydrophobicContact CG2-CD2 4.14Å; T366-L387 HydrophobicContact CG2-CD1 4.18Å
367	M	92.9	Very high	93.1	Very high	3 Å²	3	39.9 Å²	39.9	2%	0.015	21%	0.207	C	C	.	.	H	α-helix	trans	-71.3	-33.9	176.9	-66	-63.3	102.3	0	0	112.3	L363 D364 A370 R371 T380 L383 C384 L387 M431	L363-M367 WeakPolarHBondContact O-CB 3.49Å; L363-M367 WeakPolarHBondContact O-CG 3.48Å; L363-M367 PolarHBondContact O-N 3.21Å; D364-M367 PolarHBondContact O-N 3.5Å; M367-A370 PolarHBondContact O-N 3.26Å; M367-R371 WeakPolarHBondContact O-CG 3.39Å; M367-R371 PolarHBondContact O-N 3.42Å; M367-T380 HydrophobicContact SD-CG2 3.64Å; M367-L383 HydrophobicContact CE-CB 4.27Å; M367-L383 HydrophobicContact CE-CD2 3.81Å; M367-L383 HydrophobicContact CE-CG 3.88Å; M367-C384 HydrophobicContact CE-CB 4.28Å; M367-C384 HydrophobicContact SD-CB 3.84Å; M367-L387 HydrophobicContact CE-CD1 4Å; M367-M431 HydrophobicContact CB-CE 3.48Å; M367-M431 VanDerWaalsContact CB-CE 3.48Å; M367-M431 HydrophobicContact CG-CE 4.24Å
368	R	91.7	Very high	92.8	Very high	131 Å²	131	40.7 Å²	40.7	49%	0.494	21%	0.211	S	C	.	.	H	α-helix	trans	-64.6	-46.3	173.7	-173.9	179.9	-59.4	-85.9	-8	110.8	D364 A370 R371 I372	D364-R368 WeakPolarHBondContact O-CB 3.38Å; D364-R368 PolarHBondContact O-N 3.45Å; D364-R368 IonicContact OD1-CZ 3.89Å; D364-R368 IonicContact OD1-NE 2.67Å; D364-R368 IonicContact OD1-NH2 2.59Å; D364-R368 PolarHBondContact OD1-NH2 2.76Å; D364-R368 IonicContact OD2-CZ 3.72Å; D364-R368 VanDerWaalsContact OD2-CZ 3.25Å; D364-R368 IonicContact OD2-NE 3.61Å; D364-R368 PolarHBondContact OD2-NE 3.38Å; D364-R368 IonicContact OD2-NH2 3.65Å; D364-R368 PolarHBondContact OD2-NH2 2.91Å; R368-A370 PolarHBondContact O-N 3.45Å; R368-R371 PolarHBondContact O-N 2.88Å; R368-I372 HydrophobicContact CG-CD1 4Å; R368-I372 VanDerWaalsContact O-CG1 3.3Å; R368-I372 WeakPolarHBondContact O-CG1 3.26Å; R368-I372 PolarHBondContact O-N 2.7Å
369	Q	92.3	Very high	92.6	Very high	31 Å²	31	35.8 Å²	35.8	15%	0.145	19%	0.185	C	C	.	.	H	α-helix	trans	-62.4	-41.3	174	-177.2	67.1	-4.4	0	0	111.8	D289 I292 T365 R371 I372 C373	D289-Q369 HydrophobicContact CB-CG 4.05Å; I292-Q369 HydrophobicContact CB-CG 4.31Å; I292-Q369 HydrophobicContact CD1-CB 4.23Å; I292-Q369 HydrophobicContact CD1-CG 4.04Å; I292-Q369 HydrophobicContact CG2-CG 4.03Å; T365-Q369 WeakPolarHBondContact O-CB 3.28Å; T365-Q369 PolarHBondContact O-N 3.49Å; Q369-R371 PolarHBondContact O-N 3.16Å; Q369-I372 PolarHBondContact O-N 2.88Å; Q369-C373 PolarHBondContact NE2-SG 3.14Å; Q369-C373 WeakPolarHBondContact O-CB 3.32Å; Q369-C373 PolarHBondContact O-N 2.56Å; Q369-C373 PolarHBondContact O-SG 2.75Å
370	A	92.2	Very high	92.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-56.9	-46.4	175.1	0	0	0	0	0	112.5	I292 T366 M367 R368 C373 G374 L375 T380	I292-A370 HydrophobicContact CG2-CB 4.25Å; T366-A370 WeakPolarHBondContact O-CB 3.45Å; T366-A370 PolarHBondContact O-N 3.31Å; M367-A370 PolarHBondContact O-N 3.26Å; R368-A370 PolarHBondContact O-N 3.45Å; A370-C373 PolarHBondContact O-N 2.9Å; A370-G374 PolarHBondContact O-N 3.11Å; A370-L375 HydrophobicContact CB-CB 4.13Å; A370-L375 HydrophobicContact CB-CD2 3.9Å; A370-L375 VanDerWaalsContact O-CB 3.29Å; A370-L375 WeakPolarHBondContact O-CB 3.37Å; A370-L375 PolarHBondContact O-N 3.16Å; A370-T380 HydrophobicContact CB-CG2 4.29Å
371	R	88.9	Confident	92	Very high	110 Å²	110	38.6 Å²	38.6	42%	0.415	20%	0.2	S	C	.	.	H	α-helix	trans	-64	-43.7	175	-67.6	173.2	-172.7	151.3	0.6	112.4	M367 R368 Q369 C373 G374 M431	M367-R371 WeakPolarHBondContact O-CG 3.39Å; M367-R371 PolarHBondContact O-N 3.42Å; R368-R371 PolarHBondContact O-N 2.88Å; Q369-R371 PolarHBondContact O-N 3.16Å; R371-C373 VanDerWaalsContact C-N 3.34Å; R371-C373 PolarHBondContact O-N 3.44Å; R371-G374 PolarHBondContact O-N 3.32Å; R371-M431 VanDerWaalsContact NH1-CE 3.31Å; R371-M431 PolarHBondContact NH1-SD 2.74Å; R371-M431 PolarHBondContact NH2-O 2.96Å; R371-M431 PolarHBondContact NH2-SD 3.29Å; R371-M431 VanDerWaalsContact NH2-SD 3.38Å
372	I	88	Confident	91.8	Very high	94 Å²	94	33.5 Å²	33.5	48%	0.482	18%	0.177	S	C	.	.	H	α-helix	trans	-62	-40.8	178.4	-71.8	166.5	0	0	0	111.6	R245 R368 Q369 G374	R245-I372 HydrophobicContact CG-CG2 4.48Å; R245-I372 VanDerWaalsContact CG-O 3.27Å; R245-I372 WeakPolarHBondContact CG-O 3.47Å; R368-I372 HydrophobicContact CG-CD1 4Å; R368-I372 VanDerWaalsContact O-CG1 3.3Å; R368-I372 WeakPolarHBondContact O-CG1 3.26Å; R368-I372 PolarHBondContact O-N 2.7Å; Q369-I372 PolarHBondContact O-N 2.88Å; I372-G374 PolarHBondContact O-N 3.21Å
373	C	90.3	Very high	91.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-9.6	178	-72.4	0	0	0	0	114.2	I292 A296 Q369 A370 R371	I292-C373 HydrophobicContact CG2-CB 4.01Å; A296-C373 HydrophobicContact CB-CB 4.2Å; A296-C373 WeakPolarHBondContact CB-O 3.42Å; Q369-C373 PolarHBondContact NE2-SG 3.14Å; Q369-C373 WeakPolarHBondContact O-CB 3.32Å; Q369-C373 PolarHBondContact O-N 2.56Å; Q369-C373 PolarHBondContact O-SG 2.75Å; A370-C373 PolarHBondContact O-N 2.9Å; R371-C373 VanDerWaalsContact C-N 3.34Å; R371-C373 PolarHBondContact O-N 3.44Å
374	G	88.3	Confident	91.7	Very high	6 Å²	6	32.8 Å²	32.8	6%	0.062	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	36.2	-173.3	0	0	0	0	0	113.3	A370 R371 I372 Y535	A370-G374 PolarHBondContact O-N 3.11Å; R371-G374 PolarHBondContact O-N 3.32Å; I372-G374 PolarHBondContact O-N 3.21Å; G374-Y535 VanDerWaalsContact CA-CE1 3.42Å; G374-Y535 WeakPolarHBondContact O-CB 3.23Å; G374-Y535 WeakPolarHBondContact O-CD2 3.27Å
375	L	91.5	Very high	91.6	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.021	17%	0.165	C	C	.	.			trans	-70.2	131.2	173.9	-172.2	65.6	0	0	0	109.9	L295 A296 A370 L379	L295-L375 HydrophobicContact CB-CD1 4.29Å; L295-L375 HydrophobicContact CD2-CD1 3.79Å; L295-L375 HydrophobicContact CD2-CD2 4.14Å; L295-L375 HydrophobicContact CG-CD1 3.78Å; A296-L375 HydrophobicContact CB-CB 4.25Å; A296-L375 HydrophobicContact CB-CD1 4.09Å; A370-L375 HydrophobicContact CB-CB 4.13Å; A370-L375 HydrophobicContact CB-CD2 3.9Å; A370-L375 VanDerWaalsContact O-CB 3.29Å; A370-L375 WeakPolarHBondContact O-CB 3.37Å; A370-L375 PolarHBondContact O-N 3.16Å; L375-L379 HydrophobicContact CD1-CB 3.87Å; L375-L379 HydrophobicContact CD1-CD1 3.79Å; L375-L379 HydrophobicContact CD1-CG 4.48Å; L375-L379 HydrophobicContact CD2-CB 4.16Å; L375-L379 HydrophobicContact CG-CB 3.9Å
376	N	89.9	Confident	91.6	Very high	21 Å²	21	30.4 Å²	30.4	11%	0.112	16%	0.158	C	C	.	.			trans	-53.6	142.7	177.4	179.9	-71.9	0	0	0	112.1	A378 L379 T380 P531 D533	N376-A378 VanDerWaalsContact C-N 3.3Å; N376-A378 PolarHBondContact O-N 2.92Å; N376-A378 WeakPolarHBondContact OD1-CB 3.49Å; N376-A378 PolarHBondContact OD1-N 2.98Å; N376-L379 PolarHBondContact O-N 2.81Å; N376-L379 VanDerWaalsContact O-N 3.09Å; N376-T380 PolarHBondContact O-N 3.11Å; N376-T380 PolarHBondContact O-OG1 3.33Å; N376-T380 VanDerWaalsContact O-OG1 3.05Å; N376-P531 HydrophobicContact CB-CB 4.18Å; N376-P531 HydrophobicContact CB-CG 3.75Å; N376-P531 VanDerWaalsContact CG-CB 3.44Å; N376-P531 VanDerWaalsContact CG-CG 3.42Å; N376-P531 WeakPolarHBondContact ND2-CB 3.42Å; N376-P531 WeakPolarHBondContact OD1-CB 3.29Å; N376-P531 WeakPolarHBondContact OD1-CG 3.35Å; N376-D533 PolarHBondContact ND2-O 3.45Å
377	A	87.7	Confident	91.6	Very high	66 Å²	66	30.4 Å²	30.4	55%	0.545	16%	0.158	S	C	.	.	H	α-helix	trans	-56.5	-38.8	-177.6	0	0	0	0	0	113.4	T380 I381	A377-T380 WeakPolarHBondContact O-CB 3.36Å; A377-T380 PolarHBondContact O-N 3.37Å; A377-I381 VanDerWaalsContact O-CG1 3.28Å; A377-I381 WeakPolarHBondContact O-CG1 3.44Å; A377-I381 PolarHBondContact O-N 2.99Å
378	A	89.3	Confident	91.8	Very high	44 Å²	44	30.3 Å²	30.3	36%	0.364	16%	0.157	S	C	.	.	H	α-helix	trans	-70.2	-30.5	178.3	0	0	0	0	0	113.1	N376 Q382 P531	N376-A378 VanDerWaalsContact C-N 3.3Å; N376-A378 PolarHBondContact O-N 2.92Å; N376-A378 WeakPolarHBondContact OD1-CB 3.49Å; N376-A378 PolarHBondContact OD1-N 2.98Å; A378-Q382 WeakPolarHBondContact O-CB 3.48Å; A378-Q382 VanDerWaalsContact O-CG 3.32Å; A378-Q382 WeakPolarHBondContact O-CG 3.5Å; A378-Q382 PolarHBondContact O-N 3.2Å; A378-Q382 VanDerWaalsContact O-N 3.1Å; A378-Q382 PolarHBondContact O-NE2 3Å; A378-P531 HydrophobicContact CB-CG 4.35Å
379	L	92.3	Very high	91.9	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-74	-35.6	169.9	-73	171	0	0	0	111.4	L295 L375 N376 Q382 L383 F528 P531	L295-L379 HydrophobicContact CG-CD1 4.47Å; L375-L379 HydrophobicContact CD1-CB 3.87Å; L375-L379 HydrophobicContact CD1-CD1 3.79Å; L375-L379 HydrophobicContact CD1-CG 4.48Å; L375-L379 HydrophobicContact CD2-CB 4.16Å; L375-L379 HydrophobicContact CG-CB 3.9Å; N376-L379 PolarHBondContact O-N 2.81Å; N376-L379 VanDerWaalsContact O-N 3.09Å; L379-Q382 PolarHBondContact O-N 2.88Å; L379-L383 WeakPolarHBondContact O-CB 3.27Å; L379-L383 PolarHBondContact O-N 2.97Å; L379-F528 HydrophobicContact CD2-CE2 3.59Å; L379-F528 HydrophobicContact CD2-CZ 3.61Å; L379-P531 HydrophobicContact CD1-CG 3.9Å; L379-P531 HydrophobicContact CG-CG 3.67Å
380	T	91.9	Very high	92.1	Very high	15 Å²	15	24 Å²	24	9%	0.092	13%	0.134	C	C	.	.	H	α-helix	trans	-65.2	-42.7	175.3	-55.8	0	0	0	0	111.5	M367 A370 N376 A377 L383 C384	M367-T380 HydrophobicContact SD-CG2 3.64Å; A370-T380 HydrophobicContact CB-CG2 4.29Å; N376-T380 PolarHBondContact O-N 3.11Å; N376-T380 PolarHBondContact O-OG1 3.33Å; N376-T380 VanDerWaalsContact O-OG1 3.05Å; A377-T380 WeakPolarHBondContact O-CB 3.36Å; A377-T380 PolarHBondContact O-N 3.37Å; T380-L383 PolarHBondContact O-N 3.34Å; T380-C384 WeakPolarHBondContact O-CB 3.45Å; T380-C384 PolarHBondContact O-N 3.48Å
381	I	90.6	Very high	92.3	Very high	77 Å²	77	24.2 Å²	24.2	40%	0.395	14%	0.135	S	C	.	.	H	α-helix	trans	-64.2	-44.6	174	-68.9	162.2	0	0	0	110.9	A377 L383 C384 G385 V433	A377-I381 VanDerWaalsContact O-CG1 3.28Å; A377-I381 WeakPolarHBondContact O-CG1 3.44Å; A377-I381 PolarHBondContact O-N 2.99Å; I381-L383 PolarHBondContact O-N 2.88Å; I381-C384 PolarHBondContact O-N 2.97Å; I381-G385 PolarHBondContact O-N 3.16Å; I381-V433 HydrophobicContact CG1-CG1 4.3Å
382	Q	93.1	Very high	92.6	Very high	14 Å²	14	19.1 Å²	19.1	7%	0.065	12%	0.116	C	C	.	.	H	α-helix	trans	-60.4	-44.8	175.1	-79.6	171.5	94.6	0	0	111.9	F327 A378 L379 G385 H386 L529	F327-Q382 HydrophobicContact CE2-CB 4.18Å; F327-Q382 HydrophobicContact CZ-CB 4.01Å; A378-Q382 WeakPolarHBondContact O-CB 3.48Å; A378-Q382 VanDerWaalsContact O-CG 3.32Å; A378-Q382 WeakPolarHBondContact O-CG 3.5Å; A378-Q382 PolarHBondContact O-N 3.2Å; A378-Q382 VanDerWaalsContact O-N 3.1Å; A378-Q382 PolarHBondContact O-NE2 3Å; L379-Q382 PolarHBondContact O-N 2.88Å; Q382-G385 PolarHBondContact O-N 3.41Å; Q382-H386 PolarHBondContact O-N 3.49Å; Q382-H386 PolarHBondContact O-ND1 3.46Å; Q382-L529 PolarHBondContact NE2-O 2.67Å
383	L	94	Very high	92.9	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-61.7	-45.9	177.2	-177.4	60.7	0	0	0	111.4	F327 L330 V331 L334 T366 M367 L379 T380 I381 G385 H386 L387	F327-L383 HydrophobicContact CE2-CB 4.03Å; F327-L383 HydrophobicContact CE2-CD1 4.36Å; L330-L383 HydrophobicContact CD2-CD1 3.84Å; L330-L383 HydrophobicContact CD2-CD2 3.87Å; L330-L383 HydrophobicContact CG-CD1 4.07Å; V331-L383 HydrophobicContact CG2-CD1 4.33Å; L334-L383 HydrophobicContact CD1-CD1 3.9Å; T366-L383 HydrophobicContact CG2-CD2 4.14Å; M367-L383 HydrophobicContact CE-CB 4.27Å; M367-L383 HydrophobicContact CE-CD2 3.81Å; M367-L383 HydrophobicContact CE-CG 3.88Å; L379-L383 WeakPolarHBondContact O-CB 3.27Å; L379-L383 PolarHBondContact O-N 2.97Å; T380-L383 PolarHBondContact O-N 3.34Å; I381-L383 PolarHBondContact O-N 2.88Å; L383-G385 PolarHBondContact O-N 3.41Å; L383-H386 PolarHBondContact O-N 2.79Å; L383-L387 HydrophobicContact CD1-CD1 4.48Å; L383-L387 HydrophobicContact CG-CD1 4.16Å; L383-L387 VanDerWaalsContact O-CG 3.31Å; L383-L387 WeakPolarHBondContact O-CG 3.23Å; L383-L387 PolarHBondContact O-N 2.93Å; L383-L387 VanDerWaalsContact O-N 3.08Å
384	C	94.2	Very high	93	Very high	1 Å²	1	16 Å²	16	1%	0.007	10%	0.099	C	C	.	.	H	α-helix	trans	-60.5	-44.2	175.9	-168.4	0	0	0	0	111.9	M367 T380 I381 H386 L387 L388	M367-C384 HydrophobicContact CE-CB 4.28Å; M367-C384 HydrophobicContact SD-CB 3.84Å; T380-C384 WeakPolarHBondContact O-CB 3.45Å; T380-C384 PolarHBondContact O-N 3.48Å; I381-C384 PolarHBondContact O-N 2.97Å; C384-H386 PolarHBondContact O-N 3.33Å; C384-L387 PolarHBondContact O-N 2.8Å; C384-L388 WeakPolarHBondContact O-CB 3.44Å; C384-L388 WeakPolarHBondContact O-CD1 3.38Å; C384-L388 VanDerWaalsContact O-CG 3.31Å; C384-L388 WeakPolarHBondContact O-CG 3.38Å; C384-L388 PolarHBondContact O-N 3.26Å; C384-L388 VanDerWaalsContact SG-CD1 3.55Å
385	G	94.6	Very high	93.3	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-59.6	-42.6	176.5	0	0	0	0	0	113.4	I381 Q382 L383 L388 H389	I381-G385 PolarHBondContact O-N 3.16Å; Q382-G385 PolarHBondContact O-N 3.41Å; L383-G385 PolarHBondContact O-N 3.41Å; G385-L388 PolarHBondContact O-N 3.31Å; G385-H389 WeakPolarHBondContact O-CB 3.44Å; G385-H389 PolarHBondContact O-N 3.35Å
386	H	94.9	Very high	93.4	Very high	21 Å²	21	15.6 Å²	15.6	10%	0.097	10%	0.095	C	C	.	.	H	α-helix	trans	-64.2	-40.8	174.5	-74.1	72.7	0	0	0	112	F327 V331 Q382 L383 C384 H389 M390	F327-H386 AromaticContact CE1-CE1 3.62Å; F327-H386 AromaticContact CE1-ND1 3.88Å; F327-H386 AromaticContact CE1-NE2 3.85Å; F327-H386 AromaticContact CZ-CE1 3.8Å; F327-H386 AromaticContact CZ-ND1 3.65Å; V331-H386 HydrophobicContact CG1-CB 4.28Å; V331-H386 HydrophobicContact CG2-CB 4.03Å; Q382-H386 PolarHBondContact O-N 3.49Å; Q382-H386 PolarHBondContact O-ND1 3.46Å; L383-H386 PolarHBondContact O-N 2.79Å; C384-H386 PolarHBondContact O-N 3.33Å; H386-H389 PolarHBondContact O-N 3.47Å; H386-M390 WeakPolarHBondContact O-CE 3.16Å; H386-M390 VanDerWaalsContact O-CG 3.32Å; H386-M390 WeakPolarHBondContact O-CG 3.4Å; H386-M390 PolarHBondContact O-N 3.48Å
387	L	95.4	Very high	93.6	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.005	10%	0.096	C	C	.	.	H	α-helix	trans	-64.1	-44.8	177.4	-67.4	163.1	0	0	0	111.8	L334 I338 L363 T366 M367 L383 C384 M390 V391	L334-L387 HydrophobicContact CB-CD2 3.74Å; L334-L387 HydrophobicContact CD1-CD1 4.41Å; L334-L387 HydrophobicContact CD1-CD2 3.94Å; L334-L387 HydrophobicContact CG-CD2 4.33Å; I338-L387 HydrophobicContact CD1-CB 3.85Å; I338-L387 HydrophobicContact CD1-CD2 3.7Å; I338-L387 HydrophobicContact CD1-CG 4.4Å; I338-L387 WeakPolarHBondContact CD1-O 3.16Å; L363-L387 HydrophobicContact CD2-CB 3.82Å; L363-L387 HydrophobicContact CD2-CD1 4.11Å; T366-L387 HydrophobicContact CG2-CD1 4.18Å; M367-L387 HydrophobicContact CE-CD1 4Å; L383-L387 HydrophobicContact CD1-CD1 4.48Å; L383-L387 HydrophobicContact CG-CD1 4.16Å; L383-L387 VanDerWaalsContact O-CG 3.31Å; L383-L387 WeakPolarHBondContact O-CG 3.23Å; L383-L387 PolarHBondContact O-N 2.93Å; L383-L387 VanDerWaalsContact O-N 3.08Å; C384-L387 PolarHBondContact O-N 2.8Å; L387-M390 HydrophobicContact CD2-CE 3.78Å; L387-M390 HydrophobicContact CG-CE 4.39Å; L387-M390 PolarHBondContact O-N 3.47Å; L387-V391 WeakPolarHBondContact O-CG2 3.41Å; L387-V391 PolarHBondContact O-N 3.3Å; L387-V391 VanDerWaalsContact O-N 3.08Å
388	L	96.1	Very high	93.8	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-67.5	-38	177.9	-67.8	162.5	0	0	0	111.9	L363 C384 G385 V391 N392 I424 A436 A437 H440 L441	L363-L388 HydrophobicContact CD1-CD2 4.4Å; C384-L388 WeakPolarHBondContact O-CB 3.44Å; C384-L388 WeakPolarHBondContact O-CD1 3.38Å; C384-L388 VanDerWaalsContact O-CG 3.31Å; C384-L388 WeakPolarHBondContact O-CG 3.38Å; C384-L388 PolarHBondContact O-N 3.26Å; C384-L388 VanDerWaalsContact SG-CD1 3.55Å; G385-L388 PolarHBondContact O-N 3.31Å; L388-V391 PolarHBondContact O-N 3.28Å; L388-N392 PolarHBondContact O-N 3.42Å; L388-I424 HydrophobicContact CD2-CG2 4.04Å; L388-A436 HydrophobicContact CD1-CB 3.9Å; L388-A437 HydrophobicContact CD1-CB 4.08Å; L388-A437 HydrophobicContact CD2-CB 4.42Å; L388-H440 HydrophobicContact CB-CB 3.96Å; L388-L441 HydrophobicContact CB-CD2 4.31Å; L388-L441 HydrophobicContact CD2-CD1 3.96Å; L388-L441 HydrophobicContact CD2-CD2 4.15Å; L388-L441 HydrophobicContact CD2-CG 4.12Å; L388-L441 WeakPolarHBondContact O-CD2 3.39Å
389	H	95.8	Very high	93.9	Very high	17 Å²	17	11.6 Å²	11.6	8%	0.079	6%	0.06	C	C	.	.	H	α-helix	trans	-62.6	-42.7	171.8	-179.4	79.6	0	0	0	112	G385 H386 V391 N392 A393 H440 S521 L524	G385-H389 WeakPolarHBondContact O-CB 3.44Å; G385-H389 PolarHBondContact O-N 3.35Å; H386-H389 PolarHBondContact O-N 3.47Å; H389-V391 VanDerWaalsContact C-N 3.3Å; H389-V391 PolarHBondContact O-N 2.8Å; H389-N392 PolarHBondContact O-N 3.12Å; H389-N392 VanDerWaalsContact O-N 3.16Å; H389-A393 WeakPolarHBondContact O-CB 3.13Å; H389-A393 PolarHBondContact O-N 3.05Å; H389-H440 HydrophobicContact CB-CB 4.46Å; H389-S521 PolarHBondContact NE2-O 2.97Å; H389-L524 HydrophobicContact CB-CB 4.22Å; H389-L524 HydrophobicContact CB-CD1 4.37Å; H389-L524 HydrophobicContact CB-CD2 3.9Å; H389-L524 HydrophobicContact CB-CG 4.39Å
390	M	95.1	Very high	93.9	Very high	13 Å²	13	11.6 Å²	11.6	6%	0.064	6%	0.06	C	C	.	.	H	α-helix	trans	-64.3	-32.7	176.3	-72.5	-176.4	-67.1	0	0	112.8	V331 Q335 I338 H386 L387 F394	V331-M390 HydrophobicContact CG1-CE 4.02Å; V331-M390 HydrophobicContact CG1-SD 4.17Å; Q335-M390 HydrophobicContact CB-SD 3.48Å; Q335-M390 WeakPolarHBondContact CB-SD 3.43Å; Q335-M390 HydrophobicContact CG-SD 3.55Å; Q335-M390 VanDerWaalsContact CG-SD 3.55Å; I338-M390 HydrophobicContact CG2-CB 3.95Å; I338-M390 HydrophobicContact CG2-CE 4.18Å; I338-M390 HydrophobicContact CG2-SD 4.3Å; H386-M390 WeakPolarHBondContact O-CE 3.16Å; H386-M390 VanDerWaalsContact O-CG 3.32Å; H386-M390 WeakPolarHBondContact O-CG 3.4Å; H386-M390 PolarHBondContact O-N 3.48Å; L387-M390 HydrophobicContact CD2-CE 3.78Å; L387-M390 HydrophobicContact CG-CE 4.39Å; L387-M390 PolarHBondContact O-N 3.47Å; M390-F394 VanDerWaalsContact O-CB 3.28Å; M390-F394 WeakPolarHBondContact O-CB 3.41Å; M390-F394 PolarHBondContact O-N 3.33Å; M390-F394 VanDerWaalsContact O-N 3.11Å
391	V	96.1	Very high	93.5	Very high	4 Å²	4	12.2 Å²	12.2	2%	0.024	7%	0.065	C	C	.	.	H	α-helix	trans	-66.7	-47.9	169.8	174.2	0	0	0	0	110.6	I338 L345 V359 L387 L388 H389 F394 V395 L441	I338-V391 HydrophobicContact CD1-CG2 3.69Å; I338-V391 HydrophobicContact CG1-CG2 3.77Å; L345-V391 HydrophobicContact CD1-CG1 3.81Å; V359-V391 HydrophobicContact CG1-CG2 3.95Å; L387-V391 WeakPolarHBondContact O-CG2 3.41Å; L387-V391 PolarHBondContact O-N 3.3Å; L387-V391 VanDerWaalsContact O-N 3.08Å; L388-V391 PolarHBondContact O-N 3.28Å; H389-V391 VanDerWaalsContact C-N 3.3Å; H389-V391 PolarHBondContact O-N 2.8Å; V391-F394 PolarHBondContact O-N 2.88Å; V391-V395 HydrophobicContact CG1-CG2 4.23Å; V391-V395 WeakPolarHBondContact O-CB 3.47Å; V391-V395 VanDerWaalsContact O-CG2 3.32Å; V391-V395 WeakPolarHBondContact O-CG2 3.34Å; V391-V395 PolarHBondContact O-N 3Å; V391-L441 HydrophobicContact CB-CD2 4.22Å; V391-L441 HydrophobicContact CG1-CD2 4.09Å
392	N	95.4	Very high	92.6	Very high	4 Å²	4	13.2 Å²	13.2	2%	0.021	8%	0.075	C	C	.	.	H	α-helix	trans	-60.9	-50.5	178.7	174.3	88.5	0	0	0	112.2	L388 H389 F394 V395 F396 H440 L441 R443 S444	L388-N392 PolarHBondContact O-N 3.42Å; H389-N392 PolarHBondContact O-N 3.12Å; H389-N392 VanDerWaalsContact O-N 3.16Å; N392-F394 VanDerWaalsContact C-N 3.34Å; N392-F394 PolarHBondContact O-N 2.79Å; N392-V395 PolarHBondContact O-N 3.18Å; N392-F396 WeakPolarHBondContact O-CA 3.45Å; N392-F396 WeakPolarHBondContact O-CB 3.11Å; N392-F396 PolarHBondContact O-N 3.49Å; N392-H440 WeakPolarHBondContact CB-O 3.26Å; N392-H440 PolarHBondContact OD1-O 3.23Å; N392-L441 HydrophobicContact CB-CD2 4.34Å; N392-R443 PolarHBondContact OD1-N 3.15Å; N392-S444 WeakPolarHBondContact CA-OG 3.45Å; N392-S444 PolarHBondContact O-OG 3.13Å; N392-S444 PolarHBondContact OD1-N 3.31Å; N392-S444 PolarHBondContact OD1-OG 2.77Å; N392-S444 VanDerWaalsContact OD1-OG 3.09Å
393	A	93.9	Very high	90.9	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-60.1	-44	178.9	0	0	0	0	0	111.1	H389 N397 E520	H389-A393 WeakPolarHBondContact O-CB 3.13Å; H389-A393 PolarHBondContact O-N 3.05Å; A393-N397 WeakPolarHBondContact O-CB 3.42Å; A393-N397 PolarHBondContact O-N 3.47Å; A393-N397 PolarHBondContact O-ND2 3.4Å; A393-N397 PolarHBondContact O-OD1 3.36Å; A393-E520 HydrophobicContact CB-CB 4.22Å
394	F	93.3	Very high	89.2	Confident	28 Å²	28	25.4 Å²	25.4	12%	0.123	14%	0.14	C	C	.	.	H	α-helix	trans	-63.8	-51.6	176	174.9	-96.9	0	0	0	112.8	R339 A342 R343 L346 M390 V391 N392 S398	R339-F394 HydrophobicContact CG-CD2 3.75Å; R339-F394 HydrophobicContact CG-CE2 4.18Å; R339-F394 HydrophobicContact CG-CG 4.36Å; A342-F394 HydrophobicContact CB-CD1 3.49Å; A342-F394 VanDerWaalsContact CB-CD1 3.49Å; A342-F394 HydrophobicContact CB-CE1 4.11Å; A342-F394 HydrophobicContact CB-CG 4.28Å; A342-F394 WeakPolarHBondContact O-CE1 3.34Å; R343-F394 HydrophobicContact CB-CZ 4.48Å; R343-F394 HydrophobicContact CG-CE1 4.05Å; R343-F394 HydrophobicContact CG-CE2 4.41Å; R343-F394 HydrophobicContact CG-CZ 3.61Å; L346-F394 HydrophobicContact CD1-CE1 3.8Å; L346-F394 HydrophobicContact CD1-CZ 4.1Å; M390-F394 VanDerWaalsContact O-CB 3.28Å; M390-F394 WeakPolarHBondContact O-CB 3.41Å; M390-F394 PolarHBondContact O-N 3.33Å; M390-F394 VanDerWaalsContact O-N 3.11Å; V391-F394 PolarHBondContact O-N 2.88Å; N392-F394 VanDerWaalsContact C-N 3.34Å; N392-F394 PolarHBondContact O-N 2.79Å; F394-S398 WeakPolarHBondContact CZ-OG 3.36Å; F394-S398 VanDerWaalsContact O-CB 3.3Å; F394-S398 WeakPolarHBondContact O-CB 3.37Å; F394-S398 PolarHBondContact O-N 3.41Å; F394-S398 VanDerWaalsContact O-N 3.09Å; F394-S398 PolarHBondContact O-OG 2.99Å
395	V	94.1	Very high	87.6	Confident	1 Å²	1	30.4 Å²	30.4	1%	0.006	17%	0.172	C	C	.	.	H	α-helix	trans	-64.2	-47.1	-177.8	170	0	0	0	0	110.3	L345 L346 V391 N392 S398 L399 L417	L345-V395 HydrophobicContact CB-CG2 4.3Å; L345-V395 HydrophobicContact CD1-CG2 3.7Å; L346-V395 HydrophobicContact CD2-CG1 4.25Å; V391-V395 HydrophobicContact CG1-CG2 4.23Å; V391-V395 WeakPolarHBondContact O-CB 3.47Å; V391-V395 VanDerWaalsContact O-CG2 3.32Å; V391-V395 WeakPolarHBondContact O-CG2 3.34Å; V391-V395 PolarHBondContact O-N 3Å; N392-V395 PolarHBondContact O-N 3.18Å; V395-S398 PolarHBondContact O-N 3.33Å; V395-L399 WeakPolarHBondContact O-CG 3.02Å; V395-L399 PolarHBondContact O-N 2.85Å; V395-L417 HydrophobicContact CG1-CD2 4.01Å
396	F	94.8	Very high	85.8	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-65.6	-49.4	-179.2	-168.8	-84.9	0	0	0	112.2	N392 S398 L399 V400 R443 A447 L468 Q472 I476 E520	N392-F396 WeakPolarHBondContact O-CA 3.45Å; N392-F396 WeakPolarHBondContact O-CB 3.11Å; N392-F396 PolarHBondContact O-N 3.49Å; F396-S398 PolarHBondContact O-N 3.31Å; F396-L399 WeakPolarHBondContact O-CA 3.43Å; F396-L399 WeakPolarHBondContact O-CB 3.41Å; F396-L399 PolarHBondContact O-N 2.9Å; F396-V400 HydrophobicContact CD1-CG1 4.42Å; F396-V400 HydrophobicContact CD1-CG2 3.96Å; F396-V400 HydrophobicContact CE1-CB 4.47Å; F396-V400 HydrophobicContact CE1-CG1 3.8Å; F396-V400 HydrophobicContact CE1-CG2 3.79Å; F396-V400 HydrophobicContact CZ-CG1 4.08Å; F396-V400 PolarHBondContact O-N 3.32Å; F396-R443 HydrophobicContact CD2-CB 3.97Å; F396-R443 HydrophobicContact CE2-CB 4.13Å; F396-A447 HydrophobicContact CD2-CB 4.06Å; F396-A447 HydrophobicContact CE2-CB 3.9Å; F396-L468 HydrophobicContact CE2-CD2 3.6Å; F396-L468 HydrophobicContact CZ-CD2 4.05Å; F396-Q472 HydrophobicContact CE1-CG 3.83Å; F396-Q472 VanDerWaalsContact CE1-NE2 3.29Å; F396-Q472 HydrophobicContact CZ-CB 3.99Å; F396-Q472 VanDerWaalsContact CZ-CD 3.41Å; F396-Q472 HydrophobicContact CZ-CG 3.68Å; F396-I476 HydrophobicContact CE2-CD1 4.34Å; F396-I476 HydrophobicContact CZ-CD1 4.32Å; F396-E520 HydrophobicContact CB-CG 4.16Å; F396-E520 HydrophobicContact CD1-CG 3.63Å; F396-E520 HydrophobicContact CE1-CG 4.3Å; F396-E520 HydrophobicContact CG-CG 4Å
397	N	93.6	Very high	84.5	Confident	22 Å²	22	33.6 Å²	33.6	12%	0.118	20%	0.202	C	C	.	.	H	α-helix	trans	-63.9	-29.5	-179.6	-65	-1.8	0	0	0	111.2	A393 L399 V400 S401 E519 E520	A393-N397 WeakPolarHBondContact O-CB 3.42Å; A393-N397 PolarHBondContact O-N 3.47Å; A393-N397 PolarHBondContact O-ND2 3.4Å; A393-N397 PolarHBondContact O-OD1 3.36Å; N397-L399 VanDerWaalsContact C-N 3.27Å; N397-L399 PolarHBondContact O-N 2.91Å; N397-V400 PolarHBondContact O-N 2.92Å; N397-S401 VanDerWaalsContact O-CB 3.26Å; N397-S401 WeakPolarHBondContact O-CB 3.21Å; N397-S401 PolarHBondContact O-N 3.42Å; N397-E519 HydrophobicContact CB-CG 4.4Å; N397-E520 PolarHBondContact ND2-O 3.21Å; N397-E520 WeakPolarHBondContact OD1-CB 3.43Å; N397-E520 PolarHBondContact OD1-N 3.08Å
398	S	92	Very high	83.9	Confident	18 Å²	18	39.6 Å²	39.6	13%	0.126	23%	0.23	C	C	.	.	H	α-helix	trans	-68.9	-20.5	172.6	-58.3	0	0	0	0	114.3	L346 F394 V395 F396	L346-S398 VanDerWaalsContact CD1-CB 3.41Å; F394-S398 WeakPolarHBondContact CZ-OG 3.36Å; F394-S398 VanDerWaalsContact O-CB 3.3Å; F394-S398 WeakPolarHBondContact O-CB 3.37Å; F394-S398 PolarHBondContact O-N 3.41Å; F394-S398 VanDerWaalsContact O-N 3.09Å; F394-S398 PolarHBondContact O-OG 2.99Å; V395-S398 PolarHBondContact O-N 3.33Å; F396-S398 PolarHBondContact O-N 3.31Å
399	L	91.8	Very high	83.7	Confident	7 Å²	7	40.3 Å²	40.3	4%	0.037	23%	0.234	C	C	.	.	H	α-helix	trans	-89.1	-18.4	173.9	-63.5	171.5	0	0	0	113.2	L346 V395 F396 N397 L409 L413 L417 A447 L451	L346-L399 HydrophobicContact CD2-CD2 4.08Å; L346-L399 HydrophobicContact CD2-CG 4.39Å; V395-L399 WeakPolarHBondContact O-CG 3.02Å; V395-L399 PolarHBondContact O-N 2.85Å; F396-L399 WeakPolarHBondContact O-CA 3.43Å; F396-L399 WeakPolarHBondContact O-CB 3.41Å; F396-L399 PolarHBondContact O-N 2.9Å; N397-L399 VanDerWaalsContact C-N 3.27Å; N397-L399 PolarHBondContact O-N 2.91Å; L399-L409 HydrophobicContact CB-CD2 4.26Å; L399-L409 HydrophobicContact CD2-CD2 3.67Å; L399-L413 HydrophobicContact CD2-CD2 3.7Å; L399-L413 HydrophobicContact CD2-CG 4.49Å; L399-L417 HydrophobicContact CD1-CD1 3.97Å; L399-L417 HydrophobicContact CD2-CD1 4.1Å; L399-A447 HydrophobicContact CD1-CB 3.95Å; L399-L451 HydrophobicContact CD2-CD1 4.26Å
400	V	90.9	Very high	83.5	Confident	0 Å²	0	40 Å²	40	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-119.2	8.2	-179	-56.6	0	0	0	0	114.2	F396 N397 V402 I476 L518 E519	F396-V400 HydrophobicContact CD1-CG1 4.42Å; F396-V400 HydrophobicContact CD1-CG2 3.96Å; F396-V400 HydrophobicContact CE1-CB 4.47Å; F396-V400 HydrophobicContact CE1-CG1 3.8Å; F396-V400 HydrophobicContact CE1-CG2 3.79Å; F396-V400 HydrophobicContact CZ-CG1 4.08Å; F396-V400 PolarHBondContact O-N 3.32Å; N397-V400 PolarHBondContact O-N 2.92Å; V400-V402 PolarHBondContact O-N 2.9Å; V400-I476 HydrophobicContact CG1-CD1 4.02Å; V400-I476 HydrophobicContact CG1-CG1 3.83Å; V400-L518 HydrophobicContact CB-CD1 3.93Å; V400-L518 HydrophobicContact CB-CG 3.99Å; V400-L518 HydrophobicContact CG1-CD1 4.35Å; V400-L518 HydrophobicContact CG2-CD1 4.42Å; V400-L518 HydrophobicContact CG2-CG 4.1Å; V400-L518 WeakPolarHBondContact O-CD2 3.09Å; V400-E519 HydrophobicContact CG2-CG 4.15Å
401	S	83.8	Confident	83.4	Confident	28 Å²	28	39.6 Å²	39.6	20%	0.196	23%	0.231	C	C	.	.			trans	-76.3	112.4	-179.2	-164.7	0	0	0	0	111.5	N397 N403	N397-S401 VanDerWaalsContact O-CB 3.26Å; N397-S401 WeakPolarHBondContact O-CB 3.21Å; N397-S401 PolarHBondContact O-N 3.42Å; S401-N403 PolarHBondContact O-N 2.94Å
402	V	70.9	Confident	83.2	Confident	99 Å²	99	45.2 Å²	45.2	60%	0.6	25%	0.251	S	S	*	.	S	Bend	trans	-64.3	-23.6	176.7	-164.3	0	0	0	0	112.6	V400 L518	V400-V402 PolarHBondContact O-N 2.9Å; V402-L518 HydrophobicContact CG2-CD2 3.81Å
403	N	58.1	Low	83.1	Confident	134 Å²	134	45 Å²	45	72%	0.717	25%	0.25	S	S	*	.	S	Bend	trans	-97	-28.8	-167.2	-64.1	-63.7	0	0	0	114.3	S401	S401-N403 PolarHBondContact O-N 2.94Å
404	L	57.7	Low	83.1	Confident	136 Å²	136	45 Å²	45	71%	0.712	25%	0.25	S	S	*	.			trans	-147.2	94.9	170.8	-75.4	100.3	0	0	0	108.9	A406	L404-A406 PolarHBondContact O-N 3.4Å; L404-A406 VanDerWaalsContact O-N 3.11Å
405	P	60.8	Low	83.1	Confident	105 Å²	105	48.6 Å²	48.6	68%	0.682	27%	0.266	S	S	*	.			trans	-64.2	113.1	171.2	26.2	-32.9	0	0	0	109	A407	P405-A407 VanDerWaalsContact C-N 3.3Å; P405-A407 PolarHBondContact O-N 3.34Å
406	A	57	Low	83.2	Confident	62 Å²	62	49.5 Å²	49.5	51%	0.512	27%	0.272	S	S	.	.	S	Bend	trans	-75.5	-20.3	-174.2	0	0	0	0	0	113.3	L346 L404	L346-A406 HydrophobicContact CD1-CB 4.31Å; L404-A406 PolarHBondContact O-N 3.4Å; L404-A406 VanDerWaalsContact O-N 3.11Å
407	A	67.1	Low	83.3	Confident	26 Å²	26	49.5 Å²	49.5	22%	0.215	27%	0.272	C	S	.	.	S	Bend	trans	-153	157.5	175.4	0	0	0	0	0	109.6	P405 L413	P405-A407 VanDerWaalsContact C-N 3.3Å; P405-A407 PolarHBondContact O-N 3.34Å; A407-L413 HydrophobicContact CB-CD1 4.34Å; A407-L413 HydrophobicContact CB-CD2 3.7Å
408	Q	84.1	Confident	83.4	Confident	127 Å²	127	51.6 Å²	51.6	59%	0.593	28%	0.281	S	S	*	.			trans	-71.1	133.7	170.7	-65.9	178.9	-91.5	0	0	109.8	N410 L413 E481	Q408-N410 VanDerWaalsContact C-N 3.32Å; Q408-N410 PolarHBondContact O-N 3.37Å; Q408-L413 VanDerWaalsContact O-CD2 3.31Å; Q408-L413 WeakPolarHBondContact O-CD2 3.02Å; Q408-E481 WeakPolarHBondContact CB-OE2 3.06Å; Q408-E481 WeakPolarHBondContact CG-OE2 3.46Å; Q408-E481 PolarHBondContact NE2-OE2 3.4Å
409	L	90.8	Very high	83.6	Confident	16 Å²	16	58.2 Å²	58.2	8%	0.084	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-82.3	74.2	-175.8	-62.8	-176.9	0	0	0	111.1	L399 L413 L451 G479 F480 E481	L399-L409 HydrophobicContact CB-CD2 4.26Å; L399-L409 HydrophobicContact CD2-CD2 3.67Å; L409-L413 HydrophobicContact CD2-CD2 4.27Å; L409-L451 HydrophobicContact CB-CD2 3.94Å; L409-L451 HydrophobicContact CD2-CD1 4.34Å; L409-L451 HydrophobicContact CD2-CD2 4.49Å; L409-G479 WeakPolarHBondContact CB-O 3.45Å; L409-F480 WeakPolarHBondContact O-CA 3.24Å; L409-F480 WeakPolarHBondContact O-CD2 3.35Å; L409-E481 PolarHBondContact O-N 3.11Å
410	N	91.7	Very high	83.8	Confident	11 Å²	11	57.9 Å²	57.9	6%	0.059	30%	0.303	C	S	.	.			trans	-110.6	169.2	177.7	68.3	5.1	0	0	0	113.2	Q408 R412 L413 G414 E481 D483	Q408-N410 VanDerWaalsContact C-N 3.32Å; Q408-N410 PolarHBondContact O-N 3.37Å; N410-R412 PolarHBondContact O-N 3.15Å; N410-L413 PolarHBondContact O-N 3.44Å; N410-L413 WeakPolarHBondContact OD1-CB 3.47Å; N410-L413 PolarHBondContact OD1-N 3.35Å; N410-G414 PolarHBondContact O-N 3.34Å; N410-G414 VanDerWaalsContact O-N 3.15Å; N410-E481 WeakPolarHBondContact CA-O 3.28Å; N410-E481 WeakPolarHBondContact CB-O 3.38Å; N410-D483 PolarHBondContact ND2-OD1 3.46Å; N410-D483 PolarHBondContact ND2-OD2 2.89Å
411	T	92.6	Very high	84.1	Confident	4 Å²	4	58.3 Å²	58.3	3%	0.025	31%	0.305	C	S	.	.	H	α-helix	trans	-66.1	-26.8	179.5	-76.5	0	0	0	0	112.2	G414 K415 L451 K455 F480 E486	T411-G414 PolarHBondContact O-N 3.46Å; T411-K415 HydrophobicContact CG2-CD 3.92Å; T411-K415 HydrophobicContact CG2-CG 4.45Å; T411-K415 WeakPolarHBondContact O-CG 3.41Å; T411-K415 PolarHBondContact O-N 3.48Å; T411-L451 PolarHBondContact OG1-O 2.96Å; T411-K455 PolarHBondContact OG1-NZ 2.83Å; T411-F480 WeakPolarHBondContact OG1-CZ 3.21Å; T411-E486 WeakPolarHBondContact CB-OE1 3.25Å; T411-E486 WeakPolarHBondContact CB-OE2 3.47Å; T411-E486 WeakPolarHBondContact CG2-OE1 3.28Å; T411-E486 PolarHBondContact OG1-OE1 3.41Å; T411-E486 PolarHBondContact OG1-OE2 3.09Å
412	R	91.9	Very high	84.7	Confident	121 Å²	121	60.1 Å²	60.1	46%	0.457	31%	0.31	S	S	.	.	H	α-helix	trans	-60.9	-50.4	171	178.1	177.1	174.6	156.4	-1.4	111.7	I348 N410 G414 K415 C416	I348-R412 PolarHBondContact O-NE 3.43Å; I348-R412 PolarHBondContact O-NH2 2.9Å; N410-R412 PolarHBondContact O-N 3.15Å; R412-G414 VanDerWaalsContact C-N 3.32Å; R412-G414 PolarHBondContact O-N 3.08Å; R412-K415 PolarHBondContact O-N 2.86Å; R412-C416 PolarHBondContact O-N 3.3Å
413	L	93.4	Very high	85.9	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-58.1	-45.2	175.8	176.6	62.8	0	0	0	111.2	L346 I348 L399 A407 Q408 L409 N410 K415 C416 L417	L346-L413 WeakPolarHBondContact O-CD1 3.39Å; I348-L413 HydrophobicContact CG2-CB 3.94Å; I348-L413 HydrophobicContact CG2-CD1 3.86Å; I348-L413 HydrophobicContact CG2-CG 4.49Å; L399-L413 HydrophobicContact CD2-CD2 3.7Å; L399-L413 HydrophobicContact CD2-CG 4.49Å; A407-L413 HydrophobicContact CB-CD1 4.34Å; A407-L413 HydrophobicContact CB-CD2 3.7Å; Q408-L413 VanDerWaalsContact O-CD2 3.31Å; Q408-L413 WeakPolarHBondContact O-CD2 3.02Å; L409-L413 HydrophobicContact CD2-CD2 4.27Å; N410-L413 PolarHBondContact O-N 3.44Å; N410-L413 WeakPolarHBondContact OD1-CB 3.47Å; N410-L413 PolarHBondContact OD1-N 3.35Å; L413-K415 PolarHBondContact O-N 3.26Å; L413-C416 PolarHBondContact O-N 3.35Å; L413-L417 HydrophobicContact CD1-CD1 3.93Å; L413-L417 HydrophobicContact CD1-CG 4.09Å; L413-L417 HydrophobicContact CG-CD1 3.97Å; L413-L417 WeakPolarHBondContact O-CB 3.38Å; L413-L417 WeakPolarHBondContact O-CG 3.48Å; L413-L417 PolarHBondContact O-N 2.97Å
414	G	94.6	Very high	87.8	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-54.5	-49.5	175.4	0	0	0	0	0	112.9	N410 T411 R412 L417 Q418	N410-G414 PolarHBondContact O-N 3.34Å; N410-G414 VanDerWaalsContact O-N 3.15Å; T411-G414 PolarHBondContact O-N 3.46Å; R412-G414 VanDerWaalsContact C-N 3.32Å; R412-G414 PolarHBondContact O-N 3.08Å; G414-L417 PolarHBondContact O-N 3.05Å; G414-Q418 WeakPolarHBondContact O-CG 3.37Å; G414-Q418 PolarHBondContact O-N 3.14Å
415	K	94.1	Very high	89.6	Confident	103 Å²	103	45.4 Å²	45.4	45%	0.448	23%	0.232	S	C	.	.	H	α-helix	trans	-65.1	-42.9	179	-72.8	166.2	-179.1	164	0	112.7	T411 R412 L413 Q418 Y419 A452	T411-K415 HydrophobicContact CG2-CD 3.92Å; T411-K415 HydrophobicContact CG2-CG 4.45Å; T411-K415 WeakPolarHBondContact O-CG 3.41Å; T411-K415 PolarHBondContact O-N 3.48Å; R412-K415 PolarHBondContact O-N 2.86Å; L413-K415 PolarHBondContact O-N 3.26Å; K415-Q418 WeakPolarHBondContact O-CB 3.5Å; K415-Q418 PolarHBondContact O-N 3.4Å; K415-Y419 WeakPolarHBondContact O-CD2 3.3Å; K415-Y419 PolarHBondContact O-N 2.95Å; K415-A452 HydrophobicContact CG-CB 4Å
416	C	95.4	Very high	91.2	Very high	21 Å²	21	46.8 Å²	46.8	14%	0.142	22%	0.224	C	C	.	.	H	α-helix	trans	-59.4	-48.2	173.9	-76.3	0	0	0	0	111.2	R412 L413 Q418 Y419 R420	R412-C416 PolarHBondContact O-N 3.3Å; L413-C416 PolarHBondContact O-N 3.35Å; C416-Q418 VanDerWaalsContact C-N 3.34Å; C416-Q418 PolarHBondContact O-N 2.94Å; C416-Y419 PolarHBondContact O-N 3.49Å; C416-R420 WeakPolarHBondContact O-CB 3.4Å; C416-R420 WeakPolarHBondContact O-CD 3.49Å; C416-R420 WeakPolarHBondContact O-CG 3.47Å; C416-R420 PolarHBondContact O-N 3.24Å
417	L	96.6	Very high	93	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-62.8	-36.7	177.9	-74.2	172.6	0	0	0	112.8	L345 L346 V395 L399 L413 G414 R420 I421 A448	L345-L417 HydrophobicContact CB-CD2 4.4Å; L345-L417 VanDerWaalsContact O-CD2 3.3Å; L345-L417 WeakPolarHBondContact O-CD2 3.43Å; L346-L417 HydrophobicContact CD2-CD1 4.36Å; L346-L417 HydrophobicContact CD2-CD2 4.34Å; V395-L417 HydrophobicContact CG1-CD2 4.01Å; L399-L417 HydrophobicContact CD1-CD1 3.97Å; L399-L417 HydrophobicContact CD2-CD1 4.1Å; L413-L417 HydrophobicContact CD1-CD1 3.93Å; L413-L417 HydrophobicContact CD1-CG 4.09Å; L413-L417 HydrophobicContact CG-CD1 3.97Å; L413-L417 WeakPolarHBondContact O-CB 3.38Å; L413-L417 WeakPolarHBondContact O-CG 3.48Å; L413-L417 PolarHBondContact O-N 2.97Å; G414-L417 PolarHBondContact O-N 3.05Å; L417-R420 PolarHBondContact O-N 3.31Å; L417-I421 HydrophobicContact CB-CD1 4.35Å; L417-I421 VanDerWaalsContact O-CB 3.27Å; L417-I421 WeakPolarHBondContact O-CB 3.45Å; L417-I421 VanDerWaalsContact O-CG1 3.23Å; L417-I421 WeakPolarHBondContact O-CG1 3.41Å; L417-I421 PolarHBondContact O-N 3.01Å; L417-A448 HydrophobicContact CB-CB 3.59Å
418	Q	95.6	Very high	94.4	Very high	65 Å²	65	43.5 Å²	43.5	30%	0.304	19%	0.193	S	C	.	.	H	α-helix	trans	-55.9	-54.4	172.7	-76.5	177.8	-42.6	0	0	111.6	G414 K415 C416 R420 E422 A448 N449 A452	G414-Q418 WeakPolarHBondContact O-CG 3.37Å; G414-Q418 PolarHBondContact O-N 3.14Å; K415-Q418 WeakPolarHBondContact O-CB 3.5Å; K415-Q418 PolarHBondContact O-N 3.4Å; C416-Q418 VanDerWaalsContact C-N 3.34Å; C416-Q418 PolarHBondContact O-N 2.94Å; Q418-R420 PolarHBondContact O-N 3.29Å; Q418-E422 WeakPolarHBondContact O-CB 3.33Å; Q418-E422 PolarHBondContact O-N 2.79Å; Q418-E422 VanDerWaalsContact O-N 3.09Å; Q418-A448 HydrophobicContact CG-CB 4.11Å; Q418-N449 PolarHBondContact NE2-OD1 2.77Å; Q418-A452 VanDerWaalsContact CD-CB 3.49Å; Q418-A452 HydrophobicContact CG-CB 4.4Å; Q418-A452 VanDerWaalsContact OE1-CB 3.24Å
419	Y	95.9	Very high	94.7	Very high	157 Å²	157	41.8 Å²	41.8	62%	0.616	19%	0.185	S	C	*	.	H	α-helix	trans	-65.1	-37.6	-179.8	-69.7	-63.4	0	0	0	112.9	K415 C416 S423	K415-Y419 WeakPolarHBondContact O-CD2 3.3Å; K415-Y419 PolarHBondContact O-N 2.95Å; C416-Y419 PolarHBondContact O-N 3.49Å; Y419-S423 WeakPolarHBondContact O-CB 3.29Å; Y419-S423 PolarHBondContact O-N 3.24Å
420	R	97.4	Very high	94.8	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-71.2	-44.7	-178.2	-67.7	165.9	-170.1	-161.4	-6.5	112.6	A344 L345 D347 L350 D352 A355 T356 C416 L417 Q418 E422 S423 I424	A344-R420 PolarHBondContact O-NH1 3.09Å; L345-R420 HydrophobicContact CD2-CB 4.1Å; L345-R420 WeakPolarHBondContact O-CD 3.47Å; L345-R420 PolarHBondContact O-NH1 3.46Å; D347-R420 VanDerWaalsContact O-CZ 3.3Å; D347-R420 PolarHBondContact O-NH1 2.96Å; D347-R420 PolarHBondContact O-NH2 3.29Å; L350-R420 PolarHBondContact O-NH2 3.22Å; D352-R420 HydrophobicContact CB-CG 3.99Å; D352-R420 IonicContact OD1-CZ 3.38Å; D352-R420 IonicContact OD1-NE 3.23Å; D352-R420 PolarHBondContact OD1-NE 2.91Å; D352-R420 IonicContact OD1-NH2 3.86Å; D352-R420 PolarHBondContact OD1-NH2 2.61Å; A355-R420 HydrophobicContact CB-CG 4.42Å; A355-R420 VanDerWaalsContact CB-CZ 3.44Å; T356-R420 HydrophobicContact CG2-CB 3.6Å; T356-R420 HydrophobicContact CG2-CG 3.88Å; T356-R420 WeakPolarHBondContact CG2-O 3.31Å; C416-R420 WeakPolarHBondContact O-CB 3.4Å; C416-R420 WeakPolarHBondContact O-CD 3.49Å; C416-R420 WeakPolarHBondContact O-CG 3.47Å; C416-R420 PolarHBondContact O-N 3.24Å; L417-R420 PolarHBondContact O-N 3.31Å; Q418-R420 PolarHBondContact O-N 3.29Å; R420-E422 VanDerWaalsContact C-N 3.33Å; R420-S423 WeakPolarHBondContact O-CB 3.47Å; R420-S423 PolarHBondContact O-N 2.76Å; R420-I424 WeakPolarHBondContact O-CG1 3.47Å; R420-I424 PolarHBondContact O-N 3.38Å; R420-I424 VanDerWaalsContact O-N 3.15Å
421	I	97.3	Very high	94.4	Very high	9 Å²	9	51 Å²	51	5%	0.046	22%	0.219	C	C	.	.	H	α-helix	trans	-65.3	-39.6	175.9	-68	168.1	0	0	0	110.4	L417 I424 H425 L441 R445 A448	L417-I421 HydrophobicContact CB-CD1 4.35Å; L417-I421 VanDerWaalsContact O-CB 3.27Å; L417-I421 WeakPolarHBondContact O-CB 3.45Å; L417-I421 VanDerWaalsContact O-CG1 3.23Å; L417-I421 WeakPolarHBondContact O-CG1 3.41Å; L417-I421 PolarHBondContact O-N 3.01Å; I421-I424 PolarHBondContact O-N 2.97Å; I421-H425 PolarHBondContact O-N 2.89Å; I421-L441 HydrophobicContact CG2-CB 4.13Å; I421-L441 HydrophobicContact CG2-CD1 4.22Å; I421-R445 HydrophobicContact CG2-CB 4.29Å; I421-A448 HydrophobicContact CD1-CB 4.36Å
422	E	95.8	Very high	94.1	Very high	66 Å²	66	53.2 Å²	53.2	31%	0.308	24%	0.243	S	C	.	.	H	α-helix	trans	-65.7	-36.2	174.8	178	65.9	-176.9	0	0	112.6	Q418 R420 H425 R426	Q418-E422 WeakPolarHBondContact O-CB 3.33Å; Q418-E422 PolarHBondContact O-N 2.79Å; Q418-E422 VanDerWaalsContact O-N 3.09Å; R420-E422 VanDerWaalsContact C-N 3.33Å; E422-H425 WeakPolarHBondContact O-CB 3.45Å; E422-H425 PolarHBondContact O-N 2.89Å; E422-R426 VanDerWaalsContact CG-CZ 3.41Å; E422-R426 WeakPolarHBondContact O-CG 3.26Å; E422-R426 PolarHBondContact O-N 3.03Å; E422-R426 IonicContact OE1-CZ 3.39Å; E422-R426 IonicContact OE1-NE 3.16Å; E422-R426 PolarHBondContact OE1-NE 2.9Å; E422-R426 IonicContact OE1-NH2 2.7Å; E422-R426 PolarHBondContact OE1-NH2 3.13Å
423	S	96.8	Very high	93.9	Very high	42 Å²	42	48.2 Å²	48.2	29%	0.294	23%	0.226	S	C	.	.	H	α-helix	trans	-60.5	-45.1	172.2	-173.2	0	0	0	0	111.7	Y419 R420 H425 R426 F427	Y419-S423 WeakPolarHBondContact O-CB 3.29Å; Y419-S423 PolarHBondContact O-N 3.24Å; R420-S423 WeakPolarHBondContact O-CB 3.47Å; R420-S423 PolarHBondContact O-N 2.76Å; S423-H425 VanDerWaalsContact C-N 3.34Å; S423-H425 PolarHBondContact O-N 3.11Å; S423-R426 PolarHBondContact O-N 3.41Å; S423-F427 PolarHBondContact O-N 2.6Å
424	I	97.3	Very high	93.7	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-64.4	-38.5	174.8	-62.8	165.4	0	0	0	110.9	L345 T356 V359 I360 L363 L388 R420 I421 F427 C428 L441	L345-I424 HydrophobicContact CD1-CD1 4.14Å; L345-I424 HydrophobicContact CD2-CD1 3.91Å; T356-I424 HydrophobicContact CG2-CD1 4.48Å; T356-I424 HydrophobicContact CG2-CG1 4.33Å; V359-I424 HydrophobicContact CG1-CD1 4.01Å; V359-I424 HydrophobicContact CG1-CG1 4.5Å; I360-I424 HydrophobicContact CD1-CG1 4.44Å; I360-I424 HydrophobicContact CG1-CG1 4.17Å; L363-I424 HydrophobicContact CD1-CG2 4.11Å; L388-I424 HydrophobicContact CD2-CG2 4.04Å; R420-I424 WeakPolarHBondContact O-CG1 3.47Å; R420-I424 PolarHBondContact O-N 3.38Å; R420-I424 VanDerWaalsContact O-N 3.15Å; I421-I424 PolarHBondContact O-N 2.97Å; I424-F427 WeakPolarHBondContact O-CB 3.38Å; I424-F427 PolarHBondContact O-N 3.27Å; I424-C428 PolarHBondContact O-N 3.04Å; I424-C428 PolarHBondContact O-SG 2.88Å; I424-L441 HydrophobicContact CB-CD1 4.35Å; I424-L441 HydrophobicContact CG2-CD1 3.86Å
425	H	95.5	Very high	93.4	Very high	19 Å²	19	53.5 Å²	53.5	9%	0.088	25%	0.251	C	S	.	.	H	α-helix	trans	-60.6	-49.9	175.2	-166.5	-92.5	0	0	0	111.9	I421 E422 S423 F427 C428 E429	I421-H425 PolarHBondContact O-N 2.89Å; E422-H425 WeakPolarHBondContact O-CB 3.45Å; E422-H425 PolarHBondContact O-N 2.89Å; S423-H425 VanDerWaalsContact C-N 3.34Å; S423-H425 PolarHBondContact O-N 3.11Å; H425-F427 PolarHBondContact O-N 3.31Å; H425-C428 CarbonylContact O-C 3.59Å; H425-C428 WeakPolarHBondContact O-CA 3.46Å; H425-C428 WeakPolarHBondContact O-CB 3.17Å; H425-C428 PolarHBondContact O-N 3.5Å; H425-E429 IonicContact CE1-OE1 2.8Å; H425-E429 PolarHBondContact CE1-OE1 3.3Å; H425-E429 IonicContact ND1-OE1 2.77Å; H425-E429 PolarHBondContact ND1-OE1 3.16Å; H425-E429 WeakPolarHBondContact O-CG 3.3Å; H425-E429 PolarHBondContact O-N 2.95Å
426	R	95.1	Very high	93.1	Very high	134 Å²	134	48.8 Å²	48.8	51%	0.506	23%	0.231	S	C	.	.	H	α-helix	trans	-67	-22.4	177.6	-66.7	173	-168.8	164.2	3.5	113.9	E422 S423 E429 R430	E422-R426 VanDerWaalsContact CG-CZ 3.41Å; E422-R426 WeakPolarHBondContact O-CG 3.26Å; E422-R426 PolarHBondContact O-N 3.03Å; E422-R426 IonicContact OE1-CZ 3.39Å; E422-R426 IonicContact OE1-NE 3.16Å; E422-R426 PolarHBondContact OE1-NE 2.9Å; E422-R426 IonicContact OE1-NH2 2.7Å; E422-R426 PolarHBondContact OE1-NH2 3.13Å; S423-R426 PolarHBondContact O-N 3.41Å; R426-E429 WeakPolarHBondContact CA-OE2 3.39Å; R426-R430 WeakPolarHBondContact O-CG 3.43Å; R426-R430 PolarHBondContact O-N 3.21Å; R426-R430 PolarHBondContact O-NE 3.44Å; R426-R430 VanDerWaalsContact O-NE 3.14Å
427	F	95.1	Very high	93	Very high	17 Å²	17	47.8 Å²	47.8	8%	0.075	22%	0.224	C	C	.	.	H	α-helix	trans	-69.8	-45.8	165.6	175.1	-95.8	0	0	0	111.2	I360 L363 D364 S423 I424 H425 E429 R430 M431	I360-F427 HydrophobicContact CD1-CB 4.44Å; I360-F427 HydrophobicContact CG1-CB 4.36Å; I360-F427 HydrophobicContact CG1-CG 4.45Å; I360-F427 HydrophobicContact CG2-CB 4.43Å; I360-F427 HydrophobicContact CG2-CD1 4.47Å; I360-F427 HydrophobicContact CG2-CD2 3.61Å; I360-F427 HydrophobicContact CG2-CE2 4Å; I360-F427 HydrophobicContact CG2-CG 3.88Å; L363-F427 HydrophobicContact CB-CD1 4.29Å; L363-F427 HydrophobicContact CB-CE1 3.65Å; L363-F427 HydrophobicContact CB-CZ 4.44Å; L363-F427 HydrophobicContact CD1-CD1 4.4Å; D364-F427 HydrophobicContact CB-CE2 3.98Å; D364-F427 HydrophobicContact CB-CZ 3.63Å; S423-F427 PolarHBondContact O-N 2.6Å; I424-F427 WeakPolarHBondContact O-CB 3.38Å; I424-F427 PolarHBondContact O-N 3.27Å; H425-F427 PolarHBondContact O-N 3.31Å; F427-E429 PolarHBondContact O-N 2.78Å; F427-R430 PolarHBondContact O-N 3.11Å; F427-M431 HydrophobicContact CD1-CG 4.46Å; F427-M431 HydrophobicContact CE1-CE 4.49Å; F427-M431 HydrophobicContact CE1-CG 3.89Å; F427-M431 HydrophobicContact CE2-CG 4.1Å; F427-M431 HydrophobicContact CZ-CE 3.92Å; F427-M431 HydrophobicContact CZ-CG 3.69Å; F427-M431 HydrophobicContact CZ-SD 4.19Å; F427-M431 VanDerWaalsContact O-CG 3.29Å; F427-M431 WeakPolarHBondContact O-CG 3.5Å; F427-M431 PolarHBondContact O-N 3.4Å
428	C	94.6	Very high	92.6	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.007	24%	0.238	C	C	.	.	H	α-helix	trans	-64.9	-36.3	178.1	-65.5	0	0	0	0	113.3	I424 H425 M431 G432 V433 A437	I424-C428 PolarHBondContact O-N 3.04Å; I424-C428 PolarHBondContact O-SG 2.88Å; H425-C428 CarbonylContact O-C 3.59Å; H425-C428 WeakPolarHBondContact O-CA 3.46Å; H425-C428 WeakPolarHBondContact O-CB 3.17Å; H425-C428 PolarHBondContact O-N 3.5Å; C428-M431 CarbonylContact O-C 3.57Å; C428-M431 WeakPolarHBondContact O-CA 3.39Å; C428-M431 PolarHBondContact O-N 2.82Å; C428-M431 VanDerWaalsContact O-N 3.1Å; C428-G432 PolarHBondContact O-N 2.8Å; C428-G432 VanDerWaalsContact O-N 3.14Å; C428-V433 HydrophobicContact CB-CG2 3.91Å; C428-V433 WeakPolarHBondContact O-CG2 3.3Å; C428-V433 PolarHBondContact O-N 3.18Å; C428-A437 HydrophobicContact CB-CB 3.58Å
429	E	91.9	Very high	92.4	Very high	92 Å²	92	47.9 Å²	47.9	43%	0.43	23%	0.226	S	C	.	.	H	α-helix	trans	-57.9	-50.8	171.6	-72.7	171.2	165.5	0	0	112.2	H425 R426 F427 M431 G432 E434	H425-E429 IonicContact CE1-OE1 2.8Å; H425-E429 PolarHBondContact CE1-OE1 3.3Å; H425-E429 IonicContact ND1-OE1 2.77Å; H425-E429 PolarHBondContact ND1-OE1 3.16Å; H425-E429 WeakPolarHBondContact O-CG 3.3Å; H425-E429 PolarHBondContact O-N 2.95Å; R426-E429 WeakPolarHBondContact CA-OE2 3.39Å; F427-E429 PolarHBondContact O-N 2.78Å; E429-M431 PolarHBondContact O-N 3.49Å; E429-G432 PolarHBondContact O-N 2.96Å; E429-G432 VanDerWaalsContact O-N 3.08Å; E429-E434 HydrophobicContact CB-CB 4.39Å; E429-E434 HydrophobicContact CG-CB 3.68Å
430	R	91.5	Very high	92.2	Very high	196 Å²	196	40.8 Å²	40.8	74%	0.74	20%	0.198	S	C	*	.	H	α-helix	trans	-63.1	-13.2	175.7	-70.6	-178.1	-67.4	159.2	-0.1	113.6	R426 F427	R426-R430 WeakPolarHBondContact O-CG 3.43Å; R426-R430 PolarHBondContact O-N 3.21Å; R426-R430 PolarHBondContact O-NE 3.44Å; R426-R430 VanDerWaalsContact O-NE 3.14Å; F427-R430 PolarHBondContact O-N 3.11Å
431	M	84.8	Confident	92.1	Very high	24 Å²	24	40.9 Å²	40.9	12%	0.118	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-2.2	179	-67.6	-70.7	-89.7	0	0	113.6	M367 R371 F427 C428 E429 V433	M367-M431 HydrophobicContact CB-CE 3.48Å; M367-M431 VanDerWaalsContact CB-CE 3.48Å; M367-M431 HydrophobicContact CG-CE 4.24Å; R371-M431 VanDerWaalsContact NH1-CE 3.31Å; R371-M431 PolarHBondContact NH1-SD 2.74Å; R371-M431 PolarHBondContact NH2-O 2.96Å; R371-M431 PolarHBondContact NH2-SD 3.29Å; R371-M431 VanDerWaalsContact NH2-SD 3.38Å; F427-M431 HydrophobicContact CD1-CG 4.46Å; F427-M431 HydrophobicContact CE1-CE 4.49Å; F427-M431 HydrophobicContact CE1-CG 3.89Å; F427-M431 HydrophobicContact CE2-CG 4.1Å; F427-M431 HydrophobicContact CZ-CE 3.92Å; F427-M431 HydrophobicContact CZ-CG 3.69Å; F427-M431 HydrophobicContact CZ-SD 4.19Å; F427-M431 VanDerWaalsContact O-CG 3.29Å; F427-M431 WeakPolarHBondContact O-CG 3.5Å; F427-M431 PolarHBondContact O-N 3.4Å; C428-M431 CarbonylContact O-C 3.57Å; C428-M431 WeakPolarHBondContact O-CA 3.39Å; C428-M431 PolarHBondContact O-N 2.82Å; C428-M431 VanDerWaalsContact O-N 3.1Å; E429-M431 PolarHBondContact O-N 3.49Å; M431-V433 HydrophobicContact CB-CG2 3.96Å
432	G	86.5	Confident	91.9	Very high	51 Å²	51	40.7 Å²	40.7	53%	0.526	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.9	30.6	-179	0	0	0	0	0	114.1	C428 E429	C428-G432 PolarHBondContact O-N 2.8Å; C428-G432 VanDerWaalsContact O-N 3.14Å; E429-G432 PolarHBondContact O-N 2.96Å; E429-G432 VanDerWaalsContact O-N 3.08Å
433	V	86.5	Confident	91.7	Very high	15 Å²	15	39.5 Å²	39.5	9%	0.091	19%	0.19	C	C	.	.			trans	-130.4	26.9	-179.3	-65.9	0	0	0	0	111.8	I381 C428 M431 M435 A436 A437	I381-V433 HydrophobicContact CG1-CG1 4.3Å; C428-V433 HydrophobicContact CB-CG2 3.91Å; C428-V433 WeakPolarHBondContact O-CG2 3.3Å; C428-V433 PolarHBondContact O-N 3.18Å; M431-V433 HydrophobicContact CB-CG2 3.96Å; V433-M435 VanDerWaalsContact C-N 3.31Å; V433-M435 PolarHBondContact O-N 2.93Å; V433-A436 WeakPolarHBondContact O-CB 3.32Å; V433-A436 PolarHBondContact O-N 2.91Å; V433-A436 VanDerWaalsContact O-N 3.11Å; V433-A437 PolarHBondContact O-N 2.78Å
434	E	90.3	Very high	91.6	Very high	53 Å²	53	37.6 Å²	37.6	25%	0.248	18%	0.177	C	C	.	.	H	α-helix	trans	-55.9	-42.1	-177.3	69.4	-74.7	-178	0	0	112.7	E429 A436 A437 E438	E429-E434 HydrophobicContact CB-CB 4.39Å; E429-E434 HydrophobicContact CG-CB 3.68Å; E434-A436 PolarHBondContact O-N 3.09Å; E434-A437 CarbonylContact O-C 3.58Å; E434-A437 PolarHBondContact O-N 3.18Å; E434-E438 PolarHBondContact O-N 3.14Å
435	M	87.4	Confident	91.5	Very high	58 Å²	58	39.7 Å²	39.7	29%	0.286	19%	0.185	S	C	.	.	H	α-helix	trans	-65.3	-23.7	-178.1	-54.2	-83.3	79.9	0	0	112.9	V433 E438 C439 F862	V433-M435 VanDerWaalsContact C-N 3.31Å; V433-M435 PolarHBondContact O-N 2.93Å; M435-E438 WeakPolarHBondContact CE-OE2 3.4Å; M435-C439 VanDerWaalsContact O-CB 3.28Å; M435-C439 WeakPolarHBondContact O-CB 3.32Å; M435-C439 PolarHBondContact O-N 3.1Å; M435-F862 HydrophobicContact SD-CE2 3.79Å; M435-F862 HydrophobicContact SD-CZ 3.67Å
436	A	88.6	Confident	91.5	Very high	4 Å²	4	38.9 Å²	38.9	3%	0.033	18%	0.181	C	C	.	.	H	α-helix	trans	-76.5	-40	171.8	0	0	0	0	0	111.3	L388 V433 E434 H440	L388-A436 HydrophobicContact CD1-CB 3.9Å; V433-A436 WeakPolarHBondContact O-CB 3.32Å; V433-A436 PolarHBondContact O-N 2.91Å; V433-A436 VanDerWaalsContact O-N 3.11Å; E434-A436 PolarHBondContact O-N 3.09Å; A436-H440 WeakPolarHBondContact O-CB 3.37Å; A436-H440 PolarHBondContact O-CD2 2.73Å; A436-H440 PolarHBondContact O-N 3.23Å
437	A	91.7	Very high	91.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-71.3	-37.1	176.8	0	0	0	0	0	112.4	L388 C428 V433 E434 L441 R445	L388-A437 HydrophobicContact CD1-CB 4.08Å; L388-A437 HydrophobicContact CD2-CB 4.42Å; C428-A437 HydrophobicContact CB-CB 3.58Å; V433-A437 PolarHBondContact O-N 2.78Å; E434-A437 CarbonylContact O-C 3.58Å; E434-A437 PolarHBondContact O-N 3.18Å; A437-L441 HydrophobicContact CB-CD1 4.34Å; A437-L441 WeakPolarHBondContact O-CB 3.16Å; A437-L441 PolarHBondContact O-N 3.02Å; A437-R445 PolarHBondContact O-NH2 3.28Å
438	E	89.6	Confident	91.6	Very high	62 Å²	62	31.7 Å²	31.7	29%	0.29	15%	0.153	S	C	.	.	H	α-helix	trans	-59.3	-52.8	172.9	-159.7	-167.3	142	0	0	109.9	E434 M435 D442 R445 S872	E434-E438 PolarHBondContact O-N 3.14Å; M435-E438 WeakPolarHBondContact CE-OE2 3.4Å; E438-D442 WeakPolarHBondContact O-CB 3.42Å; E438-R445 PolarHBondContact O-NH1 3.13Å; E438-R445 PolarHBondContact O-NH2 3.4Å; E438-S872 VanDerWaalsContact CD-OG 3.28Å; E438-S872 WeakPolarHBondContact OE1-CB 3.22Å; E438-S872 PolarHBondContact OE1-OG 2.95Å
439	C	89.8	Confident	91.6	Very high	6 Å²	6	33.6 Å²	33.6	4%	0.041	16%	0.164	C	C	.	.	H	α-helix	trans	-62.4	-57.7	-179.1	171.7	0	0	0	0	114	M435 D442 K467 Y869	M435-C439 VanDerWaalsContact O-CB 3.28Å; M435-C439 WeakPolarHBondContact O-CB 3.32Å; M435-C439 PolarHBondContact O-N 3.1Å; C439-D442 WeakPolarHBondContact O-CB 3.36Å; C439-K467 PolarHBondContact O-NZ 2.91Å; C439-Y869 HydrophobicContact CB-CD1 3.67Å; C439-Y869 HydrophobicContact CB-CE1 3.99Å; C439-Y869 VanDerWaalsContact SG-CD1 3.54Å
440	H	93.4	Very high	91.7	Very high	8 Å²	8	29.2 Å²	29.2	4%	0.037	14%	0.143	C	C	.	.	H	α-helix	trans	-83.7	-30.1	-163.6	-66.2	-58.8	0	0	0	113.8	L388 H389 N392 A436 D442 H868 Y869	L388-H440 HydrophobicContact CB-CB 3.96Å; H389-H440 HydrophobicContact CB-CB 4.46Å; N392-H440 WeakPolarHBondContact CB-O 3.26Å; N392-H440 PolarHBondContact OD1-O 3.23Å; A436-H440 WeakPolarHBondContact O-CB 3.37Å; A436-H440 PolarHBondContact O-CD2 2.73Å; A436-H440 PolarHBondContact O-N 3.23Å; H440-D442 PolarHBondContact O-N 3.28Å; H440-H868 AromaticContact CE1-CD2 3.74Å; H440-Y869 AromaticContact CE1-CZ 3.9Å; H440-Y869 AromaticContact NE2-CE1 3.64Å; H440-Y869 AromaticContact NE2-CZ 3.3Å; H440-Y869 VanDerWaalsContact NE2-CZ 3.3Å; H440-Y869 PolarHBondContact NE2-OH 3.44Å
441	L	95	Very high	91.8	Very high	2 Å²	2	20 Å²	20	1%	0.01	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	2.7	176.5	-57.1	178.5	0	0	0	113.4	L388 V391 N392 I421 I424 A437 R443 S444 R445	L388-L441 HydrophobicContact CB-CD2 4.31Å; L388-L441 HydrophobicContact CD2-CD1 3.96Å; L388-L441 HydrophobicContact CD2-CD2 4.15Å; L388-L441 HydrophobicContact CD2-CG 4.12Å; L388-L441 WeakPolarHBondContact O-CD2 3.39Å; V391-L441 HydrophobicContact CB-CD2 4.22Å; V391-L441 HydrophobicContact CG1-CD2 4.09Å; N392-L441 HydrophobicContact CB-CD2 4.34Å; I421-L441 HydrophobicContact CG2-CB 4.13Å; I421-L441 HydrophobicContact CG2-CD1 4.22Å; I424-L441 HydrophobicContact CB-CD1 4.35Å; I424-L441 HydrophobicContact CG2-CD1 3.86Å; A437-L441 HydrophobicContact CB-CD1 4.34Å; A437-L441 WeakPolarHBondContact O-CB 3.16Å; A437-L441 PolarHBondContact O-N 3.02Å; L441-R443 PolarHBondContact O-N 2.82Å; L441-S444 PolarHBondContact O-N 2.9Å; L441-R445 VanDerWaalsContact O-CB 3.32Å; L441-R445 WeakPolarHBondContact O-CB 3.4Å; L441-R445 PolarHBondContact O-N 2.87Å
442	D	91.9	Very high	92.2	Very high	4 Å²	4	19.6 Å²	19.6	2%	0.021	11%	0.109	C	C	.	.	H	α-helix	trans	-69.5	-35.3	-166.1	-165.3	44.4	0	0	0	114.3	E438 C439 H440 R445 Q446 Y466 K467	E438-D442 WeakPolarHBondContact O-CB 3.42Å; C439-D442 WeakPolarHBondContact O-CB 3.36Å; H440-D442 PolarHBondContact O-N 3.28Å; D442-R445 VanDerWaalsContact CA-NH1 3.32Å; D442-R445 WeakPolarHBondContact O-CB 3.32Å; D442-R445 PolarHBondContact O-N 3.06Å; D442-R445 IonicContact OD1-CZ 3.84Å; D442-R445 IonicContact OD1-NH1 3.56Å; D442-R445 PolarHBondContact OD1-NH1 3.02Å; D442-Q446 WeakPolarHBondContact O-CB 3.46Å; D442-Q446 VanDerWaalsContact O-CG 3.25Å; D442-Q446 WeakPolarHBondContact O-CG 3.4Å; D442-Q446 PolarHBondContact O-N 2.88Å; D442-Q446 PolarHBondContact OD2-NE2 2.97Å; D442-Y466 PolarHBondContact OD2-OH 3.27Å; D442-K467 HydrophobicContact CB-CD 4.32Å; D442-K467 WeakPolarHBondContact OD2-CD 3.3Å; D442-K467 IonicContact OD2-NZ 2.69Å; D442-K467 PolarHBondContact OD2-NZ 3.05Å
443	R	92.4	Very high	92.6	Very high	42 Å²	42	18.3 Å²	18.3	16%	0.158	9%	0.091	C	C	.	.	H	α-helix	trans	-69.9	-42.2	177.9	-74.4	-171	170.4	164.2	0.4	111.2	N392 F396 L441 R445 Q446 A447 K467 L468 E520	N392-R443 PolarHBondContact OD1-N 3.15Å; F396-R443 HydrophobicContact CD2-CB 3.97Å; F396-R443 HydrophobicContact CE2-CB 4.13Å; L441-R443 PolarHBondContact O-N 2.82Å; R443-R445 VanDerWaalsContact C-N 3.34Å; R443-R445 PolarHBondContact O-N 3.25Å; R443-Q446 PolarHBondContact O-N 2.75Å; R443-A447 WeakPolarHBondContact O-CB 3.48Å; R443-A447 PolarHBondContact O-N 2.74Å; R443-K467 HydrophobicContact CG-CD 4.44Å; R443-K467 HydrophobicContact CG-CG 4.47Å; R443-K467 PolarHBondContact NE-O 3.37Å; R443-K467 VanDerWaalsContact NE-O 3.11Å; R443-L468 HydrophobicContact CB-CD2 4.07Å; R443-L468 HydrophobicContact CG-CD2 4.11Å; R443-E520 WeakPolarHBondContact CD-OE1 3.37Å; R443-E520 WeakPolarHBondContact CD-OE2 3.43Å; R443-E520 IonicContact CZ-OE1 2.69Å; R443-E520 IonicContact CZ-OE2 3.75Å; R443-E520 IonicContact NE-OE1 3.81Å; R443-E520 IonicContact NE-OE2 2.98Å; R443-E520 IonicContact NH1-OE1 3.48Å; R443-E520 PolarHBondContact NH1-OE1 3.33Å; R443-E520 IonicContact NH1-OE2 3.74Å; R443-E520 PolarHBondContact NH1-OE2 2.98Å
444	S	95.1	Very high	92.7	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.014	12%	0.116	C	C	.	.	H	α-helix	trans	-60.9	-40.1	169.5	-57.3	0	0	0	0	112.8	N392 L441 A447 A448	N392-S444 WeakPolarHBondContact CA-OG 3.45Å; N392-S444 PolarHBondContact O-OG 3.13Å; N392-S444 PolarHBondContact OD1-N 3.31Å; N392-S444 PolarHBondContact OD1-OG 2.77Å; N392-S444 VanDerWaalsContact OD1-OG 3.09Å; L441-S444 PolarHBondContact O-N 2.9Å; S444-A447 PolarHBondContact O-N 3.42Å; S444-A448 WeakPolarHBondContact O-CB 3.4Å; S444-A448 PolarHBondContact O-N 3.26Å
445	R	95.6	Very high	92.9	Very high	44 Å²	44	21.3 Å²	21.3	17%	0.166	10%	0.104	C	C	.	.	H	α-helix	trans	-61.4	-44.4	175.9	-173.8	-168.3	-61.4	120.1	5.8	111.6	I421 A437 E438 L441 D442 R443 A448 N449	I421-R445 HydrophobicContact CG2-CB 4.29Å; A437-R445 PolarHBondContact O-NH2 3.28Å; E438-R445 PolarHBondContact O-NH1 3.13Å; E438-R445 PolarHBondContact O-NH2 3.4Å; L441-R445 VanDerWaalsContact O-CB 3.32Å; L441-R445 WeakPolarHBondContact O-CB 3.4Å; L441-R445 PolarHBondContact O-N 2.87Å; D442-R445 VanDerWaalsContact CA-NH1 3.32Å; D442-R445 WeakPolarHBondContact O-CB 3.32Å; D442-R445 PolarHBondContact O-N 3.06Å; D442-R445 IonicContact OD1-CZ 3.84Å; D442-R445 IonicContact OD1-NH1 3.56Å; D442-R445 PolarHBondContact OD1-NH1 3.02Å; R443-R445 VanDerWaalsContact C-N 3.34Å; R443-R445 PolarHBondContact O-N 3.25Å; R445-A448 PolarHBondContact O-N 3.4Å; R445-N449 WeakPolarHBondContact O-CB 3.48Å; R445-N449 PolarHBondContact O-N 2.78Å; R445-N449 PolarHBondContact O-ND2 2.88Å
446	Q	95.4	Very high	92.9	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-67.7	-40.2	177.4	-70.7	-171.8	37	0	0	112.1	D442 R443 N449 L450 T464 Y466 L468	D442-Q446 WeakPolarHBondContact O-CB 3.46Å; D442-Q446 VanDerWaalsContact O-CG 3.25Å; D442-Q446 WeakPolarHBondContact O-CG 3.4Å; D442-Q446 PolarHBondContact O-N 2.88Å; D442-Q446 PolarHBondContact OD2-NE2 2.97Å; R443-Q446 PolarHBondContact O-N 2.75Å; Q446-N449 PolarHBondContact O-N 2.91Å; Q446-L450 WeakPolarHBondContact O-CB 3.34Å; Q446-L450 PolarHBondContact O-N 3.19Å; Q446-T464 VanDerWaalsContact CB-O 3.23Å; Q446-T464 WeakPolarHBondContact CB-O 3.4Å; Q446-T464 WeakPolarHBondContact CG-O 3.39Å; Q446-T464 PolarHBondContact OE1-O 2.96Å; Q446-Y466 HydrophobicContact CG-CE1 4.21Å; Q446-L468 HydrophobicContact CB-CD1 4Å; Q446-L468 HydrophobicContact CB-CD2 4.06Å; Q446-L468 HydrophobicContact CB-CG 3.89Å
447	A	95.2	Very high	92.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-61.7	-46.3	173.2	0	0	0	0	0	112.1	F396 L399 R443 S444 N449 L450 L451 I476	F396-A447 HydrophobicContact CD2-CB 4.06Å; F396-A447 HydrophobicContact CE2-CB 3.9Å; L399-A447 HydrophobicContact CD1-CB 3.95Å; R443-A447 WeakPolarHBondContact O-CB 3.48Å; R443-A447 PolarHBondContact O-N 2.74Å; S444-A447 PolarHBondContact O-N 3.42Å; A447-N449 VanDerWaalsContact C-N 3.33Å; A447-N449 PolarHBondContact O-N 2.73Å; A447-L450 PolarHBondContact O-N 2.82Å; A447-L451 WeakPolarHBondContact O-CG 3.12Å; A447-L451 PolarHBondContact O-N 2.92Å; A447-I476 HydrophobicContact CB-CD1 3.91Å
448	A	95.6	Very high	92.8	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-60.3	-41.5	175.6	0	0	0	0	0	112.2	L417 Q418 I421 S444 R445 A452	L417-A448 HydrophobicContact CB-CB 3.59Å; Q418-A448 HydrophobicContact CG-CB 4.11Å; I421-A448 HydrophobicContact CD1-CB 4.36Å; S444-A448 WeakPolarHBondContact O-CB 3.4Å; S444-A448 PolarHBondContact O-N 3.26Å; R445-A448 PolarHBondContact O-N 3.4Å; A448-A452 VanDerWaalsContact O-CB 3.24Å; A448-A452 WeakPolarHBondContact O-CB 3.26Å; A448-A452 PolarHBondContact O-N 3.3Å
449	N	95.3	Very high	92.8	Very high	42 Å²	42	28.1 Å²	28.1	23%	0.225	15%	0.153	C	C	.	.	H	α-helix	trans	-64.1	-41.5	173.7	-71.2	-26.4	0	0	0	112.6	Q418 R445 Q446 A447 A452 T453 T464	Q418-N449 PolarHBondContact NE2-OD1 2.77Å; R445-N449 WeakPolarHBondContact O-CB 3.48Å; R445-N449 PolarHBondContact O-N 2.78Å; R445-N449 PolarHBondContact O-ND2 2.88Å; Q446-N449 PolarHBondContact O-N 2.91Å; A447-N449 VanDerWaalsContact C-N 3.33Å; A447-N449 PolarHBondContact O-N 2.73Å; N449-A452 PolarHBondContact O-N 2.94Å; N449-T453 WeakPolarHBondContact O-CB 3.34Å; N449-T453 PolarHBondContact O-N 2.9Å; N449-T453 PolarHBondContact O-OG1 3.47Å; N449-T464 HydrophobicContact CB-CG2 3.8Å
450	L	94.8	Very high	92.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-65.1	-42.7	178.9	-171.5	64.8	0	0	0	111.2	Q446 A447 L461 C465 L468 I476 L477	Q446-L450 WeakPolarHBondContact O-CB 3.34Å; Q446-L450 PolarHBondContact O-N 3.19Å; A447-L450 PolarHBondContact O-N 2.82Å; L450-L461 HydrophobicContact CD1-CB 4.34Å; L450-L461 HydrophobicContact CD1-CD2 3.76Å; L450-C465 HydrophobicContact CD1-CB 4.32Å; L450-C465 HydrophobicContact CD2-CB 4.42Å; L450-L468 HydrophobicContact CD2-CD1 4.12Å; L450-I476 HydrophobicContact CD2-CB 4.3Å; L450-I476 HydrophobicContact CD2-CG2 3.99Å; L450-I476 HydrophobicContact CG-CG2 4.45Å; L450-L477 HydrophobicContact CD1-CD1 4.47Å; L450-L477 HydrophobicContact CD1-CD2 4.05Å; L450-L477 HydrophobicContact CD2-CD2 4.26Å; L450-L477 HydrophobicContact CD2-CG 4.17Å; L450-L477 HydrophobicContact CG-CD2 3.9Å; L450-L477 HydrophobicContact CG-CG 4.35Å
451	L	93.8	Very high	92.6	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-63.2	-43.5	172.2	-71.6	173.3	0	0	0	112.3	L399 L409 T411 A447 T453 K455 I476 F480	L399-L451 HydrophobicContact CD2-CD1 4.26Å; L409-L451 HydrophobicContact CB-CD2 3.94Å; L409-L451 HydrophobicContact CD2-CD1 4.34Å; L409-L451 HydrophobicContact CD2-CD2 4.49Å; T411-L451 PolarHBondContact OG1-O 2.96Å; A447-L451 WeakPolarHBondContact O-CG 3.12Å; A447-L451 PolarHBondContact O-N 2.92Å; L451-T453 PolarHBondContact O-N 2.21Å; L451-K455 PolarHBondContact O-NZ 2.79Å; L451-I476 HydrophobicContact CD2-CG2 3.77Å; L451-I476 HydrophobicContact CG-CG2 4.02Å; L451-F480 HydrophobicContact CD2-CD2 4Å
452	A	93.3	Very high	92.3	Very high	16 Å²	16	29.1 Å²	29.1	13%	0.132	17%	0.165	C	C	.	.	H	α-helix	trans	-77.6	-14.7	-176.5	0	0	0	0	0	115.1	K415 Q418 A448 N449	K415-A452 HydrophobicContact CG-CB 4Å; Q418-A452 VanDerWaalsContact CD-CB 3.49Å; Q418-A452 HydrophobicContact CG-CB 4.4Å; Q418-A452 VanDerWaalsContact OE1-CB 3.24Å; A448-A452 VanDerWaalsContact O-CB 3.24Å; A448-A452 WeakPolarHBondContact O-CB 3.26Å; A448-A452 PolarHBondContact O-N 3.3Å; N449-A452 PolarHBondContact O-N 2.94Å
453	T	93.2	Very high	92.1	Very high	24 Å²	24	31.3 Å²	31.3	15%	0.147	18%	0.18	C	C	.	.	S	Bend	trans	-81.9	146.4	-177.8	-62.8	0	0	0	0	111.5	N449 L451 K455 A460 L461	N449-T453 WeakPolarHBondContact O-CB 3.34Å; N449-T453 PolarHBondContact O-N 2.9Å; N449-T453 PolarHBondContact O-OG1 3.47Å; L451-T453 PolarHBondContact O-N 2.21Å; T453-K455 PolarHBondContact O-N 2.87Å; T453-K455 PolarHBondContact O-NZ 2.91Å; T453-A460 HydrophobicContact CG2-CB 3.65Å; T453-L461 HydrophobicContact CG2-CD2 3.68Å; T453-L461 HydrophobicContact CG2-CG 3.95Å
454	Q	90.3	Very high	91.8	Very high	130 Å²	130	30.2 Å²	30.2	61%	0.607	18%	0.178	S	C	*	.			trans	-63.7	128.8	177.6	-62.8	-176	-5.3	0	0	110.9	N456 D457	Q454-N456 WeakPolarHBondContact CB-OD1 3.31Å; Q454-N456 PolarHBondContact O-N 3.34Å; Q454-N456 VanDerWaalsContact O-N 3.12Å; Q454-D457 PolarHBondContact O-N 2.95Å
455	K	92.7	Very high	91.3	Very high	1 Å²	1	30.2 Å²	30.2	0%	0.004	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-5.4	-168.3	-55.5	-55.7	177.3	-61	0	115.2	T411 L451 T453 L461 L477 F480 C489	T411-K455 PolarHBondContact OG1-NZ 2.83Å; L451-K455 PolarHBondContact O-NZ 2.79Å; T453-K455 PolarHBondContact O-N 2.87Å; T453-K455 PolarHBondContact O-NZ 2.91Å; K455-L461 HydrophobicContact CD-CD2 4.44Å; K455-L477 HydrophobicContact CD-CD2 4.3Å; K455-F480 HydrophobicContact CD-CD1 4.24Å; K455-F480 HydrophobicContact CD-CE1 4.22Å; K455-F480 HydrophobicContact CD-CG 4.45Å; K455-F480 HydrophobicContact CD-CZ 4.42Å; K455-F480 VanDerWaalsContact CE-CZ 3.47Å; K455-F480 HydrophobicContact CG-CD1 3.94Å; K455-F480 HydrophobicContact CG-CE1 3.67Å; K455-F480 HydrophobicContact CG-CZ 4.17Å; K455-C489 HydrophobicContact CB-CB 4.08Å; K455-C489 HydrophobicContact CD-CB 4.47Å; K455-C489 HydrophobicContact CG-CB 4.19Å
456	N	88.4	Confident	90.8	Very high	82 Å²	82	29.9 Å²	29.9	44%	0.439	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95	-19.4	174.3	60.7	-17.3	0	0	0	114.1	Q454 V458	Q454-N456 WeakPolarHBondContact CB-OD1 3.31Å; Q454-N456 PolarHBondContact O-N 3.34Å; Q454-N456 VanDerWaalsContact O-N 3.12Å; N456-V458 PolarHBondContact O-N 2.78Å; N456-V458 VanDerWaalsContact O-N 3.14Å
457	D	89.6	Confident	90.3	Very high	74 Å²	74	31.1 Å²	31.1	40%	0.396	18%	0.183	S	C	.	.			trans	-87	85.1	-179.8	-170.6	-13.8	0	0	0	111.4	Q454 A459 A460 L461	Q454-D457 PolarHBondContact O-N 2.95Å; D457-A459 PolarHBondContact O-N 2.7Å; D457-A459 VanDerWaalsContact O-N 3.15Å; D457-A459 WeakPolarHBondContact OD1-CA 3.5Å; D457-A459 WeakPolarHBondContact OD1-CB 3.32Å; D457-A459 PolarHBondContact OD1-N 2.74Å; D457-A460 HydrophobicContact CB-CB 3.89Å; D457-A460 VanDerWaalsContact CG-CB 3.43Å; D457-A460 PolarHBondContact O-N 3.1Å; D457-A460 PolarHBondContact OD1-N 2.78Å; D457-A460 WeakPolarHBondContact OD2-CB 3.28Å; D457-L461 WeakPolarHBondContact O-CB 3.49Å; D457-L461 VanDerWaalsContact O-CG 3.24Å; D457-L461 WeakPolarHBondContact O-CG 3.38Å; D457-L461 PolarHBondContact O-N 3.41Å
458	V	89.3	Confident	90.3	Very high	48 Å²	48	31.1 Å²	31.1	29%	0.291	18%	0.183	S	C	.	.	H	α-helix	trans	-54.5	-30	176.3	-174	0	0	0	0	112.5	N456 G462 V493 R496 I497	N456-V458 PolarHBondContact O-N 2.78Å; N456-V458 VanDerWaalsContact O-N 3.14Å; V458-G462 PolarHBondContact O-N 3Å; V458-V493 HydrophobicContact CG2-CG1 4.35Å; V458-V493 HydrophobicContact CG2-CG2 4.21Å; V458-R496 HydrophobicContact CG1-CB 4.12Å; V458-I497 HydrophobicContact CB-CD1 4.47Å; V458-I497 HydrophobicContact CG1-CD1 3.72Å; V458-I497 WeakPolarHBondContact O-CD1 3.5Å
459	A	88.1	Confident	90.2	Very high	63 Å²	63	31.2 Å²	31.2	52%	0.521	18%	0.183	S	C	.	.	H	α-helix	trans	-79.7	-40.1	-179.5	0	0	0	0	0	111.8	D457 S463	D457-A459 PolarHBondContact O-N 2.7Å; D457-A459 VanDerWaalsContact O-N 3.15Å; D457-A459 WeakPolarHBondContact OD1-CA 3.5Å; D457-A459 WeakPolarHBondContact OD1-CB 3.32Å; D457-A459 PolarHBondContact OD1-N 2.74Å; A459-S463 PolarHBondContact O-N 2.95Å
460	A	89.6	Confident	90.2	Very high	27 Å²	27	29.9 Å²	29.9	22%	0.223	18%	0.177	C	C	.	.	H	α-helix	trans	-64.7	-50.5	171.7	0	0	0	0	0	111.1	T453 D457 G462 S463 T464	T453-A460 HydrophobicContact CG2-CB 3.65Å; D457-A460 HydrophobicContact CB-CB 3.89Å; D457-A460 VanDerWaalsContact CG-CB 3.43Å; D457-A460 PolarHBondContact O-N 3.1Å; D457-A460 PolarHBondContact OD1-N 2.78Å; D457-A460 WeakPolarHBondContact OD2-CB 3.28Å; A460-G462 VanDerWaalsContact C-N 3.34Å; A460-G462 PolarHBondContact O-N 3.45Å; A460-S463 WeakPolarHBondContact O-CB 3.44Å; A460-S463 PolarHBondContact O-N 3.5Å; A460-S463 PolarHBondContact O-OG 2.91Å; A460-T464 PolarHBondContact O-N 3.25Å
461	L	90.8	Very high	90.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-56.5	-45.7	177.3	-65.8	166.2	0	0	0	111.6	L450 T453 K455 D457 S463 T464 C465 V493 I497	L450-L461 HydrophobicContact CD1-CB 4.34Å; L450-L461 HydrophobicContact CD1-CD2 3.76Å; T453-L461 HydrophobicContact CG2-CD2 3.68Å; T453-L461 HydrophobicContact CG2-CG 3.95Å; K455-L461 HydrophobicContact CD-CD2 4.44Å; D457-L461 WeakPolarHBondContact O-CB 3.49Å; D457-L461 VanDerWaalsContact O-CG 3.24Å; D457-L461 WeakPolarHBondContact O-CG 3.38Å; D457-L461 PolarHBondContact O-N 3.41Å; L461-S463 PolarHBondContact O-N 2.92Å; L461-T464 PolarHBondContact O-N 3.39Å; L461-T464 PolarHBondContact O-OG1 3.25Å; L461-C465 PolarHBondContact O-SG 2.84Å; L461-C465 VanDerWaalsContact O-SG 3.39Å; L461-V493 HydrophobicContact CD1-CG1 3.61Å; L461-I497 HydrophobicContact CB-CD1 3.76Å; L461-I497 HydrophobicContact CB-CG1 4.05Å; L461-I497 HydrophobicContact CD1-CG1 4.49Å
462	G	87.3	Confident	90.2	Very high	11 Å²	11	33.9 Å²	33.9	11%	0.113	20%	0.198	C	C	.	.	H	α-helix	trans	-66.1	-20	177.1	0	0	0	0	0	114.3	V458 A460 L500	V458-G462 PolarHBondContact O-N 3Å; A460-G462 VanDerWaalsContact C-N 3.34Å; A460-G462 PolarHBondContact O-N 3.45Å; G462-L500 VanDerWaalsContact CA-CD2 3.48Å; G462-L500 WeakPolarHBondContact O-CD2 3.48Å
463	S	88	Confident	90.3	Very high	49 Å²	49	33.1 Å²	33.1	34%	0.343	19%	0.192	S	C	.	.	H	α-helix	trans	-85.1	-19.5	175.5	79	0	0	0	0	113.9	A459 A460 L461	A459-S463 PolarHBondContact O-N 2.95Å; A460-S463 WeakPolarHBondContact O-CB 3.44Å; A460-S463 PolarHBondContact O-N 3.5Å; A460-S463 PolarHBondContact O-OG 2.91Å; L461-S463 PolarHBondContact O-N 2.92Å
464	T	86.3	Confident	90.3	Very high	19 Å²	19	34.5 Å²	34.5	12%	0.117	20%	0.2	C	C	.	.	H	α-helix	trans	-92.8	-22.6	-175.5	56.1	0	0	0	0	114.1	Q446 N449 A460 L461	Q446-T464 VanDerWaalsContact CB-O 3.23Å; Q446-T464 WeakPolarHBondContact CB-O 3.4Å; Q446-T464 WeakPolarHBondContact CG-O 3.39Å; Q446-T464 PolarHBondContact OE1-O 2.96Å; N449-T464 HydrophobicContact CB-CG2 3.8Å; A460-T464 PolarHBondContact O-N 3.25Å; L461-T464 PolarHBondContact O-N 3.39Å; L461-T464 PolarHBondContact O-OG1 3.25Å
465	C	84.3	Confident	90.4	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.014	18%	0.182	C	C	.	.			trans	-106.7	24	-170.3	67.6	0	0	0	0	115.5	L450 L461 K467 L468 V473 I497	L450-C465 HydrophobicContact CD1-CB 4.32Å; L450-C465 HydrophobicContact CD2-CB 4.42Å; L461-C465 PolarHBondContact O-SG 2.84Å; L461-C465 VanDerWaalsContact O-SG 3.39Å; C465-K467 PolarHBondContact O-N 3.23Å; C465-L468 HydrophobicContact CB-CB 4.24Å; C465-L468 HydrophobicContact CB-CD1 4.04Å; C465-L468 HydrophobicContact CB-CG 4.32Å; C465-L468 PolarHBondContact O-N 2.81Å; C465-L468 VanDerWaalsContact O-N 3.09Å; C465-V473 HydrophobicContact CB-CG2 3.94Å; C465-I497 WeakPolarHBondContact SG-CG2 3.49Å
466	Y	84.9	Confident	90.5	Very high	37 Å²	37	30.7 Å²	30.7	15%	0.145	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-10.8	-169.3	69.5	-88.7	0	0	0	116.9	D442 Q446 P875	D442-Y466 PolarHBondContact OD2-OH 3.27Å; Q446-Y466 HydrophobicContact CG-CE1 4.21Å; Y466-P875 HydrophobicContact CD1-CG 4.03Å; Y466-P875 HydrophobicContact CG-CB 4.43Å; Y466-P875 HydrophobicContact CG-CG 3.95Å
467	K	86.8	Confident	90.7	Very high	27 Å²	27	27 Å²	27	12%	0.117	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.7	1.3	177.9	-161.1	-178.5	-175.2	178.4	0	112.5	C439 D442 R443 C465	C439-K467 PolarHBondContact O-NZ 2.91Å; D442-K467 HydrophobicContact CB-CD 4.32Å; D442-K467 WeakPolarHBondContact OD2-CD 3.3Å; D442-K467 IonicContact OD2-NZ 2.69Å; D442-K467 PolarHBondContact OD2-NZ 3.05Å; R443-K467 HydrophobicContact CG-CD 4.44Å; R443-K467 HydrophobicContact CG-CG 4.47Å; R443-K467 PolarHBondContact NE-O 3.37Å; R443-K467 VanDerWaalsContact NE-O 3.11Å; C465-K467 PolarHBondContact O-N 3.23Å
468	L	93.5	Very high	90.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	-90.6	130.7	173.2	-56.8	-173.8	0	0	0	108.8	F396 R443 Q446 L450 C465 Q472 V473 I476 A505	F396-L468 HydrophobicContact CE2-CD2 3.6Å; F396-L468 HydrophobicContact CZ-CD2 4.05Å; R443-L468 HydrophobicContact CB-CD2 4.07Å; R443-L468 HydrophobicContact CG-CD2 4.11Å; Q446-L468 HydrophobicContact CB-CD1 4Å; Q446-L468 HydrophobicContact CB-CD2 4.06Å; Q446-L468 HydrophobicContact CB-CG 3.89Å; L450-L468 HydrophobicContact CD2-CD1 4.12Å; C465-L468 HydrophobicContact CB-CB 4.24Å; C465-L468 HydrophobicContact CB-CD1 4.04Å; C465-L468 HydrophobicContact CB-CG 4.32Å; C465-L468 PolarHBondContact O-N 2.81Å; C465-L468 VanDerWaalsContact O-N 3.09Å; L468-Q472 HydrophobicContact CB-CB 4.42Å; L468-V473 HydrophobicContact CB-CG2 3.81Å; L468-I476 HydrophobicContact CD1-CD1 4.46Å; L468-A505 WeakPolarHBondContact O-CB 3.49Å
469	N	94.3	Very high	90.8	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.011	17%	0.173	C	C	.	.			trans	-78.1	169	-180	68.8	54.6	0	0	0	112.6	L471 Q472 V473 D506 V516 T517	N469-L471 VanDerWaalsContact C-N 3.32Å; N469-L471 PolarHBondContact O-N 2.87Å; N469-L471 WeakPolarHBondContact OD1-CB 3.46Å; N469-L471 PolarHBondContact OD1-N 3.41Å; N469-L471 VanDerWaalsContact OD1-N 3.14Å; N469-Q472 VanDerWaalsContact N-OE1 3.13Å; N469-Q472 PolarHBondContact ND2-NE2 3.46Å; N469-Q472 PolarHBondContact ND2-OE1 3.49Å; N469-Q472 WeakPolarHBondContact O-CB 3.4Å; N469-Q472 PolarHBondContact O-N 3.33Å; N469-Q472 VanDerWaalsContact O-N 3.16Å; N469-Q472 WeakPolarHBondContact OD1-CG 3.21Å; N469-Q472 PolarHBondContact OD1-N 3.49Å; N469-V473 WeakPolarHBondContact O-CG2 3.34Å; N469-V473 PolarHBondContact O-N 3.41Å; N469-D506 VanDerWaalsContact CA-OD1 3.23Å; N469-D506 WeakPolarHBondContact CA-OD1 3.3Å; N469-D506 VanDerWaalsContact CB-OD1 3.31Å; N469-D506 WeakPolarHBondContact CB-OD1 3.32Å; N469-V516 HydrophobicContact CB-CG1 3.76Å; N469-T517 PolarHBondContact ND2-O 3.39Å
470	S	94.7	Very high	91	Very high	14 Å²	14	24.3 Å²	24.3	10%	0.098	15%	0.151	C	C	.	.	H	α-helix	trans	-52.9	-45.9	-178.3	60.5	0	0	0	0	112.8	Q472 V473 V474 D506	S470-Q472 PolarHBondContact O-N 3.35Å; S470-V473 PolarHBondContact O-N 3.18Å; S470-V474 WeakPolarHBondContact O-CB 3.28Å; S470-V474 VanDerWaalsContact O-CG2 3.25Å; S470-V474 WeakPolarHBondContact O-CG2 3.3Å; S470-V474 PolarHBondContact O-N 3.39Å; S470-D506 VanDerWaalsContact CB-OD2 3.24Å; S470-D506 WeakPolarHBondContact CB-OD2 3.06Å; S470-D506 PolarHBondContact N-OD1 2.93Å; S470-D506 PolarHBondContact OG-OD2 3.39Å
471	L	94.4	Very high	91	Very high	85 Å²	85	27.6 Å²	27.6	45%	0.445	16%	0.162	S	C	.	.	H	α-helix	trans	-62.9	-44.2	179.3	-53.3	-178.9	0	0	0	111.5	N469 H475 V516 L518	N469-L471 VanDerWaalsContact C-N 3.32Å; N469-L471 PolarHBondContact O-N 2.87Å; N469-L471 WeakPolarHBondContact OD1-CB 3.46Å; N469-L471 PolarHBondContact OD1-N 3.41Å; N469-L471 VanDerWaalsContact OD1-N 3.14Å; L471-H475 VanDerWaalsContact O-CB 3.3Å; L471-H475 WeakPolarHBondContact O-CB 3.36Å; L471-H475 PolarHBondContact O-N 3.44Å; L471-V516 HydrophobicContact CD1-CG1 3.97Å; L471-V516 HydrophobicContact CG-CG1 4.04Å; L471-L518 HydrophobicContact CB-CD1 4.36Å
472	Q	94.6	Very high	90.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-63.8	-47.2	177.3	-71.5	173.8	-16.3	0	0	111.9	F396 L468 N469 S470 H475 I476 L518 E520	F396-Q472 HydrophobicContact CE1-CG 3.83Å; F396-Q472 VanDerWaalsContact CE1-NE2 3.29Å; F396-Q472 HydrophobicContact CZ-CB 3.99Å; F396-Q472 VanDerWaalsContact CZ-CD 3.41Å; F396-Q472 HydrophobicContact CZ-CG 3.68Å; L468-Q472 HydrophobicContact CB-CB 4.42Å; N469-Q472 VanDerWaalsContact N-OE1 3.13Å; N469-Q472 PolarHBondContact ND2-NE2 3.46Å; N469-Q472 PolarHBondContact ND2-OE1 3.49Å; N469-Q472 WeakPolarHBondContact O-CB 3.4Å; N469-Q472 PolarHBondContact O-N 3.33Å; N469-Q472 VanDerWaalsContact O-N 3.16Å; N469-Q472 WeakPolarHBondContact OD1-CG 3.21Å; N469-Q472 PolarHBondContact OD1-N 3.49Å; S470-Q472 PolarHBondContact O-N 3.35Å; Q472-H475 PolarHBondContact O-N 2.78Å; Q472-I476 WeakPolarHBondContact O-CB 3.36Å; Q472-I476 WeakPolarHBondContact O-CD1 3.21Å; Q472-I476 VanDerWaalsContact O-CG1 3.26Å; Q472-I476 WeakPolarHBondContact O-CG1 3.49Å; Q472-I476 PolarHBondContact O-N 2.89Å; Q472-L518 HydrophobicContact CG-CD1 4.37Å; Q472-L518 WeakPolarHBondContact CG-O 3.26Å; Q472-L518 PolarHBondContact NE2-O 3.32Å; Q472-E520 PolarHBondContact NE2-OE1 3.11Å
473	V	94.8	Very high	90.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61.5	-47.8	177.4	164	0	0	0	0	111.4	C465 L468 N469 S470 L477 I497 A501	C465-V473 HydrophobicContact CB-CG2 3.94Å; L468-V473 HydrophobicContact CB-CG2 3.81Å; N469-V473 WeakPolarHBondContact O-CG2 3.34Å; N469-V473 PolarHBondContact O-N 3.41Å; S470-V473 PolarHBondContact O-N 3.18Å; V473-L477 HydrophobicContact CG1-CD1 3.97Å; V473-L477 WeakPolarHBondContact O-CB 3.47Å; V473-L477 WeakPolarHBondContact O-CG 3.34Å; V473-L477 PolarHBondContact O-N 2.91Å; V473-L477 VanDerWaalsContact O-N 3.12Å; V473-I497 HydrophobicContact CG1-CB 3.99Å; V473-I497 HydrophobicContact CG1-CG2 3.62Å; V473-A501 HydrophobicContact CB-CB 4.48Å; V473-A501 HydrophobicContact CG2-CB 4.05Å
474	V	94.1	Very high	90.5	Very high	54 Å²	54	39 Å²	39	33%	0.327	22%	0.219	S	C	.	.	H	α-helix	trans	-60.3	-51.8	178.1	169.1	0	0	0	0	109.9	S470 I476 L477 S478 V494 C498	S470-V474 WeakPolarHBondContact O-CB 3.28Å; S470-V474 VanDerWaalsContact O-CG2 3.25Å; S470-V474 WeakPolarHBondContact O-CG2 3.3Å; S470-V474 PolarHBondContact O-N 3.39Å; V474-I476 PolarHBondContact O-N 3.32Å; V474-L477 PolarHBondContact O-N 3.08Å; V474-S478 VanDerWaalsContact O-CB 3.31Å; V474-S478 WeakPolarHBondContact O-CB 3.49Å; V474-S478 PolarHBondContact O-N 3.31Å; V474-S478 PolarHBondContact O-OG 2.95Å; V474-V494 HydrophobicContact CB-CG1 4.43Å; V474-V494 HydrophobicContact CG1-CG1 4.46Å; V474-V494 HydrophobicContact CG2-CG1 4.17Å; V474-C498 HydrophobicContact CG2-CB 3.76Å; V474-C498 VanDerWaalsContact CG2-SG 3.59Å
475	H	93.3	Very high	90.2	Very high	49 Å²	49	42.2 Å²	42.2	23%	0.227	26%	0.257	C	S	.	.	H	α-helix	trans	-60.6	-45.2	-176.2	-169.2	90.9	0	0	0	112.9	L471 Q472 L477 S478 G479 L518	L471-H475 VanDerWaalsContact O-CB 3.3Å; L471-H475 WeakPolarHBondContact O-CB 3.36Å; L471-H475 PolarHBondContact O-N 3.44Å; Q472-H475 PolarHBondContact O-N 2.78Å; H475-L477 PolarHBondContact O-N 3.16Å; H475-S478 PolarHBondContact O-OG 2.94Å; H475-G479 PolarHBondContact O-N 3.43Å; H475-L518 HydrophobicContact CB-CD1 3.74Å
476	I	93.4	Very high	90.3	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-66.2	-36.6	-179.9	-66.7	167.2	0	0	0	111.7	F396 V400 A447 L450 L451 L468 Q472 V474	F396-I476 HydrophobicContact CE2-CD1 4.34Å; F396-I476 HydrophobicContact CZ-CD1 4.32Å; V400-I476 HydrophobicContact CG1-CD1 4.02Å; V400-I476 HydrophobicContact CG1-CG1 3.83Å; A447-I476 HydrophobicContact CB-CD1 3.91Å; L450-I476 HydrophobicContact CD2-CB 4.3Å; L450-I476 HydrophobicContact CD2-CG2 3.99Å; L450-I476 HydrophobicContact CG-CG2 4.45Å; L451-I476 HydrophobicContact CD2-CG2 3.77Å; L451-I476 HydrophobicContact CG-CG2 4.02Å; L468-I476 HydrophobicContact CD1-CD1 4.46Å; Q472-I476 WeakPolarHBondContact O-CB 3.36Å; Q472-I476 WeakPolarHBondContact O-CD1 3.21Å; Q472-I476 VanDerWaalsContact O-CG1 3.26Å; Q472-I476 WeakPolarHBondContact O-CG1 3.49Å; Q472-I476 PolarHBondContact O-N 2.89Å; V474-I476 PolarHBondContact O-N 3.32Å
477	L	92.8	Very high	90.4	Very high	4 Å²	4	46.4 Å²	46.4	2%	0.021	28%	0.279	C	S	.	.	H	α-helix	trans	-84	-35.1	-179.4	-66.6	177	0	0	0	113.4	L450 K455 V473 V474 H475 F480 V494 I497	L450-L477 HydrophobicContact CD1-CD1 4.47Å; L450-L477 HydrophobicContact CD1-CD2 4.05Å; L450-L477 HydrophobicContact CD2-CD2 4.26Å; L450-L477 HydrophobicContact CD2-CG 4.17Å; L450-L477 HydrophobicContact CG-CD2 3.9Å; L450-L477 HydrophobicContact CG-CG 4.35Å; K455-L477 HydrophobicContact CD-CD2 4.3Å; V473-L477 HydrophobicContact CG1-CD1 3.97Å; V473-L477 WeakPolarHBondContact O-CB 3.47Å; V473-L477 WeakPolarHBondContact O-CG 3.34Å; V473-L477 PolarHBondContact O-N 2.91Å; V473-L477 VanDerWaalsContact O-N 3.12Å; V474-L477 PolarHBondContact O-N 3.08Å; H475-L477 PolarHBondContact O-N 3.16Å; L477-F480 WeakPolarHBondContact O-CB 3.5Å; L477-F480 PolarHBondContact O-N 3.45Å; L477-V494 HydrophobicContact CB-CG1 4.14Å; L477-V494 HydrophobicContact CB-CG2 3.86Å; L477-I497 HydrophobicContact CD1-CB 4.2Å; L477-I497 HydrophobicContact CD1-CG1 4.34Å; L477-I497 HydrophobicContact CD1-CG2 4.48Å
478	S	91.4	Very high	90.4	Very high	81 Å²	81	48.8 Å²	48.8	57%	0.566	30%	0.297	S	S	*	.	H	α-helix	trans	-75.6	-26.7	176	68.1	0	0	0	0	112.8	V474 H475 F480	V474-S478 VanDerWaalsContact O-CB 3.31Å; V474-S478 WeakPolarHBondContact O-CB 3.49Å; V474-S478 PolarHBondContact O-N 3.31Å; V474-S478 PolarHBondContact O-OG 2.95Å; H475-S478 PolarHBondContact O-OG 2.94Å; S478-F480 VanDerWaalsContact C-N 3.31Å
479	G	89.1	Confident	90.2	Very high	32 Å²	32	50 Å²	50	33%	0.33	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	3	172.7	0	0	0	0	0	114.1	L409 H475 E481	L409-G479 WeakPolarHBondContact CB-O 3.45Å; H475-G479 PolarHBondContact O-N 3.43Å; G479-E481 PolarHBondContact O-N 3.43Å
480	F	92.3	Very high	90.1	Very high	17 Å²	17	54.4 Å²	54.4	8%	0.075	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-72.3	118.4	-175.3	179.8	-100.9	0	0	0	112.1	L409 T411 L451 K455 L477 S478 P482 C489	L409-F480 WeakPolarHBondContact O-CA 3.24Å; L409-F480 WeakPolarHBondContact O-CD2 3.35Å; T411-F480 WeakPolarHBondContact OG1-CZ 3.21Å; L451-F480 HydrophobicContact CD2-CD2 4Å; K455-F480 HydrophobicContact CD-CD1 4.24Å; K455-F480 HydrophobicContact CD-CE1 4.22Å; K455-F480 HydrophobicContact CD-CG 4.45Å; K455-F480 HydrophobicContact CD-CZ 4.42Å; K455-F480 VanDerWaalsContact CE-CZ 3.47Å; K455-F480 HydrophobicContact CG-CD1 3.94Å; K455-F480 HydrophobicContact CG-CE1 3.67Å; K455-F480 HydrophobicContact CG-CZ 4.17Å; L477-F480 WeakPolarHBondContact O-CB 3.5Å; L477-F480 PolarHBondContact O-N 3.45Å; S478-F480 VanDerWaalsContact C-N 3.31Å; F480-P482 HydrophobicContact CE1-CB 3.92Å; F480-P482 WeakPolarHBondContact O-CD 3.45Å; F480-C489 HydrophobicContact CD1-CB 4.42Å
481	E	90.4	Very high	89.9	Confident	95 Å²	95	60.3 Å²	60.3	44%	0.444	36%	0.359	S	S	.	.			trans	-99.7	110.4	175.3	-65.6	-173.4	146.4	0	0	109.1	Q408 L409 N410 G479	Q408-E481 WeakPolarHBondContact CB-OE2 3.06Å; Q408-E481 WeakPolarHBondContact CG-OE2 3.46Å; Q408-E481 PolarHBondContact NE2-OE2 3.4Å; L409-E481 PolarHBondContact O-N 3.11Å; N410-E481 WeakPolarHBondContact CA-O 3.28Å; N410-E481 WeakPolarHBondContact CB-O 3.38Å; G479-E481 PolarHBondContact O-N 3.43Å
482	P	89.2	Confident	89.9	Confident	54 Å²	54	61 Å²	61	35%	0.351	36%	0.363	S	S	.	.			trans	-70.4	137	178.5	27.3	-33	0	0	0	111.5	F480 E486 P488	F480-P482 HydrophobicContact CE1-CB 3.92Å; F480-P482 WeakPolarHBondContact O-CD 3.45Å; P482-E486 HydrophobicContact CB-CB 4.01Å; P482-E486 HydrophobicContact CB-CG 4.33Å; P482-P488 HydrophobicContact CG-CB 4.31Å; P482-P488 HydrophobicContact CG-CG 4.22Å
483	D	85.9	Confident	89.8	Confident	65 Å²	65	61.1 Å²	61.1	35%	0.348	36%	0.364	S	S	.	.			trans	-69.8	162.5	169.5	-67.8	-45.7	0	0	0	110.7	N410 G485 E486	N410-D483 PolarHBondContact ND2-OD1 3.46Å; N410-D483 PolarHBondContact ND2-OD2 2.89Å; D483-G485 PolarHBondContact O-N 2.68Å; D483-G485 VanDerWaalsContact O-N 3.07Å; D483-E486 VanDerWaalsContact O-CB 3.31Å; D483-E486 WeakPolarHBondContact O-CB 3.27Å; D483-E486 PolarHBondContact O-N 3.34Å
484	D	80.1	Confident	89.7	Confident	181 Å²	181	61.6 Å²	61.6	97%	0.968	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	114.7	-177.4	-91.1	-34.1	0	0	0	113.1
485	G	79.9	Confident	89.8	Confident	87 Å²	87	63.1 Å²	63.1	90%	0.897	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.2	2.9	-179.4	0	0	0	0	0	115.5	D483	D483-G485 PolarHBondContact O-N 2.68Å; D483-G485 VanDerWaalsContact O-N 3.07Å
486	E	87.8	Confident	89.8	Confident	50 Å²	50	65.1 Å²	65.1	23%	0.234	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-79.3	156.3	170.2	-174.1	158.9	-143.8	0	0	112.4	T411 P482 D483 P488	T411-E486 WeakPolarHBondContact CB-OE1 3.25Å; T411-E486 WeakPolarHBondContact CB-OE2 3.47Å; T411-E486 WeakPolarHBondContact CG2-OE1 3.28Å; T411-E486 PolarHBondContact OG1-OE1 3.41Å; T411-E486 PolarHBondContact OG1-OE2 3.09Å; P482-E486 HydrophobicContact CB-CB 4.01Å; P482-E486 HydrophobicContact CB-CG 4.33Å; D483-E486 VanDerWaalsContact O-CB 3.31Å; D483-E486 WeakPolarHBondContact O-CB 3.27Å; D483-E486 PolarHBondContact O-N 3.34Å; E486-P488 WeakPolarHBondContact O-CD 3.45Å
487	I	86.3	Confident	89.9	Confident	77 Å²	77	65.2 Å²	65.2	40%	0.395	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-78.3	121	176.9	-53.7	176	0	0	0	108.8
488	P	86.7	Confident	90	Very high	76 Å²	76	65.8 Å²	65.8	49%	0.494	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-59.6	162.1	172.9	-22.1	33.6	0	0	0	112.5	P482 E486	P482-P488 HydrophobicContact CG-CB 4.31Å; P482-P488 HydrophobicContact CG-CG 4.22Å; E486-P488 WeakPolarHBondContact O-CD 3.45Å
489	C	89	Confident	90.1	Very high	25 Å²	25	67.2 Å²	67.2	17%	0.169	38%	0.376	C	S	.	.			trans	-86.2	113.4	171.1	-157.5	0	0	0	0	109.8	K455 F480	K455-C489 HydrophobicContact CB-CB 4.08Å; K455-C489 HydrophobicContact CD-CB 4.47Å; K455-C489 HydrophobicContact CG-CB 4.19Å; F480-C489 HydrophobicContact CD1-CB 4.42Å
490	D	91.6	Very high	90.3	Very high	96 Å²	96	68.4 Å²	68.4	51%	0.513	38%	0.375	S	S	.	.			trans	-66.8	137.1	171.9	-62.6	-48.3	0	0	0	110	D492 V493 V494	D490-D492 HydrophobicContact CB-CB 4.32Å; D490-D492 PolarHBondContact O-N 3.11Å; D490-D492 VanDerWaalsContact O-N 3.08Å; D490-V493 HydrophobicContact CB-CG2 4.22Å; D490-V493 WeakPolarHBondContact O-CA 3.47Å; D490-V493 WeakPolarHBondContact O-CB 3.49Å; D490-V493 PolarHBondContact O-N 3.09Å; D490-V494 PolarHBondContact O-N 3.46Å
491	D	92.1	Very high	90.4	Very high	138 Å²	138	67.8 Å²	67.8	74%	0.738	37%	0.373	S	S	*	.	H	α-helix	trans	-48.6	-39.5	170.8	-65.4	-41.3	0	0	0	111.4	V493 V494 D495	D491-V493 PolarHBondContact O-N 3.35Å; D491-V494 WeakPolarHBondContact O-CB 3.5Å; D491-V494 PolarHBondContact O-N 3.46Å; D491-V494 VanDerWaalsContact O-N 3.07Å; D491-D495 VanDerWaalsContact O-CB 3.31Å; D491-D495 WeakPolarHBondContact O-CB 3.44Å; D491-D495 PolarHBondContact O-N 3.38Å
492	D	92.8	Very high	90.6	Very high	99 Å²	99	67.7 Å²	67.7	53%	0.529	37%	0.372	S	S	.	.	H	α-helix	trans	-60.9	-27.8	179	-158.7	54.9	0	0	0	112.6	D490 R496	D490-D492 HydrophobicContact CB-CB 4.32Å; D490-D492 PolarHBondContact O-N 3.11Å; D490-D492 VanDerWaalsContact O-N 3.08Å; D492-R496 VanDerWaalsContact C-CZ 3.49Å; D492-R496 VanDerWaalsContact CG-NH1 3.25Å; D492-R496 WeakPolarHBondContact O-CG 3.35Å; D492-R496 PolarHBondContact O-NE 2.93Å; D492-R496 VanDerWaalsContact O-NE 3.14Å; D492-R496 PolarHBondContact O-NH1 3.47Å; D492-R496 VanDerWaalsContact O-NH1 3.09Å; D492-R496 PolarHBondContact O-NH2 3.35Å; D492-R496 IonicContact OD1-NH1 2.71Å; D492-R496 IonicContact OD2-CZ 3.84Å; D492-R496 IonicContact OD2-NH1 2.75Å; D492-R496 PolarHBondContact OD2-NH1 3.35Å; D492-R496 IonicContact OD2-NH2 3.09Å; D492-R496 PolarHBondContact OD2-NH2 2.96Å
493	V	92.5	Very high	90.7	Very high	2 Å²	2	72 Å²	72	1%	0.012	39%	0.385	C	S	.	.	H	α-helix	trans	-78.6	-48.2	169.1	174.2	0	0	0	0	111	V458 L461 D490 D491 D495 R496 I497	V458-V493 HydrophobicContact CG2-CG1 4.35Å; V458-V493 HydrophobicContact CG2-CG2 4.21Å; L461-V493 HydrophobicContact CD1-CG1 3.61Å; D490-V493 HydrophobicContact CB-CG2 4.22Å; D490-V493 WeakPolarHBondContact O-CA 3.47Å; D490-V493 WeakPolarHBondContact O-CB 3.49Å; D490-V493 PolarHBondContact O-N 3.09Å; D491-V493 PolarHBondContact O-N 3.35Å; V493-D495 PolarHBondContact O-N 3.22Å; V493-R496 WeakPolarHBondContact O-CA 3.1Å; V493-R496 WeakPolarHBondContact O-CB 3.28Å; V493-R496 PolarHBondContact O-N 2.85Å; V493-I497 HydrophobicContact CG1-CG1 4.18Å; V493-I497 WeakPolarHBondContact O-CG1 3.35Å; V493-I497 PolarHBondContact O-N 3.43Å
494	V	94.3	Very high	90.9	Very high	11 Å²	11	71.7 Å²	71.7	7%	0.067	38%	0.382	C	S	.	.	H	α-helix	trans	-52.4	-46.8	178.5	-172.3	0	0	0	0	110.4	V474 L477 D490 D491 R496 I497 C498	V474-V494 HydrophobicContact CB-CG1 4.43Å; V474-V494 HydrophobicContact CG1-CG1 4.46Å; V474-V494 HydrophobicContact CG2-CG1 4.17Å; L477-V494 HydrophobicContact CB-CG1 4.14Å; L477-V494 HydrophobicContact CB-CG2 3.86Å; D490-V494 PolarHBondContact O-N 3.46Å; D491-V494 WeakPolarHBondContact O-CB 3.5Å; D491-V494 PolarHBondContact O-N 3.46Å; D491-V494 VanDerWaalsContact O-N 3.07Å; V494-R496 VanDerWaalsContact C-N 3.25Å; V494-R496 PolarHBondContact O-N 3.49Å; V494-I497 PolarHBondContact O-N 2.99Å; V494-C498 VanDerWaalsContact O-CB 3.23Å; V494-C498 WeakPolarHBondContact O-CB 3.2Å; V494-C498 PolarHBondContact O-N 3.39Å
495	D	94.8	Very high	91.4	Very high	85 Å²	85	63.3 Å²	63.3	46%	0.455	34%	0.338	S	S	.	.	H	α-helix	trans	-66.2	-24.4	-178.9	-155.4	65.9	0	0	0	113	D491 V493 R499	D491-D495 VanDerWaalsContact O-CB 3.31Å; D491-D495 WeakPolarHBondContact O-CB 3.44Å; D491-D495 PolarHBondContact O-N 3.38Å; V493-D495 PolarHBondContact O-N 3.22Å; D495-R499 WeakPolarHBondContact O-CB 3.32Å; D495-R499 WeakPolarHBondContact O-CG 3.31Å; D495-R499 PolarHBondContact O-N 3.25Å; D495-R499 PolarHBondContact O-NE 3.11Å; D495-R499 IonicContact OD2-CZ 3.25Å; D495-R499 IonicContact OD2-NE 3.3Å; D495-R499 PolarHBondContact OD2-NE 3.17Å; D495-R499 IonicContact OD2-NH2 2.87Å; D495-R499 PolarHBondContact OD2-NH2 3.21Å
496	R	94.2	Very high	92	Very high	92 Å²	92	60 Å²	60	35%	0.347	30%	0.3	S	S	.	.	H	α-helix	trans	-80.2	-41.5	172.2	-77.3	-176.5	-73.9	-94.2	5.5	113.1	V458 D492 V493 V494 L500	V458-R496 HydrophobicContact CG1-CB 4.12Å; D492-R496 VanDerWaalsContact C-CZ 3.49Å; D492-R496 VanDerWaalsContact CG-NH1 3.25Å; D492-R496 WeakPolarHBondContact O-CG 3.35Å; D492-R496 PolarHBondContact O-NE 2.93Å; D492-R496 VanDerWaalsContact O-NE 3.14Å; D492-R496 PolarHBondContact O-NH1 3.47Å; D492-R496 VanDerWaalsContact O-NH1 3.09Å; D492-R496 PolarHBondContact O-NH2 3.35Å; D492-R496 IonicContact OD1-NH1 2.71Å; D492-R496 IonicContact OD2-CZ 3.84Å; D492-R496 IonicContact OD2-NH1 2.75Å; D492-R496 PolarHBondContact OD2-NH1 3.35Å; D492-R496 IonicContact OD2-NH2 3.09Å; D492-R496 PolarHBondContact OD2-NH2 2.96Å; V493-R496 WeakPolarHBondContact O-CA 3.1Å; V493-R496 WeakPolarHBondContact O-CB 3.28Å; V493-R496 PolarHBondContact O-N 2.85Å; V494-R496 VanDerWaalsContact C-N 3.25Å; V494-R496 PolarHBondContact O-N 3.49Å; R496-L500 PolarHBondContact O-N 3.44Å
497	I	94.9	Very high	92.2	Very high	2 Å²	2	62.5 Å²	62.5	1%	0.01	31%	0.31	C	S	.	.	H	α-helix	trans	-75.1	-37	-180	-50.3	-55.3	0	0	0	110.6	V458 L461 C465 V473 L477 V493 V494 R499 L500 A501	V458-I497 HydrophobicContact CB-CD1 4.47Å; V458-I497 HydrophobicContact CG1-CD1 3.72Å; V458-I497 WeakPolarHBondContact O-CD1 3.5Å; L461-I497 HydrophobicContact CB-CD1 3.76Å; L461-I497 HydrophobicContact CB-CG1 4.05Å; L461-I497 HydrophobicContact CD1-CG1 4.49Å; C465-I497 WeakPolarHBondContact SG-CG2 3.49Å; V473-I497 HydrophobicContact CG1-CB 3.99Å; V473-I497 HydrophobicContact CG1-CG2 3.62Å; L477-I497 HydrophobicContact CD1-CB 4.2Å; L477-I497 HydrophobicContact CD1-CG1 4.34Å; L477-I497 HydrophobicContact CD1-CG2 4.48Å; V493-I497 HydrophobicContact CG1-CG1 4.18Å; V493-I497 WeakPolarHBondContact O-CG1 3.35Å; V493-I497 PolarHBondContact O-N 3.43Å; V494-I497 PolarHBondContact O-N 2.99Å; I497-R499 PolarHBondContact O-N 3.22Å; I497-L500 WeakPolarHBondContact O-CB 3.47Å; I497-L500 PolarHBondContact O-N 2.9Å; I497-A501 PolarHBondContact O-N 3.43Å
498	C	95	Very high	92.2	Very high	16 Å²	16	62 Å²	62	11%	0.108	31%	0.307	C	S	.	.	H	α-helix	trans	-53.7	-52.7	170.3	-178	0	0	0	0	111.3	V474 V494 L500 A501 E502	V474-C498 HydrophobicContact CG2-CB 3.76Å; V474-C498 VanDerWaalsContact CG2-SG 3.59Å; V494-C498 VanDerWaalsContact O-CB 3.23Å; V494-C498 WeakPolarHBondContact O-CB 3.2Å; V494-C498 PolarHBondContact O-N 3.39Å; C498-L500 PolarHBondContact O-N 2.8Å; C498-A501 PolarHBondContact O-N 3.31Å; C498-E502 WeakPolarHBondContact O-CG 3.32Å; C498-E502 PolarHBondContact O-N 2.78Å
499	R	94.3	Very high	92.2	Very high	112 Å²	112	59 Å²	59	42%	0.423	29%	0.288	S	S	.	.	H	α-helix	trans	-67.5	-0.5	176.6	-72.5	-177	-75.8	168.6	-8	115.3	D495 I497 E502 K503	D495-R499 WeakPolarHBondContact O-CB 3.32Å; D495-R499 WeakPolarHBondContact O-CG 3.31Å; D495-R499 PolarHBondContact O-N 3.25Å; D495-R499 PolarHBondContact O-NE 3.11Å; D495-R499 IonicContact OD2-CZ 3.25Å; D495-R499 IonicContact OD2-NE 3.3Å; D495-R499 PolarHBondContact OD2-NE 3.17Å; D495-R499 IonicContact OD2-NH2 2.87Å; D495-R499 PolarHBondContact OD2-NH2 3.21Å; I497-R499 PolarHBondContact O-N 3.22Å; R499-E502 WeakPolarHBondContact CA-OE2 3.47Å; R499-E502 WeakPolarHBondContact CG-OE2 3.49Å; R499-K503 WeakPolarHBondContact O-CD 3.32Å; R499-K503 WeakPolarHBondContact O-CE 3.29Å; R499-K503 PolarHBondContact O-NZ 3Å
500	L	92.9	Very high	92.2	Very high	57 Å²	57	63.1 Å²	63.1	30%	0.298	31%	0.308	S	S	.	.	H	α-helix	trans	-97	-45.8	166	-178.5	65.1	0	0	0	110.5	G462 R496 I497 C498 E502 K503 Q504	G462-L500 VanDerWaalsContact CA-CD2 3.48Å; G462-L500 WeakPolarHBondContact O-CD2 3.48Å; R496-L500 PolarHBondContact O-N 3.44Å; I497-L500 WeakPolarHBondContact O-CB 3.47Å; I497-L500 PolarHBondContact O-N 2.9Å; C498-L500 PolarHBondContact O-N 2.8Å; L500-E502 PolarHBondContact O-N 2.77Å; L500-K503 PolarHBondContact O-N 2.83Å; L500-K503 VanDerWaalsContact O-N 3.14Å; L500-Q504 PolarHBondContact O-N 3.42Å
501	A	94.6	Very high	92.1	Very high	3 Å²	3	64.5 Å²	64.5	3%	0.025	31%	0.311	C	S	.	.	H	α-helix	trans	-58	-45.9	174.9	0	0	0	0	0	112.3	V473 I497 C498 K503 Q504 A505 D506	V473-A501 HydrophobicContact CB-CB 4.48Å; V473-A501 HydrophobicContact CG2-CB 4.05Å; I497-A501 PolarHBondContact O-N 3.43Å; C498-A501 PolarHBondContact O-N 3.31Å; A501-K503 PolarHBondContact O-N 2.98Å; A501-K503 VanDerWaalsContact O-N 3.14Å; A501-Q504 CarbonylContact O-C 3.54Å; A501-Q504 PolarHBondContact O-N 2.81Å; A501-A505 PolarHBondContact O-N 3.25Å; A501-D506 PolarHBondContact O-N 2.73Å; A501-D506 VanDerWaalsContact O-N 3.08Å
502	E	94.4	Very high	91.6	Very high	94 Å²	94	60.9 Å²	60.9	44%	0.439	29%	0.292	S	S	.	.	I	π-helix	trans	-49.3	-40.5	172.9	-73.8	179.1	154.8	0	0	113.1	C498 R499 L500	C498-E502 WeakPolarHBondContact O-CG 3.32Å; C498-E502 PolarHBondContact O-N 2.78Å; R499-E502 WeakPolarHBondContact CA-OE2 3.47Å; R499-E502 WeakPolarHBondContact CG-OE2 3.49Å; L500-E502 PolarHBondContact O-N 2.77Å
503	K	91.2	Very high	91.1	Very high	144 Å²	144	59.3 Å²	59.3	63%	0.626	30%	0.298	S	S	*	.	I	π-helix	trans	-85.1	-15.6	-175	-67	177.4	-171.4	128.7	0	113.4	R499 L500 A501	R499-K503 WeakPolarHBondContact O-CD 3.32Å; R499-K503 WeakPolarHBondContact O-CE 3.29Å; R499-K503 PolarHBondContact O-NZ 3Å; L500-K503 PolarHBondContact O-N 2.83Å; L500-K503 VanDerWaalsContact O-N 3.14Å; A501-K503 PolarHBondContact O-N 2.98Å; A501-K503 VanDerWaalsContact O-N 3.14Å
504	Q	88.8	Confident	90.8	Very high	59 Å²	59	64.1 Å²	64.1	28%	0.276	32%	0.321	S	S	.	.	I	π-helix	trans	-121.5	-73.4	-173.2	-176.7	166.7	-3.5	0	0	111.3	L500 A501 L508	L500-Q504 PolarHBondContact O-N 3.42Å; A501-Q504 CarbonylContact O-C 3.54Å; A501-Q504 PolarHBondContact O-N 2.81Å; Q504-L508 HydrophobicContact CG-CD1 4.45Å; Q504-L508 WeakPolarHBondContact O-CB 3.18Å; Q504-L508 WeakPolarHBondContact O-CD1 3.32Å; Q504-L508 WeakPolarHBondContact O-CG 3.31Å; Q504-L508 PolarHBondContact O-N 2.83Å
505	A	90.6	Very high	90.5	Very high	5 Å²	5	72.6 Å²	72.6	4%	0.041	35%	0.352	C	S	.	.	I	π-helix	trans	-69.3	-45.3	-174.5	0	0	0	0	0	112.9	L468 A501 L508 T509	L468-A505 WeakPolarHBondContact O-CB 3.49Å; A501-A505 PolarHBondContact O-N 3.25Å; A505-L508 PolarHBondContact O-N 2.82Å; A505-T509 WeakPolarHBondContact O-CB 3.49Å; A505-T509 PolarHBondContact O-N 2.8Å; A505-T509 PolarHBondContact O-OG1 2.78Å
506	D	94.1	Very high	90.4	Very high	17 Å²	17	70.4 Å²	70.4	9%	0.091	34%	0.341	C	S	.	.	I	π-helix	trans	-66.1	-45.7	179.1	-64.3	35.7	0	0	0	110.4	N469 S470 A501 L508 T509 L510 V516	N469-D506 VanDerWaalsContact CA-OD1 3.23Å; N469-D506 WeakPolarHBondContact CA-OD1 3.3Å; N469-D506 VanDerWaalsContact CB-OD1 3.31Å; N469-D506 WeakPolarHBondContact CB-OD1 3.32Å; S470-D506 VanDerWaalsContact CB-OD2 3.24Å; S470-D506 WeakPolarHBondContact CB-OD2 3.06Å; S470-D506 PolarHBondContact N-OD1 2.93Å; S470-D506 PolarHBondContact OG-OD2 3.39Å; A501-D506 PolarHBondContact O-N 2.73Å; A501-D506 VanDerWaalsContact O-N 3.08Å; D506-L508 VanDerWaalsContact C-N 3.35Å; D506-L508 PolarHBondContact O-N 3.18Å; D506-T509 WeakPolarHBondContact O-CB 3.45Å; D506-T509 PolarHBondContact O-N 3.05Å; D506-T509 VanDerWaalsContact O-N 3.16Å; D506-L510 WeakPolarHBondContact O-CB 3.48Å; D506-L510 VanDerWaalsContact O-CG 3.31Å; D506-L510 WeakPolarHBondContact O-CG 3.43Å; D506-L510 PolarHBondContact O-N 2.79Å; D506-V516 HydrophobicContact CB-CG2 4.08Å
507	K	90.4	Very high	90.3	Very high	102 Å²	102	69.2 Å²	69.2	44%	0.443	34%	0.344	S	S	.	.	H	α-helix	trans	-56.6	-46.9	176	-176.2	178.6	173.5	-68.9	0	111.6	L510 E511	K507-L510 PolarHBondContact O-N 3.46Å; K507-E511 WeakPolarHBondContact CE-OE1 3.39Å; K507-E511 IonicContact NZ-OE1 3.72Å; K507-E511 PolarHBondContact NZ-OE1 2.74Å; K507-E511 IonicContact NZ-OE2 2.9Å; K507-E511 PolarHBondContact NZ-OE2 2.85Å; K507-E511 WeakPolarHBondContact O-CB 3.19Å; K507-E511 VanDerWaalsContact O-CG 3.3Å; K507-E511 WeakPolarHBondContact O-CG 3.35Å; K507-E511 PolarHBondContact O-N 2.69Å
508	L	86.8	Confident	90.1	Very high	67 Å²	67	71 Å²	71	35%	0.351	35%	0.354	S	S	.	.	H	α-helix	trans	-64.9	-40.1	175.8	-73.4	168.8	0	0	0	112.2	Q504 A505 D506 L510 E511 D512	Q504-L508 HydrophobicContact CG-CD1 4.45Å; Q504-L508 WeakPolarHBondContact O-CB 3.18Å; Q504-L508 WeakPolarHBondContact O-CD1 3.32Å; Q504-L508 WeakPolarHBondContact O-CG 3.31Å; Q504-L508 PolarHBondContact O-N 2.83Å; A505-L508 PolarHBondContact O-N 2.82Å; D506-L508 VanDerWaalsContact C-N 3.35Å; D506-L508 PolarHBondContact O-N 3.18Å; L508-L510 VanDerWaalsContact C-N 3.33Å; L508-L510 PolarHBondContact O-N 3.48Å; L508-E511 PolarHBondContact O-N 3.23Å; L508-D512 PolarHBondContact O-N 3.44Å
509	T	87	Confident	90	Very high	13 Å²	13	74.2 Å²	74.2	8%	0.08	37%	0.367	C	S	.	.	H	α-helix	trans	-61.2	-43.1	177.5	-57	0	0	0	0	111	A505 D506 D512 G513 Q514 V516	A505-T509 WeakPolarHBondContact O-CB 3.49Å; A505-T509 PolarHBondContact O-N 2.8Å; A505-T509 PolarHBondContact O-OG1 2.78Å; D506-T509 WeakPolarHBondContact O-CB 3.45Å; D506-T509 PolarHBondContact O-N 3.05Å; D506-T509 VanDerWaalsContact O-N 3.16Å; T509-D512 PolarHBondContact O-N 2.82Å; T509-G513 PolarHBondContact O-N 3.06Å; T509-Q514 HydrophobicContact CG2-CB 3.73Å; T509-Q514 WeakPolarHBondContact O-CA 3.15Å; T509-Q514 WeakPolarHBondContact O-CB 3.35Å; T509-Q514 PolarHBondContact O-N 3.09Å; T509-V516 HydrophobicContact CG2-CG2 4.28Å
510	L	89.8	Confident	89.8	Confident	112 Å²	112	69.9 Å²	69.9	59%	0.586	35%	0.351	S	S	*	.	H	α-helix	trans	-71.3	-34.2	176.3	-67.4	168.4	0	0	0	112.7	D506 K507 L508 G513 V516	D506-L510 WeakPolarHBondContact O-CB 3.48Å; D506-L510 VanDerWaalsContact O-CG 3.31Å; D506-L510 WeakPolarHBondContact O-CG 3.43Å; D506-L510 PolarHBondContact O-N 2.79Å; K507-L510 PolarHBondContact O-N 3.46Å; L508-L510 VanDerWaalsContact C-N 3.33Å; L508-L510 PolarHBondContact O-N 3.48Å; L510-G513 PolarHBondContact O-N 2.98Å; L510-G513 VanDerWaalsContact O-N 3.11Å; L510-V516 HydrophobicContact CG-CG2 4.36Å
511	E	88.3	Confident	89.6	Confident	124 Å²	124	70.4 Å²	70.4	58%	0.579	36%	0.36	S	S	*	.	H	α-helix	trans	-69.4	-32.9	174	-76.7	175.9	148.2	0	0	112.5	K507 L508 G513	K507-E511 WeakPolarHBondContact CE-OE1 3.39Å; K507-E511 IonicContact NZ-OE1 3.72Å; K507-E511 PolarHBondContact NZ-OE1 2.74Å; K507-E511 IonicContact NZ-OE2 2.9Å; K507-E511 PolarHBondContact NZ-OE2 2.85Å; K507-E511 WeakPolarHBondContact O-CB 3.19Å; K507-E511 VanDerWaalsContact O-CG 3.3Å; K507-E511 WeakPolarHBondContact O-CG 3.35Å; K507-E511 PolarHBondContact O-N 2.69Å; L508-E511 PolarHBondContact O-N 3.23Å; E511-G513 PolarHBondContact O-N 3.48Å
512	D	81.3	Confident	89.2	Confident	63 Å²	63	73.3 Å²	73.3	34%	0.337	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	1	168.9	-107.9	29.6	0	0	0	112.8	L508 T509 Q514 S867 H871	L508-D512 PolarHBondContact O-N 3.44Å; T509-D512 PolarHBondContact O-N 2.82Å; D512-Q514 VanDerWaalsContact C-N 3.29Å; D512-Q514 PolarHBondContact O-N 3.2Å; D512-S867 WeakPolarHBondContact OD2-CB 3.38Å; D512-S867 PolarHBondContact OD2-OG 3.09Å; D512-H871 IonicContact OD2-CE1 3.43Å
513	G	84.1	Confident	88.8	Confident	65 Å²	65	76 Å²	76	67%	0.67	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.8	13.3	179.4	0	0	0	0	0	114.8	T509 L510 E511	T509-G513 PolarHBondContact O-N 3.06Å; L510-G513 PolarHBondContact O-N 2.98Å; L510-G513 VanDerWaalsContact O-N 3.11Å; E511-G513 PolarHBondContact O-N 3.48Å
514	Q	85.1	Confident	88.6	Confident	103 Å²	103	70.2 Å²	70.2	48%	0.481	36%	0.363	S	S	.	.			trans	-91.2	154.1	179.4	-61.9	-174.2	-0.3	0	0	111.4	T509 D512	T509-Q514 HydrophobicContact CG2-CB 3.73Å; T509-Q514 WeakPolarHBondContact O-CA 3.15Å; T509-Q514 WeakPolarHBondContact O-CB 3.35Å; T509-Q514 PolarHBondContact O-N 3.09Å; D512-Q514 VanDerWaalsContact C-N 3.29Å; D512-Q514 PolarHBondContact O-N 3.2Å
515	R	88.4	Confident	88.2	Confident	190 Å²	190	73.3 Å²	73.3	72%	0.717	38%	0.382	S	S	*	.			trans	-84.1	141.8	171.5	-63.5	-176.3	-175.8	-129.6	4.1	109.3	T517	R515-T517 PolarHBondContact O-N 3.42Å
516	V	91.4	Very high	87.7	Confident	39 Å²	39	74.5 Å²	74.5	24%	0.236	39%	0.388	C	S	.	.			trans	-70	115.2	172	-178.3	0	0	0	0	108.7	N469 L471 D506 T509 L510	N469-V516 HydrophobicContact CB-CG1 3.76Å; L471-V516 HydrophobicContact CD1-CG1 3.97Å; L471-V516 HydrophobicContact CG-CG1 4.04Å; D506-V516 HydrophobicContact CB-CG2 4.08Å; T509-V516 HydrophobicContact CG2-CG2 4.28Å; L510-V516 HydrophobicContact CG-CG2 4.36Å
517	T	92.5	Very high	87.1	Confident	67 Å²	67	77.6 Å²	77.6	41%	0.411	41%	0.409	S	S	.	.			trans	-121.2	151.7	179.8	56.5	0	0	0	0	111.1	N469 R515 E519	N469-T517 PolarHBondContact ND2-O 3.39Å; R515-T517 PolarHBondContact O-N 3.42Å; T517-E519 PolarHBondContact OG1-O 3.3Å
518	L	91.8	Very high	87	Confident	39 Å²	39	74.5 Å²	74.5	20%	0.204	40%	0.395	C	S	.	.	S	Bend	trans	-69.1	-53.8	173.2	-177.4	60.4	0	0	0	110.7	V400 V402 L471 Q472 H475	V400-L518 HydrophobicContact CB-CD1 3.93Å; V400-L518 HydrophobicContact CB-CG 3.99Å; V400-L518 HydrophobicContact CG1-CD1 4.35Å; V400-L518 HydrophobicContact CG2-CD1 4.42Å; V400-L518 HydrophobicContact CG2-CG 4.1Å; V400-L518 WeakPolarHBondContact O-CD2 3.09Å; V402-L518 HydrophobicContact CG2-CD2 3.81Å; L471-L518 HydrophobicContact CB-CD1 4.36Å; Q472-L518 HydrophobicContact CG-CD1 4.37Å; Q472-L518 WeakPolarHBondContact CG-O 3.26Å; Q472-L518 PolarHBondContact NE2-O 3.32Å; H475-L518 HydrophobicContact CB-CD1 3.74Å
519	E	91.7	Very high	87	Confident	83 Å²	83	76.1 Å²	76.1	39%	0.388	40%	0.403	S	S	.	.	S	Bend	trans	-84.8	151.2	179.7	-67.4	177.4	-176.3	0	0	112.4	N397 V400 T517	N397-E519 HydrophobicContact CB-CG 4.4Å; V400-E519 HydrophobicContact CG2-CG 4.15Å; T517-E519 PolarHBondContact OG1-O 3.3Å
520	E	90.4	Very high	86.9	Confident	21 Å²	21	77.7 Å²	77.7	10%	0.098	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-74.4	150.9	168.1	-61.8	-59.3	123.3	0	0	111.4	A393 F396 N397 R443 Q472 D522	A393-E520 HydrophobicContact CB-CB 4.22Å; F396-E520 HydrophobicContact CB-CG 4.16Å; F396-E520 HydrophobicContact CD1-CG 3.63Å; F396-E520 HydrophobicContact CE1-CG 4.3Å; F396-E520 HydrophobicContact CG-CG 4Å; N397-E520 PolarHBondContact ND2-O 3.21Å; N397-E520 WeakPolarHBondContact OD1-CB 3.43Å; N397-E520 PolarHBondContact OD1-N 3.08Å; R443-E520 WeakPolarHBondContact CD-OE1 3.37Å; R443-E520 WeakPolarHBondContact CD-OE2 3.43Å; R443-E520 IonicContact CZ-OE1 2.69Å; R443-E520 IonicContact CZ-OE2 3.75Å; R443-E520 IonicContact NE-OE1 3.81Å; R443-E520 IonicContact NE-OE2 2.98Å; R443-E520 IonicContact NH1-OE1 3.48Å; R443-E520 PolarHBondContact NH1-OE1 3.33Å; R443-E520 IonicContact NH1-OE2 3.74Å; R443-E520 PolarHBondContact NH1-OE2 2.98Å; Q472-E520 PolarHBondContact NE2-OE1 3.11Å; E520-D522 PolarHBondContact O-N 2.89Å
521	S	89.9	Confident	86.5	Confident	68 Å²	68	73.2 Å²	73.2	48%	0.476	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-67.1	127.4	171.6	-64.8	0	0	0	0	111.1	H389 E523	H389-S521 PolarHBondContact NE2-O 2.97Å; S521-E523 WeakPolarHBondContact CB-O 3.4Å; S521-E523 PolarHBondContact O-N 2.83Å
522	D	85.9	Confident	85.9	Confident	65 Å²	65	75.5 Å²	75.5	35%	0.348	40%	0.399	S	S	.	.	S	Bend	trans	-63.8	-27.1	175.9	-128.7	6.7	0	0	0	112.4	R339 E520	R339-D522 IonicContact CZ-OD1 2.68Å; R339-D522 IonicContact CZ-OD2 3.22Å; R339-D522 IonicContact NH1-OD2 2.94Å; R339-D522 IonicContact NH2-OD1 3.73Å; R339-D522 PolarHBondContact NH2-OD1 3.22Å; R339-D522 IonicContact NH2-OD2 2.66Å; R339-D522 PolarHBondContact NH2-OD2 3.41Å; E520-D522 PolarHBondContact O-N 2.89Å
523	E	84.8	Confident	85.7	Confident	149 Å²	149	77.8 Å²	77.8	70%	0.696	41%	0.411	S	S	*	.	S	Bend	trans	-98.8	133.5	174	-63.3	-171.9	173.8	0	0	111.4	S521 N525	S521-E523 WeakPolarHBondContact CB-O 3.4Å; S521-E523 PolarHBondContact O-N 2.83Å; E523-N525 PolarHBondContact O-N 2.96Å
524	L	88.4	Confident	85	Confident	23 Å²	23	75.7 Å²	75.7	12%	0.12	39%	0.39	C	S	.	.			trans	-81.3	105.8	173.2	179.8	54.8	0	0	0	109.5	H389 L526	H389-L524 HydrophobicContact CB-CB 4.22Å; H389-L524 HydrophobicContact CB-CD1 4.37Å; H389-L524 HydrophobicContact CB-CD2 3.9Å; H389-L524 HydrophobicContact CB-CG 4.39Å; L524-L526 HydrophobicContact CD1-CG 4.43Å; L524-L526 HydrophobicContact CD2-CD1 3.61Å; L524-L526 HydrophobicContact CD2-CG 4.22Å; L524-L526 HydrophobicContact CG-CB 4.32Å; L524-L526 HydrophobicContact CG-CD1 3.97Å; L524-L526 HydrophobicContact CG-CG 4.02Å; L524-L526 PolarHBondContact O-N 2.85Å
525	N	80	Confident	84.2	Confident	125 Å²	125	74.6 Å²	74.6	67%	0.668	38%	0.382	S	S	*	.			trans	-73.5	65.7	179.4	-74.7	-63.7	0	0	0	112.5	E523	E523-N525 PolarHBondContact O-N 2.96Å
526	L	78.9	Confident	83.2	Confident	30 Å²	30	67.8 Å²	67.8	16%	0.157	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-98.6	132.9	172.6	-97.4	175.5	0	0	0	110.9	L524 F528 P866 H868 Y869	L524-L526 HydrophobicContact CD1-CG 4.43Å; L524-L526 HydrophobicContact CD2-CD1 3.61Å; L524-L526 HydrophobicContact CD2-CG 4.22Å; L524-L526 HydrophobicContact CG-CB 4.32Å; L524-L526 HydrophobicContact CG-CD1 3.97Å; L524-L526 HydrophobicContact CG-CG 4.02Å; L524-L526 PolarHBondContact O-N 2.85Å; L526-F528 PolarHBondContact O-N 2.83Å; L526-P866 HydrophobicContact CD2-CB 4.1Å; L526-P866 HydrophobicContact CD2-CG 3.68Å; L526-H868 VanDerWaalsContact CD2-CE1 3.42Å; L526-H868 WeakPolarHBondContact CD2-CE1 3.5Å; L526-H868 WeakPolarHBondContact CD2-NE2 3.41Å; L526-Y869 HydrophobicContact CD2-CE2 4.41Å
527	P	83.2	Confident	81.6	Confident	82 Å²	82	66.4 Å²	66.4	53%	0.532	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-59.8	124.5	159	-19.3	32.4	0	0	0	109.3	L529	P527-L529 PolarHBondContact O-N 2.78Å
528	F	87.5	Confident	79.8	Confident	37 Å²	37	69.6 Å²	69.6	16%	0.162	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-68.9	124.7	177.3	178.6	-112.4	0	0	0	110.5	I323 E324 F327 L379 L526 I530	I323-F528 HydrophobicContact CG2-CE1 3.96Å; I323-F528 HydrophobicContact CG2-CZ 3.93Å; E324-F528 HydrophobicContact CB-CD1 3.53Å; E324-F528 HydrophobicContact CB-CE1 3.76Å; E324-F528 HydrophobicContact CB-CG 4.26Å; E324-F528 HydrophobicContact CG-CB 3.95Å; E324-F528 HydrophobicContact CG-CD1 3.58Å; E324-F528 HydrophobicContact CG-CE1 4.24Å; E324-F528 HydrophobicContact CG-CG 3.82Å; F327-F528 HydrophobicContact CB-CD2 4.38Å; F327-F528 HydrophobicContact CB-CE2 3.67Å; F327-F528 HydrophobicContact CB-CZ 3.96Å; F327-F528 AromaticContact CD1-CD2 3.78Å; F327-F528 HydrophobicContact CD1-CD2 3.78Å; F327-F528 AromaticContact CD1-CE2 3.75Å; F327-F528 HydrophobicContact CD1-CE2 3.75Å; F327-F528 AromaticContact CD2-CE2 3.77Å; F327-F528 HydrophobicContact CD2-CE2 3.77Å; F327-F528 HydrophobicContact CE1-CD2 4.21Å; F327-F528 HydrophobicContact CE1-CE2 4.35Å; F327-F528 HydrophobicContact CE2-CE2 4.35Å; F327-F528 AromaticContact CG-CD2 3.98Å; F327-F528 HydrophobicContact CG-CD2 3.98Å; F327-F528 AromaticContact CG-CE2 3.43Å; F327-F528 HydrophobicContact CG-CE2 3.43Å; F327-F528 VanDerWaalsContact CG-CE2 3.43Å; F327-F528 HydrophobicContact CG-CZ 4.21Å; L379-F528 HydrophobicContact CD2-CE2 3.59Å; L379-F528 HydrophobicContact CD2-CZ 3.61Å; L526-F528 PolarHBondContact O-N 2.83Å; F528-I530 HydrophobicContact CD1-CG1 4.04Å; F528-I530 HydrophobicContact CE1-CD1 4.21Å; F528-I530 HydrophobicContact CE1-CG1 3.51Å; F528-I530 HydrophobicContact CZ-CG1 4.32Å
529	L	87.4	Confident	78	Confident	100 Å²	100	74.7 Å²	74.7	52%	0.524	38%	0.382	S	S	.	.			trans	-108	111.6	-177.9	-60.8	-178.3	0	0	0	110.5	Q382 P527	Q382-L529 PolarHBondContact NE2-O 2.67Å; P527-L529 PolarHBondContact O-N 2.78Å
530	I	84.9	Confident	76.3	Confident	47 Å²	47	74.8 Å²	74.8	24%	0.241	38%	0.381	C	S	.	.			trans	-74.4	129.8	169.4	-64.7	175.1	0	0	0	108.5	S320 I323 F528 Q532	S320-I530 VanDerWaalsContact CA-CD1 3.47Å; I323-I530 HydrophobicContact CD1-CD1 4.5Å; I323-I530 HydrophobicContact CG2-CG1 4.49Å; F528-I530 HydrophobicContact CD1-CG1 4.04Å; F528-I530 HydrophobicContact CE1-CD1 4.21Å; F528-I530 HydrophobicContact CE1-CG1 3.51Å; F528-I530 HydrophobicContact CZ-CG1 4.32Å; I530-Q532 PolarHBondContact O-N 2.68Å
531	P	81.6	Confident	74.7	Confident	18 Å²	18	85.6 Å²	85.6	12%	0.117	42%	0.421	C	S	.	.			trans	-60.5	132.4	174	-19.5	30.6	0	0	0	111	N376 A378 L379	N376-P531 HydrophobicContact CB-CB 4.18Å; N376-P531 HydrophobicContact CB-CG 3.75Å; N376-P531 VanDerWaalsContact CG-CB 3.44Å; N376-P531 VanDerWaalsContact CG-CG 3.42Å; N376-P531 WeakPolarHBondContact ND2-CB 3.42Å; N376-P531 WeakPolarHBondContact OD1-CB 3.29Å; N376-P531 WeakPolarHBondContact OD1-CG 3.35Å; A378-P531 HydrophobicContact CB-CG 4.35Å; L379-P531 HydrophobicContact CD1-CG 3.9Å; L379-P531 HydrophobicContact CG-CG 3.67Å
532	Q	75	Confident	73.5	Confident	172 Å²	172	87 Å²	87	80%	0.804	43%	0.427	S	S	*	.	S	Bend	trans	-77.6	-16.4	170.3	-64.3	-176	4.4	0	0	111.6	H303 I530	H303-Q532 PolarHBondContact CE1-O 3.16Å; H303-Q532 PolarHBondContact ND1-O 3.17Å; I530-Q532 PolarHBondContact O-N 2.68Å
533	D	77.3	Confident	73	Confident	110 Å²	110	85.1 Å²	85.1	59%	0.588	42%	0.418	S	S	*	.	S	Bend	trans	-102.7	135.9	-179.5	-47	-57.5	0	0	0	111.4	N376	N376-D533 PolarHBondContact ND2-O 3.45Å
534	G	69.3	Low	72.9	Confident	21 Å²	21	79 Å²	79	22%	0.216	39%	0.392	C	S	.	.			trans	-79.6	165.7	175.3	0	0	0	0	0	111.6	E300 H303	E300-G534 WeakPolarHBondContact OE2-CA 3.29Å; H303-G534 WeakPolarHBondContact CD2-CA 3.47Å; H303-G534 PolarHBondContact CD2-N 2.76Å; H303-G534 PolarHBondContact CE1-N 3.09Å; H303-G534 PolarHBondContact ND1-N 2.94Å; H303-G534 PolarHBondContact NE2-N 2.8Å; H303-G534 VanDerWaalsContact NE2-N 3.11Å
535	Y	68.3	Low	72.5	Confident	81 Å²	81	83.9 Å²	83.9	32%	0.318	42%	0.417	S	S	.	.	S	Bend	trans	-76.4	-40.9	178.6	-168.3	-102.5	0	0	0	112.3	L246 E300 G374	L246-Y535 HydrophobicContact CD1-CD1 3.73Å; L246-Y535 HydrophobicContact CD1-CG 4.16Å; E300-Y535 PolarHBondContact OE2-N 3.05Å; G374-Y535 VanDerWaalsContact CA-CE1 3.42Å; G374-Y535 WeakPolarHBondContact O-CB 3.23Å; G374-Y535 WeakPolarHBondContact O-CD2 3.27Å
536	F	67.7	Low	72.7	Confident	46 Å²	46	78.2 Å²	78.2	20%	0.202	39%	0.389	C	S	.	.	S	Bend	trans	-121.4	-23.3	-172.1	-111.7	-136.8	0	0	0	115.4	F244 Y250 E300 E538 Q539 F540 P544	F244-F536 HydrophobicContact CD2-CD1 4.34Å; F244-F536 AromaticContact CD2-CE1 3.96Å; F244-F536 HydrophobicContact CD2-CE1 3.96Å; F244-F536 AromaticContact CE2-CD1 3.29Å; F244-F536 HydrophobicContact CE2-CD1 3.29Å; F244-F536 AromaticContact CE2-CE1 3.31Å; F244-F536 HydrophobicContact CE2-CE1 3.31Å; F244-F536 AromaticContact CE2-CG 3.95Å; F244-F536 HydrophobicContact CE2-CG 3.95Å; F244-F536 AromaticContact CE2-CZ 3.99Å; F244-F536 HydrophobicContact CE2-CZ 3.99Å; F244-F536 HydrophobicContact CZ-CB 4.48Å; F244-F536 AromaticContact CZ-CD1 3.6Å; F244-F536 HydrophobicContact CZ-CD1 3.6Å; F244-F536 HydrophobicContact CZ-CE1 4.07Å; F244-F536 HydrophobicContact CZ-CG 4.2Å; Y250-F536 WeakPolarHBondContact OH-CB 3.39Å; E300-F536 PolarHBondContact OE1-N 2.89Å; E300-F536 VanDerWaalsContact OE1-N 3.12Å; F536-E538 PolarHBondContact O-N 3.08Å; F536-E538 VanDerWaalsContact O-N 3.16Å; F536-Q539 PolarHBondContact O-N 3.48Å; F536-Q539 VanDerWaalsContact O-N 3.09Å; F536-F540 AromaticContact CD1-CD2 3.58Å; F536-F540 HydrophobicContact CD1-CD2 3.58Å; F536-F540 AromaticContact CD1-CE2 3.24Å; F536-F540 HydrophobicContact CD1-CE2 3.24Å; F536-F540 AromaticContact CD1-CZ 3.93Å; F536-F540 HydrophobicContact CD1-CZ 3.93Å; F536-F540 HydrophobicContact CD2-CE2 4.24Å; F536-F540 AromaticContact CE1-CD2 3.95Å; F536-F540 HydrophobicContact CE1-CD2 3.95Å; F536-F540 HydrophobicContact CE1-CE1 4.34Å; F536-F540 AromaticContact CE1-CE2 3.13Å; F536-F540 HydrophobicContact CE1-CE2 3.13Å; F536-F540 AromaticContact CE1-CZ 3.38Å; F536-F540 HydrophobicContact CE1-CZ 3.38Å; F536-F540 HydrophobicContact CE2-CE2 4.15Å; F536-F540 HydrophobicContact CG-CD2 4.08Å; F536-F540 AromaticContact CG-CE2 3.83Å; F536-F540 HydrophobicContact CG-CE2 3.83Å; F536-F540 AromaticContact CZ-CE2 3.63Å; F536-F540 HydrophobicContact CZ-CE2 3.63Å; F536-F540 AromaticContact CZ-CZ 3.87Å; F536-F540 HydrophobicContact CZ-CZ 3.87Å; F536-P544 HydrophobicContact CD1-CG 4.3Å; F536-P544 HydrophobicContact CE1-CG 4.32Å
537	V	56.5	Low	73	Confident	11 Å²	11	76.9 Å²	76.9	7%	0.067	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-41.6	-161.9	179.4	0	0	0	0	114.9	L210 Y250 L304	L210-V537 HydrophobicContact CD1-CG1 3.36Å; L210-V537 HydrophobicContact CD2-CG1 3.58Å; L210-V537 HydrophobicContact CG-CG1 4.11Å; Y250-V537 VanDerWaalsContact OH-CG2 3.29Å; Y250-V537 WeakPolarHBondContact OH-CG2 3.26Å; Y250-V537 PolarHBondContact OH-N 2.87Å; L304-V537 HydrophobicContact CD2-CG1 4.44Å; L304-V537 HydrophobicContact CD2-CG2 3.6Å; L304-V537 HydrophobicContact CG-CG2 4.12Å
538	E	54.5	Low	73.1	Confident	133 Å²	133	76 Å²	76	62%	0.621	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-12	-175.9	-59.6	-161.6	151.6	0	0	114.6	R307 F536	R307-E538 IonicContact CZ-OE1 3.16Å; R307-E538 IonicContact NH1-OE1 3.52Å; R307-E538 PolarHBondContact NH1-OE1 2.93Å; R307-E538 IonicContact NH2-OE1 3.79Å; R307-E538 PolarHBondContact NH2-OE1 3.34Å; F536-E538 PolarHBondContact O-N 3.08Å; F536-E538 VanDerWaalsContact O-N 3.16Å
539	Q	54.7	Low	73	Confident	146 Å²	146	78.5 Å²	78.5	68%	0.682	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-17.8	-170.5	-59.8	-176.3	13.5	0	0	113.2	F536	F536-Q539 PolarHBondContact O-N 3.48Å; F536-Q539 VanDerWaalsContact O-N 3.09Å
540	F	56.3	Low	73.1	Confident	85 Å²	85	74 Å²	74	37%	0.373	36%	0.356	S	S	.	.			trans	-107.9	106.7	-167.8	-82.7	-89.9	0	0	0	113.6	F536 T542 P544	F536-F540 AromaticContact CD1-CD2 3.58Å; F536-F540 HydrophobicContact CD1-CD2 3.58Å; F536-F540 AromaticContact CD1-CE2 3.24Å; F536-F540 HydrophobicContact CD1-CE2 3.24Å; F536-F540 AromaticContact CD1-CZ 3.93Å; F536-F540 HydrophobicContact CD1-CZ 3.93Å; F536-F540 HydrophobicContact CD2-CE2 4.24Å; F536-F540 AromaticContact CE1-CD2 3.95Å; F536-F540 HydrophobicContact CE1-CD2 3.95Å; F536-F540 HydrophobicContact CE1-CE1 4.34Å; F536-F540 AromaticContact CE1-CE2 3.13Å; F536-F540 HydrophobicContact CE1-CE2 3.13Å; F536-F540 AromaticContact CE1-CZ 3.38Å; F536-F540 HydrophobicContact CE1-CZ 3.38Å; F536-F540 HydrophobicContact CE2-CE2 4.15Å; F536-F540 HydrophobicContact CG-CD2 4.08Å; F536-F540 AromaticContact CG-CE2 3.83Å; F536-F540 HydrophobicContact CG-CE2 3.83Å; F536-F540 AromaticContact CZ-CE2 3.63Å; F536-F540 HydrophobicContact CZ-CE2 3.63Å; F536-F540 AromaticContact CZ-CZ 3.87Å; F536-F540 HydrophobicContact CZ-CZ 3.87Å; F540-T542 WeakPolarHBondContact CB-O 3.42Å; F540-T542 WeakPolarHBondContact CD1-O 3.48Å; F540-P544 HydrophobicContact CD1-CG 3.85Å; F540-P544 HydrophobicContact CE1-CB 4.35Å; F540-P544 HydrophobicContact CE1-CG 3.98Å; F540-P544 HydrophobicContact CG-CG 4.21Å; F540-P544 HydrophobicContact CZ-CG 4.48Å
541	R	56.6	Low	73.2	Confident	248 Å²	248	71.8 Å²	71.8	94%	0.936	35%	0.345	S	S	*	.	S	Bend	trans	-78.4	-7.1	165.8	-65.9	-177.5	-179.6	-105	-0.5	113.4
542	T	64.4	Low	73.5	Confident	97 Å²	97	74.4 Å²	74.4	60%	0.595	36%	0.356	S	S	*	.	S	Bend	trans	-141.5	160.9	-175.4	53.5	0	0	0	0	110.1	F540	F540-T542 WeakPolarHBondContact CB-O 3.42Å; F540-T542 WeakPolarHBondContact CD1-O 3.48Å
543	V	76.1	Confident	74	Confident	27 Å²	27	69.3 Å²	69.3	16%	0.164	33%	0.332	C	S	.	.			trans	-68.6	135.2	177.4	-178.3	0	0	0	0	110.8	P213 L214 W548 L565	P213-V543 HydrophobicContact CG-CG2 3.98Å; L214-V543 HydrophobicContact CD1-CG1 3.79Å; L214-V543 HydrophobicContact CD1-CG2 3.97Å; L214-V543 HydrophobicContact CD2-CG1 4.4Å; L214-V543 HydrophobicContact CD2-CG2 3.9Å; L214-V543 HydrophobicContact CG-CG1 4.3Å; L214-V543 HydrophobicContact CG-CG2 3.63Å; V543-W548 HydrophobicContact CG1-CB 4.07Å; V543-L565 HydrophobicContact CG2-CD2 3.62Å
544	P	81.6	Confident	74.5	Confident	21 Å²	21	64.2 Å²	64.2	14%	0.136	31%	0.305	C	S	.	.			trans	-67.3	130.2	168.7	-18.5	30.9	0	0	0	111.6	F536 F540 G546 L547 W548	F536-P544 HydrophobicContact CD1-CG 4.3Å; F536-P544 HydrophobicContact CE1-CG 4.32Å; F540-P544 HydrophobicContact CD1-CG 3.85Å; F540-P544 HydrophobicContact CE1-CB 4.35Å; F540-P544 HydrophobicContact CE1-CG 3.98Å; F540-P544 HydrophobicContact CG-CG 4.21Å; F540-P544 HydrophobicContact CZ-CG 4.48Å; P544-G546 PolarHBondContact O-N 2.88Å; P544-G546 VanDerWaalsContact O-N 3.16Å; P544-L547 HydrophobicContact CB-CB 4.34Å; P544-L547 WeakPolarHBondContact O-CB 3.5Å; P544-L547 PolarHBondContact O-N 3.32Å; P544-W548 PolarHBondContact O-N 3.15Å; P544-W548 VanDerWaalsContact O-N 3.11Å
545	D	80.3	Confident	75.4	Confident	124 Å²	124	66.4 Å²	66.4	66%	0.663	31%	0.309	S	S	*	.	H	α-helix	trans	-55.6	-37	-177.2	-67.7	-50	0	0	0	113.3	L547 W548 Q549	D545-L547 PolarHBondContact O-N 3.46Å; D545-W548 PolarHBondContact O-N 3.33Å; D545-Q549 WeakPolarHBondContact O-CB 3.32Å; D545-Q549 WeakPolarHBondContact O-CG 3.17Å; D545-Q549 PolarHBondContact O-N 3.5Å
546	G	83.8	Confident	76.3	Confident	7 Å²	7	69.9 Å²	69.9	7%	0.072	33%	0.328	C	S	.	.	H	α-helix	trans	-65.9	-34.3	177	0	0	0	0	0	114	T243 P544 Y550	T243-G546 WeakPolarHBondContact OG1-CA 3.29Å; P544-G546 PolarHBondContact O-N 2.88Å; P544-G546 VanDerWaalsContact O-N 3.16Å; G546-Y550 WeakPolarHBondContact O-CB 3.5Å; G546-Y550 PolarHBondContact O-N 3.19Å
547	L	86	Confident	77.2	Confident	2 Å²	2	73 Å²	73	1%	0.01	34%	0.339	C	S	.	.	H	α-helix	trans	-68.1	-43.8	172.3	178.7	60.2	0	0	0	110.3	L214 F244 Y250 P544 D545 Y550 L551	L214-L547 HydrophobicContact CD1-CD2 3.93Å; L214-L547 HydrophobicContact CD1-CG 4.43Å; F244-L547 HydrophobicContact CD1-CB 3.73Å; F244-L547 HydrophobicContact CD1-CD1 4.33Å; F244-L547 HydrophobicContact CE1-CB 4.18Å; F244-L547 HydrophobicContact CE1-CD1 4.48Å; Y250-L547 HydrophobicContact CD1-CD2 3.91Å; Y250-L547 HydrophobicContact CG-CD2 4.03Å; P544-L547 HydrophobicContact CB-CB 4.34Å; P544-L547 WeakPolarHBondContact O-CB 3.5Å; P544-L547 PolarHBondContact O-N 3.32Å; D545-L547 PolarHBondContact O-N 3.46Å; L547-Y550 PolarHBondContact O-N 2.95Å; L547-L551 HydrophobicContact CD1-CD1 4.16Å; L547-L551 HydrophobicContact CD1-CG 4.25Å; L547-L551 HydrophobicContact CG-CD1 4.08Å; L547-L551 WeakPolarHBondContact O-CB 3.49Å; L547-L551 VanDerWaalsContact O-CG 3.31Å; L547-L551 WeakPolarHBondContact O-CG 3.07Å; L547-L551 PolarHBondContact O-N 3.24Å
548	W	85.4	Confident	78.6	Confident	62 Å²	62	81.9 Å²	81.9	24%	0.235	37%	0.371	C	S	.	.	H	α-helix	trans	-61.4	-46.7	177.6	-178.8	-101.5	0	0	0	111.7	L214 V543 P544 D545 Y550 L551 Q552 V563 L565	L214-W548 HydrophobicContact CD2-CE3 3.8Å; L214-W548 HydrophobicContact CD2-CZ3 3.71Å; V543-W548 HydrophobicContact CG1-CB 4.07Å; P544-W548 PolarHBondContact O-N 3.15Å; P544-W548 VanDerWaalsContact O-N 3.11Å; D545-W548 PolarHBondContact O-N 3.33Å; W548-Y550 PolarHBondContact O-N 3.06Å; W548-L551 PolarHBondContact O-N 3.43Å; W548-Q552 VanDerWaalsContact NE1-NE2 3.11Å; W548-Q552 WeakPolarHBondContact O-CG 3.39Å; W548-Q552 PolarHBondContact O-N 3.27Å; W548-V563 HydrophobicContact CE3-CG1 4.05Å; W548-V563 HydrophobicContact CH2-CG1 4.15Å; W548-V563 HydrophobicContact CZ3-CB 4.46Å; W548-V563 HydrophobicContact CZ3-CG1 3.58Å; W548-L565 HydrophobicContact CE3-CD2 4.44Å; W548-L565 HydrophobicContact CH2-CD1 4.45Å; W548-L565 HydrophobicContact CH2-CG 4.1Å; W548-L565 HydrophobicContact CZ3-CD2 4.14Å; W548-L565 HydrophobicContact CZ3-CG 3.84Å
549	Q	86.4	Confident	80	Confident	90 Å²	90	76.3 Å²	76.3	42%	0.421	35%	0.345	S	S	.	.	H	α-helix	trans	-59.4	-45.3	175.8	-72.6	166.7	13.3	0	0	112	D545 Q552 Q553	D545-Q549 WeakPolarHBondContact O-CB 3.32Å; D545-Q549 WeakPolarHBondContact O-CG 3.17Å; D545-Q549 PolarHBondContact O-N 3.5Å; Q549-Q552 PolarHBondContact O-N 3.21Å; Q549-Q553 WeakPolarHBondContact O-CG 3.33Å; Q549-Q553 PolarHBondContact O-N 3.41Å
550	Y	88	Confident	81.5	Confident	6 Å²	6	69.4 Å²	69.4	2%	0.024	31%	0.313	C	S	.	.	H	α-helix	trans	-61	-46.8	176.3	179.8	-102.1	0	0	0	112.2	M241 S247 S251 G546 L547 W548 Q552 Q553 L554	M241-Y550 HydrophobicContact CG-CD2 4.15Å; M241-Y550 HydrophobicContact CG-CE2 3.97Å; M241-Y550 WeakPolarHBondContact O-CD2 3.37Å; S247-Y550 VanDerWaalsContact CB-CD1 3.46Å; S251-Y550 WeakPolarHBondContact OG-CE1 3.33Å; G546-Y550 WeakPolarHBondContact O-CB 3.5Å; G546-Y550 PolarHBondContact O-N 3.19Å; L547-Y550 PolarHBondContact O-N 2.95Å; W548-Y550 PolarHBondContact O-N 3.06Å; Y550-Q552 VanDerWaalsContact C-N 3.31Å; Y550-Q552 PolarHBondContact O-N 3.19Å; Y550-Q553 WeakPolarHBondContact O-CB 3.48Å; Y550-Q553 PolarHBondContact O-N 3.01Å; Y550-Q553 VanDerWaalsContact O-N 3.11Å; Y550-L554 HydrophobicContact CD1-CD1 4.09Å; Y550-L554 HydrophobicContact CE1-CD1 3.64Å; Y550-L554 HydrophobicContact CE1-CG 4.29Å; Y550-L554 PolarHBondContact O-N 3.04Å; Y550-L554 VanDerWaalsContact O-N 3.07Å
551	L	88.4	Confident	82.6	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-63	-37.2	176.7	-69	174	0	0	0	111.8	L214 I216 S251 L254 L547 W548 L554 Q555 V563	L214-L551 HydrophobicContact CD1-CD1 3.96Å; I216-L551 HydrophobicContact CG2-CD1 4.44Å; I216-L551 HydrophobicContact CG2-CD2 4.33Å; S251-L551 WeakPolarHBondContact OG-CD2 3.34Å; L254-L551 HydrophobicContact CD1-CD1 3.99Å; L547-L551 HydrophobicContact CD1-CD1 4.16Å; L547-L551 HydrophobicContact CD1-CG 4.25Å; L547-L551 HydrophobicContact CG-CD1 4.08Å; L547-L551 WeakPolarHBondContact O-CB 3.49Å; L547-L551 VanDerWaalsContact O-CG 3.31Å; L547-L551 WeakPolarHBondContact O-CG 3.07Å; L547-L551 PolarHBondContact O-N 3.24Å; W548-L551 PolarHBondContact O-N 3.43Å; L551-L554 HydrophobicContact CD2-CD1 4.47Å; L551-L554 PolarHBondContact O-N 2.77Å; L551-Q555 PolarHBondContact O-N 3.24Å; L551-V563 HydrophobicContact CB-CG1 3.94Å; L551-V563 HydrophobicContact CB-CG2 4Å; L551-V563 HydrophobicContact CD1-CG1 4.08Å
552	Q	86.9	Confident	83.7	Confident	73 Å²	73	60 Å²	60	34%	0.341	29%	0.285	S	S	.	.	H	α-helix	trans	-63.6	-39.2	171.5	-75.3	-172.9	-37.1	0	0	112.6	W548 Q549 Y550 Q555 H556	W548-Q552 VanDerWaalsContact NE1-NE2 3.11Å; W548-Q552 WeakPolarHBondContact O-CG 3.39Å; W548-Q552 PolarHBondContact O-N 3.27Å; Q549-Q552 PolarHBondContact O-N 3.21Å; Y550-Q552 VanDerWaalsContact C-N 3.31Å; Y550-Q552 PolarHBondContact O-N 3.19Å; Q552-Q555 WeakPolarHBondContact O-CB 3.38Å; Q552-Q555 PolarHBondContact O-N 2.95Å; Q552-H556 PolarHBondContact O-CD2 2.91Å; Q552-H556 PolarHBondContact O-N 2.92Å
553	Q	85.9	Confident	84.5	Confident	65 Å²	65	56 Å²	56	30%	0.304	26%	0.26	S	S	.	.	H	α-helix	trans	-62.7	-42.1	175.2	-70.2	179.3	20.1	0	0	111.9	M241 Q549 Y550 Q555 H556 R557	M241-Q553 PolarHBondContact O-NE2 3.37Å; M241-Q553 PolarHBondContact O-OE1 3.4Å; M241-Q553 PolarHBondContact SD-OE1 2.9Å; M241-Q553 VanDerWaalsContact SD-OE1 3.37Å; Q549-Q553 WeakPolarHBondContact O-CG 3.33Å; Q549-Q553 PolarHBondContact O-N 3.41Å; Y550-Q553 WeakPolarHBondContact O-CB 3.48Å; Y550-Q553 PolarHBondContact O-N 3.01Å; Y550-Q553 VanDerWaalsContact O-N 3.11Å; Q553-Q555 VanDerWaalsContact C-N 3.31Å; Q553-Q555 PolarHBondContact O-N 2.91Å; Q553-H556 PolarHBondContact O-N 2.85Å; Q553-R557 WeakPolarHBondContact O-CG 3.48Å; Q553-R557 PolarHBondContact O-N 2.67Å
554	L	87.9	Confident	84.6	Confident	4 Å²	4	56.6 Å²	56.6	2%	0.021	27%	0.265	C	S	.	.	H	α-helix	trans	-61.8	-39.2	173.3	-63.1	179	0	0	0	111.7	F226 E229 V230 Y550 L551 R557 R558 L559	F226-L554 HydrophobicContact CD2-CD1 4.33Å; F226-L554 HydrophobicContact CE2-CD1 3.78Å; F226-L554 HydrophobicContact CZ-CD1 4.48Å; E229-L554 HydrophobicContact CG-CD2 4.28Å; V230-L554 HydrophobicContact CG2-CD1 3.74Å; V230-L554 HydrophobicContact CG2-CD2 4.33Å; Y550-L554 HydrophobicContact CD1-CD1 4.09Å; Y550-L554 HydrophobicContact CE1-CD1 3.64Å; Y550-L554 HydrophobicContact CE1-CG 4.29Å; Y550-L554 PolarHBondContact O-N 3.04Å; Y550-L554 VanDerWaalsContact O-N 3.07Å; L551-L554 HydrophobicContact CD2-CD1 4.47Å; L551-L554 PolarHBondContact O-N 2.77Å; L554-R557 CarbonylContact O-C 3.5Å; L554-R557 PolarHBondContact O-N 2.98Å; L554-R558 PolarHBondContact O-N 2.94Å; L554-L559 HydrophobicContact CB-CB 4.47Å; L554-L559 HydrophobicContact CD2-CD1 3.92Å; L554-L559 PolarHBondContact O-N 3.35Å
555	Q	88.7	Confident	84.3	Confident	67 Å²	67	60.5 Å²	60.5	31%	0.313	29%	0.285	S	S	.	.	H	α-helix	trans	-66.9	-41.7	175.8	-160.5	-171.5	-92.8	0	0	112.1	L551 Q552 Q553 R557 R558 C560 V563	L551-Q555 PolarHBondContact O-N 3.24Å; Q552-Q555 WeakPolarHBondContact O-CB 3.38Å; Q552-Q555 PolarHBondContact O-N 2.95Å; Q553-Q555 VanDerWaalsContact C-N 3.31Å; Q553-Q555 PolarHBondContact O-N 2.91Å; Q555-R557 VanDerWaalsContact C-N 3.27Å; Q555-R557 PolarHBondContact O-N 3.03Å; Q555-R558 WeakPolarHBondContact O-CA 3.44Å; Q555-R558 PolarHBondContact O-N 2.79Å; Q555-C560 VanDerWaalsContact CA-SG 3.58Å; Q555-C560 PolarHBondContact N-SG 2.94Å; Q555-C560 VanDerWaalsContact N-SG 3.42Å; Q555-V563 HydrophobicContact CB-CG2 4.33Å
556	H	86.1	Confident	83.5	Confident	153 Å²	153	56.8 Å²	56.8	71%	0.708	27%	0.266	S	S	*	.	H	α-helix	trans	-62.5	-34.2	174	-78.9	-62.3	0	0	0	112.4	Q552 Q553 R558	Q552-H556 PolarHBondContact O-CD2 2.91Å; Q552-H556 PolarHBondContact O-N 2.92Å; Q553-H556 PolarHBondContact O-N 2.85Å; H556-R558 PolarHBondContact O-N 3.44Å
557	R	85.9	Confident	81.8	Confident	113 Å²	113	61.8 Å²	61.8	43%	0.426	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	4.2	171.6	-67	-178.9	62.3	-173.9	-9.6	113.7	E229 Q553 L554 Q555 L559	E229-R557 VanDerWaalsContact CD-CZ 3.47Å; E229-R557 IonicContact OE1-CZ 3.45Å; E229-R557 IonicContact OE1-NH1 3.44Å; E229-R557 PolarHBondContact OE1-NH1 2.73Å; E229-R557 IonicContact OE1-NH2 2.69Å; E229-R557 IonicContact OE2-CZ 2.8Å; E229-R557 IonicContact OE2-NH1 3.31Å; E229-R557 PolarHBondContact OE2-NH1 2.8Å; E229-R557 IonicContact OE2-NH2 3.99Å; E229-R557 PolarHBondContact OE2-NH2 2.59Å; Q553-R557 WeakPolarHBondContact O-CG 3.48Å; Q553-R557 PolarHBondContact O-N 2.67Å; L554-R557 CarbonylContact O-C 3.5Å; L554-R557 PolarHBondContact O-N 2.98Å; Q555-R557 VanDerWaalsContact C-N 3.27Å; Q555-R557 PolarHBondContact O-N 3.03Å; R557-L559 HydrophobicContact CB-CD1 4.3Å; R557-L559 HydrophobicContact CB-CG 4.21Å; R557-L559 PolarHBondContact O-N 3.1Å
558	R	86.6	Confident	79.6	Confident	196 Å²	196	65.9 Å²	65.9	74%	0.74	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.3	14.4	-179.4	-53.4	-177.9	177	-168.8	-2.4	115	N222 L554 Q555 H556 C560	N222-R558 PolarHBondContact ND2-O 3.41Å; L554-R558 PolarHBondContact O-N 2.94Å; Q555-R558 WeakPolarHBondContact O-CA 3.44Å; Q555-R558 PolarHBondContact O-N 2.79Å; H556-R558 PolarHBondContact O-N 3.44Å; R558-C560 VanDerWaalsContact C-N 3.3Å
559	L	84.8	Confident	77.2	Confident	17 Å²	17	67.8 Å²	67.8	9%	0.089	35%	0.352	C	S	.	.	S	Bend	trans	-73.9	-24.7	179.5	-62.2	175.7	0	0	0	112	D225 F226 E229 L554 R557	D225-L559 HydrophobicContact CB-CD2 3.83Å; F226-L559 HydrophobicContact CB-CB 4.26Å; F226-L559 HydrophobicContact CD2-CB 4.21Å; E229-L559 HydrophobicContact CB-CD1 3.67Å; E229-L559 HydrophobicContact CG-CD1 3.79Å; L554-L559 HydrophobicContact CB-CB 4.47Å; L554-L559 HydrophobicContact CD2-CD1 3.92Å; L554-L559 PolarHBondContact O-N 3.35Å; R557-L559 HydrophobicContact CB-CD1 4.3Å; R557-L559 HydrophobicContact CB-CG 4.21Å; R557-L559 PolarHBondContact O-N 3.1Å
560	C	85.6	Confident	74.7	Confident	1 Å²	1	69.4 Å²	69.4	1%	0.007	37%	0.37	C	S	.	.	S	Bend	trans	-126.6	156.9	161.4	58.3	0	0	0	0	110	Q217 I218 Q555 R558	Q217-C560 WeakPolarHBondContact O-CA 3.5Å; Q217-C560 WeakPolarHBondContact O-CB 3.48Å; I218-C560 HydrophobicContact CG1-CB 4.13Å; Q555-C560 VanDerWaalsContact CA-SG 3.58Å; Q555-C560 PolarHBondContact N-SG 2.94Å; Q555-C560 VanDerWaalsContact N-SG 3.42Å; R558-C560 VanDerWaalsContact C-N 3.3Å
561	H	79.9	Confident	72.1	Confident	79 Å²	79	73.6 Å²	73.6	37%	0.366	41%	0.406	S	S	.	.	S	Bend	trans	-95.2	-40.4	-172.9	-68.8	62.3	0	0	0	112.3	Q217 G219 Y221	Q217-H561 PolarHBondContact O-N 3.17Å; G219-H561 VanDerWaalsContact CA-CE1 3.47Å; G219-H561 WeakPolarHBondContact CA-CE1 3.41Å; G219-H561 PolarHBondContact N-CE1 3.16Å; G219-H561 VanDerWaalsContact N-CE1 3.26Å; G219-H561 PolarHBondContact N-ND1 3.49Å; Y221-H561 AromaticContact CE1-NE2 3.97Å; Y221-H561 AromaticContact CZ-CE1 3.96Å; Y221-H561 AromaticContact CZ-NE2 3.65Å; Y221-H561 PolarHBondContact OH-NE2 2.89Å
562	T	78.4	Confident	69.5	Low	57 Å²	57	78.2 Å²	78.2	35%	0.35	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	131.1	-178.7	-50.6	0	0	0	0	109.4	I216 Q217	I216-T562 WeakPolarHBondContact CA-O 3.38Å; Q217-T562 PolarHBondContact N-O 3.24Å; Q217-T562 PolarHBondContact OE1-OG1 3.06Å
563	V	81.5	Confident	66.9	Low	13 Å²	13	83.3 Å²	83.3	8%	0.079	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	108.4	164.5	-175.2	0	0	0	0	107.3	L214 I216 W548 L551 Q555	L214-V563 HydrophobicContact CD2-CG1 4.36Å; I216-V563 HydrophobicContact CG2-CG1 4.19Å; I216-V563 HydrophobicContact CG2-CG2 4.22Å; W548-V563 HydrophobicContact CE3-CG1 4.05Å; W548-V563 HydrophobicContact CH2-CG1 4.15Å; W548-V563 HydrophobicContact CZ3-CB 4.46Å; W548-V563 HydrophobicContact CZ3-CG1 3.58Å; L551-V563 HydrophobicContact CB-CG1 3.94Å; L551-V563 HydrophobicContact CB-CG2 4Å; L551-V563 HydrophobicContact CD1-CG1 4.08Å; Q555-V563 HydrophobicContact CB-CG2 4.33Å
564	S	78.1	Confident	64.3	Low	38 Å²	38	86.8 Å²	86.8	27%	0.266	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	129.7	-174.6	32.9	0	0	0	0	111.7	L214 S215 T566	L214-S564 CarbonylContact C-O 3.6Å; L214-S564 WeakPolarHBondContact CA-O 3.41Å; S215-S564 PolarHBondContact N-O 2.89Å; S215-S564 PolarHBondContact O-N 2.79Å; S215-S564 PolarHBondContact O-OG 3.49Å; S215-S564 PolarHBondContact OG-O 3.34Å; S215-S564 PolarHBondContact OG-OG 2.87Å; S564-T566 PolarHBondContact O-N 3.14Å
565	L	76.2	Confident	61.5	Low	104 Å²	104	95.5 Å²	95.5	55%	0.545	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	119.2	163.3	-72.2	166.3	0	0	0	108.3	P213 L214 V543 W548 P567	P213-L565 CarbonylContact O-C 2.95Å; P213-L565 WeakPolarHBondContact O-CA 3.49Å; L214-L565 HydrophobicContact CD2-CD2 3.98Å; V543-L565 HydrophobicContact CG2-CD2 3.62Å; W548-L565 HydrophobicContact CE3-CD2 4.44Å; W548-L565 HydrophobicContact CH2-CD1 4.45Å; W548-L565 HydrophobicContact CH2-CG 4.1Å; W548-L565 HydrophobicContact CZ3-CD2 4.14Å; W548-L565 HydrophobicContact CZ3-CG 3.84Å; L565-P567 WeakPolarHBondContact O-CD 3.29Å
566	T	63	Low	58.7	Low	45 Å²	45	98.2 Å²	98.2	28%	0.276	56%	0.563	S	S	.	*	P	Polyproline II helix	trans	-77	116.8	176.3	-51.9	0	0	0	0	107.9	P213 S215 S564 A568	P213-T566 PolarHBondContact O-N 2.85Å; S215-T566 PolarHBondContact OG-OG1 2.7Å; S564-T566 PolarHBondContact O-N 3.14Å; T566-A568 PolarHBondContact O-N 2.68Å
567	P	48.1	Very low	56	Low	112 Å²	112	98.4 Å²	98.4	73%	0.727	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-63.4	136.5	176.6	27.2	-33.6	0	0	0	109.3	L565	L565-P567 WeakPolarHBondContact O-CD 3.29Å
568	A	40.3	Very low	53.2	Low	88 Å²	88	102 Å²	102	73%	0.727	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-56.6	139.1	175.2	0	0	0	0	0	109.8	T566	T566-A568 PolarHBondContact O-N 2.68Å
569	P	34.3	Very low	50.5	Low	102 Å²	102	97.5 Å²	97.5	66%	0.662	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-58.9	132.9	179.2	24.8	-33.5	0	0	0	109.4	A571	P569-A571 PolarHBondContact O-N 2.8Å; P569-A571 VanDerWaalsContact O-N 3.17Å
570	P	33.3	Very low	47.7	Very low	124 Å²	124	105.6 Å²	105.6	81%	0.805	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-61.6	123.5	177.8	25.6	-33.1	0	0	0	108.7	A572	P570-A572 PolarHBondContact O-N 2.84Å
571	A	33.6	Very low	44.9	Very low	94 Å²	94	113.1 Å²	113.1	78%	0.777	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-53.5	126.8	179.3	0	0	0	0	0	109.7	P569 M573	P569-A571 PolarHBondContact O-N 2.8Å; P569-A571 VanDerWaalsContact O-N 3.17Å; A571-M573 PolarHBondContact O-N 3Å; A571-M573 VanDerWaalsContact O-N 3.08Å
572	A	33.6	Very low	42.3	Very low	97 Å²	97	116.7 Å²	116.7	80%	0.802	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-57.9	117	-173	0	0	0	0	0	110.4	P570 T574	P570-A572 PolarHBondContact O-N 2.84Å; A572-T574 PolarHBondContact O-N 3.14Å
573	M	32.3	Very low	39.8	Very low	180 Å²	180	117 Å²	117	89%	0.887	70%	0.701	S	S	*	*			trans	-63.8	106.8	-177	-74.2	-173.9	-76.4	0	0	110.6	A571	A571-M573 PolarHBondContact O-N 3Å; A571-M573 VanDerWaalsContact O-N 3.08Å
574	T	31.8	Very low	37.1	Very low	138 Å²	138	120.7 Å²	120.7	85%	0.847	73%	0.733	S	S	*	*			trans	-67	131.1	162.4	39.5	0	0	0	0	109	A572	A572-T574 PolarHBondContact O-N 3.14Å
575	H	30.1	Very low	34.6	Very low	187 Å²	187	123.5 Å²	123.5	87%	0.866	75%	0.753	S	S	*	*			trans	-64.3	141.6	-169.2	-68.7	-102.7	0	0	0	113.1
576	S	29.2	Very low	32.2	Very low	125 Å²	125	126.3 Å²	126.3	87%	0.874	77%	0.768	S	S	*	*			trans	-136.4	139.9	150.9	-169.5	0	0	0	0	109.7
577	M	29.5	Very low	30.5	Very low	157 Å²	157	128.3 Å²	128.3	77%	0.773	79%	0.789	S	S	*	*			trans	-112.8	119.9	-172.4	-80.2	-98.2	-69.3	0	0	110.3
578	H	27.8	Very low	29.5	Very low	187 Å²	187	131.1 Å²	131.1	87%	0.866	79%	0.792	S	S	*	*			trans	168.4	124.2	131.1	-98.4	80.3	0	0	0	112
579	A	28.8	Very low	28.8	Very low	103 Å²	103	136.2 Å²	136.2	85%	0.851	79%	0.794	S	S	*	*			trans	-176.8	131.1	131.3	0	0	0	0	0	112
580	M	25.5	Very low	28.4	Very low	186 Å²	186	138.4 Å²	138.4	92%	0.916	80%	0.796	S	S	*	*			trans	-74.8	167.7	165.4	-77.8	-173.4	-67.4	0	0	111.6
581	H	27.3	Very low	28	Very low	160 Å²	160	139.7 Å²	139.7	74%	0.741	79%	0.791	S	S	*	*			cis	-179.4	138.7	-23.2	162.2	78	0	0	0	108.4
582	I	26.4	Very low	27.8	Very low	153 Å²	153	143 Å²	143	79%	0.785	79%	0.79	S	S	*	*			trans	-172.3	165.3	149.8	-106.9	160.5	0	0	0	110
583	G	24.9	Very low	27.4	Very low	63 Å²	63	145.8 Å²	145.8	65%	0.649	79%	0.786	S	S	*	*			trans	-89.8	-152.3	173.2	0	0	0	0	0	113.8
584	A	24.7	Very low	27.3	Very low	91 Å²	91	146.6 Å²	146.6	75%	0.752	79%	0.787	S	S	*	*			cis	-161.4	172.3	-3	0	0	0	0	0	110.8
585	S	26.9	Very low	26.9	Very low	97 Å²	97	148.3 Å²	148.3	68%	0.678	79%	0.786	S	S	*	*			trans	57.9	110.2	157.4	57	0	0	0	0	121.9
586	D	25.3	Very low	26.9	Very low	163 Å²	163	148.7 Å²	148.7	87%	0.872	79%	0.788	S	S	*	*				74.9	152.3	119.2	-55.9	-41.1	0	0	0	126.1
587	A	26.4	Very low	26.8	Very low	87 Å²	87	152 Å²	152	72%	0.719	79%	0.79	S	S	*	*			trans	80.9	90.9	147.6	0	0	0	0	0	123.2
588	H	26.7	Very low	26.6	Very low	171 Å²	171	153.3 Å²	153.3	79%	0.792	79%	0.794	S	S	*	*				48.8	123.2	115.4	-80.2	63.3	0	0	0	123.2
589	Y	25.6	Very low	26.5	Very low	195 Å²	195	152.2 Å²	152.2	77%	0.765	79%	0.794	S	S	*	*			trans	85.6	151.2	140.9	-91.5	-104.8	0	0	0	124.1
590	H	27.5	Very low	26.6	Very low	149 Å²	149	152 Å²	152	69%	0.69	79%	0.785	S	S	*	*			trans	68.9	94.4	164.8	-70.4	-61.4	0	0	0	122.5
591	Q	25.2	Very low	26.5	Very low	150 Å²	150	151.4 Å²	151.4	70%	0.701	78%	0.783	S	S	*	*				29.7	111.7	106.5	-179.4	-176.8	-14.3	0	0	118.4
592	H	28.1	Very low	26.5	Very low	164 Å²	164	149.3 Å²	149.3	76%	0.759	78%	0.781	S	S	*	*				-163	176.2	118.8	-112.3	-75.8	0	0	0	112.1
593	Q	24.4	Very low	26.5	Very low	155 Å²	155	152.8 Å²	152.8	72%	0.724	79%	0.785	S	S	*	*			trans	-85.8	156.1	-171	-58.8	155.8	-61.5	0	0	112.6
594	H	30.5	Very low	26.5	Very low	197 Å²	197	154.7 Å²	154.7	91%	0.912	79%	0.788	S	S	*	*			trans	-139.9	133.7	142.3	-106.4	-72.9	0	0	0	111.6
595	Q	24.8	Very low	26.5	Very low	174 Å²	174	155.7 Å²	155.7	81%	0.813	78%	0.784	S	S	*	*			trans	-81.8	148	169.5	-63.5	163.2	-27.7	0	0	109.3
596	Q	29.5	Very low	26.4	Very low	196 Å²	196	157 Å²	157	92%	0.916	79%	0.793	S	S	*	*			trans	-126.8	151.2	157.4	-75.3	-165.5	-6.8	0	0	110.3
597	Q	26.7	Very low	26.4	Very low	195 Å²	195	156.9 Å²	156.9	91%	0.911	79%	0.788	S	S	*	*			trans	-94.4	131.5	-158.9	-65.8	162.7	-13.6	0	0	111.5
598	Q	25.6	Very low	26.4	Very low	184 Å²	184	158.7 Å²	158.7	86%	0.86	79%	0.79	S	S	*	*			trans	-92.2	141.2	150.7	-69.7	-178.4	-12.6	0	0	108.4
599	N	26.4	Very low	26.3	Very low	164 Å²	164	156 Å²	156	88%	0.877	79%	0.786	S	S	*	*			trans	-156.6	158.2	148.2	-106.4	-22.9	0	0	0	110.3
600	P	30.2	Very low	26.2	Very low	99 Å²	99	153.7 Å²	153.7	64%	0.643	79%	0.786	S	S	*	*			trans	-106.7	173.9	-149.6	40.5	-38.1	0	0	0	114.7
601	I	24	Very low	26.1	Very low	172 Å²	172	152.5 Å²	152.5	88%	0.882	79%	0.789	S	S	*	*			trans	-106.2	136.9	160	-64.6	178	0	0	0	108.8
602	V	25.9	Very low	26	Very low	117 Å²	117	150.9 Å²	150.9	71%	0.709	79%	0.794	S	S	*	*			trans	-106.8	155.1	179	177	0	0	0	0	110.3
603	R	27.2	Very low	26	Very low	226 Å²	226	150.7 Å²	150.7	85%	0.853	80%	0.797	S	S	*	*			trans	-43.5	161.2	170.5	-54.3	172.5	174.4	108.5	-1.3	112.1
604	S	24.4	Very low	26.1	Very low	103 Å²	103	149.1 Å²	149.1	72%	0.72	80%	0.801	S	S	*	*			cis	-173.2	164.3	42.2	-146.7	0	0	0	0	115.5
605	V	25.5	Very low	25.8	Very low	111 Å²	111	145.3 Å²	145.3	67%	0.673	79%	0.791	S	S	*	*			trans	37.1	129.7	161.9	-133.5	0	0	0	0	122.3
606	S	24	Very low	26.1	Very low	124 Å²	124	143.7 Å²	143.7	87%	0.867	79%	0.794	S	S	*	*				-152.4	154.6	123.3	-78.4	0	0	0	0	109.7
607	Q	24.9	Very low	26	Very low	161 Å²	161	142.8 Å²	142.8	75%	0.752	79%	0.789	S	S	*	*			trans	-121.1	152	-178.4	-69.5	179.7	-17	0	0	110.7
608	T	27	Very low	25.9	Very low	126 Å²	126	143.9 Å²	143.9	77%	0.773	79%	0.792	S	S	*	*			trans	63.9	148.5	160.8	51.1	0	0	0	0	116.8
609	T	25.4	Very low	25.8	Very low	114 Å²	114	138.4 Å²	138.4	70%	0.699	78%	0.784	S	S	*	*			cis	-159.7	162.4	5.7	-3.4	0	0	0	0	112.4
610	L	23.3	Very low	25.7	Very low	146 Å²	146	138 Å²	138	76%	0.764	78%	0.782	S	S	*	*			trans	78.4	134.8	146.1	-72.7	165.2	0	0	0	123.8
611	T	24.7	Very low	25.4	Very low	124 Å²	124	138.1 Å²	138.1	76%	0.761	79%	0.785	S	S	*	*			trans	84.6	143.8	140.8	46.1	0	0	0	0	124.2
612	S	23.6	Very low	25.5	Very low	116 Å²	116	139.9 Å²	139.9	81%	0.811	79%	0.787	S	S	*	*			trans	72.9	97.7	166.3	63	0	0	0	0	119.4
613	I	28.2	Very low	25.6	Very low	161 Å²	161	138 Å²	138	83%	0.826	79%	0.791	S	S	*	*			trans	-110.5	133.5	148.9	-61.2	174.8	0	0	0	106.1
614	P	25.9	Very low	25.8	Very low	122 Å²	122	132.9 Å²	132.9	79%	0.792	79%	0.79	S	S	*	*			trans	-76.7	129.1	-179.3	29.8	-33.7	0	0	0	112.4
615	T	25.2	Very low	26.2	Very low	116 Å²	116	132.6 Å²	132.6	71%	0.712	79%	0.794	S	S	*	*			trans	-70.2	142.7	174.4	-42.8	0	0	0	0	112	Q617	T615-Q617 HydrophobicContact CG2-CG 4.02Å
616	T	29.5	Very low	26.8	Very low	141 Å²	141	134 Å²	134	87%	0.865	80%	0.803	S	S	*	*			trans	-132.7	132.2	155.3	47.7	0	0	0	0	109.6
617	Q	27.5	Very low	27.5	Very low	176 Å²	176	131.7 Å²	131.7	82%	0.822	79%	0.787	S	S	*	*			trans	-103.7	157.9	-169.6	-66	173.3	-29.7	0	0	112.6	T615	T615-Q617 HydrophobicContact CG2-CG 4.02Å
618	F	24.7	Very low	28.7	Very low	219 Å²	219	127.3 Å²	127.3	96%	0.961	77%	0.768	S	S	*	*			trans	-78.5	143.1	153.5	-85.5	-104.2	0	0	0	109.1
619	G	24	Very low	30.4	Very low	69 Å²	69	125.1 Å²	125.1	71%	0.711	76%	0.755	S	S	*	*			trans	153.7	82.4	171.9	0	0	0	0	0	115.9
620	D	24.1	Very low	33	Very low	156 Å²	156	123.6 Å²	123.6	83%	0.834	74%	0.742	S	S	*	*			trans	47.6	127.3	147.4	-61	-9.1	0	0	0	123.7
621	S	25.1	Very low	35.9	Very low	101 Å²	101	118.5 Å²	118.5	71%	0.706	72%	0.718	S	S	*	*			trans	66.6	105	145.2	-53.9	0	0	0	0	118.2
622	F	24.5	Very low	38.9	Very low	208 Å²	208	120.1 Å²	120.1	91%	0.912	71%	0.714	S	S	*	*				-166.5	144.1	61.3	-107.3	-85.4	0	0	0	113.4
623	G	29.9	Very low	42.1	Very low	78 Å²	78	114.8 Å²	114.8	80%	0.804	68%	0.677	S	S	*	*			trans	58.8	79.6	138.9	0	0	0	0	0	120.9
624	S	29.6	Very low	45	Very low	119 Å²	119	109.1 Å²	109.1	83%	0.832	65%	0.65	S	S	*	*			trans	-143.8	117.4	137.4	-169.6	0	0	0	0	110.8	V626	S624-V626 PolarHBondContact O-N 2.87Å; S624-V626 VanDerWaalsContact O-N 3.17Å
625	A	34.2	Very low	48	Very low	96 Å²	96	103.4 Å²	103.4	79%	0.793	61%	0.613	S	S	*	*			trans	-88	83.2	-170.3	0	0	0	0	0	112.1	S627	A625-S627 PolarHBondContact O-N 3.24Å; A625-S627 VanDerWaalsContact O-N 3.07Å
626	V	38.4	Very low	50.7	Low	142 Å²	142	105.9 Å²	105.9	86%	0.861	61%	0.609	S	S	*	*			trans	-73.5	90.4	149.5	-175.2	0	0	0	0	106.1	S624	S624-V626 PolarHBondContact O-N 2.87Å; S624-V626 VanDerWaalsContact O-N 3.17Å
627	S	36.9	Very low	53	Low	75 Å²	75	100.8 Å²	100.8	52%	0.524	58%	0.575	S	S	.	*			trans	-59.8	145.6	-171.2	36.7	0	0	0	0	112.2	A625 T629	A625-S627 PolarHBondContact O-N 3.24Å; A625-S627 VanDerWaalsContact O-N 3.07Å; S627-T629 PolarHBondContact O-N 2.86Å; S627-T629 PolarHBondContact O-OG1 2.86Å; S627-T629 WeakPolarHBondContact OG-CG2 3.33Å
628	D	51.3	Low	54.9	Low	68 Å²	68	98.3 Å²	98.3	36%	0.364	57%	0.567	S	S	.	*			trans	-68.4	78.5	175.7	-158.1	58.9	0	0	0	108.8	I630 R714 R720	D628-I630 VanDerWaalsContact C-N 3.34Å; D628-I630 PolarHBondContact O-N 3.01Å; D628-R714 IonicContact OD1-NE 2.8Å; D628-R714 PolarHBondContact OD1-NE 3.27Å; D628-R714 IonicContact OD2-CZ 3.47Å; D628-R714 VanDerWaalsContact OD2-CZ 3.25Å; D628-R714 IonicContact OD2-NE 3.14Å; D628-R714 PolarHBondContact OD2-NE 3.27Å; D628-R714 IonicContact OD2-NH2 3.76Å; D628-R714 PolarHBondContact OD2-NH2 3.09Å; D628-R720 IonicContact OD1-CZ 2.74Å; D628-R720 IonicContact OD1-NH1 3Å; D628-R720 PolarHBondContact OD1-NH1 2.91Å; D628-R720 IonicContact OD1-NH2 2.7Å; D628-R720 PolarHBondContact OD1-NH2 3.09Å; D628-R720 VanDerWaalsContact OD1-NH2 3.16Å
629	T	61.3	Low	56.7	Low	81 Å²	81	92 Å²	92	50%	0.497	56%	0.564	S	S	.	*			trans	-82.6	80.4	-159.8	20.9	0	0	0	0	110.3	S627 S631	S627-T629 PolarHBondContact O-N 2.86Å; S627-T629 PolarHBondContact O-OG1 2.86Å; S627-T629 WeakPolarHBondContact OG-CG2 3.33Å; T629-S631 VanDerWaalsContact C-N 3.34Å; T629-S631 PolarHBondContact O-N 3.47Å; T629-S631 PolarHBondContact O-OG 2.84Å
630	I	80.4	Confident	58.7	Low	82 Å²	82	92.6 Å²	92.6	42%	0.421	57%	0.57	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-55.2	99.7	168.8	-58.5	-178.9	0	0	0	108.1	D628 L683 D712 V713	D628-I630 VanDerWaalsContact C-N 3.34Å; D628-I630 PolarHBondContact O-N 3.01Å; I630-L683 HydrophobicContact CB-CD1 4.48Å; I630-L683 HydrophobicContact CD1-CD1 3.65Å; I630-L683 HydrophobicContact CG1-CD1 3.68Å; I630-L683 HydrophobicContact CG2-CD1 4.12Å; I630-D712 HydrophobicContact CG2-CB 3.59Å; I630-V713 CarbonylContact C-O 3.53Å; I630-V713 WeakPolarHBondContact CA-O 3.46Å
631	S	84.6	Confident	61.2	Low	38 Å²	38	86.5 Å²	86.5	27%	0.266	54%	0.544	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	119.7	-174.3	-64.2	0	0	0	0	108.4	T629 V633 V713	T629-S631 VanDerWaalsContact C-N 3.34Å; T629-S631 PolarHBondContact O-N 3.47Å; T629-S631 PolarHBondContact O-OG 2.84Å; S631-V633 PolarHBondContact O-N 3.25Å; S631-V713 PolarHBondContact N-O 3.33Å; S631-V713 WeakPolarHBondContact O-CB 3.42Å; S631-V713 PolarHBondContact O-N 3.28Å
632	K	88.8	Confident	64.1	Low	158 Å²	158	82.4 Å²	82.4	69%	0.687	51%	0.514	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.5	110.5	177.9	-74.2	-174.4	170.4	-179	0	110.4	F711 D712	K632-F711 WeakPolarHBondContact CA-O 3.48Å; K632-D712 WeakPolarHBondContact CE-OD1 3.22Å; K632-D712 WeakPolarHBondContact CG-OD1 3.49Å; K632-D712 IonicContact NZ-OD1 2.61Å
633	V	90.9	Very high	67.1	Low	4 Å²	4	73.2 Å²	73.2	2%	0.024	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	112.3	-178.6	-174.8	0	0	0	0	109.4	S631 L635 R675 L676 F711 V713	S631-V633 PolarHBondContact O-N 3.25Å; V633-L635 HydrophobicContact CG1-CD2 3.95Å; V633-L635 HydrophobicContact CG1-CG 4.07Å; V633-R675 HydrophobicContact CG1-CB 4.16Å; V633-R675 HydrophobicContact CG2-CB 4.13Å; V633-L676 HydrophobicContact CB-CD2 4.06Å; V633-L676 HydrophobicContact CG1-CD1 4.47Å; V633-L676 HydrophobicContact CG1-CD2 4.08Å; V633-L676 HydrophobicContact CG1-CG 4.08Å; V633-L676 HydrophobicContact CG2-CD2 3.83Å; V633-F711 PolarHBondContact N-O 3.06Å; V633-F711 PolarHBondContact O-N 3.11Å; V633-V713 HydrophobicContact CG2-CG2 4.26Å
634	T	88.3	Confident	69.9	Low	42 Å²	42	71.1 Å²	71.1	26%	0.258	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	120.3	174.6	-52.5	0	0	0	0	109.7	R675 E708 V709 H710	T634-R675 PolarHBondContact O-NH2 3.22Å; T634-E708 HydrophobicContact CG2-CG 3.35Å; T634-E708 WeakPolarHBondContact CG2-OE1 3.44Å; T634-V709 CarbonylContact C-O 3.52Å; T634-V709 WeakPolarHBondContact CA-O 3.44Å; T634-H710 PolarHBondContact OG1-CD2 3.35Å
635	L	87.9	Confident	72.8	Confident	3 Å²	3	67.9 Å²	67.9	2%	0.016	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	143.1	178.6	-61.4	-177.9	0	0	0	111.1	V633 I642 A670 D673 L676 E708 V709 F711	V633-L635 HydrophobicContact CG1-CD2 3.95Å; V633-L635 HydrophobicContact CG1-CG 4.07Å; L635-I642 HydrophobicContact CB-CG2 4.19Å; L635-I642 HydrophobicContact CD1-CG2 3.49Å; L635-I642 VanDerWaalsContact CD1-CG2 3.49Å; L635-I642 HydrophobicContact CG-CG2 4.49Å; L635-A670 HydrophobicContact CD1-CB 3.9Å; L635-D673 HydrophobicContact CD2-CB 3.35Å; L635-L676 HydrophobicContact CD1-CD1 3.73Å; L635-E708 CarbonylContact O-C 3.59Å; L635-E708 WeakPolarHBondContact O-CA 3.4Å; L635-V709 PolarHBondContact N-O 3.14Å; L635-V709 PolarHBondContact O-N 2.8Å; L635-F711 HydrophobicContact CD1-CE2 4.25Å
636	R	82.4	Confident	75.5	Confident	167 Å²	167	64 Å²	64	63%	0.63	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.6	138.2	176.6	-64	-177.9	66.5	-161.8	0.5	111.2	P669 N707 E708	R636-P669 WeakPolarHBondContact O-CB 3.32Å; R636-P669 WeakPolarHBondContact O-CG 3.43Å; R636-N707 CarbonylContact C-O 3.59Å; R636-N707 VanDerWaalsContact CA-O 3.23Å; R636-N707 WeakPolarHBondContact CA-O 3.3Å; R636-E708 HydrophobicContact CG-CB 4.34Å; R636-E708 HydrophobicContact CG-CG 4.11Å
637	K	78.4	Confident	78	Confident	35 Å²	35	57.9 Å²	57.9	15%	0.152	35%	0.354	C	S	.	.			trans	-85.7	126.3	-178.2	-66.5	-178.3	-175.1	172.1	0	111.2	I642 M702 T703 S705 G706 N707 V709	K637-I642 HydrophobicContact CD-CG1 4.45Å; K637-I642 HydrophobicContact CG-CG1 3.92Å; K637-M702 VanDerWaalsContact CE-O 3.24Å; K637-M702 WeakPolarHBondContact CE-O 3.46Å; K637-M702 PolarHBondContact NZ-O 3.13Å; K637-T703 PolarHBondContact NZ-O 3.46Å; K637-S705 PolarHBondContact NZ-O 2.8Å; K637-G706 WeakPolarHBondContact CD-O 3.28Å; K637-G706 WeakPolarHBondContact CE-O 3.48Å; K637-G706 PolarHBondContact NZ-O 2.81Å; K637-N707 PolarHBondContact N-O 2.8Å; K637-V709 HydrophobicContact CD-CG2 4.42Å; K637-V709 VanDerWaalsContact CE-CG2 3.48Å; K637-V709 HydrophobicContact CG-CG2 4.3Å
638	N	66.6	Low	80.6	Confident	124 Å²	124	55.3 Å²	55.3	66%	0.663	34%	0.337	S	S	*	.			trans	-111.5	64.6	179.1	-68	-3.6	0	0	0	111.1	G640 P669	N638-G640 PolarHBondContact O-N 2.88Å; N638-P669 HydrophobicContact CB-CG 3.98Å
639	G	63.2	Low	82.2	Confident	86 Å²	86	52.5 Å²	52.5	89%	0.887	32%	0.323	S	S	*	.	S	Bend	trans	73.2	-55.1	176.2	0	0	0	0	0	115.2	G641	G639-G641 VanDerWaalsContact C-N 3.26Å; G639-G641 PolarHBondContact O-N 3.28Å
640	G	65.4	Low	83.5	Confident	81 Å²	81	53.5 Å²	53.5	84%	0.835	32%	0.323	S	S	*	.	S	Bend	trans	-83.2	21.6	179.3	0	0	0	0	0	115.5	N638	N638-G640 PolarHBondContact O-N 2.88Å
641	G	77.8	Confident	83.2	Confident	28 Å²	28	49.9 Å²	49.9	29%	0.289	31%	0.306	S	S	.	.			trans	86.5	-154.6	-178.7	0	0	0	0	0	114.8	G639	G639-G641 VanDerWaalsContact C-N 3.26Å; G639-G641 PolarHBondContact O-N 3.28Å
642	I	85.4	Confident	82.1	Confident	16 Å²	16	54.6 Å²	54.6	8%	0.082	33%	0.332	C	S	.	.			trans	-95.1	-35.1	-174.6	-54.3	174.2	0	0	0	111.7	L635 K637 L644 A670 M702 V709 F711	L635-I642 HydrophobicContact CB-CG2 4.19Å; L635-I642 HydrophobicContact CD1-CG2 3.49Å; L635-I642 VanDerWaalsContact CD1-CG2 3.49Å; L635-I642 HydrophobicContact CG-CG2 4.49Å; K637-I642 HydrophobicContact CD-CG1 4.45Å; K637-I642 HydrophobicContact CG-CG1 3.92Å; I642-L644 HydrophobicContact CG2-CD1 4.06Å; I642-L644 HydrophobicContact CG2-CG 4.19Å; I642-A670 HydrophobicContact CG2-CB 4.43Å; I642-A670 VanDerWaalsContact O-CB 3.3Å; I642-A670 WeakPolarHBondContact O-CB 3.4Å; I642-A670 PolarHBondContact O-N 3.28Å; I642-M702 HydrophobicContact CD1-CB 4.13Å; I642-V709 HydrophobicContact CD1-CB 4.16Å; I642-V709 HydrophobicContact CD1-CG1 4.08Å; I642-V709 HydrophobicContact CD1-CG2 3.85Å; I642-V709 HydrophobicContact CG1-CG2 4.41Å; I642-F711 HydrophobicContact CD1-CE2 4.32Å; I642-F711 HydrophobicContact CD1-CZ 3.99Å
643	G	87	Confident	80.5	Confident	15 Å²	15	50.7 Å²	50.7	16%	0.155	34%	0.337	C	S	.	.			trans	94.1	23.7	-179.3	0	0	0	0	0	116.5	V665 T668	G643-V665 PolarHBondContact O-N 2.77Å; G643-T668 WeakPolarHBondContact CA-OG1 3.4Å
644	L	89.1	Confident	79.4	Confident	34 Å²	34	52.7 Å²	52.7	18%	0.178	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	130.4	175.7	-63.7	171.2	0	0	0	111	I642 I646 V661 V664 A670 L676 F711	I642-L644 HydrophobicContact CG2-CD1 4.06Å; I642-L644 HydrophobicContact CG2-CG 4.19Å; L644-I646 HydrophobicContact CB-CG2 4.27Å; L644-V661 HydrophobicContact CD2-CG1 4.15Å; L644-V664 HydrophobicContact CD2-CG1 4.33Å; L644-V664 HydrophobicContact CD2-CG2 3.97Å; L644-A670 HydrophobicContact CD2-CB 3.69Å; L644-A670 HydrophobicContact CG-CB 3.91Å; L644-L676 HydrophobicContact CD1-CD1 3.57Å; L644-L676 HydrophobicContact CD2-CB 4.32Å; L644-L676 HydrophobicContact CD2-CD1 3.78Å; L644-L676 HydrophobicContact CG-CD1 4.23Å; L644-F711 HydrophobicContact CD1-CE2 4.36Å; L644-F711 HydrophobicContact CD1-CZ 4.3Å
645	S	89.6	Confident	78.4	Confident	50 Å²	50	62.1 Å²	62.1	35%	0.35	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	120	158.1	-179.8	0	0	0	0	108.1	K662 K663	S645-K662 PolarHBondContact O-N 3.25Å; S645-K663 WeakPolarHBondContact CB-O 3.42Å; S645-K663 PolarHBondContact N-O 2.84Å; S645-K663 PolarHBondContact O-N 3.07Å
646	I	92.3	Very high	77.9	Confident	15 Å²	15	67.7 Å²	67.7	8%	0.077	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	156.7	179.5	60.8	165.6	0	0	0	110.8	L644 I659 Y660 L682 Q695 A698 A699 M702	L644-I646 HydrophobicContact CB-CG2 4.27Å; I646-I659 HydrophobicContact CB-CG2 3.98Å; I646-I659 HydrophobicContact CD1-CG2 3.87Å; I646-I659 HydrophobicContact CG1-CG2 4.47Å; I646-I659 HydrophobicContact CG2-CG2 4.28Å; I646-Y660 CarbonylContact C-O 3.51Å; I646-Y660 VanDerWaalsContact CA-O 3.27Å; I646-Y660 WeakPolarHBondContact CA-O 3.47Å; I646-L682 HydrophobicContact CG2-CD1 3.91Å; I646-Q695 HydrophobicContact CD1-CG 4.47Å; I646-Q695 HydrophobicContact CG1-CG 4.33Å; I646-Q695 PolarHBondContact O-NE2 3.47Å; I646-A698 HydrophobicContact CD1-CB 4.03Å; I646-A699 HydrophobicContact CD1-CB 4.28Å; I646-M702 HydrophobicContact CD1-CE 3.8Å; I646-M702 HydrophobicContact CD1-SD 4Å; I646-M702 HydrophobicContact CG2-SD 4.49Å
647	V	90.4	Very high	77.8	Confident	13 Å²	13	63.1 Å²	63.1	8%	0.079	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	149.4	169	-69	0	0	0	0	111.5	I659 Y660 K662 W726 L727	V647-I659 WeakPolarHBondContact O-CA 3.35Å; V647-Y660 PolarHBondContact N-O 2.93Å; V647-Y660 PolarHBondContact O-N 3.38Å; V647-K662 HydrophobicContact CG1-CB 4.17Å; V647-K662 HydrophobicContact CG1-CD 3.66Å; V647-K662 HydrophobicContact CG2-CB 4.18Å; V647-W726 HydrophobicContact CB-CH2 4.26Å; V647-W726 HydrophobicContact CB-CZ3 4.31Å; V647-W726 HydrophobicContact CG2-CH2 4.11Å; V647-W726 HydrophobicContact CG2-CZ3 3.66Å; V647-L727 HydrophobicContact CG2-CD2 3.52Å
648	A	90.9	Very high	78.4	Confident	21 Å²	21	61.5 Å²	61.5	17%	0.174	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	130.3	166.7	0	0	0	0	0	109.9	M657 G658 I659 Q695	A648-M657 VanDerWaalsContact C-CE 3.5Å; A648-M657 HydrophobicContact CB-CE 3.74Å; A648-G658 WeakPolarHBondContact CA-O 3.37Å; A648-I659 HydrophobicContact CB-CD1 3.85Å; A648-Q695 HydrophobicContact CB-CB 3.89Å
649	A	86.5	Confident	79.7	Confident	9 Å²	9	55.6 Å²	55.6	7%	0.074	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	158.9	177.1	0	0	0	0	0	111.2	G658 Y660 L723 W726	A649-G658 PolarHBondContact N-O 3.42Å; A649-G658 PolarHBondContact O-N 2.73Å; A649-Y660 HydrophobicContact CB-CD2 4.02Å; A649-Y660 HydrophobicContact CB-CE2 4.18Å; A649-L723 HydrophobicContact CB-CD1 3.81Å; A649-L723 HydrophobicContact CB-CD2 4.18Å; A649-W726 HydrophobicContact CB-CE3 4.49Å; A649-W726 HydrophobicContact CB-CH2 4.47Å; A649-W726 HydrophobicContact CB-CZ3 3.88Å
650	Q	88.5	Confident	81.2	Confident	103 Å²	103	51.5 Å²	51.5	48%	0.481	31%	0.31	S	S	.	.			trans	-113	126.5	172.6	-174.7	170	-2.1	0	0	108.6	D654 M657	Q650-D654 HydrophobicContact CG-CB 4.05Å; Q650-D654 PolarHBondContact NE2-O 2.97Å; Q650-M657 HydrophobicContact CB-SD 3.72Å
651	G	73.8	Confident	82.6	Confident	6 Å²	6	47.7 Å²	47.7	6%	0.062	27%	0.271	C	S	.	.			trans	-73.4	160.8	176.1	0	0	0	0	0	113.1	G653 D654 N721	G651-G653 PolarHBondContact O-N 2.95Å; G651-G653 VanDerWaalsContact O-N 3.07Å; G651-D654 VanDerWaalsContact CA-OD2 3.26Å; G651-D654 WeakPolarHBondContact CA-OD2 3.49Å; G651-D654 PolarHBondContact N-OD2 2.72Å; G651-D654 PolarHBondContact O-N 3.17Å; G651-N721 VanDerWaalsContact CA-O 3.25Å; G651-N721 WeakPolarHBondContact CA-O 3.41Å
652	V	60.9	Low	83.2	Confident	137 Å²	137	50.8 Å²	50.8	83%	0.83	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	111.6	170.3	-177.7	0	0	0	0	108.4	N721	V652-N721 PolarHBondContact N-O 2.71Å
653	G	54.5	Low	83.4	Confident	75 Å²	75	54.6 Å²	54.6	77%	0.773	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.2	-10.5	-175.3	0	0	0	0	0	115.7	G651	G651-G653 PolarHBondContact O-N 2.95Å; G651-G653 VanDerWaalsContact O-N 3.07Å
654	D	68.6	Low	83.5	Confident	47 Å²	47	55.1 Å²	55.1	25%	0.251	29%	0.292	S	S	.	.			trans	-68.6	136.4	171.1	-80.1	-35.5	0	0	0	110.1	Q650 G651 Y660 N721	Q650-D654 HydrophobicContact CG-CB 4.05Å; Q650-D654 PolarHBondContact NE2-O 2.97Å; G651-D654 VanDerWaalsContact CA-OD2 3.26Å; G651-D654 WeakPolarHBondContact CA-OD2 3.49Å; G651-D654 PolarHBondContact N-OD2 2.72Å; G651-D654 PolarHBondContact O-N 3.17Å; D654-Y660 PolarHBondContact OD2-OH 3.47Å; D654-N721 VanDerWaalsContact CG-ND2 3.31Å; D654-N721 PolarHBondContact OD1-ND2 3.4Å; D654-N721 PolarHBondContact OD2-ND2 3.2Å
655	R	67.5	Low	83.5	Confident	240 Å²	240	56.6 Å²	56.6	91%	0.906	30%	0.303	S	S	*	.	S	Bend	trans	-87.6	-6.4	175.2	-66.3	-174.3	178.8	-174.3	-0.7	114.2
656	Q	76.7	Confident	83.2	Confident	120 Å²	120	61 Å²	61	56%	0.561	32%	0.318	S	S	*	.	S	Bend	trans	-146.3	152.3	-174.9	-67.7	-177.2	-23.2	0	0	110.4	I691	Q656-I691 HydrophobicContact CB-CG2 4.14Å
657	M	81.6	Confident	82.6	Confident	71 Å²	71	63.2 Å²	63.2	35%	0.35	34%	0.344	S	S	.	.			trans	-62	144.2	172.5	-65.4	-69.7	-71.4	0	0	111	A648 Q650 G692	A648-M657 VanDerWaalsContact C-CE 3.5Å; A648-M657 HydrophobicContact CB-CE 3.74Å; Q650-M657 HydrophobicContact CB-SD 3.72Å; M657-G692 PolarHBondContact O-N 3.31Å
658	G	90.4	Very high	82.5	Confident	1 Å²	1	63.9 Å²	63.9	1%	0.01	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	156.8	171.4	0	0	0	0	0	112.1	A648 A649 Y660	A648-G658 WeakPolarHBondContact CA-O 3.37Å; A649-G658 PolarHBondContact N-O 3.42Å; A649-G658 PolarHBondContact O-N 2.73Å; G658-Y660 VanDerWaalsContact O-CD2 3.3Å; G658-Y660 WeakPolarHBondContact O-CD2 3.19Å; G658-Y660 WeakPolarHBondContact O-CE2 3.16Å
659	I	94.7	Very high	82.2	Confident	0 Å²	0	64 Å²	64	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	122.3	176.9	-57.1	-60.5	0	0	0	109.6	I646 V647 A648 Q681 L682 L690 A698 M702	I646-I659 HydrophobicContact CB-CG2 3.98Å; I646-I659 HydrophobicContact CD1-CG2 3.87Å; I646-I659 HydrophobicContact CG1-CG2 4.47Å; I646-I659 HydrophobicContact CG2-CG2 4.28Å; V647-I659 WeakPolarHBondContact O-CA 3.35Å; A648-I659 HydrophobicContact CB-CD1 3.85Å; I659-Q681 CarbonylContact O-C 3.58Å; I659-Q681 WeakPolarHBondContact O-CA 3.3Å; I659-L682 HydrophobicContact CG2-CB 4.42Å; I659-L682 HydrophobicContact CG2-CD1 4.3Å; I659-L682 PolarHBondContact O-N 3.27Å; I659-L690 HydrophobicContact CB-CB 4.36Å; I659-L690 HydrophobicContact CG1-CB 4.02Å; I659-A698 HydrophobicContact CD1-CB 3.62Å; I659-A698 HydrophobicContact CG1-CB 3.67Å; I659-A698 HydrophobicContact CG2-CB 4.31Å; I659-M702 HydrophobicContact CG2-CE 4.21Å
660	Y	94.3	Very high	82.3	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	145.6	-177.5	-63.3	-94.3	0	0	0	111.4	I646 V647 A649 D654 G658 K662 D680 Q681 A717 A718 N721 L723	I646-Y660 CarbonylContact C-O 3.51Å; I646-Y660 VanDerWaalsContact CA-O 3.27Å; I646-Y660 WeakPolarHBondContact CA-O 3.47Å; V647-Y660 PolarHBondContact N-O 2.93Å; V647-Y660 PolarHBondContact O-N 3.38Å; A649-Y660 HydrophobicContact CB-CD2 4.02Å; A649-Y660 HydrophobicContact CB-CE2 4.18Å; D654-Y660 PolarHBondContact OD2-OH 3.47Å; G658-Y660 VanDerWaalsContact O-CD2 3.3Å; G658-Y660 WeakPolarHBondContact O-CD2 3.19Å; G658-Y660 WeakPolarHBondContact O-CE2 3.16Å; Y660-K662 PolarHBondContact O-N 3.14Å; Y660-D680 CarbonylContact C-O 3.55Å; Y660-D680 WeakPolarHBondContact CA-O 3.41Å; Y660-Q681 HydrophobicContact CD1-CB 3.81Å; Y660-Q681 HydrophobicContact CD1-CG 4.33Å; Y660-Q681 HydrophobicContact CE1-CB 3.71Å; Y660-Q681 HydrophobicContact CE1-CG 4.03Å; Y660-Q681 PolarHBondContact OH-NE2 2.88Å; Y660-A717 HydrophobicContact CE1-CB 3.97Å; Y660-A718 HydrophobicContact CD1-CB 4.16Å; Y660-A718 HydrophobicContact CE1-CB 4.46Å; Y660-N721 PolarHBondContact OH-ND2 3.34Å; Y660-L723 HydrophobicContact CD2-CD1 4.13Å; Y660-L723 HydrophobicContact CE1-CD1 4.07Å; Y660-L723 HydrophobicContact CE2-CD1 3.59Å
661	V	93.7	Very high	82.2	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	117.7	172.8	-179.4	0	0	0	0	109.2	L644 V664 E677 T678 G679 D680 L682	L644-V661 HydrophobicContact CD2-CG1 4.15Å; V661-V664 HydrophobicContact CG1-CG2 3.94Å; V661-E677 WeakPolarHBondContact CB-O 3.42Å; V661-T678 WeakPolarHBondContact O-CA 3.27Å; V661-G679 PolarHBondContact O-N 3.39Å; V661-D680 HydrophobicContact CG2-CB 4.29Å; V661-D680 PolarHBondContact N-O 3.11Å; V661-L682 HydrophobicContact CG2-CD1 4.26Å; V661-L682 HydrophobicContact CG2-CD2 4.02Å; V661-L682 HydrophobicContact CG2-CG 4.11Å
662	K	90.5	Very high	82.7	Confident	93 Å²	93	67.2 Å²	67.2	40%	0.404	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-42.2	176.4	-179.3	166.1	179	168.9	0	112.5	S645 V647 Y660 T678 L727	S645-K662 PolarHBondContact O-N 3.25Å; V647-K662 HydrophobicContact CG1-CB 4.17Å; V647-K662 HydrophobicContact CG1-CD 3.66Å; V647-K662 HydrophobicContact CG2-CB 4.18Å; Y660-K662 PolarHBondContact O-N 3.14Å; K662-T678 WeakPolarHBondContact O-CG2 3.34Å; K662-T678 PolarHBondContact O-OG1 2.84Å; K662-L727 HydrophobicContact CB-CD2 3.85Å; K662-L727 HydrophobicContact CG-CD2 4.14Å
663	K	89.8	Confident	83.9	Confident	96 Å²	96	63.2 Å²	63.2	42%	0.417	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	139.8	173.1	179.4	164.5	-177	172.8	0	110.6	S645 T678	S645-K663 WeakPolarHBondContact CB-O 3.42Å; S645-K663 PolarHBondContact N-O 2.84Å; S645-K663 PolarHBondContact O-N 3.07Å; K663-T678 WeakPolarHBondContact CA-OG1 3.34Å
664	V	90.1	Very high	85.4	Confident	26 Å²	26	61.9 Å²	61.9	16%	0.158	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	131.8	162.2	-169.7	0	0	0	0	107.9	L644 V661 A670 A671 L676	L644-V664 HydrophobicContact CD2-CG1 4.33Å; L644-V664 HydrophobicContact CD2-CG2 3.97Å; V661-V664 HydrophobicContact CG1-CG2 3.94Å; V664-A670 HydrophobicContact CG1-CB 3.73Å; V664-A671 HydrophobicContact CG1-CB 3.99Å; V664-L676 HydrophobicContact CG2-CB 4.46Å; V664-L676 WeakPolarHBondContact CG2-O 3.31Å
665	V	88.4	Confident	86.3	Confident	66 Å²	66	64.9 Å²	64.9	40%	0.4	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-89.5	122.3	-174	-177.7	0	0	0	0	109.6	G643 T668 A671	G643-V665 PolarHBondContact O-N 2.77Å; V665-T668 HydrophobicContact CB-CG2 3.74Å; V665-T668 HydrophobicContact CG1-CG2 3.73Å; V665-T668 WeakPolarHBondContact O-CB 3.29Å; V665-T668 WeakPolarHBondContact O-CG2 3.38Å; V665-T668 PolarHBondContact O-N 3.46Å; V665-T668 PolarHBondContact O-OG1 2.94Å; V665-A671 WeakPolarHBondContact O-CB 3.5Å
666	E	83.9	Confident	87.4	Confident	143 Å²	143	53.8 Å²	53.8	67%	0.668	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	145.2	179.1	-69.5	156.6	-125.5	0	0	112.1	T668	E666-T668 VanDerWaalsContact C-N 3.26Å; E666-T668 PolarHBondContact O-N 3.3Å
667	G	79.5	Confident	88.1	Confident	60 Å²	60	51.8 Å²	51.8	62%	0.619	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.7	9.1	-177.8	0	0	0	0	0	115.8	H672	G667-H672 PolarHBondContact O-NE2 2.99Å
668	T	87.4	Confident	88.5	Confident	27 Å²	27	51.9 Å²	51.9	17%	0.166	29%	0.287	C	S	.	.	S	Bend	trans	-106.3	165.7	178.1	70.4	0	0	0	0	112.5	G643 V665 E666 A670 A671 H672	G643-T668 WeakPolarHBondContact CA-OG1 3.4Å; V665-T668 HydrophobicContact CB-CG2 3.74Å; V665-T668 HydrophobicContact CG1-CG2 3.73Å; V665-T668 WeakPolarHBondContact O-CB 3.29Å; V665-T668 WeakPolarHBondContact O-CG2 3.38Å; V665-T668 PolarHBondContact O-N 3.46Å; V665-T668 PolarHBondContact O-OG1 2.94Å; E666-T668 VanDerWaalsContact C-N 3.26Å; E666-T668 PolarHBondContact O-N 3.3Å; T668-A670 VanDerWaalsContact C-N 3.27Å; T668-A670 PolarHBondContact O-N 3.09Å; T668-A671 PolarHBondContact O-N 3.43Å; T668-H672 PolarHBondContact O-CD2 3.31Å; T668-H672 PolarHBondContact O-N 2.66Å
669	P	85.6	Confident	88.4	Confident	25 Å²	25	52.2 Å²	52.2	16%	0.162	29%	0.29	C	S	.	.	H	α-helix	trans	-54	-37.9	178.4	-28.6	36.9	0	0	0	114.5	R636 N638 H672 D673	R636-P669 WeakPolarHBondContact O-CB 3.32Å; R636-P669 WeakPolarHBondContact O-CG 3.43Å; N638-P669 HydrophobicContact CB-CG 3.98Å; P669-H672 PolarHBondContact O-N 3.39Å; P669-D673 VanDerWaalsContact O-CB 3.28Å; P669-D673 WeakPolarHBondContact O-CB 3.3Å; P669-D673 PolarHBondContact O-N 3.37Å
670	A	87.6	Confident	88.3	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-66.7	-37.8	175.9	0	0	0	0	0	113.3	L635 I642 L644 V664 T668 G674	L635-A670 HydrophobicContact CD1-CB 3.9Å; I642-A670 HydrophobicContact CG2-CB 4.43Å; I642-A670 VanDerWaalsContact O-CB 3.3Å; I642-A670 WeakPolarHBondContact O-CB 3.4Å; I642-A670 PolarHBondContact O-N 3.28Å; L644-A670 HydrophobicContact CD2-CB 3.69Å; L644-A670 HydrophobicContact CG-CB 3.91Å; V664-A670 HydrophobicContact CG1-CB 3.73Å; T668-A670 VanDerWaalsContact C-N 3.27Å; T668-A670 PolarHBondContact O-N 3.09Å; A670-G674 PolarHBondContact O-N 3.46Å; A670-G674 VanDerWaalsContact O-N 3.07Å
671	A	86.6	Confident	88.3	Confident	37 Å²	37	52.6 Å²	52.6	31%	0.306	29%	0.292	S	S	.	.	H	α-helix	trans	-73.1	-35.6	175.5	0	0	0	0	0	112.6	V664 V665 T668 G674	V664-A671 HydrophobicContact CG1-CB 3.99Å; V665-A671 WeakPolarHBondContact O-CB 3.5Å; T668-A671 PolarHBondContact O-N 3.43Å; A671-G674 PolarHBondContact O-N 2.93Å
672	H	84.9	Confident	88.3	Confident	148 Å²	148	52.6 Å²	52.6	69%	0.685	29%	0.292	S	S	*	.	H	α-helix	trans	-71.9	-30.5	176.2	-72.2	-57.1	0	0	0	113.2	G667 T668 P669	G667-H672 PolarHBondContact O-NE2 2.99Å; T668-H672 PolarHBondContact O-CD2 3.31Å; T668-H672 PolarHBondContact O-N 2.66Å; P669-H672 PolarHBondContact O-N 3.39Å
673	D	85.8	Confident	88.5	Confident	53 Å²	53	49.1 Å²	49.1	28%	0.283	28%	0.278	S	S	.	.	H	α-helix	trans	-75	-36.1	172.3	-177.2	-90.8	0	0	0	112.3	L635 P669 R675	L635-D673 HydrophobicContact CD2-CB 3.35Å; P669-D673 VanDerWaalsContact O-CB 3.28Å; P669-D673 WeakPolarHBondContact O-CB 3.3Å; P669-D673 PolarHBondContact O-N 3.37Å; D673-R675 VanDerWaalsContact CG-NE 3.34Å; D673-R675 PolarHBondContact O-N 3.33Å; D673-R675 VanDerWaalsContact OD1-CB 3.23Å; D673-R675 WeakPolarHBondContact OD1-CB 3.24Å; D673-R675 WeakPolarHBondContact OD1-CG 3.38Å; D673-R675 IonicContact OD1-CZ 3.64Å; D673-R675 PolarHBondContact OD1-N 3.45Å; D673-R675 IonicContact OD1-NE 3.76Å; D673-R675 PolarHBondContact OD1-NE 2.85Å; D673-R675 IonicContact OD1-NH2 3.36Å; D673-R675 PolarHBondContact OD1-NH2 3.35Å; D673-R675 IonicContact OD2-CZ 3.67Å; D673-R675 IonicContact OD2-NE 3.24Å; D673-R675 PolarHBondContact OD2-NE 3.47Å; D673-R675 VanDerWaalsContact OD2-NE 3.14Å; D673-R675 IonicContact OD2-NH2 2.73Å; D673-R675 PolarHBondContact OD2-NH2 3.17Å
674	G	85.4	Confident	88.6	Confident	47 Å²	47	45.1 Å²	45.1	49%	0.485	26%	0.262	S	S	.	.			trans	69.7	-7.4	172.3	0	0	0	0	0	116	A670 A671 L676	A670-G674 PolarHBondContact O-N 3.46Å; A670-G674 VanDerWaalsContact O-N 3.07Å; A671-G674 PolarHBondContact O-N 2.93Å; G674-L676 VanDerWaalsContact C-N 3.26Å; G674-L676 PolarHBondContact O-N 3.03Å
675	R	88.5	Confident	88.8	Confident	109 Å²	109	43.9 Å²	43.9	41%	0.411	25%	0.254	S	S	.	.			trans	-79.5	-0.6	-177.6	-59.6	177.1	-69.3	165.6	-5.5	114.2	V633 T634 D673 K715	V633-R675 HydrophobicContact CG1-CB 4.16Å; V633-R675 HydrophobicContact CG2-CB 4.13Å; T634-R675 PolarHBondContact O-NH2 3.22Å; D673-R675 VanDerWaalsContact CG-NE 3.34Å; D673-R675 PolarHBondContact O-N 3.33Å; D673-R675 VanDerWaalsContact OD1-CB 3.23Å; D673-R675 WeakPolarHBondContact OD1-CB 3.24Å; D673-R675 WeakPolarHBondContact OD1-CG 3.38Å; D673-R675 IonicContact OD1-CZ 3.64Å; D673-R675 PolarHBondContact OD1-N 3.45Å; D673-R675 IonicContact OD1-NE 3.76Å; D673-R675 PolarHBondContact OD1-NE 2.85Å; D673-R675 IonicContact OD1-NH2 3.36Å; D673-R675 PolarHBondContact OD1-NH2 3.35Å; D673-R675 IonicContact OD2-CZ 3.67Å; D673-R675 IonicContact OD2-NE 3.24Å; D673-R675 PolarHBondContact OD2-NE 3.47Å; D673-R675 VanDerWaalsContact OD2-NE 3.14Å; D673-R675 IonicContact OD2-NH2 2.73Å; D673-R675 PolarHBondContact OD2-NH2 3.17Å; R675-K715 VanDerWaalsContact O-CE 3.24Å; R675-K715 WeakPolarHBondContact O-CE 3.47Å; R675-K715 PolarHBondContact O-NZ 3Å
676	L	90.3	Very high	88.8	Confident	7 Å²	7	43.4 Å²	43.4	4%	0.037	25%	0.25	C	C	.	.			trans	-113	137.3	173.2	-59.8	-179.3	0	0	0	110.4	V633 L635 L644 V664 G674 V713	V633-L676 HydrophobicContact CB-CD2 4.06Å; V633-L676 HydrophobicContact CG1-CD1 4.47Å; V633-L676 HydrophobicContact CG1-CD2 4.08Å; V633-L676 HydrophobicContact CG1-CG 4.08Å; V633-L676 HydrophobicContact CG2-CD2 3.83Å; L635-L676 HydrophobicContact CD1-CD1 3.73Å; L644-L676 HydrophobicContact CD1-CD1 3.57Å; L644-L676 HydrophobicContact CD2-CB 4.32Å; L644-L676 HydrophobicContact CD2-CD1 3.78Å; L644-L676 HydrophobicContact CG-CD1 4.23Å; V664-L676 HydrophobicContact CG2-CB 4.46Å; V664-L676 WeakPolarHBondContact CG2-O 3.31Å; G674-L676 VanDerWaalsContact C-N 3.26Å; G674-L676 PolarHBondContact O-N 3.03Å; L676-V713 HydrophobicContact CD2-CB 4.47Å; L676-V713 HydrophobicContact CD2-CG1 4.1Å; L676-V713 HydrophobicContact CD2-CG2 3.84Å
677	E	90.6	Very high	88.7	Confident	79 Å²	79	39.7 Å²	39.7	37%	0.369	25%	0.25	S	C	.	.			trans	-125.1	155	-178.7	-63	177.9	151.5	0	0	110.1	V661 G679 D680 K715 R716	V661-E677 WeakPolarHBondContact CB-O 3.42Å; E677-G679 PolarHBondContact O-N 2.96Å; E677-D680 PolarHBondContact N-OD2 2.76Å; E677-D680 WeakPolarHBondContact O-CB 3.29Å; E677-D680 PolarHBondContact O-N 3.42Å; E677-K715 IonicContact OE2-NZ 3.55Å; E677-R716 IonicContact OE2-NE 3.25Å; E677-R716 IonicContact OE2-NH2 2.74Å
678	T	90.1	Very high	89	Confident	73 Å²	73	42.3 Å²	42.3	45%	0.448	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	130.5	168.5	-73	0	0	0	0	109.8	V661 K662 K663 L727	V661-T678 WeakPolarHBondContact O-CA 3.27Å; K662-T678 WeakPolarHBondContact O-CG2 3.34Å; K662-T678 PolarHBondContact O-OG1 2.84Å; K663-T678 WeakPolarHBondContact CA-OG1 3.34Å; T678-L727 HydrophobicContact CG2-CB 4.35Å
679	G	88.3	Confident	89.1	Confident	8 Å²	8	44.4 Å²	44.4	8%	0.082	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	95.6	-2.5	-176.3	0	0	0	0	0	115.4	V661 E677 R716 A717 A718	V661-G679 PolarHBondContact O-N 3.39Å; E677-G679 PolarHBondContact O-N 2.96Å; G679-R716 CarbonylContact O-C 3.48Å; G679-A717 PolarHBondContact O-N 3.27Å; G679-A718 VanDerWaalsContact O-CB 3.27Å; G679-A718 WeakPolarHBondContact O-CB 3.34Å; G679-A718 PolarHBondContact O-N 2.99Å
680	D	94	Very high	89.4	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	25%	0.253	C	S	.	.			trans	-70.7	143.3	167.4	-73.2	-22.3	0	0	0	111.5	Y660 V661 E677 V713 K715 R716	Y660-D680 CarbonylContact C-O 3.55Å; Y660-D680 WeakPolarHBondContact CA-O 3.41Å; V661-D680 HydrophobicContact CG2-CB 4.29Å; V661-D680 PolarHBondContact N-O 3.11Å; E677-D680 PolarHBondContact N-OD2 2.76Å; E677-D680 WeakPolarHBondContact O-CB 3.29Å; E677-D680 PolarHBondContact O-N 3.42Å; D680-V713 HydrophobicContact CB-CG1 3.79Å; D680-K715 VanDerWaalsContact CG-CD 3.5Å; D680-K715 VanDerWaalsContact OD1-CA 3.31Å; D680-K715 WeakPolarHBondContact OD1-CA 3.23Å; D680-K715 WeakPolarHBondContact OD1-CD 3.18Å; D680-K715 IonicContact OD1-NZ 2.68Å; D680-K715 WeakPolarHBondContact OD2-CD 3.36Å; D680-K715 WeakPolarHBondContact OD2-CE 3.41Å; D680-K715 IonicContact OD2-NZ 3.18Å; D680-K715 PolarHBondContact OD2-NZ 3.12Å; D680-R716 PolarHBondContact OD1-N 2.92Å
681	Q	93.7	Very high	89.5	Confident	7 Å²	7	45.8 Å²	45.8	3%	0.033	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	126.2	173	179.5	-174.9	48.4	0	0	110	I659 Y660 L683 V713 R714 A717	I659-Q681 CarbonylContact O-C 3.58Å; I659-Q681 WeakPolarHBondContact O-CA 3.3Å; Y660-Q681 HydrophobicContact CD1-CB 3.81Å; Y660-Q681 HydrophobicContact CD1-CG 4.33Å; Y660-Q681 HydrophobicContact CE1-CB 3.71Å; Y660-Q681 HydrophobicContact CE1-CG 4.03Å; Y660-Q681 PolarHBondContact OH-NE2 2.88Å; Q681-L683 HydrophobicContact CG-CD2 3.9Å; Q681-L683 VanDerWaalsContact OE1-CD2 3.3Å; Q681-V713 CarbonylContact O-C 3.5Å; Q681-V713 WeakPolarHBondContact O-CA 3.3Å; Q681-R714 HydrophobicContact CB-CB 4.38Å; Q681-R714 PolarHBondContact N-O 3.04Å; Q681-R714 PolarHBondContact O-N 3.08Å; Q681-A717 HydrophobicContact CB-CB 3.34Å; Q681-A717 HydrophobicContact CG-CB 4.44Å
682	L	94.4	Very high	89.3	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	113.5	173.4	-51.4	178.9	0	0	0	107.7	I646 I659 V661 L690 M702 F711 V713	I646-L682 HydrophobicContact CG2-CD1 3.91Å; I659-L682 HydrophobicContact CG2-CB 4.42Å; I659-L682 HydrophobicContact CG2-CD1 4.3Å; I659-L682 PolarHBondContact O-N 3.27Å; V661-L682 HydrophobicContact CG2-CD1 4.26Å; V661-L682 HydrophobicContact CG2-CD2 4.02Å; V661-L682 HydrophobicContact CG2-CG 4.11Å; L682-L690 HydrophobicContact CB-CD1 3.51Å; L682-L690 WeakPolarHBondContact O-CB 3.32Å; L682-M702 HydrophobicContact CD1-CE 3.62Å; L682-M702 HydrophobicContact CD1-SD 4.34Å; L682-F711 HydrophobicContact CD1-CD1 4.21Å; L682-F711 HydrophobicContact CD1-CE1 4.09Å; L682-F711 HydrophobicContact CD2-CB 4.49Å; L682-F711 HydrophobicContact CD2-CD1 4.22Å; L682-F711 HydrophobicContact CD2-CG 4.44Å; L682-V713 HydrophobicContact CD2-CG1 4.19Å; L682-V713 HydrophobicContact CD2-CG2 3.74Å
683	L	93.2	Very high	89.2	Confident	21 Å²	21	41.4 Å²	41.4	11%	0.11	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	-36.1	-178.1	-53.9	-179.4	0	0	0	112.2	I630 Q681 L690 I691 D712 R714	I630-L683 HydrophobicContact CB-CD1 4.48Å; I630-L683 HydrophobicContact CD1-CD1 3.65Å; I630-L683 HydrophobicContact CG1-CD1 3.68Å; I630-L683 HydrophobicContact CG2-CD1 4.12Å; Q681-L683 HydrophobicContact CG-CD2 3.9Å; Q681-L683 VanDerWaalsContact OE1-CD2 3.3Å; L683-L690 PolarHBondContact O-N 3.22Å; L683-I691 HydrophobicContact CD2-CD1 3.94Å; L683-D712 WeakPolarHBondContact CA-O 3.47Å; L683-D712 HydrophobicContact CB-CB 4.21Å; L683-D712 WeakPolarHBondContact CB-O 3.29Å; L683-D712 PolarHBondContact N-O 2.77Å; L683-R714 HydrophobicContact CD1-CB 4.14Å; L683-R714 HydrophobicContact CD2-CB 4.08Å; L683-R714 HydrophobicContact CG-CB 4.21Å
684	S	92.6	Very high	89.3	Confident	11 Å²	11	40.9 Å²	40.9	8%	0.077	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	158.3	177	103.8	0	0	0	0	111.6	H688 F711 D712	S684-H688 CarbonylContact C-O 3.58Å; S684-H688 WeakPolarHBondContact CA-O 3.38Å; S684-H688 WeakPolarHBondContact CB-O 3.4Å; S684-F711 WeakPolarHBondContact O-CA 3.34Å; S684-D712 WeakPolarHBondContact CB-OD2 3.34Å; S684-D712 PolarHBondContact N-O 3.48Å; S684-D712 PolarHBondContact O-N 3.05Å; S684-D712 PolarHBondContact OG-OD2 3.37Å
685	V	93.3	Very high	89.5	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	122.7	163.6	64.4	0	0	0	0	110.1	G687 H688 L690 L701 M702 V709 H710 F711	V685-G687 PolarHBondContact O-N 3.37Å; V685-G687 VanDerWaalsContact O-N 3.07Å; V685-H688 PolarHBondContact N-O 3.44Å; V685-H688 WeakPolarHBondContact O-CB 3.47Å; V685-H688 PolarHBondContact O-N 2.99Å; V685-L690 HydrophobicContact CB-CD1 4.18Å; V685-L690 HydrophobicContact CB-CD2 4.45Å; V685-L690 HydrophobicContact CB-CG 4.48Å; V685-L690 HydrophobicContact CG1-CD1 4.35Å; V685-L690 HydrophobicContact CG1-CD2 3.74Å; V685-L690 HydrophobicContact CG1-CG 4.21Å; V685-L701 HydrophobicContact CG1-CB 3.61Å; V685-L701 HydrophobicContact CG1-CD1 4.31Å; V685-M702 HydrophobicContact CB-CG 4.39Å; V685-M702 HydrophobicContact CG1-CG 4.44Å; V685-M702 HydrophobicContact CG2-CG 4Å; V685-V709 HydrophobicContact CG2-CG1 3.38Å; V685-H710 CarbonylContact C-O 3.59Å; V685-H710 WeakPolarHBondContact CA-O 3.41Å; V685-F711 HydrophobicContact CB-CD1 4.03Å; V685-F711 HydrophobicContact CB-CE1 3.91Å; V685-F711 HydrophobicContact CG2-CD1 4.02Å; V685-F711 HydrophobicContact CG2-CE1 3.61Å; V685-F711 HydrophobicContact CG2-CZ 4.14Å
686	N	88.8	Confident	89.5	Confident	57 Å²	57	44.4 Å²	44.4	31%	0.305	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.4	34.9	-174.9	-75.4	-33.7	0	0	0	113.4	S705 H710	N686-S705 WeakPolarHBondContact ND2-CB 3.42Å; N686-S705 PolarHBondContact ND2-OG 2.8Å; N686-H710 PolarHBondContact N-O 2.95Å; N686-H710 WeakPolarHBondContact OD1-CB 3.3Å; N686-H710 PolarHBondContact OD1-N 2.82Å; N686-H710 PolarHBondContact OD1-ND1 3.46Å
687	G	82.7	Confident	89.3	Confident	65 Å²	65	46.9 Å²	46.9	67%	0.67	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.7	-8.5	-178.5	0	0	0	0	0	115.6	V685	V685-G687 PolarHBondContact O-N 3.37Å; V685-G687 VanDerWaalsContact O-N 3.07Å
688	H	86.1	Confident	89.2	Confident	115 Å²	115	43.1 Å²	43.1	53%	0.532	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	125.1	171.5	-64	-76.4	0	0	0	110.5	S684 V685 L701	S684-H688 CarbonylContact C-O 3.58Å; S684-H688 WeakPolarHBondContact CA-O 3.38Å; S684-H688 WeakPolarHBondContact CB-O 3.4Å; V685-H688 PolarHBondContact N-O 3.44Å; V685-H688 WeakPolarHBondContact O-CB 3.47Å; V685-H688 PolarHBondContact O-N 2.99Å; H688-L701 HydrophobicContact CB-CD1 4.22Å; H688-L701 HydrophobicContact CB-CD2 4.5Å
689	S	89.7	Confident	89	Confident	70 Å²	70	41.5 Å²	41.5	49%	0.49	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	136.7	175.5	-177.4	0	0	0	0	111.6	I691	S689-I691 PolarHBondContact OG-N 3.35Å
690	L	90.3	Very high	88.8	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.269	C	S	.	.			trans	-102.7	1.3	172.5	-64.9	176.6	0	0	0	112.3	I659 L682 L683 V685 I693 A698 L701 M702	I659-L690 HydrophobicContact CB-CB 4.36Å; I659-L690 HydrophobicContact CG1-CB 4.02Å; L682-L690 HydrophobicContact CB-CD1 3.51Å; L682-L690 WeakPolarHBondContact O-CB 3.32Å; L683-L690 PolarHBondContact O-N 3.22Å; V685-L690 HydrophobicContact CB-CD1 4.18Å; V685-L690 HydrophobicContact CB-CD2 4.45Å; V685-L690 HydrophobicContact CB-CG 4.48Å; V685-L690 HydrophobicContact CG1-CD1 4.35Å; V685-L690 HydrophobicContact CG1-CD2 3.74Å; V685-L690 HydrophobicContact CG1-CG 4.21Å; L690-I693 HydrophobicContact CD2-CD1 3.67Å; L690-A698 HydrophobicContact CD2-CB 3.85Å; L690-L701 HydrophobicContact CD2-CD1 4.23Å; L690-M702 HydrophobicContact CD1-CE 3.74Å; L690-M702 HydrophobicContact CD2-CE 4.3Å
691	I	89.5	Confident	88.4	Confident	55 Å²	55	48.9 Å²	48.9	28%	0.282	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	131.1	176.4	-51.1	-56.4	0	0	0	109.6	Q656 L683 S689 I693	Q656-I691 HydrophobicContact CB-CG2 4.14Å; L683-I691 HydrophobicContact CD2-CD1 3.94Å; S689-I691 PolarHBondContact OG-N 3.35Å; I691-I693 VanDerWaalsContact C-N 3.33Å; I691-I693 PolarHBondContact O-N 3.44Å
692	G	82.7	Confident	88.1	Confident	46 Å²	46	49.1 Å²	49.1	47%	0.474	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.4	-0.2	177.7	0	0	0	0	0	115.9	M657	M657-G692 PolarHBondContact O-N 3.31Å
693	I	84.3	Confident	87.5	Confident	47 Å²	47	54.2 Å²	54.2	24%	0.241	31%	0.313	C	S	.	.			trans	-99.1	164	-178.1	76.1	170	0	0	0	112.8	L690 I691 D697 A698 L701	L690-I693 HydrophobicContact CD2-CD1 3.67Å; I691-I693 VanDerWaalsContact C-N 3.33Å; I691-I693 PolarHBondContact O-N 3.44Å; I693-D697 HydrophobicContact CD1-CB 4.27Å; I693-A698 HydrophobicContact CD1-CB 3.97Å; I693-A698 HydrophobicContact CG1-CB 4.31Å; I693-L701 HydrophobicContact CD1-CD1 3.79Å
694	S	87.1	Confident	86.8	Confident	41 Å²	41	60 Å²	60	29%	0.287	34%	0.34	S	S	.	.			trans	-72.5	157.5	177.1	80.5	0	0	0	0	112.5	E696 D697 A698	S694-E696 PolarHBondContact O-N 3.17Å; S694-E696 PolarHBondContact OG-N 3.05Å; S694-D697 WeakPolarHBondContact CB-OD2 3.23Å; S694-D697 PolarHBondContact O-N 2.89Å; S694-D697 WeakPolarHBondContact OG-CB 3.2Å; S694-D697 PolarHBondContact OG-N 3.03Å; S694-D697 PolarHBondContact OG-OD2 3.33Å; S694-A698 WeakPolarHBondContact O-CB 3.47Å; S694-A698 PolarHBondContact O-N 3.27Å
695	Q	90.3	Very high	86	Confident	85 Å²	85	60.5 Å²	60.5	40%	0.397	34%	0.343	S	S	.	.	H	α-helix	trans	-58.2	-35.9	172.1	-176.3	179.5	-40.8	0	0	112.1	I646 A648 A699	I646-Q695 HydrophobicContact CD1-CG 4.47Å; I646-Q695 HydrophobicContact CG1-CG 4.33Å; I646-Q695 PolarHBondContact O-NE2 3.47Å; A648-Q695 HydrophobicContact CB-CB 3.89Å; Q695-A699 VanDerWaalsContact O-CB 3.28Å; Q695-A699 WeakPolarHBondContact O-CB 3.38Å; Q695-A699 PolarHBondContact O-N 3.32Å
696	E	88.1	Confident	85.2	Confident	146 Å²	146	62.8 Å²	62.8	68%	0.682	37%	0.366	S	S	*	.	H	α-helix	trans	-71.4	-40.6	-179.7	-67.7	149.5	-135.8	0	0	112.1	S694 R700	S694-E696 PolarHBondContact O-N 3.17Å; S694-E696 PolarHBondContact OG-N 3.05Å; E696-R700 VanDerWaalsContact O-CB 3.27Å; E696-R700 WeakPolarHBondContact O-CB 3.38Å; E696-R700 PolarHBondContact O-N 2.68Å
697	D	85.8	Confident	84.8	Confident	59 Å²	59	66.1 Å²	66.1	32%	0.316	38%	0.384	S	S	.	.	H	α-helix	trans	-69.3	-40.5	175	-62.4	-53.6	0	0	0	110.8	I693 S694 R700 L701	I693-D697 HydrophobicContact CD1-CB 4.27Å; S694-D697 WeakPolarHBondContact CB-OD2 3.23Å; S694-D697 PolarHBondContact O-N 2.89Å; S694-D697 WeakPolarHBondContact OG-CB 3.2Å; S694-D697 PolarHBondContact OG-N 3.03Å; S694-D697 PolarHBondContact OG-OD2 3.33Å; D697-R700 WeakPolarHBondContact O-CB 3.25Å; D697-R700 PolarHBondContact O-N 3.11Å; D697-R700 IonicContact OD1-CZ 2.66Å; D697-R700 IonicContact OD1-NH1 3.97Å; D697-R700 PolarHBondContact OD1-NH1 3.16Å; D697-R700 IonicContact OD1-NH2 3.32Å; D697-R700 PolarHBondContact OD1-NH2 2.88Å; D697-L701 WeakPolarHBondContact O-CG 3.18Å; D697-L701 PolarHBondContact O-N 3.46Å
698	A	87.6	Confident	84.8	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-59.8	-49.2	173.1	0	0	0	0	0	112	I646 I659 L690 I693 S694 R700 L701 M702	I646-A698 HydrophobicContact CD1-CB 4.03Å; I659-A698 HydrophobicContact CD1-CB 3.62Å; I659-A698 HydrophobicContact CG1-CB 3.67Å; I659-A698 HydrophobicContact CG2-CB 4.31Å; L690-A698 HydrophobicContact CD2-CB 3.85Å; I693-A698 HydrophobicContact CD1-CB 3.97Å; I693-A698 HydrophobicContact CG1-CB 4.31Å; S694-A698 WeakPolarHBondContact O-CB 3.47Å; S694-A698 PolarHBondContact O-N 3.27Å; A698-R700 VanDerWaalsContact C-N 3.28Å; A698-R700 PolarHBondContact O-N 2.98Å; A698-L701 PolarHBondContact O-N 3.44Å; A698-M702 HydrophobicContact CB-CE 4.19Å; A698-M702 VanDerWaalsContact O-CG 3.29Å; A698-M702 WeakPolarHBondContact O-CG 3.32Å; A698-M702 PolarHBondContact O-N 3.37Å
699	A	86.6	Confident	85	Confident	38 Å²	38	61.9 Å²	61.9	31%	0.314	35%	0.347	S	S	.	.	H	α-helix	trans	-61.2	-36.9	174.7	0	0	0	0	0	111.9	I646 Q695 M702 T703	I646-A699 HydrophobicContact CD1-CB 4.28Å; Q695-A699 VanDerWaalsContact O-CB 3.28Å; Q695-A699 WeakPolarHBondContact O-CB 3.38Å; Q695-A699 PolarHBondContact O-N 3.32Å; A699-M702 PolarHBondContact O-N 2.64Å; A699-T703 VanDerWaalsContact O-CB 3.27Å; A699-T703 WeakPolarHBondContact O-CB 3.23Å; A699-T703 PolarHBondContact O-N 3.45Å; A699-T703 PolarHBondContact O-OG1 3.41Å
700	R	84.6	Confident	85	Confident	118 Å²	118	62.7 Å²	62.7	45%	0.445	34%	0.343	S	S	.	.	H	α-helix	trans	-66.1	-45.4	176.4	-162.1	-174.3	-48.5	122.8	18.3	111.9	E696 D697 A698 T703 Q704	E696-R700 VanDerWaalsContact O-CB 3.27Å; E696-R700 WeakPolarHBondContact O-CB 3.38Å; E696-R700 PolarHBondContact O-N 2.68Å; D697-R700 WeakPolarHBondContact O-CB 3.25Å; D697-R700 PolarHBondContact O-N 3.11Å; D697-R700 IonicContact OD1-CZ 2.66Å; D697-R700 IonicContact OD1-NH1 3.97Å; D697-R700 PolarHBondContact OD1-NH1 3.16Å; D697-R700 IonicContact OD1-NH2 3.32Å; D697-R700 PolarHBondContact OD1-NH2 2.88Å; A698-R700 VanDerWaalsContact C-N 3.28Å; A698-R700 PolarHBondContact O-N 2.98Å; R700-T703 PolarHBondContact O-N 2.96Å; R700-T703 VanDerWaalsContact O-N 3.15Å; R700-Q704 HydrophobicContact CG-CG 4.27Å; R700-Q704 WeakPolarHBondContact O-CB 3.24Å; R700-Q704 WeakPolarHBondContact O-CG 3.43Å; R700-Q704 PolarHBondContact O-N 3.49Å
701	L	85.8	Confident	85.2	Confident	46 Å²	46	62.8 Å²	62.8	24%	0.241	34%	0.344	C	S	.	.	H	α-helix	trans	-60.9	-44.2	175.2	-70.6	169	0	0	0	111.6	V685 H688 L690 I693 D697 A698 T703 S705	V685-L701 HydrophobicContact CG1-CB 3.61Å; V685-L701 HydrophobicContact CG1-CD1 4.31Å; H688-L701 HydrophobicContact CB-CD1 4.22Å; H688-L701 HydrophobicContact CB-CD2 4.5Å; L690-L701 HydrophobicContact CD2-CD1 4.23Å; I693-L701 HydrophobicContact CD1-CD1 3.79Å; D697-L701 WeakPolarHBondContact O-CG 3.18Å; D697-L701 PolarHBondContact O-N 3.46Å; A698-L701 PolarHBondContact O-N 3.44Å; L701-T703 VanDerWaalsContact C-N 3.3Å; L701-T703 PolarHBondContact O-N 3.04Å; L701-S705 WeakPolarHBondContact O-CB 3.48Å; L701-S705 PolarHBondContact O-N 2.88Å; L701-S705 PolarHBondContact O-OG 2.68Å
702	M	86.3	Confident	85.3	Confident	12 Å²	12	62 Å²	62	6%	0.059	34%	0.34	C	S	.	.	H	α-helix	trans	-62.5	-36	174	-67.6	174.7	-152.2	0	0	112.2	K637 I642 I646 I659 L682 V685 L690 A698 A699 F711	K637-M702 VanDerWaalsContact CE-O 3.24Å; K637-M702 WeakPolarHBondContact CE-O 3.46Å; K637-M702 PolarHBondContact NZ-O 3.13Å; I642-M702 HydrophobicContact CD1-CB 4.13Å; I646-M702 HydrophobicContact CD1-CE 3.8Å; I646-M702 HydrophobicContact CD1-SD 4Å; I646-M702 HydrophobicContact CG2-SD 4.49Å; I659-M702 HydrophobicContact CG2-CE 4.21Å; L682-M702 HydrophobicContact CD1-CE 3.62Å; L682-M702 HydrophobicContact CD1-SD 4.34Å; V685-M702 HydrophobicContact CB-CG 4.39Å; V685-M702 HydrophobicContact CG1-CG 4.44Å; V685-M702 HydrophobicContact CG2-CG 4Å; L690-M702 HydrophobicContact CD1-CE 3.74Å; L690-M702 HydrophobicContact CD2-CE 4.3Å; A698-M702 HydrophobicContact CB-CE 4.19Å; A698-M702 VanDerWaalsContact O-CG 3.29Å; A698-M702 WeakPolarHBondContact O-CG 3.32Å; A698-M702 PolarHBondContact O-N 3.37Å; A699-M702 PolarHBondContact O-N 2.64Å; M702-F711 HydrophobicContact CE-CE1 3.94Å; M702-F711 HydrophobicContact CG-CE1 3.72Å; M702-F711 HydrophobicContact CG-CZ 3.91Å; M702-F711 HydrophobicContact SD-CE1 3.81Å; M702-F711 HydrophobicContact SD-CZ 4.04Å
703	T	82.1	Confident	85.8	Confident	107 Å²	107	59.8 Å²	59.8	66%	0.656	32%	0.317	S	S	*	.	H	α-helix	trans	-76.1	-42.3	179.7	-58.1	0	0	0	0	112.4	K637 A699 R700 L701	K637-T703 PolarHBondContact NZ-O 3.46Å; A699-T703 VanDerWaalsContact O-CB 3.27Å; A699-T703 WeakPolarHBondContact O-CB 3.23Å; A699-T703 PolarHBondContact O-N 3.45Å; A699-T703 PolarHBondContact O-OG1 3.41Å; R700-T703 PolarHBondContact O-N 2.96Å; R700-T703 VanDerWaalsContact O-N 3.15Å; L701-T703 VanDerWaalsContact C-N 3.3Å; L701-T703 PolarHBondContact O-N 3.04Å
704	Q	78	Confident	86.2	Confident	143 Å²	143	60.5 Å²	60.5	67%	0.668	32%	0.317	S	S	*	.	H	α-helix	trans	-75.5	-20.1	179.2	-71.9	178.1	-25.1	0	0	113.9	R700	R700-Q704 HydrophobicContact CG-CG 4.27Å; R700-Q704 WeakPolarHBondContact O-CB 3.24Å; R700-Q704 WeakPolarHBondContact O-CG 3.43Å; R700-Q704 PolarHBondContact O-N 3.49Å
705	S	76.9	Confident	86.3	Confident	20 Å²	20	61.3 Å²	61.3	14%	0.14	32%	0.315	C	S	.	.	S	Bend	trans	-52.4	154	167	-69.1	0	0	0	0	111.6	K637 N686 L701	K637-S705 PolarHBondContact NZ-O 2.8Å; N686-S705 WeakPolarHBondContact ND2-CB 3.42Å; N686-S705 PolarHBondContact ND2-OG 2.8Å; L701-S705 WeakPolarHBondContact O-CB 3.48Å; L701-S705 PolarHBondContact O-N 2.88Å; L701-S705 PolarHBondContact O-OG 2.68Å
706	G	75.7	Confident	86	Confident	48 Å²	48	65.1 Å²	65.1	50%	0.495	33%	0.326	S	S	.	.			trans	-67.6	-163	-178.1	0	0	0	0	0	114.8	K637 E708	K637-G706 WeakPolarHBondContact CD-O 3.28Å; K637-G706 WeakPolarHBondContact CE-O 3.48Å; K637-G706 PolarHBondContact NZ-O 2.81Å; G706-E708 PolarHBondContact O-N 3.36Å
707	N	80.1	Confident	85.7	Confident	128 Å²	128	58.1 Å²	58.1	68%	0.684	29%	0.294	S	S	*	.	S	Bend	trans	-63.4	-6.7	173.1	-72.3	-8.1	0	0	0	113.5	R636 K637	R636-N707 CarbonylContact C-O 3.59Å; R636-N707 VanDerWaalsContact CA-O 3.23Å; R636-N707 WeakPolarHBondContact CA-O 3.3Å; K637-N707 PolarHBondContact N-O 2.8Å
708	E	83.9	Confident	85.6	Confident	90 Å²	90	55.3 Å²	55.3	42%	0.421	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	137.5	178.3	-171.3	157.8	-127.6	0	0	109.4	T634 L635 R636 G706	T634-E708 HydrophobicContact CG2-CG 3.35Å; T634-E708 WeakPolarHBondContact CG2-OE1 3.44Å; L635-E708 CarbonylContact O-C 3.59Å; L635-E708 WeakPolarHBondContact O-CA 3.4Å; R636-E708 HydrophobicContact CG-CB 4.34Å; R636-E708 HydrophobicContact CG-CG 4.11Å; G706-E708 PolarHBondContact O-N 3.36Å
709	V	89.2	Confident	85.2	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	117.9	-169.6	-169	0	0	0	0	109.4	T634 L635 K637 I642 V685 F711	T634-V709 CarbonylContact C-O 3.52Å; T634-V709 WeakPolarHBondContact CA-O 3.44Å; L635-V709 PolarHBondContact N-O 3.14Å; L635-V709 PolarHBondContact O-N 2.8Å; K637-V709 HydrophobicContact CD-CG2 4.42Å; K637-V709 VanDerWaalsContact CE-CG2 3.48Å; K637-V709 HydrophobicContact CG-CG2 4.3Å; I642-V709 HydrophobicContact CD1-CB 4.16Å; I642-V709 HydrophobicContact CD1-CG1 4.08Å; I642-V709 HydrophobicContact CD1-CG2 3.85Å; I642-V709 HydrophobicContact CG1-CG2 4.41Å; V685-V709 HydrophobicContact CG2-CG1 3.38Å; V709-F711 HydrophobicContact CB-CE2 4.17Å; V709-F711 HydrophobicContact CG1-CD2 4.33Å; V709-F711 HydrophobicContact CG1-CE1 4.23Å; V709-F711 HydrophobicContact CG1-CE2 3.64Å; V709-F711 HydrophobicContact CG1-CZ 3.59Å
710	H	89.9	Confident	84.5	Confident	88 Å²	88	68 Å²	68	41%	0.407	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	129.8	-179.8	-55.8	75	0	0	0	109.3	T634 V685 N686	T634-H710 PolarHBondContact OG1-CD2 3.35Å; V685-H710 CarbonylContact C-O 3.59Å; V685-H710 WeakPolarHBondContact CA-O 3.41Å; N686-H710 PolarHBondContact N-O 2.95Å; N686-H710 WeakPolarHBondContact OD1-CB 3.3Å; N686-H710 PolarHBondContact OD1-N 2.82Å; N686-H710 PolarHBondContact OD1-ND1 3.46Å
711	F	93.9	Very high	84.2	Confident	2 Å²	2	63.6 Å²	63.6	1%	0.009	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	134.5	174.4	-64.9	-80	0	0	0	110.9	K632 V633 L635 I642 L644 L682 S684 V685 M702 V709 V713	K632-F711 WeakPolarHBondContact CA-O 3.48Å; V633-F711 PolarHBondContact N-O 3.06Å; V633-F711 PolarHBondContact O-N 3.11Å; L635-F711 HydrophobicContact CD1-CE2 4.25Å; I642-F711 HydrophobicContact CD1-CE2 4.32Å; I642-F711 HydrophobicContact CD1-CZ 3.99Å; L644-F711 HydrophobicContact CD1-CE2 4.36Å; L644-F711 HydrophobicContact CD1-CZ 4.3Å; L682-F711 HydrophobicContact CD1-CD1 4.21Å; L682-F711 HydrophobicContact CD1-CE1 4.09Å; L682-F711 HydrophobicContact CD2-CB 4.49Å; L682-F711 HydrophobicContact CD2-CD1 4.22Å; L682-F711 HydrophobicContact CD2-CG 4.44Å; S684-F711 WeakPolarHBondContact O-CA 3.34Å; V685-F711 HydrophobicContact CB-CD1 4.03Å; V685-F711 HydrophobicContact CB-CE1 3.91Å; V685-F711 HydrophobicContact CG2-CD1 4.02Å; V685-F711 HydrophobicContact CG2-CE1 3.61Å; V685-F711 HydrophobicContact CG2-CZ 4.14Å; M702-F711 HydrophobicContact CE-CE1 3.94Å; M702-F711 HydrophobicContact CG-CE1 3.72Å; M702-F711 HydrophobicContact CG-CZ 3.91Å; M702-F711 HydrophobicContact SD-CE1 3.81Å; M702-F711 HydrophobicContact SD-CZ 4.04Å; V709-F711 HydrophobicContact CB-CE2 4.17Å; V709-F711 HydrophobicContact CG1-CD2 4.33Å; V709-F711 HydrophobicContact CG1-CE1 4.23Å; V709-F711 HydrophobicContact CG1-CE2 3.64Å; V709-F711 HydrophobicContact CG1-CZ 3.59Å; F711-V713 HydrophobicContact CB-CG2 3.55Å
712	D	92.8	Very high	83.7	Confident	38 Å²	38	63.9 Å²	63.9	20%	0.203	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	118.1	159.8	-74	-56.7	0	0	0	108	I630 K632 L683 S684	I630-D712 HydrophobicContact CG2-CB 3.59Å; K632-D712 WeakPolarHBondContact CE-OD1 3.22Å; K632-D712 WeakPolarHBondContact CG-OD1 3.49Å; K632-D712 IonicContact NZ-OD1 2.61Å; L683-D712 WeakPolarHBondContact CA-O 3.47Å; L683-D712 HydrophobicContact CB-CB 4.21Å; L683-D712 WeakPolarHBondContact CB-O 3.29Å; L683-D712 PolarHBondContact N-O 2.77Å; S684-D712 WeakPolarHBondContact CB-OD2 3.34Å; S684-D712 PolarHBondContact N-O 3.48Å; S684-D712 PolarHBondContact O-N 3.05Å; S684-D712 PolarHBondContact OG-OD2 3.37Å
713	V	93	Very high	83.3	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	123	-168.4	-173.6	0	0	0	0	112.2	I630 S631 V633 L676 D680 Q681 L682 F711	I630-V713 CarbonylContact C-O 3.53Å; I630-V713 WeakPolarHBondContact CA-O 3.46Å; S631-V713 PolarHBondContact N-O 3.33Å; S631-V713 WeakPolarHBondContact O-CB 3.42Å; S631-V713 PolarHBondContact O-N 3.28Å; V633-V713 HydrophobicContact CG2-CG2 4.26Å; L676-V713 HydrophobicContact CD2-CB 4.47Å; L676-V713 HydrophobicContact CD2-CG1 4.1Å; L676-V713 HydrophobicContact CD2-CG2 3.84Å; D680-V713 HydrophobicContact CB-CG1 3.79Å; Q681-V713 CarbonylContact O-C 3.5Å; Q681-V713 WeakPolarHBondContact O-CA 3.3Å; L682-V713 HydrophobicContact CD2-CG1 4.19Å; L682-V713 HydrophobicContact CD2-CG2 3.74Å; F711-V713 HydrophobicContact CB-CG2 3.55Å
714	R	91.9	Very high	83	Confident	61 Å²	61	61 Å²	61	23%	0.23	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	111.2	167.8	-177.9	179.4	-75.7	125	-3.9	109.2	D628 Q681 L683 A717	D628-R714 IonicContact OD1-NE 2.8Å; D628-R714 PolarHBondContact OD1-NE 3.27Å; D628-R714 IonicContact OD2-CZ 3.47Å; D628-R714 VanDerWaalsContact OD2-CZ 3.25Å; D628-R714 IonicContact OD2-NE 3.14Å; D628-R714 PolarHBondContact OD2-NE 3.27Å; D628-R714 IonicContact OD2-NH2 3.76Å; D628-R714 PolarHBondContact OD2-NH2 3.09Å; Q681-R714 HydrophobicContact CB-CB 4.38Å; Q681-R714 PolarHBondContact N-O 3.04Å; Q681-R714 PolarHBondContact O-N 3.08Å; L683-R714 HydrophobicContact CD1-CB 4.14Å; L683-R714 HydrophobicContact CD2-CB 4.08Å; L683-R714 HydrophobicContact CG-CB 4.21Å; R714-A717 HydrophobicContact CB-CB 4.29Å; R714-A717 HydrophobicContact CG-CB 4.01Å
715	K	90.1	Very high	82.7	Confident	58 Å²	58	61 Å²	61	25%	0.252	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	136.2	-178.9	-80.8	-58	-158.9	168.6	0	113	R675 E677 D680 A717	R675-K715 VanDerWaalsContact O-CE 3.24Å; R675-K715 WeakPolarHBondContact O-CE 3.47Å; R675-K715 PolarHBondContact O-NZ 3Å; E677-K715 IonicContact OE2-NZ 3.55Å; D680-K715 VanDerWaalsContact CG-CD 3.5Å; D680-K715 VanDerWaalsContact OD1-CA 3.31Å; D680-K715 WeakPolarHBondContact OD1-CA 3.23Å; D680-K715 WeakPolarHBondContact OD1-CD 3.18Å; D680-K715 IonicContact OD1-NZ 2.68Å; D680-K715 WeakPolarHBondContact OD2-CD 3.36Å; D680-K715 WeakPolarHBondContact OD2-CE 3.41Å; D680-K715 IonicContact OD2-NZ 3.18Å; D680-K715 PolarHBondContact OD2-NZ 3.12Å; K715-A717 PolarHBondContact O-N 3.41Å
716	R	82.9	Confident	82.3	Confident	165 Å²	165	66.8 Å²	66.8	62%	0.623	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	24.5	175.1	-57.7	179.5	-179	165.9	0.1	115.1	E677 G679 D680 A718 H719	E677-R716 IonicContact OE2-NE 3.25Å; E677-R716 IonicContact OE2-NH2 2.74Å; G679-R716 CarbonylContact O-C 3.48Å; D680-R716 PolarHBondContact OD1-N 2.92Å; R716-A718 PolarHBondContact O-N 3.21Å; R716-H719 PolarHBondContact O-N 3Å
717	A	83.1	Confident	82.1	Confident	0 Å²	0	65 Å²	65	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-55.3	-36.8	-176.2	0	0	0	0	0	113.2	Y660 G679 Q681 R714 K715 H719 R720 N721	Y660-A717 HydrophobicContact CE1-CB 3.97Å; G679-A717 PolarHBondContact O-N 3.27Å; Q681-A717 HydrophobicContact CB-CB 3.34Å; Q681-A717 HydrophobicContact CG-CB 4.44Å; R714-A717 HydrophobicContact CB-CB 4.29Å; R714-A717 HydrophobicContact CG-CB 4.01Å; K715-A717 PolarHBondContact O-N 3.41Å; A717-H719 PolarHBondContact O-N 3.26Å; A717-R720 PolarHBondContact O-N 3.11Å; A717-N721 WeakPolarHBondContact O-CB 3.45Å; A717-N721 PolarHBondContact O-N 2.81Å; A717-N721 PolarHBondContact O-OD1 2.73Å
718	A	82.9	Confident	81	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-57.5	-35.3	177.3	0	0	0	0	0	113.6	Y660 G679 R716 N721 G722 L723 S724 L727	Y660-A718 HydrophobicContact CD1-CB 4.16Å; Y660-A718 HydrophobicContact CE1-CB 4.46Å; G679-A718 VanDerWaalsContact O-CB 3.27Å; G679-A718 WeakPolarHBondContact O-CB 3.34Å; G679-A718 PolarHBondContact O-N 2.99Å; R716-A718 PolarHBondContact O-N 3.21Å; A718-N721 PolarHBondContact O-N 2.94Å; A718-G722 PolarHBondContact O-N 3.5Å; A718-L723 HydrophobicContact CB-CB 4.07Å; A718-L723 PolarHBondContact O-N 2.85Å; A718-S724 PolarHBondContact O-N 3.07Å; A718-S724 VanDerWaalsContact O-N 3.12Å; A718-L727 HydrophobicContact CB-CD1 3.4Å; A718-L727 VanDerWaalsContact CB-CD1 3.4Å
719	H	78.6	Confident	78.4	Confident	146 Å²	146	61.7 Å²	61.7	68%	0.676	32%	0.315	S	S	*	.	H	α-helix	trans	-72.5	-31	177.1	-169.1	-47.8	0	0	0	111.9	R716 A717	R716-H719 PolarHBondContact O-N 3Å; A717-H719 PolarHBondContact O-N 3.26Å
720	R	72.3	Confident	75.8	Confident	158 Å²	158	70.2 Å²	70.2	60%	0.596	36%	0.355	S	S	*	.	H	α-helix	trans	-74.2	-32.3	175.1	-68.9	170	61.7	-175.6	-3.4	112	D628 A717	D628-R720 IonicContact OD1-CZ 2.74Å; D628-R720 IonicContact OD1-NH1 3Å; D628-R720 PolarHBondContact OD1-NH1 2.91Å; D628-R720 IonicContact OD1-NH2 2.7Å; D628-R720 PolarHBondContact OD1-NH2 3.09Å; D628-R720 VanDerWaalsContact OD1-NH2 3.16Å; A717-R720 PolarHBondContact O-N 3.11Å
721	N	77.9	Confident	72.8	Confident	25 Å²	25	71.5 Å²	71.5	13%	0.134	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	10.4	-170.2	-67.5	36	0	0	0	113.2	G651 V652 D654 Y660 A717 A718 L723	G651-N721 VanDerWaalsContact CA-O 3.25Å; G651-N721 WeakPolarHBondContact CA-O 3.41Å; V652-N721 PolarHBondContact N-O 2.71Å; D654-N721 VanDerWaalsContact CG-ND2 3.31Å; D654-N721 PolarHBondContact OD1-ND2 3.4Å; D654-N721 PolarHBondContact OD2-ND2 3.2Å; Y660-N721 PolarHBondContact OH-ND2 3.34Å; A717-N721 WeakPolarHBondContact O-CB 3.45Å; A717-N721 PolarHBondContact O-N 2.81Å; A717-N721 PolarHBondContact O-OD1 2.73Å; A718-N721 PolarHBondContact O-N 2.94Å; N721-L723 VanDerWaalsContact C-N 3.34Å; N721-L723 HydrophobicContact CB-CD1 4.48Å; N721-L723 PolarHBondContact O-N 2.93Å
722	G	75.9	Confident	70	Confident	52 Å²	52	77.5 Å²	77.5	54%	0.536	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.6	5.4	176.9	0	0	0	0	0	116	A718	A718-G722 PolarHBondContact O-N 3.5Å
723	L	78.5	Confident	66.7	Low	20 Å²	20	81.1 Å²	81.1	11%	0.105	43%	0.432	C	S	.	.			trans	-95.6	-6.5	-171.3	-64	170.8	0	0	0	114.5	A649 Y660 A718 N721 N725 W726 L727	A649-L723 HydrophobicContact CB-CD1 3.81Å; A649-L723 HydrophobicContact CB-CD2 4.18Å; Y660-L723 HydrophobicContact CD2-CD1 4.13Å; Y660-L723 HydrophobicContact CE1-CD1 4.07Å; Y660-L723 HydrophobicContact CE2-CD1 3.59Å; A718-L723 HydrophobicContact CB-CB 4.07Å; A718-L723 PolarHBondContact O-N 2.85Å; N721-L723 VanDerWaalsContact C-N 3.34Å; N721-L723 HydrophobicContact CB-CD1 4.48Å; N721-L723 PolarHBondContact O-N 2.93Å; L723-N725 PolarHBondContact O-N 3.11Å; L723-W726 PolarHBondContact O-N 3.04Å; L723-W726 VanDerWaalsContact O-N 3.11Å; L723-L727 HydrophobicContact CB-CD1 4.12Å; L723-L727 PolarHBondContact O-N 3.49Å; L723-L727 VanDerWaalsContact O-N 3.12Å
724	S	75.8	Confident	63.8	Low	40 Å²	40	88 Å²	88	28%	0.28	47%	0.474	S	S	.	.	H	α-helix	trans	-53	-47.8	-176.8	45.3	0	0	0	0	113.3	A718 W726 L727 G728	A718-S724 PolarHBondContact O-N 3.07Å; A718-S724 VanDerWaalsContact O-N 3.12Å; S724-W726 VanDerWaalsContact C-N 3.28Å; S724-W726 PolarHBondContact O-N 3.17Å; S724-L727 PolarHBondContact O-N 3.02Å; S724-G728 PolarHBondContact O-N 3.01Å
725	N	71.4	Confident	60.6	Low	143 Å²	143	90.4 Å²	90.4	77%	0.765	50%	0.5	S	S	*	.	H	α-helix	trans	-69.8	-25.3	-178	-64.1	-0.7	0	0	0	112.7	L723	L723-N725 PolarHBondContact O-N 3.11Å
726	W	68.4	Low	57.6	Low	141 Å²	141	94.3 Å²	94.3	53%	0.534	52%	0.524	S	S	.	.	H	α-helix	trans	-80.6	-27.9	177.3	-177.2	78.2	0	0	0	112.6	V647 A649 L723 S724	V647-W726 HydrophobicContact CB-CH2 4.26Å; V647-W726 HydrophobicContact CB-CZ3 4.31Å; V647-W726 HydrophobicContact CG2-CH2 4.11Å; V647-W726 HydrophobicContact CG2-CZ3 3.66Å; A649-W726 HydrophobicContact CB-CE3 4.49Å; A649-W726 HydrophobicContact CB-CH2 4.47Å; A649-W726 HydrophobicContact CB-CZ3 3.88Å; L723-W726 PolarHBondContact O-N 3.04Å; L723-W726 VanDerWaalsContact O-N 3.11Å; S724-W726 VanDerWaalsContact C-N 3.28Å; S724-W726 PolarHBondContact O-N 3.17Å
727	L	70.6	Confident	54.9	Low	9 Å²	9	95.3 Å²	95.3	5%	0.047	53%	0.533	C	S	.	.	H	α-helix	trans	-84.4	-20.7	177.2	-75.4	154.4	0	0	0	113.5	V647 K662 T678 A718 L723 S724	V647-L727 HydrophobicContact CG2-CD2 3.52Å; K662-L727 HydrophobicContact CB-CD2 3.85Å; K662-L727 HydrophobicContact CG-CD2 4.14Å; T678-L727 HydrophobicContact CG2-CB 4.35Å; A718-L727 HydrophobicContact CB-CD1 3.4Å; A718-L727 VanDerWaalsContact CB-CD1 3.4Å; L723-L727 HydrophobicContact CB-CD1 4.12Å; L723-L727 PolarHBondContact O-N 3.49Å; L723-L727 VanDerWaalsContact O-N 3.12Å; S724-L727 PolarHBondContact O-N 3.02Å
728	G	57.8	Low	52.1	Low	51 Å²	51	103.4 Å²	103.4	53%	0.526	57%	0.574	S	S	.	*			trans	-110.4	90.4	-172.3	0	0	0	0	0	115.8	S724	S724-G728 PolarHBondContact O-N 3.01Å
729	S	29.8	Very low	49.5	Very low	98 Å²	98	107.4 Å²	107.4	69%	0.685	61%	0.607	S	S	*	*			trans	-170.4	134.6	162.7	35.1	0	0	0	0	111.7
730	Q	34.7	Very low	47	Very low	180 Å²	180	106.5 Å²	106.5	84%	0.841	61%	0.614	S	S	*	*			cis	-145.2	157.8	-23.5	-64.6	-172.4	9.4	0	0	108.5
731	T	25.6	Very low	44.8	Very low	114 Å²	114	104.3 Å²	104.3	70%	0.699	62%	0.624	S	S	*	*			trans	-169	145.4	144.1	25.8	0	0	0	0	109.8
732	P	35.1	Very low	43.1	Very low	129 Å²	129	108.4 Å²	108.4	84%	0.838	65%	0.651	S	S	*	*			trans	-84	134.9	171.3	33.3	-32.2	0	0	0	111.7
733	T	24.4	Very low	40.8	Very low	114 Å²	114	110.9 Å²	110.9	70%	0.699	66%	0.66	S	S	*	*			trans	-133	124.3	172.7	46.6	0	0	0	0	110.6
734	T	31.5	Very low	38.3	Very low	144 Å²	144	115.8 Å²	115.8	88%	0.883	69%	0.692	S	S	*	*			trans	-86.1	125.6	-177.9	34	0	0	0	0	112.4
735	S	25.5	Very low	36	Very low	112 Å²	112	119.8 Å²	119.8	78%	0.783	71%	0.714	S	S	*	*			trans	-150	97.4	161.1	51.7	0	0	0	0	113.4
736	N	26.3	Very low	34.5	Very low	140 Å²	140	118.5 Å²	118.5	75%	0.749	71%	0.714	S	S	*	*			trans	24.9	124.3	144.5	-60.8	-13.2	0	0	0	121.9
737	F	26.3	Very low	33.3	Very low	186 Å²	186	117.2 Å²	117.2	82%	0.816	72%	0.723	S	S	*	*				40.7	110	129.7	-69.3	-86.2	0	0	0	120.3
738	I	25.1	Very low	32	Very low	169 Å²	169	122.1 Å²	122.1	87%	0.867	76%	0.755	S	S	*	*				-126	131.5	129	-62.8	-178.5	0	0	0	107.6
739	A	27.6	Very low	30.6	Very low	84 Å²	84	124.3 Å²	124.3	69%	0.694	76%	0.763	S	S	*	*			trans	-114.1	141.7	172.9	0	0	0	0	0	110.2
740	P	26.8	Very low	30.6	Very low	127 Å²	127	129.4 Å²	129.4	83%	0.825	77%	0.768	S	S	*	*			trans	-113	138.1	149.3	2.9	18.1	0	0	0	110.8
741	S	25.6	Very low	30.3	Very low	113 Å²	113	126.6 Å²	126.6	79%	0.79	77%	0.769	S	S	*	*			trans	-116	-165.2	171	58.8	0	0	0	0	109.6
742	P	43.3	Very low	30.5	Very low	110 Å²	110	128.8 Å²	128.8	71%	0.714	77%	0.771	S	S	*	*				-127.7	-167.7	-97.8	39.8	-22.7	0	0	0	114.9
743	S	26.1	Very low	30.2	Very low	104 Å²	104	129.5 Å²	129.5	73%	0.727	77%	0.772	S	S	*	*			trans	87.4	146.3	176	-32.4	0	0	0	0	114
744	T	26.4	Very low	30.4	Very low	124 Å²	124	127.1 Å²	127.1	76%	0.761	77%	0.771	S	S	*	*			cis	-155.3	121.9	35.2	-62.9	0	0	0	0	108.2
745	V	29	Very low	30.2	Very low	124 Å²	124	132.1 Å²	132.1	75%	0.752	77%	0.774	S	S	*	*				70.8	132.2	78.4	159.3	0	0	0	0	114.1
746	P	39	Very low	30.5	Very low	116 Å²	116	133 Å²	133	75%	0.753	77%	0.774	S	S	*	*			cis	-141	-132	-20.1	48.2	-26.3	0	0	0	113.5
747	P	43.7	Very low	31.6	Very low	113 Å²	113	131.7 Å²	131.7	73%	0.734	77%	0.774	S	S	*	*			trans	-120.9	-155.5	-154.7	43.6	-18.6	0	0	0	113.9
748	P	43.1	Very low	31.8	Very low	112 Å²	112	126.8 Å²	126.8	73%	0.727	76%	0.762	S	S	*	*				-156.5	173.2	65	41.3	-17.8	0	0	0	120.6
749	S	28	Very low	32.1	Very low	97 Å²	97	128.9 Å²	128.9	68%	0.678	76%	0.761	S	S	*	*			trans	71.7	111	139.6	58.1	0	0	0	0	126.6
750	Y	29.4	Very low	32.2	Very low	205 Å²	205	132 Å²	132	80%	0.804	77%	0.766	S	S	*	*				50.7	132.7	120.7	-74.2	-80.1	0	0	0	125.8	H752	Y750-H752 AromaticContact CE1-NE2 3.81Å
751	S	28.3	Very low	32.3	Very low	122 Å²	122	129.3 Å²	129.3	85%	0.853	76%	0.761	S	S	*	*				-160.2	167.5	122.6	50.6	0	0	0	0	111.9
752	H	30.1	Very low	32.4	Very low	159 Å²	159	132.8 Å²	132.8	74%	0.736	77%	0.765	S	S	*	*			trans	-129.5	165.3	-164.3	-87.3	-75.2	0	0	0	114.9	Y750	Y750-H752 AromaticContact CE1-NE2 3.81Å
753	V	28.7	Very low	32.7	Very low	144 Å²	144	132.9 Å²	132.9	87%	0.873	77%	0.765	S	S	*	*			trans	150.1	138.3	145.5	160.2	0	0	0	0	107.6
754	G	28	Very low	34.4	Very low	65 Å²	65	133 Å²	133	67%	0.67	76%	0.764	S	S	*	*			cis	112.7	130.1	21.5	0	0	0	0	0	108.9
755	R	27.8	Very low	35.4	Very low	249 Å²	249	133 Å²	133	94%	0.94	77%	0.766	S	S	*	*			cis	-150.5	177.6	17.3	-66.8	175.9	165.7	-173.2	-4	111.9
756	T	31.1	Very low	35.5	Very low	129 Å²	129	131.9 Å²	131.9	79%	0.791	76%	0.763	S	S	*	*			trans	-104.1	-165.5	163.3	59.5	0	0	0	0	110
757	P	50.3	Low	35.3	Very low	114 Å²	114	136.5 Å²	136.5	74%	0.74	77%	0.767	S	S	*	*			cis	-126.8	-135	-7.4	33.5	-7.3	0	0	0	110.8
758	S	29.7	Very low	34.6	Very low	82 Å²	82	137.2 Å²	137.2	57%	0.573	77%	0.765	S	S	*	*			cis	-174.2	160.7	-0.5	38.9	0	0	0	0	111.8
759	Y	31.8	Very low	34	Very low	213 Å²	213	139.3 Å²	139.3	84%	0.835	77%	0.765	S	S	*	*			trans	67.9	153.6	151.4	-79.4	-58.4	0	0	0	118.7
760	D	29.9	Very low	34.1	Very low	150 Å²	150	145.7 Å²	145.7	80%	0.802	77%	0.774	S	S	*	*			cis	-157.1	-177.9	-8.7	-153.6	-14.9	0	0	0	109.7
761	G	30.1	Very low	34.1	Very low	70 Å²	70	144.1 Å²	144.1	72%	0.722	78%	0.779	S	S	*	*			trans	116.8	116.7	144.4	0	0	0	0	0	119.9
762	Q	27.5	Very low	34.1	Very low	187 Å²	187	141.5 Å²	141.5	87%	0.874	77%	0.772	S	S	*	*			trans	-106.9	179.8	171.6	-111.7	-166.9	0.4	0	0	110.6
763	P	48.6	Very low	34	Very low	111 Å²	111	137.9 Å²	137.9	72%	0.721	78%	0.778	S	S	*	*			cis	-134.3	-124.4	-22.8	40.5	-18	0	0	0	112.4
764	P	61.1	Low	33.9	Very low	108 Å²	108	135.4 Å²	135.4	70%	0.701	77%	0.772	S	S	*	*			trans	-120	-165.5	-154.9	39.4	-13.9	0	0	0	114.3
765	P	49.2	Very low	34.1	Very low	123 Å²	123	138.3 Å²	138.3	80%	0.799	78%	0.782	S	S	*	*				-144.7	-136.4	86.5	39	-19.3	0	0	0	113.1
766	S	30.5	Very low	34.2	Very low	100 Å²	100	130.1 Å²	130.1	70%	0.699	78%	0.775	S	S	*	*			trans	-158.1	163.1	-177	-59.6	0	0	0	0	114.7
767	Y	34.4	Very low	34.3	Very low	213 Å²	213	129 Å²	129	84%	0.835	78%	0.779	S	S	*	*			trans	74.8	131.9	158.3	-72	-71.2	0	0	0	123.8
768	N	29.9	Very low	33.3	Very low	128 Å²	128	127.7 Å²	127.7	68%	0.684	79%	0.787	S	S	*	*			trans	96	135.6	136.2	-80.3	-4.9	0	0	0	125.3
769	H	29.1	Very low	33.4	Very low	157 Å²	157	127.1 Å²	127.1	73%	0.727	79%	0.794	S	S	*	*			trans	67.4	94.2	150	-66	-45.7	0	0	0	124.2
770	R	30.6	Very low	33.3	Very low	230 Å²	230	122.6 Å²	122.6	87%	0.868	79%	0.793	S	S	*	*				51.8	97.9	105.9	-165.5	-171.7	-161.9	-174.2	6.7	119.3
771	N	30.4	Very low	33.2	Very low	172 Å²	172	121.3 Å²	121.3	92%	0.92	80%	0.796	S	S	*	*			trans	-166.2	165.7	143.6	-99.6	-23.2	0	0	0	108.8
772	G	27.4	Very low	33.1	Very low	68 Å²	68	121.3 Å²	121.3	70%	0.701	80%	0.795	S	S	*	*			cis	157.5	102.5	-9	0	0	0	0	0	113.5
773	G	27.1	Very low	33.2	Very low	83 Å²	83	123.5 Å²	123.5	86%	0.856	80%	0.796	S	S	*	*			trans	71.7	178.6	169.9	0	0	0	0	0	116.8
774	A	28.2	Very low	32.2	Very low	91 Å²	91	125.1 Å²	125.1	75%	0.752	80%	0.798	S	S	*	*			cis	-169	144.6	-25	0	0	0	0	0	110.4
775	S	30.9	Very low	30.7	Very low	126 Å²	126	125.1 Å²	125.1	88%	0.881	80%	0.801	S	S	*	*			trans	48	135.5	157.8	52.8	0	0	0	0	120.9
776	G	29.9	Very low	29.7	Very low	77 Å²	77	122.8 Å²	122.8	79%	0.794	79%	0.792	S	S	*	*			cis	141.7	150.1	-1.5	0	0	0	0	0	112.4
777	A	33.9	Very low	29.5	Very low	106 Å²	106	127.5 Å²	127.5	88%	0.876	80%	0.8	S	S	*	*			trans	-159.6	125.2	170.5	0	0	0	0	0	113.4
778	G	30.1	Very low	29.1	Very low	87 Å²	87	123.4 Å²	123.4	90%	0.897	80%	0.797	S	S	*	*			trans	60.3	129.6	148	0	0	0	0	0	122.5
779	G	30	Very low	28.7	Very low	70 Å²	70	121.4 Å²	121.4	72%	0.722	80%	0.799	S	S	*	*			trans	126.1	77.2	134	0	0	0	0	0	121.1
780	S	29.7	Very low	29.8	Very low	118 Å²	118	119.2 Å²	119.2	83%	0.825	80%	0.798	S	S	*	*			trans	69.4	152.8	148.4	74	0	0	0	0	121.9
781	S	29.3	Very low	29.4	Very low	123 Å²	123	115.8 Å²	115.8	86%	0.86	80%	0.796	S	S	*	*			trans	34.6	120.4	153.3	-54.3	0	0	0	0	121.5
782	G	28.2	Very low	29.2	Very low	69 Å²	69	112.7 Å²	112.7	71%	0.711	79%	0.788	S	S	*	*			cis	159	107.6	-11	0	0	0	0	0	116.3
783	R	28.4	Very low	29.2	Very low	234 Å²	234	116.9 Å²	116.9	88%	0.883	79%	0.794	S	S	*	*			trans	65.2	140.7	149.6	-58.3	-172.2	176.2	170.4	-0.9	118.2
784	N	28.2	Very low	29.3	Very low	144 Å²	144	116.8 Å²	116.8	77%	0.77	78%	0.78	S	S	*	*			cis	-155.6	165.7	-0.1	-114.2	5.5	0	0	0	112.5
785	S	29.4	Very low	29.4	Very low	109 Å²	109	116.5 Å²	116.5	76%	0.762	77%	0.773	S	S	*	*			trans	-94.1	-174.9	169.6	65.9	0	0	0	0	110.4
786	A	28.8	Very low	29.4	Very low	74 Å²	74	112.9 Å²	112.9	61%	0.612	75%	0.748	S	S	*	*			cis	-172.2	176.5	-10.8	0	0	0	0	0	109.9
787	F	25.4	Very low	29.3	Very low	199 Å²	199	115.6 Å²	115.6	87%	0.873	74%	0.744	S	S	*	*			trans	71.3	139.3	148.3	-90.3	-62.6	0	0	0	122.6
788	V	26.3	Very low	29.1	Very low	127 Å²	127	114.1 Å²	114.1	77%	0.77	73%	0.732	S	S	*	*			trans	75.2	106.9	151	179.7	0	0	0	0	121.6
789	A	22.4	Very low	29.1	Very low	86 Å²	86	115 Å²	115	71%	0.711	72%	0.724	S	S	*	*			trans	66.3	-166.8	139.3	0	0	0	0	0	119.9
790	P	50.2	Low	29.1	Very low	111 Å²	111	116.7 Å²	116.7	72%	0.721	73%	0.725	S	S	*	*				-131.5	-173.1	-100.9	39.2	-20.1	0	0	0	117.4
791	L	23.3	Very low	29.1	Very low	158 Å²	158	116 Å²	116	83%	0.827	72%	0.72	S	S	*	*			trans	101.2	151.2	157.2	-62.3	161.6	0	0	0	121.8
792	S	25.7	Very low	29.3	Very low	107 Å²	107	118.8 Å²	118.8	75%	0.748	72%	0.719	S	S	*	*			trans	69.8	132.8	159.7	18.4	0	0	0	0	119.2
793	N	27.8	Very low	29.4	Very low	155 Å²	155	121.7 Å²	121.7	83%	0.829	72%	0.716	S	S	*	*				69.6	135.4	57.3	-83.2	7	0	0	0	114
794	S	29.5	Very low	29.4	Very low	81 Å²	81	117.9 Å²	117.9	57%	0.566	71%	0.708	S	S	*	*			cis	-166.5	150.6	0.7	-89.1	0	0	0	0	114.2
795	S	29.7	Very low	29.7	Very low	85 Å²	85	118.3 Å²	118.3	59%	0.594	71%	0.705	S	S	*	*			trans	68.9	158.3	148.3	92	0	0	0	0	120.1
796	S	31.5	Very low	29.8	Very low	50 Å²	50	120.3 Å²	120.3	35%	0.35	70%	0.702	S	S	.	*			cis	-166.6	157.7	-2.8	32.3	0	0	0	0	113.4	R1112	S796-R1112 WeakPolarHBondContact O-CD 3.49Å; S796-R1112 WeakPolarHBondContact O-CG 3.3Å; S796-R1112 PolarHBondContact O-NE 3.45Å; S796-R1112 WeakPolarHBondContact OG-CD 3.42Å
797	N	27.7	Very low	29.7	Very low	134 Å²	134	126.9 Å²	126.9	72%	0.717	71%	0.713	S	S	*	*			trans	38.9	147.4	142.9	-56.8	-1.1	0	0	0	125.1	R1112	N797-R1112 PolarHBondContact O-NE 2.89Å; N797-R1112 PolarHBondContact O-NH2 2.88Å
798	A	30	Very low	30	Very low	75 Å²	75	121.2 Å²	121.2	62%	0.62	70%	0.703	S	S	*	*			trans	56	145.9	132.5	0	0	0	0	0	122.4	R1112	A798-R1112 PolarHBondContact O-NH2 3.38Å
799	S	29.3	Very low	30.2	Very low	106 Å²	106	122.6 Å²	122.6	74%	0.741	70%	0.701	S	S	*	*			cis	-169	160.8	-4.9	-100.2	0	0	0	0	114.4
800	S	29.5	Very low	30.8	Very low	106 Å²	106	125.2 Å²	125.2	74%	0.741	70%	0.698	S	S	*	*			trans	66.4	143.4	145	65.4	0	0	0	0	125.4
801	S	30.2	Very low	29.9	Very low	103 Å²	103	125.7 Å²	125.7	72%	0.72	70%	0.695	S	S	*	*			trans	71.6	95.3	137.5	61.9	0	0	0	0	123.4
802	H	33.7	Very low	30.5	Very low	181 Å²	181	124.3 Å²	124.3	84%	0.838	69%	0.686	S	S	*	*				61.9	156.7	108.7	-149.2	55.8	0	0	0	122.9
803	M	29.6	Very low	30.8	Very low	131 Å²	131	126.1 Å²	126.1	65%	0.645	68%	0.684	S	S	*	*			trans	84.4	87	170	-61.1	-68.9	-80.1	0	0	121.4
804	Q	29.1	Very low	31.3	Very low	154 Å²	154	125.8 Å²	125.8	72%	0.72	68%	0.677	S	S	*	*				64.8	118	106.5	-167.9	164.9	57.1	0	0	122.4
805	Q	34	Very low	31.5	Very low	152 Å²	152	128.2 Å²	128.2	71%	0.71	68%	0.684	S	S	*	*				150.9	130.3	127.4	-77.9	-146.9	6.1	0	0	117.3
806	H	32.2	Very low	31.4	Very low	151 Å²	151	127.6 Å²	127.6	70%	0.699	69%	0.691	S	S	*	*			trans	48.5	150.7	144.2	-65.5	-71	0	0	0	122.6
807	Y	26.8	Very low	31.4	Very low	212 Å²	212	132.2 Å²	132.2	83%	0.831	71%	0.712	S	S	*	*				-163.9	155.8	56.6	-103.7	-89.8	0	0	0	115.9
808	A	31.1	Very low	31.5	Very low	81 Å²	81	132.4 Å²	132.4	67%	0.669	71%	0.712	S	S	*	*			trans	66.6	153.3	143.2	0	0	0	0	0	121.4
809	H	30.8	Very low	31.5	Very low	155 Å²	155	133.8 Å²	133.8	72%	0.718	72%	0.717	S	S	*	*			cis	-162	140	-8.9	-129.8	-131.5	0	0	0	113.1
810	H	35.6	Very low	31.5	Very low	141 Å²	141	133.8 Å²	133.8	65%	0.653	72%	0.723	S	S	*	*			trans	57.5	157	152.5	-77	-117.1	0	0	0	119.4
811	N	31.6	Very low	31.7	Very low	121 Å²	121	133.1 Å²	133.1	65%	0.647	72%	0.724	S	S	*	*			cis	-157.3	175.3	13.8	-130.4	14.2	0	0	0	106.6
812	M	35.6	Very low	32.8	Very low	130 Å²	130	134.6 Å²	134.6	64%	0.64	73%	0.731	S	S	*	*			cis	-176.7	158.5	-22.5	-126.2	-176.6	176.8	0	0	104.7
813	M	32.1	Very low	32.5	Very low	144 Å²	144	129.7 Å²	129.7	71%	0.709	73%	0.73	S	S	*	*			cis	-139.1	-139	3.5	-49.6	179.9	160.6	0	0	107
814	H	36.9	Very low	32.6	Very low	148 Å²	148	128 Å²	128	69%	0.685	74%	0.737	S	S	*	*			cis	-162.5	155.4	-48.2	-108.6	-16.9	0	0	0	106.6
815	N	33.7	Very low	33.2	Very low	133 Å²	133	127 Å²	127	71%	0.711	74%	0.744	S	S	*	*			cis	-164	104.4	-21.6	-155.4	79.3	0	0	0	114.7
816	G	28.8	Very low	33	Very low	72 Å²	72	125 Å²	125	74%	0.742	75%	0.753	S	S	*	*			trans	88.6	174.4	149	0	0	0	0	0	119.6
817	N	31.1	Very low	32.8	Very low	147 Å²	147	121.5 Å²	121.5	79%	0.786	76%	0.758	S	S	*	*			cis	-161.8	171.7	-4.7	-156.8	7.3	0	0	0	113.4
818	L	29.6	Very low	33	Very low	138 Å²	138	118.7 Å²	118.7	72%	0.723	76%	0.757	S	S	*	*			trans	89.4	102.3	157.4	-60.5	166.5	0	0	0	122
819	S	30.2	Very low	33.5	Very low	104 Å²	104	119.8 Å²	119.8	73%	0.727	76%	0.758	S	S	*	*				62.1	118.2	115	-55.1	0	0	0	0	125.2
820	A	29.7	Very low	33.3	Very low	105 Å²	105	120.5 Å²	120.5	87%	0.868	76%	0.759	S	S	*	*				70.6	150.4	124.6	0	0	0	0	0	123.3
821	A	32.8	Very low	32.9	Very low	93 Å²	93	121.2 Å²	121.2	77%	0.769	76%	0.762	S	S	*	*			trans	-110	-175.1	169.9	0	0	0	0	0	109.6
822	P	53.2	Low	32.6	Very low	133 Å²	133	125.1 Å²	125.1	86%	0.864	77%	0.769	S	S	*	*			cis	-133.1	-173.5	-1.9	43.4	-26.8	0	0	0	114.6
823	G	27.9	Very low	32.1	Very low	79 Å²	79	129.1 Å²	129.1	81%	0.814	78%	0.777	S	S	*	*			trans	144.5	148.6	159.2	0	0	0	0	0	116.6
824	A	31.3	Very low	31.9	Very low	95 Å²	95	126.9 Å²	126.9	79%	0.785	78%	0.776	S	S	*	*			trans	-112	161.5	171.7	0	0	0	0	0	110.7
825	P	43.1	Very low	31.6	Very low	133 Å²	133	124.5 Å²	124.5	86%	0.864	78%	0.775	S	S	*	*				-149.5	-170.8	98.2	39.8	-21.7	0	0	0	115.3
826	A	29.8	Very low	31.3	Very low	109 Å²	109	123.9 Å²	123.9	90%	0.901	78%	0.782	S	S	*	*			trans	-81.9	165.3	-169.2	0	0	0	0	0	116.8
827	G	27.7	Very low	31.3	Very low	79 Å²	79	124.6 Å²	124.6	81%	0.814	78%	0.78	S	S	*	*			trans	171.2	91.6	166.9	0	0	0	0	0	116.1
828	D	30.5	Very low	31.4	Very low	152 Å²	152	122.2 Å²	122.2	81%	0.813	78%	0.776	S	S	*	*			trans	-76.5	146.5	169.3	-140	-40.2	0	0	0	110.4	K830	D828-K830 PolarHBondContact OD1-N 3.42Å
829	P	40.6	Very low	31.4	Very low	105 Å²	105	122.9 Å²	122.9	68%	0.682	78%	0.78	S	S	*	*				-157.9	141.2	89.7	37.7	-16.2	0	0	0	119.4
830	K	27.2	Very low	31.3	Very low	170 Å²	170	124.7 Å²	124.7	74%	0.739	78%	0.78	S	S	*	*			trans	73.5	117.2	130.8	-68	176.8	179.2	176	0	124.1	D828	D828-K830 PolarHBondContact OD1-N 3.42Å
831	H	27.2	Very low	31.3	Very low	155 Å²	155	128 Å²	128	72%	0.718	78%	0.778	S	S	*	*				78.7	101.2	125.2	-70.1	-52.4	0	0	0	125.2
832	Y	26.4	Very low	31.1	Very low	204 Å²	204	132 Å²	132	80%	0.8	78%	0.781	S	S	*	*				89.7	147.4	108	-116	-108.8	0	0	0	124.7
833	R	24.6	Very low	29.7	Very low	214 Å²	214	133.2 Å²	133.2	81%	0.808	78%	0.779	S	S	*	*			trans	73.1	126	175.6	-58.5	-162.5	172.3	-178.5	-2.5	116.4
834	S	28.1	Very low	29.7	Very low	97 Å²	97	134.1 Å²	134.1	68%	0.678	77%	0.771	S	S	*	*			cis	85.3	147	36.2	87.7	0	0	0	0	113.6
835	S	29.6	Very low	29.4	Very low	97 Å²	97	137.7 Å²	137.7	68%	0.678	78%	0.777	S	S	*	*			cis	-163.6	170.8	31.7	-30.2	0	0	0	0	114
836	S	27.3	Very low	28.6	Very low	121 Å²	121	136 Å²	136	85%	0.846	77%	0.774	S	S	*	*			trans	74.5	153.9	150.6	-57.2	0	0	0	0	119.5
837	A	30.2	Very low	28.3	Very low	86 Å²	86	136.1 Å²	136.1	71%	0.711	77%	0.769	S	S	*	*			cis	-168.6	-165.2	-21.1	0	0	0	0	0	106.7
838	S	33.3	Very low	28.2	Very low	98 Å²	98	141 Å²	141	69%	0.685	77%	0.767	S	S	*	*			cis	-168.7	153.5	1.9	12.5	0	0	0	0	107.6
839	D	29.2	Very low	27.9	Very low	152 Å²	152	139.5 Å²	139.5	81%	0.813	77%	0.769	S	S	*	*			cis	-130.1	-107.2	-12.8	-72	-50.9	0	0	0	111.2
840	L	26.8	Very low	27.3	Very low	141 Å²	141	142.6 Å²	142.6	74%	0.738	78%	0.775	S	S	*	*			cis	-145.6	-159.7	4.1	-129.8	-175.6	0	0	0	111.5
841	Q	30	Very low	27.1	Very low	174 Å²	174	139.6 Å²	139.6	81%	0.813	78%	0.775	S	S	*	*			trans	-72.3	128.8	-174.1	-67.1	151.4	4.5	0	0	112.6
842	H	28.6	Very low	26.9	Very low	179 Å²	179	137.9 Å²	137.9	83%	0.829	78%	0.781	S	S	*	*			cis	83.3	103.5	31.8	-138.8	84.2	0	0	0	114.3
843	D	23.6	Very low	27	Very low	157 Å²	157	136.3 Å²	136.3	84%	0.84	78%	0.782	S	S	*	*			trans	-134.4	120.6	172.1	-168.2	8.5	0	0	0	109.1
844	P	27.8	Very low	27.1	Very low	99 Å²	99	133.1 Å²	133.1	64%	0.643	79%	0.787	S	S	*	*			trans	-104.9	91.3	-161.6	37.4	-33.2	0	0	0	114.6
845	N	25.5	Very low	26.9	Very low	170 Å²	170	132.1 Å²	132.1	91%	0.909	79%	0.792	S	S	*	*			trans	-157	82.2	162.4	-116.9	-31.1	0	0	0	114.5
846	A	26.5	Very low	26.7	Very low	97 Å²	97	132.9 Å²	132.9	80%	0.802	80%	0.797	S	S	*	*			trans	-144.8	77.7	173.4	0	0	0	0	0	111.5
847	S	23.2	Very low	26.7	Very low	112 Å²	112	132 Å²	132	78%	0.783	80%	0.797	S	S	*	*			trans	-154.2	113.4	167.2	-81.9	0	0	0	0	113
848	F	26.1	Very low	26.5	Very low	180 Å²	180	137 Å²	137	79%	0.789	80%	0.798	S	S	*	*			trans	33.3	112.6	156.6	-79.9	-95.4	0	0	0	120.1
849	S	23.2	Very low	26.3	Very low	122 Å²	122	135.9 Å²	135.9	85%	0.853	79%	0.79	S	S	*	*			trans	-143.1	90.2	146.5	-76.5	0	0	0	0	109.7	S851	S849-S851 PolarHBondContact O-N 2.84Å
850	Q	28.4	Very low	26.3	Very low	170 Å²	170	131.7 Å²	131.7	79%	0.794	77%	0.773	S	S	*	*			trans	-69.4	120.8	160.9	-71.7	-177.7	-7.4	0	0	108.3
851	S	22.7	Very low	26.8	Very low	107 Å²	107	129.6 Å²	129.6	75%	0.748	77%	0.766	S	S	*	*			trans	-160.4	118.7	166.2	-82.1	0	0	0	0	112.1	S849	S849-S851 PolarHBondContact O-N 2.84Å
852	S	23.3	Very low	26.7	Very low	119 Å²	119	124 Å²	124	83%	0.832	74%	0.739	S	S	*	*			trans	51.5	90.9	148.5	-57.4	0	0	0	0	120.1
853	M	29.2	Very low	26.9	Very low	170 Å²	170	120.3 Å²	120.3	84%	0.837	73%	0.725	S	S	*	*			trans	-69.3	137.9	140.1	-92.6	-80	170.9	0	0	110.5
854	T	27.4	Very low	27.3	Very low	148 Å²	148	121.7 Å²	121.7	91%	0.908	72%	0.723	S	S	*	*			trans	163.6	145	138.4	33.8	0	0	0	0	110.3
855	G	23.1	Very low	27.6	Very low	76 Å²	76	119.6 Å²	119.6	78%	0.784	71%	0.707	S	S	*	*			trans	-169.8	-25.3	-175.1	0	0	0	0	0	118.2
856	S	26.2	Very low	28	Very low	112 Å²	112	113.3 Å²	113.3	78%	0.783	68%	0.675	S	S	*	*			trans	58.1	116.1	166.5	-163.1	0	0	0	0	120.1
857	A	25.8	Very low	28.5	Very low	103 Å²	103	110.5 Å²	110.5	85%	0.851	65%	0.65	S	S	*	*			trans	-157.8	31	158.7	0	0	0	0	0	114.9
858	R	27	Very low	29.3	Very low	191 Å²	191	107.4 Å²	107.4	72%	0.721	62%	0.623	S	S	*	*			trans	-137.2	63.8	177.2	-94.3	-170.6	163.9	-162.1	-3.8	111.7
859	S	29.4	Very low	29.8	Very low	75 Å²	75	99.4 Å²	99.4	52%	0.524	59%	0.587	S	S	.	*			trans	-131	12.1	-170	-160.4	0	0	0	0	116.2
860	S	29.5	Very low	30.6	Very low	63 Å²	63	100.1 Å²	100.1	44%	0.441	57%	0.571	S	S	.	*	S	Bend	trans	-108.4	6.1	-179.5	54.4	0	0	0	0	114.9	N1150	S860-N1150 PolarHBondContact OG-ND2 3.33Å
861	V	35.5	Very low	31.3	Very low	98 Å²	98	94.3 Å²	94.3	59%	0.594	54%	0.544	S	S	*	.	S	Bend	trans	-117.5	-35.6	176.7	-173.7	0	0	0	0	111.3	D863 K864	V861-D863 VanDerWaalsContact C-N 3.34Å; V861-D863 PolarHBondContact O-N 3.45Å; V861-K864 PolarHBondContact O-N 3.37Å
862	F	29.5	Very low	32	Very low	56 Å²	56	90.4 Å²	90.4	25%	0.246	52%	0.517	C	S	.	.	G	3₁₀ helix	trans	-62.3	-32.5	-178.4	-94.8	-86.8	0	0	0	114.5	M435 K864 L865 Y869	M435-F862 HydrophobicContact SD-CE2 3.79Å; M435-F862 HydrophobicContact SD-CZ 3.67Å; F862-K864 PolarHBondContact O-N 3.34Å; F862-K864 VanDerWaalsContact O-N 3.16Å; F862-L865 HydrophobicContact CD1-CD1 3.91Å; F862-L865 HydrophobicContact CE1-CD1 4.11Å; F862-L865 HydrophobicContact CG-CD1 4.39Å; F862-L865 WeakPolarHBondContact O-CB 3.37Å; F862-L865 PolarHBondContact O-N 2.93Å; F862-Y869 WeakPolarHBondContact CE1-O 3.32Å
863	D	31.1	Very low	32.6	Very low	102 Å²	102	89.9 Å²	89.9	55%	0.545	51%	0.509	S	S	.	.	G	3₁₀ helix	trans	-66.8	-15.9	179	-71.8	-48.5	0	0	0	113.9	V861 R870	V861-D863 VanDerWaalsContact C-N 3.34Å; V861-D863 PolarHBondContact O-N 3.45Å; D863-R870 PolarHBondContact O-NH2 3.02Å
864	K	33.5	Very low	32.7	Very low	185 Å²	185	92.1 Å²	92.1	80%	0.804	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	-89.2	-4.7	172.2	-68.8	-174.1	178.1	-179.9	0	113.7	V861 F862	V861-K864 PolarHBondContact O-N 3.37Å; F862-K864 PolarHBondContact O-N 3.34Å; F862-K864 VanDerWaalsContact O-N 3.16Å
865	L	32.4	Very low	32.9	Very low	55 Å²	55	86.7 Å²	86.7	29%	0.288	48%	0.475	S	S	.	.	S	Bend	trans	-87.9	143.2	173.8	-62	171.5	0	0	0	110.6	F862 Y869 R870	F862-L865 HydrophobicContact CD1-CD1 3.91Å; F862-L865 HydrophobicContact CE1-CD1 4.11Å; F862-L865 HydrophobicContact CG-CD1 4.39Å; F862-L865 WeakPolarHBondContact O-CB 3.37Å; F862-L865 PolarHBondContact O-N 2.93Å; L865-Y869 HydrophobicContact CB-CD2 3.87Å; L865-Y869 HydrophobicContact CB-CG 3.86Å; L865-Y869 HydrophobicContact CD1-CD1 4.02Å; L865-Y869 HydrophobicContact CD1-CD2 4.48Å; L865-Y869 HydrophobicContact CD1-CG 3.88Å; L865-Y869 HydrophobicContact CD2-CD2 4.34Å; L865-Y869 HydrophobicContact CG-CD2 4.46Å; L865-Y869 HydrophobicContact CG-CG 4.31Å; L865-R870 PolarHBondContact O-NE 2.92Å
866	P	35.8	Very low	33.2	Very low	39 Å²	39	89.2 Å²	89.2	25%	0.253	48%	0.476	S	S	.	.			trans	-58.8	160.6	173.8	-29.5	40.1	0	0	0	113.8	L526 H868 Y869	L526-P866 HydrophobicContact CD2-CB 4.1Å; L526-P866 HydrophobicContact CD2-CG 3.68Å; P866-H868 VanDerWaalsContact C-N 3.3Å; P866-H868 PolarHBondContact O-N 2.99Å; P866-Y869 PolarHBondContact O-N 2.81Å
867	S	36.6	Very low	33.3	Very low	38 Å²	38	88.5 Å²	88.5	27%	0.266	47%	0.466	S	S	.	.	H	α-helix	trans	-53.8	-37	-160.4	65.3	0	0	0	0	115.1	D512 Y869 R870 H871	D512-S867 WeakPolarHBondContact OD2-CB 3.38Å; D512-S867 PolarHBondContact OD2-OG 3.09Å; S867-Y869 VanDerWaalsContact C-N 3.25Å; S867-Y869 PolarHBondContact O-N 3.09Å; S867-R870 WeakPolarHBondContact O-CB 3.5Å; S867-R870 PolarHBondContact O-N 2.88Å; S867-H871 PolarHBondContact O-ND1 3.01Å
868	H	40.4	Very low	33.4	Very low	46 Å²	46	90.7 Å²	90.7	21%	0.213	46%	0.462	C	S	.	.	H	α-helix	trans	-57.2	-33	178.5	48.4	-100.3	0	0	0	114.1	H440 L526 P866	H440-H868 AromaticContact CE1-CD2 3.74Å; L526-H868 VanDerWaalsContact CD2-CE1 3.42Å; L526-H868 WeakPolarHBondContact CD2-CE1 3.5Å; L526-H868 WeakPolarHBondContact CD2-NE2 3.41Å; P866-H868 VanDerWaalsContact C-N 3.3Å; P866-H868 PolarHBondContact O-N 2.99Å
869	Y	36.4	Very low	33.2	Very low	13 Å²	13	89.3 Å²	89.3	5%	0.051	46%	0.464	C	S	.	.	H	α-helix	trans	-73.6	-25.1	174.1	-73.6	-80.7	0	0	0	113.5	C439 H440 L526 F862 L865 P866 S867 H871	C439-Y869 HydrophobicContact CB-CD1 3.67Å; C439-Y869 HydrophobicContact CB-CE1 3.99Å; C439-Y869 VanDerWaalsContact SG-CD1 3.54Å; H440-Y869 AromaticContact CE1-CZ 3.9Å; H440-Y869 AromaticContact NE2-CE1 3.64Å; H440-Y869 AromaticContact NE2-CZ 3.3Å; H440-Y869 VanDerWaalsContact NE2-CZ 3.3Å; H440-Y869 PolarHBondContact NE2-OH 3.44Å; L526-Y869 HydrophobicContact CD2-CE2 4.41Å; F862-Y869 WeakPolarHBondContact CE1-O 3.32Å; L865-Y869 HydrophobicContact CB-CD2 3.87Å; L865-Y869 HydrophobicContact CB-CG 3.86Å; L865-Y869 HydrophobicContact CD1-CD1 4.02Å; L865-Y869 HydrophobicContact CD1-CD2 4.48Å; L865-Y869 HydrophobicContact CD1-CG 3.88Å; L865-Y869 HydrophobicContact CD2-CD2 4.34Å; L865-Y869 HydrophobicContact CG-CD2 4.46Å; L865-Y869 HydrophobicContact CG-CG 4.31Å; P866-Y869 PolarHBondContact O-N 2.81Å; S867-Y869 VanDerWaalsContact C-N 3.25Å; S867-Y869 PolarHBondContact O-N 3.09Å; Y869-H871 PolarHBondContact O-N 2.97Å
870	R	40.3	Very low	33.2	Very low	136 Å²	136	91.8 Å²	91.8	51%	0.513	48%	0.478	S	S	.	.	H	α-helix	trans	-74.6	-14.1	-178	-59.5	-176.3	178.3	-173.6	-6.2	113.3	D863 L865 S867 S872	D863-R870 PolarHBondContact O-NH2 3.02Å; L865-R870 PolarHBondContact O-NE 2.92Å; S867-R870 WeakPolarHBondContact O-CB 3.5Å; S867-R870 PolarHBondContact O-N 2.88Å; R870-S872 VanDerWaalsContact C-N 3.34Å; R870-S872 PolarHBondContact O-N 3.4Å
871	H	42.4	Very low	33.1	Very low	48 Å²	48	95.3 Å²	95.3	22%	0.222	50%	0.497	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	3.4	-172.8	-75.2	91.3	0	0	0	115.1	D512 S867 Y869 T873	D512-H871 IonicContact OD2-CE1 3.43Å; S867-H871 PolarHBondContact O-ND1 3.01Å; Y869-H871 PolarHBondContact O-N 2.97Å; H871-T873 PolarHBondContact O-N 3.38Å
872	S	36.8	Very low	32.6	Very low	26 Å²	26	102 Å²	102	18%	0.182	51%	0.512	C	S	.	.			trans	-80.6	36.5	-177.5	-130.6	0	0	0	0	114.3	E438 R870	E438-S872 VanDerWaalsContact CD-OG 3.28Å; E438-S872 WeakPolarHBondContact OE1-CB 3.22Å; E438-S872 PolarHBondContact OE1-OG 2.95Å; R870-S872 VanDerWaalsContact C-N 3.34Å; R870-S872 PolarHBondContact O-N 3.4Å
873	T	35.8	Very low	32.5	Very low	107 Å²	107	105.1 Å²	105.1	66%	0.656	54%	0.538	S	S	*	.			trans	-110.2	117	176.7	56.1	0	0	0	0	110.7	H871	H871-T873 PolarHBondContact O-N 3.38Å
874	R	32.1	Very low	32.4	Very low	217 Å²	217	105.8 Å²	105.8	82%	0.819	55%	0.551	S	S	*	*	P	Polyproline II helix	trans	-48.6	142.5	178.1	-95	-172	172	-158.2	-1.3	112.9
875	P	30.8	Very low	32.1	Very low	34 Å²	34	101.8 Å²	101.8	22%	0.221	55%	0.552	C	S	.	*	P	Polyproline II helix	trans	-67.5	150.8	175.6	31.2	-37.7	0	0	0	111.9	Y466	Y466-P875 HydrophobicContact CD1-CG 4.03Å; Y466-P875 HydrophobicContact CG-CB 4.43Å; Y466-P875 HydrophobicContact CG-CG 3.95Å
876	T	30.1	Very low	31.9	Very low	130 Å²	130	108.1 Å²	108.1	80%	0.798	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-91.1	123.7	163.4	-60.8	0	0	0	0	108.5	I878	T876-I878 PolarHBondContact O-N 2.69Å
877	V	27.1	Very low	31.4	Very low	96 Å²	96	112.1 Å²	112.1	58%	0.582	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-68.9	118.2	-176.6	179.2	0	0	0	0	110.8
878	I	27.9	Very low	31.1	Very low	149 Å²	149	115.9 Å²	115.9	76%	0.764	63%	0.633	S	S	*	*			trans	-98.8	113.1	172	-58.9	176.5	0	0	0	108.4	T876	T876-I878 PolarHBondContact O-N 2.69Å
879	Q	24.5	Very low	30.4	Very low	162 Å²	162	119.8 Å²	119.8	76%	0.757	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-76.5	143.6	174	-69.5	-172.8	-6.3	0	0	111.6
880	P	28.5	Very low	29.9	Very low	128 Å²	128	123.4 Å²	123.4	83%	0.831	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-68.5	133.5	173.4	28.4	-34	0	0	0	111.5
881	T	27	Very low	29.2	Very low	137 Å²	137	124.9 Å²	124.9	84%	0.84	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-73.2	125.6	-176.7	49.9	0	0	0	0	112.8
882	R	26	Very low	28.5	Very low	238 Å²	238	133.5 Å²	133.5	90%	0.898	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-70.5	140	171.9	-166.2	177.9	-170.4	175.1	4.5	111
883	P	27.7	Very low	28.2	Very low	122 Å²	122	141.1 Å²	141.1	79%	0.792	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-62.7	149	177.6	24.7	-34.8	0	0	0	112.9
884	S	27.4	Very low	27.7	Very low	116 Å²	116	140.6 Å²	140.6	81%	0.811	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-84.6	124.2	-170	43.4	0	0	0	0	113.7
885	A	27.7	Very low	27.5	Very low	101 Å²	101	134.7 Å²	134.7	84%	0.835	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-85.2	132.9	165.3	0	0	0	0	0	110.1
886	Q	29.1	Very low	27.4	Very low	188 Å²	188	137.8 Å²	137.8	88%	0.879	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-86.4	138.8	-178.1	-64.8	176.6	-8.5	0	0	111.7
887	S	25.3	Very low	27.4	Very low	123 Å²	123	136.4 Å²	136.4	86%	0.86	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-86.2	124.1	174.3	-56.6	0	0	0	0	111.4
888	P	30.3	Very low	27.2	Very low	117 Å²	117	137.2 Å²	137.2	76%	0.76	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-96.2	136.5	176.3	35	-31.4	0	0	0	112.5
889	S	25.6	Very low	28.2	Very low	127 Å²	127	135.6 Å²	135.6	89%	0.888	82%	0.819	S	S	*	*			trans	178.8	116.1	148.7	-86.5	0	0	0	0	113.3
890	A	25.4	Very low	28.3	Very low	90 Å²	90	133.6 Å²	133.6	74%	0.744	82%	0.817	S	S	*	*			trans	178.4	149	137.8	0	0	0	0	0	111.8
891	L	26.1	Very low	28.3	Very low	167 Å²	167	131.9 Å²	131.9	87%	0.874	81%	0.808	S	S	*	*			trans	67	132.2	163.2	-65.2	157.9	0	0	0	115.8
892	R	28.3	Very low	28.2	Very low	228 Å²	228	131.8 Å²	131.8	86%	0.86	80%	0.802	S	S	*	*			cis	-140	178.1	13.3	-46.3	169.7	-168.3	-169.6	1.6	107.9
893	K	28.6	Very low	28.2	Very low	187 Å²	187	127.2 Å²	127.2	81%	0.813	80%	0.795	S	S	*	*			cis	-166.4	146.2	5.9	-150.7	-178.8	-178.2	-171.7	0	107.9
894	A	26.6	Very low	28.1	Very low	96 Å²	96	132 Å²	132	79%	0.793	80%	0.799	S	S	*	*			trans	48.5	153.5	149	0	0	0	0	0	121.8
895	A	27.9	Very low	28	Very low	93 Å²	93	137.3 Å²	137.3	77%	0.769	80%	0.801	S	S	*	*			cis	-170	165.6	-20.8	0	0	0	0	0	110
896	A	28.8	Very low	28.8	Very low	98 Å²	98	137 Å²	137	81%	0.81	79%	0.791	S	S	*	*			trans	72.7	136.4	156.6	0	0	0	0	0	121.8
897	A	28.9	Very low	28.7	Very low	101 Å²	101	133.8 Å²	133.8	84%	0.835	78%	0.784	S	S	*	*			trans	70	150.6	150.7	0	0	0	0	0	121.4
898	S	24.7	Very low	28.9	Very low	114 Å²	114	133.1 Å²	133.1	80%	0.797	78%	0.779	S	S	*	*			trans	-140.4	-175.2	175.2	-36.3	0	0	0	0	106.8
899	P	47.4	Very low	28.9	Very low	115 Å²	115	131.8 Å²	131.8	75%	0.747	78%	0.779	S	S	*	*			cis	-134.9	-158.2	-13	22.5	4.6	0	0	0	112.5
900	V	27.3	Very low	29	Very low	119 Å²	119	131 Å²	131	72%	0.721	77%	0.773	S	S	*	*			trans	89.4	86.8	151.7	-167.1	0	0	0	0	120.8
901	S	27.3	Very low	29.2	Very low	92 Å²	92	133.9 Å²	133.9	64%	0.643	78%	0.776	S	S	*	*				71.8	152.3	126.7	85.2	0	0	0	0	124.9
902	N	26	Very low	29.1	Very low	135 Å²	135	132.4 Å²	132.4	72%	0.722	77%	0.768	S	S	*	*			trans	92.1	102.5	145	-71.3	-9.8	0	0	0	122.9
903	L	26	Very low	29.1	Very low	143 Å²	143	130.7 Å²	130.7	75%	0.749	77%	0.767	S	S	*	*				79.8	132.3	123	-68.1	166.5	0	0	0	122.3
904	Y	26.4	Very low	29	Very low	222 Å²	222	125.8 Å²	125.8	87%	0.871	76%	0.761	S	S	*	*			trans	87.1	146.6	150.3	-99.2	-107.9	0	0	0	123.3
905	R	24.6	Very low	30.3	Very low	227 Å²	227	126.9 Å²	126.9	86%	0.857	76%	0.76	S	S	*	*			trans	-72.7	178.8	170.4	-110.2	-175.5	171.8	-179.1	-2	111.1
906	P	44.3	Very low	31.4	Very low	95 Å²	95	127.3 Å²	127.3	62%	0.617	76%	0.756	S	S	*	*			cis	-142.3	-174.5	-14.3	29.5	-5.3	0	0	0	115.7
907	T	27.4	Very low	31.5	Very low	121 Å²	121	133.2 Å²	133.2	74%	0.742	76%	0.757	S	S	*	*			trans	71	132.4	140.5	36.7	0	0	0	0	124.8
908	S	29.7	Very low	31.7	Very low	108 Å²	108	135.4 Å²	135.4	76%	0.755	75%	0.754	S	S	*	*			trans	89.8	103.8	130.1	-66.6	0	0	0	0	123.7
909	A	28.7	Very low	32.1	Very low	90 Å²	90	135 Å²	135	74%	0.744	75%	0.751	S	S	*	*				87	159.7	112.5	0	0	0	0	0	122.8
910	S	28.7	Very low	31.3	Very low	109 Å²	109	133.7 Å²	133.7	76%	0.762	76%	0.76	S	S	*	*			trans	87.7	93.8	154	-59.1	0	0	0	0	121.7
911	N	29.5	Very low	31.5	Very low	151 Å²	151	131.5 Å²	131.5	81%	0.807	76%	0.761	S	S	*	*				50.4	124.6	108.3	-92.3	-0.1	0	0	0	122
912	L	25	Very low	31.7	Very low	137 Å²	137	134.7 Å²	134.7	72%	0.717	77%	0.77	S	S	*	*				133.2	149.6	122.5	-82.1	154.4	0	0	0	119.4
913	F	26.3	Very low	32	Very low	191 Å²	191	134.4 Å²	134.4	84%	0.838	77%	0.772	S	S	*	*			trans	73.2	149.5	159.3	-71.5	-63.1	0	0	0	122.6
914	A	27	Very low	32.2	Very low	84 Å²	84	130.3 Å²	130.3	69%	0.694	77%	0.765	S	S	*	*			trans	-149	-170.4	-178.3	0	0	0	0	0	107.1
915	P	54.1	Low	32.4	Very low	119 Å²	119	130.2 Å²	130.2	77%	0.773	77%	0.765	S	S	*	*			cis	-118	-110.4	-6.9	24.6	2.7	0	0	0	109.7
916	P	50.3	Low	32.6	Very low	103 Å²	103	123.9 Å²	123.9	67%	0.669	76%	0.755	S	S	*	*			cis	-140.5	172.3	-21.5	42.7	-24.1	0	0	0	118.7
917	R	32.5	Very low	32	Very low	222 Å²	222	123.5 Å²	123.5	84%	0.838	75%	0.754	S	S	*	*			trans	86.3	116	141.9	-91.2	177.1	177.3	-171.5	-1.3	124.1
918	N	33.2	Very low	32.1	Very low	146 Å²	146	125.1 Å²	125.1	78%	0.781	76%	0.758	S	S	*	*			trans	76.2	145.3	133.7	-79.5	26.4	0	0	0	121.6
919	S	33.2	Very low	32.1	Very low	105 Å²	105	124.7 Å²	124.7	73%	0.734	76%	0.762	S	S	*	*			cis	-166	142.3	-4.1	40.2	0	0	0	0	115.7
920	G	29.4	Very low	32.2	Very low	89 Å²	89	124.5 Å²	124.5	92%	0.918	76%	0.76	S	S	*	*			trans	80.9	145	162.8	0	0	0	0	0	116.2
921	G	32	Very low	32.2	Very low	72 Å²	72	129.6 Å²	129.6	74%	0.742	76%	0.762	S	S	*	*			cis	155.7	153.4	1.3	0	0	0	0	0	109.2
922	L	30.8	Very low	32.3	Very low	159 Å²	159	128.8 Å²	128.8	83%	0.832	75%	0.754	S	S	*	*			cis	-138.3	154.6	4.7	-108.1	69.6	0	0	0	108.9
923	V	32.9	Very low	32.7	Very low	129 Å²	129	127.3 Å²	127.3	78%	0.782	76%	0.755	S	S	*	*				47.8	125.7	95.3	-166.6	0	0	0	0	115.7
924	G	29.5	Very low	32.9	Very low	57 Å²	57	123.5 Å²	123.5	59%	0.588	75%	0.748	S	S	*	*			cis	-165.5	156	0.4	0	0	0	0	0	111.6
925	Y	30.8	Very low	33.1	Very low	221 Å²	221	127 Å²	127	87%	0.867	75%	0.749	S	S	*	*				72.7	137.5	79.4	-71.4	-57.4	0	0	0	115.3
926	S	29.2	Very low	32.1	Very low	94 Å²	94	126.7 Å²	126.7	66%	0.657	74%	0.742	S	S	*	*			cis	-168.6	147.3	-12.6	-155.4	0	0	0	0	115.1
927	S	31.3	Very low	31.2	Very low	86 Å²	86	128 Å²	128	60%	0.601	74%	0.741	S	S	*	*			trans	38.7	128.8	136.9	66.5	0	0	0	0	126.4
928	N	29	Very low	31.2	Very low	155 Å²	155	125.5 Å²	125.5	83%	0.829	74%	0.739	S	S	*	*				65.1	111.1	123.3	-58.5	1.5	0	0	0	124.7
929	A	29.9	Very low	30.9	Very low	100 Å²	100	130 Å²	130	83%	0.826	75%	0.745	S	S	*	*				50.5	129.3	119	0	0	0	0	0	124.1
930	A	31.2	Very low	30.8	Very low	85 Å²	85	129.7 Å²	129.7	70%	0.702	75%	0.749	S	S	*	*				158.9	134.1	102.8	0	0	0	0	0	116.2
931	R	29.8	Very low	31	Very low	216 Å²	216	134.2 Å²	134.2	82%	0.815	75%	0.746	S	S	*	*			trans	60.4	158.8	150.4	-62.4	175	104.1	111.6	4.4	118.3
932	E	30.9	Very low	31.8	Very low	135 Å²	135	136 Å²	136	63%	0.631	74%	0.744	S	S	*	*			cis	-159.1	162.7	0	-134	154.1	-163.5	0	0	112.6
933	S	32.4	Very low	31.7	Very low	106 Å²	106	132.2 Å²	132.2	74%	0.741	74%	0.736	S	S	*	*			trans	67.2	153.5	157.3	71.4	0	0	0	0	119.5
934	T	30.7	Very low	31.6	Very low	111 Å²	111	133.5 Å²	133.5	68%	0.681	74%	0.737	S	S	*	*			cis	-163.5	152.8	-2.5	2.4	0	0	0	0	112.1
935	Q	32.9	Very low	31.5	Very low	156 Å²	156	136.5 Å²	136.5	73%	0.729	74%	0.744	S	S	*	*			trans	63.5	155.3	148.9	-68.2	178.2	-79.6	0	0	120.5
936	D	31.3	Very low	31.3	Very low	114 Å²	114	133.7 Å²	133.7	61%	0.61	74%	0.742	S	S	*	*			cis	-162.3	149.8	-11.4	-112.8	-20.3	0	0	0	115.3
937	I	32	Very low	31.4	Very low	129 Å²	129	140 Å²	140	66%	0.662	75%	0.752	S	S	*	*			trans	52.4	137.4	148.5	-37.2	153.7	0	0	0	123.7
938	H	32.1	Very low	32.1	Very low	171 Å²	171	141.2 Å²	141.2	79%	0.792	76%	0.757	S	S	*	*			trans	129.5	81.8	141.5	-82.3	-67.2	0	0	0	122.3
939	R	28.5	Very low	32.2	Very low	240 Å²	240	139.7 Å²	139.7	91%	0.906	75%	0.753	S	S	*	*				31.1	135.6	124.2	-146.4	179	-168.5	150.5	2.9	124.1
940	A	30.7	Very low	32.2	Very low	98 Å²	98	141.6 Å²	141.6	81%	0.81	75%	0.749	S	S	*	*			trans	105.5	151.5	145.3	0	0	0	0	0	121.7
941	E	32.5	Very low	32.1	Very low	185 Å²	185	144.7 Å²	144.7	86%	0.864	75%	0.754	S	S	*	*			trans	-101.8	-162.6	-176	-47.9	-170.8	140.1	0	0	112.2
942	P	49.4	Very low	32.1	Very low	109 Å²	109	141.8 Å²	141.8	71%	0.708	75%	0.754	S	S	*	*			cis	-145.3	-173.6	-2	42.9	-21.6	0	0	0	119
943	A	29.7	Very low	32	Very low	80 Å²	80	142.8 Å²	142.8	66%	0.661	76%	0.76	S	S	*	*			trans	89.7	125	135.8	0	0	0	0	0	125.6
944	I	28.9	Very low	32.6	Very low	155 Å²	155	143.4 Å²	143.4	80%	0.795	76%	0.762	S	S	*	*			trans	86.9	108.3	131	-67	169.9	0	0	0	123.7
945	V	28	Very low	32.6	Very low	121 Å²	121	147.2 Å²	147.2	73%	0.733	77%	0.769	S	S	*	*				39.5	135.6	128	-167.8	0	0	0	0	123.7
946	I	28.1	Very low	32.3	Very low	162 Å²	162	144.6 Å²	144.6	83%	0.831	77%	0.774	S	S	*	*				-176.7	167.4	128.8	-93.9	160	0	0	0	112.8
947	R	31	Very low	32.2	Very low	227 Å²	227	145.7 Å²	145.7	86%	0.857	79%	0.785	S	S	*	*			trans	-144.8	-161.4	-173.9	-58.6	-176.3	172.4	-175	-1.9	110
948	P	45.5	Very low	33.3	Very low	111 Å²	111	145 Å²	145	72%	0.721	79%	0.789	S	S	*	*			cis	-138.4	-151.4	-7.6	28.7	-0.4	0	0	0	114.8
949	V	30.5	Very low	33.7	Very low	122 Å²	122	143.1 Å²	143.1	74%	0.739	79%	0.792	S	S	*	*			trans	83.3	144.9	158	-174	0	0	0	0	118.3
950	D	29.8	Very low	33.6	Very low	140 Å²	140	136.4 Å²	136.4	75%	0.749	79%	0.788	S	S	*	*			cis	-171.7	179	-40.2	-98.3	-49.6	0	0	0	111.2
951	L	30.6	Very low	33.5	Very low	151 Å²	151	137.3 Å²	137.3	79%	0.791	79%	0.789	S	S	*	*			trans	101.9	127.1	150.3	-73.2	165.8	0	0	0	124.1
952	N	28.7	Very low	33.2	Very low	154 Å²	154	136 Å²	136	82%	0.824	79%	0.786	S	S	*	*			trans	91.2	150.7	141.2	-76.8	-19.4	0	0	0	124.5
953	M	29.7	Very low	32.1	Very low	156 Å²	156	142.3 Å²	142.3	77%	0.768	80%	0.796	S	S	*	*			trans	-150.9	158.6	-170.5	-171.2	-131.8	-172.9	0	0	109.4
954	P	43.3	Very low	32	Very low	119 Å²	119	142.2 Å²	142.2	77%	0.773	80%	0.802	S	S	*	*				-152.8	157.7	118.6	36.1	-17.6	0	0	0	119
955	K	31.2	Very low	31.7	Very low	191 Å²	191	139.6 Å²	139.6	83%	0.83	80%	0.804	S	S	*	*			trans	-10.9	143.3	160	-56.4	171.1	177.5	176.7	0	122.2
956	A	26.9	Very low	31.6	Very low	101 Å²	101	140 Å²	140	84%	0.835	81%	0.806	S	S	*	*				177.2	159.5	120.8	0	0	0	0	0	114.6
957	T	28.5	Very low	32.1	Very low	137 Å²	137	137.7 Å²	137.7	84%	0.84	80%	0.802	S	S	*	*			trans	-159.8	172.1	175.2	46.7	0	0	0	0	110.4
958	P	56	Low	32.1	Very low	116 Å²	116	132.8 Å²	132.8	75%	0.753	80%	0.797	S	S	*	*			cis	-118.4	-167.5	-31.2	39.6	-23	0	0	0	111.6
959	P	39.4	Very low	31.3	Very low	131 Å²	131	131.6 Å²	131.6	85%	0.851	80%	0.796	S	S	*	*				-149.7	-156	94	40.2	-20.2	0	0	0	114
960	A	27.9	Very low	31	Very low	99 Å²	99	133.6 Å²	133.6	82%	0.818	80%	0.801	S	S	*	*			trans	-147.3	170.2	-164.3	0	0	0	0	0	117.5
961	S	27.7	Very low	31.1	Very low	117 Å²	117	133 Å²	133	82%	0.818	80%	0.803	S	S	*	*			trans	94.3	165.5	156.3	-153.4	0	0	0	0	120.5
962	I	26.7	Very low	30.9	Very low	158 Å²	158	134.7 Å²	134.7	81%	0.81	81%	0.807	S	S	*	*			trans	86.3	137	174.6	-57.4	174	0	0	0	117.1
963	R	26.8	Very low	30.8	Very low	241 Å²	241	131.9 Å²	131.9	91%	0.909	81%	0.805	S	S	*	*			cis	-174.7	135.6	-27.9	-161.8	-180	-158.6	-177.4	6.1	112.5
964	G	25.9	Very low	30.6	Very low	78 Å²	78	132.8 Å²	132.8	80%	0.804	81%	0.812	S	S	*	*			trans	83.7	163.1	157	0	0	0	0	0	118.6
965	A	24.4	Very low	30	Very low	100 Å²	100	135.7 Å²	135.7	83%	0.826	82%	0.815	S	S	*	*			cis	-160.6	156.4	-7.4	0	0	0	0	0	114.8
966	V	26	Very low	29.8	Very low	129 Å²	129	135 Å²	135	78%	0.782	82%	0.82	S	S	*	*			trans	-31.7	175.2	166.6	-90.5	0	0	0	0	120.3
967	P	38.5	Very low	29.8	Very low	114 Å²	114	139 Å²	139	74%	0.74	82%	0.821	S	S	*	*			cis	-129.8	-178.9	16	45.9	-29.1	0	0	0	115.7
968	T	31.3	Very low	30.9	Very low	124 Å²	124	137.6 Å²	137.6	76%	0.761	81%	0.814	S	S	*	*			cis	69.8	141.6	32.7	0.5	0	0	0	0	115
969	A	28	Very low	29.5	Very low	85 Å²	85	140.3 Å²	140.3	70%	0.702	82%	0.823	S	S	*	*			cis	-136.9	-173	-0.3	0	0	0	0	0	110
970	I	24.6	Very low	29	Very low	164 Å²	164	137.9 Å²	137.9	84%	0.841	82%	0.822	S	S	*	*				-159.8	145.1	70.9	-79.8	166.6	0	0	0	110.5
971	T	30.3	Very low	28.9	Very low	128 Å²	128	137.1 Å²	137.1	79%	0.785	82%	0.823	S	S	*	*			trans	-147	164.6	171.7	-43.6	0	0	0	0	110
972	Q	27.2	Very low	28.9	Very low	187 Å²	187	135.1 Å²	135.1	87%	0.874	82%	0.821	S	S	*	*			trans	90	117.1	160.7	-54.7	-175.1	-6.1	0	0	120.5
973	A	27	Very low	29.1	Very low	95 Å²	95	132.4 Å²	132.4	79%	0.785	82%	0.822	S	S	*	*			trans	178	137	138.6	0	0	0	0	0	106.8
974	L	26.1	Very low	29.2	Very low	174 Å²	174	127.2 Å²	127.2	91%	0.911	82%	0.817	S	S	*	*			cis	-150.2	162.7	3.6	-113.9	163.6	0	0	0	109.2
975	Q	30.4	Very low	29.3	Very low	181 Å²	181	130.8 Å²	130.8	85%	0.846	82%	0.817	S	S	*	*			trans	-96.8	145.3	173	-69.6	166.5	-71.9	0	0	111.8
976	L	26.3	Very low	29.4	Very low	177 Å²	177	137 Å²	137	93%	0.927	82%	0.819	S	S	*	*			trans	-144.5	147.9	152.8	-79.1	-177.8	0	0	0	110.2
977	Q	26.8	Very low	29.7	Very low	183 Å²	183	138.2 Å²	138.2	86%	0.855	82%	0.816	S	S	*	*			trans	-98.7	-158.6	167.3	-60.8	-175.5	-12.1	0	0	109.7
978	P	52.2	Low	29.2	Very low	108 Å²	108	139.3 Å²	139.3	70%	0.701	82%	0.821	S	S	*	*				-117.6	154.2	-100.8	36.1	-20.5	0	0	0	113.2
979	N	25.3	Very low	29.2	Very low	173 Å²	173	143.6 Å²	143.6	93%	0.925	82%	0.823	S	S	*	*			trans	-166.8	157.4	149.1	-105.1	-41.7	0	0	0	111.2
980	G	29	Very low	29.3	Very low	81 Å²	81	145.5 Å²	145.5	84%	0.835	83%	0.828	S	S	*	*			trans	-85.1	162.8	177.7	0	0	0	0	0	113.6
981	G	26.5	Very low	29.6	Very low	82 Å²	82	142.2 Å²	142.2	85%	0.845	83%	0.826	S	S	*	*			trans	147.4	132.6	179.5	0	0	0	0	0	110.3
982	G	27.4	Very low	30.1	Very low	76 Å²	76	142.5 Å²	142.5	78%	0.784	83%	0.832	S	S	*	*			trans	-89.6	165.4	-167.9	0	0	0	0	0	116.3
983	A	31.5	Very low	30.6	Very low	100 Å²	100	136.9 Å²	136.9	83%	0.826	83%	0.825	S	S	*	*			trans	76.3	164.5	153.3	0	0	0	0	0	120.5
984	V	29	Very low	30.9	Very low	132 Å²	132	140.7 Å²	140.7	80%	0.8	83%	0.831	S	S	*	*			trans	76.2	91.4	171.9	-165.3	0	0	0	0	116.8	R986	V984-R986 PolarHBondContact O-N 2.97Å
985	L	28.1	Very low	31.5	Very low	154 Å²	154	142.2 Å²	142.2	81%	0.806	83%	0.825	S	S	*	*			trans	-63.2	121.1	157.2	-81.7	164	0	0	0	110.4
986	R	26.9	Very low	32.1	Very low	230 Å²	230	142.6 Å²	142.6	87%	0.868	83%	0.827	S	S	*	*			trans	-104.1	114.1	175.2	-149.1	175.8	-167	179.9	4.4	110	V984 V988	V984-R986 PolarHBondContact O-N 2.97Å; R986-V988 PolarHBondContact O-N 2.94Å
987	Q	31	Very low	32.9	Very low	155 Å²	155	145.9 Å²	145.9	72%	0.724	83%	0.827	S	S	*	*			trans	-58	127.7	-177.2	-72.1	-174.8	-16.9	0	0	112.6
988	V	27.6	Very low	33.8	Very low	137 Å²	137	142.2 Å²	142.2	83%	0.83	81%	0.813	S	S	*	*			trans	-97.5	114.1	161.3	178.8	0	0	0	0	107.9	R986	R986-V988 PolarHBondContact O-N 2.94Å
989	R	31.4	Very low	34.1	Very low	213 Å²	213	143.8 Å²	143.8	80%	0.804	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-83.9	129.4	169.9	-75.3	-178.5	173.6	177	-4.2	109.7
990	P	31	Very low	35.4	Very low	125 Å²	125	140.4 Å²	140.4	81%	0.812	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-61.2	147.8	166.4	-21.7	33.8	0	0	0	111.4
991	A	30.7	Very low	36.6	Very low	96 Å²	96	138.5 Å²	138.5	79%	0.793	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-71.6	151.9	-179.8	0	0	0	0	0	112.6	G993	A991-G993 PolarHBondContact O-N 3.36Å; A991-G993 VanDerWaalsContact O-N 3.11Å
992	S	39.8	Very low	37.8	Very low	133 Å²	133	137.8 Å²	137.8	93%	0.93	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.7	103.8	173.9	50.4	0	0	0	0	111.2
993	G	38.5	Very low	39.1	Very low	70 Å²	70	135.7 Å²	135.7	72%	0.722	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-172.6	-22.1	177.2	0	0	0	0	0	116.3	A991	A991-G993 PolarHBondContact O-N 3.36Å; A991-G993 VanDerWaalsContact O-N 3.11Å
994	L	34	Very low	40.3	Very low	174 Å²	174	137 Å²	137	91%	0.911	70%	0.701	S	S	*	*			trans	-116.5	61	-178.4	-75.1	168.8	0	0	0	112.5
995	R	37.2	Very low	41.9	Very low	207 Å²	207	135 Å²	135	78%	0.781	69%	0.686	S	S	*	*			trans	-132.1	35.9	177.2	-151.9	-170	177.9	177.2	1.2	114.3
996	E	43.5	Very low	43.3	Very low	189 Å²	189	132.4 Å²	132.4	88%	0.883	67%	0.672	S	S	*	*	S	Bend	trans	-128.8	1.8	-176.9	-146.8	172.6	-139.2	0	0	114.3
997	R	44.4	Very low	44.9	Very low	245 Å²	245	126.6 Å²	126.6	93%	0.925	66%	0.655	S	S	*	*	S	Bend	trans	-142.2	33.4	178.7	-67	-165.8	180	-165.4	1.1	114.8
998	L	44.7	Very low	46.5	Very low	107 Å²	107	125.2 Å²	125.2	56%	0.56	65%	0.647	S	S	*	*	S	Bend	trans	-130.1	137.2	165	-71.7	174.3	0	0	0	107.6	D1002 V1003	L998-D1002 HydrophobicContact CB-CB 4.26Å; L998-D1002 HydrophobicContact CD2-CB 4.07Å; L998-V1003 HydrophobicContact CB-CG2 4.18Å
999	Q	59.2	Low	48.4	Very low	141 Å²	141	122.5 Å²	122.5	66%	0.659	63%	0.631	S	S	*	*			trans	-75.6	156.6	176.5	-52.9	-174.2	18.9	0	0	109.3	A1001 D1002 V1003	Q999-A1001 HydrophobicContact CB-CB 4.49Å; Q999-A1001 PolarHBondContact O-N 2.99Å; Q999-D1002 WeakPolarHBondContact CB-OD2 3.41Å; Q999-D1002 PolarHBondContact N-OD2 2.97Å; Q999-D1002 WeakPolarHBondContact O-CB 3.16Å; Q999-D1002 PolarHBondContact O-N 2.87Å; Q999-V1003 PolarHBondContact O-N 3.29Å
1000	D	52.4	Low	49.9	Very low	102 Å²	102	116.8 Å²	116.8	55%	0.545	62%	0.616	S	S	.	*	H	α-helix	trans	-59.4	-23	174.5	-73	-38	0	0	0	112.1	R1004	D1000-R1004 VanDerWaalsContact C-NH2 3.31Å; D1000-R1004 WeakPolarHBondContact O-CB 3.32Å; D1000-R1004 VanDerWaalsContact O-CG 3.29Å; D1000-R1004 WeakPolarHBondContact O-CG 3.4Å; D1000-R1004 PolarHBondContact O-N 3.48Å; D1000-R1004 VanDerWaalsContact O-N 3.08Å; D1000-R1004 PolarHBondContact O-NE 3.32Å; D1000-R1004 PolarHBondContact O-NH2 3.35Å
1001	A	53.8	Low	51.8	Low	41 Å²	41	111.7 Å²	111.7	34%	0.339	58%	0.583	S	S	.	*	H	α-helix	trans	-62.1	-48.2	169	0	0	0	0	0	111.8	Q999 R1004 N1005	Q999-A1001 HydrophobicContact CB-CB 4.49Å; Q999-A1001 PolarHBondContact O-N 2.99Å; A1001-R1004 PolarHBondContact O-N 3.02Å; A1001-N1005 WeakPolarHBondContact O-CB 3.47Å; A1001-N1005 PolarHBondContact O-N 3.26Å; A1001-N1005 PolarHBondContact O-ND2 2.98Å
1002	D	52.2	Low	53.5	Low	67 Å²	67	110.2 Å²	110.2	36%	0.358	57%	0.57	S	S	.	*	H	α-helix	trans	-66	-41.9	-179.5	-48.9	-42.5	0	0	0	111.3	L998 Q999 N1005 L1006	L998-D1002 HydrophobicContact CB-CB 4.26Å; L998-D1002 HydrophobicContact CD2-CB 4.07Å; Q999-D1002 WeakPolarHBondContact CB-OD2 3.41Å; Q999-D1002 PolarHBondContact N-OD2 2.97Å; Q999-D1002 WeakPolarHBondContact O-CB 3.16Å; Q999-D1002 PolarHBondContact O-N 2.87Å; D1002-N1005 PolarHBondContact O-N 3.1Å; D1002-L1006 WeakPolarHBondContact O-CB 3.5Å; D1002-L1006 PolarHBondContact O-N 3.38Å
1003	V	55.3	Low	54.9	Low	31 Å²	31	110.3 Å²	110.3	19%	0.188	56%	0.56	C	S	.	*	H	α-helix	trans	-61.9	-48.2	176.1	179.8	0	0	0	0	110.7	L998 Q999 N1005 L1006 E1007	L998-V1003 HydrophobicContact CB-CG2 4.18Å; Q999-V1003 PolarHBondContact O-N 3.29Å; V1003-N1005 VanDerWaalsContact C-N 3.32Å; V1003-N1005 PolarHBondContact O-N 2.96Å; V1003-L1006 PolarHBondContact O-N 3.49Å; V1003-E1007 HydrophobicContact CG1-CG 4.48Å; V1003-E1007 WeakPolarHBondContact O-CB 3.14Å; V1003-E1007 WeakPolarHBondContact O-CG 3.44Å; V1003-E1007 PolarHBondContact O-N 3.06Å
1004	R	56.8	Low	56.6	Low	127 Å²	127	108.6 Å²	108.6	48%	0.479	53%	0.533	S	S	.	.	H	α-helix	trans	-68.3	-29.7	178.3	-72	173.2	-64.1	-156.4	-0.3	113.1	D1000 A1001 K1008	D1000-R1004 VanDerWaalsContact C-NH2 3.31Å; D1000-R1004 WeakPolarHBondContact O-CB 3.32Å; D1000-R1004 VanDerWaalsContact O-CG 3.29Å; D1000-R1004 WeakPolarHBondContact O-CG 3.4Å; D1000-R1004 PolarHBondContact O-N 3.48Å; D1000-R1004 VanDerWaalsContact O-N 3.08Å; D1000-R1004 PolarHBondContact O-NE 3.32Å; D1000-R1004 PolarHBondContact O-NH2 3.35Å; A1001-R1004 PolarHBondContact O-N 3.02Å; R1004-K1008 WeakPolarHBondContact O-CB 3.28Å; R1004-K1008 VanDerWaalsContact O-CG 3.3Å; R1004-K1008 WeakPolarHBondContact O-CG 3.48Å; R1004-K1008 PolarHBondContact O-N 3.02Å
1005	N	61.5	Low	58.8	Low	90 Å²	90	103.6 Å²	103.6	48%	0.481	51%	0.513	S	S	.	.	H	α-helix	trans	-68.7	-44.8	171.4	-73.1	-17.4	0	0	0	110.5	A1001 D1002 V1003 E1007 K1008 T1009	A1001-N1005 WeakPolarHBondContact O-CB 3.47Å; A1001-N1005 PolarHBondContact O-N 3.26Å; A1001-N1005 PolarHBondContact O-ND2 2.98Å; D1002-N1005 PolarHBondContact O-N 3.1Å; V1003-N1005 VanDerWaalsContact C-N 3.32Å; V1003-N1005 PolarHBondContact O-N 2.96Å; N1005-E1007 PolarHBondContact O-N 2.62Å; N1005-K1008 PolarHBondContact O-N 2.97Å; N1005-T1009 PolarHBondContact O-N 2.77Å; N1005-T1009 PolarHBondContact O-OG1 3.47Å
1006	L	58.5	Low	60.5	Low	101 Å²	101	97.2 Å²	97.2	53%	0.529	49%	0.489	S	S	.	.	H	α-helix	trans	-64.3	-38.3	176.5	-164	71.8	0	0	0	112.2	D1002 V1003 T1009 N1010	D1002-L1006 WeakPolarHBondContact O-CB 3.5Å; D1002-L1006 PolarHBondContact O-N 3.38Å; V1003-L1006 PolarHBondContact O-N 3.49Å; L1006-T1009 PolarHBondContact O-N 2.72Å; L1006-N1010 VanDerWaalsContact O-CB 3.32Å; L1006-N1010 WeakPolarHBondContact O-CB 3.38Å; L1006-N1010 VanDerWaalsContact O-CG 3.26Å; L1006-N1010 PolarHBondContact O-N 3.49Å; L1006-N1010 PolarHBondContact O-ND2 3.29Å
1007	E	60.4	Low	61.9	Low	108 Å²	108	95.2 Å²	95.2	51%	0.505	48%	0.48	S	S	.	.	H	α-helix	trans	-62.6	-42	172.3	-74.7	171.1	157.8	0	0	111.8	V1003 N1005 T1011	V1003-E1007 HydrophobicContact CG1-CG 4.48Å; V1003-E1007 WeakPolarHBondContact O-CB 3.14Å; V1003-E1007 WeakPolarHBondContact O-CG 3.44Å; V1003-E1007 PolarHBondContact O-N 3.06Å; N1005-E1007 PolarHBondContact O-N 2.62Å; E1007-T1011 WeakPolarHBondContact O-CB 3.43Å; E1007-T1011 PolarHBondContact O-N 2.78Å; E1007-T1011 PolarHBondContact O-OG1 3.43Å
1008	K	64.2	Low	63.6	Low	125 Å²	125	84.5 Å²	84.5	54%	0.543	44%	0.444	S	S	.	.	H	α-helix	trans	-64.2	-46.5	173.5	-76.7	174.7	178	-174.1	0	112.4	R1004 N1005 N1010 T1011 A1012	R1004-K1008 WeakPolarHBondContact O-CB 3.28Å; R1004-K1008 VanDerWaalsContact O-CG 3.3Å; R1004-K1008 WeakPolarHBondContact O-CG 3.48Å; R1004-K1008 PolarHBondContact O-N 3.02Å; N1005-K1008 PolarHBondContact O-N 2.97Å; K1008-N1010 PolarHBondContact O-N 3.32Å; K1008-T1011 PolarHBondContact O-N 3.41Å; K1008-A1012 WeakPolarHBondContact O-CB 3.4Å; K1008-A1012 PolarHBondContact O-N 3.45Å
1009	T	66.8	Low	65.3	Low	81 Å²	81	79.4 Å²	79.4	50%	0.497	42%	0.417	S	S	.	.	H	α-helix	trans	-61.4	-44.7	177.3	-52.6	0	0	0	0	111	N1005 L1006 T1011 A1012 L1013	N1005-T1009 PolarHBondContact O-N 2.77Å; N1005-T1009 PolarHBondContact O-OG1 3.47Å; L1006-T1009 PolarHBondContact O-N 2.72Å; T1009-T1011 VanDerWaalsContact C-N 3.33Å; T1009-T1011 PolarHBondContact O-N 2.89Å; T1009-A1012 PolarHBondContact O-N 3.01Å; T1009-L1013 HydrophobicContact CG2-CD1 4.11Å; T1009-L1013 VanDerWaalsContact O-CG 3.27Å; T1009-L1013 WeakPolarHBondContact O-CG 3.31Å; T1009-L1013 PolarHBondContact O-N 2.84Å
1010	N	64.1	Low	66.3	Low	92 Å²	92	74.8 Å²	74.8	49%	0.492	40%	0.397	S	S	.	.	H	α-helix	trans	-62.1	-39.5	174.8	-75.9	-31.5	0	0	0	112.2	L1006 K1008 L1013 M1014	L1006-N1010 VanDerWaalsContact O-CB 3.32Å; L1006-N1010 WeakPolarHBondContact O-CB 3.38Å; L1006-N1010 VanDerWaalsContact O-CG 3.26Å; L1006-N1010 PolarHBondContact O-N 3.49Å; L1006-N1010 PolarHBondContact O-ND2 3.29Å; K1008-N1010 PolarHBondContact O-N 3.32Å; N1010-L1013 PolarHBondContact O-N 3.09Å; N1010-M1014 WeakPolarHBondContact O-CG 3.37Å; N1010-M1014 PolarHBondContact O-N 3.39Å
1011	T	70.1	Confident	67.7	Low	19 Å²	19	76.5 Å²	76.5	12%	0.117	40%	0.402	C	S	.	.	H	α-helix	trans	-68.3	-38.1	178.2	-53.1	0	0	0	0	111.7	E1007 K1008 T1009 L1013 M1014 L1044 V1047	E1007-T1011 WeakPolarHBondContact O-CB 3.43Å; E1007-T1011 PolarHBondContact O-N 2.78Å; E1007-T1011 PolarHBondContact O-OG1 3.43Å; K1008-T1011 PolarHBondContact O-N 3.41Å; T1009-T1011 VanDerWaalsContact C-N 3.33Å; T1009-T1011 PolarHBondContact O-N 2.89Å; T1011-L1013 VanDerWaalsContact C-N 3.27Å; T1011-L1013 PolarHBondContact O-N 2.8Å; T1011-M1014 HydrophobicContact CG2-SD 4.37Å; T1011-M1014 WeakPolarHBondContact O-CB 3.44Å; T1011-M1014 PolarHBondContact O-N 3.29Å; T1011-L1044 HydrophobicContact CG2-CD2 3.71Å; T1011-L1044 HydrophobicContact CG2-CG 4.46Å; T1011-V1047 HydrophobicContact CG2-CG2 4.27Å
1012	A	66.6	Low	69	Low	64 Å²	64	76.9 Å²	76.9	53%	0.529	40%	0.396	S	S	.	.	H	α-helix	trans	-66.6	-27.6	173.5	0	0	0	0	0	113.1	K1008 T1009	K1008-A1012 WeakPolarHBondContact O-CB 3.4Å; K1008-A1012 PolarHBondContact O-N 3.45Å; T1009-A1012 PolarHBondContact O-N 3.01Å
1013	L	69.3	Low	70.6	Confident	135 Å²	135	74.1 Å²	74.1	71%	0.707	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-3.3	175.7	-68.6	169.5	0	0	0	114.1	T1009 N1010 T1011	T1009-L1013 HydrophobicContact CG2-CD1 4.11Å; T1009-L1013 VanDerWaalsContact O-CG 3.27Å; T1009-L1013 WeakPolarHBondContact O-CG 3.31Å; T1009-L1013 PolarHBondContact O-N 2.84Å; N1010-L1013 PolarHBondContact O-N 3.09Å; T1011-L1013 VanDerWaalsContact C-N 3.27Å; T1011-L1013 PolarHBondContact O-N 2.8Å
1014	M	74.1	Confident	71.8	Confident	35 Å²	35	78 Å²	78	17%	0.172	40%	0.401	C	S	.	.	S	Bend	trans	-68.9	136	176	-71.3	179.5	67.3	0	0	111.1	N1010 T1011 A1018 V1019 E1022 L1044 Q1051	N1010-M1014 WeakPolarHBondContact O-CG 3.37Å; N1010-M1014 PolarHBondContact O-N 3.39Å; T1011-M1014 HydrophobicContact CG2-SD 4.37Å; T1011-M1014 WeakPolarHBondContact O-CB 3.44Å; T1011-M1014 PolarHBondContact O-N 3.29Å; M1014-A1018 HydrophobicContact CE-CB 4.13Å; M1014-V1019 HydrophobicContact CB-CG2 3.44Å; M1014-V1019 VanDerWaalsContact CB-CG2 3.44Å; M1014-V1019 HydrophobicContact CE-CG2 4.46Å; M1014-E1022 HydrophobicContact CE-CB 4.49Å; M1014-L1044 HydrophobicContact CE-CD2 4.41Å; M1014-L1044 HydrophobicContact SD-CD2 4.1Å; M1014-Q1051 PolarHBondContact O-NE2 2.77Å
1015	S	78.9	Confident	73.2	Confident	69 Å²	69	80.7 Å²	80.7	48%	0.483	41%	0.412	S	S	.	.			trans	-66.2	149.1	174.7	68.7	0	0	0	0	111.2	E1017 A1018 V1019	S1015-E1017 PolarHBondContact O-N 3.44Å; S1015-A1018 PolarHBondContact O-N 2.86Å; S1015-A1018 WeakPolarHBondContact OG-CB 3.43Å; S1015-A1018 PolarHBondContact OG-N 2.65Å; S1015-V1019 WeakPolarHBondContact O-CG2 3.39Å; S1015-V1019 PolarHBondContact O-N 3.41Å
1016	Y	74.1	Confident	74.2	Confident	72 Å²	72	77 Å²	77	28%	0.282	39%	0.392	S	S	.	.	H	α-helix	trans	-51.3	-34.2	-179.4	-174.4	-92.8	0	0	0	113.5	N1020 V1048 Q1051	Y1016-N1020 WeakPolarHBondContact CD1-ND2 3.27Å; Y1016-N1020 WeakPolarHBondContact CE1-ND2 3.34Å; Y1016-N1020 PolarHBondContact O-N 3.5Å; Y1016-N1020 PolarHBondContact O-ND2 2.84Å; Y1016-V1048 HydrophobicContact CE2-CG1 4.17Å; Y1016-Q1051 HydrophobicContact CD2-CB 3.99Å
1017	E	72.9	Confident	75.3	Confident	147 Å²	147	75.7 Å²	75.7	69%	0.687	39%	0.385	S	S	*	.	H	α-helix	trans	-71.7	-45.5	176.1	-73.8	157	-159.2	0	0	111.9	S1015 V1019 N1020 E1021	S1015-E1017 PolarHBondContact O-N 3.44Å; E1017-V1019 VanDerWaalsContact C-N 3.35Å; E1017-V1019 PolarHBondContact O-N 3.37Å; E1017-N1020 PolarHBondContact O-N 3.3Å; E1017-E1021 WeakPolarHBondContact O-CB 3.33Å; E1017-E1021 PolarHBondContact O-N 3.06Å
1018	A	79.6	Confident	76.1	Confident	20 Å²	20	74.7 Å²	74.7	17%	0.165	40%	0.395	C	S	.	.	H	α-helix	trans	-66.8	-33	177.1	0	0	0	0	0	113.1	M1014 S1015 E1022	M1014-A1018 HydrophobicContact CE-CB 4.13Å; S1015-A1018 PolarHBondContact O-N 2.86Å; S1015-A1018 WeakPolarHBondContact OG-CB 3.43Å; S1015-A1018 PolarHBondContact OG-N 2.65Å; A1018-E1022 PolarHBondContact O-N 2.7Å; A1018-E1022 VanDerWaalsContact O-N 3.14Å
1019	V	81.1	Confident	76.8	Confident	0 Å²	0	72.7 Å²	72.7	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-65.5	-43.9	174.1	178.6	0	0	0	0	110.7	M1014 S1015 E1017 L1023 L1044 V1047 V1048	M1014-V1019 HydrophobicContact CB-CG2 3.44Å; M1014-V1019 VanDerWaalsContact CB-CG2 3.44Å; M1014-V1019 HydrophobicContact CE-CG2 4.46Å; S1015-V1019 WeakPolarHBondContact O-CG2 3.39Å; S1015-V1019 PolarHBondContact O-N 3.41Å; E1017-V1019 VanDerWaalsContact C-N 3.35Å; E1017-V1019 PolarHBondContact O-N 3.37Å; V1019-L1023 HydrophobicContact CG1-CD1 4.26Å; V1019-L1023 WeakPolarHBondContact O-CG 3.42Å; V1019-L1023 PolarHBondContact O-N 3.08Å; V1019-L1044 HydrophobicContact CG1-CB 4.21Å; V1019-L1044 HydrophobicContact CG1-CD2 3.89Å; V1019-L1044 HydrophobicContact CG2-CD2 4.48Å; V1019-V1047 HydrophobicContact CG1-CG1 4.47Å; V1019-V1047 HydrophobicContact CG2-CG1 4.17Å; V1019-V1048 HydrophobicContact CB-CG2 4.34Å; V1019-V1048 HydrophobicContact CG1-CG2 3.36Å
1020	N	79.6	Confident	77.1	Confident	44 Å²	44	75.9 Å²	75.9	24%	0.235	40%	0.396	C	S	.	.	H	α-helix	trans	-69.5	-42.7	177.4	-71.1	-48.7	0	0	0	112.2	Y1016 E1017 E1022 L1023 D1024	Y1016-N1020 WeakPolarHBondContact CD1-ND2 3.27Å; Y1016-N1020 WeakPolarHBondContact CE1-ND2 3.34Å; Y1016-N1020 PolarHBondContact O-N 3.5Å; Y1016-N1020 PolarHBondContact O-ND2 2.84Å; E1017-N1020 PolarHBondContact O-N 3.3Å; N1020-E1022 VanDerWaalsContact C-N 3.27Å; N1020-E1022 PolarHBondContact O-N 3.02Å; N1020-L1023 WeakPolarHBondContact O-CB 3.32Å; N1020-L1023 PolarHBondContact O-N 3.05Å; N1020-L1023 VanDerWaalsContact O-N 3.11Å; N1020-D1024 PolarHBondContact O-N 3.18Å
1021	E	82.4	Confident	77.2	Confident	138 Å²	138	79.3 Å²	79.3	65%	0.645	41%	0.414	S	S	*	.	H	α-helix	trans	-60.2	-35.9	177.9	-171.9	178.7	-155.9	0	0	112	E1017 R1025	E1017-E1021 WeakPolarHBondContact O-CB 3.33Å; E1017-E1021 PolarHBondContact O-N 3.06Å; E1021-R1025 WeakPolarHBondContact O-CB 3.36Å; E1021-R1025 PolarHBondContact O-N 2.84Å
1022	E	81.2	Confident	77.6	Confident	49 Å²	49	83.7 Å²	83.7	23%	0.229	44%	0.441	C	S	.	.	H	α-helix	trans	-81.3	-25.4	175.2	-164.7	153.7	-152.5	0	0	113.7	M1014 A1018 N1020 L1026 R1040 L1044	M1014-E1022 HydrophobicContact CE-CB 4.49Å; A1018-E1022 PolarHBondContact O-N 2.7Å; A1018-E1022 VanDerWaalsContact O-N 3.14Å; N1020-E1022 VanDerWaalsContact C-N 3.27Å; N1020-E1022 PolarHBondContact O-N 3.02Å; E1022-L1026 VanDerWaalsContact O-CG 3.26Å; E1022-L1026 WeakPolarHBondContact O-CG 3.32Å; E1022-L1026 PolarHBondContact O-N 3.28Å; E1022-R1040 IonicContact OE1-CZ 3.97Å; E1022-R1040 IonicContact OE1-NH1 3.55Å; E1022-R1040 PolarHBondContact OE1-NH1 2.63Å; E1022-R1040 IonicContact OE1-NH2 2.82Å; E1022-R1040 IonicContact OE2-CZ 3.76Å; E1022-R1040 IonicContact OE2-NH1 3.6Å; E1022-R1040 PolarHBondContact OE2-NH1 3.33Å; E1022-R1040 IonicContact OE2-NH2 2.9Å; E1022-R1040 PolarHBondContact OE2-NH2 3.48Å; E1022-L1044 HydrophobicContact CB-CD1 4.4Å; E1022-L1044 HydrophobicContact CG-CD1 4.26Å
1023	L	85.1	Confident	78.4	Confident	9 Å²	9	81.5 Å²	81.5	5%	0.047	42%	0.42	C	S	.	.	H	α-helix	trans	-65.8	-50.7	167.2	-80.1	169.2	0	0	0	111.6	V1019 N1020 R1025 L1026 D1027 Y1041 L1044 L1045 V1048	V1019-L1023 HydrophobicContact CG1-CD1 4.26Å; V1019-L1023 WeakPolarHBondContact O-CG 3.42Å; V1019-L1023 PolarHBondContact O-N 3.08Å; N1020-L1023 WeakPolarHBondContact O-CB 3.32Å; N1020-L1023 PolarHBondContact O-N 3.05Å; N1020-L1023 VanDerWaalsContact O-N 3.11Å; L1023-R1025 VanDerWaalsContact C-N 3.25Å; L1023-R1025 PolarHBondContact O-N 3.47Å; L1023-L1026 CarbonylContact O-C 3.55Å; L1023-L1026 WeakPolarHBondContact O-CA 3.33Å; L1023-L1026 PolarHBondContact O-N 2.91Å; L1023-D1027 PolarHBondContact O-N 3.39Å; L1023-Y1041 HydrophobicContact CD2-CD2 3.44Å; L1023-Y1041 VanDerWaalsContact CD2-CD2 3.44Å; L1023-Y1041 HydrophobicContact CD2-CE2 3.62Å; L1023-Y1041 HydrophobicContact CD2-CG 4.09Å; L1023-L1044 HydrophobicContact CD1-CB 4.26Å; L1023-L1044 HydrophobicContact CD2-CB 3.61Å; L1023-L1044 HydrophobicContact CD2-CD1 4.45Å; L1023-L1044 HydrophobicContact CG-CB 3.79Å; L1023-L1044 HydrophobicContact CG-CD1 4.49Å; L1023-L1045 HydrophobicContact CD1-CD2 4.1Å; L1023-L1045 HydrophobicContact CD2-CD2 4.1Å; L1023-L1045 HydrophobicContact CD2-CG 3.9Å; L1023-V1048 HydrophobicContact CD1-CG2 3.47Å; L1023-V1048 VanDerWaalsContact CD1-CG2 3.47Å
1024	D	81.3	Confident	79.1	Confident	113 Å²	113	79 Å²	79	60%	0.604	41%	0.41	S	S	*	.	H	α-helix	trans	-57.9	-40.2	178	-74.8	-27.3	0	0	0	111.2	N1020 L1026 D1027 A1028	N1020-D1024 PolarHBondContact O-N 3.18Å; D1024-L1026 VanDerWaalsContact C-N 3.28Å; D1024-L1026 PolarHBondContact O-N 3.02Å; D1024-D1027 PolarHBondContact O-N 3.32Å; D1024-A1028 WeakPolarHBondContact O-CB 3.36Å; D1024-A1028 PolarHBondContact O-N 2.94Å
1025	R	85.8	Confident	79.1	Confident	184 Å²	184	83.6 Å²	83.6	69%	0.694	44%	0.435	S	S	*	.	H	α-helix	trans	-64.3	-29.2	175.3	-175.7	176.2	-175.7	143.5	7.2	113.7	E1021 L1023	E1021-R1025 WeakPolarHBondContact O-CB 3.36Å; E1021-R1025 PolarHBondContact O-N 2.84Å; L1023-R1025 VanDerWaalsContact C-N 3.25Å; L1023-R1025 PolarHBondContact O-N 3.47Å
1026	L	83.1	Confident	78.7	Confident	12 Å²	12	85.1 Å²	85.1	6%	0.063	44%	0.437	C	S	.	.	H	α-helix	trans	-84.4	-42.4	176.4	-73.8	171.1	0	0	0	111.2	E1022 L1023 D1024 A1028 K1029 M1033 E1037 Y1041 L1044	E1022-L1026 VanDerWaalsContact O-CG 3.26Å; E1022-L1026 WeakPolarHBondContact O-CG 3.32Å; E1022-L1026 PolarHBondContact O-N 3.28Å; L1023-L1026 CarbonylContact O-C 3.55Å; L1023-L1026 WeakPolarHBondContact O-CA 3.33Å; L1023-L1026 PolarHBondContact O-N 2.91Å; D1024-L1026 VanDerWaalsContact C-N 3.28Å; D1024-L1026 PolarHBondContact O-N 3.02Å; L1026-A1028 PolarHBondContact O-N 3.48Å; L1026-K1029 WeakPolarHBondContact O-CB 3.39Å; L1026-K1029 PolarHBondContact O-N 3.37Å; L1026-M1033 HydrophobicContact CB-CE 4.08Å; L1026-M1033 HydrophobicContact CD2-CE 4.41Å; L1026-M1033 VanDerWaalsContact O-SD 3.39Å; L1026-E1037 HydrophobicContact CD2-CB 4.03Å; L1026-E1037 HydrophobicContact CD2-CG 4.08Å; L1026-Y1041 HydrophobicContact CB-CD2 3.79Å; L1026-Y1041 HydrophobicContact CD1-CD2 4.47Å; L1026-L1044 HydrophobicContact CD1-CD1 3.98Å
1027	D	80.4	Confident	78.9	Confident	73 Å²	73	83.9 Å²	83.9	39%	0.39	43%	0.434	S	S	.	.	H	α-helix	trans	-59.1	-35.2	174.1	-108	-42.8	0	0	0	112.2	L1023 D1024 K1029 Q1030 Y1041	L1023-D1027 PolarHBondContact O-N 3.39Å; D1024-D1027 PolarHBondContact O-N 3.32Å; D1027-K1029 PolarHBondContact O-N 2.99Å; D1027-Q1030 WeakPolarHBondContact O-CG 3.33Å; D1027-Q1030 PolarHBondContact O-N 3.26Å; D1027-Y1041 HydrophobicContact CB-CE2 4.27Å; D1027-Y1041 PolarHBondContact OD1-OH 3.07Å; D1027-Y1041 VanDerWaalsContact OD2-CE2 3.26Å; D1027-Y1041 WeakPolarHBondContact OD2-CE2 3.08Å; D1027-Y1041 VanDerWaalsContact OD2-CZ 3.29Å; D1027-Y1041 PolarHBondContact OD2-OH 3.02Å
1028	A	77.6	Confident	79.1	Confident	87 Å²	87	80.7 Å²	80.7	72%	0.719	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-14.6	172.9	0	0	0	0	0	114.5	D1024 L1026	D1024-A1028 WeakPolarHBondContact O-CB 3.36Å; D1024-A1028 PolarHBondContact O-N 2.94Å; L1026-A1028 PolarHBondContact O-N 3.48Å
1029	K	77.9	Confident	79.1	Confident	83 Å²	83	85.7 Å²	85.7	36%	0.361	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-18.6	173.8	-62.2	-173.9	174	-166.3	0	114.1	L1026 D1027 N1031 T1032 M1033 E1037	L1026-K1029 WeakPolarHBondContact O-CB 3.39Å; L1026-K1029 PolarHBondContact O-N 3.37Å; D1027-K1029 PolarHBondContact O-N 2.99Å; K1029-N1031 PolarHBondContact O-N 3.05Å; K1029-T1032 PolarHBondContact O-N 3.31Å; K1029-T1032 PolarHBondContact O-OG1 3.36Å; K1029-M1033 HydrophobicContact CB-CG 3.63Å; K1029-M1033 HydrophobicContact CD-CG 4.38Å; K1029-E1037 IonicContact NZ-OE1 3.86Å; K1029-E1037 PolarHBondContact NZ-OE1 3.41Å; K1029-E1037 IonicContact NZ-OE2 2.72Å
1030	Q	73.3	Confident	79	Confident	148 Å²	148	89.7 Å²	89.7	69%	0.692	45%	0.449	S	S	*	.	G	3₁₀ helix	trans	40.4	-123.4	-176.5	-59.1	-170.9	-14.2	0	0	112.8	D1027 T1032 M1033	D1027-Q1030 WeakPolarHBondContact O-CG 3.33Å; D1027-Q1030 PolarHBondContact O-N 3.26Å; Q1030-T1032 PolarHBondContact O-N 3.26Å; Q1030-M1033 WeakPolarHBondContact O-CG 3.31Å; Q1030-M1033 PolarHBondContact O-N 3.35Å
1031	N	66.6	Low	79.3	Confident	165 Å²	165	89.9 Å²	89.9	88%	0.882	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-67.6	-0.8	-176.2	-67.2	0.6	0	0	0	114.9	K1029	K1029-N1031 PolarHBondContact O-N 3.05Å
1032	T	78.2	Confident	79.2	Confident	111 Å²	111	91.3 Å²	91.3	68%	0.681	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-97	-1	178.9	68.9	0	0	0	0	114.3	K1029 Q1030	K1029-T1032 PolarHBondContact O-N 3.31Å; K1029-T1032 PolarHBondContact O-OG1 3.36Å; Q1030-T1032 PolarHBondContact O-N 3.26Å
1033	M	83.8	Confident	79.1	Confident	18 Å²	18	92.6 Å²	92.6	9%	0.089	45%	0.452	C	S	.	.			trans	-63.2	133.3	177.2	-66.7	169.3	65.1	0	0	112.5	L1026 K1029 Q1030 E1037 Q1038 Y1041	L1026-M1033 HydrophobicContact CB-CE 4.08Å; L1026-M1033 HydrophobicContact CD2-CE 4.41Å; L1026-M1033 VanDerWaalsContact O-SD 3.39Å; K1029-M1033 HydrophobicContact CB-CG 3.63Å; K1029-M1033 HydrophobicContact CD-CG 4.38Å; Q1030-M1033 WeakPolarHBondContact O-CG 3.31Å; Q1030-M1033 PolarHBondContact O-N 3.35Å; M1033-E1037 HydrophobicContact CB-CB 4.23Å; M1033-E1037 HydrophobicContact CE-CB 4.26Å; M1033-E1037 WeakPolarHBondContact CE-O 3.5Å; M1033-Q1038 HydrophobicContact CB-CG 3.78Å; M1033-Q1038 HydrophobicContact CE-CG 4.26Å; M1033-Q1038 PolarHBondContact O-NE2 2.78Å; M1033-Y1041 HydrophobicContact CE-CD2 4.27Å; M1033-Y1041 HydrophobicContact CE-CG 3.89Å
1034	T	84.9	Confident	78.9	Confident	81 Å²	81	92.2 Å²	92.2	50%	0.497	45%	0.45	S	S	.	.			trans	-68	163.7	172.3	61.5	0	0	0	0	112.1	D1036 E1037 Q1038	T1034-D1036 VanDerWaalsContact C-N 3.29Å; T1034-D1036 PolarHBondContact O-N 3.26Å; T1034-E1037 WeakPolarHBondContact CB-OE2 3.38Å; T1034-E1037 WeakPolarHBondContact CG2-OE2 3.49Å; T1034-E1037 PolarHBondContact N-OE2 3.39Å; T1034-E1037 WeakPolarHBondContact O-CB 3.41Å; T1034-E1037 PolarHBondContact O-N 3.08Å; T1034-E1037 VanDerWaalsContact O-N 3.13Å; T1034-E1037 VanDerWaalsContact OG1-CD 3.25Å; T1034-E1037 VanDerWaalsContact OG1-CG 3.25Å; T1034-E1037 WeakPolarHBondContact OG1-CG 3.32Å; T1034-E1037 PolarHBondContact OG1-OE2 3.01Å; T1034-Q1038 WeakPolarHBondContact O-CG 3.45Å; T1034-Q1038 PolarHBondContact O-N 2.8Å
1035	I	72.7	Confident	78.9	Confident	133 Å²	133	90.4 Å²	90.4	68%	0.682	44%	0.44	S	S	*	.	H	α-helix	trans	-59.1	-38.5	-175.2	-64.9	173	0	0	0	112.2	Q1038 R1039	I1035-Q1038 PolarHBondContact O-N 3.39Å; I1035-R1039 PolarHBondContact O-N 2.9Å
1036	D	70.3	Confident	78.6	Confident	100 Å²	100	86.9 Å²	86.9	54%	0.535	44%	0.435	S	S	.	.	H	α-helix	trans	-79	-27.5	179.2	-61.4	-51.5	0	0	0	112.5	T1034 R1039 R1040	T1034-D1036 VanDerWaalsContact C-N 3.29Å; T1034-D1036 PolarHBondContact O-N 3.26Å; D1036-R1039 WeakPolarHBondContact O-CB 3.08Å; D1036-R1039 PolarHBondContact O-N 2.91Å; D1036-R1039 IonicContact OD1-CZ 3.24Å; D1036-R1039 IonicContact OD1-NE 2.79Å; D1036-R1039 IonicContact OD1-NH2 3.75Å; D1036-R1039 PolarHBondContact OD1-NH2 3.12Å; D1036-R1040 WeakPolarHBondContact O-CB 2.95Å; D1036-R1040 PolarHBondContact O-N 2.86Å
1037	E	78.6	Confident	78.3	Confident	46 Å²	46	87.3 Å²	87.3	22%	0.215	44%	0.438	C	S	.	.	H	α-helix	trans	-67.6	-39.9	167.2	-72.3	172	131.2	0	0	111.9	L1026 K1029 M1033 T1034 R1039 R1040 Y1041	L1026-E1037 HydrophobicContact CD2-CB 4.03Å; L1026-E1037 HydrophobicContact CD2-CG 4.08Å; K1029-E1037 IonicContact NZ-OE1 3.86Å; K1029-E1037 PolarHBondContact NZ-OE1 3.41Å; K1029-E1037 IonicContact NZ-OE2 2.72Å; M1033-E1037 HydrophobicContact CB-CB 4.23Å; M1033-E1037 HydrophobicContact CE-CB 4.26Å; M1033-E1037 WeakPolarHBondContact CE-O 3.5Å; T1034-E1037 WeakPolarHBondContact CB-OE2 3.38Å; T1034-E1037 WeakPolarHBondContact CG2-OE2 3.49Å; T1034-E1037 PolarHBondContact N-OE2 3.39Å; T1034-E1037 WeakPolarHBondContact O-CB 3.41Å; T1034-E1037 PolarHBondContact O-N 3.08Å; T1034-E1037 VanDerWaalsContact O-N 3.13Å; T1034-E1037 VanDerWaalsContact OG1-CD 3.25Å; T1034-E1037 VanDerWaalsContact OG1-CG 3.25Å; T1034-E1037 WeakPolarHBondContact OG1-CG 3.32Å; T1034-E1037 PolarHBondContact OG1-OE2 3.01Å; E1037-R1039 VanDerWaalsContact C-N 3.27Å; E1037-R1039 PolarHBondContact O-N 3.24Å; E1037-R1040 PolarHBondContact O-N 2.86Å; E1037-Y1041 VanDerWaalsContact O-CB 3.27Å; E1037-Y1041 WeakPolarHBondContact O-CB 3.26Å; E1037-Y1041 PolarHBondContact O-N 2.93Å
1038	Q	78.3	Confident	78.1	Confident	80 Å²	80	84.9 Å²	84.9	37%	0.374	43%	0.426	S	S	.	.	H	α-helix	trans	-64.5	-31.4	173.1	-68.5	179.3	28	0	0	112.2	M1033 T1034 I1035 R1042	M1033-Q1038 HydrophobicContact CB-CG 3.78Å; M1033-Q1038 HydrophobicContact CE-CG 4.26Å; M1033-Q1038 PolarHBondContact O-NE2 2.78Å; T1034-Q1038 WeakPolarHBondContact O-CG 3.45Å; T1034-Q1038 PolarHBondContact O-N 2.8Å; I1035-Q1038 PolarHBondContact O-N 3.39Å; Q1038-R1042 WeakPolarHBondContact O-CG 3.44Å; Q1038-R1042 PolarHBondContact O-N 3.43Å
1039	R	79	Confident	78	Confident	126 Å²	126	82.5 Å²	82.5	48%	0.475	41%	0.406	S	S	.	.	H	α-helix	trans	-68.7	-53.2	170.5	-170.2	-171	-46.1	-165.4	13	111	I1035 D1036 E1037 Y1041 R1042 E1043	I1035-R1039 PolarHBondContact O-N 2.9Å; D1036-R1039 WeakPolarHBondContact O-CB 3.08Å; D1036-R1039 PolarHBondContact O-N 2.91Å; D1036-R1039 IonicContact OD1-CZ 3.24Å; D1036-R1039 IonicContact OD1-NE 2.79Å; D1036-R1039 IonicContact OD1-NH2 3.75Å; D1036-R1039 PolarHBondContact OD1-NH2 3.12Å; E1037-R1039 VanDerWaalsContact C-N 3.27Å; E1037-R1039 PolarHBondContact O-N 3.24Å; R1039-Y1041 VanDerWaalsContact C-N 3.3Å; R1039-Y1041 PolarHBondContact O-N 3.07Å; R1039-R1042 WeakPolarHBondContact O-CA 3.38Å; R1039-R1042 WeakPolarHBondContact O-CB 3.35Å; R1039-R1042 PolarHBondContact O-N 3.4Å; R1039-E1043 PolarHBondContact O-N 2.89Å
1040	R	80	Confident	77.7	Confident	84 Å²	84	84.5 Å²	84.5	32%	0.317	42%	0.417	S	S	.	.	H	α-helix	trans	-63.3	-35.1	-176.3	-170.1	160.9	177.6	-105.1	-10.4	112.4	E1022 D1036 E1037 E1043 L1044	E1022-R1040 IonicContact OE1-CZ 3.97Å; E1022-R1040 IonicContact OE1-NH1 3.55Å; E1022-R1040 PolarHBondContact OE1-NH1 2.63Å; E1022-R1040 IonicContact OE1-NH2 2.82Å; E1022-R1040 IonicContact OE2-CZ 3.76Å; E1022-R1040 IonicContact OE2-NH1 3.6Å; E1022-R1040 PolarHBondContact OE2-NH1 3.33Å; E1022-R1040 IonicContact OE2-NH2 2.9Å; E1022-R1040 PolarHBondContact OE2-NH2 3.48Å; D1036-R1040 WeakPolarHBondContact O-CB 2.95Å; D1036-R1040 PolarHBondContact O-N 2.86Å; E1037-R1040 PolarHBondContact O-N 2.86Å; R1040-E1043 PolarHBondContact O-N 3.29Å; R1040-L1044 HydrophobicContact CG-CD1 4.16Å; R1040-L1044 HydrophobicContact CG-CG 4.43Å; R1040-L1044 WeakPolarHBondContact O-CB 3.43Å; R1040-L1044 VanDerWaalsContact O-CG 3.25Å; R1040-L1044 WeakPolarHBondContact O-CG 3.13Å; R1040-L1044 PolarHBondContact O-N 3.41Å
1041	Y	84.1	Confident	77.5	Confident	48 Å²	48	79.4 Å²	79.4	19%	0.188	39%	0.393	C	S	.	.	H	α-helix	trans	-61	-43.3	170.7	179.2	-95.3	0	0	0	112.5	L1023 L1026 D1027 M1033 E1037 R1039 L1044 L1045	L1023-Y1041 HydrophobicContact CD2-CD2 3.44Å; L1023-Y1041 VanDerWaalsContact CD2-CD2 3.44Å; L1023-Y1041 HydrophobicContact CD2-CE2 3.62Å; L1023-Y1041 HydrophobicContact CD2-CG 4.09Å; L1026-Y1041 HydrophobicContact CB-CD2 3.79Å; L1026-Y1041 HydrophobicContact CD1-CD2 4.47Å; D1027-Y1041 HydrophobicContact CB-CE2 4.27Å; D1027-Y1041 PolarHBondContact OD1-OH 3.07Å; D1027-Y1041 VanDerWaalsContact OD2-CE2 3.26Å; D1027-Y1041 WeakPolarHBondContact OD2-CE2 3.08Å; D1027-Y1041 VanDerWaalsContact OD2-CZ 3.29Å; D1027-Y1041 PolarHBondContact OD2-OH 3.02Å; M1033-Y1041 HydrophobicContact CE-CD2 4.27Å; M1033-Y1041 HydrophobicContact CE-CG 3.89Å; E1037-Y1041 VanDerWaalsContact O-CB 3.27Å; E1037-Y1041 WeakPolarHBondContact O-CB 3.26Å; E1037-Y1041 PolarHBondContact O-N 2.93Å; R1039-Y1041 VanDerWaalsContact C-N 3.3Å; R1039-Y1041 PolarHBondContact O-N 3.07Å; Y1041-L1044 PolarHBondContact O-N 2.96Å; Y1041-L1045 HydrophobicContact CD1-CD1 3.9Å; Y1041-L1045 HydrophobicContact CD1-CG 4.45Å; Y1041-L1045 HydrophobicContact CE1-CD1 3.41Å; Y1041-L1045 VanDerWaalsContact CE1-CD1 3.41Å; Y1041-L1045 HydrophobicContact CE1-CG 4.14Å; Y1041-L1045 WeakPolarHBondContact O-CB 3.38Å; Y1041-L1045 WeakPolarHBondContact O-CG 3.3Å; Y1041-L1045 PolarHBondContact O-N 3.11Å
1042	R	80.6	Confident	77.6	Confident	168 Å²	168	73.7 Å²	73.7	63%	0.634	37%	0.366	S	S	*	.	H	α-helix	trans	-66.5	-36.2	174.2	-71.3	173.7	-178.6	163.7	4.4	112.8	Q1038 R1039 N1046	Q1038-R1042 WeakPolarHBondContact O-CG 3.44Å; Q1038-R1042 PolarHBondContact O-N 3.43Å; R1039-R1042 WeakPolarHBondContact O-CA 3.38Å; R1039-R1042 WeakPolarHBondContact O-CB 3.35Å; R1039-R1042 PolarHBondContact O-N 3.4Å; R1042-N1046 PolarHBondContact O-N 3.39Å
1043	E	79.5	Confident	77.1	Confident	76 Å²	76	76.4 Å²	76.4	36%	0.355	36%	0.364	S	S	.	.	H	α-helix	trans	-68.4	-44.2	176.3	-70.6	172.6	153.2	0	0	111.1	R1039 R1040 N1046 V1047	R1039-E1043 PolarHBondContact O-N 2.89Å; R1040-E1043 PolarHBondContact O-N 3.29Å; E1043-N1046 PolarHBondContact O-N 2.94Å; E1043-V1047 PolarHBondContact O-N 2.63Å
1044	L	81.8	Confident	76	Confident	0 Å²	0	77.7 Å²	77.7	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-62.4	-40.8	173.6	-70.1	165.6	0	0	0	112.2	T1011 M1014 V1019 E1022 L1023 L1026 R1040 Y1041 N1046 V1047 V1048	T1011-L1044 HydrophobicContact CG2-CD2 3.71Å; T1011-L1044 HydrophobicContact CG2-CG 4.46Å; M1014-L1044 HydrophobicContact CE-CD2 4.41Å; M1014-L1044 HydrophobicContact SD-CD2 4.1Å; V1019-L1044 HydrophobicContact CG1-CB 4.21Å; V1019-L1044 HydrophobicContact CG1-CD2 3.89Å; V1019-L1044 HydrophobicContact CG2-CD2 4.48Å; E1022-L1044 HydrophobicContact CB-CD1 4.4Å; E1022-L1044 HydrophobicContact CG-CD1 4.26Å; L1023-L1044 HydrophobicContact CD1-CB 4.26Å; L1023-L1044 HydrophobicContact CD2-CB 3.61Å; L1023-L1044 HydrophobicContact CD2-CD1 4.45Å; L1023-L1044 HydrophobicContact CG-CB 3.79Å; L1023-L1044 HydrophobicContact CG-CD1 4.49Å; L1026-L1044 HydrophobicContact CD1-CD1 3.98Å; R1040-L1044 HydrophobicContact CG-CD1 4.16Å; R1040-L1044 HydrophobicContact CG-CG 4.43Å; R1040-L1044 WeakPolarHBondContact O-CB 3.43Å; R1040-L1044 VanDerWaalsContact O-CG 3.25Å; R1040-L1044 WeakPolarHBondContact O-CG 3.13Å; R1040-L1044 PolarHBondContact O-N 3.41Å; Y1041-L1044 PolarHBondContact O-N 2.96Å; L1044-N1046 VanDerWaalsContact C-N 3.31Å; L1044-N1046 PolarHBondContact O-N 3.49Å; L1044-V1047 PolarHBondContact O-N 2.74Å; L1044-V1047 VanDerWaalsContact O-N 3.14Å; L1044-V1048 PolarHBondContact O-N 3.13Å
1045	L	80.9	Confident	74.8	Confident	75 Å²	75	80.4 Å²	80.4	39%	0.393	38%	0.379	S	S	.	.	H	α-helix	trans	-59.9	-38.8	174.2	-80	177.9	0	0	0	112.7	L1023 Y1041 V1048 A1049	L1023-L1045 HydrophobicContact CD1-CD2 4.1Å; L1023-L1045 HydrophobicContact CD2-CD2 4.1Å; L1023-L1045 HydrophobicContact CD2-CG 3.9Å; Y1041-L1045 HydrophobicContact CD1-CD1 3.9Å; Y1041-L1045 HydrophobicContact CD1-CG 4.45Å; Y1041-L1045 HydrophobicContact CE1-CD1 3.41Å; Y1041-L1045 VanDerWaalsContact CE1-CD1 3.41Å; Y1041-L1045 HydrophobicContact CE1-CG 4.14Å; Y1041-L1045 WeakPolarHBondContact O-CB 3.38Å; Y1041-L1045 WeakPolarHBondContact O-CG 3.3Å; Y1041-L1045 PolarHBondContact O-N 3.11Å; L1045-V1048 PolarHBondContact O-N 3.27Å; L1045-A1049 PolarHBondContact O-N 2.88Å
1046	N	78.3	Confident	73.9	Confident	110 Å²	110	79.8 Å²	79.8	59%	0.588	37%	0.371	S	S	*	.	H	α-helix	trans	-66	-41.3	173.9	-77.3	-16	0	0	0	111.4	R1042 E1043 L1044 A1049 E1050	R1042-N1046 PolarHBondContact O-N 3.39Å; E1043-N1046 PolarHBondContact O-N 2.94Å; L1044-N1046 VanDerWaalsContact C-N 3.31Å; L1044-N1046 PolarHBondContact O-N 3.49Å; N1046-A1049 WeakPolarHBondContact O-CB 3.35Å; N1046-A1049 PolarHBondContact O-N 3.02Å; N1046-A1049 VanDerWaalsContact O-N 3.13Å; N1046-E1050 PolarHBondContact O-N 3.15Å
1047	V	78.1	Confident	73	Confident	21 Å²	21	79.7 Å²	79.7	13%	0.127	37%	0.37	C	S	.	.	H	α-helix	trans	-64.1	-39.4	175.8	174.1	0	0	0	0	111.7	T1011 V1019 E1043 L1044 A1049 E1050 Q1051	T1011-V1047 HydrophobicContact CG2-CG2 4.27Å; V1019-V1047 HydrophobicContact CG1-CG1 4.47Å; V1019-V1047 HydrophobicContact CG2-CG1 4.17Å; E1043-V1047 PolarHBondContact O-N 2.63Å; L1044-V1047 PolarHBondContact O-N 2.74Å; L1044-V1047 VanDerWaalsContact O-N 3.14Å; V1047-A1049 VanDerWaalsContact C-N 3.33Å; V1047-A1049 PolarHBondContact O-N 3.37Å; V1047-E1050 PolarHBondContact O-N 3.36Å; V1047-Q1051 HydrophobicContact CG1-CG 4.15Å; V1047-Q1051 WeakPolarHBondContact O-CB 3.43Å; V1047-Q1051 WeakPolarHBondContact O-CG 3.3Å; V1047-Q1051 PolarHBondContact O-N 3.3Å
1048	V	76.6	Confident	71.2	Confident	22 Å²	22	82.9 Å²	82.9	13%	0.133	39%	0.388	C	S	.	.	H	α-helix	trans	-61.3	-41.7	170.8	176.5	0	0	0	0	111.1	Y1016 V1019 L1023 L1044 L1045 S1052	Y1016-V1048 HydrophobicContact CE2-CG1 4.17Å; V1019-V1048 HydrophobicContact CB-CG2 4.34Å; V1019-V1048 HydrophobicContact CG1-CG2 3.36Å; L1023-V1048 HydrophobicContact CD1-CG2 3.47Å; L1023-V1048 VanDerWaalsContact CD1-CG2 3.47Å; L1044-V1048 PolarHBondContact O-N 3.13Å; L1045-V1048 PolarHBondContact O-N 3.27Å; V1048-S1052 WeakPolarHBondContact O-CB 3.36Å; V1048-S1052 PolarHBondContact O-N 3.3Å; V1048-S1052 PolarHBondContact O-OG 3.22Å
1049	A	75.1	Confident	69.4	Low	38 Å²	38	82.7 Å²	82.7	31%	0.314	40%	0.395	S	S	.	.	H	α-helix	trans	-64.6	-39.7	178.5	0	0	0	0	0	112.3	L1045 N1046 V1047 R1053	L1045-A1049 PolarHBondContact O-N 2.88Å; N1046-A1049 WeakPolarHBondContact O-CB 3.35Å; N1046-A1049 PolarHBondContact O-N 3.02Å; N1046-A1049 VanDerWaalsContact O-N 3.13Å; V1047-A1049 VanDerWaalsContact C-N 3.33Å; V1047-A1049 PolarHBondContact O-N 3.37Å; A1049-R1053 VanDerWaalsContact O-CG 3.3Å; A1049-R1053 WeakPolarHBondContact O-CG 3.11Å; A1049-R1053 PolarHBondContact O-N 2.76Å
1050	E	70.6	Confident	67.7	Low	124 Å²	124	81.1 Å²	81.1	58%	0.579	39%	0.393	S	S	*	.	H	α-helix	trans	-71.1	-47.3	174.9	-70.9	-170.8	143.1	0	0	112.5	N1046 V1047 S1052 R1053 A1054	N1046-E1050 PolarHBondContact O-N 3.15Å; V1047-E1050 PolarHBondContact O-N 3.36Å; E1050-S1052 PolarHBondContact O-N 2.66Å; E1050-R1053 WeakPolarHBondContact O-CB 3.43Å; E1050-R1053 PolarHBondContact O-N 3.04Å; E1050-R1053 VanDerWaalsContact O-N 3.11Å; E1050-A1054 WeakPolarHBondContact O-CB 3.43Å; E1050-A1054 PolarHBondContact O-N 3.32Å
1051	Q	69.2	Low	65.8	Low	41 Å²	41	82.1 Å²	82.1	19%	0.192	40%	0.404	C	S	.	.	H	α-helix	trans	-63	-30.7	175.5	-69.2	-174.2	3.9	0	0	112.1	M1014 Y1016 V1047 R1055	M1014-Q1051 PolarHBondContact O-NE2 2.77Å; Y1016-Q1051 HydrophobicContact CD2-CB 3.99Å; V1047-Q1051 HydrophobicContact CG1-CG 4.15Å; V1047-Q1051 WeakPolarHBondContact O-CB 3.43Å; V1047-Q1051 WeakPolarHBondContact O-CG 3.3Å; V1047-Q1051 PolarHBondContact O-N 3.3Å; Q1051-R1055 WeakPolarHBondContact O-CB 3.45Å; Q1051-R1055 PolarHBondContact O-N 2.93Å
1052	S	69	Low	63.2	Low	46 Å²	46	90.7 Å²	90.7	32%	0.322	44%	0.436	S	S	.	.	H	α-helix	trans	-70	-41.1	171.9	-61.8	0	0	0	0	112.4	V1048 E1050 K1056	V1048-S1052 WeakPolarHBondContact O-CB 3.36Å; V1048-S1052 PolarHBondContact O-N 3.3Å; V1048-S1052 PolarHBondContact O-OG 3.22Å; E1050-S1052 PolarHBondContact O-N 2.66Å; S1052-K1056 WeakPolarHBondContact O-CB 3.47Å; S1052-K1056 PolarHBondContact O-N 3.25Å
1053	R	68	Low	60.9	Low	168 Å²	168	86.4 Å²	86.4	63%	0.634	43%	0.431	S	S	*	.	H	α-helix	trans	-63.4	-45.2	172.3	-75.1	168.2	178.9	152.2	-1.5	111.2	A1049 E1050 K1056 L1057	A1049-R1053 VanDerWaalsContact O-CG 3.3Å; A1049-R1053 WeakPolarHBondContact O-CG 3.11Å; A1049-R1053 PolarHBondContact O-N 2.76Å; E1050-R1053 WeakPolarHBondContact O-CB 3.43Å; E1050-R1053 PolarHBondContact O-N 3.04Å; E1050-R1053 VanDerWaalsContact O-N 3.11Å; R1053-K1056 PolarHBondContact O-N 2.97Å; R1053-L1057 WeakPolarHBondContact O-CG 3.32Å; R1053-L1057 PolarHBondContact O-N 3.43Å
1054	A	61.7	Low	58.3	Low	45 Å²	45	88.3 Å²	88.3	37%	0.372	45%	0.45	S	S	.	.	H	α-helix	trans	-62.9	-42.6	177.2	0	0	0	0	0	111.7	E1050 L1057 L1058	E1050-A1054 WeakPolarHBondContact O-CB 3.43Å; E1050-A1054 PolarHBondContact O-N 3.32Å; A1054-L1057 PolarHBondContact O-N 3.03Å; A1054-L1058 VanDerWaalsContact O-CB 3.32Å; A1054-L1058 WeakPolarHBondContact O-CB 3.31Å; A1054-L1058 VanDerWaalsContact O-CG 3.27Å; A1054-L1058 WeakPolarHBondContact O-CG 3.39Å; A1054-L1058 PolarHBondContact O-N 3.12Å
1055	R	58.7	Low	56.1	Low	138 Å²	138	92.3 Å²	92.3	52%	0.521	48%	0.477	S	S	.	.	H	α-helix	trans	-65.4	-35.3	172.2	-85.4	-177.4	161	178.9	-7	113	Q1051 L1058 S1059	Q1051-R1055 WeakPolarHBondContact O-CB 3.45Å; Q1051-R1055 PolarHBondContact O-N 2.93Å; R1055-L1058 PolarHBondContact O-N 3.46Å; R1055-S1059 WeakPolarHBondContact O-CB 3.34Å; R1055-S1059 PolarHBondContact O-N 3.24Å; R1055-S1059 PolarHBondContact O-OG 2.83Å
1056	K	54.1	Low	53.7	Low	119 Å²	119	95 Å²	95	52%	0.517	50%	0.496	S	S	.	.	H	α-helix	trans	-65.9	-48.8	174.6	-168.6	173.7	-178.3	-68.5	0	111.1	S1052 R1053 L1058 S1059 E1060	S1052-K1056 WeakPolarHBondContact O-CB 3.47Å; S1052-K1056 PolarHBondContact O-N 3.25Å; R1053-K1056 PolarHBondContact O-N 2.97Å; K1056-L1058 PolarHBondContact O-N 3.07Å; K1056-S1059 WeakPolarHBondContact CA-OG 3.49Å; K1056-S1059 PolarHBondContact O-N 3.27Å; K1056-S1059 VanDerWaalsContact O-N 3.08Å; K1056-S1059 PolarHBondContact O-OG 2.92Å; K1056-E1060 IonicContact NZ-OE1 3.9Å; K1056-E1060 PolarHBondContact NZ-OE1 3.44Å; K1056-E1060 IonicContact NZ-OE2 3.79Å; K1056-E1060 WeakPolarHBondContact O-CG 3.48Å; K1056-E1060 PolarHBondContact O-N 3.05Å
1057	L	50.6	Low	51.5	Low	99 Å²	99	93.7 Å²	93.7	52%	0.518	50%	0.496	S	S	.	.	H	α-helix	trans	-57.3	-46.3	172.5	-74.2	167.1	0	0	0	111.6	R1053 A1054 S1059 E1060 I1061	R1053-L1057 WeakPolarHBondContact O-CG 3.32Å; R1053-L1057 PolarHBondContact O-N 3.43Å; A1054-L1057 PolarHBondContact O-N 3.03Å; L1057-S1059 VanDerWaalsContact C-N 3.28Å; L1057-S1059 PolarHBondContact O-N 3.43Å; L1057-E1060 CarbonylContact O-C 3.57Å; L1057-E1060 PolarHBondContact O-N 3.14Å; L1057-E1060 VanDerWaalsContact O-N 3.09Å; L1057-I1061 WeakPolarHBondContact O-CB 3.4Å; L1057-I1061 WeakPolarHBondContact O-CD1 3.21Å; L1057-I1061 WeakPolarHBondContact O-CG1 3.49Å; L1057-I1061 PolarHBondContact O-N 3Å
1058	L	41.2	Very low	49	Very low	113 Å²	113	101.8 Å²	101.8	59%	0.592	53%	0.525	S	S	*	.	H	α-helix	trans	-64.5	-29.7	176.1	-74.6	167	0	0	0	113	A1054 R1055 K1056 R1062	A1054-L1058 VanDerWaalsContact O-CB 3.32Å; A1054-L1058 WeakPolarHBondContact O-CB 3.31Å; A1054-L1058 VanDerWaalsContact O-CG 3.27Å; A1054-L1058 WeakPolarHBondContact O-CG 3.39Å; A1054-L1058 PolarHBondContact O-N 3.12Å; R1055-L1058 PolarHBondContact O-N 3.46Å; K1056-L1058 PolarHBondContact O-N 3.07Å; L1058-R1062 WeakPolarHBondContact O-CB 3.43Å; L1058-R1062 PolarHBondContact O-N 2.93Å; L1058-R1062 VanDerWaalsContact O-N 3.11Å
1059	S	41.5	Very low	46.7	Very low	76 Å²	76	108.2 Å²	108.2	53%	0.531	55%	0.554	S	S	.	*	H	α-helix	trans	-74.1	-29.9	171.7	67.9	0	0	0	0	113.2	R1055 K1056 L1057	R1055-S1059 WeakPolarHBondContact O-CB 3.34Å; R1055-S1059 PolarHBondContact O-N 3.24Å; R1055-S1059 PolarHBondContact O-OG 2.83Å; K1056-S1059 WeakPolarHBondContact CA-OG 3.49Å; K1056-S1059 PolarHBondContact O-N 3.27Å; K1056-S1059 VanDerWaalsContact O-N 3.08Å; K1056-S1059 PolarHBondContact O-OG 2.92Å; L1057-S1059 VanDerWaalsContact C-N 3.28Å; L1057-S1059 PolarHBondContact O-N 3.43Å
1060	E	41.3	Very low	44.3	Very low	93 Å²	93	113.4 Å²	113.4	44%	0.435	57%	0.572	S	S	.	*	H	α-helix	trans	-79	-31.9	175.5	-70.9	164.8	165.3	0	0	111.6	K1056 L1057 R1062 S1063	K1056-E1060 IonicContact NZ-OE1 3.9Å; K1056-E1060 PolarHBondContact NZ-OE1 3.44Å; K1056-E1060 IonicContact NZ-OE2 3.79Å; K1056-E1060 WeakPolarHBondContact O-CG 3.48Å; K1056-E1060 PolarHBondContact O-N 3.05Å; L1057-E1060 CarbonylContact O-C 3.57Å; L1057-E1060 PolarHBondContact O-N 3.14Å; L1057-E1060 VanDerWaalsContact O-N 3.09Å; E1060-R1062 VanDerWaalsContact C-N 3.32Å; E1060-S1063 PolarHBondContact O-N 2.74Å; E1060-S1063 PolarHBondContact O-OG 2.98Å
1061	I	42.1	Very low	42.2	Very low	105 Å²	105	119.1 Å²	119.1	54%	0.538	59%	0.588	S	S	.	*	H	α-helix	trans	-73.2	-23.4	171.4	-68.1	162.3	0	0	0	111.6	L1057 S1063	L1057-I1061 WeakPolarHBondContact O-CB 3.4Å; L1057-I1061 WeakPolarHBondContact O-CD1 3.21Å; L1057-I1061 WeakPolarHBondContact O-CG1 3.49Å; L1057-I1061 PolarHBondContact O-N 3Å; I1061-S1063 VanDerWaalsContact C-N 3.31Å
1062	R	28.4	Very low	40.1	Very low	228 Å²	228	124.8 Å²	124.8	86%	0.86	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	-0.7	176.6	-143.5	175.7	-168.1	-165.4	3	114.3	L1058 E1060	L1058-R1062 WeakPolarHBondContact O-CB 3.43Å; L1058-R1062 PolarHBondContact O-N 2.93Å; L1058-R1062 VanDerWaalsContact O-N 3.11Å; E1060-R1062 VanDerWaalsContact C-N 3.32Å
1063	S	31.4	Very low	38.1	Very low	77 Å²	77	128.4 Å²	128.4	54%	0.538	63%	0.629	S	S	.	*	S	Bend	trans	-87.7	117.4	149.8	32.4	0	0	0	0	108.2	E1060 I1061 P1065	E1060-S1063 PolarHBondContact O-N 2.74Å; E1060-S1063 PolarHBondContact O-OG 2.98Å; I1061-S1063 VanDerWaalsContact C-N 3.31Å; S1063-P1065 WeakPolarHBondContact O-CD 3.38Å
1064	P	25.9	Very low	36.1	Very low	116 Å²	116	126.6 Å²	126.6	75%	0.753	64%	0.639	S	S	*	*			trans	-70.8	125.5	-159.6	25.8	-35	0	0	0	113.8
1065	P	36.5	Very low	34.3	Very low	85 Å²	85	130.9 Å²	130.9	55%	0.552	65%	0.654	S	S	*	*			trans	-93.6	-152.4	157.7	37.1	-26.2	0	0	0	109.6	S1063	S1063-P1065 WeakPolarHBondContact O-CD 3.38Å
1066	T	29.6	Very low	32.7	Very low	130 Å²	130	133.4 Å²	133.4	80%	0.798	67%	0.672	S	S	*	*			trans	78.3	141.4	174.2	71.4	0	0	0	0	116
1067	S	31.5	Very low	31.3	Very low	83 Å²	83	132 Å²	132	58%	0.58	67%	0.673	S	S	*	*			cis	-162.8	161.9	-9.5	38.2	0	0	0	0	113.3
1068	Y	27.1	Very low	30.2	Very low	191 Å²	191	134.9 Å²	134.9	75%	0.749	68%	0.683	S	S	*	*			trans	6.5	152	131.1	-53.6	-90.8	0	0	0	117.5
1069	Q	28.4	Very low	29.5	Very low	158 Å²	158	137.2 Å²	137.2	74%	0.738	69%	0.689	S	S	*	*				-165.4	179.8	59.5	-156.3	162.5	-7.4	0	0	115.9
1070	E	24.1	Very low	28.6	Very low	147 Å²	147	140.3 Å²	140.3	69%	0.687	70%	0.695	S	S	*	*			trans	-44.1	164.4	-174.9	-62.9	156.7	102.1	0	0	119.2
1071	R	26.2	Very low	27.9	Very low	243 Å²	243	142 Å²	142	92%	0.917	70%	0.703	S	S	*	*			trans	-130.2	138.5	154.4	-71.5	-176	177.3	-172.3	-0	109.8
1072	E	25.5	Very low	27.2	Very low	161 Å²	161	143.2 Å²	143.2	75%	0.752	71%	0.706	S	S	*	*			trans	-130.2	125.1	146.7	-82.2	-160.6	150.9	0	0	111.8
1073	I	25.4	Very low	27.2	Very low	121 Å²	121	139.3 Å²	139.3	62%	0.621	70%	0.698	S	S	*	*			trans	46.5	111.2	133.4	-49	169.4	0	0	0	118.7	I1075	I1073-I1075 HydrophobicContact CG2-CG1 3.87Å
1074	P	26.4	Very low	27	Very low	130 Å²	130	143.1 Å²	143.1	84%	0.844	71%	0.707	S	S	*	*			trans	-80.2	126.9	150.5	32.8	-29.5	0	0	0	110.5
1075	I	24.3	Very low	27	Very low	136 Å²	136	147.4 Å²	147.4	70%	0.697	71%	0.708	S	S	*	*			trans	-92.8	122.5	173.5	-61.3	179.8	0	0	0	109.9	I1073 V1077	I1073-I1075 HydrophobicContact CG2-CG1 3.87Å; I1075-V1077 HydrophobicContact CG2-CB 4.37Å; I1075-V1077 HydrophobicContact CG2-CG2 3.69Å
1076	H	25.6	Very low	26.5	Very low	191 Å²	191	152 Å²	152	88%	0.884	71%	0.714	S	S	*	*			trans	-134.4	139	153.9	-143.3	60.3	0	0	0	111.8
1077	V	25.3	Very low	26.2	Very low	90 Å²	90	152 Å²	152	55%	0.545	71%	0.705	S	S	.	*			trans	-157.2	136.9	-155.7	160.5	0	0	0	0	104.5	I1075	I1075-V1077 HydrophobicContact CG2-CB 4.37Å; I1075-V1077 HydrophobicContact CG2-CG2 3.69Å
1078	Q	26.5	Very low	25.9	Very low	158 Å²	158	153.9 Å²	153.9	74%	0.738	71%	0.713	S	S	*	*			cis	-150.4	179.4	30.8	-146.3	143.5	49.4	0	0	113.6
1079	K	25.9	Very low	25.9	Very low	162 Å²	162	151.1 Å²	151.1	70%	0.704	72%	0.716	S	S	*	*			trans	-41.4	177	165.2	-36.5	154.3	-176.8	175.6	0	115.1
1080	E	24.1	Very low	25.8	Very low	142 Å²	142	149.7 Å²	149.7	66%	0.664	71%	0.712	S	S	*	*			cis	-162.8	167.7	40.5	-75.2	-151.2	164.9	0	0	109.7
1081	Q	26	Very low	26	Very low	128 Å²	128	148.8 Å²	148.8	60%	0.598	71%	0.712	S	S	*	*			cis	-164.5	165.2	-13.6	-112.4	-162.9	98.6	0	0	110.9
1082	Q	27.4	Very low	26.2	Very low	131 Å²	131	144.7 Å²	144.7	61%	0.612	71%	0.708	S	S	*	*			trans	63.8	130.4	146	-76.1	-173.1	44.4	0	0	125
1083	Q	27.9	Very low	26.6	Very low	145 Å²	145	144.1 Å²	144.1	68%	0.678	71%	0.709	S	S	*	*			trans	75.2	134.3	133.7	-68.6	-166.7	43.7	0	0	125
1084	H	27.1	Very low	27.5	Very low	158 Å²	158	143.2 Å²	143.2	73%	0.731	71%	0.711	S	S	*	*			trans	68.2	114.1	139.2	-82.2	90.2	0	0	0	124.2
1085	R	26.4	Very low	27.7	Very low	205 Å²	205	145.6 Å²	145.6	77%	0.774	71%	0.71	S	S	*	*				81.9	104.5	116	-163.9	-174	-166.9	-171.9	4.1	122.1
1086	R	25.7	Very low	27.9	Very low	182 Å²	182	144.1 Å²	144.1	69%	0.687	71%	0.712	S	S	*	*			trans	70.7	153.4	139.6	-73.3	175.9	163.4	-134	5.2	121.7
1087	E	24.4	Very low	28.2	Very low	131 Å²	131	140 Å²	140	61%	0.612	70%	0.704	S	S	*	*			trans	54.3	100.4	143.6	-74.3	137.7	-143.6	0	0	117.7
1088	T	24.9	Very low	28.4	Very low	122 Å²	122	140.8 Å²	140.8	75%	0.748	71%	0.714	S	S	*	*				102.2	146.9	64	45.3	0	0	0	0	113.1
1089	V	25.8	Very low	28.5	Very low	132 Å²	132	137.9 Å²	137.9	80%	0.8	71%	0.711	S	S	*	*			trans	73.9	140.5	148.8	152.5	0	0	0	0	115.5
1090	I	27	Very low	28.8	Very low	128 Å²	128	135.4 Å²	135.4	66%	0.656	71%	0.709	S	S	*	*			cis	-158.1	163.8	2.7	-130.7	178.7	0	0	0	111.9
1091	D	28.2	Very low	29.1	Very low	128 Å²	128	136.7 Å²	136.7	68%	0.684	72%	0.715	S	S	*	*			trans	33.6	153.3	152	-47	-26.8	0	0	0	121.9
1092	D	29.6	Very low	29.2	Very low	158 Å²	158	136.2 Å²	136.2	85%	0.845	72%	0.717	S	S	*	*				-160.3	167.1	58.5	-124.9	-34.6	0	0	0	115.7
1093	I	35.7	Very low	29.3	Very low	149 Å²	149	135.7 Å²	135.7	76%	0.764	72%	0.722	S	S	*	*			trans	-132.3	154.3	179.9	-37.4	175.3	0	0	0	109.7
1094	P	43.9	Very low	29.2	Very low	101 Å²	101	133.6 Å²	133.6	66%	0.656	72%	0.724	S	S	*	*			trans	-144.5	133.1	131.1	23	-1.9	0	0	0	117.4
1095	H	30.7	Very low	30.3	Very low	180 Å²	180	131.8 Å²	131.8	83%	0.833	73%	0.726	S	S	*	*			trans	61.3	149.1	139.1	-52	-34.7	0	0	0	121.2
1096	S	28.6	Very low	30.4	Very low	105 Å²	105	128.7 Å²	128.7	73%	0.734	73%	0.73	S	S	*	*			cis	-170.6	-170.1	-19.8	66	0	0	0	0	106.6
1097	S	30.1	Very low	30.5	Very low	104 Å²	104	124.8 Å²	124.8	73%	0.727	73%	0.731	S	S	*	*			cis	-173.9	150.4	-6.9	27.7	0	0	0	0	105.6
1098	S	30.3	Very low	31.3	Very low	107 Å²	107	124.4 Å²	124.4	75%	0.748	74%	0.739	S	S	*	*			cis	-142.6	-147.9	-4.7	51	0	0	0	0	107.5
1099	S	28.1	Very low	31.6	Very low	97 Å²	97	124.1 Å²	124.1	68%	0.678	74%	0.74	S	S	*	*			cis	-147.1	146.9	17.5	-72.7	0	0	0	0	108.8
1100	V	33	Very low	31.6	Very low	110 Å²	110	126.3 Å²	126.3	67%	0.667	74%	0.741	S	S	*	*				53.9	114.3	81.6	-164.6	0	0	0	0	111.7
1101	E	29.9	Very low	31.6	Very low	169 Å²	169	123.9 Å²	123.9	79%	0.79	74%	0.735	S	S	*	*			cis	-155.8	147.9	40	-153.5	136	-145.8	0	0	112.4
1102	N	28.7	Very low	31.5	Very low	118 Å²	118	123.8 Å²	123.8	63%	0.631	73%	0.726	S	S	*	*			cis	-162.9	176.8	-19.5	-129.1	-34.2	0	0	0	111.7
1103	V	28.3	Very low	31.2	Very low	120 Å²	120	125.9 Å²	125.9	73%	0.727	73%	0.727	S	S	*	*			trans	50.9	130.7	143.8	169.7	0	0	0	0	121.4
1104	S	27.1	Very low	30.5	Very low	102 Å²	102	123.9 Å²	123.9	71%	0.713	72%	0.722	S	S	*	*			cis	-164.8	153.5	-16.1	-90.8	0	0	0	0	111.2
1105	P	50.7	Low	29.5	Very low	120 Å²	120	127.3 Å²	127.3	78%	0.779	73%	0.729	S	S	*	*			trans	-107.2	169.8	175.1	40.4	-34.4	0	0	0	114.3
1106	V	27.9	Very low	29.1	Very low	139 Å²	139	128.1 Å²	128.1	84%	0.842	73%	0.73	S	S	*	*			trans	-164.2	141.7	154.8	120.7	0	0	0	0	115.8
1107	S	28.1	Very low	28.8	Very low	101 Å²	101	130.2 Å²	130.2	71%	0.706	73%	0.732	S	S	*	*			trans	22.7	139.3	157	-47.7	0	0	0	0	126.5
1108	P	39.8	Very low	28.5	Very low	122 Å²	122	132 Å²	132	79%	0.792	73%	0.733	S	S	*	*			trans	-99	166.3	150.3	39.4	-32.3	0	0	0	113.1
1109	P	31.6	Very low	28.2	Very low	117 Å²	117	136.2 Å²	136.2	76%	0.76	74%	0.741	S	S	*	*				-155.7	176.4	122.4	40	-22	0	0	0	117.9
1110	E	25.6	Very low	28	Very low	177 Å²	177	137.1 Å²	137.1	83%	0.827	74%	0.742	S	S	*	*			trans	72.5	173.5	153.5	-80.1	174.2	-160.3	0	0	122.2
1111	S	26.8	Very low	27.5	Very low	77 Å²	77	138.6 Å²	138.6	54%	0.538	75%	0.751	S	S	.	*			trans	-164.1	154.8	-138.8	66.1	0	0	0	0	119.7
1112	R	27.1	Very low	27.2	Very low	127 Å²	127	137 Å²	137	48%	0.479	74%	0.744	S	S	.	*			trans	81.2	150.9	140.8	-93	159.8	137	-175.2	-20.3	122.7	S796 N797 A798	S796-R1112 WeakPolarHBondContact O-CD 3.49Å; S796-R1112 WeakPolarHBondContact O-CG 3.3Å; S796-R1112 PolarHBondContact O-NE 3.45Å; S796-R1112 WeakPolarHBondContact OG-CD 3.42Å; N797-R1112 PolarHBondContact O-NE 2.89Å; N797-R1112 PolarHBondContact O-NH2 2.88Å; A798-R1112 PolarHBondContact O-NH2 3.38Å
1113	K	22.7	Very low	26.9	Very low	201 Å²	201	142 Å²	142	87%	0.874	76%	0.756	S	S	*	*			trans	84.7	147.8	177.6	-62.3	-171.1	176.8	-179.1	0	115.4
1114	V	22	Very low	26.6	Very low	107 Å²	107	143.9 Å²	143.9	65%	0.648	76%	0.756	S	S	*	*			cis	-166.3	156.1	-5.2	120.8	0	0	0	0	111.9
1115	Q	22.7	Very low	26.3	Very low	173 Å²	173	144.7 Å²	144.7	81%	0.808	76%	0.757	S	S	*	*			trans	54.6	148.7	163.6	-75.7	157.6	-29	0	0	120.1
1116	F	21.8	Very low	25	Very low	197 Å²	197	145.3 Å²	145.3	86%	0.864	76%	0.761	S	S	*	*			cis	115.8	140.3	10.6	-106.9	-63.6	0	0	0	114.8
1117	I	23	Very low	24.8	Very low	149 Å²	149	144.5 Å²	144.5	76%	0.764	76%	0.757	S	S	*	*			trans	90.7	150.7	158.6	-67.7	165.6	0	0	0	118.8
1118	D	23.8	Very low	24.7	Very low	142 Å²	142	146 Å²	146	76%	0.759	77%	0.767	S	S	*	*			trans	-69.2	176.2	-166.1	-41.8	-95.3	0	0	0	114.7
1119	E	22.8	Very low	24	Very low	195 Å²	195	143.7 Å²	143.7	91%	0.911	77%	0.765	S	S	*	*				-158.2	168	75.7	-99.6	-165.7	146.6	0	0	117.2
1120	V	23.5	Very low	23.7	Very low	117 Å²	117	142.6 Å²	142.6	71%	0.709	77%	0.766	S	S	*	*			trans	-66.3	148.5	-179.2	174.2	0	0	0	0	114.2	Q1122	V1120-Q1122 HydrophobicContact CG1-CG 4.29Å
1121	V	24.3	Very low	23.7	Very low	141 Å²	141	141 Å²	141	86%	0.855	76%	0.763	S	S	*	*			trans	-128	130.3	145.1	-178.7	0	0	0	0	110.7
1122	Q	21.9	Very low	23.6	Very low	136 Å²	136	146.4 Å²	146.4	64%	0.636	78%	0.78	S	S	*	*			trans	-76.6	168.5	-178.3	-57	167.3	-23	0	0	112.8	V1120	V1120-Q1122 HydrophobicContact CG1-CG 4.29Å
1123	Y	22.4	Very low	23.7	Very low	223 Å²	223	144.2 Å²	144.2	88%	0.875	79%	0.788	S	S	*	*				-135.7	165.5	129.8	-99.4	-70.9	0	0	0	110.8
1124	Q	22.3	Very low	23.8	Very low	158 Å²	158	143.4 Å²	143.4	74%	0.738	79%	0.785	S	S	*	*			trans	-101.9	171.1	-150.2	-67.1	166.2	-32.5	0	0	114.5
1125	T	22.3	Very low	24.2	Very low	120 Å²	120	146.4 Å²	146.4	74%	0.736	79%	0.79	S	S	*	*			trans	-68.5	170.5	172.9	50.2	0	0	0	0	113
1126	P	23.6	Very low	24.4	Very low	132 Å²	132	144.5 Å²	144.5	86%	0.857	79%	0.785	S	S	*	*				-120	141.8	128.9	34.6	-32	0	0	0	112.4
1127	T	23.4	Very low	24.6	Very low	123 Å²	123	142.4 Å²	142.4	76%	0.755	78%	0.783	S	S	*	*			trans	-99.8	126.4	177.4	48.6	0	0	0	0	112.3
1128	S	25.9	Very low	24.8	Very low	132 Å²	132	141.5 Å²	141.5	92%	0.923	78%	0.784	S	S	*	*			trans	-171.2	143.9	159.9	-77.2	0	0	0	0	108.4
1129	G	23.7	Very low	25.1	Very low	73 Å²	73	140.2 Å²	140.2	75%	0.753	78%	0.784	S	S	*	*			cis	166.3	138.2	-7.8	0	0	0	0	0	111.6
1130	A	25.5	Very low	25.3	Very low	94 Å²	94	137.8 Å²	137.8	78%	0.777	78%	0.782	S	S	*	*			trans	66.6	124.9	169.7	0	0	0	0	0	120.8
1131	N	26.6	Very low	25.5	Very low	143 Å²	143	140.3 Å²	140.3	77%	0.765	79%	0.791	S	S	*	*			trans	28.8	117.3	135.8	-47	-10	0	0	0	120.9
1132	H	25.1	Very low	25.7	Very low	192 Å²	192	141 Å²	141	89%	0.889	79%	0.79	S	S	*	*				-176	-168.2	100.6	-105.8	-82.1	0	0	0	110.9
1133	A	28.4	Very low	25.8	Very low	80 Å²	80	140 Å²	140	66%	0.661	80%	0.797	S	S	*	*			trans	-142	172.9	-164.3	0	0	0	0	0	114.6
1134	F	25.7	Very low	26.3	Very low	184 Å²	184	135.8 Å²	135.8	81%	0.807	80%	0.797	S	S	*	*			trans	89.4	114.2	171.6	-73.2	-102	0	0	0	120.2
1135	F	28.6	Very low	26.5	Very low	170 Å²	170	131.7 Å²	131.7	75%	0.746	80%	0.797	S	S	*	*			trans	73.5	127.5	138.5	-83.6	-113.6	0	0	0	124.8
1136	D	27.8	Very low	26.6	Very low	134 Å²	134	134.1 Å²	134.1	72%	0.717	80%	0.804	S	S	*	*			trans	69.8	133.1	140	-65.7	3.3	0	0	0	128
1137	D	26.8	Very low	26.8	Very low	152 Å²	152	134.7 Å²	134.7	81%	0.813	81%	0.805	S	S	*	*			trans	98.3	172.2	136.4	-125.3	-27.1	0	0	0	123.5
1138	V	25.5	Very low	27.2	Very low	130 Å²	130	131.9 Å²	131.9	79%	0.788	80%	0.8	S	S	*	*			trans	82.4	149.6	177.9	-98.6	0	0	0	0	119.1
1139	P	31.3	Very low	27.4	Very low	116 Å²	116	132.2 Å²	132.2	75%	0.753	80%	0.797	S	S	*	*				-134.7	-170.4	-106	45.3	-27.8	0	0	0	116.8
1140	V	27	Very low	27.6	Very low	144 Å²	144	134 Å²	134	87%	0.873	79%	0.789	S	S	*	*			trans	-110.4	159.1	175.2	179.2	0	0	0	0	111.3
1141	L	27.7	Very low	27.9	Very low	170 Å²	170	138.5 Å²	138.5	89%	0.89	79%	0.794	S	S	*	*			trans	-134.6	137.4	-172.3	-129.4	160.2	0	0	0	112.3
1142	D	27.5	Very low	28.2	Very low	156 Å²	156	138.7 Å²	138.7	83%	0.834	79%	0.794	S	S	*	*			trans	-99.2	177.2	-165.8	-108.8	-38	0	0	0	115.9
1143	S	25.6	Very low	28.2	Very low	113 Å²	113	139.8 Å²	139.8	79%	0.79	79%	0.791	S	S	*	*			trans	-144.3	148.4	177.8	-68.8	0	0	0	0	114.4
1144	P	31.3	Very low	28.5	Very low	135 Å²	135	146.1 Å²	146.1	88%	0.877	80%	0.798	S	S	*	*			trans	-97.4	167.7	-170.3	38.1	-37.1	0	0	0	116.1
1145	G	26.9	Very low	29	Very low	72 Å²	72	140.8 Å²	140.8	74%	0.742	78%	0.778	S	S	*	*			trans	-140.6	174.2	178.9	0	0	0	0	0	115.1
1146	I	25.3	Very low	29.3	Very low	171 Å²	171	137.6 Å²	137.6	88%	0.877	78%	0.775	S	S	*	*			trans	-138.1	151.9	-164.8	-63	176.3	0	0	0	112.7
1147	V	27.1	Very low	29.7	Very low	144 Å²	144	139.6 Å²	139.6	87%	0.873	77%	0.772	S	S	*	*			trans	-147	152.6	178.1	179.4	0	0	0	0	108.3
1148	G	31.7	Very low	30.3	Very low	64 Å²	64	138.9 Å²	138.9	66%	0.66	76%	0.764	S	S	*	*			cis	147.7	151.9	-0.4	0	0	0	0	0	111
1149	T	29.9	Very low	31.2	Very low	139 Å²	139	141 Å²	141	85%	0.853	76%	0.758	S	S	*	*			trans	-142.9	146.9	-167.5	49.5	0	0	0	0	116.4
1150	N	28.2	Very low	31.5	Very low	111 Å²	111	143.9 Å²	143.9	59%	0.594	75%	0.754	S	S	*	*			trans	-176.2	151.5	155.7	-107.5	-45.8	0	0	0	111.7	S860	S860-N1150 PolarHBondContact OG-ND2 3.33Å
1151	E	32.4	Very low	32.1	Very low	189 Å²	189	142.1 Å²	142.1	88%	0.883	74%	0.739	S	S	*	*			trans	-130.3	154.2	175.2	-68.1	-173.5	168.3	0	0	111.7
1152	I	31.4	Very low	32.9	Very low	146 Å²	146	138 Å²	138	75%	0.749	72%	0.717	S	S	*	*			trans	-143.9	135	178.6	-61.9	-177.6	0	0	0	112.7
1153	Y	27.1	Very low	33.6	Very low	215 Å²	215	135 Å²	135	84%	0.843	70%	0.698	S	S	*	*			trans	-90.2	154.4	174.9	-171.8	-95.7	0	0	0	112.7
1154	R	34.5	Very low	34.4	Very low	214 Å²	214	134.3 Å²	134.3	81%	0.808	69%	0.685	S	S	*	*			trans	-131.2	143.6	-176	-72.3	-175.5	173.3	178.4	-0.9	114.5
1155	D	35.6	Very low	35	Very low	72 Å²	72	133.1 Å²	133.1	39%	0.385	67%	0.668	S	S	.	*			trans	-81.6	132.2	179.7	-172.4	-59.6	0	0	0	112.5	R1157	D1155-R1157 PolarHBondContact O-N 3.29Å; D1155-R1157 VanDerWaalsContact OD1-CB 3.28Å; D1155-R1157 WeakPolarHBondContact OD1-CB 3.47Å; D1155-R1157 WeakPolarHBondContact OD1-CG 3.46Å; D1155-R1157 IonicContact OD1-CZ 2.74Å; D1155-R1157 PolarHBondContact OD1-N 3.28Å; D1155-R1157 IonicContact OD1-NE 2.87Å; D1155-R1157 PolarHBondContact OD1-NE 2.94Å; D1155-R1157 IonicContact OD1-NH2 3.8Å; D1155-R1157 IonicContact OD2-CZ 3.34Å; D1155-R1157 IonicContact OD2-NE 2.69Å; D1155-R1157 PolarHBondContact OD2-NE 3.02Å; D1155-R1157 IonicContact OD2-NH2 3.86Å; D1155-R1157 PolarHBondContact OD2-NH2 3.06Å
1156	P	34.3	Very low	35.6	Very low	103 Å²	103	133.9 Å²	133.9	67%	0.669	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	-11.9	-176.3	27.6	-35.9	0	0	0	115.4
1157	R	36.6	Very low	36.3	Very low	176 Å²	176	134.4 Å²	134.4	66%	0.664	65%	0.646	S	S	*	*	H	α-helix	trans	-73.2	-29.9	-179.7	-71.6	169.9	-78.1	-165.7	-4.8	113.3	D1155 R1159 R1160	D1155-R1157 PolarHBondContact O-N 3.29Å; D1155-R1157 VanDerWaalsContact OD1-CB 3.28Å; D1155-R1157 WeakPolarHBondContact OD1-CB 3.47Å; D1155-R1157 WeakPolarHBondContact OD1-CG 3.46Å; D1155-R1157 IonicContact OD1-CZ 2.74Å; D1155-R1157 PolarHBondContact OD1-N 3.28Å; D1155-R1157 IonicContact OD1-NE 2.87Å; D1155-R1157 PolarHBondContact OD1-NE 2.94Å; D1155-R1157 IonicContact OD1-NH2 3.8Å; D1155-R1157 IonicContact OD2-CZ 3.34Å; D1155-R1157 IonicContact OD2-NE 2.69Å; D1155-R1157 PolarHBondContact OD2-NE 3.02Å; D1155-R1157 IonicContact OD2-NH2 3.86Å; D1155-R1157 PolarHBondContact OD2-NH2 3.06Å; R1157-R1159 PolarHBondContact O-N 3.06Å; R1157-R1160 PolarHBondContact O-N 2.89Å; R1157-R1160 VanDerWaalsContact O-N 3.16Å
1158	Q	40.4	Very low	36.9	Very low	136 Å²	136	133.5 Å²	133.5	64%	0.636	64%	0.637	S	S	*	*	H	α-helix	trans	-65.2	-28.2	-178.9	-160.7	165.7	9.2	0	0	112.3	R1160 L1161 N1162	Q1158-R1160 PolarHBondContact O-N 3.39Å; Q1158-L1161 PolarHBondContact O-N 2.93Å; Q1158-N1162 PolarHBondContact O-N 2.75Å
1159	R	43.5	Very low	37.3	Very low	175 Å²	175	138.9 Å²	138.9	66%	0.66	64%	0.637	S	S	*	*	H	α-helix	trans	-59.5	-42.8	173.1	179.2	178.6	174.6	154.2	4.2	113.1	R1157 L1161 N1162 E1163	R1157-R1159 PolarHBondContact O-N 3.06Å; R1159-L1161 PolarHBondContact O-N 3.16Å; R1159-N1162 PolarHBondContact O-N 3.04Å; R1159-E1163 HydrophobicContact CG-CG 4.47Å; R1159-E1163 WeakPolarHBondContact CG-OE1 3.41Å; R1159-E1163 IonicContact CZ-OE1 2.8Å; R1159-E1163 IonicContact NE-OE1 3.42Å; R1159-E1163 PolarHBondContact NE-OE1 2.79Å; R1159-E1163 IonicContact NH2-OE1 3.65Å; R1159-E1163 WeakPolarHBondContact O-CG 3.48Å; R1159-E1163 PolarHBondContact O-N 2.93Å
1160	R	37.4	Very low	37.7	Very low	177 Å²	177	136.8 Å²	136.8	67%	0.668	63%	0.628	S	S	*	*	H	α-helix	trans	-69.8	-22.5	-175	-147.1	-173.4	-62.6	168.3	-0.6	112.8	R1157 Q1158	R1157-R1160 PolarHBondContact O-N 2.89Å; R1157-R1160 VanDerWaalsContact O-N 3.16Å; Q1158-R1160 PolarHBondContact O-N 3.39Å
1161	L	40.9	Very low	38.4	Very low	106 Å²	106	136 Å²	136	56%	0.555	63%	0.631	S	S	*	*	H	α-helix	trans	-76.4	-39.5	173.6	-171.8	64.6	0	0	0	111.5	Q1158 R1159 L1164 Q1165	Q1158-L1161 PolarHBondContact O-N 2.93Å; R1159-L1161 PolarHBondContact O-N 3.16Å; L1161-L1164 PolarHBondContact O-N 2.86Å; L1161-Q1165 PolarHBondContact O-N 2.82Å
1162	N	43.5	Very low	38.8	Very low	83 Å²	83	134.7 Å²	134.7	44%	0.444	63%	0.625	S	S	.	*	H	α-helix	trans	-67.8	-40.8	174.9	-68.5	14.5	0	0	0	111.4	Q1158 R1159 L1164 Q1165 D1166	Q1158-N1162 PolarHBondContact O-N 2.75Å; R1159-N1162 PolarHBondContact O-N 3.04Å; N1162-L1164 PolarHBondContact O-N 3.42Å; N1162-L1164 VanDerWaalsContact O-N 3.11Å; N1162-Q1165 WeakPolarHBondContact O-CA 3.47Å; N1162-Q1165 PolarHBondContact O-N 2.95Å; N1162-D1166 PolarHBondContact O-N 3.42Å
1163	E	43.2	Very low	39.2	Very low	94 Å²	94	135.5 Å²	135.5	44%	0.439	63%	0.631	S	S	.	*	H	α-helix	trans	-57.5	-25.7	175.1	-73.3	166.6	174.3	0	0	112.9	R1159	R1159-E1163 HydrophobicContact CG-CG 4.47Å; R1159-E1163 WeakPolarHBondContact CG-OE1 3.41Å; R1159-E1163 IonicContact CZ-OE1 2.8Å; R1159-E1163 IonicContact NE-OE1 3.42Å; R1159-E1163 PolarHBondContact NE-OE1 2.79Å; R1159-E1163 IonicContact NH2-OE1 3.65Å; R1159-E1163 WeakPolarHBondContact O-CG 3.48Å; R1159-E1163 PolarHBondContact O-N 2.93Å
1164	L	42	Very low	39.6	Very low	99 Å²	99	129 Å²	129	52%	0.518	63%	0.629	S	S	.	*	H	α-helix	trans	-81.7	-28.5	171.5	-78.4	166.2	0	0	0	113.9	L1161 N1162	L1161-L1164 PolarHBondContact O-N 2.86Å; N1162-L1164 PolarHBondContact O-N 3.42Å; N1162-L1164 VanDerWaalsContact O-N 3.11Å
1165	Q	43.8	Very low	39.7	Very low	110 Å²	110	123.8 Å²	123.8	51%	0.514	63%	0.632	S	S	.	*	H	α-helix	trans	-78.5	-41.6	175.8	-68	-173.7	-3.2	0	0	111.9	L1161 N1162 R1167 N1168 R1169	L1161-Q1165 PolarHBondContact O-N 2.82Å; N1162-Q1165 WeakPolarHBondContact O-CA 3.47Å; N1162-Q1165 PolarHBondContact O-N 2.95Å; Q1165-R1167 VanDerWaalsContact C-N 3.27Å; Q1165-R1167 PolarHBondContact O-N 3.09Å; Q1165-N1168 WeakPolarHBondContact O-CB 3.35Å; Q1165-N1168 PolarHBondContact O-N 3.09Å; Q1165-R1169 PolarHBondContact O-N 2.76Å
1166	D	39.3	Very low	39.9	Very low	88 Å²	88	125.4 Å²	125.4	47%	0.471	66%	0.656	S	S	.	*	H	α-helix	trans	-66	-31.3	179.4	-69.9	-35.4	0	0	0	111.9	N1162 N1168 R1169 S1170	N1162-D1166 PolarHBondContact O-N 3.42Å; D1166-N1168 PolarHBondContact O-N 3.37Å; D1166-R1169 PolarHBondContact O-N 2.94Å; D1166-S1170 PolarHBondContact O-N 2.95Å; D1166-S1170 PolarHBondContact O-OG 3.02Å
1167	R	40.4	Very low	40.2	Very low	182 Å²	182	126 Å²	126	69%	0.687	65%	0.653	S	S	*	*	H	α-helix	trans	-66.4	-16	173.6	-152.1	173.3	75.5	-178	3.9	114.1	Q1165 S1170	Q1165-R1167 VanDerWaalsContact C-N 3.27Å; Q1165-R1167 PolarHBondContact O-N 3.09Å; R1167-S1170 PolarHBondContact O-OG 3.21Å
1168	N	39.8	Very low	40.7	Very low	125 Å²	125	119.8 Å²	119.8	67%	0.668	64%	0.644	S	S	*	*	H	α-helix	trans	-94.3	-14.3	169.1	-74.4	-8.9	0	0	0	113	Q1165 D1166 S1171	Q1165-N1168 WeakPolarHBondContact O-CB 3.35Å; Q1165-N1168 PolarHBondContact O-N 3.09Å; D1166-N1168 PolarHBondContact O-N 3.37Å; N1168-S1171 PolarHBondContact O-OG 3.39Å; N1168-S1171 VanDerWaalsContact O-OG 3.07Å
1169	R	39.4	Very low	41.2	Very low	177 Å²	177	116.8 Å²	116.8	67%	0.668	64%	0.643	S	S	*	*	H	α-helix	trans	-91	-27.1	176.4	-73.8	178	157.9	-178.5	-7.2	112.9	Q1165 D1166 S1171 E1172	Q1165-R1169 PolarHBondContact O-N 2.76Å; D1166-R1169 PolarHBondContact O-N 2.94Å; R1169-S1171 PolarHBondContact O-N 3.46Å; R1169-E1172 PolarHBondContact O-N 2.92Å
1170	S	38.5	Very low	41.5	Very low	94 Å²	94	117.3 Å²	117.3	66%	0.657	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	1.4	177.9	51.1	0	0	0	0	115.3	D1166 R1167	D1166-S1170 PolarHBondContact O-N 2.95Å; D1166-S1170 PolarHBondContact O-OG 3.02Å; R1167-S1170 PolarHBondContact O-OG 3.21Å
1171	S	41.4	Very low	42	Very low	96 Å²	96	112.5 Å²	112.5	67%	0.671	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	-6.7	176.9	34.2	0	0	0	0	115.4	N1168 R1169	N1168-S1171 PolarHBondContact O-OG 3.39Å; N1168-S1171 VanDerWaalsContact O-OG 3.07Å; R1169-S1171 PolarHBondContact O-N 3.46Å
1172	E	42.4	Very low	43.2	Very low	160 Å²	160	109.3 Å²	109.3	75%	0.748	63%	0.629	S	S	*	*	S	Bend	trans	-107.3	-3.7	-171.6	-66.5	-165.8	130.8	0	0	116.2	R1169	R1169-E1172 PolarHBondContact O-N 2.92Å
1173	N	39.3	Very low	43.1	Very low	163 Å²	163	113.4 Å²	113.4	87%	0.872	64%	0.644	S	S	*	*	S	Bend	trans	-138.8	100	177	-84.3	-68.6	0	0	0	112.8
1174	G	34.9	Very low	43.5	Very low	79 Å²	79	117.7 Å²	117.7	81%	0.814	66%	0.656	S	S	*	*			trans	-177.9	138.2	174.1	0	0	0	0	0	111.4
1175	A	36.9	Very low	44	Very low	104 Å²	104	116.7 Å²	116.7	86%	0.86	65%	0.651	S	S	*	*			trans	-83.2	133.3	-171.6	0	0	0	0	0	113.6
1176	A	40	Very low	44.8	Very low	107 Å²	107	115.2 Å²	115.2	88%	0.884	64%	0.643	S	S	*	*			trans	35.1	88.7	155.4	0	0	0	0	0	119.4
1177	D	40.4	Very low	45.4	Very low	114 Å²	114	116.9 Å²	116.9	61%	0.61	65%	0.648	S	S	*	*			trans	-119	115.6	139.3	176.3	5.9	0	0	0	108.8	A1179	D1177-A1179 PolarHBondContact O-N 3.17Å; D1177-A1179 WeakPolarHBondContact OD1-CB 3.19Å; D1177-A1179 PolarHBondContact OD1-N 3.32Å
1178	G	46.5	Very low	46.1	Very low	47 Å²	47	116.1 Å²	116.1	49%	0.485	65%	0.645	S	S	.	*	G	3₁₀ helix	trans	-68.9	-15.4	-174.7	0	0	0	0	0	114.7	K1180	G1178-K1180 PolarHBondContact O-N 2.7Å
1179	A	51.7	Low	46.9	Very low	73 Å²	73	115.2 Å²	115.2	60%	0.603	64%	0.639	S	S	*	*	G	3₁₀ helix	trans	-58.8	-33.8	-176.1	0	0	0	0	0	113.2	D1177	D1177-A1179 PolarHBondContact O-N 3.17Å; D1177-A1179 WeakPolarHBondContact OD1-CB 3.19Å; D1177-A1179 PolarHBondContact OD1-N 3.32Å
1180	K	49.4	Very low	47.3	Very low	186 Å²	186	113 Å²	113	81%	0.809	64%	0.635	S	S	*	*	G	3₁₀ helix	trans	-104.7	3.2	-168.1	-68.2	177	-179.2	168.8	0	116.1	G1178	G1178-K1180 PolarHBondContact O-N 2.7Å
1181	L	48	Very low	47.9	Very low	75 Å²	75	110.7 Å²	110.7	39%	0.393	62%	0.622	S	S	.	*			trans	-67.7	139.7	179.5	-73.4	170.1	0	0	0	113	K1186	L1181-K1186 HydrophobicContact CB-CD 4.33Å; L1181-K1186 HydrophobicContact CB-CG 3.89Å; L1181-K1186 WeakPolarHBondContact O-CD 3.47Å; L1181-K1186 VanDerWaalsContact O-CE 3.24Å; L1181-K1186 WeakPolarHBondContact O-CE 3.45Å; L1181-K1186 PolarHBondContact O-NZ 3.07Å
1182	G	66.3	Low	48.4	Very low	39 Å²	39	116.8 Å²	116.8	40%	0.402	63%	0.63	S	S	.	*			trans	-71.8	161	175.9	0	0	0	0	0	113.5	R1184 D1185 K1186	G1182-R1184 PolarHBondContact O-N 3.09Å; G1182-D1185 PolarHBondContact O-N 2.84Å; G1182-K1186 PolarHBondContact O-N 3.42Å
1183	F	42.2	Very low	48.5	Very low	169 Å²	169	116.6 Å²	116.6	74%	0.741	63%	0.629	S	S	*	*	H	α-helix	trans	-54.9	-46.3	-174.3	-178.3	-95	0	0	0	113.3	D1185 K1186 Q1187	F1183-D1185 VanDerWaalsContact C-N 3.31Å; F1183-D1185 PolarHBondContact O-N 3Å; F1183-K1186 PolarHBondContact O-N 2.97Å; F1183-Q1187 WeakPolarHBondContact O-CB 3.36Å; F1183-Q1187 PolarHBondContact O-N 2.86Å
1184	R	50.3	Low	48.8	Very low	185 Å²	185	115 Å²	115	70%	0.698	62%	0.619	S	S	*	*	H	α-helix	trans	-66.3	-30.3	-176.5	-169.7	173.8	178.5	-177.4	-2.5	113.3	G1182 R1188	G1182-R1184 PolarHBondContact O-N 3.09Å; R1184-R1188 PolarHBondContact O-N 3.33Å
1185	D	53.9	Low	49.3	Very low	77 Å²	77	114 Å²	114	41%	0.412	61%	0.609	S	S	.	*	H	α-helix	trans	-89.1	-33.9	-179.8	-55.1	-61.5	0	0	0	111.6	G1182 F1183 Q1187 R1188 L1189	G1182-D1185 PolarHBondContact O-N 2.84Å; F1183-D1185 VanDerWaalsContact C-N 3.31Å; F1183-D1185 PolarHBondContact O-N 3Å; D1185-Q1187 VanDerWaalsContact C-N 3.29Å; D1185-Q1187 PolarHBondContact O-N 3.23Å; D1185-R1188 PolarHBondContact O-N 2.83Å; D1185-R1188 IonicContact OD1-NH1 3.88Å; D1185-L1189 PolarHBondContact O-N 2.86Å
1186	K	59.3	Low	49.6	Very low	80 Å²	80	116.3 Å²	116.3	35%	0.348	60%	0.602	S	S	.	*	H	α-helix	trans	-55.8	-44.4	163.5	-80.5	170.7	168.2	147.4	0	111.1	L1181 G1182 F1183 R1188 L1189 F1190	L1181-K1186 HydrophobicContact CB-CD 4.33Å; L1181-K1186 HydrophobicContact CB-CG 3.89Å; L1181-K1186 WeakPolarHBondContact O-CD 3.47Å; L1181-K1186 VanDerWaalsContact O-CE 3.24Å; L1181-K1186 WeakPolarHBondContact O-CE 3.45Å; L1181-K1186 PolarHBondContact O-NZ 3.07Å; G1182-K1186 PolarHBondContact O-N 3.42Å; F1183-K1186 PolarHBondContact O-N 2.97Å; K1186-R1188 VanDerWaalsContact C-N 3.33Å; K1186-R1188 PolarHBondContact O-N 2.95Å; K1186-L1189 WeakPolarHBondContact O-CB 3.22Å; K1186-L1189 PolarHBondContact O-N 3.26Å; K1186-L1189 VanDerWaalsContact O-N 3.12Å; K1186-F1190 WeakPolarHBondContact O-CD2 3.45Å; K1186-F1190 PolarHBondContact O-N 3.42Å
1187	Q	51.6	Low	50	Low	122 Å²	122	118.6 Å²	118.6	57%	0.57	60%	0.599	S	S	*	*	H	α-helix	trans	-62.2	-37	178.3	-162.5	173.4	19.1	0	0	112.8	F1183 D1185 A1191	F1183-Q1187 WeakPolarHBondContact O-CB 3.36Å; F1183-Q1187 PolarHBondContact O-N 2.86Å; D1185-Q1187 VanDerWaalsContact C-N 3.29Å; D1185-Q1187 PolarHBondContact O-N 3.23Å; Q1187-A1191 PolarHBondContact O-N 3.47Å
1188	R	56.3	Low	50.2	Low	166 Å²	166	119.2 Å²	119.2	63%	0.626	61%	0.607	S	S	*	*	H	α-helix	trans	-68.9	-36.5	172	-77.4	172	157.8	178	-10.2	113.2	R1184 D1185 K1186 R1192	R1184-R1188 PolarHBondContact O-N 3.33Å; D1185-R1188 PolarHBondContact O-N 2.83Å; D1185-R1188 IonicContact OD1-NH1 3.88Å; K1186-R1188 VanDerWaalsContact C-N 3.33Å; K1186-R1188 PolarHBondContact O-N 2.95Å; R1188-R1192 PolarHBondContact O-N 3.35Å
1189	L	56.1	Low	49.7	Very low	106 Å²	106	121.5 Å²	121.5	56%	0.555	62%	0.622	S	S	*	*	H	α-helix	trans	-64.9	-44.9	177	-147.5	87.6	0	0	0	111.1	D1185 K1186 R1192 Q1193	D1185-L1189 PolarHBondContact O-N 2.86Å; K1186-L1189 WeakPolarHBondContact O-CB 3.22Å; K1186-L1189 PolarHBondContact O-N 3.26Å; K1186-L1189 VanDerWaalsContact O-N 3.12Å; L1189-R1192 PolarHBondContact O-N 3.47Å; L1189-Q1193 PolarHBondContact O-N 3.34Å
1190	F	46.8	Very low	48.8	Very low	131 Å²	131	124 Å²	124	58%	0.575	63%	0.632	S	S	*	*	H	α-helix	trans	-62.7	-42.8	177.1	-86.8	-71.6	0	0	0	113.1	K1186 R1192 Q1193 I1194	K1186-F1190 WeakPolarHBondContact O-CD2 3.45Å; K1186-F1190 PolarHBondContact O-N 3.42Å; F1190-R1192 VanDerWaalsContact C-N 3.28Å; F1190-R1192 PolarHBondContact O-N 2.95Å; F1190-Q1193 PolarHBondContact O-N 2.74Å; F1190-I1194 WeakPolarHBondContact O-CG1 3.42Å; F1190-I1194 PolarHBondContact O-N 3.38Å
1191	A	51.8	Low	48.2	Very low	46 Å²	46	126.6 Å²	126.6	38%	0.38	64%	0.637	S	S	.	*	H	α-helix	trans	-56.5	-42.8	177.5	0	0	0	0	0	112.2	Q1187 Q1193 I1194	Q1187-A1191 PolarHBondContact O-N 3.47Å; A1191-Q1193 PolarHBondContact O-N 2.91Å; A1191-I1194 PolarHBondContact O-N 2.92Å
1192	R	52.7	Low	47.4	Very low	224 Å²	224	132.2 Å²	132.2	85%	0.845	66%	0.661	S	S	*	*	H	α-helix	trans	-64.5	-20.7	175.1	-106.4	-177	173.8	174.1	-1.9	114.7	R1188 L1189 F1190	R1188-R1192 PolarHBondContact O-N 3.35Å; L1189-R1192 PolarHBondContact O-N 3.47Å; F1190-R1192 VanDerWaalsContact C-N 3.28Å; F1190-R1192 PolarHBondContact O-N 2.95Å
1193	Q	44.3	Very low	45.8	Very low	155 Å²	155	141.5 Å²	141.5	72%	0.724	68%	0.684	S	S	*	*	H	α-helix	trans	-96.2	-7.8	-176.8	-159.8	165.7	7	0	0	113.1	L1189 F1190 A1191	L1189-Q1193 PolarHBondContact O-N 3.34Å; F1190-Q1193 PolarHBondContact O-N 2.74Å; A1191-Q1193 PolarHBondContact O-N 2.91Å
1194	I	45.9	Very low	45.4	Very low	129 Å²	129	140 Å²	140	66%	0.662	68%	0.68	S	S	*	*	H	α-helix	trans	-97.8	-15.7	179	-64.9	164.1	0	0	0	111.9	F1190 A1191	F1190-I1194 WeakPolarHBondContact O-CG1 3.42Å; F1190-I1194 PolarHBondContact O-N 3.38Å; A1191-I1194 PolarHBondContact O-N 2.92Å
1195	G	44.4	Very low	44.6	Very low	59 Å²	59	138 Å²	138	61%	0.608	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	92.6	12.4	173.8	0	0	0	0	0	115.7	D1197	G1195-D1197 PolarHBondContact O-N 3.25Å; G1195-D1197 VanDerWaalsContact O-N 3.09Å
1196	E	43.4	Very low	43.8	Very low	153 Å²	153	139.3 Å²	139.3	72%	0.715	69%	0.687	S	S	*	*			trans	-79.3	82.4	171.3	-71.8	-168.1	128.1	0	0	111.5	T1198	E1196-T1198 PolarHBondContact O-N 3.38Å
1197	D	48.1	Very low	43	Very low	154 Å²	154	140.1 Å²	140.1	82%	0.824	70%	0.703	S	S	*	*			trans	-73.7	60	171	-89.5	-38.4	0	0	0	112.2	G1195	G1195-D1197 PolarHBondContact O-N 3.25Å; G1195-D1197 VanDerWaalsContact O-N 3.09Å
1198	T	45.6	Very low	42.5	Very low	127 Å²	127	139.5 Å²	139.5	78%	0.779	71%	0.713	S	S	*	*			trans	-157.6	92.6	161.1	3.3	0	0	0	0	113	E1196	E1196-T1198 PolarHBondContact O-N 3.38Å
1199	A	34.9	Very low	41.8	Very low	95 Å²	95	135.5 Å²	135.5	79%	0.785	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-75.9	132.2	157.5	0	0	0	0	0	109.5
1200	P	34.5	Very low	41.1	Very low	126 Å²	126	137.7 Å²	137.7	82%	0.818	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-74.2	144.6	-168.1	27.5	-35.3	0	0	0	114.2
1201	R	35.2	Very low	41.1	Very low	241 Å²	241	137.7 Å²	137.7	91%	0.909	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-73.4	124.5	176	-71.3	174.6	166.5	175.1	-6.2	112.4
1202	Q	32.5	Very low	40.6	Very low	192 Å²	192	142.1 Å²	142.1	90%	0.897	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-97.6	119.3	146.3	-67.2	177.1	-28.3	0	0	105.8
1203	R	31.8	Very low	40.3	Very low	235 Å²	235	137.2 Å²	137.2	89%	0.887	72%	0.724	S	S	*	*				65.4	121	51.8	-69.6	-160.2	173.6	-156.3	-0.8	113.7
1204	M	34	Very low	40.2	Very low	136 Å²	136	137.3 Å²	137.3	67%	0.67	73%	0.725	S	S	*	*			trans	-69.9	153.3	171.7	-80	159	46.8	0	0	112.6	E1206	M1204-E1206 HydrophobicContact CE-CG 4.27Å
1205	N	33.9	Very low	39.9	Very low	145 Å²	145	135.7 Å²	135.7	78%	0.775	72%	0.721	S	S	*	*			trans	-109	125.1	137.4	-62.7	-38.6	0	0	0	104.2
1206	E	36.8	Very low	39.7	Very low	103 Å²	103	139.8 Å²	139.8	48%	0.481	73%	0.729	S	S	.	*			cis	59.1	109.7	31.3	-69.6	172.3	-114.7	0	0	113.8	M1204 R1211	M1204-E1206 HydrophobicContact CE-CG 4.27Å; E1206-R1211 IonicContact OE1-NH2 3.99Å; E1206-R1211 PolarHBondContact OE1-NH2 2.9Å; E1206-R1211 VanDerWaalsContact OE1-NH2 3.13Å; E1206-R1211 IonicContact OE2-CZ 2.75Å; E1206-R1211 IonicContact OE2-NE 3.12Å; E1206-R1211 PolarHBondContact OE2-NE 2.93Å; E1206-R1211 IonicContact OE2-NH2 3.13Å; E1206-R1211 PolarHBondContact OE2-NH2 2.74Å
1207	S	41.9	Very low	39.7	Very low	97 Å²	97	139.3 Å²	139.3	68%	0.678	73%	0.73	S	S	*	*			trans	-79	138.8	176.3	-58.5	0	0	0	0	111.1	A1209 Q1210	S1207-A1209 PolarHBondContact O-N 2.69Å; S1207-Q1210 PolarHBondContact O-N 3.44Å
1208	S	41	Very low	39.3	Very low	110 Å²	110	136.3 Å²	136.3	77%	0.769	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.3	3.8	-171.4	-49.4	0	0	0	0	117
1209	A	41.8	Very low	38.7	Very low	81 Å²	81	134.4 Å²	134.4	67%	0.669	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	-27.5	177.8	0	0	0	0	0	113.8	S1207	S1207-A1209 PolarHBondContact O-N 2.69Å
1210	Q	42.5	Very low	38.7	Very low	152 Å²	152	136.3 Å²	136.3	71%	0.71	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	-27.8	-176.9	-100	168.7	-44.7	0	0	114	S1207 L1212	S1207-Q1210 PolarHBondContact O-N 3.44Å; Q1210-L1212 PolarHBondContact O-N 3.42Å; Q1210-L1212 VanDerWaalsContact O-N 3.12Å
1211	R	45.5	Very low	39.2	Very low	131 Å²	131	136.2 Å²	136.2	49%	0.494	73%	0.725	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.6	3.2	-179.1	-72.7	-170.1	-179.2	160.2	3.2	115.7	E1206	E1206-R1211 IonicContact OE1-NH2 3.99Å; E1206-R1211 PolarHBondContact OE1-NH2 2.9Å; E1206-R1211 VanDerWaalsContact OE1-NH2 3.13Å; E1206-R1211 IonicContact OE2-CZ 2.75Å; E1206-R1211 IonicContact OE2-NE 3.12Å; E1206-R1211 PolarHBondContact OE2-NE 2.93Å; E1206-R1211 IonicContact OE2-NH2 3.13Å; E1206-R1211 PolarHBondContact OE2-NH2 2.74Å
1212	L	40.8	Very low	39.4	Very low	140 Å²	140	133.9 Å²	133.9	73%	0.733	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.4	10.2	-178.4	-91.7	168.4	0	0	0	114.4	Q1210	Q1210-L1212 PolarHBondContact O-N 3.42Å; Q1210-L1212 VanDerWaalsContact O-N 3.12Å
1213	I	47.8	Very low	39.9	Very low	120 Å²	120	133.8 Å²	133.8	62%	0.615	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.6	-32.8	174	-62.2	179.2	0	0	0	111.3	T1215	I1213-T1215 PolarHBondContact O-N 3.01Å
1214	E	41.8	Very low	40.3	Very low	158 Å²	158	131.5 Å²	131.5	74%	0.738	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.4	-10.2	-175.4	-64	-171.8	144.3	0	0	115.1
1215	T	40.3	Very low	40.6	Very low	95 Å²	95	131.3 Å²	131.3	58%	0.583	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	-20.5	179.5	51.1	0	0	0	0	114.8	I1213	I1213-T1215 PolarHBondContact O-N 3.01Å
1216	D	39.6	Very low	41	Very low	145 Å²	145	130.6 Å²	130.6	78%	0.775	74%	0.738	S	S	*	*	S	Bend	trans	-99.2	1.4	-167.6	-82.4	21.4	0	0	0	114.4
1217	I	44.3	Very low	41.2	Very low	142 Å²	142	132.1 Å²	132.1	73%	0.728	75%	0.753	S	S	*	*	S	Bend	trans	-110.1	-14.6	-175.4	-65.2	-179.9	0	0	0	113.4
1218	A	38.1	Very low	41.2	Very low	92 Å²	92	134.2 Å²	134.2	76%	0.76	76%	0.757	S	S	*	*	S	Bend	trans	-122	37.1	-165	0	0	0	0	0	116.1
1219	A	32.8	Very low	41.2	Very low	87 Å²	87	135.7 Å²	135.7	72%	0.719	76%	0.756	S	S	*	*			trans	-147.5	42.9	179.6	0	0	0	0	0	116.1	P1221	A1219-P1221 WeakPolarHBondContact O-CD 2.96Å
1220	T	35.2	Very low	41.1	Very low	134 Å²	134	139.3 Å²	139.3	82%	0.822	76%	0.762	S	S	*	*			trans	-108.8	100.5	167.4	37.5	0	0	0	0	111.9
1221	P	45.5	Very low	41	Very low	124 Å²	124	138.4 Å²	138.4	81%	0.805	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-66.4	150.2	166.9	-16.8	31.3	0	0	0	111.2	A1219	A1219-P1221 WeakPolarHBondContact O-CD 2.96Å
1222	Q	39.1	Very low	40.7	Very low	192 Å²	192	139 Å²	139	90%	0.897	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-76.4	151.3	171	-70.4	-177.2	-18.2	0	0	111.7
1223	K	42.5	Very low	40.7	Very low	190 Å²	190	138.9 Å²	138.9	83%	0.826	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-58	165	170.2	-85.7	-170.7	173	-177.4	0	112.8
1224	P	41.1	Very low	40	Very low	188 Å²	188	140.6 Å²	140.6	100%	1.221	81%	0.807	S	S	*	*			cis	-72.7	0	18.5	28.4	-35.7	0	0	0	116.2

Retrieved 1,224 of 1,224 residues in 435 ms (Link to these results)

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