A0A5K4F4X7_SCHMA Loading...

SANT domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F4X7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 801 aa.

						>A0A5K4F4X7_SCHMA|A0A5K4F4X7
MFSKLSKCCYCLEKISGFCIVCVECSVIKICVKCFSCGVEGGKHKKIHKYIIKRSEDDNPADNQWLLSEELKLLDALDTYGYGNWDEISAQLQSHSSMDCRDHYNKFYMSGTMKELMCSPCSSPFVKEHTYPNKIPDSEVENNLSCDLRLDHQKLLGYLPYRDEFEIEYLNSAEEVLNSVYTTSNCDELDKAFYLALMGIYNQYIQERHFRHRLARSHNLVTHLMRDLIRKQSKQKLSNYISRPGVIKRGCYTKRSSHGSVSRIKKVSRRLCYSDSCRKRETAYSPKLKNRVYRISDFNFNSNAMMSGRVDAEVFDQSLALTQKHLNCSYESIPTPQIQQYCISRQVLENNNNKDSSTANLNIPGMGQNLAVPNVTKTFLVRDDSWLTESCTSSEILDSGISSAESSSNSTTSCGNFSDQLNSNPLKSTIDLQLSSQRVLARPRSNSDSACNACIVRLKTQYPNWDGQTLPSNRLTNSAFSEIASVQNVIGCLFQSAEEVKTRLFAPQGRRRGRLARKFKTMSCLSHNQSTEQQNEQTFLKCSISNSENVNTESCGEIQYHTSGNEILQTNISSNSDIYNSLKSLTWLAENVETPLTVPVHRRRGRPPRNPRIPSSTSQSVYNAKSCEKTFLTHPQWLKPFFRYLSTSEAETFLKNLERERILRIELSQLIQDYCGFSMKTAVADCVVREDSSSRFDLYKNLSSLCSSTSTSPLLPPSTSPVSKKSTASFVHHRLSNFMKLRKLKRSFSTTTRKPVHNFASNKMNQYRSFAHYNNYNLRRLNFANRINQKISCKRTQPVFN
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	35.6	Very low	68.3	Low	241 Å²	241	102.9 Å²	102.9	100%	1.187	51%	0.509	S	S	*	.				0	108.6	0	-74.4	-179.4	175.4	0	0	107.2	S3	M1-S3 PolarHBondContact O-N 3.03Å; M1-S3 VanDerWaalsContact O-N 3.08Å
2	F	38	Very low	70	Confident	208 Å²	208	104.8 Å²	104.8	91%	0.912	52%	0.521	S	S	*	.			trans	-69.2	103.4	174.5	-64.3	-84.2	0	0	0	107.6	K4	F2-K4 PolarHBondContact O-N 2.84Å
3	S	47.8	Very low	71.3	Confident	67 Å²	67	105.3 Å²	105.3	47%	0.469	52%	0.521	S	S	.	.			trans	-56.7	112.5	163.5	48.3	0	0	0	0	105.7	M1 L5	M1-S3 PolarHBondContact O-N 3.03Å; M1-S3 VanDerWaalsContact O-N 3.08Å; S3-L5 VanDerWaalsContact C-N 3.27Å; S3-L5 PolarHBondContact O-N 3.25Å
4	K	54.3	Low	72.4	Confident	206 Å²	206	106.5 Å²	106.5	90%	0.896	52%	0.522	S	S	*	.			trans	-64.8	95.9	177.4	-83.4	178.9	177.1	175.1	0	106.6	F2 S6	F2-K4 PolarHBondContact O-N 2.84Å; K4-S6 PolarHBondContact O-N 3.15Å; K4-S6 VanDerWaalsContact O-N 3.14Å
5	L	58.3	Low	73	Confident	81 Å²	81	99.7 Å²	99.7	42%	0.424	49%	0.488	S	S	.	.			trans	-47.6	123.1	174	-69.5	99.3	0	0	0	108.7	S3 K7 K14 D57	S3-L5 VanDerWaalsContact C-N 3.27Å; S3-L5 PolarHBondContact O-N 3.25Å; L5-K7 PolarHBondContact O-N 3.17Å; L5-K14 HydrophobicContact CD2-CD 3.61Å; L5-K14 HydrophobicContact CD2-CG 4.38Å; L5-D57 VanDerWaalsContact CD2-OD2 3.22Å; L5-D57 WeakPolarHBondContact CD2-OD2 3.35Å; L5-D57 VanDerWaalsContact CG-OD2 3.29Å; L5-D57 WeakPolarHBondContact CG-OD2 3.43Å
6	S	74.9	Confident	73.4	Confident	17 Å²	17	99.4 Å²	99.4	12%	0.119	50%	0.5	C	S	.	.			trans	-68.6	108.2	-177.9	52.3	0	0	0	0	109.7	K4 I15	K4-S6 PolarHBondContact O-N 3.15Å; K4-S6 VanDerWaalsContact O-N 3.14Å; S6-I15 WeakPolarHBondContact O-CB 3.49Å; S6-I15 WeakPolarHBondContact O-CG1 3.02Å; S6-I15 PolarHBondContact O-N 3.3Å
7	K	86.4	Confident	73.7	Confident	139 Å²	139	94.4 Å²	94.4	60%	0.604	48%	0.479	S	S	*	.	B	Isolated β-bridge	trans	-84.3	150	168.7	-63.3	-178.7	-179.7	-175.5	0	109.9	L5 E13	L5-K7 PolarHBondContact O-N 3.17Å; K7-E13 CarbonylContact C-O 3.56Å; K7-E13 WeakPolarHBondContact CA-O 3.32Å
8	C	89.9	Confident	74.2	Confident	1 Å²	1	94 Å²	94	1%	0.007	47%	0.473	C	S	.	.			trans	-66.6	134.1	170.8	-178.1	0	0	0	0	109.7	Y10 C11 L12 E13 I15 K29 C31	C8-Y10 PolarHBondContact O-N 2.85Å; C8-C11 WeakPolarHBondContact CB-SG 3.03Å; C8-L12 WeakPolarHBondContact O-CA 3.37Å; C8-L12 PolarHBondContact O-N 2.89Å; C8-L12 VanDerWaalsContact O-N 3.11Å; C8-E13 PolarHBondContact N-O 2.96Å; C8-I15 HydrophobicContact CB-CD1 4.33Å; C8-I15 HydrophobicContact CB-CG1 4.08Å; C8-K29 WeakPolarHBondContact CA-O 3.4Å; C8-C31 HydrophobicContact CB-CB 4.11Å; C8-C31 PolarHBondContact SG-N 3.3Å
9	C	88	Confident	74.9	Confident	61 Å²	61	89.3 Å²	89.3	41%	0.412	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-21.4	178.4	-65.4	0	0	0	0	113.7	K29	C9-K29 PolarHBondContact N-O 3.03Å; C9-K29 PolarHBondContact SG-N 2.85Å; C9-K29 PolarHBondContact SG-O 2.95Å; C9-K29 VanDerWaalsContact SG-O 3.41Å
10	Y	87.9	Confident	75.6	Confident	65 Å²	65	85.4 Å²	85.4	26%	0.255	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-61.3	-173.7	-68.7	-88.7	0	0	0	112.9	C8 L12 I28 I30 V39 G41 H44	C8-Y10 PolarHBondContact O-N 2.85Å; Y10-L12 VanDerWaalsContact C-N 3.27Å; Y10-L12 PolarHBondContact O-N 3.14Å; Y10-I28 HydrophobicContact CE2-CG2 4.34Å; Y10-I30 HydrophobicContact CD2-CD1 4.19Å; Y10-I30 HydrophobicContact CD2-CG1 4.04Å; Y10-I30 HydrophobicContact CD2-CG2 4.21Å; Y10-I30 HydrophobicContact CE2-CD1 3.65Å; Y10-I30 HydrophobicContact CE2-CG1 3.88Å; Y10-V39 HydrophobicContact CD1-CB 3.97Å; Y10-V39 HydrophobicContact CD1-CG2 3.92Å; Y10-V39 HydrophobicContact CD2-CB 4.47Å; Y10-V39 HydrophobicContact CD2-CG2 3.52Å; Y10-V39 HydrophobicContact CE1-CB 4.13Å; Y10-V39 HydrophobicContact CE1-CG2 4.08Å; Y10-V39 HydrophobicContact CE2-CG2 3.72Å; Y10-V39 HydrophobicContact CG-CB 4.14Å; Y10-V39 HydrophobicContact CG-CG2 3.63Å; Y10-G41 PolarHBondContact OH-N 2.96Å; Y10-G41 VanDerWaalsContact OH-N 3.1Å; Y10-G41 PolarHBondContact OH-O 2.82Å; Y10-H44 WeakPolarHBondContact OH-CB 3.32Å; Y10-H44 PolarHBondContact OH-CD2 2.97Å; Y10-H44 VanDerWaalsContact OH-CD2 3.31Å
11	C	90.2	Very high	76.3	Confident	46 Å²	46	82.4 Å²	82.4	31%	0.311	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-8.4	178.8	63.6	0	0	0	0	113.6	C8 E13 C34	C8-C11 WeakPolarHBondContact CB-SG 3.03Å; C11-E13 HydrophobicContact CB-CG 4.11Å; C11-E13 PolarHBondContact O-N 3.01Å; C11-C34 VanDerWaalsContact SG-SG 3.67Å
12	L	88.5	Confident	78.9	Confident	125 Å²	125	71.2 Å²	71.2	65%	0.654	36%	0.362	S	S	*	.			trans	58.9	4.2	-176.1	-53.8	176.5	0	0	0	114.9	C8 Y10	C8-L12 WeakPolarHBondContact O-CA 3.37Å; C8-L12 PolarHBondContact O-N 2.89Å; C8-L12 VanDerWaalsContact O-N 3.11Å; Y10-L12 VanDerWaalsContact C-N 3.27Å; Y10-L12 PolarHBondContact O-N 3.14Å
13	E	87.6	Confident	81.4	Confident	112 Å²	112	65.3 Å²	65.3	52%	0.523	34%	0.343	S	S	.	.			trans	-72	153.8	174.7	-60.4	180	159.8	0	0	111.3	K7 C8 C11 I15	K7-E13 CarbonylContact C-O 3.56Å; K7-E13 WeakPolarHBondContact CA-O 3.32Å; C8-E13 PolarHBondContact N-O 2.96Å; C11-E13 HydrophobicContact CB-CG 4.11Å; C11-E13 PolarHBondContact O-N 3.01Å; E13-I15 PolarHBondContact O-N 2.8Å
14	K	85.5	Confident	83.4	Confident	122 Å²	122	67.1 Å²	67.1	53%	0.53	34%	0.344	S	S	.	.	B	Isolated β-bridge	trans	-63.6	131.4	172	177.7	177.8	168.3	168.1	0	109.6	L5 S16 D57	L5-K14 HydrophobicContact CD2-CD 3.61Å; L5-K14 HydrophobicContact CD2-CG 4.38Å; K14-S16 PolarHBondContact O-N 3.28Å; K14-D57 IonicContact NZ-OD2 3.24Å
15	I	82.3	Confident	85.1	Confident	4 Å²	4	58.1 Å²	58.1	2%	0.021	31%	0.307	C	S	.	.			trans	-83.8	113.5	173.5	-51.4	174.1	0	0	0	109	S6 C8 E13 F18 C19 K29 C31 S55	S6-I15 WeakPolarHBondContact O-CB 3.49Å; S6-I15 WeakPolarHBondContact O-CG1 3.02Å; S6-I15 PolarHBondContact O-N 3.3Å; C8-I15 HydrophobicContact CB-CD1 4.33Å; C8-I15 HydrophobicContact CB-CG1 4.08Å; E13-I15 PolarHBondContact O-N 2.8Å; I15-F18 WeakPolarHBondContact CG2-O 3.42Å; I15-C19 HydrophobicContact CB-CB 4.46Å; I15-C19 HydrophobicContact CD1-CB 3.58Å; I15-C19 HydrophobicContact CG2-CB 3.84Å; I15-K29 HydrophobicContact CD1-CB 4.17Å; I15-C31 HydrophobicContact CG1-CB 4.13Å; I15-C31 HydrophobicContact CG2-CB 4.45Å; I15-S55 PolarHBondContact O-OG 2.88Å
16	S	79.4	Confident	86.2	Confident	96 Å²	96	59.5 Å²	59.5	67%	0.671	32%	0.323	S	S	*	.			trans	-95.7	138.1	168.7	54.7	0	0	0	0	110.2	K14 F18	K14-S16 PolarHBondContact O-N 3.28Å; S16-F18 PolarHBondContact O-N 2.84Å
17	G	77.4	Confident	86.5	Confident	14 Å²	14	64.9 Å²	64.9	14%	0.144	36%	0.355	C	S	.	.	S	Bend	trans	83	-99.4	179.1	0	0	0	0	0	113.3	R54 S55 D58	G17-R54 CarbonylContact O-C 3.58Å; G17-R54 WeakPolarHBondContact O-CA 3.47Å; G17-R54 WeakPolarHBondContact O-CG 3.46Å; G17-S55 PolarHBondContact O-N 3.45Å; G17-D58 VanDerWaalsContact CA-OD2 3.23Å; G17-D58 WeakPolarHBondContact CA-OD2 3.45Å; G17-D58 PolarHBondContact N-OD1 3.36Å
18	F	82.8	Confident	86.5	Confident	87 Å²	87	59.4 Å²	59.4	38%	0.382	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	132.8	-171.5	-58.9	-81.5	0	0	0	111.7	I15 S16 V32 I52 R54	I15-F18 WeakPolarHBondContact CG2-O 3.42Å; S16-F18 PolarHBondContact O-N 2.84Å; F18-V32 HydrophobicContact CB-CG2 4.33Å; F18-I52 HydrophobicContact CB-CG2 4.11Å; F18-I52 HydrophobicContact CD1-CG2 3.89Å; F18-I52 HydrophobicContact CG-CG2 4.3Å; F18-R54 HydrophobicContact CE1-CG 4.39Å
19	C	87.3	Confident	86.5	Confident	4 Å²	4	63.3 Å²	63.3	3%	0.027	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	142	166.8	67.2	0	0	0	0	110.1	I15 K53	I15-C19 HydrophobicContact CB-CB 4.46Å; I15-C19 HydrophobicContact CD1-CB 3.58Å; I15-C19 HydrophobicContact CG2-CB 3.84Å; C19-K53 PolarHBondContact N-O 2.88Å; C19-K53 PolarHBondContact O-N 3.14Å; C19-K53 VanDerWaalsContact O-O 3.07Å; C19-K53 PolarHBondContact SG-O 2.96Å
20	I	89.8	Confident	86.7	Confident	11 Å²	11	60.5 Å²	60.5	6%	0.056	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	116.5	176.2	-63.8	165.8	0	0	0	106.6	K29 I30 F35 Y50 I52	I20-K29 WeakPolarHBondContact O-CA 3.4Å; I20-I30 PolarHBondContact N-O 3.33Å; I20-I30 PolarHBondContact O-N 3.27Å; I20-F35 HydrophobicContact CB-CD2 4.41Å; I20-F35 HydrophobicContact CD1-CB 3.38Å; I20-F35 HydrophobicContact CD1-CD1 3.48Å; I20-F35 VanDerWaalsContact CD1-CD1 3.48Å; I20-F35 HydrophobicContact CD1-CD2 3.9Å; I20-F35 HydrophobicContact CD1-CE1 4.19Å; I20-F35 HydrophobicContact CD1-CG 3.3Å; I20-F35 HydrophobicContact CG1-CG 4.48Å; I20-F35 HydrophobicContact CG2-CD2 3.74Å; I20-F35 HydrophobicContact CG2-CE2 3.96Å; I20-F35 HydrophobicContact CG2-CG 4.31Å; I20-Y50 HydrophobicContact CG2-CD2 3.76Å; I20-Y50 HydrophobicContact CG2-CG 3.97Å; I20-I52 HydrophobicContact CG1-CG1 4.47Å
21	V	89.7	Confident	86.8	Confident	23 Å²	23	58.1 Å²	58.1	14%	0.139	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	123	-178.5	-173.4	0	0	0	0	108.5	I28 K29 Y50 I51 K53	V21-I28 WeakPolarHBondContact CA-O 3.41Å; V21-K29 HydrophobicContact CG2-CG 4.19Å; V21-Y50 CarbonylContact O-C 3.57Å; V21-Y50 VanDerWaalsContact O-CA 3.3Å; V21-Y50 WeakPolarHBondContact O-CA 3.25Å; V21-I51 PolarHBondContact N-O 2.9Å; V21-I51 PolarHBondContact O-N 3.01Å; V21-K53 HydrophobicContact CG2-CB 4.24Å; V21-K53 HydrophobicContact CG2-CD 3.85Å; V21-K53 HydrophobicContact CG2-CG 3.98Å
22	C	91.7	Very high	86.8	Confident	7 Å²	7	59.8 Å²	59.8	5%	0.047	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	132.7	172	-173.7	0	0	0	0	109.7	E24 C25 I28 H44 H48	C22-E24 PolarHBondContact SG-N 3.1Å; C22-C25 HydrophobicContact CB-CB 3.96Å; C22-C25 PolarHBondContact SG-N 3.38Å; C22-I28 HydrophobicContact CB-CB 4.11Å; C22-I28 HydrophobicContact CB-CG2 4.4Å; C22-I28 PolarHBondContact N-O 3.48Å; C22-H44 VanDerWaalsContact SG-CE1 3.56Å; C22-H44 PolarHBondContact SG-ND1 3.5Å; C22-H44 VanDerWaalsContact SG-ND1 3.41Å; C22-H48 VanDerWaalsContact SG-CB 3.52Å
23	V	90.3	Very high	86.9	Confident	83 Å²	83	61 Å²	61	50%	0.503	33%	0.331	S	S	.	.	S	Bend	trans	-76.9	-31.9	175.9	-178.7	0	0	0	0	110.9	K49 I51	V23-K49 HydrophobicContact CB-CB 4.07Å; V23-K49 WeakPolarHBondContact CB-O 3.48Å; V23-K49 HydrophobicContact CG2-CB 4.19Å; V23-K49 PolarHBondContact N-O 3.05Å; V23-I51 HydrophobicContact CG2-CD1 3.66Å; V23-I51 HydrophobicContact CG2-CG1 3.58Å
24	E	89.1	Confident	87.2	Confident	105 Å²	105	56.4 Å²	56.4	49%	0.491	31%	0.311	S	S	.	.	S	Bend	trans	-91	-20.5	-171.8	-63.1	174.4	-152	0	0	112.8	C22 H48 K49	C22-E24 PolarHBondContact SG-N 3.1Å; E24-H48 HydrophobicContact CB-CB 4.12Å; E24-H48 HydrophobicContact CG-CB 4.26Å; E24-H48 IonicContact OE2-CD2 3.85Å; E24-H48 PolarHBondContact OE2-CD2 2.79Å; E24-H48 IonicContact OE2-CE1 3.9Å; E24-H48 IonicContact OE2-CG 3.7Å; E24-H48 VanDerWaalsContact OE2-CG 3.23Å; E24-H48 IonicContact OE2-ND1 3.5Å; E24-H48 IonicContact OE2-NE2 3.97Å; E24-K49 WeakPolarHBondContact OE1-CG 3.36Å; E24-K49 PolarHBondContact OE1-N 3.35Å
25	C	89.3	Confident	87.4	Confident	17 Å²	17	53.9 Å²	53.9	12%	0.115	30%	0.3	C	S	.	.	S	Bend	trans	-106.9	132.4	179.5	-57.5	0	0	0	0	110.9	C22 V27 I28 H44 H48	C22-C25 HydrophobicContact CB-CB 3.96Å; C22-C25 PolarHBondContact SG-N 3.38Å; C25-V27 PolarHBondContact O-N 2.86Å; C25-I28 HydrophobicContact CB-CB 4.11Å; C25-I28 HydrophobicContact CB-CD1 3.36Å; C25-I28 HydrophobicContact CB-CG1 3.68Å; C25-H44 PolarHBondContact SG-ND1 3.43Å; C25-H48 VanDerWaalsContact SG-CE1 3.56Å; C25-H48 PolarHBondContact SG-ND1 2.95Å
26	S	81.6	Confident	87.9	Confident	110 Å²	110	58.1 Å²	58.1	77%	0.769	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	125.5	171	47.7	0	0	0	0	110.2	I28	S26-I28 PolarHBondContact O-N 3.24Å
27	V	81.2	Confident	88.4	Confident	130 Å²	130	58.4 Å²	58.4	79%	0.788	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.7	10.9	168	-156.6	0	0	0	0	116.5	C25 K29	C25-V27 PolarHBondContact O-N 2.86Å; V27-K29 PolarHBondContact O-N 3.14Å
28	I	87.9	Confident	89.1	Confident	25 Å²	25	59.2 Å²	59.2	13%	0.128	34%	0.339	C	S	.	.			trans	-84.4	114.8	178.6	-59.7	-172.6	0	0	0	111.5	Y10 V21 C22 C25 S26 I30 H44	Y10-I28 HydrophobicContact CE2-CG2 4.34Å; V21-I28 WeakPolarHBondContact CA-O 3.41Å; C22-I28 HydrophobicContact CB-CB 4.11Å; C22-I28 HydrophobicContact CB-CG2 4.4Å; C22-I28 PolarHBondContact N-O 3.48Å; C25-I28 HydrophobicContact CB-CB 4.11Å; C25-I28 HydrophobicContact CB-CD1 3.36Å; C25-I28 HydrophobicContact CB-CG1 3.68Å; S26-I28 PolarHBondContact O-N 3.24Å; I28-I30 HydrophobicContact CG2-CD1 3.78Å; I28-I30 HydrophobicContact CG2-CG1 3.59Å; I28-H44 HydrophobicContact CD1-CB 3.44Å; I28-H44 VanDerWaalsContact CD1-CB 3.44Å
29	K	89.3	Confident	89.3	Confident	82 Å²	82	56.8 Å²	56.8	36%	0.357	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	122.2	171	-59.8	-172.2	179	-179.2	0	109.5	C8 C9 I15 I20 V21 V27	C8-K29 WeakPolarHBondContact CA-O 3.4Å; C9-K29 PolarHBondContact N-O 3.03Å; C9-K29 PolarHBondContact SG-N 2.85Å; C9-K29 PolarHBondContact SG-O 2.95Å; C9-K29 VanDerWaalsContact SG-O 3.41Å; I15-K29 HydrophobicContact CD1-CB 4.17Å; I20-K29 WeakPolarHBondContact O-CA 3.4Å; V21-K29 HydrophobicContact CG2-CG 4.19Å; V27-K29 PolarHBondContact O-N 3.14Å
30	I	91.6	Very high	89.5	Confident	3 Å²	3	61.4 Å²	61.4	2%	0.015	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	139.4	-175.4	-47	-179.1	0	0	0	108.5	Y10 I20 I28 C34 F35 V39 H44	Y10-I30 HydrophobicContact CD2-CD1 4.19Å; Y10-I30 HydrophobicContact CD2-CG1 4.04Å; Y10-I30 HydrophobicContact CD2-CG2 4.21Å; Y10-I30 HydrophobicContact CE2-CD1 3.65Å; Y10-I30 HydrophobicContact CE2-CG1 3.88Å; I20-I30 PolarHBondContact N-O 3.33Å; I20-I30 PolarHBondContact O-N 3.27Å; I28-I30 HydrophobicContact CG2-CD1 3.78Å; I28-I30 HydrophobicContact CG2-CG1 3.59Å; I30-C34 HydrophobicContact CG2-CB 3.35Å; I30-F35 HydrophobicContact CG2-CB 4.22Å; I30-V39 HydrophobicContact CD1-CG2 4.42Å; I30-V39 HydrophobicContact CG2-CG2 4.03Å; I30-H44 WeakPolarHBondContact CD1-NE2 3.23Å
31	C	91.1	Very high	89.2	Confident	14 Å²	14	62.3 Å²	62.3	10%	0.095	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	159.3	170.6	72.3	0	0	0	0	110.7	C8 I15 K33 C34 F35	C8-C31 HydrophobicContact CB-CB 4.11Å; C8-C31 PolarHBondContact SG-N 3.3Å; I15-C31 HydrophobicContact CG1-CB 4.13Å; I15-C31 HydrophobicContact CG2-CB 4.45Å; C31-K33 PolarHBondContact O-N 3.15Å; C31-C34 PolarHBondContact O-N 3.39Å; C31-C34 PolarHBondContact SG-N 2.97Å; C31-C34 VanDerWaalsContact SG-N 3.37Å; C31-F35 PolarHBondContact O-N 3.22Å
32	V	90.2	Very high	88.9	Confident	81 Å²	81	65.5 Å²	65.5	49%	0.491	40%	0.403	S	S	.	.	H	α-helix	trans	-56	-38.5	-179.2	-178.7	0	0	0	0	112.1	F18 F35 S36	F18-V32 HydrophobicContact CB-CG2 4.33Å; V32-F35 PolarHBondContact O-N 2.91Å; V32-S36 WeakPolarHBondContact O-CB 3.42Å; V32-S36 PolarHBondContact O-N 3.43Å; V32-S36 PolarHBondContact O-OG 2.85Å
33	K	90.3	Very high	88.7	Confident	151 Å²	151	74.5 Å²	74.5	66%	0.657	44%	0.441	S	S	*	.	H	α-helix	trans	-62.3	-52.9	177.5	-63.7	-178.6	-178.3	176.4	0	111.9	C31 F35 S36 C37	C31-K33 PolarHBondContact O-N 3.15Å; K33-F35 VanDerWaalsContact C-N 3.3Å; K33-F35 PolarHBondContact O-N 3.05Å; K33-S36 PolarHBondContact O-N 2.99Å; K33-S36 VanDerWaalsContact O-N 3.12Å; K33-S36 PolarHBondContact O-OG 3.46Å; K33-C37 PolarHBondContact O-N 3.2Å; K33-C37 PolarHBondContact O-SG 3.48Å; K33-C37 VanDerWaalsContact O-SG 3.37Å
34	C	92.4	Very high	88.7	Confident	16 Å²	16	71.3 Å²	71.3	11%	0.108	42%	0.421	C	S	.	.	H	α-helix	trans	-61.9	-38.8	178.5	-74.1	0	0	0	0	112.1	C11 I30 C31 S36 C37 G38 V39	C11-C34 VanDerWaalsContact SG-SG 3.67Å; I30-C34 HydrophobicContact CG2-CB 3.35Å; C31-C34 PolarHBondContact O-N 3.39Å; C31-C34 PolarHBondContact SG-N 2.97Å; C31-C34 VanDerWaalsContact SG-N 3.37Å; C34-S36 VanDerWaalsContact C-N 3.35Å; C34-S36 PolarHBondContact O-N 3.3Å; C34-C37 PolarHBondContact O-N 3.44Å; C34-G38 PolarHBondContact O-N 3.04Å; C34-V39 HydrophobicContact CB-CG1 4.26Å; C34-V39 HydrophobicContact CB-CG2 3.88Å; C34-V39 WeakPolarHBondContact O-CG1 3.46Å; C34-V39 WeakPolarHBondContact O-CG2 3.25Å; C34-V39 PolarHBondContact O-N 3.17Å
35	F	91.6	Very high	88.8	Confident	68 Å²	68	71.8 Å²	71.8	30%	0.298	42%	0.421	S	S	.	.	H	α-helix	trans	-62.8	-41.5	174.5	-179	-98.1	0	0	0	112.1	I20 I30 C31 V32 K33 C37 G38 Y50	I20-F35 HydrophobicContact CB-CD2 4.41Å; I20-F35 HydrophobicContact CD1-CB 3.38Å; I20-F35 HydrophobicContact CD1-CD1 3.48Å; I20-F35 VanDerWaalsContact CD1-CD1 3.48Å; I20-F35 HydrophobicContact CD1-CD2 3.9Å; I20-F35 HydrophobicContact CD1-CE1 4.19Å; I20-F35 HydrophobicContact CD1-CG 3.3Å; I20-F35 HydrophobicContact CG1-CG 4.48Å; I20-F35 HydrophobicContact CG2-CD2 3.74Å; I20-F35 HydrophobicContact CG2-CE2 3.96Å; I20-F35 HydrophobicContact CG2-CG 4.31Å; I30-F35 HydrophobicContact CG2-CB 4.22Å; C31-F35 PolarHBondContact O-N 3.22Å; V32-F35 PolarHBondContact O-N 2.91Å; K33-F35 VanDerWaalsContact C-N 3.3Å; K33-F35 PolarHBondContact O-N 3.05Å; F35-C37 VanDerWaalsContact C-N 3.27Å; F35-C37 PolarHBondContact O-N 3.36Å; F35-G38 WeakPolarHBondContact O-CA 3.44Å; F35-G38 PolarHBondContact O-N 3.04Å; F35-Y50 AromaticContact CE2-CD1 3.95Å; F35-Y50 HydrophobicContact CE2-CD1 3.95Å; F35-Y50 HydrophobicContact CE2-CD2 4.47Å; F35-Y50 HydrophobicContact CE2-CE1 4.14Å; F35-Y50 HydrophobicContact CE2-CG 4.13Å; F35-Y50 AromaticContact CZ-CD1 3.9Å; F35-Y50 HydrophobicContact CZ-CD1 3.9Å; F35-Y50 HydrophobicContact CZ-CD2 4.34Å; F35-Y50 AromaticContact CZ-CE1 3.6Å; F35-Y50 HydrophobicContact CZ-CE1 3.6Å; F35-Y50 HydrophobicContact CZ-CE2 4.06Å; F35-Y50 HydrophobicContact CZ-CG 4.26Å; F35-Y50 AromaticContact CZ-CZ 3.68Å
36	S	90.9	Very high	88.8	Confident	94 Å²	94	77.5 Å²	77.5	66%	0.657	44%	0.444	S	S	*	.	H	α-helix	trans	-64.4	-30.2	176.3	70.5	0	0	0	0	113.4	V32 K33 C34 G38	V32-S36 WeakPolarHBondContact O-CB 3.42Å; V32-S36 PolarHBondContact O-N 3.43Å; V32-S36 PolarHBondContact O-OG 2.85Å; K33-S36 PolarHBondContact O-N 2.99Å; K33-S36 VanDerWaalsContact O-N 3.12Å; K33-S36 PolarHBondContact O-OG 3.46Å; C34-S36 VanDerWaalsContact C-N 3.35Å; C34-S36 PolarHBondContact O-N 3.3Å; S36-G38 PolarHBondContact O-N 3.29Å
37	C	91.7	Very high	89.3	Confident	101 Å²	101	78.5 Å²	78.5	68%	0.682	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-4.5	171.8	-61.3	0	0	0	0	113.2	K33 C34 F35 V39	K33-C37 PolarHBondContact O-N 3.2Å; K33-C37 PolarHBondContact O-SG 3.48Å; K33-C37 VanDerWaalsContact O-SG 3.37Å; C34-C37 PolarHBondContact O-N 3.44Å; F35-C37 VanDerWaalsContact C-N 3.27Å; F35-C37 PolarHBondContact O-N 3.36Å; C37-V39 VanDerWaalsContact C-N 3.32Å; C37-V39 HydrophobicContact CB-CG1 4.13Å; C37-V39 PolarHBondContact O-N 3.46Å
38	G	90.4	Very high	89.8	Confident	31 Å²	31	73.8 Å²	73.8	32%	0.32	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	63	35.9	-179.2	0	0	0	0	0	113.2	C34 F35 S36 E40	C34-G38 PolarHBondContact O-N 3.04Å; F35-G38 WeakPolarHBondContact O-CA 3.44Å; F35-G38 PolarHBondContact O-N 3.04Å; S36-G38 PolarHBondContact O-N 3.29Å; G38-E40 PolarHBondContact O-N 3.26Å
39	V	88.6	Confident	90	Very high	37 Å²	37	79.8 Å²	79.8	22%	0.224	43%	0.434	C	S	.	.			trans	-59.2	130.4	-177	-63	0	0	0	0	111.3	Y10 I30 C34 C37	Y10-V39 HydrophobicContact CD1-CB 3.97Å; Y10-V39 HydrophobicContact CD1-CG2 3.92Å; Y10-V39 HydrophobicContact CD2-CB 4.47Å; Y10-V39 HydrophobicContact CD2-CG2 3.52Å; Y10-V39 HydrophobicContact CE1-CB 4.13Å; Y10-V39 HydrophobicContact CE1-CG2 4.08Å; Y10-V39 HydrophobicContact CE2-CG2 3.72Å; Y10-V39 HydrophobicContact CG-CB 4.14Å; Y10-V39 HydrophobicContact CG-CG2 3.63Å; I30-V39 HydrophobicContact CD1-CG2 4.42Å; I30-V39 HydrophobicContact CG2-CG2 4.03Å; C34-V39 HydrophobicContact CB-CG1 4.26Å; C34-V39 HydrophobicContact CB-CG2 3.88Å; C34-V39 WeakPolarHBondContact O-CG1 3.46Å; C34-V39 WeakPolarHBondContact O-CG2 3.25Å; C34-V39 PolarHBondContact O-N 3.17Å; C37-V39 VanDerWaalsContact C-N 3.32Å; C37-V39 HydrophobicContact CB-CG1 4.13Å; C37-V39 PolarHBondContact O-N 3.46Å
40	E	90	Very high	90.1	Very high	100 Å²	100	81.5 Å²	81.5	47%	0.467	44%	0.439	S	S	.	.			trans	-117.5	147.1	173	-60	-169.4	147.7	0	0	108.5	G38 K46	G38-E40 PolarHBondContact O-N 3.26Å; E40-K46 HydrophobicContact CG-CB 4.01Å; E40-K46 HydrophobicContact CG-CD 4.49Å; E40-K46 HydrophobicContact CG-CG 4.5Å; E40-K46 WeakPolarHBondContact OE1-CB 3.35Å; E40-K46 VanDerWaalsContact OE1-CD 3.28Å; E40-K46 WeakPolarHBondContact OE1-CD 3.44Å; E40-K46 WeakPolarHBondContact OE1-CG 3.45Å; E40-K46 PolarHBondContact OE1-N 3.17Å
41	G	83.6	Confident	90	Very high	30 Å²	30	85.6 Å²	85.6	31%	0.309	46%	0.46	S	S	.	.	B	Isolated β-bridge	trans	-174.1	138.3	179.9	0	0	0	0	0	113.4	Y10 K43 H44	Y10-G41 PolarHBondContact OH-N 2.96Å; Y10-G41 VanDerWaalsContact OH-N 3.1Å; Y10-G41 PolarHBondContact OH-O 2.82Å; G41-K43 PolarHBondContact O-N 3.48Å; G41-H44 PolarHBondContact N-O 3.43Å; G41-H44 VanDerWaalsContact O-CB 3.31Å; G41-H44 WeakPolarHBondContact O-CB 3.38Å; G41-H44 PolarHBondContact O-N 3.41Å
42	G	84.9	Confident	89.9	Confident	91 Å²	91	89.8 Å²	89.8	94%	0.938	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	-124	-174.1	0	0	0	0	0	111.3	H44	G42-H44 VanDerWaalsContact C-N 3.32Å
43	K	87.5	Confident	89.6	Confident	196 Å²	196	91.3 Å²	91.3	85%	0.852	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-4	177.4	-62.7	-178	179.6	-179.9	0	113.6	G41 H48	G41-K43 PolarHBondContact O-N 3.48Å; K43-H48 PolarHBondContact O-CE1 2.97Å
44	H	90.4	Very high	88.7	Confident	15 Å²	15	87.9 Å²	87.9	7%	0.069	46%	0.463	C	S	.	.	B	Isolated β-bridge	trans	-86.4	132.8	-178.3	-170.9	57.1	0	0	0	112.3	Y10 C22 C25 I28 I30 G41 G42 H48	Y10-H44 WeakPolarHBondContact OH-CB 3.32Å; Y10-H44 PolarHBondContact OH-CD2 2.97Å; Y10-H44 VanDerWaalsContact OH-CD2 3.31Å; C22-H44 VanDerWaalsContact SG-CE1 3.56Å; C22-H44 PolarHBondContact SG-ND1 3.5Å; C22-H44 VanDerWaalsContact SG-ND1 3.41Å; C25-H44 PolarHBondContact SG-ND1 3.43Å; I28-H44 HydrophobicContact CD1-CB 3.44Å; I28-H44 VanDerWaalsContact CD1-CB 3.44Å; I30-H44 WeakPolarHBondContact CD1-NE2 3.23Å; G41-H44 PolarHBondContact N-O 3.43Å; G41-H44 VanDerWaalsContact O-CB 3.31Å; G41-H44 WeakPolarHBondContact O-CB 3.38Å; G41-H44 PolarHBondContact O-N 3.41Å; G42-H44 VanDerWaalsContact C-N 3.32Å; H44-H48 AromaticContact ND1-ND1 3.71Å
45	K	91	Very high	87.5	Confident	116 Å²	116	87.5 Å²	87.5	50%	0.504	46%	0.46	S	S	.	.			trans	-119.7	152	169.5	-57.4	-176.5	175.8	-177.1	0	109.9	I47 H48	K45-I47 HydrophobicContact CB-CG1 3.73Å; K45-I47 HydrophobicContact CD-CD1 4.22Å; K45-I47 HydrophobicContact CD-CG1 4.35Å; K45-I47 PolarHBondContact O-N 3.4Å; K45-I47 VanDerWaalsContact O-N 3.1Å; K45-H48 PolarHBondContact N-CE1 3.43Å; K45-H48 WeakPolarHBondContact O-CB 3.42Å; K45-H48 PolarHBondContact O-N 2.92Å; K45-H48 VanDerWaalsContact O-N 3.13Å
46	K	89.6	Confident	86.2	Confident	137 Å²	137	92.7 Å²	92.7	60%	0.596	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-18.7	178.6	75.1	-161.3	170.8	-177	0	113.5	E40	E40-K46 HydrophobicContact CG-CB 4.01Å; E40-K46 HydrophobicContact CG-CD 4.49Å; E40-K46 HydrophobicContact CG-CG 4.5Å; E40-K46 WeakPolarHBondContact OE1-CB 3.35Å; E40-K46 VanDerWaalsContact OE1-CD 3.28Å; E40-K46 WeakPolarHBondContact OE1-CD 3.44Å; E40-K46 WeakPolarHBondContact OE1-CG 3.45Å; E40-K46 PolarHBondContact OE1-N 3.17Å
47	I	90.4	Very high	84.5	Confident	131 Å²	131	91 Å²	91	67%	0.672	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-7	180	58.4	167.2	0	0	0	113.9	K45	K45-I47 HydrophobicContact CB-CG1 3.73Å; K45-I47 HydrophobicContact CD-CD1 4.22Å; K45-I47 HydrophobicContact CD-CG1 4.35Å; K45-I47 PolarHBondContact O-N 3.4Å; K45-I47 VanDerWaalsContact O-N 3.1Å
48	H	93	Very high	82.7	Confident	30 Å²	30	88.3 Å²	88.3	14%	0.139	45%	0.448	C	S	.	.	S	Bend	trans	-68.1	147.3	-179.3	-68.2	-174.9	0	0	0	111.5	C22 E24 C25 K43 H44 K45	C22-H48 VanDerWaalsContact SG-CB 3.52Å; E24-H48 HydrophobicContact CB-CB 4.12Å; E24-H48 HydrophobicContact CG-CB 4.26Å; E24-H48 IonicContact OE2-CD2 3.85Å; E24-H48 PolarHBondContact OE2-CD2 2.79Å; E24-H48 IonicContact OE2-CE1 3.9Å; E24-H48 IonicContact OE2-CG 3.7Å; E24-H48 VanDerWaalsContact OE2-CG 3.23Å; E24-H48 IonicContact OE2-ND1 3.5Å; E24-H48 IonicContact OE2-NE2 3.97Å; C25-H48 VanDerWaalsContact SG-CE1 3.56Å; C25-H48 PolarHBondContact SG-ND1 2.95Å; K43-H48 PolarHBondContact O-CE1 2.97Å; H44-H48 AromaticContact ND1-ND1 3.71Å; K45-H48 PolarHBondContact N-CE1 3.43Å; K45-H48 WeakPolarHBondContact O-CB 3.42Å; K45-H48 PolarHBondContact O-N 2.92Å; K45-H48 VanDerWaalsContact O-N 3.13Å
49	K	91.6	Very high	81	Confident	152 Å²	152	93.9 Å²	93.9	66%	0.661	47%	0.471	S	S	*	.			trans	-60	140.4	170.7	-66.6	175.3	-175	176.1	0	110.2	V23 E24	V23-K49 HydrophobicContact CB-CB 4.07Å; V23-K49 WeakPolarHBondContact CB-O 3.48Å; V23-K49 HydrophobicContact CG2-CB 4.19Å; V23-K49 PolarHBondContact N-O 3.05Å; E24-K49 WeakPolarHBondContact OE1-CG 3.36Å; E24-K49 PolarHBondContact OE1-N 3.35Å
50	Y	92.1	Very high	79.4	Confident	118 Å²	118	94.9 Å²	94.9	46%	0.463	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	156.3	-178.5	66.3	-90.1	0	0	0	112	I20 V21 F35 I52	I20-Y50 HydrophobicContact CG2-CD2 3.76Å; I20-Y50 HydrophobicContact CG2-CG 3.97Å; V21-Y50 CarbonylContact O-C 3.57Å; V21-Y50 VanDerWaalsContact O-CA 3.3Å; V21-Y50 WeakPolarHBondContact O-CA 3.25Å; F35-Y50 AromaticContact CE2-CD1 3.95Å; F35-Y50 HydrophobicContact CE2-CD1 3.95Å; F35-Y50 HydrophobicContact CE2-CD2 4.47Å; F35-Y50 HydrophobicContact CE2-CE1 4.14Å; F35-Y50 HydrophobicContact CE2-CG 4.13Å; F35-Y50 AromaticContact CZ-CD1 3.9Å; F35-Y50 HydrophobicContact CZ-CD1 3.9Å; F35-Y50 HydrophobicContact CZ-CD2 4.34Å; F35-Y50 AromaticContact CZ-CE1 3.6Å; F35-Y50 HydrophobicContact CZ-CE1 3.6Å; F35-Y50 HydrophobicContact CZ-CE2 4.06Å; F35-Y50 HydrophobicContact CZ-CG 4.26Å; F35-Y50 AromaticContact CZ-CZ 3.68Å; Y50-I52 HydrophobicContact CD2-CG1 4.35Å; Y50-I52 HydrophobicContact CE2-CD1 4.48Å; Y50-I52 HydrophobicContact CE2-CG1 4.21Å
51	I	88.8	Confident	77.6	Confident	88 Å²	88	93 Å²	93	45%	0.451	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	132.9	173.7	-65	166.4	0	0	0	107.9	V21 V23 K53	V21-I51 PolarHBondContact N-O 2.9Å; V21-I51 PolarHBondContact O-N 3.01Å; V23-I51 HydrophobicContact CG2-CD1 3.66Å; V23-I51 HydrophobicContact CG2-CG1 3.58Å; I51-K53 HydrophobicContact CG2-CG 4.04Å
52	I	88.3	Confident	76.3	Confident	103 Å²	103	99.6 Å²	99.6	53%	0.528	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	121.1	172.5	-56.6	172.7	0	0	0	107.9	F18 I20 Y50	F18-I52 HydrophobicContact CB-CG2 4.11Å; F18-I52 HydrophobicContact CD1-CG2 3.89Å; F18-I52 HydrophobicContact CG-CG2 4.3Å; I20-I52 HydrophobicContact CG1-CG1 4.47Å; Y50-I52 HydrophobicContact CD2-CG1 4.35Å; Y50-I52 HydrophobicContact CE2-CD1 4.48Å; Y50-I52 HydrophobicContact CE2-CG1 4.21Å
53	K	83.7	Confident	75	Confident	112 Å²	112	102.5 Å²	102.5	49%	0.487	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	140.1	174.9	-64.6	-166.3	-177.3	-175.9	0	110	C19 V21 I51	C19-K53 PolarHBondContact N-O 2.88Å; C19-K53 PolarHBondContact O-N 3.14Å; C19-K53 VanDerWaalsContact O-O 3.07Å; C19-K53 PolarHBondContact SG-O 2.96Å; V21-K53 HydrophobicContact CG2-CB 4.24Å; V21-K53 HydrophobicContact CG2-CD 3.85Å; V21-K53 HydrophobicContact CG2-CG 3.98Å; I51-K53 HydrophobicContact CG2-CG 4.04Å
54	R	72.1	Confident	74.3	Confident	80 Å²	80	97.9 Å²	97.9	30%	0.302	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	143.4	171	-157.5	172.5	-174.9	155.3	-0.5	109.7	G17 F18 D58	G17-R54 CarbonylContact O-C 3.58Å; G17-R54 WeakPolarHBondContact O-CA 3.47Å; G17-R54 WeakPolarHBondContact O-CG 3.46Å; F18-R54 HydrophobicContact CE1-CG 4.39Å; R54-D58 HydrophobicContact CG-CB 4.4Å; R54-D58 IonicContact CZ-OD2 3.76Å; R54-D58 IonicContact NE-OD2 3.61Å; R54-D58 PolarHBondContact NE-OD2 3.13Å; R54-D58 IonicContact NH2-OD2 3.65Å; R54-D58 PolarHBondContact NH2-OD2 3.32Å
55	S	67.8	Low	73.9	Confident	7 Å²	7	99.2 Å²	99.2	5%	0.049	49%	0.487	C	S	.	.			trans	-66.1	136.2	170.3	-165.8	0	0	0	0	108.8	I15 G17 D57 D58	I15-S55 PolarHBondContact O-OG 2.88Å; G17-S55 PolarHBondContact O-N 3.45Å; S55-D57 PolarHBondContact O-N 2.8Å; S55-D57 VanDerWaalsContact O-N 3.16Å; S55-D58 PolarHBondContact O-N 3.24Å
56	E	63.6	Low	73.4	Confident	177 Å²	177	96.1 Å²	96.1	83%	0.827	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-17.3	179.8	-69.2	171.1	-169.7	0	0	112.4
57	D	56.2	Low	73	Confident	59 Å²	59	94.8 Å²	94.8	32%	0.316	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-4.9	-177.8	-62.5	-26.2	0	0	0	114.2	L5 K14 S55 N59	L5-D57 VanDerWaalsContact CD2-OD2 3.22Å; L5-D57 WeakPolarHBondContact CD2-OD2 3.35Å; L5-D57 VanDerWaalsContact CG-OD2 3.29Å; L5-D57 WeakPolarHBondContact CG-OD2 3.43Å; K14-D57 IonicContact NZ-OD2 3.24Å; S55-D57 PolarHBondContact O-N 2.8Å; S55-D57 VanDerWaalsContact O-N 3.16Å; D57-N59 VanDerWaalsContact C-N 3.35Å; D57-N59 PolarHBondContact O-N 2.76Å
58	D	53.9	Low	72.7	Confident	45 Å²	45	91.8 Å²	91.8	24%	0.241	47%	0.466	C	S	.	.			trans	-80.5	85.2	173.3	-79.9	12.7	0	0	0	109.1	G17 R54 S55 P60	G17-D58 VanDerWaalsContact CA-OD2 3.23Å; G17-D58 WeakPolarHBondContact CA-OD2 3.45Å; G17-D58 PolarHBondContact N-OD1 3.36Å; R54-D58 HydrophobicContact CG-CB 4.4Å; R54-D58 IonicContact CZ-OD2 3.76Å; R54-D58 IonicContact NE-OD2 3.61Å; R54-D58 PolarHBondContact NE-OD2 3.13Å; R54-D58 IonicContact NH2-OD2 3.65Å; R54-D58 PolarHBondContact NH2-OD2 3.32Å; S55-D58 PolarHBondContact O-N 3.24Å; D58-P60 VanDerWaalsContact O-CD 3.23Å; D58-P60 WeakPolarHBondContact O-CD 3.2Å; D58-P60 VanDerWaalsContact O-N 3.14Å
59	N	55	Low	72.4	Confident	148 Å²	148	91.8 Å²	91.8	79%	0.791	47%	0.466	S	S	*	.			trans	-59	115.8	151.6	-81.6	-11.6	0	0	0	105.8	D57 A61	D57-N59 VanDerWaalsContact C-N 3.35Å; D57-N59 PolarHBondContact O-N 2.76Å; N59-A61 PolarHBondContact O-N 3.06Å
60	P	53.4	Low	72.3	Confident	58 Å²	58	85.9 Å²	85.9	38%	0.377	44%	0.44	S	S	.	.			trans	-59	114.9	171.9	26.4	-31.2	0	0	0	105.3	D58 D62 L66	D58-P60 VanDerWaalsContact O-CD 3.23Å; D58-P60 WeakPolarHBondContact O-CD 3.2Å; D58-P60 VanDerWaalsContact O-N 3.14Å; P60-D62 PolarHBondContact O-N 2.93Å; P60-L66 HydrophobicContact CB-CD2 3.94Å; P60-L66 HydrophobicContact CG-CD2 4.15Å
61	A	52.9	Low	72.2	Confident	60 Å²	60	84.7 Å²	84.7	50%	0.496	44%	0.441	S	S	.	.			trans	-51	140.9	163	0	0	0	0	0	106.6	N59 N63 Q64	N59-A61 PolarHBondContact O-N 3.06Å; A61-N63 PolarHBondContact O-N 3.48Å; A61-Q64 PolarHBondContact O-N 3.47Å
62	D	56.3	Low	72.4	Confident	168 Å²	168	86 Å²	86	90%	0.898	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	-6.1	-168.4	-68.7	-35.9	0	0	0	116.1	P60	P60-D62 PolarHBondContact O-N 2.93Å
63	N	57.3	Low	72.6	Confident	152 Å²	152	81.1 Å²	81.1	81%	0.813	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.6	19.4	-176.6	-58.9	-30.1	0	0	0	114.5	A61	A61-N63 PolarHBondContact O-N 3.48Å
64	Q	72.1	Confident	73.1	Confident	100 Å²	100	78.2 Å²	78.2	47%	0.467	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-103.8	124.2	176.5	-68.5	-172.8	0.4	0	0	112.3	A61 L66	A61-Q64 PolarHBondContact O-N 3.47Å; Q64-L66 PolarHBondContact O-N 3.48Å
65	W	82.2	Confident	74.1	Confident	42 Å²	42	79.2 Å²	79.2	16%	0.159	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-57.3	123	168.9	-83.4	76.3	0	0	0	111	E69 L73 L92 H95 H103	W65-E69 HydrophobicContact CE3-CB 4.02Å; W65-E69 HydrophobicContact CZ3-CB 4.27Å; W65-L73 HydrophobicContact CH2-CB 4.32Å; W65-L73 HydrophobicContact CH2-CD1 4.23Å; W65-L73 HydrophobicContact CH2-CD2 3.77Å; W65-L73 HydrophobicContact CH2-CG 4.32Å; W65-L73 HydrophobicContact CZ3-CB 3.84Å; W65-L73 HydrophobicContact CZ3-CD2 3.7Å; W65-L73 HydrophobicContact CZ3-CG 4.24Å; W65-L92 HydrophobicContact CH2-CD1 4.19Å; W65-L92 HydrophobicContact CZ3-CD1 4.5Å; W65-H95 AromaticContact CD2-NE2 3.88Å; W65-H95 AromaticContact CE2-CD2 3.76Å; W65-H95 AromaticContact CE2-NE2 3.89Å; W65-H95 HydrophobicContact CH2-CB 4.16Å; W65-H95 AromaticContact CH2-CD2 3.56Å; W65-H95 AromaticContact CH2-CG 3.98Å; W65-H95 HydrophobicContact CZ2-CB 3.95Å; W65-H95 AromaticContact CZ2-CD2 3.56Å; W65-H95 AromaticContact CZ2-CG 3.66Å; W65-H95 AromaticContact CZ3-CD2 3.78Å; W65-H103 AromaticContact CD1-CE1 3.56Å; W65-H103 AromaticContact CD1-CG 3.9Å; W65-H103 AromaticContact CD1-ND1 3.38Å; W65-H103 AromaticContact CD2-CD2 3.56Å; W65-H103 AromaticContact CD2-CE1 3.63Å; W65-H103 AromaticContact CD2-CG 3.75Å; W65-H103 AromaticContact CD2-ND1 3.85Å; W65-H103 AromaticContact CD2-NE2 3.47Å; W65-H103 AromaticContact CE2-CD2 3.54Å; W65-H103 AromaticContact CE2-CE1 3.99Å; W65-H103 AromaticContact CE2-CG 3.36Å; W65-H103 AromaticContact CE2-ND1 3.72Å; W65-H103 AromaticContact CE2-NE2 3.93Å; W65-H103 AromaticContact CE3-CD2 3.81Å; W65-H103 AromaticContact CE3-NE2 3.73Å; W65-H103 AromaticContact CG-CE1 3.35Å; W65-H103 AromaticContact CG-ND1 3.66Å; W65-H103 AromaticContact CG-NE2 3.69Å; W65-H103 HydrophobicContact CZ2-CB 3.72Å; W65-H103 AromaticContact CZ2-CD2 3.8Å; W65-H103 AromaticContact CZ2-CG 3.75Å; W65-H103 AromaticContact NE1-CE1 3.93Å; W65-H103 AromaticContact NE1-CG 3.47Å; W65-H103 AromaticContact NE1-ND1 3.42Å; W65-H103 PolarHBondContact NE1-ND1 2.74Å
66	L	81.5	Confident	75.3	Confident	51 Å²	51	79 Å²	79	27%	0.267	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-79.2	150.4	174	-62.8	171.6	0	0	0	110.6	P60 Q64 S68 E69 E70	P60-L66 HydrophobicContact CB-CD2 3.94Å; P60-L66 HydrophobicContact CG-CD2 4.15Å; Q64-L66 PolarHBondContact O-N 3.48Å; L66-S68 PolarHBondContact O-N 3.5Å; L66-E69 HydrophobicContact CB-CB 4.23Å; L66-E69 HydrophobicContact CB-CG 3.94Å; L66-E69 HydrophobicContact CD1-CG 4.36Å; L66-E69 HydrophobicContact CG-CG 4.49Å; L66-E69 PolarHBondContact N-OE2 2.93Å; L66-E69 CarbonylContact O-C 3.53Å; L66-E69 WeakPolarHBondContact O-CA 3.42Å; L66-E69 WeakPolarHBondContact O-CB 3.25Å; L66-E69 PolarHBondContact O-N 3.28Å; L66-E70 PolarHBondContact O-N 2.93Å
67	L	80.7	Confident	76.8	Confident	110 Å²	110	71.2 Å²	71.2	58%	0.576	38%	0.383	S	S	*	.	H	α-helix	trans	-57.4	-35	172.3	179.2	62.5	0	0	0	112.2	E69 E70 L71	L67-E69 VanDerWaalsContact C-N 3.32Å; L67-E70 WeakPolarHBondContact O-CB 3.25Å; L67-E70 PolarHBondContact O-N 2.89Å; L67-L71 WeakPolarHBondContact O-CG 3.32Å; L67-L71 PolarHBondContact O-N 3.38Å
68	S	83.5	Confident	78.5	Confident	67 Å²	67	73.5 Å²	73.5	47%	0.469	40%	0.395	S	S	.	.	H	α-helix	trans	-67.4	-32.7	174.3	51.7	0	0	0	0	113	L66 K72	L66-S68 PolarHBondContact O-N 3.5Å; S68-K72 WeakPolarHBondContact O-CB 3.48Å; S68-K72 VanDerWaalsContact O-CG 3.26Å; S68-K72 WeakPolarHBondContact O-CG 3.46Å; S68-K72 PolarHBondContact O-N 3.48Å; S68-K72 VanDerWaalsContact O-N 3.16Å
69	E	88.5	Confident	80.3	Confident	30 Å²	30	76 Å²	76	14%	0.14	41%	0.412	C	S	.	.	H	α-helix	trans	-75.6	-37.4	174.7	-67.4	178	144.9	0	0	110.9	W65 L66 L67 K72 L73 L92 S94 H95	W65-E69 HydrophobicContact CE3-CB 4.02Å; W65-E69 HydrophobicContact CZ3-CB 4.27Å; L66-E69 HydrophobicContact CB-CB 4.23Å; L66-E69 HydrophobicContact CB-CG 3.94Å; L66-E69 HydrophobicContact CD1-CG 4.36Å; L66-E69 HydrophobicContact CG-CG 4.49Å; L66-E69 PolarHBondContact N-OE2 2.93Å; L66-E69 CarbonylContact O-C 3.53Å; L66-E69 WeakPolarHBondContact O-CA 3.42Å; L66-E69 WeakPolarHBondContact O-CB 3.25Å; L66-E69 PolarHBondContact O-N 3.28Å; L67-E69 VanDerWaalsContact C-N 3.32Å; E69-K72 PolarHBondContact O-N 3.06Å; E69-L73 WeakPolarHBondContact O-CB 3.31Å; E69-L73 PolarHBondContact O-N 3.18Å; E69-L92 WeakPolarHBondContact O-CD2 3.4Å; E69-S94 WeakPolarHBondContact OE1-CB 3.45Å; E69-S94 PolarHBondContact OE1-OG 3.33Å; E69-H95 VanDerWaalsContact CD-NE2 3.35Å; E69-H95 IonicContact OE1-NE2 3.81Å; E69-H95 IonicContact OE2-CD2 3.65Å; E69-H95 IonicContact OE2-CE1 2.84Å; E69-H95 IonicContact OE2-NE2 2.86Å; E69-H95 PolarHBondContact OE2-NE2 3.44Å
70	E	89.4	Confident	82.1	Confident	28 Å²	28	72.1 Å²	72.1	13%	0.131	39%	0.387	C	S	.	.	H	α-helix	trans	-58.6	-48.9	173.1	-168.9	63.1	-129.6	0	0	111.2	L66 L67 K72 L73 L74 H103 Y108	L66-E70 PolarHBondContact O-N 2.93Å; L67-E70 WeakPolarHBondContact O-CB 3.25Å; L67-E70 PolarHBondContact O-N 2.89Å; E70-K72 VanDerWaalsContact C-N 3.35Å; E70-K72 PolarHBondContact O-N 3.38Å; E70-L73 WeakPolarHBondContact O-CB 3.42Å; E70-L73 PolarHBondContact O-N 3.42Å; E70-L73 VanDerWaalsContact O-N 3.17Å; E70-L74 WeakPolarHBondContact O-CG 3.37Å; E70-L74 PolarHBondContact O-N 2.99Å; E70-H103 IonicContact OE1-NE2 3.66Å; E70-H103 IonicContact OE2-CD2 3.94Å; E70-H103 IonicContact OE2-CE1 2.78Å; E70-H103 IonicContact OE2-NE2 3.45Å; E70-H103 PolarHBondContact OE2-NE2 2.95Å; E70-Y108 WeakPolarHBondContact OE1-CE2 3.11Å; E70-Y108 PolarHBondContact OE1-OH 3.27Å; E70-Y108 VanDerWaalsContact OE1-OH 3.04Å
71	L	89.7	Confident	83.8	Confident	93 Å²	93	69.8 Å²	69.8	49%	0.487	37%	0.373	S	S	.	.	H	α-helix	trans	-61.3	-44.2	176.6	-71.8	173.2	0	0	0	111.5	L67 L73 L74 D75	L67-L71 WeakPolarHBondContact O-CG 3.32Å; L67-L71 PolarHBondContact O-N 3.38Å; L71-L73 VanDerWaalsContact C-N 3.29Å; L71-L73 PolarHBondContact O-N 3.45Å; L71-L74 PolarHBondContact O-N 3.23Å; L71-D75 WeakPolarHBondContact O-CB 3.38Å; L71-D75 VanDerWaalsContact O-CG 3.26Å; L71-D75 PolarHBondContact O-N 3.22Å
72	K	91.5	Very high	85.6	Confident	117 Å²	117	71 Å²	71	51%	0.509	37%	0.365	S	S	.	.	H	α-helix	trans	-62.2	-35.5	175.2	-76.5	176.4	-180	-176.2	0	112.7	S68 E69 E70 A76 L92	S68-K72 WeakPolarHBondContact O-CB 3.48Å; S68-K72 VanDerWaalsContact O-CG 3.26Å; S68-K72 WeakPolarHBondContact O-CG 3.46Å; S68-K72 PolarHBondContact O-N 3.48Å; S68-K72 VanDerWaalsContact O-N 3.16Å; E69-K72 PolarHBondContact O-N 3.06Å; E70-K72 VanDerWaalsContact C-N 3.35Å; E70-K72 PolarHBondContact O-N 3.38Å; K72-A76 WeakPolarHBondContact O-CB 3.43Å; K72-A76 PolarHBondContact O-N 3.31Å; K72-L92 HydrophobicContact CB-CD2 3.53Å
73	L	93.5	Very high	87.1	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-64.7	-45.8	176.9	171.4	69.4	0	0	0	110.1	W65 E69 E70 L71 A76 L77 I88 L92 C100	W65-L73 HydrophobicContact CH2-CB 4.32Å; W65-L73 HydrophobicContact CH2-CD1 4.23Å; W65-L73 HydrophobicContact CH2-CD2 3.77Å; W65-L73 HydrophobicContact CH2-CG 4.32Å; W65-L73 HydrophobicContact CZ3-CB 3.84Å; W65-L73 HydrophobicContact CZ3-CD2 3.7Å; W65-L73 HydrophobicContact CZ3-CG 4.24Å; E69-L73 WeakPolarHBondContact O-CB 3.31Å; E69-L73 PolarHBondContact O-N 3.18Å; E70-L73 WeakPolarHBondContact O-CB 3.42Å; E70-L73 PolarHBondContact O-N 3.42Å; E70-L73 VanDerWaalsContact O-N 3.17Å; L71-L73 VanDerWaalsContact C-N 3.29Å; L71-L73 PolarHBondContact O-N 3.45Å; L73-A76 PolarHBondContact O-N 3.08Å; L73-L77 HydrophobicContact CD1-CD1 4.16Å; L73-L77 HydrophobicContact CG-CD1 4.02Å; L73-L77 WeakPolarHBondContact O-CB 3.49Å; L73-L77 WeakPolarHBondContact O-CG 3.44Å; L73-L77 PolarHBondContact O-N 3.49Å; L73-I88 HydrophobicContact CD1-CG2 3.65Å; L73-L92 HydrophobicContact CB-CD1 4Å; L73-L92 HydrophobicContact CB-CD2 4.3Å; L73-L92 HydrophobicContact CD1-CD1 3.71Å; L73-L92 HydrophobicContact CG-CD1 4.47Å; L73-C100 HydrophobicContact CD1-CB 3.98Å
74	L	93.4	Very high	88.8	Confident	51 Å²	51	57.3 Å²	57.3	27%	0.267	30%	0.299	S	S	.	.	H	α-helix	trans	-65.6	-43.7	177.1	-64.2	176.8	0	0	0	111.8	E70 L71 A76 L77 D78 Y104 Y108	E70-L74 WeakPolarHBondContact O-CG 3.37Å; E70-L74 PolarHBondContact O-N 2.99Å; L71-L74 PolarHBondContact O-N 3.23Å; L74-A76 VanDerWaalsContact C-N 3.33Å; L74-A76 PolarHBondContact O-N 3.47Å; L74-L77 HydrophobicContact CD2-CD1 4.49Å; L74-L77 WeakPolarHBondContact O-CB 3.47Å; L74-L77 PolarHBondContact O-N 2.99Å; L74-D78 PolarHBondContact O-N 3.04Å; L74-Y104 HydrophobicContact CD2-CE2 4.34Å; L74-Y108 HydrophobicContact CD2-CE1 4.08Å; L74-Y108 HydrophobicContact CD2-CE2 4.28Å
75	D	93.4	Very high	89.8	Confident	100 Å²	100	53.5 Å²	53.5	54%	0.535	28%	0.28	S	S	.	.	H	α-helix	trans	-61.8	-40.9	176.1	-70.6	-19.8	0	0	0	111.7	L71 D78 T79	L71-D75 WeakPolarHBondContact O-CB 3.38Å; L71-D75 VanDerWaalsContact O-CG 3.26Å; L71-D75 PolarHBondContact O-N 3.22Å; D75-D78 PolarHBondContact O-N 3.22Å; D75-T79 WeakPolarHBondContact O-CB 3.5Å; D75-T79 PolarHBondContact O-N 3.05Å; D75-T79 PolarHBondContact O-OG1 3.47Å
76	A	93.9	Very high	90.3	Very high	3 Å²	3	55.5 Å²	55.5	3%	0.025	29%	0.294	C	S	.	.	H	α-helix	trans	-67.8	-38.8	175.4	0	0	0	0	0	111.6	K72 L73 L74 T79 Y80 I88 Q91	K72-A76 WeakPolarHBondContact O-CB 3.43Å; K72-A76 PolarHBondContact O-N 3.31Å; L73-A76 PolarHBondContact O-N 3.08Å; L74-A76 VanDerWaalsContact C-N 3.33Å; L74-A76 PolarHBondContact O-N 3.47Å; A76-T79 PolarHBondContact O-N 3.28Å; A76-Y80 HydrophobicContact CB-CD2 4.2Å; A76-Y80 HydrophobicContact CB-CE2 4.48Å; A76-Y80 WeakPolarHBondContact O-CB 3.36Å; A76-Y80 WeakPolarHBondContact O-CD2 3.35Å; A76-Y80 PolarHBondContact O-N 2.84Å; A76-I88 HydrophobicContact CB-CB 4.37Å; A76-I88 HydrophobicContact CB-CG1 4.28Å; A76-I88 HydrophobicContact CB-CG2 3.99Å; A76-Q91 HydrophobicContact CB-CB 4.29Å; A76-Q91 HydrophobicContact CB-CG 4.3Å
77	L	93.7	Very high	90.8	Very high	14 Å²	14	56.3 Å²	56.3	7%	0.073	30%	0.296	C	S	.	.	H	α-helix	trans	-64	-39.4	174.3	-86	163.7	0	0	0	112.4	L73 L74 T79 G81 Y82 W85 I88 Y104	L73-L77 HydrophobicContact CD1-CD1 4.16Å; L73-L77 HydrophobicContact CG-CD1 4.02Å; L73-L77 WeakPolarHBondContact O-CB 3.49Å; L73-L77 WeakPolarHBondContact O-CG 3.44Å; L73-L77 PolarHBondContact O-N 3.49Å; L74-L77 HydrophobicContact CD2-CD1 4.49Å; L74-L77 WeakPolarHBondContact O-CB 3.47Å; L74-L77 PolarHBondContact O-N 2.99Å; L77-T79 VanDerWaalsContact C-N 3.31Å; L77-G81 WeakPolarHBondContact O-CA 3.5Å; L77-G81 PolarHBondContact O-N 2.92Å; L77-Y82 HydrophobicContact CD2-CD2 4.45Å; L77-W85 HydrophobicContact CD2-CH2 3.97Å; L77-W85 HydrophobicContact CD2-CZ3 3.82Å; L77-W85 HydrophobicContact CG-CZ3 4.47Å; L77-I88 HydrophobicContact CD2-CD1 3.52Å; L77-I88 HydrophobicContact CG-CD1 3.94Å; L77-Y104 HydrophobicContact CD1-CD2 3.28Å; L77-Y104 HydrophobicContact CD1-CE2 3.45Å; L77-Y104 VanDerWaalsContact CD1-CE2 3.45Å; L77-Y104 HydrophobicContact CD1-CG 4Å
78	D	92.1	Very high	91.4	Very high	106 Å²	106	51.1 Å²	51.1	57%	0.567	27%	0.269	S	S	*	.	H	α-helix	trans	-66.4	-35.6	175.4	-84.4	-6.9	0	0	0	111.6	L74 D75	L74-D78 PolarHBondContact O-N 3.04Å; D75-D78 PolarHBondContact O-N 3.22Å
79	T	92.7	Very high	91.9	Very high	99 Å²	99	48.8 Å²	48.8	61%	0.607	25%	0.252	S	S	*	.	H	α-helix	trans	-77.7	-48.7	-179.4	-54.8	0	0	0	0	112.8	D75 A76 L77	D75-T79 WeakPolarHBondContact O-CB 3.5Å; D75-T79 PolarHBondContact O-N 3.05Å; D75-T79 PolarHBondContact O-OG1 3.47Å; A76-T79 PolarHBondContact O-N 3.28Å; L77-T79 VanDerWaalsContact C-N 3.31Å
80	Y	92.3	Very high	92	Very high	66 Å²	66	50.4 Å²	50.4	26%	0.259	27%	0.271	S	S	.	.	H	α-helix	trans	-98	-18.3	-172	-62.1	-67.2	0	0	0	113.6	A76 E87 I88 Q91 N765	A76-Y80 HydrophobicContact CB-CD2 4.2Å; A76-Y80 HydrophobicContact CB-CE2 4.48Å; A76-Y80 WeakPolarHBondContact O-CB 3.36Å; A76-Y80 WeakPolarHBondContact O-CD2 3.35Å; A76-Y80 PolarHBondContact O-N 2.84Å; Y80-E87 HydrophobicContact CD1-CB 3.82Å; Y80-E87 WeakPolarHBondContact CD1-OE2 3.3Å; Y80-E87 HydrophobicContact CD2-CB 4.31Å; Y80-E87 HydrophobicContact CE1-CB 4.08Å; Y80-E87 HydrophobicContact CG-CB 3.95Å; Y80-I88 HydrophobicContact CD2-CG1 4.24Å; Y80-Q91 HydrophobicContact CE2-CB 4.19Å; Y80-N765 VanDerWaalsContact O-CG 3.28Å; Y80-N765 PolarHBondContact O-ND2 2.98Å
81	G	88.9	Confident	92	Very high	9 Å²	9	54.4 Å²	54.4	9%	0.093	29%	0.29	C	S	.	.			trans	76.7	152.2	-177.3	0	0	0	0	0	114.8	L77 G83 N84	L77-G81 WeakPolarHBondContact O-CA 3.5Å; L77-G81 PolarHBondContact O-N 2.92Å; G81-G83 PolarHBondContact O-N 2.73Å; G81-N84 PolarHBondContact O-N 3.27Å
82	Y	90.7	Very high	91.9	Very high	85 Å²	85	50.4 Å²	50.4	33%	0.333	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	131.3	179.4	-177.3	-85.2	0	0	0	112.3	L77 W85 Y104 N105	L77-Y82 HydrophobicContact CD2-CD2 4.45Å; Y82-W85 AromaticContact CD2-CH2 3.7Å; Y82-W85 HydrophobicContact CD2-CH2 3.7Å; Y82-W85 AromaticContact CD2-CZ2 3.62Å; Y82-W85 HydrophobicContact CD2-CZ2 3.62Å; Y82-W85 HydrophobicContact CE1-CZ2 4.28Å; Y82-W85 AromaticContact CE2-CH2 3.61Å; Y82-W85 HydrophobicContact CE2-CH2 3.61Å; Y82-W85 AromaticContact CE2-CZ2 3.3Å; Y82-W85 HydrophobicContact CE2-CZ2 3.3Å; Y82-W85 HydrophobicContact CG-CZ2 4.24Å; Y82-W85 AromaticContact CZ-CZ2 3.65Å; Y82-Y104 AromaticContact CD2-CD1 3.96Å; Y82-Y104 HydrophobicContact CD2-CD1 3.96Å; Y82-Y104 AromaticContact CD2-CE1 3.64Å; Y82-Y104 HydrophobicContact CD2-CE1 3.64Å; Y82-Y104 AromaticContact CE2-CD1 3.61Å; Y82-Y104 HydrophobicContact CE2-CD1 3.61Å; Y82-Y104 AromaticContact CE2-CE1 3.58Å; Y82-Y104 HydrophobicContact CE2-CE1 3.58Å; Y82-N105 PolarHBondContact OH-OD1 3.04Å
83	G	87.9	Confident	91.4	Very high	26 Å²	26	53.1 Å²	53.1	27%	0.268	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	103.3	-16.3	-179.7	0	0	0	0	0	114.2	G81 W85	G81-G83 PolarHBondContact O-N 2.73Å; G83-W85 VanDerWaalsContact C-N 3.28Å; G83-W85 PolarHBondContact O-N 3.04Å
84	N	92.3	Very high	90.9	Very high	7 Å²	7	56 Å²	56	4%	0.037	30%	0.304	C	S	.	.			trans	-92.7	54.5	176.1	-161.1	3.5	0	0	0	112	G81 D86 E87 I88 N762	G81-N84 PolarHBondContact O-N 3.27Å; N84-D86 PolarHBondContact O-N 2.9Å; N84-E87 PolarHBondContact ND2-OE2 3.44Å; N84-E87 PolarHBondContact O-N 3.02Å; N84-I88 WeakPolarHBondContact O-CD1 3.46Å; N84-I88 WeakPolarHBondContact O-CG1 3.28Å; N84-I88 PolarHBondContact O-N 3.04Å; N84-I88 VanDerWaalsContact O-N 3.16Å; N84-N762 PolarHBondContact ND2-OD1 3.38Å; N84-N762 VanDerWaalsContact ND2-OD1 3.13Å
85	W	94.1	Very high	90.5	Very high	19 Å²	19	55.1 Å²	55.1	7%	0.072	30%	0.298	C	S	.	.	H	α-helix	trans	-64.8	-25.5	-170.9	-57.3	114.3	0	0	0	114.1	L77 Y82 G83 I88 S89 S97 C100 R101 Y104	L77-W85 HydrophobicContact CD2-CH2 3.97Å; L77-W85 HydrophobicContact CD2-CZ3 3.82Å; L77-W85 HydrophobicContact CG-CZ3 4.47Å; Y82-W85 AromaticContact CD2-CH2 3.7Å; Y82-W85 HydrophobicContact CD2-CH2 3.7Å; Y82-W85 AromaticContact CD2-CZ2 3.62Å; Y82-W85 HydrophobicContact CD2-CZ2 3.62Å; Y82-W85 HydrophobicContact CE1-CZ2 4.28Å; Y82-W85 AromaticContact CE2-CH2 3.61Å; Y82-W85 HydrophobicContact CE2-CH2 3.61Å; Y82-W85 AromaticContact CE2-CZ2 3.3Å; Y82-W85 HydrophobicContact CE2-CZ2 3.3Å; Y82-W85 HydrophobicContact CG-CZ2 4.24Å; Y82-W85 AromaticContact CZ-CZ2 3.65Å; G83-W85 VanDerWaalsContact C-N 3.28Å; G83-W85 PolarHBondContact O-N 3.04Å; W85-I88 HydrophobicContact CD2-CD1 4.45Å; W85-I88 HydrophobicContact CE3-CD1 3.76Å; W85-I88 HydrophobicContact CZ3-CD1 4.07Å; W85-S89 VanDerWaalsContact O-CB 3.31Å; W85-S89 WeakPolarHBondContact O-CB 3.36Å; W85-S89 PolarHBondContact O-N 3.38Å; W85-S89 PolarHBondContact O-OG 3.21Å; W85-S97 VanDerWaalsContact C-OG 3.26Å; W85-S97 WeakPolarHBondContact CB-OG 3.48Å; W85-S97 PolarHBondContact O-OG 2.92Å; W85-C100 HydrophobicContact CE3-CB 4.22Å; W85-R101 HydrophobicContact CD2-CB 3.64Å; W85-R101 HydrophobicContact CD2-CG 4.22Å; W85-R101 HydrophobicContact CE3-CB 4.08Å; W85-R101 HydrophobicContact CG-CB 3.98Å; W85-R101 HydrophobicContact CH2-CB 4.36Å; W85-R101 HydrophobicContact CZ2-CB 3.95Å; W85-R101 HydrophobicContact CZ2-CG 3.79Å; W85-R101 HydrophobicContact CZ3-CB 4.41Å; W85-Y104 HydrophobicContact CH2-CD1 4.04Å; W85-Y104 HydrophobicContact CH2-CG 4.11Å
86	D	92.9	Very high	90.4	Very high	85 Å²	85	53.5 Å²	53.5	46%	0.455	30%	0.295	S	S	.	.	H	α-helix	trans	-69.1	-39	178.2	-59.7	-27.7	0	0	0	111.4	N84 S89 A90 S97	N84-D86 PolarHBondContact O-N 2.9Å; D86-S89 PolarHBondContact O-OG 3.36Å; D86-S89 VanDerWaalsContact O-OG 3.13Å; D86-A90 WeakPolarHBondContact O-CB 3.49Å; D86-A90 PolarHBondContact O-N 3.07Å; D86-A90 VanDerWaalsContact O-N 3.16Å; D86-S97 PolarHBondContact N-OG 3.48Å; D86-S97 WeakPolarHBondContact OD1-CB 3.37Å; D86-S97 PolarHBondContact OD1-OG 3.27Å
87	E	92	Very high	90.4	Very high	68 Å²	68	54.7 Å²	54.7	32%	0.318	30%	0.303	S	S	.	.	H	α-helix	trans	-76.5	-36.4	175.4	-67.4	-177	177.2	0	0	111.6	Y80 N84 A90 Q91	Y80-E87 HydrophobicContact CD1-CB 3.82Å; Y80-E87 WeakPolarHBondContact CD1-OE2 3.3Å; Y80-E87 HydrophobicContact CD2-CB 4.31Å; Y80-E87 HydrophobicContact CE1-CB 4.08Å; Y80-E87 HydrophobicContact CG-CB 3.95Å; N84-E87 PolarHBondContact ND2-OE2 3.44Å; N84-E87 PolarHBondContact O-N 3.02Å; E87-A90 PolarHBondContact O-N 3.39Å; E87-Q91 PolarHBondContact O-N 3.35Å; E87-Q91 VanDerWaalsContact O-N 3.11Å
88	I	94	Very high	90.3	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-62.4	-48.3	175.8	-67.1	163	0	0	0	111.1	L73 A76 L77 Y80 N84 W85 A90 Q91 L92 C100	L73-I88 HydrophobicContact CD1-CG2 3.65Å; A76-I88 HydrophobicContact CB-CB 4.37Å; A76-I88 HydrophobicContact CB-CG1 4.28Å; A76-I88 HydrophobicContact CB-CG2 3.99Å; L77-I88 HydrophobicContact CD2-CD1 3.52Å; L77-I88 HydrophobicContact CG-CD1 3.94Å; Y80-I88 HydrophobicContact CD2-CG1 4.24Å; N84-I88 WeakPolarHBondContact O-CD1 3.46Å; N84-I88 WeakPolarHBondContact O-CG1 3.28Å; N84-I88 PolarHBondContact O-N 3.04Å; N84-I88 VanDerWaalsContact O-N 3.16Å; W85-I88 HydrophobicContact CD2-CD1 4.45Å; W85-I88 HydrophobicContact CE3-CD1 3.76Å; W85-I88 HydrophobicContact CZ3-CD1 4.07Å; I88-A90 VanDerWaalsContact C-N 3.32Å; I88-A90 PolarHBondContact O-N 3.11Å; I88-Q91 PolarHBondContact O-N 3.47Å; I88-L92 HydrophobicContact CG2-CD1 3.99Å; I88-L92 PolarHBondContact O-N 3.47Å; I88-L92 VanDerWaalsContact O-N 3.1Å; I88-C100 HydrophobicContact CG2-CB 4.46Å
89	S	92.8	Very high	90.3	Very high	18 Å²	18	58.5 Å²	58.5	13%	0.126	32%	0.32	C	S	.	.	H	α-helix	trans	-65.7	-34.5	176.8	54.7	0	0	0	0	112.4	W85 D86 Q91 L92 Q93 H95	W85-S89 VanDerWaalsContact O-CB 3.31Å; W85-S89 WeakPolarHBondContact O-CB 3.36Å; W85-S89 PolarHBondContact O-N 3.38Å; W85-S89 PolarHBondContact O-OG 3.21Å; D86-S89 PolarHBondContact O-OG 3.36Å; D86-S89 VanDerWaalsContact O-OG 3.13Å; S89-Q91 VanDerWaalsContact C-N 3.28Å; S89-Q91 PolarHBondContact O-N 3.06Å; S89-L92 PolarHBondContact O-N 3.33Å; S89-Q93 PolarHBondContact O-N 2.98Å; S89-H95 WeakPolarHBondContact CB-O 3.31Å
90	A	91.3	Very high	90.3	Very high	64 Å²	64	53.8 Å²	53.8	53%	0.529	29%	0.292	S	S	.	.	H	α-helix	trans	-63.6	-32.1	173.9	0	0	0	0	0	113.1	D86 E87 I88 Q93	D86-A90 WeakPolarHBondContact O-CB 3.49Å; D86-A90 PolarHBondContact O-N 3.07Å; D86-A90 VanDerWaalsContact O-N 3.16Å; E87-A90 PolarHBondContact O-N 3.39Å; I88-A90 VanDerWaalsContact C-N 3.32Å; I88-A90 PolarHBondContact O-N 3.11Å; A90-Q93 VanDerWaalsContact O-CG 3.23Å; A90-Q93 WeakPolarHBondContact O-CG 3.19Å
91	Q	89.1	Confident	90.3	Very high	112 Å²	112	56.6 Å²	56.6	52%	0.523	30%	0.302	S	S	.	.	H	α-helix	trans	-76.1	-37.3	175.6	-173.3	65.3	13.1	0	0	112.4	A76 Y80 E87 I88 S89	A76-Q91 HydrophobicContact CB-CB 4.29Å; A76-Q91 HydrophobicContact CB-CG 4.3Å; Y80-Q91 HydrophobicContact CE2-CB 4.19Å; E87-Q91 PolarHBondContact O-N 3.35Å; E87-Q91 VanDerWaalsContact O-N 3.11Å; I88-Q91 PolarHBondContact O-N 3.47Å; S89-Q91 VanDerWaalsContact C-N 3.28Å; S89-Q91 PolarHBondContact O-N 3.06Å
92	L	86.7	Confident	90.5	Very high	10 Å²	10	60.8 Å²	60.8	5%	0.052	32%	0.322	C	S	.	.	H	α-helix	trans	-72.8	-38.8	177.6	-77.1	161	0	0	0	112.6	W65 E69 K72 L73 I88 S89 S94 C100	W65-L92 HydrophobicContact CH2-CD1 4.19Å; W65-L92 HydrophobicContact CZ3-CD1 4.5Å; E69-L92 WeakPolarHBondContact O-CD2 3.4Å; K72-L92 HydrophobicContact CB-CD2 3.53Å; L73-L92 HydrophobicContact CB-CD1 4Å; L73-L92 HydrophobicContact CB-CD2 4.3Å; L73-L92 HydrophobicContact CD1-CD1 3.71Å; L73-L92 HydrophobicContact CG-CD1 4.47Å; I88-L92 HydrophobicContact CG2-CD1 3.99Å; I88-L92 PolarHBondContact O-N 3.47Å; I88-L92 VanDerWaalsContact O-N 3.1Å; S89-L92 PolarHBondContact O-N 3.33Å; L92-S94 PolarHBondContact O-N 2.97Å; L92-C100 WeakPolarHBondContact CD1-SG 3.34Å
93	Q	82.4	Confident	90.5	Very high	173 Å²	173	57.5 Å²	57.5	81%	0.808	31%	0.309	S	S	*	.	S	Bend	trans	61.5	-24.8	-177	-56.8	177.3	10.8	0	0	115.9	S89 A90	S89-Q93 PolarHBondContact O-N 2.98Å; A90-Q93 VanDerWaalsContact O-CG 3.23Å; A90-Q93 WeakPolarHBondContact O-CG 3.19Å
94	S	82	Confident	90.7	Very high	62 Å²	62	58.9 Å²	58.9	43%	0.434	31%	0.307	S	S	.	.	S	Bend	trans	-82.1	-35.7	180	51.8	0	0	0	0	113.7	E69 L92	E69-S94 WeakPolarHBondContact OE1-CB 3.45Å; E69-S94 PolarHBondContact OE1-OG 3.33Å; L92-S94 PolarHBondContact O-N 2.97Å
95	H	86.1	Confident	90.7	Very high	32 Å²	32	60.1 Å²	60.1	15%	0.148	31%	0.314	C	S	.	.	S	Bend	trans	-114.1	146.5	-172.1	-64	-57.6	0	0	0	112.5	W65 E69 S89 D99	W65-H95 AromaticContact CD2-NE2 3.88Å; W65-H95 AromaticContact CE2-CD2 3.76Å; W65-H95 AromaticContact CE2-NE2 3.89Å; W65-H95 HydrophobicContact CH2-CB 4.16Å; W65-H95 AromaticContact CH2-CD2 3.56Å; W65-H95 AromaticContact CH2-CG 3.98Å; W65-H95 HydrophobicContact CZ2-CB 3.95Å; W65-H95 AromaticContact CZ2-CD2 3.56Å; W65-H95 AromaticContact CZ2-CG 3.66Å; W65-H95 AromaticContact CZ3-CD2 3.78Å; E69-H95 VanDerWaalsContact CD-NE2 3.35Å; E69-H95 IonicContact OE1-NE2 3.81Å; E69-H95 IonicContact OE2-CD2 3.65Å; E69-H95 IonicContact OE2-CE1 2.84Å; E69-H95 IonicContact OE2-NE2 2.86Å; E69-H95 PolarHBondContact OE2-NE2 3.44Å; S89-H95 WeakPolarHBondContact CB-O 3.31Å; H95-D99 IonicContact CG-OD2 3.04Å; H95-D99 IonicContact ND1-OD2 3.23Å; H95-D99 PolarHBondContact ND1-OD2 3.31Å
96	S	90.6	Very high	90.5	Very high	66 Å²	66	65.8 Å²	65.8	46%	0.462	34%	0.339	S	S	.	.			trans	-72.3	158.1	177.6	76.8	0	0	0	0	112	M98 D99 C100	S96-M98 VanDerWaalsContact C-N 3.26Å; S96-M98 PolarHBondContact O-N 2.92Å; S96-D99 PolarHBondContact O-N 3.37Å; S96-D99 VanDerWaalsContact O-N 3.1Å; S96-D99 WeakPolarHBondContact OG-CB 3.43Å; S96-D99 PolarHBondContact OG-N 3.49Å; S96-C100 PolarHBondContact O-N 3.23Å; S96-C100 PolarHBondContact O-SG 2.97Å
97	S	93	Very high	90.2	Very high	27 Å²	27	65.9 Å²	65.9	19%	0.189	34%	0.335	C	S	.	.	H	α-helix	trans	-52.6	-42.2	176	178.1	0	0	0	0	112.6	W85 D86 R101	W85-S97 VanDerWaalsContact C-OG 3.26Å; W85-S97 WeakPolarHBondContact CB-OG 3.48Å; W85-S97 PolarHBondContact O-OG 2.92Å; D86-S97 PolarHBondContact N-OG 3.48Å; D86-S97 WeakPolarHBondContact OD1-CB 3.37Å; D86-S97 PolarHBondContact OD1-OG 3.27Å; S97-R101 PolarHBondContact O-N 3.34Å
98	M	92.8	Very high	90	Very high	139 Å²	139	65.7 Å²	65.7	69%	0.685	33%	0.332	S	S	*	.	H	α-helix	trans	-70.4	-40.8	176.8	-73.3	179.6	-75.7	0	0	112.2	S96 R101 D102	S96-M98 VanDerWaalsContact C-N 3.26Å; S96-M98 PolarHBondContact O-N 2.92Å; M98-R101 WeakPolarHBondContact O-CB 3.4Å; M98-R101 PolarHBondContact O-N 2.96Å; M98-D102 WeakPolarHBondContact O-CB 3.2Å; M98-D102 PolarHBondContact O-N 3.47Å
99	D	92	Very high	89.6	Confident	62 Å²	62	71.2 Å²	71.2	33%	0.332	36%	0.359	S	S	.	.	H	α-helix	trans	-66.2	-42.2	180	-170.5	39.3	0	0	0	112	H95 S96 R101 D102 H103	H95-D99 IonicContact CG-OD2 3.04Å; H95-D99 IonicContact ND1-OD2 3.23Å; H95-D99 PolarHBondContact ND1-OD2 3.31Å; S96-D99 PolarHBondContact O-N 3.37Å; S96-D99 VanDerWaalsContact O-N 3.1Å; S96-D99 WeakPolarHBondContact OG-CB 3.43Å; S96-D99 PolarHBondContact OG-N 3.49Å; D99-R101 VanDerWaalsContact C-N 3.28Å; D99-R101 PolarHBondContact O-N 3.48Å; D99-D102 PolarHBondContact O-N 3.32Å; D99-H103 WeakPolarHBondContact O-CB 3.23Å; D99-H103 PolarHBondContact O-N 2.91Å
100	C	92.8	Very high	89.2	Confident	0 Å²	0	74.2 Å²	74.2	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-57.3	-42.6	173.4	-63.1	0	0	0	0	111.9	L73 W85 I88 L92 S96 Y104	L73-C100 HydrophobicContact CD1-CB 3.98Å; W85-C100 HydrophobicContact CE3-CB 4.22Å; I88-C100 HydrophobicContact CG2-CB 4.46Å; L92-C100 WeakPolarHBondContact CD1-SG 3.34Å; S96-C100 PolarHBondContact O-N 3.23Å; S96-C100 PolarHBondContact O-SG 2.97Å; C100-Y104 WeakPolarHBondContact O-CB 3.3Å; C100-Y104 PolarHBondContact O-N 3.28Å
101	R	92.6	Very high	88.7	Confident	125 Å²	125	71.8 Å²	71.8	47%	0.472	36%	0.361	S	S	.	.	H	α-helix	trans	-65.2	-49.2	177.8	175.2	-178.7	176.9	-175.8	-3.2	111.5	W85 S97 M98 D99 Y104 N105	W85-R101 HydrophobicContact CD2-CB 3.64Å; W85-R101 HydrophobicContact CD2-CG 4.22Å; W85-R101 HydrophobicContact CE3-CB 4.08Å; W85-R101 HydrophobicContact CG-CB 3.98Å; W85-R101 HydrophobicContact CH2-CB 4.36Å; W85-R101 HydrophobicContact CZ2-CB 3.95Å; W85-R101 HydrophobicContact CZ2-CG 3.79Å; W85-R101 HydrophobicContact CZ3-CB 4.41Å; S97-R101 PolarHBondContact O-N 3.34Å; M98-R101 WeakPolarHBondContact O-CB 3.4Å; M98-R101 PolarHBondContact O-N 2.96Å; D99-R101 VanDerWaalsContact C-N 3.28Å; D99-R101 PolarHBondContact O-N 3.48Å; R101-Y104 PolarHBondContact O-N 3.31Å; R101-N105 WeakPolarHBondContact CG-ND2 3.39Å; R101-N105 WeakPolarHBondContact O-CB 3.3Å; R101-N105 VanDerWaalsContact O-CG 3.25Å; R101-N105 PolarHBondContact O-N 2.97Å; R101-N105 PolarHBondContact O-ND2 2.7Å
102	D	92.2	Very high	88.3	Confident	96 Å²	96	70.8 Å²	70.8	51%	0.513	36%	0.363	S	S	.	.	H	α-helix	trans	-69.9	-39.4	-174.3	-71.1	-14.4	0	0	0	110.7	M98 D99 N105 K106	M98-D102 WeakPolarHBondContact O-CB 3.2Å; M98-D102 PolarHBondContact O-N 3.47Å; D99-D102 PolarHBondContact O-N 3.32Å; D102-N105 PolarHBondContact O-N 2.91Å; D102-K106 WeakPolarHBondContact O-CB 3.12Å; D102-K106 PolarHBondContact O-N 2.85Å
103	H	91.5	Very high	88	Confident	16 Å²	16	73.5 Å²	73.5	7%	0.074	38%	0.376	C	S	.	.	H	α-helix	trans	-59.3	-52.7	171.6	-177.6	74.4	0	0	0	111.8	W65 E70 D99 N105 K106 F107	W65-H103 AromaticContact CD1-CE1 3.56Å; W65-H103 AromaticContact CD1-CG 3.9Å; W65-H103 AromaticContact CD1-ND1 3.38Å; W65-H103 AromaticContact CD2-CD2 3.56Å; W65-H103 AromaticContact CD2-CE1 3.63Å; W65-H103 AromaticContact CD2-CG 3.75Å; W65-H103 AromaticContact CD2-ND1 3.85Å; W65-H103 AromaticContact CD2-NE2 3.47Å; W65-H103 AromaticContact CE2-CD2 3.54Å; W65-H103 AromaticContact CE2-CE1 3.99Å; W65-H103 AromaticContact CE2-CG 3.36Å; W65-H103 AromaticContact CE2-ND1 3.72Å; W65-H103 AromaticContact CE2-NE2 3.93Å; W65-H103 AromaticContact CE3-CD2 3.81Å; W65-H103 AromaticContact CE3-NE2 3.73Å; W65-H103 AromaticContact CG-CE1 3.35Å; W65-H103 AromaticContact CG-ND1 3.66Å; W65-H103 AromaticContact CG-NE2 3.69Å; W65-H103 HydrophobicContact CZ2-CB 3.72Å; W65-H103 AromaticContact CZ2-CD2 3.8Å; W65-H103 AromaticContact CZ2-CG 3.75Å; W65-H103 AromaticContact NE1-CE1 3.93Å; W65-H103 AromaticContact NE1-CG 3.47Å; W65-H103 AromaticContact NE1-ND1 3.42Å; W65-H103 PolarHBondContact NE1-ND1 2.74Å; E70-H103 IonicContact OE1-NE2 3.66Å; E70-H103 IonicContact OE2-CD2 3.94Å; E70-H103 IonicContact OE2-CE1 2.78Å; E70-H103 IonicContact OE2-NE2 3.45Å; E70-H103 PolarHBondContact OE2-NE2 2.95Å; D99-H103 WeakPolarHBondContact O-CB 3.23Å; D99-H103 PolarHBondContact O-N 2.91Å; H103-N105 VanDerWaalsContact C-N 3.32Å; H103-N105 PolarHBondContact O-N 3.03Å; H103-K106 PolarHBondContact O-N 3.32Å; H103-F107 AromaticContact CE1-CD2 3.32Å; H103-F107 WeakPolarHBondContact CE1-CD2 3.48Å; H103-F107 AromaticContact CE1-CE2 3.28Å; H103-F107 WeakPolarHBondContact CE1-CE2 3.49Å; H103-F107 AromaticContact ND1-CD2 3.37Å; H103-F107 WeakPolarHBondContact ND1-CD2 3.37Å; H103-F107 AromaticContact ND1-CE2 3.25Å; H103-F107 WeakPolarHBondContact ND1-CE2 3.21Å; H103-F107 AromaticContact NE2-CD2 3.91Å; H103-F107 WeakPolarHBondContact O-CD2 3.44Å; H103-F107 PolarHBondContact O-N 3.5Å
104	Y	92.1	Very high	87.9	Confident	56 Å²	56	70.3 Å²	70.3	22%	0.22	36%	0.36	C	S	.	.	H	α-helix	trans	-58.9	-44.9	177.8	-178.1	-92	0	0	0	111.8	L74 L77 Y82 W85 C100 R101 K106 Y108 M109	L74-Y104 HydrophobicContact CD2-CE2 4.34Å; L77-Y104 HydrophobicContact CD1-CD2 3.28Å; L77-Y104 HydrophobicContact CD1-CE2 3.45Å; L77-Y104 VanDerWaalsContact CD1-CE2 3.45Å; L77-Y104 HydrophobicContact CD1-CG 4Å; Y82-Y104 AromaticContact CD2-CD1 3.96Å; Y82-Y104 HydrophobicContact CD2-CD1 3.96Å; Y82-Y104 AromaticContact CD2-CE1 3.64Å; Y82-Y104 HydrophobicContact CD2-CE1 3.64Å; Y82-Y104 AromaticContact CE2-CD1 3.61Å; Y82-Y104 HydrophobicContact CE2-CD1 3.61Å; Y82-Y104 AromaticContact CE2-CE1 3.58Å; Y82-Y104 HydrophobicContact CE2-CE1 3.58Å; W85-Y104 HydrophobicContact CH2-CD1 4.04Å; W85-Y104 HydrophobicContact CH2-CG 4.11Å; C100-Y104 WeakPolarHBondContact O-CB 3.3Å; C100-Y104 PolarHBondContact O-N 3.28Å; R101-Y104 PolarHBondContact O-N 3.31Å; Y104-K106 PolarHBondContact O-N 3.4Å; Y104-Y108 AromaticContact CD2-CD2 3.56Å; Y104-Y108 HydrophobicContact CD2-CD2 3.56Å; Y104-Y108 HydrophobicContact CD2-CE2 4.28Å; Y104-Y108 AromaticContact CD2-CG 3.9Å; Y104-Y108 HydrophobicContact CD2-CG 3.9Å; Y104-Y108 HydrophobicContact CE2-CD1 4.33Å; Y104-Y108 AromaticContact CE2-CD2 3.86Å; Y104-Y108 HydrophobicContact CE2-CD2 3.86Å; Y104-Y108 AromaticContact CE2-CG 3.7Å; Y104-Y108 HydrophobicContact CE2-CG 3.7Å; Y104-Y108 HydrophobicContact CG-CD2 4.23Å; Y104-Y108 WeakPolarHBondContact O-CA 3.5Å; Y104-Y108 WeakPolarHBondContact O-CB 3.33Å; Y104-Y108 PolarHBondContact O-N 2.99Å; Y104-M109 PolarHBondContact O-N 3.44Å
105	N	91.5	Very high	87.9	Confident	33 Å²	33	73.5 Å²	73.5	18%	0.176	37%	0.368	C	S	.	.	I	π-helix	trans	-62.8	-44.9	178.8	-75.7	-36.9	0	0	0	111.6	Y82 R101 D102 H103 F107 M109 S110	Y82-N105 PolarHBondContact OH-OD1 3.04Å; R101-N105 WeakPolarHBondContact CG-ND2 3.39Å; R101-N105 WeakPolarHBondContact O-CB 3.3Å; R101-N105 VanDerWaalsContact O-CG 3.25Å; R101-N105 PolarHBondContact O-N 2.97Å; R101-N105 PolarHBondContact O-ND2 2.7Å; D102-N105 PolarHBondContact O-N 2.91Å; H103-N105 VanDerWaalsContact C-N 3.32Å; H103-N105 PolarHBondContact O-N 3.03Å; N105-F107 PolarHBondContact O-N 2.96Å; N105-M109 HydrophobicContact CB-CB 4.44Å; N105-M109 CarbonylContact O-C 3.58Å; N105-M109 WeakPolarHBondContact O-CA 3.44Å; N105-M109 WeakPolarHBondContact O-CB 3.33Å; N105-M109 PolarHBondContact O-N 3.34Å; N105-M109 VanDerWaalsContact O-N 3.1Å; N105-S110 PolarHBondContact O-N 2.8Å; N105-S110 PolarHBondContact O-OG 3.16Å
106	K	89.4	Confident	87.5	Confident	137 Å²	137	77.4 Å²	77.4	60%	0.596	39%	0.389	S	S	*	.	I	π-helix	trans	-60.7	-43	-178.8	-176.8	179	178.4	-178	0	112.5	D102 H103 Y104 G111	D102-K106 WeakPolarHBondContact O-CB 3.12Å; D102-K106 PolarHBondContact O-N 2.85Å; H103-K106 PolarHBondContact O-N 3.32Å; Y104-K106 PolarHBondContact O-N 3.4Å; K106-G111 WeakPolarHBondContact O-CA 3.34Å; K106-G111 PolarHBondContact O-N 2.88Å
107	F	86.4	Confident	86.7	Confident	88 Å²	88	80 Å²	80	39%	0.386	40%	0.396	S	S	.	.	I	π-helix	trans	-93	-41.2	-175.3	-71.7	-78	0	0	0	113.8	H103 N105 G111 M113	H103-F107 AromaticContact CE1-CD2 3.32Å; H103-F107 WeakPolarHBondContact CE1-CD2 3.48Å; H103-F107 AromaticContact CE1-CE2 3.28Å; H103-F107 WeakPolarHBondContact CE1-CE2 3.49Å; H103-F107 AromaticContact ND1-CD2 3.37Å; H103-F107 WeakPolarHBondContact ND1-CD2 3.37Å; H103-F107 AromaticContact ND1-CE2 3.25Å; H103-F107 WeakPolarHBondContact ND1-CE2 3.21Å; H103-F107 AromaticContact NE2-CD2 3.91Å; H103-F107 WeakPolarHBondContact O-CD2 3.44Å; H103-F107 PolarHBondContact O-N 3.5Å; N105-F107 PolarHBondContact O-N 2.96Å; F107-G111 WeakPolarHBondContact O-CA 3.35Å; F107-M113 VanDerWaalsContact O-CB 3.26Å; F107-M113 WeakPolarHBondContact O-CB 3.35Å; F107-M113 PolarHBondContact O-N 3.4Å
108	Y	88.6	Confident	85.5	Confident	64 Å²	64	83.4 Å²	83.4	25%	0.251	42%	0.418	S	S	.	.	I	π-helix	trans	-97.5	-33.8	-173.3	-65	-90.5	0	0	0	114.3	E70 L74 Y104 M113	E70-Y108 WeakPolarHBondContact OE1-CE2 3.11Å; E70-Y108 PolarHBondContact OE1-OH 3.27Å; E70-Y108 VanDerWaalsContact OE1-OH 3.04Å; L74-Y108 HydrophobicContact CD2-CE1 4.08Å; L74-Y108 HydrophobicContact CD2-CE2 4.28Å; Y104-Y108 AromaticContact CD2-CD2 3.56Å; Y104-Y108 HydrophobicContact CD2-CD2 3.56Å; Y104-Y108 HydrophobicContact CD2-CE2 4.28Å; Y104-Y108 AromaticContact CD2-CG 3.9Å; Y104-Y108 HydrophobicContact CD2-CG 3.9Å; Y104-Y108 HydrophobicContact CE2-CD1 4.33Å; Y104-Y108 AromaticContact CE2-CD2 3.86Å; Y104-Y108 HydrophobicContact CE2-CD2 3.86Å; Y104-Y108 AromaticContact CE2-CG 3.7Å; Y104-Y108 HydrophobicContact CE2-CG 3.7Å; Y104-Y108 HydrophobicContact CG-CD2 4.23Å; Y104-Y108 WeakPolarHBondContact O-CA 3.5Å; Y104-Y108 WeakPolarHBondContact O-CB 3.33Å; Y104-Y108 PolarHBondContact O-N 2.99Å; Y108-M113 HydrophobicContact CD1-CB 4.35Å; Y108-M113 HydrophobicContact CD1-CG 3.89Å; Y108-M113 HydrophobicContact CE1-CG 4.26Å
109	M	85.2	Confident	84	Confident	115 Å²	115	79.5 Å²	79.5	57%	0.567	40%	0.404	S	S	*	.	I	π-helix	trans	-99.5	-35	-173.6	-164.4	62	177.6	0	0	113.9	Y104 N105 K114	Y104-M109 PolarHBondContact O-N 3.44Å; N105-M109 HydrophobicContact CB-CB 4.44Å; N105-M109 CarbonylContact O-C 3.58Å; N105-M109 WeakPolarHBondContact O-CA 3.44Å; N105-M109 WeakPolarHBondContact O-CB 3.33Å; N105-M109 PolarHBondContact O-N 3.34Å; N105-M109 VanDerWaalsContact O-N 3.1Å; M109-K114 WeakPolarHBondContact O-CD 3.39Å; M109-K114 WeakPolarHBondContact O-CE 3.29Å; M109-K114 VanDerWaalsContact O-CG 3.24Å; M109-K114 WeakPolarHBondContact O-CG 3.39Å
110	S	83.7	Confident	82.2	Confident	82 Å²	82	82.9 Å²	82.9	57%	0.573	43%	0.43	S	S	*	.	S	Bend	trans	-120.7	-2.9	178.3	62.8	0	0	0	0	113.6	N105	N105-S110 PolarHBondContact O-N 2.8Å; N105-S110 PolarHBondContact O-OG 3.16Å
111	G	81	Confident	80.3	Confident	12 Å²	12	88.2 Å²	88.2	12%	0.124	47%	0.465	C	S	.	.	S	Bend	trans	-94.9	-170	-173.3	0	0	0	0	0	114.3	K106 F107 M113 K114 E115	K106-G111 WeakPolarHBondContact O-CA 3.34Å; K106-G111 PolarHBondContact O-N 2.88Å; F107-G111 WeakPolarHBondContact O-CA 3.35Å; G111-M113 PolarHBondContact O-N 3.29Å; G111-M113 VanDerWaalsContact O-N 3.15Å; G111-K114 VanDerWaalsContact O-CB 3.32Å; G111-K114 WeakPolarHBondContact O-CB 3.49Å; G111-K114 PolarHBondContact O-N 2.91Å; G111-E115 PolarHBondContact O-N 2.97Å
112	T	81.4	Confident	78.6	Confident	91 Å²	91	86 Å²	86	56%	0.558	47%	0.469	S	S	*	.	H	α-helix	trans	-53.3	-34.8	177.2	51.8	0	0	0	0	112.5	K114 E115 L116	T112-K114 VanDerWaalsContact C-N 3.35Å; T112-K114 PolarHBondContact O-N 2.99Å; T112-E115 PolarHBondContact O-N 3.4Å; T112-L116 WeakPolarHBondContact O-CB 3.25Å; T112-L116 VanDerWaalsContact O-CG 3.28Å; T112-L116 WeakPolarHBondContact O-CG 3.43Å; T112-L116 PolarHBondContact O-N 3.46Å
113	M	79.5	Confident	77.1	Confident	68 Å²	68	85.7 Å²	85.7	34%	0.335	48%	0.475	S	S	.	.	H	α-helix	trans	-66.5	-38.1	179	-166.6	62.8	179.9	0	0	111.6	F107 Y108 G111 E115 L116 M117	F107-M113 VanDerWaalsContact O-CB 3.26Å; F107-M113 WeakPolarHBondContact O-CB 3.35Å; F107-M113 PolarHBondContact O-N 3.4Å; Y108-M113 HydrophobicContact CD1-CB 4.35Å; Y108-M113 HydrophobicContact CD1-CG 3.89Å; Y108-M113 HydrophobicContact CE1-CG 4.26Å; G111-M113 PolarHBondContact O-N 3.29Å; G111-M113 VanDerWaalsContact O-N 3.15Å; M113-E115 VanDerWaalsContact C-N 3.32Å; M113-E115 PolarHBondContact O-N 2.84Å; M113-L116 PolarHBondContact O-N 3.35Å; M113-M117 HydrophobicContact CE-CE 3.43Å; M113-M117 VanDerWaalsContact CE-CE 3.43Å; M113-M117 HydrophobicContact CE-CG 3.65Å; M113-M117 HydrophobicContact CE-SD 3.5Å; M113-M117 VanDerWaalsContact CE-SD 3.5Å; M113-M117 HydrophobicContact CG-CG 4.07Å; M113-M117 VanDerWaalsContact O-CB 3.29Å; M113-M117 WeakPolarHBondContact O-CB 3.35Å; M113-M117 WeakPolarHBondContact O-CG 3.41Å; M113-M117 PolarHBondContact O-N 3.5Å; M113-M117 HydrophobicContact SD-CE 3.81Å; M113-M117 HydrophobicContact SD-CG 4.1Å; M113-M117 HydrophobicContact SD-SD 4.43Å
114	K	81.4	Confident	75.3	Confident	105 Å²	105	90.1 Å²	90.1	46%	0.457	51%	0.505	S	S	.	.	H	α-helix	trans	-60.9	-44.8	173.7	-171.4	-139.9	-166.3	170.3	0	110.4	M109 G111 T112 M117 C118	M109-K114 WeakPolarHBondContact O-CD 3.39Å; M109-K114 WeakPolarHBondContact O-CE 3.29Å; M109-K114 VanDerWaalsContact O-CG 3.24Å; M109-K114 WeakPolarHBondContact O-CG 3.39Å; G111-K114 VanDerWaalsContact O-CB 3.32Å; G111-K114 WeakPolarHBondContact O-CB 3.49Å; G111-K114 PolarHBondContact O-N 2.91Å; T112-K114 VanDerWaalsContact C-N 3.35Å; T112-K114 PolarHBondContact O-N 2.99Å; K114-M117 PolarHBondContact O-N 3.29Å; K114-C118 WeakPolarHBondContact O-CA 3.28Å; K114-C118 WeakPolarHBondContact O-CB 3.49Å; K114-C118 PolarHBondContact O-N 2.88Å
115	E	81.4	Confident	73.8	Confident	130 Å²	130	96.2 Å²	96.2	61%	0.607	53%	0.533	S	S	*	.	H	α-helix	trans	-64.6	-41.1	179.1	-64.3	175.3	170.6	0	0	111.9	G111 T112 M113 S119	G111-E115 PolarHBondContact O-N 2.97Å; T112-E115 PolarHBondContact O-N 3.4Å; M113-E115 VanDerWaalsContact C-N 3.32Å; M113-E115 PolarHBondContact O-N 2.84Å; E115-S119 WeakPolarHBondContact O-CB 3.49Å; E115-S119 PolarHBondContact O-N 3.37Å; E115-S119 PolarHBondContact O-OG 2.82Å
116	L	77.6	Confident	72.4	Confident	113 Å²	113	100.3 Å²	100.3	59%	0.592	56%	0.559	S	S	*	*	H	α-helix	trans	-69.6	-39.5	177.1	-70.4	170.6	0	0	0	112.8	T112 M113 S119	T112-L116 WeakPolarHBondContact O-CB 3.25Å; T112-L116 VanDerWaalsContact O-CG 3.28Å; T112-L116 WeakPolarHBondContact O-CG 3.43Å; T112-L116 PolarHBondContact O-N 3.46Å; M113-L116 PolarHBondContact O-N 3.35Å; L116-S119 WeakPolarHBondContact O-CB 3.27Å
117	M	74.7	Confident	71.3	Confident	122 Å²	122	101.6 Å²	101.6	60%	0.601	57%	0.565	S	S	*	*	H	α-helix	trans	-81.8	-25.1	-179.6	-62.8	-57	104.9	0	0	113	M113 K114	M113-M117 HydrophobicContact CE-CE 3.43Å; M113-M117 VanDerWaalsContact CE-CE 3.43Å; M113-M117 HydrophobicContact CE-CG 3.65Å; M113-M117 HydrophobicContact CE-SD 3.5Å; M113-M117 VanDerWaalsContact CE-SD 3.5Å; M113-M117 HydrophobicContact CG-CG 4.07Å; M113-M117 VanDerWaalsContact O-CB 3.29Å; M113-M117 WeakPolarHBondContact O-CB 3.35Å; M113-M117 WeakPolarHBondContact O-CG 3.41Å; M113-M117 PolarHBondContact O-N 3.5Å; M113-M117 HydrophobicContact SD-CE 3.81Å; M113-M117 HydrophobicContact SD-CG 4.1Å; M113-M117 HydrophobicContact SD-SD 4.43Å; K114-M117 PolarHBondContact O-N 3.29Å
118	C	67.2	Low	69.8	Low	97 Å²	97	104.5 Å²	104.5	66%	0.655	58%	0.579	S	S	*	*	H	α-helix	trans	-99.4	0.5	177.5	-159.4	0	0	0	0	112.8	K114	K114-C118 WeakPolarHBondContact O-CA 3.28Å; K114-C118 WeakPolarHBondContact O-CB 3.49Å; K114-C118 PolarHBondContact O-N 2.88Å
119	S	61	Low	68.6	Low	57 Å²	57	108.8 Å²	108.8	40%	0.399	60%	0.601	S	S	.	*	S	Bend	trans	-51.6	156.7	162.2	-76	0	0	0	0	109.5	E115 L116 C121	E115-S119 WeakPolarHBondContact O-CB 3.49Å; E115-S119 PolarHBondContact O-N 3.37Å; E115-S119 PolarHBondContact O-OG 2.82Å; L116-S119 WeakPolarHBondContact O-CB 3.27Å; S119-C121 PolarHBondContact O-N 2.86Å
120	P	55.9	Low	67.4	Low	134 Å²	134	108 Å²	108	87%	0.87	60%	0.603	S	S	*	*	S	Bend	trans	-75.7	43.1	-154.1	33.5	-37.5	0	0	0	114.4	S122	P120-S122 PolarHBondContact O-N 3.45Å
121	C	52.3	Low	65.8	Low	111 Å²	111	112.4 Å²	112.4	75%	0.75	61%	0.608	S	S	*	*	S	Bend	trans	-56.9	102.6	133.6	-88.3	0	0	0	0	106	S119 S123	S119-C121 PolarHBondContact O-N 2.86Å; C121-S123 PolarHBondContact O-N 3.32Å
122	S	56.9	Low	64.2	Low	78 Å²	78	117.6 Å²	117.6	55%	0.545	64%	0.64	S	S	.	*			trans	-29.2	113.3	156.1	177	0	0	0	0	106.7	P120	P120-S122 PolarHBondContact O-N 3.45Å
123	S	60.3	Low	62.7	Low	91 Å²	91	119.3 Å²	119.3	64%	0.636	65%	0.645	S	S	*	*			trans	-34.8	122	175.9	48.7	0	0	0	0	106.1	C121 F125	C121-S123 PolarHBondContact O-N 3.32Å; S123-F125 WeakPolarHBondContact O-CA 3.45Å; S123-F125 PolarHBondContact O-N 3.37Å
124	P	54.9	Low	61	Low	109 Å²	109	125.2 Å²	125.2	71%	0.708	67%	0.669	S	S	*	*			trans	-46.4	115.8	-172.1	19.2	-31.5	0	0	0	105	V126	P124-V126 WeakPolarHBondContact O-CG2 3.34Å; P124-V126 PolarHBondContact O-N 2.87Å
125	F	58.7	Low	59.4	Low	183 Å²	183	127 Å²	127	80%	0.803	68%	0.682	S	S	*	*			trans	-58.5	95.4	-172.9	-118.7	-88.3	0	0	0	103.7	S123 K127	S123-F125 WeakPolarHBondContact O-CA 3.45Å; S123-F125 PolarHBondContact O-N 3.37Å; F125-K127 PolarHBondContact O-N 3.03Å
126	V	63.3	Low	57.5	Low	120 Å²	120	125 Å²	125	73%	0.727	68%	0.681	S	S	*	*			trans	-70.1	99.1	176.9	176.9	0	0	0	0	100	P124 E128	P124-V126 WeakPolarHBondContact O-CG2 3.34Å; P124-V126 PolarHBondContact O-N 2.87Å; V126-E128 VanDerWaalsContact C-N 3.25Å; V126-E128 PolarHBondContact O-N 3.39Å
127	K	65.4	Low	55.8	Low	164 Å²	164	126 Å²	126	71%	0.713	69%	0.686	S	S	*	*			trans	-55.1	106.9	168.9	-78.4	-174.8	179.2	-179.3	0	103.8	F125 H129	F125-K127 PolarHBondContact O-N 3.03Å; K127-H129 VanDerWaalsContact C-N 3.3Å; K127-H129 PolarHBondContact O-CD2 3.33Å; K127-H129 PolarHBondContact O-N 2.7Å
128	E	56.2	Low	54.5	Low	148 Å²	148	124.9 Å²	124.9	69%	0.692	69%	0.691	S	S	*	*			trans	-63	102.7	176.6	-175.8	170.3	-175.8	0	0	105.5	V126 T130	V126-E128 VanDerWaalsContact C-N 3.25Å; V126-E128 PolarHBondContact O-N 3.39Å; E128-T130 WeakPolarHBondContact CG-OG1 3.25Å; E128-T130 PolarHBondContact O-N 3.06Å; E128-T130 WeakPolarHBondContact OE1-CB 3.43Å; E128-T130 PolarHBondContact OE1-OG1 3.32Å
129	H	63.4	Low	53.6	Low	155 Å²	155	125.7 Å²	125.7	72%	0.718	69%	0.685	S	S	*	*			trans	-73.7	3	176	-65.2	-67.6	0	0	0	111.6	K127 Y131	K127-H129 VanDerWaalsContact C-N 3.3Å; K127-H129 PolarHBondContact O-CD2 3.33Å; K127-H129 PolarHBondContact O-N 2.7Å; H129-Y131 PolarHBondContact O-N 2.85Å
130	T	60	Low	53	Low	97 Å²	97	126.9 Å²	126.9	60%	0.595	69%	0.69	S	S	*	*	S	Bend	trans	-63.3	89.3	158.7	-27.7	0	0	0	0	106.3	E128 P132	E128-T130 WeakPolarHBondContact CG-OG1 3.25Å; E128-T130 PolarHBondContact O-N 3.06Å; E128-T130 WeakPolarHBondContact OE1-CB 3.43Å; E128-T130 PolarHBondContact OE1-OG1 3.32Å; T130-P132 WeakPolarHBondContact O-CD 3.48Å; T130-P132 VanDerWaalsContact O-N 3.16Å
131	Y	50.2	Low	52.5	Low	176 Å²	176	129.3 Å²	129.3	69%	0.69	69%	0.69	S	S	*	*			trans	-50.7	126.6	170.9	-81.3	-93.1	0	0	0	107.4	H129 N133	H129-Y131 PolarHBondContact O-N 2.85Å; Y131-N133 PolarHBondContact O-N 2.81Å
132	P	47.3	Very low	52.3	Low	121 Å²	121	130 Å²	130	79%	0.786	69%	0.686	S	S	*	*			trans	-72.8	31.4	167.9	33	-34.8	0	0	0	110.5	T130 K134	T130-P132 WeakPolarHBondContact O-CD 3.48Å; T130-P132 VanDerWaalsContact O-N 3.16Å; P132-K134 PolarHBondContact O-N 3.19Å
133	N	48.9	Very low	51.9	Low	126 Å²	126	130.9 Å²	130.9	67%	0.674	68%	0.684	S	S	*	*			trans	-65.8	95.3	153.3	-76.1	-11.5	0	0	0	104.2	Y131 I135	Y131-N133 PolarHBondContact O-N 2.81Å; N133-I135 PolarHBondContact O-N 3.14Å
134	K	44.2	Very low	51.6	Low	193 Å²	193	131.3 Å²	131.3	84%	0.839	68%	0.679	S	S	*	*			trans	-36.1	88.8	150	-59.5	173.2	-177.7	179.5	0	106.6	P132 P136	P132-K134 PolarHBondContact O-N 3.19Å; K134-P136 VanDerWaalsContact C-N 3.27Å; K134-P136 WeakPolarHBondContact O-CD 3.23Å
135	I	47.3	Very low	51.5	Low	141 Å²	141	131.5 Å²	131.5	72%	0.723	68%	0.683	S	S	*	*			trans	-51.8	111.4	148.2	-60.3	167.2	0	0	0	100.2	N133 D137	N133-I135 PolarHBondContact O-N 3.14Å; I135-D137 PolarHBondContact O-N 2.86Å
136	P	42.6	Very low	51.6	Low	89 Å²	89	124.2 Å²	124.2	58%	0.578	65%	0.654	S	S	*	*			trans	-52.4	124.7	179.1	20.2	-29.5	0	0	0	105.5	K134 S138	K134-P136 VanDerWaalsContact C-N 3.27Å; K134-P136 WeakPolarHBondContact O-CD 3.23Å; P136-S138 PolarHBondContact O-N 3.36Å; P136-S138 PolarHBondContact O-OG 3.09Å
137	D	41.8	Very low	51.8	Low	133 Å²	133	125.9 Å²	125.9	71%	0.711	66%	0.659	S	S	*	*	G	3₁₀ helix	trans	-59.4	15.4	179.8	-74.2	-49.8	0	0	0	112.7	I135 E139 V140	I135-D137 PolarHBondContact O-N 2.86Å; D137-E139 PolarHBondContact O-N 3.03Å; D137-V140 HydrophobicContact CB-CG2 3.99Å; D137-V140 PolarHBondContact O-N 3.23Å; D137-V140 VanDerWaalsContact O-N 3.16Å
138	S	46.4	Very low	52.3	Low	99 Å²	99	118.7 Å²	118.7	69%	0.692	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-70.8	-1.4	177.4	49.7	0	0	0	0	115	P136	P136-S138 PolarHBondContact O-N 3.36Å; P136-S138 PolarHBondContact O-OG 3.09Å
139	E	48.2	Very low	53.5	Low	114 Å²	114	120 Å²	120	53%	0.533	63%	0.627	S	S	.	*	G	3₁₀ helix	trans	-108.5	0.4	166.5	-63.4	-163.6	170	0	0	113.8	D137 E141 R213	D137-E139 PolarHBondContact O-N 3.03Å; E139-E141 VanDerWaalsContact C-N 3.3Å; E139-E141 PolarHBondContact O-N 3.39Å; E139-R213 IonicContact OE1-CZ 3.76Å; E139-R213 IonicContact OE1-NH1 3.33Å; E139-R213 PolarHBondContact OE1-NH1 3.08Å; E139-R213 IonicContact OE1-NH2 2.97Å
140	V	48.2	Very low	54.4	Low	83 Å²	83	117.2 Å²	117.2	50%	0.503	62%	0.617	S	S	.	*	G	3₁₀ helix	trans	-71.5	-22.1	-178.5	-175.8	0	0	0	0	112.7	D137 N142	D137-V140 HydrophobicContact CB-CG2 3.99Å; D137-V140 PolarHBondContact O-N 3.23Å; D137-V140 VanDerWaalsContact O-N 3.16Å; V140-N142 PolarHBondContact O-N 3.41Å
141	E	46.8	Very low	55.5	Low	185 Å²	185	117.1 Å²	117.1	86%	0.864	61%	0.613	S	S	*	*	G	3₁₀ helix	trans	-77.9	-13	-174.3	-80.8	-168	151.5	0	0	115.8	E139	E139-E141 VanDerWaalsContact C-N 3.3Å; E139-E141 PolarHBondContact O-N 3.39Å
142	N	47.3	Very low	57.2	Low	125 Å²	125	110.4 Å²	110.4	67%	0.668	59%	0.588	S	S	*	*	G	3₁₀ helix	trans	-126.6	41.2	178	-70.1	-36.9	0	0	0	112.2	V140 L144 R216	V140-N142 PolarHBondContact O-N 3.41Å; N142-L144 PolarHBondContact O-N 2.78Å; N142-R216 VanDerWaalsContact C-NH2 3.31Å; N142-R216 PolarHBondContact O-NH2 3.22Å
143	N	49.2	Very low	59	Low	96 Å²	96	106.5 Å²	106.5	51%	0.513	56%	0.559	S	S	.	*			trans	-64	81.2	151.8	-73.2	-36.1	0	0	0	106.5	S145 R216	N143-S145 VanDerWaalsContact C-N 3.31Å; N143-S145 PolarHBondContact O-N 3.45Å; N143-R216 VanDerWaalsContact CA-NH2 3.31Å; N143-R216 VanDerWaalsContact OD1-CZ 3.26Å; N143-R216 PolarHBondContact OD1-NH1 2.96Å; N143-R216 VanDerWaalsContact OD1-NH1 3.15Å; N143-R216 PolarHBondContact OD1-NH2 3.12Å
144	L	52.6	Low	60.9	Low	100 Å²	100	104.9 Å²	104.9	52%	0.524	55%	0.546	S	S	.	.			trans	-47.8	110.6	159	-95.6	119.8	0	0	0	104.5	N142 C146 N219	N142-L144 PolarHBondContact O-N 2.78Å; L144-C146 PolarHBondContact O-N 3.47Å; L144-N219 WeakPolarHBondContact CD2-ND2 3.23Å
145	S	54.1	Low	62.9	Low	114 Å²	114	100 Å²	100	80%	0.797	53%	0.529	S	S	*	.			trans	-60.2	96.1	173.6	-70.8	0	0	0	0	105.1	N143 D147	N143-S145 VanDerWaalsContact C-N 3.31Å; N143-S145 PolarHBondContact O-N 3.45Å; S145-D147 PolarHBondContact O-N 3.27Å
146	C	59.8	Low	64.8	Low	30 Å²	30	95.4 Å²	95.4	20%	0.203	51%	0.505	C	S	.	.			trans	-72.7	85.4	174.7	-164.5	0	0	0	0	104.2	L144 L148	L144-C146 PolarHBondContact O-N 3.47Å; C146-L148 PolarHBondContact O-N 2.92Å; C146-L148 VanDerWaalsContact SG-CD1 3.55Å; C146-L148 VanDerWaalsContact SG-CG 3.54Å
147	D	67.6	Low	66.9	Low	155 Å²	155	91.4 Å²	91.4	83%	0.829	48%	0.48	S	S	*	.			trans	-73.4	67.2	-178.9	-163.4	14.2	0	0	0	108.9	S145	S145-D147 PolarHBondContact O-N 3.27Å
148	L	75.1	Confident	69.1	Low	13 Å²	13	85.9 Å²	85.9	7%	0.068	45%	0.45	C	S	.	.			trans	-86.2	123.6	172	-68.1	174.6	0	0	0	107.5	C146 H152 Q153 L156 Y158 P160 V221 M225	C146-L148 PolarHBondContact O-N 2.92Å; C146-L148 VanDerWaalsContact SG-CD1 3.55Å; C146-L148 VanDerWaalsContact SG-CG 3.54Å; L148-H152 HydrophobicContact CB-CB 4.42Å; L148-H152 HydrophobicContact CD2-CB 4.33Å; L148-Q153 HydrophobicContact CB-CG 3.69Å; L148-Q153 PolarHBondContact O-NE2 3.5Å; L148-L156 HydrophobicContact CD1-CD1 3.96Å; L148-Y158 HydrophobicContact CD1-CD1 3.87Å; L148-Y158 HydrophobicContact CD1-CE1 4.4Å; L148-P160 HydrophobicContact CD1-CG 4.27Å; L148-V221 HydrophobicContact CD1-CG1 3.72Å; L148-M225 HydrophobicContact CD2-CB 4.29Å; L148-M225 HydrophobicContact CD2-CG 3.78Å
149	R	82	Confident	71.1	Confident	175 Å²	175	83.9 Å²	83.9	66%	0.66	43%	0.431	S	S	*	.			trans	-58.8	153.7	168.4	-63.4	-179	174	-174.1	-3.5	110.7	D151 H152 Q153	R149-D151 VanDerWaalsContact C-N 3.25Å; R149-D151 WeakPolarHBondContact CB-OD1 3.27Å; R149-D151 PolarHBondContact O-N 3.39Å; R149-H152 HydrophobicContact CB-CB 4.49Å; R149-H152 WeakPolarHBondContact O-CA 3.45Å; R149-H152 VanDerWaalsContact O-CB 3.31Å; R149-H152 WeakPolarHBondContact O-CB 3.39Å; R149-H152 PolarHBondContact O-N 3.35Å; R149-Q153 WeakPolarHBondContact O-CG 3.11Å; R149-Q153 PolarHBondContact O-N 3.04Å
150	L	81.8	Confident	72.6	Confident	96 Å²	96	79.8 Å²	79.8	50%	0.503	41%	0.414	S	S	.	.	H	α-helix	trans	-58.6	-34.7	-176.7	-175.5	64.3	0	0	0	113.3	K154	L150-K154 WeakPolarHBondContact O-CG 3.19Å; L150-K154 PolarHBondContact O-N 2.94Å
151	D	83.6	Confident	74.1	Confident	95 Å²	95	86.8 Å²	86.8	51%	0.508	43%	0.433	S	S	.	.	H	α-helix	trans	-67.1	-37.6	174	60.3	-31.9	0	0	0	112.3	R149 L155	R149-D151 VanDerWaalsContact C-N 3.25Å; R149-D151 WeakPolarHBondContact CB-OD1 3.27Å; R149-D151 PolarHBondContact O-N 3.39Å; D151-L155 PolarHBondContact O-N 2.99Å; D151-L155 VanDerWaalsContact O-N 3.07Å
152	H	85.3	Confident	75.8	Confident	36 Å²	36	84.9 Å²	84.9	17%	0.167	42%	0.418	C	S	.	.	H	α-helix	trans	-69.3	-41.9	175.6	-62.7	178	0	0	0	112.2	L148 R149 K154 L155 L156 M225	L148-H152 HydrophobicContact CB-CB 4.42Å; L148-H152 HydrophobicContact CD2-CB 4.33Å; R149-H152 HydrophobicContact CB-CB 4.49Å; R149-H152 WeakPolarHBondContact O-CA 3.45Å; R149-H152 VanDerWaalsContact O-CB 3.31Å; R149-H152 WeakPolarHBondContact O-CB 3.39Å; R149-H152 PolarHBondContact O-N 3.35Å; H152-K154 VanDerWaalsContact C-N 3.32Å; H152-K154 PolarHBondContact O-N 3.2Å; H152-L155 PolarHBondContact O-N 3.42Å; H152-L156 PolarHBondContact O-N 3.39Å; H152-L156 VanDerWaalsContact O-N 3.08Å; H152-M225 HydrophobicContact CB-CE 3.37Å; H152-M225 HydrophobicContact CB-CG 4.49Å; H152-M225 HydrophobicContact CB-SD 3.96Å; H152-M225 WeakPolarHBondContact CD2-CE 3.44Å
153	Q	87.1	Confident	77.5	Confident	39 Å²	39	80.6 Å²	80.6	18%	0.182	40%	0.395	C	S	.	.	H	α-helix	trans	-57	-46.7	174.7	-68	177.5	20.5	0	0	110.8	L148 R149 L155 L156 G157 Y158 P160	L148-Q153 HydrophobicContact CB-CG 3.69Å; L148-Q153 PolarHBondContact O-NE2 3.5Å; R149-Q153 WeakPolarHBondContact O-CG 3.11Å; R149-Q153 PolarHBondContact O-N 3.04Å; Q153-L155 PolarHBondContact O-N 3.03Å; Q153-L156 PolarHBondContact O-N 2.81Å; Q153-G157 WeakPolarHBondContact O-CA 3.48Å; Q153-G157 PolarHBondContact O-N 2.87Å; Q153-Y158 WeakPolarHBondContact CB-O 3.47Å; Q153-Y158 PolarHBondContact O-N 2.76Å; Q153-Y158 VanDerWaalsContact O-N 3.08Å; Q153-P160 HydrophobicContact CG-CG 3.94Å
154	K	87.1	Confident	79.2	Confident	92 Å²	92	79.1 Å²	79.1	40%	0.4	39%	0.385	S	S	.	.	H	α-helix	trans	-63.3	-37.3	175.9	-71.9	175.6	-177.7	178.8	0	113.4	L150 H152 L156 G157	L150-K154 WeakPolarHBondContact O-CG 3.19Å; L150-K154 PolarHBondContact O-N 2.94Å; H152-K154 VanDerWaalsContact C-N 3.32Å; H152-K154 PolarHBondContact O-N 3.2Å; K154-L156 VanDerWaalsContact C-N 3.35Å; K154-G157 PolarHBondContact O-N 2.69Å
155	L	86.7	Confident	81	Confident	91 Å²	91	76.5 Å²	76.5	48%	0.476	37%	0.37	S	S	.	.	H	α-helix	trans	-69.4	-34.9	-179.5	-173.2	66.5	0	0	0	112.3	D151 H152 Q153 L228	D151-L155 PolarHBondContact O-N 2.99Å; D151-L155 VanDerWaalsContact O-N 3.07Å; H152-L155 PolarHBondContact O-N 3.42Å; Q153-L155 PolarHBondContact O-N 3.03Å; L155-L228 HydrophobicContact CD2-CB 4.4Å; L155-L228 HydrophobicContact CD2-CD1 3.98Å; L155-L228 HydrophobicContact CG-CD1 4.32Å
156	L	86.5	Confident	82.7	Confident	44 Å²	44	75.6 Å²	75.6	23%	0.23	35%	0.353	C	S	.	.	H	α-helix	trans	-82.7	-22.7	174.7	-67.6	173.3	0	0	0	113	L148 H152 Q153 K154 Y158 V221 M225 L228	L148-L156 HydrophobicContact CD1-CD1 3.96Å; H152-L156 PolarHBondContact O-N 3.39Å; H152-L156 VanDerWaalsContact O-N 3.08Å; Q153-L156 PolarHBondContact O-N 2.81Å; K154-L156 VanDerWaalsContact C-N 3.35Å; L156-Y158 VanDerWaalsContact C-N 3.31Å; L156-V221 HydrophobicContact CD1-CG1 3.45Å; L156-V221 VanDerWaalsContact CD1-CG1 3.45Å; L156-M225 HydrophobicContact CD1-CG 3.27Å; L156-M225 HydrophobicContact CD1-SD 3.64Å; L156-M225 HydrophobicContact CD2-CG 4.05Å; L156-M225 HydrophobicContact CD2-SD 3.77Å; L156-M225 HydrophobicContact CG-CG 3.8Å; L156-M225 HydrophobicContact CG-SD 3.46Å; L156-M225 WeakPolarHBondContact CG-SD 3.19Å; L156-L228 HydrophobicContact CD2-CD1 3.84Å
157	G	88.3	Confident	84.1	Confident	5 Å²	5	80.9 Å²	80.9	5%	0.052	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	61	41.9	-164.3	0	0	0	0	0	111.1	Q153 K154 F165 E166	Q153-G157 WeakPolarHBondContact O-CA 3.48Å; Q153-G157 PolarHBondContact O-N 2.87Å; K154-G157 PolarHBondContact O-N 2.69Å; G157-F165 CarbonylContact O-C 3.53Å; G157-F165 WeakPolarHBondContact O-CA 3.35Å; G157-E166 WeakPolarHBondContact CA-OE2 3.35Å; G157-E166 PolarHBondContact O-N 3.44Å
158	Y	88.2	Confident	85.2	Confident	17 Å²	17	75.1 Å²	75.1	7%	0.067	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	136.1	-179.3	177.1	-112.3	0	0	0	110.6	L148 Q153 L156 P160 D163 E164 F165 V221	L148-Y158 HydrophobicContact CD1-CD1 3.87Å; L148-Y158 HydrophobicContact CD1-CE1 4.4Å; Q153-Y158 WeakPolarHBondContact CB-O 3.47Å; Q153-Y158 PolarHBondContact O-N 2.76Å; Q153-Y158 VanDerWaalsContact O-N 3.08Å; L156-Y158 VanDerWaalsContact C-N 3.31Å; Y158-P160 HydrophobicContact CD1-CB 4.47Å; Y158-P160 HydrophobicContact CD1-CG 3.92Å; Y158-P160 HydrophobicContact CE1-CB 3.98Å; Y158-P160 HydrophobicContact CE1-CG 3.93Å; Y158-P160 WeakPolarHBondContact O-CD 3.31Å; Y158-D163 WeakPolarHBondContact CE2-OD1 3.46Å; Y158-D163 PolarHBondContact OH-OD1 3.19Å; Y158-E164 WeakPolarHBondContact CD2-O 3.47Å; Y158-F165 AromaticContact CD2-CD1 3.6Å; Y158-F165 HydrophobicContact CD2-CD1 3.6Å; Y158-F165 AromaticContact CD2-CD2 3.97Å; Y158-F165 HydrophobicContact CD2-CD2 3.97Å; Y158-F165 AromaticContact CD2-CE1 3.31Å; Y158-F165 HydrophobicContact CD2-CE1 3.31Å; Y158-F165 AromaticContact CD2-CE2 3.71Å; Y158-F165 HydrophobicContact CD2-CE2 3.71Å; Y158-F165 AromaticContact CD2-CG 3.93Å; Y158-F165 HydrophobicContact CD2-CG 3.93Å; Y158-F165 AromaticContact CD2-CZ 3.37Å; Y158-F165 HydrophobicContact CD2-CZ 3.37Å; Y158-F165 HydrophobicContact CE2-CD2 4.26Å; Y158-F165 HydrophobicContact CE2-CE1 4.01Å; Y158-F165 AromaticContact CE2-CE2 3.7Å; Y158-F165 HydrophobicContact CE2-CE2 3.7Å; Y158-F165 AromaticContact CE2-CZ 3.56Å; Y158-F165 HydrophobicContact CE2-CZ 3.56Å; Y158-F165 HydrophobicContact CG-CD1 4.19Å; Y158-F165 AromaticContact CG-CE1 3.85Å; Y158-F165 HydrophobicContact CG-CE1 3.85Å; Y158-F165 HydrophobicContact CG-CZ 4.24Å; Y158-V221 HydrophobicContact CD1-CG1 3.74Å; Y158-V221 HydrophobicContact CE1-CG1 4.08Å; Y158-V221 HydrophobicContact CE1-CG2 4.45Å; Y158-V221 HydrophobicContact CG-CG1 4.26Å
159	L	86.8	Confident	85.9	Confident	57 Å²	57	77.6 Å²	77.6	30%	0.298	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	92.7	-177.5	-69.4	155.4	0	0	0	109.6	Y161 R162 D163 E164	L159-Y161 VanDerWaalsContact C-N 3.3Å; L159-Y161 PolarHBondContact O-N 3.23Å; L159-Y161 VanDerWaalsContact O-N 3.16Å; L159-R162 HydrophobicContact CB-CB 4.4Å; L159-R162 PolarHBondContact O-N 3.24Å; L159-R162 VanDerWaalsContact O-N 3.07Å; L159-D163 PolarHBondContact O-N 3.24Å; L159-E164 HydrophobicContact CB-CB 4.28Å; L159-E164 HydrophobicContact CD1-CB 4.09Å; L159-E164 PolarHBondContact N-O 3.44Å; L159-E164 PolarHBondContact O-N 3.31Å
160	P	81.3	Confident	86.2	Confident	28 Å²	28	72.8 Å²	72.8	18%	0.182	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-31.5	-167.7	-24.5	34.8	0	0	0	114.9	L148 Q153 Y158 R162	L148-P160 HydrophobicContact CD1-CG 4.27Å; Q153-P160 HydrophobicContact CG-CG 3.94Å; Y158-P160 HydrophobicContact CD1-CB 4.47Å; Y158-P160 HydrophobicContact CD1-CG 3.92Å; Y158-P160 HydrophobicContact CE1-CB 3.98Å; Y158-P160 HydrophobicContact CE1-CG 3.93Å; Y158-P160 WeakPolarHBondContact O-CD 3.31Å; P160-R162 VanDerWaalsContact C-N 3.33Å
161	Y	79.8	Confident	86.7	Confident	229 Å²	229	72.5 Å²	72.5	90%	0.898	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-19.5	-179.5	-66.1	-66.3	0	0	0	113.9	L159	L159-Y161 VanDerWaalsContact C-N 3.3Å; L159-Y161 PolarHBondContact O-N 3.23Å; L159-Y161 VanDerWaalsContact O-N 3.16Å
162	R	82	Confident	87	Confident	145 Å²	145	71 Å²	71	55%	0.547	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-12.8	175.7	-65.1	-172.1	176	-173	-3.7	112.7	L159 P160 E164	L159-R162 HydrophobicContact CB-CB 4.4Å; L159-R162 PolarHBondContact O-N 3.24Å; L159-R162 VanDerWaalsContact O-N 3.07Å; P160-R162 VanDerWaalsContact C-N 3.33Å; R162-E164 HydrophobicContact CB-CB 4.09Å; R162-E164 HydrophobicContact CB-CG 3.76Å; R162-E164 WeakPolarHBondContact CD-OE2 3.44Å; R162-E164 IonicContact NH1-OE2 3.33Å; R162-E164 PolarHBondContact O-N 3.2Å
163	D	82.2	Confident	87.2	Confident	36 Å²	36	69.4 Å²	69.4	19%	0.193	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	42.8	-168.2	-154.3	13	0	0	0	111.2	Y158 L159 H212 R216	Y158-D163 WeakPolarHBondContact CE2-OD1 3.46Å; Y158-D163 PolarHBondContact OH-OD1 3.19Å; L159-D163 PolarHBondContact O-N 3.24Å; D163-H212 PolarHBondContact O-CE1 2.99Å; D163-H212 PolarHBondContact O-ND1 2.92Å; D163-R216 IonicContact OD2-NH1 3.55Å
164	E	85.8	Confident	87.4	Confident	64 Å²	64	71 Å²	71	30%	0.299	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	142.4	-177	-75.5	172.3	-178.1	0	0	110.8	Y158 L159 R162	Y158-E164 WeakPolarHBondContact CD2-O 3.47Å; L159-E164 HydrophobicContact CB-CB 4.28Å; L159-E164 HydrophobicContact CD1-CB 4.09Å; L159-E164 PolarHBondContact N-O 3.44Å; L159-E164 PolarHBondContact O-N 3.31Å; R162-E164 HydrophobicContact CB-CB 4.09Å; R162-E164 HydrophobicContact CB-CG 3.76Å; R162-E164 WeakPolarHBondContact CD-OE2 3.44Å; R162-E164 IonicContact NH1-OE2 3.33Å; R162-E164 PolarHBondContact O-N 3.2Å
165	F	90.4	Very high	87.6	Confident	46 Å²	46	72.2 Å²	72.2	20%	0.202	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	153	169.3	-64	-93.2	0	0	0	110.7	G157 Y158 I167 E168 H212 V221	G157-F165 CarbonylContact O-C 3.53Å; G157-F165 WeakPolarHBondContact O-CA 3.35Å; Y158-F165 AromaticContact CD2-CD1 3.6Å; Y158-F165 HydrophobicContact CD2-CD1 3.6Å; Y158-F165 AromaticContact CD2-CD2 3.97Å; Y158-F165 HydrophobicContact CD2-CD2 3.97Å; Y158-F165 AromaticContact CD2-CE1 3.31Å; Y158-F165 HydrophobicContact CD2-CE1 3.31Å; Y158-F165 AromaticContact CD2-CE2 3.71Å; Y158-F165 HydrophobicContact CD2-CE2 3.71Å; Y158-F165 AromaticContact CD2-CG 3.93Å; Y158-F165 HydrophobicContact CD2-CG 3.93Å; Y158-F165 AromaticContact CD2-CZ 3.37Å; Y158-F165 HydrophobicContact CD2-CZ 3.37Å; Y158-F165 HydrophobicContact CE2-CD2 4.26Å; Y158-F165 HydrophobicContact CE2-CE1 4.01Å; Y158-F165 AromaticContact CE2-CE2 3.7Å; Y158-F165 HydrophobicContact CE2-CE2 3.7Å; Y158-F165 AromaticContact CE2-CZ 3.56Å; Y158-F165 HydrophobicContact CE2-CZ 3.56Å; Y158-F165 HydrophobicContact CG-CD1 4.19Å; Y158-F165 AromaticContact CG-CE1 3.85Å; Y158-F165 HydrophobicContact CG-CE1 3.85Å; Y158-F165 HydrophobicContact CG-CZ 4.24Å; F165-I167 VanDerWaalsContact C-N 3.3Å; F165-I167 WeakPolarHBondContact CB-O 3.41Å; F165-E168 PolarHBondContact N-OE1 3.18Å; F165-H212 AromaticContact CD2-CE1 3.65Å; F165-H212 AromaticContact CD2-NE2 3.41Å; F165-H212 WeakPolarHBondContact CD2-NE2 3.5Å; F165-H212 AromaticContact CE2-CD2 3.99Å; F165-H212 AromaticContact CE2-CE1 3.97Å; F165-H212 AromaticContact CE2-NE2 3.81Å; F165-V221 HydrophobicContact CE1-CG2 4.41Å; F165-V221 HydrophobicContact CZ-CG2 4.09Å
166	E	89.5	Confident	87.7	Confident	94 Å²	94	69.6 Å²	69.6	44%	0.439	33%	0.332	S	S	.	.	S	Bend	trans	-71.2	-31.6	170.2	-72.9	-178.1	177	0	0	111.8	G157 K763	G157-E166 WeakPolarHBondContact CA-OE2 3.35Å; G157-E166 PolarHBondContact O-N 3.44Å; E166-K763 HydrophobicContact CG-CD 4.38Å
167	I	89.7	Confident	87.8	Confident	141 Å²	141	69.7 Å²	69.7	72%	0.723	33%	0.333	S	S	*	.	S	Bend	trans	-122.6	109.4	174.7	-57.2	173.7	0	0	0	106.6	F165 N171	F165-I167 VanDerWaalsContact C-N 3.3Å; F165-I167 WeakPolarHBondContact CB-O 3.41Å; I167-N171 HydrophobicContact CG2-CB 4.45Å
168	E	91.1	Very high	87.8	Confident	35 Å²	35	74.3 Å²	74.3	16%	0.164	36%	0.357	C	S	.	.			trans	-83.2	165.1	-179.5	-73.4	-63.6	164	0	0	112.1	F165 L170 N171 R208 H212	F165-E168 PolarHBondContact N-OE1 3.18Å; E168-L170 PolarHBondContact O-N 2.9Å; E168-N171 PolarHBondContact N-OD1 3.03Å; E168-N171 PolarHBondContact O-N 2.99Å; E168-R208 WeakPolarHBondContact OE2-CD 3.46Å; E168-R208 WeakPolarHBondContact OE2-CG 3.41Å; E168-H212 IonicContact OE1-CE1 3.22Å; E168-H212 PolarHBondContact OE1-CE1 2.71Å; E168-H212 IonicContact OE1-NE2 3.69Å; E168-H212 PolarHBondContact OE1-NE2 3.49Å; E168-H212 IonicContact OE2-CD2 3.61Å; E168-H212 IonicContact OE2-CE1 2.68Å; E168-H212 IonicContact OE2-NE2 3.78Å; E168-H212 PolarHBondContact OE2-NE2 2.99Å
169	Y	87.9	Confident	87.5	Confident	64 Å²	64	76.5 Å²	76.5	25%	0.251	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	126.4	165.7	174.1	-108.5	0	0	0	109.4	E207 R211	Y169-E207 HydrophobicContact CD1-CB 4.05Å; Y169-E207 HydrophobicContact CE1-CB 3.68Å; Y169-E207 VanDerWaalsContact CE1-CD 3.5Å; Y169-E207 HydrophobicContact CE1-CG 4.24Å; Y169-E207 WeakPolarHBondContact CE1-OE2 3.35Å; Y169-E207 VanDerWaalsContact CZ-OE2 3.32Å; Y169-E207 VanDerWaalsContact OH-CD 3.28Å; Y169-E207 PolarHBondContact OH-OE1 3Å; Y169-E207 VanDerWaalsContact OH-OE1 3.13Å; Y169-E207 PolarHBondContact OH-OE2 3.46Å; Y169-R211 VanDerWaalsContact CG-CD 3.43Å; Y169-R211 VanDerWaalsContact CZ-CZ 3.45Å; Y169-R211 PolarHBondContact OH-NH2 3.07Å
170	L	88.8	Confident	87.3	Confident	75 Å²	75	75.4 Å²	75.4	39%	0.393	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.6	71.9	-170.2	-64	174.3	0	0	0	110.9	E168 S172 A173 Y204	E168-L170 PolarHBondContact O-N 2.9Å; L170-S172 PolarHBondContact O-N 2.94Å; L170-A173 HydrophobicContact CB-CB 4.42Å; L170-A173 VanDerWaalsContact O-CB 3.23Å; L170-A173 WeakPolarHBondContact O-CB 3.32Å; L170-A173 PolarHBondContact O-N 3.29Å; L170-Y204 HydrophobicContact CD1-CD1 3.45Å; L170-Y204 VanDerWaalsContact CD1-CD1 3.45Å; L170-Y204 HydrophobicContact CD1-CE1 3.53Å; L170-Y204 HydrophobicContact CD1-CG 4.11Å
171	N	91.9	Very high	87.2	Confident	90 Å²	90	81.8 Å²	81.8	48%	0.481	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-8.8	-178.1	-161	87.2	0	0	0	114.7	I167 E168	I167-N171 HydrophobicContact CG2-CB 4.45Å; E168-N171 PolarHBondContact N-OD1 3.03Å; E168-N171 PolarHBondContact O-N 2.99Å
172	S	90.4	Very high	86.9	Confident	64 Å²	64	77.1 Å²	77.1	45%	0.448	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	11.7	174.3	-69.4	0	0	0	0	112.4	L170 E174 E175	L170-S172 PolarHBondContact O-N 2.94Å; S172-E174 PolarHBondContact O-N 2.96Å; S172-E175 VanDerWaalsContact CB-CD 3.43Å; S172-E175 WeakPolarHBondContact CB-OE1 3.3Å; S172-E175 VanDerWaalsContact O-CB 3.27Å; S172-E175 WeakPolarHBondContact O-CB 3.43Å; S172-E175 PolarHBondContact O-N 3.45Å; S172-E175 PolarHBondContact OG-OE1 2.97Å
173	A	89.6	Confident	86.5	Confident	2 Å²	2	74.5 Å²	74.5	2%	0.017	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-58.8	-35.5	-177.7	0	0	0	0	0	112.3	L170 E175 V176 Y204	L170-A173 HydrophobicContact CB-CB 4.42Å; L170-A173 VanDerWaalsContact O-CB 3.23Å; L170-A173 WeakPolarHBondContact O-CB 3.32Å; L170-A173 PolarHBondContact O-N 3.29Å; A173-E175 PolarHBondContact O-N 2.89Å; A173-V176 WeakPolarHBondContact O-CB 3.47Å; A173-V176 WeakPolarHBondContact O-CG2 3.41Å; A173-V176 PolarHBondContact O-N 3.37Å; A173-Y204 HydrophobicContact CB-CD2 3.8Å; A173-Y204 HydrophobicContact CB-CG 4.19Å
174	E	90.6	Very high	86.2	Confident	73 Å²	73	78.6 Å²	78.6	34%	0.341	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	-67	-22.2	178.8	-62.7	73.5	-165.4	0	0	112	S172 V176 L177 Y201 R208	S172-E174 PolarHBondContact O-N 2.96Å; E174-V176 PolarHBondContact O-N 3.17Å; E174-L177 PolarHBondContact O-N 3.19Å; E174-L177 VanDerWaalsContact O-N 3.07Å; E174-Y201 HydrophobicContact CG-CE2 4.17Å; E174-R208 IonicContact OE1-CZ 2.88Å; E174-R208 IonicContact OE1-NH1 2.76Å; E174-R208 PolarHBondContact OE1-NH1 3.2Å; E174-R208 IonicContact OE1-NH2 3.67Å; E174-R208 PolarHBondContact OE1-NH2 3.17Å; E174-R208 IonicContact OE2-NH2 3.6Å
175	E	91.1	Very high	85.7	Confident	117 Å²	117	82 Å²	82	55%	0.547	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-64.6	-25.6	178	-62.1	174.5	-159.4	0	0	112.5	S172 A173 L177 N178	S172-E175 VanDerWaalsContact CB-CD 3.43Å; S172-E175 WeakPolarHBondContact CB-OE1 3.3Å; S172-E175 VanDerWaalsContact O-CB 3.27Å; S172-E175 WeakPolarHBondContact O-CB 3.43Å; S172-E175 PolarHBondContact O-N 3.45Å; S172-E175 PolarHBondContact OG-OE1 2.97Å; A173-E175 PolarHBondContact O-N 2.89Å; E175-L177 PolarHBondContact O-N 3.43Å; E175-N178 WeakPolarHBondContact CA-ND2 3.41Å; E175-N178 VanDerWaalsContact O-CB 3.31Å; E175-N178 WeakPolarHBondContact O-CB 3.41Å; E175-N178 PolarHBondContact O-N 3.37Å; E175-N178 VanDerWaalsContact O-N 3.09Å
176	V	89.2	Confident	85	Confident	35 Å²	35	80.6 Å²	80.6	21%	0.212	44%	0.435	C	S	.	.	G	3₁₀ helix	trans	-60.5	-28.6	174.9	-179.5	0	0	0	0	111.5	A173 E174 L197 Y204	A173-V176 WeakPolarHBondContact O-CB 3.47Å; A173-V176 WeakPolarHBondContact O-CG2 3.41Å; A173-V176 PolarHBondContact O-N 3.37Å; E174-V176 PolarHBondContact O-N 3.17Å; V176-L197 HydrophobicContact CG1-CB 4.24Å; V176-L197 HydrophobicContact CG1-CD2 3.85Å; V176-Y204 HydrophobicContact CG2-CE2 4.04Å
177	L	88.6	Confident	84.8	Confident	46 Å²	46	81.3 Å²	81.3	24%	0.241	44%	0.441	C	S	.	.	G	3₁₀ helix	trans	-89.1	-7.9	179.9	-60.2	-178.6	0	0	0	113.2	E174 E175 S179 V180 M198 Y201	E174-L177 PolarHBondContact O-N 3.19Å; E174-L177 VanDerWaalsContact O-N 3.07Å; E175-L177 PolarHBondContact O-N 3.43Å; L177-S179 PolarHBondContact O-N 2.88Å; L177-V180 HydrophobicContact CD2-CG2 4.19Å; L177-V180 WeakPolarHBondContact O-CB 3.36Å; L177-V180 PolarHBondContact O-N 3.23Å; L177-M198 HydrophobicContact CD1-SD 4.37Å; L177-M198 HydrophobicContact CD2-CE 4.17Å; L177-M198 HydrophobicContact CD2-SD 3.91Å; L177-Y201 HydrophobicContact CD1-CD1 3.74Å; L177-Y201 HydrophobicContact CD1-CD2 3.91Å; L177-Y201 HydrophobicContact CD1-CE1 3.87Å; L177-Y201 HydrophobicContact CD1-CE2 4.04Å; L177-Y201 HydrophobicContact CD1-CG 3.74Å; L177-Y201 HydrophobicContact CD2-CG 4.25Å; L177-Y201 HydrophobicContact CG-CD1 4.45Å; L177-Y201 HydrophobicContact CG-CD2 4.13Å; L177-Y201 HydrophobicContact CG-CG 4.01Å
178	N	88.3	Confident	84.8	Confident	103 Å²	103	82.5 Å²	82.5	55%	0.551	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-27.8	-178.4	-72.6	-16.9	0	0	0	112.7	E175 V180 Y181	E175-N178 WeakPolarHBondContact CA-ND2 3.41Å; E175-N178 VanDerWaalsContact O-CB 3.31Å; E175-N178 WeakPolarHBondContact O-CB 3.41Å; E175-N178 PolarHBondContact O-N 3.37Å; E175-N178 VanDerWaalsContact O-N 3.09Å; N178-V180 VanDerWaalsContact C-N 3.34Å; N178-Y181 WeakPolarHBondContact O-CE2 3.45Å; N178-Y181 VanDerWaalsContact O-CZ 3.24Å; N178-Y181 PolarHBondContact O-OH 3.45Å; N178-Y181 VanDerWaalsContact O-OH 3.09Å
179	S	81.7	Confident	84.7	Confident	62 Å²	62	87.5 Å²	87.5	43%	0.434	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-2.8	178.3	56.3	0	0	0	0	113.9	L177 Y181	L177-S179 PolarHBondContact O-N 2.88Å; S179-Y181 PolarHBondContact O-N 3.26Å
180	V	84.2	Confident	84.8	Confident	35 Å²	35	87.2 Å²	87.2	21%	0.212	47%	0.474	C	S	.	.			trans	-87.7	104.9	-176.9	-176.6	0	0	0	0	109.2	L177 N178 Y194 L197	L177-V180 HydrophobicContact CD2-CG2 4.19Å; L177-V180 WeakPolarHBondContact O-CB 3.36Å; L177-V180 PolarHBondContact O-N 3.23Å; N178-V180 VanDerWaalsContact C-N 3.34Å; V180-Y194 HydrophobicContact CB-CD1 4.15Å; V180-Y194 HydrophobicContact CG1-CD1 3.89Å; V180-Y194 HydrophobicContact CG1-CE1 4.48Å; V180-Y194 HydrophobicContact CG1-CG 4.05Å; V180-Y194 HydrophobicContact CG2-CD1 3.97Å; V180-L197 HydrophobicContact CG2-CB 4.42Å; V180-L197 HydrophobicContact CG2-CD1 3.99Å
181	Y	77.9	Confident	84.8	Confident	162 Å²	162	89.4 Å²	89.4	64%	0.635	48%	0.48	S	S	*	.			trans	-123.4	120	170.9	-57.4	-75	0	0	0	109.4	N178 S179 T183 Y194	N178-Y181 WeakPolarHBondContact O-CE2 3.45Å; N178-Y181 VanDerWaalsContact O-CZ 3.24Å; N178-Y181 PolarHBondContact O-OH 3.45Å; N178-Y181 VanDerWaalsContact O-OH 3.09Å; S179-Y181 PolarHBondContact O-N 3.26Å; Y181-T183 PolarHBondContact O-N 2.99Å; Y181-Y194 PolarHBondContact O-OH 3.26Å
182	T	74.5	Confident	84.8	Confident	130 Å²	130	87.7 Å²	87.7	80%	0.798	48%	0.478	S	S	*	.			trans	-82	104.7	173.6	54.5	0	0	0	0	109.1
183	T	73.6	Confident	84.8	Confident	91 Å²	91	90 Å²	90	56%	0.558	48%	0.481	S	S	*	.			trans	-92.5	152.4	163.7	51.8	0	0	0	0	110	Y181 N185 C186	Y181-T183 PolarHBondContact O-N 2.99Å; T183-N185 PolarHBondContact O-N 3.06Å; T183-C186 PolarHBondContact N-SG 3.37Å; T183-C186 VanDerWaalsContact N-SG 3.36Å; T183-C186 PolarHBondContact O-N 3.44Å; T183-C186 PolarHBondContact O-SG 3.13Å; T183-C186 PolarHBondContact OG1-SG 3.25Å
184	S	75.2	Confident	84.9	Confident	121 Å²	121	92.2 Å²	92.2	85%	0.846	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-17.7	178	53.9	0	0	0	0	113.9
185	N	75.3	Confident	85	Confident	135 Å²	135	94.8 Å²	94.8	72%	0.722	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.4	24	-173.3	-55.7	6.9	0	0	0	112.3	T183 D187	T183-N185 PolarHBondContact O-N 3.06Å; N185-D187 PolarHBondContact O-N 2.9Å
186	C	75.5	Confident	85.1	Confident	17 Å²	17	91.8 Å²	91.8	12%	0.115	50%	0.5	C	S	.	.			trans	-66.2	130.3	179.4	-71.7	0	0	0	0	111.8	T183 D190 K191	T183-C186 PolarHBondContact N-SG 3.37Å; T183-C186 VanDerWaalsContact N-SG 3.36Å; T183-C186 PolarHBondContact O-N 3.44Å; T183-C186 PolarHBondContact O-SG 3.13Å; T183-C186 PolarHBondContact OG1-SG 3.25Å; C186-D190 HydrophobicContact CB-CB 4.27Å; C186-K191 HydrophobicContact CB-CG 4.3Å; C186-K191 VanDerWaalsContact O-CE 3.31Å; C186-K191 WeakPolarHBondContact O-CE 3.48Å
187	D	85.8	Confident	85.3	Confident	109 Å²	109	91.2 Å²	91.2	58%	0.583	50%	0.495	S	S	*	.			trans	-66	161.1	174.3	-68.2	-25.4	0	0	0	111.2	N185 L189 D190 K191	N185-D187 PolarHBondContact O-N 2.9Å; D187-L189 PolarHBondContact O-N 3.2Å; D187-D190 PolarHBondContact O-N 2.74Å; D187-K191 WeakPolarHBondContact O-CG 3.3Å; D187-K191 PolarHBondContact O-N 2.86Å
188	E	89.2	Confident	85.6	Confident	167 Å²	167	92.6 Å²	92.6	78%	0.78	50%	0.502	S	S	*	.	H	α-helix	trans	-59.8	-36	175.4	-171.5	174	-175.9	0	0	111.9	K191 A192	E188-K191 PolarHBondContact O-N 2.88Å; E188-A192 WeakPolarHBondContact O-CB 3.31Å; E188-A192 PolarHBondContact O-N 2.93Å
189	L	88.8	Confident	85.8	Confident	139 Å²	139	89.6 Å²	89.6	73%	0.728	50%	0.495	S	S	*	.	H	α-helix	trans	-63.7	-43.8	175.2	-174.9	65.1	0	0	0	111.9	D187 K191 A192 F193	D187-L189 PolarHBondContact O-N 3.2Å; L189-K191 VanDerWaalsContact C-N 3.35Å; L189-A192 PolarHBondContact O-N 2.96Å; L189-F193 WeakPolarHBondContact O-CB 3.44Å; L189-F193 PolarHBondContact O-N 2.88Å
190	D	89.6	Confident	86.4	Confident	59 Å²	59	89.9 Å²	89.9	32%	0.316	49%	0.49	S	S	.	.	H	α-helix	trans	-63.1	-43.5	176.6	-69.9	-25.3	0	0	0	110.9	C186 D187 A192 F193 Y194	C186-D190 HydrophobicContact CB-CB 4.27Å; D187-D190 PolarHBondContact O-N 2.74Å; D190-A192 VanDerWaalsContact C-N 3.35Å; D190-A192 PolarHBondContact O-N 3.13Å; D190-F193 PolarHBondContact O-N 2.88Å; D190-Y194 HydrophobicContact CB-CD2 4.37Å; D190-Y194 HydrophobicContact CB-CE2 3.88Å; D190-Y194 WeakPolarHBondContact O-CD2 3.48Å; D190-Y194 PolarHBondContact O-N 3.11Å
191	K	89	Confident	86.9	Confident	121 Å²	121	90.5 Å²	90.5	53%	0.526	49%	0.489	S	S	.	.	H	α-helix	trans	-59.2	-46.3	175.4	-69.4	171.5	-173	166.8	0	111.1	C186 D187 E188 L189 F193 Y194 L195	C186-K191 HydrophobicContact CB-CG 4.3Å; C186-K191 VanDerWaalsContact O-CE 3.31Å; C186-K191 WeakPolarHBondContact O-CE 3.48Å; D187-K191 WeakPolarHBondContact O-CG 3.3Å; D187-K191 PolarHBondContact O-N 2.86Å; E188-K191 PolarHBondContact O-N 2.88Å; L189-K191 VanDerWaalsContact C-N 3.35Å; K191-F193 VanDerWaalsContact C-N 3.35Å; K191-F193 PolarHBondContact O-N 3.42Å; K191-Y194 PolarHBondContact O-N 2.93Å; K191-L195 WeakPolarHBondContact O-CB 3.44Å; K191-L195 VanDerWaalsContact O-CG 3.25Å; K191-L195 WeakPolarHBondContact O-CG 3.44Å; K191-L195 PolarHBondContact O-N 3.01Å
192	A	91.7	Very high	87.7	Confident	53 Å²	53	86.4 Å²	86.4	44%	0.438	48%	0.478	S	S	.	.	H	α-helix	trans	-62.1	-41.8	177	0	0	0	0	0	111.8	E188 L189 D190 L195 A196	E188-A192 WeakPolarHBondContact O-CB 3.31Å; E188-A192 PolarHBondContact O-N 2.93Å; L189-A192 PolarHBondContact O-N 2.96Å; D190-A192 VanDerWaalsContact C-N 3.35Å; D190-A192 PolarHBondContact O-N 3.13Å; A192-L195 PolarHBondContact O-N 3.05Å; A192-A196 WeakPolarHBondContact O-CB 3.5Å; A192-A196 PolarHBondContact O-N 3.1Å
193	F	91.7	Very high	88.6	Confident	113 Å²	113	85.8 Å²	85.8	50%	0.496	47%	0.467	S	S	.	.	H	α-helix	trans	-62	-46.7	175	177.3	-109.7	0	0	0	112	L189 D190 K191 L195 A196 L197	L189-F193 WeakPolarHBondContact O-CB 3.44Å; L189-F193 PolarHBondContact O-N 2.88Å; D190-F193 PolarHBondContact O-N 2.88Å; K191-F193 VanDerWaalsContact C-N 3.35Å; K191-F193 PolarHBondContact O-N 3.42Å; F193-L195 VanDerWaalsContact C-N 3.35Å; F193-L195 PolarHBondContact O-N 3.04Å; F193-A196 WeakPolarHBondContact O-CB 3.43Å; F193-A196 PolarHBondContact O-N 3.33Å; F193-L197 HydrophobicContact CD1-CD1 4.06Å; F193-L197 HydrophobicContact CE1-CD1 3.5Å; F193-L197 VanDerWaalsContact CE1-CD1 3.5Å; F193-L197 HydrophobicContact CE1-CG 4.22Å; F193-L197 HydrophobicContact CE2-CD1 4.45Å; F193-L197 HydrophobicContact CE2-CD2 4.44Å; F193-L197 HydrophobicContact CE2-CG 4.35Å; F193-L197 HydrophobicContact CZ-CD1 3.73Å; F193-L197 HydrophobicContact CZ-CD2 4.23Å; F193-L197 HydrophobicContact CZ-CG 4.09Å; F193-L197 WeakPolarHBondContact O-CG 3.46Å; F193-L197 PolarHBondContact O-N 2.84Å
194	Y	92.1	Very high	89.6	Confident	48 Å²	48	84.8 Å²	84.8	19%	0.188	45%	0.453	C	S	.	.	H	α-helix	trans	-63.9	-38.5	176.6	-63.3	-42.7	0	0	0	112.6	V180 Y181 D190 K191 A196 L197 M198	V180-Y194 HydrophobicContact CB-CD1 4.15Å; V180-Y194 HydrophobicContact CG1-CD1 3.89Å; V180-Y194 HydrophobicContact CG1-CE1 4.48Å; V180-Y194 HydrophobicContact CG1-CG 4.05Å; V180-Y194 HydrophobicContact CG2-CD1 3.97Å; Y181-Y194 PolarHBondContact O-OH 3.26Å; D190-Y194 HydrophobicContact CB-CD2 4.37Å; D190-Y194 HydrophobicContact CB-CE2 3.88Å; D190-Y194 WeakPolarHBondContact O-CD2 3.48Å; D190-Y194 PolarHBondContact O-N 3.11Å; K191-Y194 PolarHBondContact O-N 2.93Å; Y194-A196 VanDerWaalsContact C-N 3.34Å; Y194-L197 HydrophobicContact CD1-CD1 4.45Å; Y194-L197 PolarHBondContact O-N 3.2Å; Y194-M198 WeakPolarHBondContact O-CB 3.42Å; Y194-M198 PolarHBondContact O-N 2.99Å
195	L	92.1	Very high	90.5	Very high	127 Å²	127	80.5 Å²	80.5	67%	0.665	42%	0.421	S	S	*	.	H	α-helix	trans	-64.4	-39.1	174.1	-73.3	171.5	0	0	0	111.7	K191 A192 F193 M198 G199	K191-L195 WeakPolarHBondContact O-CB 3.44Å; K191-L195 VanDerWaalsContact O-CG 3.25Å; K191-L195 WeakPolarHBondContact O-CG 3.44Å; K191-L195 PolarHBondContact O-N 3.01Å; A192-L195 PolarHBondContact O-N 3.05Å; F193-L195 VanDerWaalsContact C-N 3.35Å; F193-L195 PolarHBondContact O-N 3.04Å; L195-M198 PolarHBondContact O-N 3.09Å; L195-G199 PolarHBondContact O-N 2.81Å
196	A	93.7	Very high	91.3	Very high	55 Å²	55	80.6 Å²	80.6	46%	0.455	42%	0.417	S	S	.	.	H	α-helix	trans	-64	-44.3	174.5	0	0	0	0	0	111.8	A192 F193 Y194 M198 G199 I200	A192-A196 WeakPolarHBondContact O-CB 3.5Å; A192-A196 PolarHBondContact O-N 3.1Å; F193-A196 WeakPolarHBondContact O-CB 3.43Å; F193-A196 PolarHBondContact O-N 3.33Å; Y194-A196 VanDerWaalsContact C-N 3.34Å; A196-M198 VanDerWaalsContact C-N 3.34Å; A196-M198 PolarHBondContact O-N 3.39Å; A196-G199 WeakPolarHBondContact O-CA 3.43Å; A196-G199 PolarHBondContact O-N 3.18Å; A196-G199 VanDerWaalsContact O-N 3.15Å; A196-I200 WeakPolarHBondContact O-CG1 3.36Å; A196-I200 PolarHBondContact O-N 3.32Å
197	L	93.5	Very high	92.1	Very high	22 Å²	22	82.9 Å²	82.9	12%	0.115	43%	0.425	C	S	.	.	H	α-helix	trans	-60	-42.9	173.9	-70	178.5	0	0	0	111.9	V176 V180 F193 Y194 G199 I200 Y201	V176-L197 HydrophobicContact CG1-CB 4.24Å; V176-L197 HydrophobicContact CG1-CD2 3.85Å; V180-L197 HydrophobicContact CG2-CB 4.42Å; V180-L197 HydrophobicContact CG2-CD1 3.99Å; F193-L197 HydrophobicContact CD1-CD1 4.06Å; F193-L197 HydrophobicContact CE1-CD1 3.5Å; F193-L197 VanDerWaalsContact CE1-CD1 3.5Å; F193-L197 HydrophobicContact CE1-CG 4.22Å; F193-L197 HydrophobicContact CE2-CD1 4.45Å; F193-L197 HydrophobicContact CE2-CD2 4.44Å; F193-L197 HydrophobicContact CE2-CG 4.35Å; F193-L197 HydrophobicContact CZ-CD1 3.73Å; F193-L197 HydrophobicContact CZ-CD2 4.23Å; F193-L197 HydrophobicContact CZ-CG 4.09Å; F193-L197 WeakPolarHBondContact O-CG 3.46Å; F193-L197 PolarHBondContact O-N 2.84Å; Y194-L197 HydrophobicContact CD1-CD1 4.45Å; Y194-L197 PolarHBondContact O-N 3.2Å; L197-G199 VanDerWaalsContact C-N 3.3Å; L197-G199 PolarHBondContact O-N 3.23Å; L197-I200 PolarHBondContact O-N 2.92Å; L197-Y201 PolarHBondContact O-N 2.84Å
198	M	93.3	Very high	92.5	Very high	76 Å²	76	79 Å²	79	37%	0.374	40%	0.403	S	S	.	.	H	α-helix	trans	-64.4	-36.2	175.6	-166.9	66.4	78.6	0	0	111.7	L177 Y194 L195 A196 Y201 N202	L177-M198 HydrophobicContact CD1-SD 4.37Å; L177-M198 HydrophobicContact CD2-CE 4.17Å; L177-M198 HydrophobicContact CD2-SD 3.91Å; Y194-M198 WeakPolarHBondContact O-CB 3.42Å; Y194-M198 PolarHBondContact O-N 2.99Å; L195-M198 PolarHBondContact O-N 3.09Å; A196-M198 VanDerWaalsContact C-N 3.34Å; A196-M198 PolarHBondContact O-N 3.39Å; M198-Y201 PolarHBondContact O-N 3.46Å; M198-Y201 HydrophobicContact SD-CD1 4.21Å; M198-N202 WeakPolarHBondContact O-CB 2.93Å; M198-N202 VanDerWaalsContact O-CG 3.24Å; M198-N202 PolarHBondContact O-N 3.41Å; M198-N202 PolarHBondContact O-ND2 3.37Å
199	G	94.2	Very high	92.6	Very high	39 Å²	39	77 Å²	77	40%	0.402	39%	0.393	S	S	.	.	H	α-helix	trans	-60.7	-46.5	172.9	0	0	0	0	0	112.7	L195 A196 L197 N202 Q203	L195-G199 PolarHBondContact O-N 2.81Å; A196-G199 WeakPolarHBondContact O-CA 3.43Å; A196-G199 PolarHBondContact O-N 3.18Å; A196-G199 VanDerWaalsContact O-N 3.15Å; L197-G199 VanDerWaalsContact C-N 3.3Å; L197-G199 PolarHBondContact O-N 3.23Å; G199-N202 PolarHBondContact O-N 2.83Å; G199-Q203 PolarHBondContact O-N 3.46Å
200	I	93.3	Very high	92.8	Very high	68 Å²	68	76.5 Å²	76.5	35%	0.349	39%	0.385	S	S	.	.	H	α-helix	trans	-61.2	-45.6	175.4	-65.8	166.1	0	0	0	110.6	A196 L197 N202 Q203 Y204	A196-I200 WeakPolarHBondContact O-CG1 3.36Å; A196-I200 PolarHBondContact O-N 3.32Å; L197-I200 PolarHBondContact O-N 2.92Å; I200-N202 PolarHBondContact O-N 2.93Å; I200-Q203 WeakPolarHBondContact O-CB 3.49Å; I200-Q203 PolarHBondContact O-N 3.03Å; I200-Y204 HydrophobicContact CG2-CD2 4.26Å; I200-Y204 HydrophobicContact CG2-CE2 3.59Å; I200-Y204 PolarHBondContact O-N 3.4Å; I200-Y204 VanDerWaalsContact O-N 3.14Å
201	Y	95	Very high	92.9	Very high	48 Å²	48	78.6 Å²	78.6	19%	0.188	39%	0.389	C	S	.	.	H	α-helix	trans	-59.8	-46.2	176.5	174.4	-103.9	0	0	0	112	E174 L177 L197 M198 Q203 Y204 I205	E174-Y201 HydrophobicContact CG-CE2 4.17Å; L177-Y201 HydrophobicContact CD1-CD1 3.74Å; L177-Y201 HydrophobicContact CD1-CD2 3.91Å; L177-Y201 HydrophobicContact CD1-CE1 3.87Å; L177-Y201 HydrophobicContact CD1-CE2 4.04Å; L177-Y201 HydrophobicContact CD1-CG 3.74Å; L177-Y201 HydrophobicContact CD2-CG 4.25Å; L177-Y201 HydrophobicContact CG-CD1 4.45Å; L177-Y201 HydrophobicContact CG-CD2 4.13Å; L177-Y201 HydrophobicContact CG-CG 4.01Å; L197-Y201 PolarHBondContact O-N 2.84Å; M198-Y201 PolarHBondContact O-N 3.46Å; M198-Y201 HydrophobicContact SD-CD1 4.21Å; Y201-Q203 VanDerWaalsContact C-N 3.26Å; Y201-Q203 PolarHBondContact O-N 3.13Å; Y201-Y204 WeakPolarHBondContact O-CB 3.39Å; Y201-Y204 PolarHBondContact O-N 3.19Å; Y201-I205 HydrophobicContact CD1-CG1 4.16Å; Y201-I205 HydrophobicContact CD2-CG1 4.42Å; Y201-I205 HydrophobicContact CE1-CD1 4.28Å; Y201-I205 HydrophobicContact CE1-CG1 3.7Å; Y201-I205 HydrophobicContact CE2-CD1 3.89Å; Y201-I205 HydrophobicContact CE2-CG1 3.98Å; Y201-I205 WeakPolarHBondContact O-CG1 3.47Å; Y201-I205 PolarHBondContact O-N 3.32Å
202	N	94.1	Very high	92.9	Very high	76 Å²	76	74 Å²	74	41%	0.406	37%	0.369	S	S	.	.	H	α-helix	trans	-60.1	-36.4	177.2	-74.9	-25.3	0	0	0	112.3	M198 G199 I200 I205 Q206	M198-N202 WeakPolarHBondContact O-CB 2.93Å; M198-N202 VanDerWaalsContact O-CG 3.24Å; M198-N202 PolarHBondContact O-N 3.41Å; M198-N202 PolarHBondContact O-ND2 3.37Å; G199-N202 PolarHBondContact O-N 2.83Å; I200-N202 PolarHBondContact O-N 2.93Å; N202-I205 PolarHBondContact O-N 2.94Å; N202-Q206 VanDerWaalsContact O-CG 3.3Å; N202-Q206 WeakPolarHBondContact O-CG 3.38Å; N202-Q206 PolarHBondContact O-N 3.28Å
203	Q	94.3	Very high	92.8	Very high	117 Å²	117	78.6 Å²	78.6	55%	0.547	38%	0.375	S	S	.	.	H	α-helix	trans	-62.3	-42.9	173.4	-173.3	-179.1	-8.3	0	0	111.7	G199 I200 Y201 I205 Q206 E207	G199-Q203 PolarHBondContact O-N 3.46Å; I200-Q203 WeakPolarHBondContact O-CB 3.49Å; I200-Q203 PolarHBondContact O-N 3.03Å; Y201-Q203 VanDerWaalsContact C-N 3.26Å; Y201-Q203 PolarHBondContact O-N 3.13Å; Q203-I205 PolarHBondContact O-N 3.5Å; Q203-Q206 PolarHBondContact O-N 3.2Å; Q203-E207 PolarHBondContact O-N 3.45Å
204	Y	93.9	Very high	92.7	Very high	70 Å²	70	76.5 Å²	76.5	28%	0.275	37%	0.369	S	S	.	.	H	α-helix	trans	-63.4	-40	175	-63.4	-34.4	0	0	0	112.7	L170 A173 V176 I200 Y201 E207 R208	L170-Y204 HydrophobicContact CD1-CD1 3.45Å; L170-Y204 VanDerWaalsContact CD1-CD1 3.45Å; L170-Y204 HydrophobicContact CD1-CE1 3.53Å; L170-Y204 HydrophobicContact CD1-CG 4.11Å; A173-Y204 HydrophobicContact CB-CD2 3.8Å; A173-Y204 HydrophobicContact CB-CG 4.19Å; V176-Y204 HydrophobicContact CG2-CE2 4.04Å; I200-Y204 HydrophobicContact CG2-CD2 4.26Å; I200-Y204 HydrophobicContact CG2-CE2 3.59Å; I200-Y204 PolarHBondContact O-N 3.4Å; I200-Y204 VanDerWaalsContact O-N 3.14Å; Y201-Y204 WeakPolarHBondContact O-CB 3.39Å; Y201-Y204 PolarHBondContact O-N 3.19Å; Y204-E207 PolarHBondContact O-N 3.32Å; Y204-R208 WeakPolarHBondContact O-CB 3.16Å; Y204-R208 PolarHBondContact O-N 2.91Å
205	I	93.5	Very high	92.5	Very high	32 Å²	32	75 Å²	75	16%	0.164	37%	0.366	C	S	.	.	H	α-helix	trans	-65.2	-41.4	176.6	-63.8	-55.7	0	0	0	111.4	Y201 N202 Q203 R208 H209	Y201-I205 HydrophobicContact CD1-CG1 4.16Å; Y201-I205 HydrophobicContact CD2-CG1 4.42Å; Y201-I205 HydrophobicContact CE1-CD1 4.28Å; Y201-I205 HydrophobicContact CE1-CG1 3.7Å; Y201-I205 HydrophobicContact CE2-CD1 3.89Å; Y201-I205 HydrophobicContact CE2-CG1 3.98Å; Y201-I205 WeakPolarHBondContact O-CG1 3.47Å; Y201-I205 PolarHBondContact O-N 3.32Å; N202-I205 PolarHBondContact O-N 2.94Å; Q203-I205 PolarHBondContact O-N 3.5Å; I205-R208 WeakPolarHBondContact O-CB 3.36Å; I205-R208 PolarHBondContact O-N 2.97Å; I205-H209 PolarHBondContact O-CD2 3.42Å; I205-H209 PolarHBondContact O-N 3.27Å
206	Q	93.3	Very high	92.1	Very high	137 Å²	137	72.2 Å²	72.2	64%	0.64	35%	0.347	S	S	*	.	H	α-helix	trans	-62	-45.1	174.7	-72.9	173.4	9.8	0	0	112.1	N202 Q203 R208 H209 F210	N202-Q206 VanDerWaalsContact O-CG 3.3Å; N202-Q206 WeakPolarHBondContact O-CG 3.38Å; N202-Q206 PolarHBondContact O-N 3.28Å; Q203-Q206 PolarHBondContact O-N 3.2Å; Q206-R208 VanDerWaalsContact C-N 3.31Å; Q206-R208 PolarHBondContact O-N 2.72Å; Q206-H209 PolarHBondContact O-N 3.1Å; Q206-F210 WeakPolarHBondContact O-CB 3.23Å; Q206-F210 PolarHBondContact O-N 3.44Å
207	E	92.7	Very high	91.6	Very high	64 Å²	64	73 Å²	73	30%	0.299	35%	0.349	S	S	.	.	H	α-helix	trans	-61.3	-39.7	174.6	-100.9	-156.2	106.1	0	0	112	Y169 Q203 Y204 F210 R211	Y169-E207 HydrophobicContact CD1-CB 4.05Å; Y169-E207 HydrophobicContact CE1-CB 3.68Å; Y169-E207 VanDerWaalsContact CE1-CD 3.5Å; Y169-E207 HydrophobicContact CE1-CG 4.24Å; Y169-E207 WeakPolarHBondContact CE1-OE2 3.35Å; Y169-E207 VanDerWaalsContact CZ-OE2 3.32Å; Y169-E207 VanDerWaalsContact OH-CD 3.28Å; Y169-E207 PolarHBondContact OH-OE1 3Å; Y169-E207 VanDerWaalsContact OH-OE1 3.13Å; Y169-E207 PolarHBondContact OH-OE2 3.46Å; Q203-E207 PolarHBondContact O-N 3.45Å; Y204-E207 PolarHBondContact O-N 3.32Å; E207-F210 PolarHBondContact O-N 3.08Å; E207-R211 WeakPolarHBondContact O-CB 2.99Å; E207-R211 VanDerWaalsContact O-CG 3.25Å; E207-R211 WeakPolarHBondContact O-CG 3.25Å; E207-R211 PolarHBondContact O-N 3.19Å; E207-R211 IonicContact OE1-CZ 2.71Å; E207-R211 IonicContact OE1-NE 3.37Å; E207-R211 IonicContact OE1-NH2 2.99Å; E207-R211 PolarHBondContact OE1-NH2 2.73Å
208	R	93.3	Very high	91.2	Very high	29 Å²	29	76.3 Å²	76.3	11%	0.109	36%	0.364	C	S	.	.	H	α-helix	trans	-61.4	-50.1	177	-171.2	-175.9	-64.9	170.5	-5	110.9	E168 E174 Y204 I205 Q206 F210 R211 H212	E168-R208 WeakPolarHBondContact OE2-CD 3.46Å; E168-R208 WeakPolarHBondContact OE2-CG 3.41Å; E174-R208 IonicContact OE1-CZ 2.88Å; E174-R208 IonicContact OE1-NH1 2.76Å; E174-R208 PolarHBondContact OE1-NH1 3.2Å; E174-R208 IonicContact OE1-NH2 3.67Å; E174-R208 PolarHBondContact OE1-NH2 3.17Å; E174-R208 IonicContact OE2-NH2 3.6Å; Y204-R208 WeakPolarHBondContact O-CB 3.16Å; Y204-R208 PolarHBondContact O-N 2.91Å; I205-R208 WeakPolarHBondContact O-CB 3.36Å; I205-R208 PolarHBondContact O-N 2.97Å; Q206-R208 VanDerWaalsContact C-N 3.31Å; Q206-R208 PolarHBondContact O-N 2.72Å; R208-F210 VanDerWaalsContact C-N 3.35Å; R208-F210 PolarHBondContact O-N 3.02Å; R208-R211 PolarHBondContact O-N 3.25Å; R208-H212 PolarHBondContact O-CD2 3Å; R208-H212 VanDerWaalsContact O-CD2 3.23Å; R208-H212 PolarHBondContact O-N 3.02Å
209	H	91.2	Very high	90.8	Very high	123 Å²	123	75 Å²	75	57%	0.569	36%	0.358	S	S	*	.	H	α-helix	trans	-61.1	-41.2	175.9	-74.2	-59.4	0	0	0	112.7	I205 Q206 R211 H212 R213	I205-H209 PolarHBondContact O-CD2 3.42Å; I205-H209 PolarHBondContact O-N 3.27Å; Q206-H209 PolarHBondContact O-N 3.1Å; H209-R211 VanDerWaalsContact C-N 3.33Å; H209-R211 PolarHBondContact O-N 2.96Å; H209-H212 PolarHBondContact O-N 3.4Å; H209-R213 WeakPolarHBondContact O-CB 3.47Å; H209-R213 PolarHBondContact O-N 3.15Å
210	F	92.9	Very high	90.5	Very high	130 Å²	130	76.6 Å²	76.6	57%	0.57	36%	0.357	S	S	*	.	H	α-helix	trans	-59	-44.7	175.1	175.3	-99.8	0	0	0	111.5	Q206 E207 R208 R213 L214	Q206-F210 WeakPolarHBondContact O-CB 3.23Å; Q206-F210 PolarHBondContact O-N 3.44Å; E207-F210 PolarHBondContact O-N 3.08Å; R208-F210 VanDerWaalsContact C-N 3.35Å; R208-F210 PolarHBondContact O-N 3.02Å; F210-R213 PolarHBondContact O-N 3.36Å; F210-L214 WeakPolarHBondContact O-CB 3.31Å; F210-L214 PolarHBondContact O-N 2.86Å
211	R	91.8	Very high	90.1	Very high	103 Å²	103	73.8 Å²	73.8	39%	0.389	34%	0.343	S	S	.	.	H	α-helix	trans	-67.1	-39.5	178.7	-71.5	167.9	-173.5	-107.7	0.6	112.6	Y169 E207 R208 H209 L214 A215	Y169-R211 VanDerWaalsContact CG-CD 3.43Å; Y169-R211 VanDerWaalsContact CZ-CZ 3.45Å; Y169-R211 PolarHBondContact OH-NH2 3.07Å; E207-R211 WeakPolarHBondContact O-CB 2.99Å; E207-R211 VanDerWaalsContact O-CG 3.25Å; E207-R211 WeakPolarHBondContact O-CG 3.25Å; E207-R211 PolarHBondContact O-N 3.19Å; E207-R211 IonicContact OE1-CZ 2.71Å; E207-R211 IonicContact OE1-NE 3.37Å; E207-R211 IonicContact OE1-NH2 2.99Å; E207-R211 PolarHBondContact OE1-NH2 2.73Å; R208-R211 PolarHBondContact O-N 3.25Å; H209-R211 VanDerWaalsContact C-N 3.33Å; H209-R211 PolarHBondContact O-N 2.96Å; R211-L214 PolarHBondContact O-N 3.39Å; R211-A215 VanDerWaalsContact O-CB 3.32Å; R211-A215 WeakPolarHBondContact O-CB 3.33Å; R211-A215 PolarHBondContact O-N 3.23Å
212	H	90.3	Very high	89.5	Confident	23 Å²	23	72.9 Å²	72.9	11%	0.106	34%	0.342	C	S	.	.	H	α-helix	trans	-59.8	-51.1	172.2	-83.9	-136.8	0	0	0	111.2	D163 F165 E168 R208 H209 L214 A215 R216	D163-H212 PolarHBondContact O-CE1 2.99Å; D163-H212 PolarHBondContact O-ND1 2.92Å; F165-H212 AromaticContact CD2-CE1 3.65Å; F165-H212 AromaticContact CD2-NE2 3.41Å; F165-H212 WeakPolarHBondContact CD2-NE2 3.5Å; F165-H212 AromaticContact CE2-CD2 3.99Å; F165-H212 AromaticContact CE2-CE1 3.97Å; F165-H212 AromaticContact CE2-NE2 3.81Å; E168-H212 IonicContact OE1-CE1 3.22Å; E168-H212 PolarHBondContact OE1-CE1 2.71Å; E168-H212 IonicContact OE1-NE2 3.69Å; E168-H212 PolarHBondContact OE1-NE2 3.49Å; E168-H212 IonicContact OE2-CD2 3.61Å; E168-H212 IonicContact OE2-CE1 2.68Å; E168-H212 IonicContact OE2-NE2 3.78Å; E168-H212 PolarHBondContact OE2-NE2 2.99Å; R208-H212 PolarHBondContact O-CD2 3Å; R208-H212 VanDerWaalsContact O-CD2 3.23Å; R208-H212 PolarHBondContact O-N 3.02Å; H209-H212 PolarHBondContact O-N 3.4Å; H212-L214 VanDerWaalsContact C-N 3.28Å; H212-L214 PolarHBondContact O-N 3.46Å; H212-A215 PolarHBondContact O-N 3.18Å; H212-A215 VanDerWaalsContact O-N 3.12Å; H212-R216 WeakPolarHBondContact O-CB 3.42Å; H212-R216 PolarHBondContact O-N 2.69Å
213	R	88.1	Confident	89.1	Confident	151 Å²	151	73.8 Å²	73.8	57%	0.57	34%	0.344	S	S	*	.	H	α-helix	trans	-56.5	-43.6	177	-171.9	-178.3	-178.4	103	0.1	111.4	E139 H209 F210 R216 S217	E139-R213 IonicContact OE1-CZ 3.76Å; E139-R213 IonicContact OE1-NH1 3.33Å; E139-R213 PolarHBondContact OE1-NH1 3.08Å; E139-R213 IonicContact OE1-NH2 2.97Å; H209-R213 WeakPolarHBondContact O-CB 3.47Å; H209-R213 PolarHBondContact O-N 3.15Å; F210-R213 PolarHBondContact O-N 3.36Å; R213-R216 PolarHBondContact O-N 3.45Å; R213-S217 VanDerWaalsContact O-CB 3.3Å; R213-S217 WeakPolarHBondContact O-CB 3.43Å; R213-S217 PolarHBondContact O-N 2.84Å; R213-S217 PolarHBondContact O-OG 3.39Å
214	L	90.5	Very high	88.6	Confident	69 Å²	69	73 Å²	73	36%	0.361	34%	0.343	S	S	.	.	H	α-helix	trans	-65.3	-43.8	176.7	-170.3	76.4	0	0	0	112.2	F210 R211 H212 R216 S217 H218	F210-L214 WeakPolarHBondContact O-CB 3.31Å; F210-L214 PolarHBondContact O-N 2.86Å; R211-L214 PolarHBondContact O-N 3.39Å; H212-L214 VanDerWaalsContact C-N 3.28Å; H212-L214 PolarHBondContact O-N 3.46Å; L214-R216 VanDerWaalsContact C-N 3.27Å; L214-R216 PolarHBondContact O-N 3.01Å; L214-S217 PolarHBondContact O-OG 3.25Å; L214-H218 VanDerWaalsContact CD1-CD2 3.43Å; L214-H218 WeakPolarHBondContact CD1-CD2 3.48Å; L214-H218 PolarHBondContact O-CD2 2.83Å; L214-H218 VanDerWaalsContact O-CD2 3.32Å; L214-H218 PolarHBondContact O-N 3.31Å
215	A	88.4	Confident	88.1	Confident	16 Å²	16	69.9 Å²	69.9	13%	0.132	33%	0.331	C	S	.	.	H	α-helix	trans	-61.8	-38.5	177.9	0	0	0	0	0	111.7	R211 H212 N219 L220 V221	R211-A215 VanDerWaalsContact O-CB 3.32Å; R211-A215 WeakPolarHBondContact O-CB 3.33Å; R211-A215 PolarHBondContact O-N 3.23Å; H212-A215 PolarHBondContact O-N 3.18Å; H212-A215 VanDerWaalsContact O-N 3.12Å; A215-N219 CarbonylContact O-C 3.6Å; A215-N219 PolarHBondContact O-N 3.41Å; A215-L220 PolarHBondContact O-N 3.22Å; A215-V221 HydrophobicContact CB-CG2 4.43Å
216	R	83.9	Confident	87.7	Confident	69 Å²	69	73.1 Å²	73.1	26%	0.26	34%	0.341	S	S	.	.	H	α-helix	trans	-73.4	-51.4	176.8	-179.3	176.4	170.3	153.7	-4.1	112.6	N142 N143 D163 H212 R213 L214 H218 N219	N142-R216 VanDerWaalsContact C-NH2 3.31Å; N142-R216 PolarHBondContact O-NH2 3.22Å; N143-R216 VanDerWaalsContact CA-NH2 3.31Å; N143-R216 VanDerWaalsContact OD1-CZ 3.26Å; N143-R216 PolarHBondContact OD1-NH1 2.96Å; N143-R216 VanDerWaalsContact OD1-NH1 3.15Å; N143-R216 PolarHBondContact OD1-NH2 3.12Å; D163-R216 IonicContact OD2-NH1 3.55Å; H212-R216 WeakPolarHBondContact O-CB 3.42Å; H212-R216 PolarHBondContact O-N 2.69Å; R213-R216 PolarHBondContact O-N 3.45Å; L214-R216 VanDerWaalsContact C-N 3.27Å; L214-R216 PolarHBondContact O-N 3.01Å; R216-H218 PolarHBondContact O-N 2.92Å; R216-N219 PolarHBondContact O-N 2.89Å; R216-N219 PolarHBondContact O-OD1 2.76Å
217	S	82.6	Confident	87.3	Confident	72 Å²	72	69.5 Å²	69.5	50%	0.503	33%	0.326	S	S	.	.	H	α-helix	trans	-59.5	-35	-176.5	65.7	0	0	0	0	112.6	R213 L214	R213-S217 VanDerWaalsContact O-CB 3.3Å; R213-S217 WeakPolarHBondContact O-CB 3.43Å; R213-S217 PolarHBondContact O-N 2.84Å; R213-S217 PolarHBondContact O-OG 3.39Å; L214-S217 PolarHBondContact O-OG 3.25Å
218	H	85.4	Confident	86.9	Confident	91 Å²	91	69.1 Å²	69.1	42%	0.421	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	9.2	178.3	-62	-71.3	0	0	0	113.6	L214 R216 L220	L214-H218 VanDerWaalsContact CD1-CD2 3.43Å; L214-H218 WeakPolarHBondContact CD1-CD2 3.48Å; L214-H218 PolarHBondContact O-CD2 2.83Å; L214-H218 VanDerWaalsContact O-CD2 3.32Å; L214-H218 PolarHBondContact O-N 3.31Å; R216-H218 PolarHBondContact O-N 2.92Å; H218-L220 HydrophobicContact CB-CD2 3.73Å; H218-L220 HydrophobicContact CB-CG 3.84Å; H218-L220 PolarHBondContact O-N 3.33Å
219	N	84.3	Confident	86.4	Confident	48 Å²	48	71.3 Å²	71.3	26%	0.257	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	30.6	-178.2	-70.8	-48.1	0	0	0	113.8	L144 A215 R216 V221 T222 H223	L144-N219 WeakPolarHBondContact CD2-ND2 3.23Å; A215-N219 CarbonylContact O-C 3.6Å; A215-N219 PolarHBondContact O-N 3.41Å; R216-N219 PolarHBondContact O-N 2.89Å; R216-N219 PolarHBondContact O-OD1 2.76Å; N219-V221 PolarHBondContact O-N 3.16Å; N219-V221 VanDerWaalsContact O-N 3.15Å; N219-T222 PolarHBondContact O-N 3.23Å; N219-T222 PolarHBondContact O-OG1 3.2Å; N219-H223 PolarHBondContact O-CD2 2.9Å; N219-H223 PolarHBondContact O-N 3.44Å
220	L	87	Confident	86.2	Confident	72 Å²	72	72 Å²	72	38%	0.377	34%	0.337	S	S	.	.	H	α-helix	trans	-58.7	-34	-171.9	-61.3	-176.2	0	0	0	111.8	A215 H218 T222 H223 L224	A215-L220 PolarHBondContact O-N 3.22Å; H218-L220 HydrophobicContact CB-CD2 3.73Å; H218-L220 HydrophobicContact CB-CG 3.84Å; H218-L220 PolarHBondContact O-N 3.33Å; L220-T222 VanDerWaalsContact C-N 3.32Å; L220-T222 PolarHBondContact O-N 2.94Å; L220-H223 PolarHBondContact O-N 3.39Å; L220-L224 WeakPolarHBondContact O-CB 3.07Å; L220-L224 VanDerWaalsContact O-CG 3.28Å; L220-L224 WeakPolarHBondContact O-CG 3.26Å; L220-L224 PolarHBondContact O-N 3.36Å
221	V	86.1	Confident	85.7	Confident	9 Å²	9	72 Å²	72	6%	0.055	34%	0.337	C	S	.	.	H	α-helix	trans	-57.9	-45.3	176.9	-174	0	0	0	0	111.2	L148 L156 Y158 F165 A215 N219 M225	L148-V221 HydrophobicContact CD1-CG1 3.72Å; L156-V221 HydrophobicContact CD1-CG1 3.45Å; L156-V221 VanDerWaalsContact CD1-CG1 3.45Å; Y158-V221 HydrophobicContact CD1-CG1 3.74Å; Y158-V221 HydrophobicContact CE1-CG1 4.08Å; Y158-V221 HydrophobicContact CE1-CG2 4.45Å; Y158-V221 HydrophobicContact CG-CG1 4.26Å; F165-V221 HydrophobicContact CE1-CG2 4.41Å; F165-V221 HydrophobicContact CZ-CG2 4.09Å; A215-V221 HydrophobicContact CB-CG2 4.43Å; N219-V221 PolarHBondContact O-N 3.16Å; N219-V221 VanDerWaalsContact O-N 3.15Å; V221-M225 PolarHBondContact O-N 3.44Å; V221-M225 VanDerWaalsContact O-N 3.09Å
222	T	82.8	Confident	85.2	Confident	29 Å²	29	71.1 Å²	71.1	18%	0.178	34%	0.337	C	S	.	.	H	α-helix	trans	-67.8	-38.4	177.6	70.6	0	0	0	0	111.7	N219 L220 M225 R226	N219-T222 PolarHBondContact O-N 3.23Å; N219-T222 PolarHBondContact O-OG1 3.2Å; L220-T222 VanDerWaalsContact C-N 3.32Å; L220-T222 PolarHBondContact O-N 2.94Å; T222-M225 PolarHBondContact O-N 2.95Å; T222-R226 WeakPolarHBondContact O-CG 3.21Å; T222-R226 PolarHBondContact O-N 3.39Å
223	H	84.5	Confident	84.7	Confident	96 Å²	96	72.6 Å²	72.6	44%	0.444	35%	0.349	S	S	.	.	H	α-helix	trans	-66	-44.7	177.4	-79.1	-84.8	0	0	0	112	N219 L220 M225 R226 D227	N219-H223 PolarHBondContact O-CD2 2.9Å; N219-H223 PolarHBondContact O-N 3.44Å; L220-H223 PolarHBondContact O-N 3.39Å; H223-M225 VanDerWaalsContact C-N 3.28Å; H223-M225 PolarHBondContact O-N 2.91Å; H223-R226 PolarHBondContact CE1-NH1 2.84Å; H223-R226 PolarHBondContact ND1-NH1 2.86Å; H223-R226 PolarHBondContact NE2-NH1 2.93Å; H223-R226 PolarHBondContact O-N 3.47Å; H223-D227 PolarHBondContact O-N 3.43Å
224	L	84.5	Confident	84.3	Confident	99 Å²	99	71.6 Å²	71.6	52%	0.518	35%	0.349	S	S	.	.	H	α-helix	trans	-58.9	-41.4	175	-73.3	172.2	0	0	0	111.1	L220 D227 L228	L220-L224 WeakPolarHBondContact O-CB 3.07Å; L220-L224 VanDerWaalsContact O-CG 3.28Å; L220-L224 WeakPolarHBondContact O-CG 3.26Å; L220-L224 PolarHBondContact O-N 3.36Å; L224-D227 WeakPolarHBondContact O-CB 3.49Å; L224-D227 PolarHBondContact O-N 3.25Å; L224-L228 WeakPolarHBondContact O-CG 3.33Å; L224-L228 PolarHBondContact O-N 3.38Å
225	M	83.2	Confident	83.6	Confident	6 Å²	6	74.1 Å²	74.1	3%	0.03	36%	0.359	C	S	.	.	H	α-helix	trans	-63.9	-45	174.3	-82.4	-59.1	-48.6	0	0	113.5	L148 H152 L156 V221 T222 H223 D227 L228 I229	L148-M225 HydrophobicContact CD2-CB 4.29Å; L148-M225 HydrophobicContact CD2-CG 3.78Å; H152-M225 HydrophobicContact CB-CE 3.37Å; H152-M225 HydrophobicContact CB-CG 4.49Å; H152-M225 HydrophobicContact CB-SD 3.96Å; H152-M225 WeakPolarHBondContact CD2-CE 3.44Å; L156-M225 HydrophobicContact CD1-CG 3.27Å; L156-M225 HydrophobicContact CD1-SD 3.64Å; L156-M225 HydrophobicContact CD2-CG 4.05Å; L156-M225 HydrophobicContact CD2-SD 3.77Å; L156-M225 HydrophobicContact CG-CG 3.8Å; L156-M225 HydrophobicContact CG-SD 3.46Å; L156-M225 WeakPolarHBondContact CG-SD 3.19Å; V221-M225 PolarHBondContact O-N 3.44Å; V221-M225 VanDerWaalsContact O-N 3.09Å; T222-M225 PolarHBondContact O-N 2.95Å; H223-M225 VanDerWaalsContact C-N 3.28Å; H223-M225 PolarHBondContact O-N 2.91Å; M225-D227 PolarHBondContact O-N 3.4Å; M225-L228 PolarHBondContact O-N 2.95Å; M225-L228 HydrophobicContact SD-CD1 3.97Å; M225-I229 HydrophobicContact CE-CD1 4.18Å; M225-I229 HydrophobicContact CE-CG1 4.19Å; M225-I229 VanDerWaalsContact O-CG1 3.27Å; M225-I229 WeakPolarHBondContact O-CG1 3.15Å; M225-I229 PolarHBondContact O-N 3.11Å
226	R	84.2	Confident	82.9	Confident	99 Å²	99	79.6 Å²	79.6	37%	0.374	38%	0.38	S	S	.	.	H	α-helix	trans	-55.7	-39.6	174	-69.4	-172.3	-154.3	109.8	-1.3	110.8	T222 H223 R230	T222-R226 WeakPolarHBondContact O-CG 3.21Å; T222-R226 PolarHBondContact O-N 3.39Å; H223-R226 PolarHBondContact CE1-NH1 2.84Å; H223-R226 PolarHBondContact ND1-NH1 2.86Å; H223-R226 PolarHBondContact NE2-NH1 2.93Å; H223-R226 PolarHBondContact O-N 3.47Å; R226-R230 VanDerWaalsContact O-CB 3.29Å; R226-R230 WeakPolarHBondContact O-CB 3.37Å; R226-R230 PolarHBondContact O-N 2.99Å
227	D	85.5	Confident	82.4	Confident	61 Å²	61	81.6 Å²	81.6	33%	0.326	40%	0.395	S	S	.	.	H	α-helix	trans	-69.9	-39.3	177.5	-84.6	-25.3	0	0	0	113.9	H223 L224 M225 R230 K231	H223-D227 PolarHBondContact O-N 3.43Å; L224-D227 WeakPolarHBondContact O-CB 3.49Å; L224-D227 PolarHBondContact O-N 3.25Å; M225-D227 PolarHBondContact O-N 3.4Å; D227-R230 PolarHBondContact O-N 3.49Å; D227-R230 IonicContact OD1-CZ 3.33Å; D227-R230 IonicContact OD1-NE 3.28Å; D227-R230 PolarHBondContact OD1-NE 3.34Å; D227-R230 IonicContact OD1-NH2 2.69Å; D227-R230 PolarHBondContact OD1-NH2 3.05Å; D227-K231 WeakPolarHBondContact O-CB 3.47Å; D227-K231 WeakPolarHBondContact O-CG 3.18Å; D227-K231 PolarHBondContact O-N 3.14Å
228	L	84	Confident	81.8	Confident	56 Å²	56	80.7 Å²	80.7	29%	0.293	39%	0.389	S	S	.	.	H	α-helix	trans	-63.2	-45.7	174.3	-71.3	174.2	0	0	0	111.2	L155 L156 L224 M225 R230 K231 Q232	L155-L228 HydrophobicContact CD2-CB 4.4Å; L155-L228 HydrophobicContact CD2-CD1 3.98Å; L155-L228 HydrophobicContact CG-CD1 4.32Å; L156-L228 HydrophobicContact CD2-CD1 3.84Å; L224-L228 WeakPolarHBondContact O-CG 3.33Å; L224-L228 PolarHBondContact O-N 3.38Å; M225-L228 PolarHBondContact O-N 2.95Å; M225-L228 HydrophobicContact SD-CD1 3.97Å; L228-R230 VanDerWaalsContact C-N 3.32Å; L228-R230 PolarHBondContact O-N 3.01Å; L228-K231 PolarHBondContact O-N 3.31Å; L228-Q232 WeakPolarHBondContact O-CG 3.17Å; L228-Q232 PolarHBondContact O-N 2.93Å
229	I	83.9	Confident	81	Confident	75 Å²	75	81.2 Å²	81.2	39%	0.385	40%	0.395	S	S	.	.	H	α-helix	trans	-60.2	-44.3	176.1	-65.3	164.3	0	0	0	110.2	M225 K231 Q232 S233	M225-I229 HydrophobicContact CE-CD1 4.18Å; M225-I229 HydrophobicContact CE-CG1 4.19Å; M225-I229 VanDerWaalsContact O-CG1 3.27Å; M225-I229 WeakPolarHBondContact O-CG1 3.15Å; M225-I229 PolarHBondContact O-N 3.11Å; I229-K231 VanDerWaalsContact C-N 3.35Å; I229-K231 PolarHBondContact O-N 3.35Å; I229-Q232 PolarHBondContact O-N 3.26Å; I229-S233 PolarHBondContact O-N 3.32Å; I229-S233 PolarHBondContact O-OG 3.09Å
230	R	85.8	Confident	80.2	Confident	138 Å²	138	87.1 Å²	87.1	52%	0.521	42%	0.415	S	S	.	.	H	α-helix	trans	-64.3	-35.6	177.2	-174.9	173.1	65.6	153.3	-1.4	112.9	R226 D227 L228 S233 K234	R226-R230 VanDerWaalsContact O-CB 3.29Å; R226-R230 WeakPolarHBondContact O-CB 3.37Å; R226-R230 PolarHBondContact O-N 2.99Å; D227-R230 PolarHBondContact O-N 3.49Å; D227-R230 IonicContact OD1-CZ 3.33Å; D227-R230 IonicContact OD1-NE 3.28Å; D227-R230 PolarHBondContact OD1-NE 3.34Å; D227-R230 IonicContact OD1-NH2 2.69Å; D227-R230 PolarHBondContact OD1-NH2 3.05Å; L228-R230 VanDerWaalsContact C-N 3.32Å; L228-R230 PolarHBondContact O-N 3.01Å; R230-S233 PolarHBondContact O-OG 3.24Å; R230-K234 WeakPolarHBondContact O-CG 3.19Å; R230-K234 PolarHBondContact O-N 3.32Å
231	K	83.3	Confident	79.1	Confident	131 Å²	131	90.3 Å²	90.3	57%	0.57	43%	0.431	S	S	*	.	H	α-helix	trans	-69	-42.1	174.8	-76	174.5	-178.2	176.2	0	111.3	D227 L228 I229 K234 Q235	D227-K231 WeakPolarHBondContact O-CB 3.47Å; D227-K231 WeakPolarHBondContact O-CG 3.18Å; D227-K231 PolarHBondContact O-N 3.14Å; L228-K231 PolarHBondContact O-N 3.31Å; I229-K231 VanDerWaalsContact C-N 3.35Å; I229-K231 PolarHBondContact O-N 3.35Å; K231-K234 PolarHBondContact O-N 3.07Å; K231-Q235 WeakPolarHBondContact O-CG 3.26Å; K231-Q235 PolarHBondContact O-N 3.47Å
232	Q	80.6	Confident	77.9	Confident	84 Å²	84	94.3 Å²	94.3	39%	0.393	46%	0.459	S	S	.	.	H	α-helix	trans	-65.1	-40.1	177	-69.5	-179.2	27.6	0	0	112.4	L228 I229 Q235 K236	L228-Q232 WeakPolarHBondContact O-CG 3.17Å; L228-Q232 PolarHBondContact O-N 2.93Å; I229-Q232 PolarHBondContact O-N 3.26Å; Q232-Q235 PolarHBondContact O-N 2.9Å; Q232-K236 WeakPolarHBondContact O-CG 3.16Å; Q232-K236 PolarHBondContact O-N 3.32Å
233	S	80.8	Confident	76.2	Confident	53 Å²	53	102 Å²	102	37%	0.371	49%	0.485	S	S	.	.	H	α-helix	trans	-65.9	-40.4	177.2	67.2	0	0	0	0	112.2	I229 R230 K236 L237	I229-S233 PolarHBondContact O-N 3.32Å; I229-S233 PolarHBondContact O-OG 3.09Å; R230-S233 PolarHBondContact O-OG 3.24Å; S233-K236 PolarHBondContact O-N 3.4Å; S233-L237 WeakPolarHBondContact O-CD1 3.02Å; S233-L237 PolarHBondContact O-N 2.97Å
234	K	79.1	Confident	74.4	Confident	131 Å²	131	104 Å²	104	57%	0.57	51%	0.506	S	S	*	.	H	α-helix	trans	-62.2	-43.1	173.6	-75	179	179.3	-175	0	112.5	R230 K231 L237 S238	R230-K234 WeakPolarHBondContact O-CG 3.19Å; R230-K234 PolarHBondContact O-N 3.32Å; K231-K234 PolarHBondContact O-N 3.07Å; K234-L237 PolarHBondContact O-N 3.22Å; K234-S238 PolarHBondContact O-N 3.29Å; K234-S238 PolarHBondContact O-OG 3.2Å
235	Q	75.5	Confident	72.6	Confident	122 Å²	122	102.2 Å²	102.2	57%	0.57	51%	0.512	S	S	*	.	H	α-helix	trans	-62.5	-44.6	175.9	-75	176.1	2.7	0	0	111.4	K231 Q232 L237 S238 N239	K231-Q235 WeakPolarHBondContact O-CG 3.26Å; K231-Q235 PolarHBondContact O-N 3.47Å; Q232-Q235 PolarHBondContact O-N 2.9Å; Q235-L237 PolarHBondContact O-N 3.3Å; Q235-S238 WeakPolarHBondContact CA-OG 3.37Å; Q235-S238 PolarHBondContact O-N 3.02Å; Q235-S238 PolarHBondContact O-OG 3.46Å; Q235-N239 PolarHBondContact O-N 3.15Å; Q235-N239 PolarHBondContact O-OD1 3.46Å
236	K	75	Confident	70.7	Confident	130 Å²	130	108.6 Å²	108.6	57%	0.565	55%	0.551	S	S	*	*	H	α-helix	trans	-59.3	-47.4	175.1	-72.8	177.1	-177.9	177.7	0	111.8	Q232 S233 S238 N239 Y240	Q232-K236 WeakPolarHBondContact O-CG 3.16Å; Q232-K236 PolarHBondContact O-N 3.32Å; S233-K236 PolarHBondContact O-N 3.4Å; K236-S238 PolarHBondContact O-N 3.44Å; K236-N239 PolarHBondContact O-N 2.86Å; K236-Y240 WeakPolarHBondContact O-CD2 3.27Å; K236-Y240 PolarHBondContact O-N 3.36Å
237	L	71.4	Confident	68.5	Low	111 Å²	111	109.9 Å²	109.9	58%	0.581	56%	0.564	S	S	*	*	H	α-helix	trans	-60.4	-43	175.5	-100.6	111	0	0	0	112.5	S233 K234 Q235 N239 Y240 I241	S233-L237 WeakPolarHBondContact O-CD1 3.02Å; S233-L237 PolarHBondContact O-N 2.97Å; K234-L237 PolarHBondContact O-N 3.22Å; Q235-L237 PolarHBondContact O-N 3.3Å; L237-N239 VanDerWaalsContact C-N 3.28Å; L237-N239 PolarHBondContact O-N 2.99Å; L237-Y240 PolarHBondContact O-N 2.91Å; L237-I241 WeakPolarHBondContact O-CG1 3.35Å; L237-I241 PolarHBondContact O-N 3.38Å
238	S	70.9	Confident	66.2	Low	54 Å²	54	117 Å²	117	38%	0.378	59%	0.592	S	S	.	*	H	α-helix	trans	-63.3	-34.8	177.1	71.4	0	0	0	0	112.5	K234 Q235 K236 I241 S242	K234-S238 PolarHBondContact O-N 3.29Å; K234-S238 PolarHBondContact O-OG 3.2Å; Q235-S238 WeakPolarHBondContact CA-OG 3.37Å; Q235-S238 PolarHBondContact O-N 3.02Å; Q235-S238 PolarHBondContact O-OG 3.46Å; K236-S238 PolarHBondContact O-N 3.44Å; S238-I241 PolarHBondContact O-N 2.96Å; S238-S242 VanDerWaalsContact O-CB 3.32Å; S238-S242 WeakPolarHBondContact O-CB 3.21Å; S238-S242 PolarHBondContact O-N 3.38Å; S238-S242 PolarHBondContact O-OG 2.94Å
239	N	67.7	Low	63.8	Low	102 Å²	102	125.1 Å²	125.1	55%	0.545	62%	0.619	S	S	.	*	H	α-helix	trans	-71.1	-34.4	176.2	-68.8	-8.4	0	0	0	112.2	Q235 K236 L237 S242 R243	Q235-N239 PolarHBondContact O-N 3.15Å; Q235-N239 PolarHBondContact O-OD1 3.46Å; K236-N239 PolarHBondContact O-N 2.86Å; L237-N239 VanDerWaalsContact C-N 3.28Å; L237-N239 PolarHBondContact O-N 2.99Å; N239-S242 PolarHBondContact O-N 3.2Å; N239-R243 PolarHBondContact O-N 3.46Å
240	Y	67.4	Low	61.5	Low	171 Å²	171	124.4 Å²	124.4	67%	0.671	63%	0.63	S	S	*	*	H	α-helix	trans	-68.7	-39.8	173.4	-80.3	-70.8	0	0	0	112.4	K236 L237 S242 R243	K236-Y240 WeakPolarHBondContact O-CD2 3.27Å; K236-Y240 PolarHBondContact O-N 3.36Å; L237-Y240 PolarHBondContact O-N 2.91Å; Y240-S242 VanDerWaalsContact C-N 3.3Å; Y240-R243 PolarHBondContact O-N 3.38Å
241	I	65.1	Low	58.8	Low	139 Å²	139	123.3 Å²	123.3	71%	0.713	64%	0.642	S	S	*	*	H	α-helix	trans	-68.6	-32.5	176.3	-62.9	165.6	0	0	0	110.9	L237 S238	L237-I241 WeakPolarHBondContact O-CG1 3.35Å; L237-I241 PolarHBondContact O-N 3.38Å; S238-I241 PolarHBondContact O-N 2.96Å
242	S	59.9	Low	56.6	Low	93 Å²	93	128 Å²	128	65%	0.65	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.1	-0.7	-179	-52.1	0	0	0	0	114.3	S238 N239 Y240 P244	S238-S242 VanDerWaalsContact O-CB 3.32Å; S238-S242 WeakPolarHBondContact O-CB 3.21Å; S238-S242 PolarHBondContact O-N 3.38Å; S238-S242 PolarHBondContact O-OG 2.94Å; N239-S242 PolarHBondContact O-N 3.2Å; Y240-S242 VanDerWaalsContact C-N 3.3Å; S242-P244 VanDerWaalsContact O-CD 3.25Å; S242-P244 WeakPolarHBondContact O-CD 3.33Å
243	R	47.3	Very low	54.4	Low	192 Å²	192	130 Å²	130	73%	0.725	68%	0.676	S	S	*	*	S	Bend	trans	-85.9	108.5	171.9	-86.3	-176.4	166.5	-169.2	-4.3	109.4	N239 Y240 G245	N239-R243 PolarHBondContact O-N 3.46Å; Y240-R243 PolarHBondContact O-N 3.38Å; R243-G245 PolarHBondContact O-N 2.9Å; R243-G245 VanDerWaalsContact O-N 3.08Å
244	P	47.8	Very low	51.9	Low	136 Å²	136	137.4 Å²	137.4	88%	0.883	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73	104.8	177.2	30	-30	0	0	0	108.2	S242	S242-P244 VanDerWaalsContact O-CD 3.25Å; S242-P244 WeakPolarHBondContact O-CD 3.33Å
245	G	46.8	Very low	49.7	Very low	63 Å²	63	143.2 Å²	143.2	65%	0.649	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	170.7	-9.9	177.8	0	0	0	0	0	117.8	R243 I247	R243-G245 PolarHBondContact O-N 2.9Å; R243-G245 VanDerWaalsContact O-N 3.08Å; G245-I247 PolarHBondContact O-N 3.35Å
246	V	43.5	Very low	47.4	Very low	140 Å²	140	142.5 Å²	142.5	85%	0.848	73%	0.729	S	S	*	*			trans	-83.4	91.5	173.1	-172.8	0	0	0	0	109.3	K248	V246-K248 PolarHBondContact O-N 2.85Å
247	I	38	Very low	45.5	Very low	126 Å²	126	141.7 Å²	141.7	65%	0.646	74%	0.739	S	S	*	*			trans	-51.4	121.1	175.1	-64.1	169.2	0	0	0	109.8	G245 R249	G245-I247 PolarHBondContact O-N 3.35Å; I247-R249 HydrophobicContact CG2-CG 4.04Å; I247-R249 PolarHBondContact O-N 3.49Å
248	K	37.3	Very low	43.6	Very low	209 Å²	209	146.1 Å²	146.1	91%	0.909	76%	0.756	S	S	*	*			trans	-56.9	102.2	164	-74	178.5	177.6	176.1	0	109.1	V246	V246-K248 PolarHBondContact O-N 2.85Å
249	R	33.4	Very low	41.7	Very low	228 Å²	228	146.8 Å²	146.8	86%	0.86	77%	0.772	S	S	*	*			trans	-128.2	99.5	159.9	-81.4	-177.4	-170.2	167.2	3.2	108.7	I247	I247-R249 HydrophobicContact CG2-CG 4.04Å; I247-R249 PolarHBondContact O-N 3.49Å
250	G	35.2	Very low	39.9	Very low	60 Å²	60	147.2 Å²	147.2	62%	0.619	78%	0.783	S	S	*	*			trans	-159.6	51.4	171.5	0	0	0	0	0	108.3	Y252	G250-Y252 PolarHBondContact O-N 2.88Å
251	C	28.4	Very low	38	Very low	115 Å²	115	146 Å²	146	78%	0.777	79%	0.793	S	S	*	*			trans	-68.4	104.9	166.3	-65.2	0	0	0	0	107.1	T253	C251-T253 PolarHBondContact O-N 3.25Å
252	Y	37	Very low	36.4	Very low	230 Å²	230	144 Å²	144	90%	0.902	79%	0.791	S	S	*	*			trans	-84.5	101.4	154.5	-65.2	-73.8	0	0	0	106.8	G250	G250-Y252 PolarHBondContact O-N 2.88Å
253	T	34.7	Very low	35.1	Very low	124 Å²	124	150.9 Å²	150.9	76%	0.761	80%	0.803	S	S	*	*			trans	-56.5	134.7	177.4	42.8	0	0	0	0	111.6	C251 R255	C251-T253 PolarHBondContact O-N 3.25Å; T253-R255 PolarHBondContact O-N 3.28Å
254	K	28.7	Very low	34.5	Very low	210 Å²	210	149 Å²	149	91%	0.913	81%	0.806	S	S	*	*			trans	-46.2	120.2	170.1	-66	171.5	176.8	177.1	0	110.7
255	R	32.6	Very low	33.8	Very low	252 Å²	252	151 Å²	151	95%	0.951	80%	0.801	S	S	*	*			trans	-96.4	104.4	152	-116.5	-178.3	-172.8	-175.9	2	107.4	T253	T253-R255 PolarHBondContact O-N 3.28Å
256	S	27.3	Very low	33.2	Very low	108 Å²	108	157.8 Å²	157.8	76%	0.755	81%	0.812	S	S	*	*			trans	-77.7	124.1	161.6	55.2	0	0	0	0	109
257	S	36.1	Very low	32.6	Very low	113 Å²	113	157 Å²	157	79%	0.79	81%	0.807	S	S	*	*			trans	-174.8	128	135	59.2	0	0	0	0	109.4
258	H	30.4	Very low	32.2	Very low	203 Å²	203	156 Å²	156	94%	0.94	81%	0.812	S	S	*	*			trans	-34.6	136	175	-69.6	-99.6	0	0	0	116
259	G	30.9	Very low	31.8	Very low	68 Å²	68	157.6 Å²	157.6	70%	0.701	81%	0.812	S	S	*	*			trans	-179.4	83.8	171	0	0	0	0	0	110.9
260	S	30.8	Very low	31.6	Very low	112 Å²	112	158 Å²	158	78%	0.783	81%	0.814	S	S	*	*			trans	51.3	107.7	152.7	-44.3	0	0	0	0	118.4	S262	S260-S262 PolarHBondContact O-N 3.46Å
261	V	27.5	Very low	31.3	Very low	146 Å²	146	162.8 Å²	162.8	89%	0.885	82%	0.824	S	S	*	*			trans	-57.6	91.8	168	-179.1	0	0	0	0	110.5
262	S	31.9	Very low	31.2	Very low	96 Å²	96	163.2 Å²	163.2	67%	0.671	83%	0.827	S	S	*	*			trans	-104.7	106.2	162.2	-68.9	0	0	0	0	108.4	S260 I264	S260-S262 PolarHBondContact O-N 3.46Å; S262-I264 VanDerWaalsContact C-N 3.3Å; S262-I264 PolarHBondContact O-N 3.3Å
263	R	32	Very low	30.7	Very low	237 Å²	237	162.2 Å²	162.2	89%	0.894	82%	0.823	S	S	*	*			trans	-53.6	88.7	168.8	-82.2	178.9	178.4	168.6	-0.2	110	K265	R263-K265 PolarHBondContact O-N 2.92Å; R263-K265 VanDerWaalsContact O-N 3.14Å
264	I	33.6	Very low	30.5	Very low	154 Å²	154	161.6 Å²	161.6	79%	0.79	82%	0.824	S	S	*	*			trans	-83.7	91.3	163.8	-61.2	175.8	0	0	0	106.7	S262 K266	S262-I264 VanDerWaalsContact C-N 3.3Å; S262-I264 PolarHBondContact O-N 3.3Å; I264-K266 PolarHBondContact O-N 3.2Å
265	K	33.7	Very low	30.3	Very low	178 Å²	178	159 Å²	159	77%	0.774	82%	0.82	S	S	*	*			trans	-49	125.1	161.8	-88.5	174.8	173.4	173.3	0	108.1	R263 V267	R263-K265 PolarHBondContact O-N 2.92Å; R263-K265 VanDerWaalsContact O-N 3.14Å; K265-V267 VanDerWaalsContact C-N 3.31Å; K265-V267 PolarHBondContact O-N 3.37Å
266	K	33.7	Very low	30.2	Very low	205 Å²	205	152.3 Å²	152.3	89%	0.891	81%	0.811	S	S	*	*			trans	-52.4	94.6	161.3	-81.2	175.5	173.8	173.4	0	108.9	I264 S268	I264-K266 PolarHBondContact O-N 3.2Å; K266-S268 PolarHBondContact O-N 3.47Å
267	V	30.9	Very low	30.1	Very low	122 Å²	122	153.8 Å²	153.8	74%	0.739	82%	0.82	S	S	*	*			trans	-80.6	99.1	158.5	177.3	0	0	0	0	105.4	K265 R269	K265-V267 VanDerWaalsContact C-N 3.31Å; K265-V267 PolarHBondContact O-N 3.37Å; V267-R269 PolarHBondContact O-N 2.97Å
268	S	29.4	Very low	29.6	Very low	106 Å²	106	159.5 Å²	159.5	74%	0.741	82%	0.824	S	S	*	*			trans	-52.6	106.7	160.7	-62.8	0	0	0	0	107.5	K266 R270	K266-S268 PolarHBondContact O-N 3.47Å; S268-R270 PolarHBondContact O-N 3.43Å
269	R	30.4	Very low	29.4	Very low	243 Å²	243	159 Å²	159	92%	0.917	82%	0.82	S	S	*	*			trans	-60.5	101.1	172.5	-73.6	-179.4	-179.7	171	-1	107.5	V267 L271	V267-R269 PolarHBondContact O-N 2.97Å; R269-L271 PolarHBondContact O-N 2.93Å
270	R	28.8	Very low	29.2	Very low	237 Å²	237	167.1 Å²	167.1	89%	0.894	83%	0.829	S	S	*	*			trans	-64	123.2	166.3	-119.9	177.2	-95.4	-158.9	-4.8	106.7	S268 C272	S268-R270 PolarHBondContact O-N 3.43Å; R270-C272 PolarHBondContact O-N 3.22Å
271	L	28.1	Very low	28.8	Very low	159 Å²	159	170.3 Å²	170.3	83%	0.832	83%	0.832	S	S	*	*			trans	-56.1	115.6	169.5	-77	134.1	0	0	0	108.7	R269 Y273	R269-L271 PolarHBondContact O-N 2.93Å; L271-Y273 PolarHBondContact O-N 2.8Å
272	C	27.6	Very low	28.6	Very low	124 Å²	124	170 Å²	170	84%	0.838	83%	0.831	S	S	*	*			trans	-71.8	104.2	160	-69.1	0	0	0	0	107.3	R270 S274	R270-C272 PolarHBondContact O-N 3.22Å; C272-S274 PolarHBondContact O-N 3.19Å
273	Y	25.8	Very low	28.3	Very low	210 Å²	210	170.4 Å²	170.4	82%	0.824	84%	0.839	S	S	*	*			trans	-68.1	108.9	155.3	-103	-100.6	0	0	0	106.8	L271	L271-Y273 PolarHBondContact O-N 2.8Å
274	S	29.9	Very low	27.8	Very low	110 Å²	110	170 Å²	170	77%	0.769	84%	0.839	S	S	*	*			trans	-98.6	102.2	162.6	52	0	0	0	0	107.7	C272 S276	C272-S274 PolarHBondContact O-N 3.19Å; S274-S276 PolarHBondContact O-N 2.74Å; S274-S276 VanDerWaalsContact O-N 3.09Å
275	D	25.4	Very low	27.4	Very low	156 Å²	156	168.2 Å²	168.2	83%	0.834	84%	0.84	S	S	*	*			trans	-56.9	103.9	167	-76.3	-41.1	0	0	0	109.9
276	S	29.5	Very low	27.3	Very low	111 Å²	111	165 Å²	165	78%	0.776	84%	0.838	S	S	*	*			trans	-149.3	60.6	161	-173.8	0	0	0	0	110.3	S274	S274-S276 PolarHBondContact O-N 2.74Å; S274-S276 VanDerWaalsContact O-N 3.09Å
277	C	25.8	Very low	26.8	Very low	139 Å²	139	164.7 Å²	164.7	94%	0.939	84%	0.837	S	S	*	*			trans	-132.7	80.4	163	-77.6	0	0	0	0	109.1
278	R	26.6	Very low	26.7	Very low	233 Å²	233	167 Å²	167	88%	0.879	84%	0.844	S	S	*	*			trans	-126.2	124.7	160.7	-116.1	179.6	179.6	174.2	0.6	109.1
279	K	26.5	Very low	26.3	Very low	193 Å²	193	171.3 Å²	171.3	84%	0.839	85%	0.849	S	S	*	*			trans	76.5	93.8	164	-56.2	-177.8	178.3	-176.8	0	117.1
280	R	26.6	Very low	26	Very low	238 Å²	238	166.6 Å²	166.6	90%	0.898	84%	0.842	S	S	*	*			trans	-157.3	77.2	132.3	-142.8	172.4	-66.9	-163.6	0.7	110.8
281	E	21.3	Very low	26	Very low	180 Å²	180	165 Å²	165	84%	0.841	84%	0.836	S	S	*	*			trans	-73.3	155.6	147.6	-74	173.6	159.4	0	0	107.8
282	T	24.4	Very low	25.7	Very low	140 Å²	140	163.1 Å²	163.1	86%	0.859	83%	0.831	S	S	*	*			trans	75.8	87.3	179.5	77.8	0	0	0	0	117
283	A	25.7	Very low	25.7	Very low	103 Å²	103	165.6 Å²	165.6	85%	0.851	82%	0.824	S	S	*	*			trans	-163.3	99.6	138.3	0	0	0	0	0	110
284	Y	20.5	Very low	25.6	Very low	228 Å²	228	166.2 Å²	166.2	89%	0.894	83%	0.825	S	S	*	*			trans	-71.4	126.1	165.3	-144.1	-99.2	0	0	0	108.4
285	S	25.4	Very low	25.2	Very low	117 Å²	117	169.2 Å²	169.2	82%	0.818	83%	0.83	S	S	*	*			trans	-166.1	122.8	154.2	-89.9	0	0	0	0	111.7
286	P	30.7	Very low	25	Very low	111 Å²	111	166 Å²	166	72%	0.721	82%	0.82	S	S	*	*			trans	-96.2	112.2	-174.8	34.5	-28.3	0	0	0	111.1
287	K	23.4	Very low	24.8	Very low	199 Å²	199	168.6 Å²	168.6	87%	0.865	83%	0.825	S	S	*	*			trans	-148.3	110.9	161.1	-69	-172	-178.1	173.3	0	108.6
288	L	28.4	Very low	24.7	Very low	169 Å²	169	171.1 Å²	171.1	89%	0.885	82%	0.821	S	S	*	*			trans	179.1	71.9	134.1	-90.3	165	0	0	0	108.8
289	K	22.2	Very low	24.6	Very low	197 Å²	197	167.6 Å²	167.6	86%	0.857	82%	0.82	S	S	*	*			trans	-67.2	145.1	143.9	-93.7	177.9	173.6	175.5	0	107.6
290	N	24.4	Very low	24.4	Very low	144 Å²	144	167.7 Å²	167.7	77%	0.77	82%	0.82	S	S	*	*			trans	84	83.4	172.3	-59.1	-11.1	0	0	0	116.8
291	R	27.3	Very low	24.3	Very low	204 Å²	204	163.9 Å²	163.9	77%	0.77	82%	0.818	S	S	*	*			trans	-122.2	84.8	144.4	-145.9	170.3	-173.1	-178.5	-5.9	109.4	Y293	R291-Y293 HydrophobicContact CG-CD2 3.99Å; R291-Y293 HydrophobicContact CG-CE2 3.68Å; R291-Y293 PolarHBondContact NE-OH 2.71Å; R291-Y293 PolarHBondContact NH2-OH 2.54Å; R291-Y293 PolarHBondContact O-N 2.83Å
292	V	21.7	Very low	24.4	Very low	119 Å²	119	159.8 Å²	159.8	72%	0.721	81%	0.809	S	S	*	*			trans	-73.5	110	163.2	174.6	0	0	0	0	106.7
293	Y	27.6	Very low	24.4	Very low	177 Å²	177	161 Å²	161	69%	0.694	81%	0.81	S	S	*	*			trans	-100.4	128.7	158.5	-85.4	-68.5	0	0	0	109.4	R291	R291-Y293 HydrophobicContact CG-CD2 3.99Å; R291-Y293 HydrophobicContact CG-CE2 3.68Å; R291-Y293 PolarHBondContact NE-OH 2.71Å; R291-Y293 PolarHBondContact NH2-OH 2.54Å; R291-Y293 PolarHBondContact O-N 2.83Å
294	R	23.8	Very low	24.4	Very low	223 Å²	223	160.2 Å²	160.2	84%	0.842	80%	0.804	S	S	*	*			trans	-76.2	141.5	-168.9	-62.9	-177.8	-172.7	169.9	3.2	111	S296	R294-S296 PolarHBondContact O-N 2.81Å
295	I	21.6	Very low	24.5	Very low	172 Å²	172	158.4 Å²	158.4	88%	0.882	81%	0.806	S	S	*	*			trans	-72	108.1	161.1	-62	161.6	0	0	0	107.6
296	S	22.2	Very low	24.5	Very low	89 Å²	89	161.4 Å²	161.4	62%	0.622	81%	0.809	S	S	*	*			trans	178.5	108.1	147	15.2	0	0	0	0	107.4	R294	R294-S296 PolarHBondContact O-N 2.81Å
297	D	25.2	Very low	24.4	Very low	166 Å²	166	161.2 Å²	161.2	89%	0.888	81%	0.811	S	S	*	*				-166.6	115.2	127.3	-85.3	-23.2	0	0	0	109
298	F	22.5	Very low	24.5	Very low	191 Å²	191	154.3 Å²	154.3	84%	0.838	80%	0.795	S	S	*	*			trans	-65.7	138.1	167.5	-85.8	-103.9	0	0	0	109.8
299	N	24.6	Very low	24.4	Very low	160 Å²	160	157.2 Å²	157.2	86%	0.856	80%	0.795	S	S	*	*				-177	135.2	115.1	-103.9	-21.8	0	0	0	112.3	N301	N299-N301 PolarHBondContact O-N 2.96Å
300	F	22.3	Very low	24.8	Very low	195 Å²	195	153.3 Å²	153.3	86%	0.855	79%	0.787	S	S	*	*			trans	-61.3	126.2	165.4	-87.2	-101.2	0	0	0	109.9
301	N	26.2	Very low	24.9	Very low	157 Å²	157	152 Å²	152	84%	0.84	78%	0.78	S	S	*	*			trans	-148.7	126.4	139.9	-108	-19.7	0	0	0	110.3	N299	N299-N301 PolarHBondContact O-N 2.96Å
302	S	23.3	Very low	25	Very low	95 Å²	95	145.2 Å²	145.2	66%	0.664	77%	0.767	S	S	*	*			trans	-59.1	149.9	174.9	29	0	0	0	0	112
303	N	22.9	Very low	25.4	Very low	165 Å²	165	148 Å²	148	88%	0.882	77%	0.773	S	S	*	*			trans	77.3	61.8	165.5	-52.1	-25.3	0	0	0	117.3
304	A	25.5	Very low	25.8	Very low	87 Å²	87	145.2 Å²	145.2	72%	0.719	77%	0.774	S	S	*	*			trans	-135.8	124.9	147.9	0	0	0	0	0	109.2	M306	A304-M306 PolarHBondContact O-N 2.96Å
305	M	24.4	Very low	26.5	Very low	189 Å²	189	140.2 Å²	140.2	93%	0.931	76%	0.758	S	S	*	*			trans	-47.8	109	178.8	-71.1	176.1	157	0	0	111.2	S307	M305-S307 PolarHBondContact O-N 2.83Å
306	M	25.4	Very low	26.8	Very low	180 Å²	180	138.1 Å²	138.1	89%	0.887	75%	0.749	S	S	*	*			trans	-73.4	80.7	167.3	-69.9	-69.1	-97.3	0	0	108.5	A304 G308	A304-M306 PolarHBondContact O-N 2.96Å; M306-G308 PolarHBondContact O-N 3.39Å
307	S	27.7	Very low	27.2	Very low	108 Å²	108	142.2 Å²	142.2	76%	0.755	76%	0.758	S	S	*	*			trans	-64.3	77.9	141.6	59.4	0	0	0	0	106.5	M305 R309	M305-S307 PolarHBondContact O-N 2.83Å; S307-R309 PolarHBondContact O-N 3.44Å
308	G	26.2	Very low	27.3	Very low	53 Å²	53	139.8 Å²	139.8	55%	0.546	75%	0.754	S	S	.	*			trans	-59	108.1	168.9	0	0	0	0	0	106.6	M306 V310	M306-G308 PolarHBondContact O-N 3.39Å; G308-V310 VanDerWaalsContact C-N 3.25Å; G308-V310 PolarHBondContact O-N 3.07Å
309	R	25.4	Very low	27.8	Very low	231 Å²	231	137.2 Å²	137.2	87%	0.872	75%	0.748	S	S	*	*			trans	-57	101.5	161.6	-69	-175.2	-172.4	-168.5	3	104.8	S307 D311	S307-R309 PolarHBondContact O-N 3.44Å; R309-D311 PolarHBondContact O-N 2.91Å
310	V	30.1	Very low	28	Very low	115 Å²	115	133.4 Å²	133.4	70%	0.697	74%	0.739	S	S	*	*			trans	-66.2	112.8	164.5	176.7	0	0	0	0	103.7	G308 A312	G308-V310 VanDerWaalsContact C-N 3.25Å; G308-V310 PolarHBondContact O-N 3.07Å; V310-A312 PolarHBondContact O-N 2.99Å
311	D	26.4	Very low	28.5	Very low	117 Å²	117	127.9 Å²	127.9	63%	0.626	72%	0.718	S	S	*	*			trans	-55.3	105.8	172.7	-65	-40.2	0	0	0	107.5	R309 E313	R309-D311 PolarHBondContact O-N 2.91Å; D311-E313 PolarHBondContact O-N 2.93Å
312	A	30.4	Very low	28.7	Very low	60 Å²	60	123.8 Å²	123.8	50%	0.496	70%	0.699	S	S	.	*	G	3₁₀ helix	trans	-64.6	-13.9	177.8	0	0	0	0	0	111.5	V310 V314 F315	V310-A312 PolarHBondContact O-N 2.99Å; A312-V314 VanDerWaalsContact C-N 3.28Å; A312-V314 PolarHBondContact O-N 2.78Å; A312-F315 PolarHBondContact O-N 3.45Å; A312-F315 VanDerWaalsContact O-N 3.1Å
313	E	30.1	Very low	29.1	Very low	178 Å²	178	126.4 Å²	126.4	83%	0.832	70%	0.701	S	S	*	*	G	3₁₀ helix	trans	-68.6	-19.3	-176.9	-62.9	-174.4	174.3	0	0	114	D311 F315	D311-E313 PolarHBondContact O-N 2.93Å; E313-F315 VanDerWaalsContact C-N 3.31Å
314	V	35.5	Very low	29.7	Very low	118 Å²	118	126.9 Å²	126.9	72%	0.715	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-79.7	-14.5	174.3	-177.3	0	0	0	0	112.1	A312	A312-V314 VanDerWaalsContact C-N 3.28Å; A312-V314 PolarHBondContact O-N 2.78Å
315	F	37.9	Very low	30.4	Very low	119 Å²	119	128.3 Å²	128.3	52%	0.522	69%	0.686	S	S	.	*	S	Bend	trans	-115.4	2.7	-172.5	-68.7	-70.4	0	0	0	115.5	A312 E313 Q317	A312-F315 PolarHBondContact O-N 3.45Å; A312-F315 VanDerWaalsContact O-N 3.1Å; E313-F315 VanDerWaalsContact C-N 3.31Å; F315-Q317 PolarHBondContact O-N 2.8Å
316	D	29.7	Very low	30.8	Very low	127 Å²	127	123.7 Å²	123.7	68%	0.679	67%	0.665	S	S	*	*			trans	-87.3	9.8	-175.7	-84.3	-17	0	0	0	115.4	S318	D316-S318 VanDerWaalsContact C-N 3.32Å; D316-S318 PolarHBondContact O-N 3.49Å; D316-S318 VanDerWaalsContact O-N 3.11Å
317	Q	28.7	Very low	31	Very low	175 Å²	175	120.5 Å²	120.5	82%	0.818	65%	0.652	S	S	*	*			trans	-85.9	75	167.9	-70.3	-173.9	5.9	0	0	111.2	F315 L319	F315-Q317 PolarHBondContact O-N 2.8Å; Q317-L319 VanDerWaalsContact C-N 3.29Å; Q317-L319 PolarHBondContact O-N 3.19Å
318	S	28.1	Very low	31	Very low	115 Å²	115	119.4 Å²	119.4	80%	0.804	64%	0.643	S	S	*	*			trans	-70.8	88.5	158.1	46.7	0	0	0	0	108.9	D316 A320	D316-S318 VanDerWaalsContact C-N 3.32Å; D316-S318 PolarHBondContact O-N 3.49Å; D316-S318 VanDerWaalsContact O-N 3.11Å; S318-A320 PolarHBondContact O-N 2.72Å; S318-A320 VanDerWaalsContact O-N 3.1Å
319	L	32.4	Very low	31.1	Very low	137 Å²	137	120.8 Å²	120.8	72%	0.717	64%	0.644	S	S	*	*			trans	-67.9	103.4	166	-92	130.6	0	0	0	108.3	Q317	Q317-L319 VanDerWaalsContact C-N 3.29Å; Q317-L319 PolarHBondContact O-N 3.19Å
320	A	30.1	Very low	31.4	Very low	81 Å²	81	120.6 Å²	120.6	67%	0.669	65%	0.645	S	S	*	*			trans	-59.2	140.2	164.1	0	0	0	0	0	109.1	S318 T322	S318-A320 PolarHBondContact O-N 2.72Å; S318-A320 VanDerWaalsContact O-N 3.1Å; A320-T322 PolarHBondContact O-N 3.37Å
321	L	31.9	Very low	31.4	Very low	78 Å²	78	123.7 Å²	123.7	41%	0.408	65%	0.652	S	S	.	*			trans	-54.6	104.6	177.5	-69.3	163.5	0	0	0	109.4	H325	L321-H325 HydrophobicContact CD2-CB 4.3Å
322	T	31	Very low	31.5	Very low	71 Å²	71	121.9 Å²	121.9	44%	0.436	65%	0.648	S	S	.	*			trans	-77.5	153.3	168.7	65.6	0	0	0	0	110	A320 K324 H325	A320-T322 PolarHBondContact O-N 3.37Å; T322-K324 PolarHBondContact O-N 3.09Å; T322-H325 WeakPolarHBondContact O-CB 3.06Å; T322-H325 PolarHBondContact O-CD2 3.47Å; T322-H325 PolarHBondContact O-N 3.05Å; T322-H325 PolarHBondContact OG1-CD2 3.32Å
323	Q	31.4	Very low	31.5	Very low	150 Å²	150	123.8 Å²	123.8	70%	0.701	65%	0.649	S	S	*	*	H	α-helix	trans	-55.4	-18.1	-178.2	-151.8	155.4	-4.6	0	0	114	H325 L326 N327	Q323-H325 VanDerWaalsContact C-N 3.3Å; Q323-H325 PolarHBondContact O-N 3.49Å; Q323-L326 PolarHBondContact O-N 3.23Å; Q323-N327 PolarHBondContact O-N 3.15Å; Q323-N327 VanDerWaalsContact O-N 3.13Å
324	K	36.2	Very low	31.6	Very low	175 Å²	175	119 Å²	119	76%	0.761	63%	0.633	S	S	*	*	H	α-helix	trans	-66.5	-26.2	170.8	-67.2	-171.7	177	-174.4	0	113.6	T322	T322-K324 PolarHBondContact O-N 3.09Å
325	H	40.3	Very low	32.1	Very low	117 Å²	117	117.4 Å²	117.4	54%	0.542	62%	0.624	S	S	.	*	H	α-helix	trans	-82.7	-26.8	176.7	-61.7	-70.3	0	0	0	112.9	L321 T322 Q323	L321-H325 HydrophobicContact CD2-CB 4.3Å; T322-H325 WeakPolarHBondContact O-CB 3.06Å; T322-H325 PolarHBondContact O-CD2 3.47Å; T322-H325 PolarHBondContact O-N 3.05Å; T322-H325 PolarHBondContact OG1-CD2 3.32Å; Q323-H325 VanDerWaalsContact C-N 3.3Å; Q323-H325 PolarHBondContact O-N 3.49Å
326	L	32.3	Very low	32.2	Very low	92 Å²	92	115.2 Å²	115.2	48%	0.482	62%	0.622	S	S	.	*	H	α-helix	trans	-81.5	-33.5	176.5	-71.6	167	0	0	0	111.8	Q323 C328 S329	Q323-L326 PolarHBondContact O-N 3.23Å; L326-C328 VanDerWaalsContact C-N 3.27Å; L326-C328 PolarHBondContact O-N 3.36Å; L326-S329 PolarHBondContact O-N 3.01Å; L326-S329 PolarHBondContact O-OG 3.34Å
327	N	28.6	Very low	32.6	Very low	114 Å²	114	115.5 Å²	115.5	61%	0.61	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.2	5.5	-179.1	-70.5	5.5	0	0	0	114.7	Q323 S329	Q323-N327 PolarHBondContact O-N 3.15Å; Q323-N327 VanDerWaalsContact O-N 3.13Å; N327-S329 PolarHBondContact O-N 3.4Å
328	C	28	Very low	33	Very low	85 Å²	85	111.3 Å²	111.3	57%	0.574	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	8.7	167.5	-80.1	0	0	0	0	113	L326 Y330	L326-C328 VanDerWaalsContact C-N 3.27Å; L326-C328 PolarHBondContact O-N 3.36Å; C328-Y330 PolarHBondContact O-N 3.5Å
329	S	27.6	Very low	33.4	Very low	81 Å²	81	111.2 Å²	111.2	57%	0.566	59%	0.589	S	S	*	*	S	Bend	trans	-73.8	116.8	164.6	49.7	0	0	0	0	110.5	L326 N327 E331	L326-S329 PolarHBondContact O-N 3.01Å; L326-S329 PolarHBondContact O-OG 3.34Å; N327-S329 PolarHBondContact O-N 3.4Å; S329-E331 PolarHBondContact O-N 3.44Å
330	Y	32.2	Very low	33.6	Very low	227 Å²	227	111.1 Å²	111.1	89%	0.89	58%	0.584	S	S	*	*	S	Bend	trans	72.3	-16.2	162.9	-90.1	-88.9	0	0	0	121.7	C328	C328-Y330 PolarHBondContact O-N 3.5Å
331	E	30.1	Very low	34	Very low	180 Å²	180	114.3 Å²	114.3	84%	0.841	58%	0.58	S	S	*	*	S	Bend	trans	-111.9	2.8	-177.1	-72.8	-172.2	167.6	0	0	116.5	S329	S329-E331 PolarHBondContact O-N 3.44Å
332	S	29.4	Very low	34.3	Very low	79 Å²	79	113.6 Å²	113.6	55%	0.552	58%	0.581	S	S	*	*			trans	-103.4	30.8	179.7	70.4	0	0	0	0	114.2
333	I	30.8	Very low	34.8	Very low	100 Å²	100	115.1 Å²	115.1	51%	0.513	59%	0.585	S	S	.	*	S	Bend	trans	-89.7	122.7	154.7	-58.8	172.9	0	0	0	104.8	T335 I338	I333-T335 PolarHBondContact O-N 3.44Å; I333-I338 HydrophobicContact CB-CD1 4.36Å; I333-I338 HydrophobicContact CD1-CD1 4.06Å; I333-I338 HydrophobicContact CG2-CD1 3.73Å; I333-I338 HydrophobicContact CG2-CG1 4.15Å
334	P	32	Very low	35	Very low	77 Å²	77	111.1 Å²	111.1	50%	0.5	57%	0.574	S	S	.	*			trans	-55.7	106.2	172.6	-21.4	32.1	0	0	0	108.7	P336 Q337	P334-P336 HydrophobicContact CB-CG 3.97Å; P334-P336 WeakPolarHBondContact O-CD 3.19Å; P334-Q337 PolarHBondContact O-N 3.05Å
335	T	44.4	Very low	35	Very low	86 Å²	86	109.2 Å²	109.2	53%	0.528	56%	0.562	S	S	.	*	H	α-helix	trans	-46.1	-27	174.5	-11.1	0	0	0	0	114.1	I333 Q337 Q339	I333-T335 PolarHBondContact O-N 3.44Å; T335-Q337 VanDerWaalsContact C-N 3.29Å; T335-Q337 PolarHBondContact O-N 2.83Å; T335-Q339 HydrophobicContact CG2-CG 4.31Å; T335-Q339 WeakPolarHBondContact O-CB 3.34Å; T335-Q339 VanDerWaalsContact O-CG 3.26Å; T335-Q339 WeakPolarHBondContact O-CG 3.42Å; T335-Q339 PolarHBondContact O-N 3.29Å
336	P	42	Very low	34.9	Very low	73 Å²	73	109.1 Å²	109.1	47%	0.474	56%	0.562	S	S	.	*	H	α-helix	trans	-60.6	-29.8	174	20.2	-35.8	0	0	0	114.9	P334 Q340	P334-P336 HydrophobicContact CB-CG 3.97Å; P334-P336 WeakPolarHBondContact O-CD 3.19Å; P336-Q340 WeakPolarHBondContact O-CB 3.14Å; P336-Q340 WeakPolarHBondContact O-CG 3.26Å; P336-Q340 PolarHBondContact O-N 2.87Å
337	Q	37.1	Very low	35.5	Very low	133 Å²	133	108.4 Å²	108.4	62%	0.621	56%	0.561	S	S	*	*	H	α-helix	trans	-80.1	-40.6	-177.4	-76.4	174.7	-14.8	0	0	112.5	P334 T335 Y341	P334-Q337 PolarHBondContact O-N 3.05Å; T335-Q337 VanDerWaalsContact C-N 3.29Å; T335-Q337 PolarHBondContact O-N 2.83Å; Q337-Y341 VanDerWaalsContact O-CB 3.27Å; Q337-Y341 WeakPolarHBondContact O-CB 3.11Å; Q337-Y341 PolarHBondContact O-N 3.36Å
338	I	38	Very low	35.9	Very low	87 Å²	87	108.3 Å²	108.3	45%	0.446	56%	0.56	S	S	.	*	H	α-helix	trans	-70.6	-37.1	172	-64.1	177.5	0	0	0	109.7	I333 Y341 C342	I333-I338 HydrophobicContact CB-CD1 4.36Å; I333-I338 HydrophobicContact CD1-CD1 4.06Å; I333-I338 HydrophobicContact CG2-CD1 3.73Å; I333-I338 HydrophobicContact CG2-CG1 4.15Å; I338-Y341 PolarHBondContact O-N 3.21Å; I338-C342 WeakPolarHBondContact O-CB 3.37Å; I338-C342 PolarHBondContact O-N 3.3Å; I338-C342 PolarHBondContact O-SG 3.11Å
339	Q	36.3	Very low	36.4	Very low	113 Å²	113	109 Å²	109	53%	0.528	56%	0.555	S	S	.	*	H	α-helix	trans	-66.7	-40.6	173.4	-76.9	176.1	-26.5	0	0	112.2	T335 I343	T335-Q339 HydrophobicContact CG2-CG 4.31Å; T335-Q339 WeakPolarHBondContact O-CB 3.34Å; T335-Q339 VanDerWaalsContact O-CG 3.26Å; T335-Q339 WeakPolarHBondContact O-CG 3.42Å; T335-Q339 PolarHBondContact O-N 3.29Å; Q339-I343 WeakPolarHBondContact O-CB 3.29Å; Q339-I343 WeakPolarHBondContact O-CD1 3.35Å; Q339-I343 WeakPolarHBondContact O-CG1 3.36Å; Q339-I343 PolarHBondContact O-N 3.16Å
340	Q	35.8	Very low	36.7	Very low	135 Å²	135	110.6 Å²	110.6	63%	0.631	56%	0.557	S	S	*	*	H	α-helix	trans	-65.2	-40.8	173.6	-80.2	176.8	-5.3	0	0	111.4	P336 S344	P336-Q340 WeakPolarHBondContact O-CB 3.14Å; P336-Q340 WeakPolarHBondContact O-CG 3.26Å; P336-Q340 PolarHBondContact O-N 2.87Å; Q340-S344 WeakPolarHBondContact O-CB 3.14Å; Q340-S344 PolarHBondContact O-N 2.68Å; Q340-S344 PolarHBondContact O-OG 3.15Å
341	Y	38.1	Very low	36.8	Very low	148 Å²	148	105.5 Å²	105.5	58%	0.58	55%	0.545	S	S	*	.	H	α-helix	trans	-65.2	-48.5	176	-169.8	-96.2	0	0	0	111.1	Q337 I338 S344 R345	Q337-Y341 VanDerWaalsContact O-CB 3.27Å; Q337-Y341 WeakPolarHBondContact O-CB 3.11Å; Q337-Y341 PolarHBondContact O-N 3.36Å; I338-Y341 PolarHBondContact O-N 3.21Å; Y341-S344 WeakPolarHBondContact CA-OG 3.31Å; Y341-S344 PolarHBondContact O-N 3.13Å; Y341-S344 PolarHBondContact O-OG 3.22Å; Y341-R345 WeakPolarHBondContact O-CB 3.48Å; Y341-R345 PolarHBondContact O-N 2.84Å
342	C	39.3	Very low	37	Very low	62 Å²	62	103 Å²	103	42%	0.419	54%	0.538	S	S	.	.	H	α-helix	trans	-61.4	-45.8	175.8	-72.3	0	0	0	0	111.4	I338 S344 R345 Q346	I338-C342 WeakPolarHBondContact O-CB 3.37Å; I338-C342 PolarHBondContact O-N 3.3Å; I338-C342 PolarHBondContact O-SG 3.11Å; C342-S344 PolarHBondContact O-N 3.18Å; C342-R345 PolarHBondContact O-N 3.18Å; C342-Q346 VanDerWaalsContact O-CB 3.23Å; C342-Q346 WeakPolarHBondContact O-CB 3.19Å; C342-Q346 PolarHBondContact O-N 3.36Å
343	I	40.6	Very low	37	Very low	103 Å²	103	105.4 Å²	105.4	53%	0.528	54%	0.544	S	S	.	.	H	α-helix	trans	-61.8	-45.8	175.2	-69.3	163.6	0	0	0	109.9	Q339 R345 Q346 V347	Q339-I343 WeakPolarHBondContact O-CB 3.29Å; Q339-I343 WeakPolarHBondContact O-CD1 3.35Å; Q339-I343 WeakPolarHBondContact O-CG1 3.36Å; Q339-I343 PolarHBondContact O-N 3.16Å; I343-R345 VanDerWaalsContact C-N 3.28Å; I343-R345 PolarHBondContact O-N 3Å; I343-Q346 PolarHBondContact O-N 3.32Å; I343-V347 HydrophobicContact CG2-CG2 4.1Å; I343-V347 VanDerWaalsContact O-CB 3.26Å; I343-V347 WeakPolarHBondContact O-CB 3.31Å; I343-V347 WeakPolarHBondContact O-CG2 3.33Å; I343-V347 PolarHBondContact O-N 2.73Å
344	S	36	Very low	36.8	Very low	67 Å²	67	109.7 Å²	109.7	47%	0.469	56%	0.559	S	S	.	*	H	α-helix	trans	-63.9	-34.8	178.5	63.9	0	0	0	0	112.4	Q340 Y341 C342 L348	Q340-S344 WeakPolarHBondContact O-CB 3.14Å; Q340-S344 PolarHBondContact O-N 2.68Å; Q340-S344 PolarHBondContact O-OG 3.15Å; Y341-S344 WeakPolarHBondContact CA-OG 3.31Å; Y341-S344 PolarHBondContact O-N 3.13Å; Y341-S344 PolarHBondContact O-OG 3.22Å; C342-S344 PolarHBondContact O-N 3.18Å; S344-L348 VanDerWaalsContact O-CB 3.29Å; S344-L348 WeakPolarHBondContact O-CB 3.18Å; S344-L348 PolarHBondContact O-N 3.45Å
345	R	36.9	Very low	36.5	Very low	135 Å²	135	113 Å²	113	51%	0.509	57%	0.573	S	S	.	*	H	α-helix	trans	-77.1	-36.4	177	-143.5	-170.2	-166.5	-151	3.3	112.2	Y341 C342 I343 L348 E349	Y341-R345 WeakPolarHBondContact O-CB 3.48Å; Y341-R345 PolarHBondContact O-N 2.84Å; C342-R345 PolarHBondContact O-N 3.18Å; I343-R345 VanDerWaalsContact C-N 3.28Å; I343-R345 PolarHBondContact O-N 3Å; R345-L348 CarbonylContact O-C 3.52Å; R345-L348 PolarHBondContact O-N 2.94Å; R345-E349 WeakPolarHBondContact O-CB 3.26Å; R345-E349 VanDerWaalsContact O-CG 3.31Å; R345-E349 WeakPolarHBondContact O-CG 3.47Å; R345-E349 PolarHBondContact O-N 3.33Å
346	Q	38.2	Very low	35.7	Very low	115 Å²	115	114.3 Å²	114.3	54%	0.537	59%	0.585	S	S	.	*	H	α-helix	trans	-74.3	-32.6	176.7	-135.9	166.6	14.3	0	0	111.4	C342 I343 L348 N350	C342-Q346 VanDerWaalsContact O-CB 3.23Å; C342-Q346 WeakPolarHBondContact O-CB 3.19Å; C342-Q346 PolarHBondContact O-N 3.36Å; I343-Q346 PolarHBondContact O-N 3.32Å; Q346-L348 VanDerWaalsContact C-N 3.35Å; Q346-N350 WeakPolarHBondContact O-CB 3.43Å; Q346-N350 PolarHBondContact O-N 3.44Å; Q346-N350 PolarHBondContact O-ND2 2.74Å; Q346-N350 PolarHBondContact O-OD1 2.99Å
347	V	43.9	Very low	34.9	Very low	77 Å²	77	115.8 Å²	115.8	47%	0.467	60%	0.597	S	S	.	*	H	α-helix	trans	-68.3	-36.8	169.1	171.6	0	0	0	0	110.5	I343 N351	I343-V347 HydrophobicContact CG2-CG2 4.1Å; I343-V347 VanDerWaalsContact O-CB 3.26Å; I343-V347 WeakPolarHBondContact O-CB 3.31Å; I343-V347 WeakPolarHBondContact O-CG2 3.33Å; I343-V347 PolarHBondContact O-N 2.73Å; V347-N351 WeakPolarHBondContact O-CB 3.08Å; V347-N351 PolarHBondContact O-N 3.31Å; V347-N351 PolarHBondContact O-ND2 3.22Å
348	L	38.1	Very low	34.3	Very low	112 Å²	112	115.9 Å²	115.9	59%	0.586	61%	0.607	S	S	*	*	H	α-helix	trans	-70.4	-39.8	174.7	-164.1	71.1	0	0	0	112.3	S344 R345 Q346	S344-L348 VanDerWaalsContact O-CB 3.29Å; S344-L348 WeakPolarHBondContact O-CB 3.18Å; S344-L348 PolarHBondContact O-N 3.45Å; R345-L348 CarbonylContact O-C 3.52Å; R345-L348 PolarHBondContact O-N 2.94Å; Q346-L348 VanDerWaalsContact C-N 3.35Å
349	E	36.9	Very low	33.7	Very low	99 Å²	99	116.1 Å²	116.1	46%	0.463	62%	0.622	S	S	.	*	H	α-helix	trans	-72.9	-36	177.7	-76.4	173.4	-175.4	0	0	112	R345 N351 N352 N353	R345-E349 WeakPolarHBondContact O-CB 3.26Å; R345-E349 VanDerWaalsContact O-CG 3.31Å; R345-E349 WeakPolarHBondContact O-CG 3.47Å; R345-E349 PolarHBondContact O-N 3.33Å; E349-N351 VanDerWaalsContact C-N 3.34Å; E349-N351 PolarHBondContact O-N 3.38Å; E349-N352 PolarHBondContact O-N 3.19Å; E349-N353 PolarHBondContact O-N 3.31Å
350	N	34.5	Very low	33.1	Very low	115 Å²	115	118 Å²	118	62%	0.615	64%	0.636	S	S	*	*	H	α-helix	trans	-72.9	-25.3	176.1	-72.5	-9.4	0	0	0	113.2	Q346	Q346-N350 WeakPolarHBondContact O-CB 3.43Å; Q346-N350 PolarHBondContact O-N 3.44Å; Q346-N350 PolarHBondContact O-ND2 2.74Å; Q346-N350 PolarHBondContact O-OD1 2.99Å
351	N	34.9	Very low	32.6	Very low	120 Å²	120	119.3 Å²	119.3	64%	0.642	65%	0.646	S	S	*	*	H	α-helix	trans	-78	-21.5	176	-76.9	-12.2	0	0	0	113	V347 E349	V347-N351 WeakPolarHBondContact O-CB 3.08Å; V347-N351 PolarHBondContact O-N 3.31Å; V347-N351 PolarHBondContact O-ND2 3.22Å; E349-N351 VanDerWaalsContact C-N 3.34Å; E349-N351 PolarHBondContact O-N 3.38Å
352	N	33.3	Very low	31.9	Very low	127 Å²	127	119.8 Å²	119.8	68%	0.679	66%	0.659	S	S	*	*	H	α-helix	trans	-92.8	-15	-179.5	-76.7	-10.2	0	0	0	113.9	E349	E349-N352 PolarHBondContact O-N 3.19Å
353	N	29.6	Very low	31.3	Very low	129 Å²	129	124.2 Å²	124.2	69%	0.69	68%	0.677	S	S	*	*			trans	-103.2	76.5	176.1	-69.5	-17.8	0	0	0	110.6	E349 D355	E349-N353 PolarHBondContact O-N 3.31Å; N353-D355 VanDerWaalsContact C-N 3.28Å; N353-D355 PolarHBondContact O-N 2.82Å
354	K	27.4	Very low	30.4	Very low	190 Å²	190	125.4 Å²	125.4	83%	0.826	69%	0.691	S	S	*	*			trans	-65.6	96.3	152.3	-75.7	-179.9	178.1	175.9	0	106.6
355	D	24.9	Very low	29.9	Very low	148 Å²	148	126 Å²	126	79%	0.791	71%	0.708	S	S	*	*			trans	161.4	129.2	140.8	-75.4	-20	0	0	0	111.7	N353	N353-D355 VanDerWaalsContact C-N 3.28Å; N353-D355 PolarHBondContact O-N 2.82Å
356	S	27.2	Very low	29.5	Very low	113 Å²	113	128.3 Å²	128.3	79%	0.79	73%	0.727	S	S	*	*			trans	83.3	102.7	164.1	71.7	0	0	0	0	121.8
357	S	26.3	Very low	29	Very low	103 Å²	103	126.3 Å²	126.3	72%	0.72	74%	0.737	S	S	*	*			trans	46.3	104.6	135.5	59.8	0	0	0	0	122.4
358	T	24	Very low	28.2	Very low	136 Å²	136	131.1 Å²	131.1	83%	0.834	75%	0.754	S	S	*	*			trans	27.9	103.1	131.4	56.9	0	0	0	0	119.3
359	A	25.3	Very low	27.6	Very low	92 Å²	92	133.1 Å²	133.1	76%	0.76	77%	0.765	S	S	*	*			trans	-136.1	95.4	148.9	0	0	0	0	0	109.2	L361	A359-L361 PolarHBondContact O-N 3.04Å
360	N	24.1	Very low	26.9	Very low	153 Å²	153	136.7 Å²	136.7	82%	0.818	79%	0.787	S	S	*	*			trans	-66.6	112.4	171.8	-78.3	-32.4	0	0	0	109.4
361	L	24.7	Very low	26.4	Very low	162 Å²	162	136 Å²	136	85%	0.848	80%	0.797	S	S	*	*			trans	-101.4	102	166.9	-78.7	167.6	0	0	0	109.3	A359 I363	A359-L361 PolarHBondContact O-N 3.04Å; L361-I363 PolarHBondContact O-N 3.27Å
362	N	24	Very low	25.8	Very low	157 Å²	157	136.1 Å²	136.1	84%	0.84	80%	0.802	S	S	*	*			trans	-71.9	115.4	172.4	-80	-30.3	0	0	0	110
363	I	27.6	Very low	25.3	Very low	155 Å²	155	135.3 Å²	135.3	80%	0.795	80%	0.803	S	S	*	*			trans	-95.5	125.2	167.1	-60.3	176.4	0	0	0	108.5	L361	L361-I363 PolarHBondContact O-N 3.27Å
364	P	20.1	Very low	25	Very low	129 Å²	129	136.5 Å²	136.5	84%	0.838	81%	0.81	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	134	-177.9	-12.2	26.4	0	0	0	112.2
365	G	26.6	Very low	24.9	Very low	79 Å²	79	132.8 Å²	132.8	81%	0.814	80%	0.803	S	S	*	*	T	Hydrogen-bonded Turn	trans	130.4	0.3	160.4	0	0	0	0	0	118.5	G367	G365-G367 PolarHBondContact O-N 2.8Å
366	M	27.5	Very low	24.8	Very low	184 Å²	184	132.1 Å²	132.1	91%	0.906	80%	0.804	S	S	*	*			trans	-89.5	107.8	174.7	-84.3	-173.4	66.1	0	0	112.1
367	G	27.7	Very low	24.7	Very low	73 Å²	73	135.1 Å²	135.1	75%	0.753	80%	0.803	S	S	*	*			trans	-65.9	134.8	165.9	0	0	0	0	0	111.2	G365	G365-G367 PolarHBondContact O-N 2.8Å
368	Q	28.4	Very low	24.6	Very low	177 Å²	177	136.4 Å²	136.4	83%	0.827	81%	0.807	S	S	*	*	S	Bend	trans	-62.1	151.4	176.4	-62.6	168.4	-3.2	0	0	110.7
369	N	24.5	Very low	24.4	Very low	154 Å²	154	139 Å²	139	82%	0.824	81%	0.807	S	S	*	*			trans	102.8	76.5	169.2	-50.3	-28.6	0	0	0	116.8
370	L	23.7	Very low	24.2	Very low	175 Å²	175	142.6 Å²	142.6	92%	0.916	81%	0.812	S	S	*	*			trans	-139.9	113.7	139.8	-94.2	115	0	0	0	109.1	V372	L370-V372 PolarHBondContact O-N 2.82Å
371	A	22.7	Very low	24.1	Very low	100 Å²	100	140.1 Å²	140.1	83%	0.826	80%	0.803	S	S	*	*			trans	-65.1	123.1	177.6	0	0	0	0	0	110.3	P373	A371-P373 WeakPolarHBondContact O-CD 3.29Å
372	V	23.4	Very low	24	Very low	123 Å²	123	144 Å²	144	75%	0.745	81%	0.806	S	S	*	*			trans	-72.4	120.2	173	177.2	0	0	0	0	108.4	L370 N374	L370-V372 PolarHBondContact O-N 2.82Å; V372-N374 PolarHBondContact O-N 2.88Å
373	P	22.9	Very low	24	Very low	109 Å²	109	142.8 Å²	142.8	71%	0.708	80%	0.799	S	S	*	*			trans	-72	113.2	169.8	26.6	-28.1	0	0	0	109	A371 V375	A371-P373 WeakPolarHBondContact O-CD 3.29Å; P373-V375 PolarHBondContact O-N 3.32Å
374	N	22.3	Very low	23.7	Very low	154 Å²	154	143.4 Å²	143.4	82%	0.824	81%	0.805	S	S	*	*			trans	-58.3	101.1	168.4	-78	-20.1	0	0	0	109.5	V372	V372-N374 PolarHBondContact O-N 2.88Å
375	V	25.1	Very low	24	Very low	112 Å²	112	142.3 Å²	142.3	68%	0.679	80%	0.8	S	S	*	*			trans	-102.4	101.6	162.4	-178.5	0	0	0	0	106.9	P373 K377	P373-V375 PolarHBondContact O-N 3.32Å; V375-K377 VanDerWaalsContact C-N 3.31Å; V375-K377 HydrophobicContact CG1-CG 4.4Å; V375-K377 PolarHBondContact O-N 2.94Å
376	T	22.9	Very low	23.7	Very low	135 Å²	135	150.5 Å²	150.5	83%	0.828	81%	0.806	S	S	*	*			trans	-59.9	89.4	168.5	36.6	0	0	0	0	109.4	T378	T376-T378 PolarHBondContact O-N 2.81Å
377	K	25.6	Very low	23.4	Very low	176 Å²	176	149.7 Å²	149.7	77%	0.765	81%	0.805	S	S	*	*			trans	-82	105.6	163.3	-80	-175.7	177.7	179.1	0	107.7	V375 F379	V375-K377 VanDerWaalsContact C-N 3.31Å; V375-K377 HydrophobicContact CG1-CG 4.4Å; V375-K377 PolarHBondContact O-N 2.94Å; K377-F379 PolarHBondContact O-N 2.75Å; K377-F379 VanDerWaalsContact O-N 3.16Å
378	T	23	Very low	23.1	Very low	130 Å²	130	152.3 Å²	152.3	80%	0.798	81%	0.806	S	S	*	*			trans	-48.1	115.4	162.3	36.9	0	0	0	0	109.2	T376 L380	T376-T378 PolarHBondContact O-N 2.81Å; T378-L380 PolarHBondContact O-N 3.25Å
379	F	20.2	Very low	22.7	Very low	190 Å²	190	153.2 Å²	153.2	83%	0.833	81%	0.811	S	S	*	*			trans	-63.9	112.2	170.2	-81	-96.3	0	0	0	108.3	K377 V381	K377-F379 PolarHBondContact O-N 2.75Å; K377-F379 VanDerWaalsContact O-N 3.16Å; F379-V381 HydrophobicContact CD1-CG2 4.29Å
380	L	21.9	Very low	22.5	Very low	167 Å²	167	151 Å²	151	87%	0.874	81%	0.807	S	S	*	*			trans	-106.8	83.6	154.9	-70.2	178.3	0	0	0	106.8	T378	T378-L380 PolarHBondContact O-N 3.25Å
381	V	21.8	Very low	22.4	Very low	101 Å²	101	148.7 Å²	148.7	61%	0.612	80%	0.804	S	S	*	*			trans	-69	122.1	156.9	177.7	0	0	0	0	105.5	F379	F379-V381 HydrophobicContact CD1-CG2 4.29Å
382	R	22.5	Very low	22.4	Very low	243 Å²	243	150.3 Å²	150.3	92%	0.917	80%	0.804	S	S	*	*			trans	-128.1	94.7	171.2	-152.3	172.2	-176.6	171.5	0.4	106.8
383	D	23.4	Very low	22.3	Very low	132 Å²	132	149.5 Å²	149.5	71%	0.706	80%	0.804	S	S	*	*			trans	-63.6	138.6	175.4	-67.8	-46.3	0	0	0	110.5	S385	D383-S385 PolarHBondContact O-N 2.81Å; D383-S385 VanDerWaalsContact O-N 3.12Å
384	D	22.1	Very low	22.2	Very low	169 Å²	169	149 Å²	149	90%	0.904	80%	0.803	S	S	*	*			trans	-57.7	108	171.2	-68.2	-47.6	0	0	0	110.3
385	S	25.8	Very low	22.3	Very low	105 Å²	105	149.4 Å²	149.4	73%	0.734	80%	0.8	S	S	*	*			trans	-152.9	129.4	155.9	46	0	0	0	0	109.9	D383 L387	D383-S385 PolarHBondContact O-N 2.81Å; D383-S385 VanDerWaalsContact O-N 3.12Å; S385-L387 PolarHBondContact O-N 3.37Å
386	W	19.8	Very low	22.2	Very low	252 Å²	252	150.8 Å²	150.8	96%	0.955	80%	0.802	S	S	*	*			trans	-57.4	125	-176.8	-68	72.9	0	0	0	111.9
387	L	21.9	Very low	22.5	Very low	166 Å²	166	152 Å²	152	87%	0.869	80%	0.802	S	S	*	*			trans	-133.5	123.1	155.2	-78.3	176.2	0	0	0	110.2	S385	S385-L387 PolarHBondContact O-N 3.37Å
388	T	21.7	Very low	22.3	Very low	129 Å²	129	151.6 Å²	151.6	79%	0.791	81%	0.809	S	S	*	*			trans	-51.5	150.2	174.3	39.4	0	0	0	0	113.6	S390	T388-S390 PolarHBondContact O-N 2.77Å
389	E	19.9	Very low	22.5	Very low	196 Å²	196	150.4 Å²	150.4	92%	0.916	81%	0.806	S	S	*	*			trans	-40.9	121	170.2	-64.3	172.2	154.1	0	0	112.8
390	S	20.3	Very low	22.5	Very low	108 Å²	108	145.1 Å²	145.1	76%	0.755	81%	0.805	S	S	*	*			trans	-125.5	104.9	152.8	61.4	0	0	0	0	108.2	T388 T392	T388-S390 PolarHBondContact O-N 2.77Å; S390-T392 PolarHBondContact O-N 3.49Å
391	C	20.3	Very low	22.6	Very low	125 Å²	125	144.8 Å²	144.8	85%	0.845	80%	0.802	S	S	*	*			trans	-64.3	119.1	158.3	-62.6	0	0	0	0	108.9
392	T	23.7	Very low	22.6	Very low	134 Å²	134	144.6 Å²	144.6	82%	0.822	81%	0.805	S	S	*	*			trans	-146	137.2	144.8	41.3	0	0	0	0	109.7	S390	S390-T392 PolarHBondContact O-N 3.49Å
393	S	20.2	Very low	22.5	Very low	106 Å²	106	138.2 Å²	138.2	74%	0.741	80%	0.798	S	S	*	*			trans	-64	160.3	-177.7	35.3	0	0	0	0	115.7
394	S	22.8	Very low	22.5	Very low	98 Å²	98	135.9 Å²	135.9	69%	0.685	80%	0.797	S	S	*	*			trans	109.3	131.5	140	-68.4	0	0	0	0	119.1
395	E	23.6	Very low	22.4	Very low	163 Å²	163	136.8 Å²	136.8	76%	0.762	80%	0.796	S	S	*	*			trans	107.6	98.8	139.6	-75.3	161.3	-149.8	0	0	120.8
396	I	22.6	Very low	22.4	Very low	141 Å²	141	137.6 Å²	137.6	72%	0.723	80%	0.801	S	S	*	*				57.4	111.9	122	-56.1	166.5	0	0	0	117.1
397	L	28.6	Very low	22.3	Very low	161 Å²	161	131.2 Å²	131.2	84%	0.843	80%	0.795	S	S	*	*				-156.2	85	125.6	-83.8	-171.9	0	0	0	108.9
398	D	21.7	Very low	22.6	Very low	168 Å²	168	129 Å²	129	90%	0.898	79%	0.794	S	S	*	*			trans	-81.8	114.9	150.6	-90.9	-31.3	0	0	0	107.3
399	S	27.9	Very low	22.5	Very low	105 Å²	105	130.4 Å²	130.4	73%	0.734	80%	0.797	S	S	*	*			trans	-120.7	87.6	166.5	48.6	0	0	0	0	109.4
400	G	19.2	Very low	22.7	Very low	79 Å²	79	126.9 Å²	126.9	81%	0.814	79%	0.793	S	S	*	*			trans	-80.3	127	156.7	0	0	0	0	0	110.5
401	I	25.2	Very low	22.5	Very low	159 Å²	159	127.7 Å²	127.7	82%	0.815	79%	0.794	S	S	*	*			trans	-134.6	103.5	161.1	-59	174.9	0	0	0	103.8
402	S	20.6	Very low	22.6	Very low	97 Å²	97	128.6 Å²	128.6	68%	0.678	80%	0.796	S	S	*	*				73	101.7	73	169.6	0	0	0	0	115.2
403	S	21.6	Very low	22.4	Very low	109 Å²	109	127 Å²	127	76%	0.762	79%	0.79	S	S	*	*				86.7	142	123.7	-50.8	0	0	0	0	123.4
404	A	22.8	Very low	22.4	Very low	84 Å²	84	128 Å²	128	69%	0.694	80%	0.796	S	S	*	*			trans	80.8	106.6	144.1	0	0	0	0	0	118.2
405	E	20.7	Very low	22.2	Very low	187 Å²	187	126.8 Å²	126.8	87%	0.874	80%	0.799	S	S	*	*				76.5	113.7	87	-76.8	-175.9	179.2	0	0	114.4
406	S	24.8	Very low	22	Very low	122 Å²	122	126.6 Å²	126.6	85%	0.853	80%	0.803	S	S	*	*				179.6	116	125.5	33.1	0	0	0	0	110.9
407	S	19	Very low	21.9	Very low	118 Å²	118	129.7 Å²	129.7	83%	0.825	81%	0.812	S	S	*	*			trans	-80.4	134.2	160.2	51.3	0	0	0	0	110.2
408	S	26.5	Very low	21.4	Very low	119 Å²	119	127.3 Å²	127.3	83%	0.832	81%	0.809	S	S	*	*			trans	-158.3	131.4	150.7	51.3	0	0	0	0	112
409	N	20.7	Very low	21.4	Very low	160 Å²	160	126.8 Å²	126.8	86%	0.856	81%	0.806	S	S	*	*			trans	-72.4	151.5	173.3	-62.5	-47.3	0	0	0	110.9
410	S	23.2	Very low	21	Very low	121 Å²	121	130.2 Å²	130.2	85%	0.846	81%	0.81	S	S	*	*				-179.8	136.7	126.3	33.9	0	0	0	0	113
411	T	17.9	Very low	21	Very low	125 Å²	125	134.1 Å²	134.1	77%	0.767	81%	0.811	S	S	*	*			trans	-62.4	142.9	165.9	46.5	0	0	0	0	113.1
412	T	22.1	Very low	21	Very low	145 Å²	145	134 Å²	134	89%	0.89	81%	0.812	S	S	*	*				174.4	164.5	119.4	39.7	0	0	0	0	111.7
413	S	19	Very low	21.3	Very low	100 Å²	100	134.1 Å²	134.1	70%	0.699	81%	0.813	S	S	*	*			trans	-78.8	169.8	-161.5	55.4	0	0	0	0	117.9
414	C	20.2	Very low	21.4	Very low	127 Å²	127	136 Å²	136	86%	0.858	81%	0.814	S	S	*	*			trans	94.7	123	146.7	-65.2	0	0	0	0	119.1
415	G	18.9	Very low	21.7	Very low	73 Å²	73	136.5 Å²	136.5	75%	0.753	81%	0.811	S	S	*	*				113.4	107.3	118.4	0	0	0	0	0	117.5
416	N	18	Very low	22.2	Very low	158 Å²	158	133.6 Å²	133.6	85%	0.845	80%	0.801	S	S	*	*			trans	-31.3	132.7	165.1	-59.7	-26.7	0	0	0	116.7
417	F	20.6	Very low	22.5	Very low	207 Å²	207	136.3 Å²	136.3	91%	0.908	80%	0.797	S	S	*	*			trans	-137.8	120.8	135.7	-90.7	-81.7	0	0	0	109
418	S	18.6	Very low	23	Very low	111 Å²	111	133.9 Å²	133.9	78%	0.776	78%	0.78	S	S	*	*			trans	-70.2	124.6	156.6	-63.9	0	0	0	0	107.3
419	D	21.6	Very low	23.3	Very low	157 Å²	157	131.9 Å²	131.9	84%	0.84	76%	0.763	S	S	*	*			trans	-160.6	151.1	147.2	-98.5	-28.2	0	0	0	111.7
420	Q	19.2	Very low	24	Very low	176 Å²	176	129.3 Å²	129.3	82%	0.822	75%	0.748	S	S	*	*			trans	-67	163.6	-173.2	-60.6	176.2	-1	0	0	112.6
421	L	21	Very low	24.3	Very low	161 Å²	161	128.7 Å²	128.7	84%	0.843	74%	0.735	S	S	*	*			trans	83.3	93.3	172.7	-51.4	169.5	0	0	0	115.8
422	N	23.4	Very low	24.9	Very low	157 Å²	157	128.6 Å²	128.6	84%	0.84	73%	0.729	S	S	*	*				-178.8	140	120.7	-104.7	-36	0	0	0	114.8
423	S	27.2	Very low	25.2	Very low	99 Å²	99	127.1 Å²	127.1	69%	0.692	71%	0.712	S	S	*	*			trans	39.3	119.5	146.7	57.7	0	0	0	0	121.3	P425	S423-P425 WeakPolarHBondContact O-CD 3.16Å
424	N	24.5	Very low	25.7	Very low	148 Å²	148	128.6 Å²	128.6	79%	0.791	71%	0.712	S	S	*	*			trans	-43.5	113.3	169	-67.3	-41.5	0	0	0	115	L426	N424-L426 VanDerWaalsContact C-N 3.3Å; N424-L426 PolarHBondContact O-N 3.27Å
425	P	29.3	Very low	26.1	Very low	95 Å²	95	126.9 Å²	126.9	62%	0.617	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.3	46.2	175.3	37.9	-32.7	0	0	0	111.6	S423 T429	S423-P425 WeakPolarHBondContact O-CD 3.16Å; P425-T429 PolarHBondContact O-OG1 2.75Å
426	L	29.8	Very low	26.4	Very low	127 Å²	127	127.6 Å²	127.6	67%	0.665	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	-11.6	173.9	-80.6	169.7	0	0	0	113	N424	N424-L426 VanDerWaalsContact C-N 3.3Å; N424-L426 PolarHBondContact O-N 3.27Å
427	K	31.4	Very low	26.7	Very low	178 Å²	178	126.7 Å²	126.7	77%	0.774	69%	0.685	S	S	*	*	H	α-helix	trans	-83.7	-30.3	-180	-152.6	167.8	-176.9	179.6	0	113.4
428	S	29.7	Very low	26.9	Very low	67 Å²	67	128.1 Å²	128.1	47%	0.469	69%	0.685	S	S	.	*	H	α-helix	trans	-81.8	-21.1	176	57	0	0	0	0	113.9	I430 L432	S428-I430 VanDerWaalsContact C-N 3.34Å; S428-L432 PolarHBondContact O-N 2.79Å
429	T	32.8	Very low	27.1	Very low	77 Å²	77	128.7 Å²	128.7	47%	0.472	68%	0.683	S	S	.	*	H	α-helix	trans	-72.4	-30.1	177.3	-56.2	0	0	0	0	111.6	P425 Q433	P425-T429 PolarHBondContact O-OG1 2.75Å; T429-Q433 WeakPolarHBondContact O-CB 3.29Å; T429-Q433 WeakPolarHBondContact O-CG 3.15Å; T429-Q433 PolarHBondContact O-N 2.77Å
430	I	35.1	Very low	27.2	Very low	106 Å²	106	128.9 Å²	128.9	54%	0.544	68%	0.684	S	S	.	*	H	α-helix	trans	-73.8	-40.1	179.6	-63.4	171.7	0	0	0	110.7	S428 Q433 L434	S428-I430 VanDerWaalsContact C-N 3.34Å; I430-Q433 PolarHBondContact O-N 3.29Å; I430-L434 HydrophobicContact CG2-CD1 4.02Å; I430-L434 WeakPolarHBondContact O-CG 3.23Å; I430-L434 PolarHBondContact O-N 3.04Å
431	D	29.8	Very low	27.3	Very low	108 Å²	108	124.9 Å²	124.9	58%	0.578	68%	0.68	S	S	*	*	H	α-helix	trans	-74.4	-28.4	-177.9	-66.8	-22.3	0	0	0	113.1	S435	D431-S435 PolarHBondContact O-N 3.38Å; D431-S435 PolarHBondContact O-OG 3.35Å
432	L	31	Very low	27.3	Very low	123 Å²	123	128 Å²	128	64%	0.644	68%	0.681	S	S	*	*	H	α-helix	trans	-79.7	-25	173.1	-90.2	155.4	0	0	0	113.8	S428 S435 S436	S428-L432 PolarHBondContact O-N 2.79Å; L432-S435 PolarHBondContact O-OG 3.34Å; L432-S436 PolarHBondContact O-OG 3.18Å
433	Q	27.9	Very low	27.4	Very low	114 Å²	114	126 Å²	126	53%	0.533	68%	0.677	S	S	.	*	H	α-helix	trans	-75.7	-29.9	173.1	-73.2	-77.3	-31.8	0	0	111.9	T429 I430	T429-Q433 WeakPolarHBondContact O-CB 3.29Å; T429-Q433 WeakPolarHBondContact O-CG 3.15Å; T429-Q433 PolarHBondContact O-N 2.77Å; I430-Q433 PolarHBondContact O-N 3.29Å
434	L	30.5	Very low	27.4	Very low	131 Å²	131	132.7 Å²	132.7	69%	0.686	69%	0.687	S	S	*	*	H	α-helix	trans	-79.9	-24.3	180	-73.6	166.8	0	0	0	113.9	I430	I430-L434 HydrophobicContact CG2-CD1 4.02Å; I430-L434 WeakPolarHBondContact O-CG 3.23Å; I430-L434 PolarHBondContact O-N 3.04Å
435	S	28.1	Very low	27.3	Very low	92 Å²	92	130.8 Å²	130.8	64%	0.643	69%	0.685	S	S	*	*	H	α-helix	trans	-86.7	-14	178.3	53.8	0	0	0	0	114.6	D431 L432	D431-S435 PolarHBondContact O-N 3.38Å; D431-S435 PolarHBondContact O-OG 3.35Å; L432-S435 PolarHBondContact O-OG 3.34Å
436	S	24.7	Very low	27.3	Very low	87 Å²	87	133.6 Å²	133.6	61%	0.608	70%	0.695	S	S	*	*	H	α-helix	trans	-106.4	-1.7	-176.6	55.6	0	0	0	0	115.3	L432 R438	L432-S436 PolarHBondContact O-OG 3.18Å; S436-R438 PolarHBondContact O-N 2.84Å
437	Q	25.3	Very low	27	Very low	139 Å²	139	132.4 Å²	132.4	65%	0.65	70%	0.697	S	S	*	*			trans	-93.7	65.8	170.6	-73.2	-175.7	11.3	0	0	112.3	V439	Q437-V439 PolarHBondContact O-N 3.31Å
438	R	23.3	Very low	26.7	Very low	238 Å²	238	131.1 Å²	131.1	90%	0.898	70%	0.699	S	S	*	*			trans	-68	93.7	146.9	-98.2	-174.9	-161.7	170.6	7.2	106.8	S436 L440	S436-R438 PolarHBondContact O-N 2.84Å; R438-L440 VanDerWaalsContact C-N 3.28Å; R438-L440 PolarHBondContact O-N 3.04Å
439	V	23.3	Very low	26.5	Very low	122 Å²	122	133.5 Å²	133.5	74%	0.739	72%	0.715	S	S	*	*			trans	-64.1	97	166.2	179.9	0	0	0	0	106.9	Q437 A441	Q437-V439 PolarHBondContact O-N 3.31Å; V439-A441 PolarHBondContact O-N 3.41Å
440	L	23	Very low	26	Very low	162 Å²	162	134.8 Å²	134.8	85%	0.848	73%	0.733	S	S	*	*			trans	-57.5	108.3	159.6	-82.1	161.7	0	0	0	106.2	R438 R442	R438-L440 VanDerWaalsContact C-N 3.28Å; R438-L440 PolarHBondContact O-N 3.04Å; L440-R442 VanDerWaalsContact C-N 3.28Å; L440-R442 PolarHBondContact O-N 3.45Å
441	A	21.9	Very low	25.7	Very low	91 Å²	91	135.5 Å²	135.5	75%	0.752	75%	0.747	S	S	*	*			trans	-54.8	97.1	168.5	0	0	0	0	0	107.9	V439 P443	V439-A441 PolarHBondContact O-N 3.41Å; A441-P443 VanDerWaalsContact O-CD 3.28Å; A441-P443 WeakPolarHBondContact O-CD 3.3Å
442	R	22.1	Very low	25.3	Very low	228 Å²	228	138.7 Å²	138.7	86%	0.86	76%	0.764	S	S	*	*			trans	-67.9	117.8	174	-170.7	175.8	-174.3	175.3	1.5	106.3	L440 R444	L440-R442 VanDerWaalsContact C-N 3.28Å; L440-R442 PolarHBondContact O-N 3.45Å; R442-R444 PolarHBondContact O-N 2.72Å; R442-R444 VanDerWaalsContact O-N 3.08Å
443	P	24.3	Very low	25.1	Very low	115 Å²	115	137 Å²	137	75%	0.747	77%	0.767	S	S	*	*			trans	-58.8	120.5	175.3	-18.4	30.5	0	0	0	107.7	A441 S445	A441-P443 VanDerWaalsContact O-CD 3.28Å; A441-P443 WeakPolarHBondContact O-CD 3.3Å; P443-S445 PolarHBondContact O-N 3.48Å
444	R	27.3	Very low	24.9	Very low	239 Å²	239	137.3 Å²	137.3	90%	0.902	78%	0.781	S	S	*	*			trans	-58.1	114.8	171.5	-95	178.2	158.4	152.9	-5.3	107.2	R442 N446	R442-R444 PolarHBondContact O-N 2.72Å; R442-R444 VanDerWaalsContact O-N 3.08Å; R444-N446 PolarHBondContact O-N 3.4Å; R444-N446 VanDerWaalsContact O-N 3.07Å
445	S	23.2	Very low	24.6	Very low	107 Å²	107	138.7 Å²	138.7	75%	0.748	79%	0.787	S	S	*	*			trans	-60	105.8	173.2	49.2	0	0	0	0	109.1	P443 S447	P443-S445 PolarHBondContact O-N 3.48Å; S445-S447 VanDerWaalsContact C-N 3.26Å; S445-S447 PolarHBondContact O-N 3.13Å
446	N	28.3	Very low	24.4	Very low	155 Å²	155	139.8 Å²	139.8	83%	0.829	79%	0.789	S	S	*	*			trans	-70.3	93	156	-74.9	-9.3	0	0	0	106.5	R444 D448	R444-N446 PolarHBondContact O-N 3.4Å; R444-N446 VanDerWaalsContact O-N 3.07Å; N446-D448 PolarHBondContact O-N 2.76Å
447	S	23.8	Very low	24.2	Very low	101 Å²	101	146.8 Å²	146.8	71%	0.706	80%	0.803	S	S	*	*			trans	-68.2	90	161	52.6	0	0	0	0	107.2	S445	S445-S447 VanDerWaalsContact C-N 3.26Å; S445-S447 PolarHBondContact O-N 3.13Å
448	D	24.8	Very low	24	Very low	152 Å²	152	147.1 Å²	147.1	81%	0.813	81%	0.808	S	S	*	*	S	Bend	trans	178.1	82.1	148.3	-87.4	-17	0	0	0	108.8	N446	N446-D448 PolarHBondContact O-N 2.76Å
449	S	26.9	Very low	23.9	Very low	117 Å²	117	145.6 Å²	145.6	82%	0.818	81%	0.808	S	S	*	*			trans	157.8	104	146.9	49	0	0	0	0	109.4	C451	S449-C451 PolarHBondContact O-N 3.16Å
450	A	22.4	Very low	24	Very low	103 Å²	103	145 Å²	145	85%	0.851	80%	0.804	S	S	*	*			trans	-74.9	103.9	170.9	0	0	0	0	0	109.1
451	C	27.4	Very low	23.8	Very low	122 Å²	122	146.2 Å²	146.2	82%	0.824	81%	0.806	S	S	*	*			trans	-146	91.8	158.4	-88	0	0	0	0	108.4	S449 A453	S449-C451 PolarHBondContact O-N 3.16Å; C451-A453 PolarHBondContact O-N 2.88Å
452	N	22.2	Very low	23.8	Very low	175 Å²	175	152 Å²	152	94%	0.936	81%	0.81	S	S	*	*			trans	-70.7	99.9	167.7	-76.6	-28.3	0	0	0	108.6
453	A	26.1	Very low	23.9	Very low	86 Å²	86	146.2 Å²	146.2	71%	0.711	80%	0.802	S	S	*	*			trans	-100.8	117.7	159.6	0	0	0	0	0	108.3	C451 I455	C451-A453 PolarHBondContact O-N 2.88Å; A453-I455 PolarHBondContact O-N 3.25Å
454	C	24.1	Very low	23.7	Very low	122 Å²	122	147.5 Å²	147.5	82%	0.824	80%	0.802	S	S	*	*			trans	-52.5	115.5	178.5	-66	0	0	0	0	111.4	V456	C454-V456 PolarHBondContact O-N 3.25Å; C454-V456 VanDerWaalsContact O-N 3.09Å
455	I	24.1	Very low	23.5	Very low	159 Å²	159	148 Å²	148	82%	0.815	80%	0.804	S	S	*	*			trans	-75.4	96.4	168.4	-61.9	174.1	0	0	0	107.6	A453 R457	A453-I455 PolarHBondContact O-N 3.25Å; I455-R457 PolarHBondContact O-N 2.84Å
456	V	23.6	Very low	23.5	Very low	115 Å²	115	149.4 Å²	149.4	70%	0.697	80%	0.803	S	S	*	*			trans	-72	109.4	162.9	176.5	0	0	0	0	107	C454 L458	C454-V456 PolarHBondContact O-N 3.25Å; C454-V456 VanDerWaalsContact O-N 3.09Å; V456-L458 PolarHBondContact O-N 2.83Å
457	R	21.8	Very low	23.2	Very low	235 Å²	235	145.5 Å²	145.5	89%	0.887	80%	0.8	S	S	*	*			trans	-65.5	98.4	170.5	-87.1	179.5	172	149.8	-3.4	108.9	I455 K459	I455-R457 PolarHBondContact O-N 2.84Å; R457-K459 PolarHBondContact O-N 3.32Å
458	L	21.1	Very low	23.2	Very low	145 Å²	145	149.1 Å²	149.1	76%	0.759	81%	0.806	S	S	*	*			trans	-74.3	111.7	161.6	-71.2	168.2	0	0	0	107.9	V456 T460	V456-L458 PolarHBondContact O-N 2.83Å; L458-T460 PolarHBondContact O-N 3.1Å; L458-T460 VanDerWaalsContact O-N 3.09Å
459	K	20.3	Very low	22.9	Very low	207 Å²	207	148.6 Å²	148.6	90%	0.9	81%	0.808	S	S	*	*			trans	-68.4	94.9	163.3	-89.5	-178.7	171.4	-178.2	0	107.3	R457 Q461	R457-K459 PolarHBondContact O-N 3.32Å; K459-Q461 PolarHBondContact O-N 3.39Å
460	T	24.6	Very low	22.8	Very low	108 Å²	108	150.1 Å²	150.1	66%	0.663	81%	0.807	S	S	*	*			trans	-85	102.3	165.3	46.7	0	0	0	0	108	L458 Y462	L458-T460 PolarHBondContact O-N 3.1Å; L458-T460 VanDerWaalsContact O-N 3.09Å; T460-Y462 PolarHBondContact O-N 3.2Å
461	Q	20.4	Very low	22.8	Very low	188 Å²	188	150.6 Å²	150.6	88%	0.879	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-63.3	121.3	163.4	-86.1	171.1	-29.5	0	0	108.1	K459	K459-Q461 PolarHBondContact O-N 3.39Å
462	Y	21.2	Very low	22.4	Very low	213 Å²	213	150.5 Å²	150.5	84%	0.835	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-70.6	130.1	167	-78.8	-91.6	0	0	0	108.4	T460 N464	T460-Y462 PolarHBondContact O-N 3.2Å; Y462-N464 PolarHBondContact O-N 3.46Å
463	P	23.6	Very low	22.5	Very low	106 Å²	106	149.6 Å²	149.6	69%	0.688	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-66.2	122.2	171	-14.3	27.9	0	0	0	109.6	W465	P463-W465 PolarHBondContact O-N 3.16Å
464	N	20.6	Very low	22.2	Very low	142 Å²	142	157.2 Å²	157.2	76%	0.759	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-61.3	125.7	167.8	-110.5	0.9	0	0	0	108.8	Y462 D466	Y462-N464 PolarHBondContact O-N 3.46Å; N464-D466 PolarHBondContact O-N 3.25Å
465	W	22.8	Very low	22.2	Very low	250 Å²	250	159.4 Å²	159.4	95%	0.947	81%	0.81	S	S	*	*			trans	-83.3	84.5	168.1	-77.5	69	0	0	0	108	P463	P463-W465 PolarHBondContact O-N 3.16Å
466	D	22.9	Very low	22	Very low	136 Å²	136	157 Å²	157	73%	0.727	80%	0.803	S	S	*	*			trans	-74.1	127.8	164.4	-71.7	-36.8	0	0	0	108.7	N464 Q468	N464-D466 PolarHBondContact O-N 3.25Å; D466-Q468 PolarHBondContact O-N 3.32Å
467	G	22.6	Very low	21.9	Very low	74 Å²	74	158.4 Å²	158.4	76%	0.763	81%	0.806	S	S	*	*			trans	-59.2	117.9	-171.8	0	0	0	0	0	113.3
468	Q	23	Very low	21.9	Very low	177 Å²	177	152.8 Å²	152.8	83%	0.827	80%	0.803	S	S	*	*			trans	-91.9	94	150.1	-74.4	-175.9	8.2	0	0	107.8	D466 L470	D466-Q468 PolarHBondContact O-N 3.32Å; Q468-L470 PolarHBondContact O-N 3.4Å
469	T	20.5	Very low	22	Very low	140 Å²	140	150.7 Å²	150.7	86%	0.859	81%	0.807	S	S	*	*			trans	-60.4	107.5	158.9	37	0	0	0	0	108.5
470	L	23.4	Very low	22	Very low	150 Å²	150	150.3 Å²	150.3	79%	0.785	81%	0.805	S	S	*	*			trans	-101.1	136.3	163.4	-88.3	148.9	0	0	0	108.7	Q468	Q468-L470 PolarHBondContact O-N 3.4Å
471	P	23	Very low	21.9	Very low	112 Å²	112	150.3 Å²	150.3	73%	0.727	81%	0.81	S	S	*	*			trans	-87.8	144	-155.9	7.9	9.7	0	0	0	112.8	N473	P471-N473 PolarHBondContact O-N 2.65Å
472	S	19	Very low	22	Very low	120 Å²	120	149.8 Å²	149.8	84%	0.839	81%	0.807	S	S	*	*			trans	-59.3	108.9	162.4	-72.3	0	0	0	0	110.6
473	N	24.1	Very low	22.3	Very low	157 Å²	157	148.1 Å²	148.1	84%	0.84	81%	0.811	S	S	*	*			trans	-128.6	117.6	151.9	-93.9	-19.4	0	0	0	109.2	P471 L475	P471-N473 PolarHBondContact O-N 2.65Å; N473-L475 PolarHBondContact O-N 3.16Å
474	R	19.3	Very low	22.2	Very low	245 Å²	245	146.8 Å²	146.8	93%	0.925	81%	0.809	S	S	*	*			trans	-55.6	130.9	158	-64.2	177.1	-170.1	-162.9	1.7	107.2
475	L	24.1	Very low	22.3	Very low	169 Å²	169	145.1 Å²	145.1	89%	0.885	81%	0.809	S	S	*	*			trans	-168.7	142.5	132.6	-98.8	164.6	0	0	0	110	N473	N473-L475 PolarHBondContact O-N 3.16Å
476	T	21	Very low	22.5	Very low	109 Å²	109	139.6 Å²	139.6	67%	0.669	80%	0.802	S	S	*	*			trans	-72.3	150.8	-177.5	42.8	0	0	0	0	113.3
477	N	20.7	Very low	22.5	Very low	143 Å²	143	141.6 Å²	141.6	77%	0.765	81%	0.807	S	S	*	*			trans	69.9	118	150.9	-62.3	-13.6	0	0	0	120.1
478	S	21.8	Very low	22.7	Very low	117 Å²	117	145.1 Å²	145.1	82%	0.818	81%	0.808	S	S	*	*			trans	53.8	102	138.1	63.8	0	0	0	0	119
479	A	23.7	Very low	22.9	Very low	102 Å²	102	143.2 Å²	143.2	84%	0.843	81%	0.808	S	S	*	*				-166.9	135.7	128.3	0	0	0	0	0	110.1
480	F	20.6	Very low	23.1	Very low	198 Å²	198	145.1 Å²	145.1	87%	0.868	81%	0.812	S	S	*	*			trans	-67	168.1	172.9	-91.8	-108.5	0	0	0	112.6
481	S	21.9	Very low	23.1	Very low	108 Å²	108	141.4 Å²	141.4	76%	0.755	81%	0.809	S	S	*	*			trans	64.6	122.9	157.9	37.8	0	0	0	0	115.3
482	E	23	Very low	23.1	Very low	177 Å²	177	141.9 Å²	141.9	83%	0.827	81%	0.814	S	S	*	*			cis	-162.1	148.8	26.4	-87.8	155.5	167.4	0	0	106.3
483	I	25.9	Very low	23.5	Very low	179 Å²	179	144.3 Å²	144.3	92%	0.918	82%	0.817	S	S	*	*			trans	-170.8	138.5	137.8	-89	147.5	0	0	0	107.4
484	A	22.9	Very low	23.4	Very low	78 Å²	78	147 Å²	147	65%	0.645	82%	0.821	S	S	*	*			trans	-67.4	153.2	-156.7	0	0	0	0	0	117.4	V486	A484-V486 PolarHBondContact O-N 2.68Å
485	S	22.3	Very low	23.6	Very low	107 Å²	107	144.4 Å²	144.4	75%	0.748	82%	0.82	S	S	*	*			trans	-10.7	108.4	152.7	52.6	0	0	0	0	117.5
486	V	26.3	Very low	23.5	Very low	134 Å²	134	141.7 Å²	141.7	81%	0.812	82%	0.815	S	S	*	*			trans	-106.7	70.8	151.7	-175.6	0	0	0	0	107.8	A484 N488	A484-V486 PolarHBondContact O-N 2.68Å; V486-N488 VanDerWaalsContact C-N 3.31Å; V486-N488 PolarHBondContact O-N 2.86Å
487	Q	24	Very low	23.6	Very low	177 Å²	177	141.6 Å²	141.6	83%	0.827	83%	0.825	S	S	*	*			trans	-78	86	156.2	-84	180	-24.2	0	0	106.9
488	N	25.6	Very low	23.6	Very low	148 Å²	148	143.2 Å²	143.2	79%	0.791	83%	0.828	S	S	*	*			trans	-165.7	59.5	168.2	-104.1	-11.3	0	0	0	113	V486	V486-N488 VanDerWaalsContact C-N 3.31Å; V486-N488 PolarHBondContact O-N 2.86Å
489	V	28.2	Very low	23.5	Very low	137 Å²	137	145.4 Å²	145.4	83%	0.83	83%	0.825	S	S	*	*	S	Bend	trans	-144.1	-6.6	157.5	-168.8	0	0	0	0	113.9	G491	V489-G491 VanDerWaalsContact C-N 3.35Å; V489-G491 PolarHBondContact O-N 3.19Å
490	I	25.1	Very low	23.5	Very low	181 Å²	181	146.4 Å²	146.4	93%	0.928	82%	0.821	S	S	*	*	S	Bend	trans	-91.3	15.5	-175.4	-59.5	177.2	0	0	0	113.5
491	G	21.9	Very low	23.5	Very low	71 Å²	71	145.4 Å²	145.4	73%	0.732	82%	0.816	S	S	*	*	S	Bend	trans	-92.9	-19	-171.1	0	0	0	0	0	118.8	V489	V489-G491 VanDerWaalsContact C-N 3.35Å; V489-G491 PolarHBondContact O-N 3.19Å
492	C	23.7	Very low	23.6	Very low	122 Å²	122	146.3 Å²	146.3	82%	0.824	82%	0.817	S	S	*	*	S	Bend	trans	-125.5	85.6	-167.7	-76.2	0	0	0	0	112.6
493	L	26.5	Very low	23.5	Very low	172 Å²	172	149.1 Å²	149.1	90%	0.901	82%	0.82	S	S	*	*	S	Bend	trans	-166.6	8.3	153.3	-105.4	150.4	0	0	0	115.3
494	F	22.3	Very low	23.2	Very low	212 Å²	212	148.9 Å²	148.9	93%	0.93	82%	0.82	S	S	*	*			trans	-103.3	79.6	165.4	-72.3	-79	0	0	0	110
495	Q	23.3	Very low	23.3	Very low	192 Å²	192	154.7 Å²	154.7	90%	0.897	83%	0.831	S	S	*	*			trans	-117.4	109	156.1	-92.5	-179	-9.5	0	0	108.3
496	S	22	Very low	23.3	Very low	111 Å²	111	153.7 Å²	153.7	78%	0.776	83%	0.829	S	S	*	*			trans	-50.1	131.8	166.6	43.3	0	0	0	0	110.5	E498	S496-E498 PolarHBondContact O-N 3.44Å; S496-E498 VanDerWaalsContact O-N 3.11Å
497	A	23.1	Very low	23.3	Very low	107 Å²	107	153.5 Å²	153.5	88%	0.884	83%	0.831	S	S	*	*			trans	-56.4	110.1	176.2	0	0	0	0	0	111
498	E	21.2	Very low	23.4	Very low	178 Å²	178	154.4 Å²	154.4	83%	0.832	84%	0.835	S	S	*	*			trans	-75.1	126	164.3	-84.9	-174.2	154.7	0	0	110	S496 V500	S496-E498 PolarHBondContact O-N 3.44Å; S496-E498 VanDerWaalsContact O-N 3.11Å; E498-V500 PolarHBondContact O-N 2.91Å
499	E	20.2	Very low	23.2	Very low	163 Å²	163	150.5 Å²	150.5	76%	0.762	83%	0.829	S	S	*	*			trans	-72.9	89.1	-176.2	-159.8	-177.7	-135.8	0	0	110.2	K501	E499-K501 PolarHBondContact O-N 3.43Å
500	V	24.1	Very low	23.1	Very low	123 Å²	123	154.8 Å²	154.8	75%	0.745	83%	0.831	S	S	*	*			trans	-73.7	97.1	174.6	-179.2	0	0	0	0	109.7	E498 T502	E498-V500 PolarHBondContact O-N 2.91Å; V500-T502 PolarHBondContact O-N 2.84Å; V500-T502 VanDerWaalsContact O-N 3.08Å
501	K	20.4	Very low	23.2	Very low	176 Å²	176	156.7 Å²	156.7	77%	0.765	83%	0.826	S	S	*	*			trans	-69	89.5	169.7	-74.9	172.7	179.8	165.3	0	111	E499	E499-K501 PolarHBondContact O-N 3.43Å
502	T	22.9	Very low	23.3	Very low	127 Å²	127	165.1 Å²	165.1	78%	0.779	84%	0.836	S	S	*	*			trans	-86.9	114.6	168.9	-18	0	0	0	0	110.2	V500	V500-T502 PolarHBondContact O-N 2.84Å; V500-T502 VanDerWaalsContact O-N 3.08Å
503	R	20.8	Very low	23.2	Very low	236 Å²	236	162.8 Å²	162.8	89%	0.891	83%	0.833	S	S	*	*			trans	-58.9	131.9	-179	-76.5	-180	174.6	178.3	-1.8	112.5	F505	R503-F505 PolarHBondContact O-N 2.83Å
504	L	21.2	Very low	23.3	Very low	175 Å²	175	166.9 Å²	166.9	92%	0.916	84%	0.836	S	S	*	*			trans	-59.8	116.6	168.5	-75.3	149.1	0	0	0	111.1
505	F	24.1	Very low	23.5	Very low	200 Å²	200	165 Å²	165	88%	0.877	84%	0.835	S	S	*	*			trans	-108.2	113.2	152.3	-94.3	-80.1	0	0	0	108.9	R503	R503-F505 PolarHBondContact O-N 2.83Å
506	A	23.4	Very low	23.6	Very low	86 Å²	86	160.8 Å²	160.8	71%	0.711	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-69.1	151.3	172.8	0	0	0	0	0	111.1
507	P	25.3	Very low	23.7	Very low	130 Å²	130	166.1 Å²	166.1	84%	0.844	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-87.2	128.6	-162.3	3.4	15.6	0	0	0	111.7
508	Q	26.1	Very low	23.5	Very low	195 Å²	195	170.9 Å²	170.9	91%	0.911	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-79	119.2	162.1	-70	-152.7	6.1	0	0	109.9
509	G	20.9	Very low	23.7	Very low	66 Å²	66	171.7 Å²	171.7	68%	0.68	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-71.1	145.6	169	0	0	0	0	0	111.9
510	R	27.4	Very low	23.8	Very low	227 Å²	227	173.2 Å²	173.2	86%	0.857	84%	0.842	S	S	*	*			trans	-176.4	131.9	134.8	-100.7	167.3	-167.8	-165.7	6.3	112.2
511	R	26.6	Very low	23.5	Very low	222 Å²	222	174 Å²	174	84%	0.838	85%	0.847	S	S	*	*			trans	70.2	103.7	142.5	-66.3	-175.7	179.2	-169.6	0.3	121.1
512	R	23.8	Very low	23.5	Very low	247 Å²	247	174 Å²	174	93%	0.932	85%	0.852	S	S	*	*				24.2	119.1	126.4	-68.3	-174.6	179.2	-176.4	1.1	119
513	G	22	Very low	23.3	Very low	74 Å²	74	172.2 Å²	172.2	76%	0.763	85%	0.845	S	S	*	*				95	107.9	125.8	0	0	0	0	0	117.6
514	R	29	Very low	23.2	Very low	257 Å²	257	166.2 Å²	166.2	97%	0.97	84%	0.838	S	S	*	*			trans	-165.2	155.4	137.2	-107.8	175.4	-149.7	-122.6	6.7	112.2
515	L	26.8	Very low	23.2	Very low	172 Å²	172	166 Å²	166	90%	0.901	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-70.1	156.1	-163.2	-74.3	151.9	0	0	0	115.7	R517	L515-R517 PolarHBondContact O-N 3.3Å
516	A	24.5	Very low	22.9	Very low	104 Å²	104	161.5 Å²	161.5	86%	0.86	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-56.3	120.2	174.5	0	0	0	0	0	112.5
517	R	23.9	Very low	22.8	Very low	224 Å²	224	164.8 Å²	164.8	85%	0.845	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-91.2	121.5	168.6	-142.7	175.5	-169.8	173.1	1.3	108.1	L515 F519	L515-R517 PolarHBondContact O-N 3.3Å; R517-F519 PolarHBondContact O-N 2.98Å
518	K	19.8	Very low	22.6	Very low	207 Å²	207	166.2 Å²	166.2	90%	0.9	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-57.4	126.7	171	-64.3	177.3	177.4	-179.5	0	109.2
519	F	24.7	Very low	22.4	Very low	195 Å²	195	164.9 Å²	164.9	86%	0.855	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-102.4	127.8	163.8	-84.3	-81.6	0	0	0	109.5	R517	R517-F519 PolarHBondContact O-N 2.98Å
520	K	21.4	Very low	22.3	Very low	195 Å²	195	167 Å²	167	85%	0.848	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-64.7	144.8	177.9	-83.4	174.1	169.1	179.8	0	111.2
521	T	18.8	Very low	22	Very low	138 Å²	138	162.9 Å²	162.9	85%	0.847	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-47	125.1	154.8	40.9	0	0	0	0	111.4
522	M	19.8	Very low	21.6	Very low	176 Å²	176	161 Å²	161	87%	0.867	83%	0.83	S	S	*	*			trans	-107.2	122.7	161.4	-80.3	-65.9	-66.9	0	0	108.3
523	S	18.6	Very low	21.5	Very low	91 Å²	91	157.9 Å²	157.9	64%	0.636	83%	0.826	S	S	*	*			trans	-84.2	153.4	177.9	51	0	0	0	0	111.5
524	C	18.8	Very low	21.3	Very low	110 Å²	110	162.9 Å²	162.9	74%	0.743	83%	0.83	S	S	*	*			trans	46.3	127	152.8	45	0	0	0	0	120.8
525	L	21.4	Very low	20.9	Very low	169 Å²	169	158.1 Å²	158.1	89%	0.885	82%	0.824	S	S	*	*				-158.4	107	125.2	-100.8	160.4	0	0	0	108.8
526	S	18.4	Very low	20.5	Very low	106 Å²	106	158.3 Å²	158.3	74%	0.741	82%	0.82	S	S	*	*			trans	-88.4	122.9	168.4	47.1	0	0	0	0	109
527	H	20	Very low	20.4	Very low	155 Å²	155	162.9 Å²	162.9	72%	0.718	82%	0.824	S	S	*	*			trans	-158.1	119.5	155.4	-97.9	-69.2	0	0	0	106.8
528	N	22.6	Very low	20.1	Very low	160 Å²	160	157.4 Å²	157.4	86%	0.856	82%	0.815	S	S	*	*				-172.9	147	119.2	-87.8	-13.2	0	0	0	111.2
529	Q	21.4	Very low	20	Very low	167 Å²	167	156.1 Å²	156.1	78%	0.78	81%	0.81	S	S	*	*			trans	-77.8	146.3	-161.2	-71.5	149.1	-18.5	0	0	112.2
530	S	18.3	Very low	19.7	Very low	110 Å²	110	154.9 Å²	154.9	77%	0.769	81%	0.811	S	S	*	*			trans	-55.1	130.2	160.4	46.8	0	0	0	0	111.5
531	T	21.1	Very low	19.5	Very low	141 Å²	141	154.4 Å²	154.4	87%	0.865	81%	0.809	S	S	*	*			trans	-127.6	106.7	154.1	38.1	0	0	0	0	107.6
532	E	18.6	Very low	19.4	Very low	183 Å²	183	154.3 Å²	154.3	86%	0.855	81%	0.812	S	S	*	*			trans	-76.1	124.4	166.6	-68	173.2	144.8	0	0	108.2
533	Q	20.6	Very low	19.3	Very low	182 Å²	182	150.9 Å²	150.9	85%	0.85	81%	0.806	S	S	*	*			trans	-137.8	106.6	153.7	-76.2	-167.1	-14.5	0	0	108.7
534	Q	18.9	Very low	19.4	Very low	178 Å²	178	154.5 Å²	154.5	83%	0.832	82%	0.816	S	S	*	*			trans	-67	132.8	162.6	-64.3	175.9	-11.6	0	0	108.4
535	N	21.1	Very low	19.3	Very low	158 Å²	158	154.6 Å²	154.6	85%	0.845	82%	0.818	S	S	*	*			trans	-135.9	101.6	163	-93.1	-26.2	0	0	0	108.3
536	E	18.1	Very low	19.1	Very low	176 Å²	176	154.2 Å²	154.2	82%	0.822	82%	0.817	S	S	*	*			trans	-81	135.1	163.5	-62.5	-179.9	149.5	0	0	109.1
537	Q	21.3	Very low	19.2	Very low	200 Å²	200	154.2 Å²	154.2	94%	0.935	82%	0.817	S	S	*	*			trans	-153.8	142.2	154.5	-113	174.5	24.4	0	0	110.9
538	T	17.8	Very low	19.3	Very low	108 Å²	108	155.9 Å²	155.9	66%	0.663	83%	0.825	S	S	*	*			trans	-118.6	173.4	-150	34.6	0	0	0	0	112.9
539	F	17.9	Very low	19.1	Very low	181 Å²	181	155.9 Å²	155.9	79%	0.794	83%	0.825	S	S	*	*			trans	83.4	140.9	163.9	-60.9	-83.6	0	0	0	117.8
540	L	19.5	Very low	19	Very low	168 Å²	168	154.3 Å²	154.3	88%	0.88	83%	0.826	S	S	*	*			cis	-141.3	150.1	30.1	-82	163	0	0	0	113.3
541	K	16.2	Very low	19.1	Very low	186 Å²	186	155.7 Å²	155.7	81%	0.809	83%	0.825	S	S	*	*			trans	-103.3	135.7	-179.9	-163.4	177.7	-169.8	178.2	0	108
542	C	17.1	Very low	18.9	Very low	135 Å²	135	154.7 Å²	154.7	91%	0.912	82%	0.819	S	S	*	*			trans	-123.4	116.1	164.6	-100.6	0	0	0	0	109
543	S	17.1	Very low	18.9	Very low	104 Å²	104	155 Å²	155	73%	0.727	82%	0.82	S	S	*	*			trans	-92.3	132.3	177.2	-40.4	0	0	0	0	109.3
544	I	20.3	Very low	18.9	Very low	167 Å²	167	151.5 Å²	151.5	86%	0.856	82%	0.817	S	S	*	*			trans	-127.3	126.7	156.4	-60.9	178.5	0	0	0	106.9
545	S	18	Very low	19	Very low	113 Å²	113	149.3 Å²	149.3	79%	0.79	82%	0.819	S	S	*	*			trans	-77	148.9	-170.6	41.3	0	0	0	0	114
546	N	17.7	Very low	18.9	Very low	160 Å²	160	145.4 Å²	145.4	86%	0.856	82%	0.816	S	S	*	*			trans	-53.4	149.3	170.8	-60.6	-25.9	0	0	0	114.4
547	S	20.4	Very low	18.8	Very low	106 Å²	106	146.3 Å²	146.3	74%	0.741	82%	0.821	S	S	*	*			trans	-165.8	118.7	132.8	56.4	0	0	0	0	112.3
548	E	20.4	Very low	18.7	Very low	191 Å²	191	144.6 Å²	144.6	89%	0.893	82%	0.816	S	S	*	*			trans	86	109.5	135.6	-65.1	177	176.8	0	0	121.8
549	N	18.6	Very low	18.7	Very low	160 Å²	160	148 Å²	148	86%	0.856	83%	0.825	S	S	*	*			trans	-73.7	138.9	161.9	-66.7	-34.7	0	0	0	111.3
550	V	21.1	Very low	18.7	Very low	133 Å²	133	150.2 Å²	150.2	81%	0.806	83%	0.829	S	S	*	*			trans	-141.9	108.2	153	-178.7	0	0	0	0	110.4
551	N	19.4	Very low	18.7	Very low	139 Å²	139	151.5 Å²	151.5	74%	0.743	83%	0.83	S	S	*	*			trans	30.7	116.4	140.5	-57.6	-15.1	0	0	0	122.6
552	T	17.5	Very low	18.8	Very low	120 Å²	120	149.5 Å²	149.5	74%	0.736	83%	0.834	S	S	*	*				11.2	127.1	123.2	51.9	0	0	0	0	120.3
553	E	19	Very low	19.1	Very low	189 Å²	189	149 Å²	149	88%	0.883	83%	0.832	S	S	*	*				180	123.4	115.6	-97.7	173.3	-168.8	0	0	113.9
554	S	18.7	Very low	19.3	Very low	110 Å²	110	147.6 Å²	147.6	77%	0.769	83%	0.834	S	S	*	*			trans	25.2	125.4	138.7	168.3	0	0	0	0	122.1
555	C	21.4	Very low	19.5	Very low	132 Å²	132	146.6 Å²	146.6	89%	0.892	83%	0.83	S	S	*	*			trans	-167.9	122	133.8	-98.8	0	0	0	0	113.7
556	G	19.2	Very low	19.8	Very low	76 Å²	76	150.8 Å²	150.8	78%	0.784	84%	0.837	S	S	*	*				96.7	107.9	116.4	0	0	0	0	0	120.9
557	E	17	Very low	20.1	Very low	195 Å²	195	150.1 Å²	150.1	91%	0.911	83%	0.832	S	S	*	*			trans	-67.6	154.1	173.3	-61	166.8	137	0	0	115.1
558	I	19.3	Very low	20.3	Very low	164 Å²	164	152.4 Å²	152.4	84%	0.841	84%	0.835	S	S	*	*			trans	-126.5	122.4	168.3	-61	176.7	0	0	0	109.5
559	Q	17.6	Very low	20.4	Very low	180 Å²	180	151.7 Å²	151.7	84%	0.841	83%	0.832	S	S	*	*			trans	-84	153.9	-176.5	-80.7	174.5	-22.9	0	0	114.4
560	Y	18.5	Very low	20.7	Very low	227 Å²	227	150.2 Å²	150.2	89%	0.89	83%	0.829	S	S	*	*			trans	-84.7	146.5	179.2	-75.2	-96.1	0	0	0	113.4
561	H	18.2	Very low	21.2	Very low	195 Å²	195	150.2 Å²	150.2	90%	0.903	82%	0.824	S	S	*	*			trans	-110.4	124.9	166.1	-87.9	-76.3	0	0	0	111.8
562	T	19.4	Very low	21.7	Very low	144 Å²	144	151.1 Å²	151.1	88%	0.883	83%	0.828	S	S	*	*			trans	-89.7	138.6	171.1	27.7	0	0	0	0	112.1
563	S	22.2	Very low	22.5	Very low	125 Å²	125	149.3 Å²	149.3	87%	0.874	82%	0.82	S	S	*	*			trans	-143.4	128.5	159.8	59.6	0	0	0	0	109.5
564	G	22	Very low	23.6	Very low	74 Å²	74	143.1 Å²	143.1	76%	0.763	80%	0.797	S	S	*	*			trans	-108.9	-179	-166.1	0	0	0	0	0	117.6
565	N	24.3	Very low	24.4	Very low	145 Å²	145	143.4 Å²	143.4	78%	0.775	79%	0.79	S	S	*	*			trans	63	87.3	152.1	-64.7	-9.1	0	0	0	120.1
566	E	24.3	Very low	25.5	Very low	202 Å²	202	139.7 Å²	139.7	94%	0.944	77%	0.766	S	S	*	*			trans	-120.6	90.1	145.7	-74.1	-174.6	166.6	0	0	109
567	I	23.6	Very low	26.6	Very low	146 Å²	146	140.4 Å²	140.4	75%	0.749	75%	0.752	S	S	*	*			trans	-99.5	95.8	170	-61	170.4	0	0	0	106.9
568	L	24.1	Very low	28.1	Very low	154 Å²	154	135.7 Å²	135.7	81%	0.806	73%	0.732	S	S	*	*			trans	-142.1	113.8	163.5	-78.5	178	0	0	0	112
569	Q	23.9	Very low	29.4	Very low	176 Å²	176	135.4 Å²	135.4	82%	0.822	72%	0.721	S	S	*	*			trans	75.5	74.1	144.9	-58	-178.2	3.5	0	0	120
570	T	25.1	Very low	30.7	Very low	129 Å²	129	130.9 Å²	130.9	79%	0.791	70%	0.703	S	S	*	*			trans	-137.4	19.8	158.4	49.3	0	0	0	0	115.4
571	N	29.8	Very low	32	Very low	132 Å²	132	123.4 Å²	123.4	71%	0.706	68%	0.684	S	S	*	*			trans	-102.4	25	-173.3	-87.9	-11	0	0	0	117.3
572	I	31.7	Very low	33.5	Very low	159 Å²	159	116.2 Å²	116.2	82%	0.815	65%	0.652	S	S	*	*	S	Bend	trans	-109.8	-14.4	177	-57.4	178.8	0	0	0	113.7
573	S	32.9	Very low	35.1	Very low	82 Å²	82	115.5 Å²	115.5	57%	0.573	64%	0.636	S	S	*	*	S	Bend	trans	-80.6	-43.7	-179.8	-170	0	0	0	0	113.6	N575 S576	S573-N575 PolarHBondContact O-N 2.96Å; S573-S576 PolarHBondContact O-N 2.83Å; S573-S576 PolarHBondContact O-OG 2.89Å
574	S	42.1	Very low	36.3	Very low	58 Å²	58	112.7 Å²	112.7	41%	0.406	62%	0.617	S	S	.	*	H	α-helix	trans	-67.2	-32.3	-167.8	49.2	0	0	0	0	114.5	S576	S574-S576 VanDerWaalsContact C-N 3.32Å; S574-S576 PolarHBondContact O-N 3.07Å
575	N	36.3	Very low	37.3	Very low	116 Å²	116	114.3 Å²	114.3	62%	0.62	61%	0.607	S	S	*	*	H	α-helix	trans	-73.8	-24	-178.8	-76.2	-15.7	0	0	0	113.2	S573 Y579	S573-N575 PolarHBondContact O-N 2.96Å; N575-Y579 PolarHBondContact O-N 2.79Å
576	S	43.8	Very low	38.2	Very low	55 Å²	55	109.4 Å²	109.4	39%	0.385	58%	0.583	S	S	.	*	H	α-helix	trans	-73.9	-33.9	177.6	73.8	0	0	0	0	112.5	S573 S574 Y579 N580	S573-S576 PolarHBondContact O-N 2.83Å; S573-S576 PolarHBondContact O-OG 2.89Å; S574-S576 VanDerWaalsContact C-N 3.32Å; S574-S576 PolarHBondContact O-N 3.07Å; S576-Y579 PolarHBondContact O-N 3.45Å; S576-N580 WeakPolarHBondContact O-CB 3.37Å; S576-N580 PolarHBondContact O-N 3.4Å; S576-N580 PolarHBondContact O-ND2 2.75Å
577	D	43.6	Very low	39.5	Very low	91 Å²	91	107.4 Å²	107.4	49%	0.487	57%	0.567	S	S	.	*	H	α-helix	trans	-72.7	-36.6	-178.7	-68.1	-33.3	0	0	0	112.5	S581	D577-S581 WeakPolarHBondContact O-CB 3.4Å; D577-S581 PolarHBondContact O-N 3.41Å; D577-S581 PolarHBondContact O-OG 2.66Å
578	I	48.1	Very low	40.1	Very low	96 Å²	96	105.3 Å²	105.3	49%	0.492	56%	0.556	S	S	.	*	H	α-helix	trans	-66.4	-45.7	173.7	-61.6	172.9	0	0	0	110	N580 S581 L582	I578-N580 PolarHBondContact O-N 3.5Å; I578-S581 PolarHBondContact O-N 2.77Å; I578-L582 HydrophobicContact CG2-CD1 4.03Å; I578-L582 WeakPolarHBondContact O-CG 3.37Å; I578-L582 PolarHBondContact O-N 2.71Å
579	Y	45.8	Very low	41	Very low	157 Å²	157	100.8 Å²	100.8	62%	0.616	54%	0.541	S	S	*	.	H	α-helix	trans	-63.1	-41.4	177.7	-173.3	-96.1	0	0	0	112.2	N575 S576 L582 K583	N575-Y579 PolarHBondContact O-N 2.79Å; S576-Y579 PolarHBondContact O-N 3.45Å; Y579-L582 PolarHBondContact O-N 3.36Å; Y579-K583 HydrophobicContact CE1-CD 4.46Å; Y579-K583 WeakPolarHBondContact O-CB 3.41Å; Y579-K583 PolarHBondContact O-N 2.71Å
580	N	44.9	Very low	41.9	Very low	85 Å²	85	100.1 Å²	100.1	46%	0.455	54%	0.538	S	S	.	.	H	α-helix	trans	-67.3	-36	176.5	-74.2	-33.5	0	0	0	112.7	S576 I578 K583 S584	S576-N580 WeakPolarHBondContact O-CB 3.37Å; S576-N580 PolarHBondContact O-N 3.4Å; S576-N580 PolarHBondContact O-ND2 2.75Å; I578-N580 PolarHBondContact O-N 3.5Å; N580-K583 PolarHBondContact O-N 3.29Å; N580-S584 WeakPolarHBondContact O-CB 3.33Å; N580-S584 PolarHBondContact O-N 2.82Å; N580-S584 PolarHBondContact O-OG 2.82Å
581	S	47.2	Very low	42.3	Very low	70 Å²	70	97.9 Å²	97.9	49%	0.49	52%	0.521	S	S	.	.	H	α-helix	trans	-67	-41.1	174.8	-61.7	0	0	0	0	111.7	D577 I578 S584 L585	D577-S581 WeakPolarHBondContact O-CB 3.4Å; D577-S581 PolarHBondContact O-N 3.41Å; D577-S581 PolarHBondContact O-OG 2.66Å; I578-S581 PolarHBondContact O-N 2.77Å; S581-S584 PolarHBondContact O-N 2.83Å; S581-L585 PolarHBondContact O-N 3.41Å
582	L	48.4	Very low	42.8	Very low	44 Å²	44	97.1 Å²	97.1	23%	0.23	52%	0.521	C	S	.	.	H	α-helix	trans	-68.2	-36.7	174.6	-73.1	168.7	0	0	0	112.5	I578 Y579 S584 L585 T586 I671	I578-L582 HydrophobicContact CG2-CD1 4.03Å; I578-L582 WeakPolarHBondContact O-CG 3.37Å; I578-L582 PolarHBondContact O-N 2.71Å; Y579-L582 PolarHBondContact O-N 3.36Å; L582-S584 VanDerWaalsContact C-N 3.31Å; L582-L585 PolarHBondContact O-N 3.32Å; L582-T586 PolarHBondContact O-N 2.77Å; L582-T586 PolarHBondContact O-OG1 3.47Å; L582-I671 HydrophobicContact CD2-CG2 3.92Å
583	K	52.8	Low	42.9	Very low	129 Å²	129	98 Å²	98	56%	0.561	52%	0.522	S	S	*	.	H	α-helix	trans	-65.8	-35.8	173.3	-163.1	172.6	-175.9	175.3	0	112.1	Y579 N580 T586 W587	Y579-K583 HydrophobicContact CE1-CD 4.46Å; Y579-K583 WeakPolarHBondContact O-CB 3.41Å; Y579-K583 PolarHBondContact O-N 2.71Å; N580-K583 PolarHBondContact O-N 3.29Å; K583-T586 VanDerWaalsContact CA-OG1 3.23Å; K583-T586 WeakPolarHBondContact CA-OG1 3.24Å; K583-T586 PolarHBondContact O-OG1 3.39Å; K583-W587 VanDerWaalsContact O-CB 3.25Å; K583-W587 WeakPolarHBondContact O-CB 3.31Å; K583-W587 PolarHBondContact O-N 2.76Å
584	S	48.1	Very low	42.9	Very low	67 Å²	67	99.5 Å²	99.5	47%	0.469	53%	0.528	S	S	.	.	H	α-helix	trans	-69.1	-39.6	174.7	-57.9	0	0	0	0	111.6	N580 S581 L582 L588	N580-S584 WeakPolarHBondContact O-CB 3.33Å; N580-S584 PolarHBondContact O-N 2.82Å; N580-S584 PolarHBondContact O-OG 2.82Å; S581-S584 PolarHBondContact O-N 2.83Å; L582-S584 VanDerWaalsContact C-N 3.31Å; S584-L588 WeakPolarHBondContact O-CB 3.34Å; S584-L588 VanDerWaalsContact O-CG 3.25Å; S584-L588 WeakPolarHBondContact O-CG 3.19Å; S584-L588 PolarHBondContact O-N 3.17Å
585	L	41.8	Very low	42.4	Very low	107 Å²	107	102.4 Å²	102.4	56%	0.56	55%	0.545	S	S	*	.	H	α-helix	trans	-67.1	-42.3	175.1	-79.7	163.9	0	0	0	112.8	S581 L582 L588 A589	S581-L585 PolarHBondContact O-N 3.41Å; L582-L585 PolarHBondContact O-N 3.32Å; L585-L588 PolarHBondContact O-N 2.94Å; L585-A589 WeakPolarHBondContact O-CB 3.49Å; L585-A589 PolarHBondContact O-N 3.29Å
586	T	44	Very low	41.9	Very low	43 Å²	43	104.8 Å²	104.8	26%	0.264	56%	0.557	S	S	.	*	H	α-helix	trans	-66.4	-42.4	175	40.6	0	0	0	0	111.9	L582 K583 L588 A589 E590	L582-T586 PolarHBondContact O-N 2.77Å; L582-T586 PolarHBondContact O-OG1 3.47Å; K583-T586 VanDerWaalsContact CA-OG1 3.23Å; K583-T586 WeakPolarHBondContact CA-OG1 3.24Å; K583-T586 PolarHBondContact O-OG1 3.39Å; T586-L588 VanDerWaalsContact C-N 3.33Å; T586-L588 PolarHBondContact O-N 3.28Å; T586-A589 PolarHBondContact O-N 3.1Å; T586-A589 VanDerWaalsContact O-N 3.17Å; T586-E590 PolarHBondContact O-N 3.22Å
587	W	52.1	Low	41.1	Very low	160 Å²	160	108.7 Å²	108.7	61%	0.606	58%	0.579	S	S	*	*	H	α-helix	trans	-61.2	-40.7	173.8	-176.5	84.7	0	0	0	112.3	K583 N591	K583-W587 VanDerWaalsContact O-CB 3.25Å; K583-W587 WeakPolarHBondContact O-CB 3.31Å; K583-W587 PolarHBondContact O-N 2.76Å; W587-N591 PolarHBondContact NE1-ND2 2.8Å; W587-N591 VanDerWaalsContact NE1-ND2 3.14Å; W587-N591 VanDerWaalsContact O-CB 3.32Å; W587-N591 WeakPolarHBondContact O-CB 3.41Å; W587-N591 PolarHBondContact O-N 3.26Å; W587-N591 PolarHBondContact O-ND2 2.93Å
588	L	34.9	Very low	40.3	Very low	101 Å²	101	109.8 Å²	109.8	53%	0.529	59%	0.589	S	S	.	*	H	α-helix	trans	-66.2	-37.4	174.3	-75.8	170.1	0	0	0	112.1	S584 L585 T586 V592	S584-L588 WeakPolarHBondContact O-CB 3.34Å; S584-L588 VanDerWaalsContact O-CG 3.25Å; S584-L588 WeakPolarHBondContact O-CG 3.19Å; S584-L588 PolarHBondContact O-N 3.17Å; L585-L588 PolarHBondContact O-N 2.94Å; T586-L588 VanDerWaalsContact C-N 3.33Å; T586-L588 PolarHBondContact O-N 3.28Å; L588-V592 WeakPolarHBondContact O-CG2 3.45Å; L588-V592 PolarHBondContact O-N 3.38Å
589	A	43.5	Very low	39.2	Very low	59 Å²	59	110.4 Å²	110.4	49%	0.488	60%	0.599	S	S	.	*	H	α-helix	trans	-68.9	-37.6	178.4	0	0	0	0	0	112.8	L585 T586	L585-A589 WeakPolarHBondContact O-CB 3.49Å; L585-A589 PolarHBondContact O-N 3.29Å; T586-A589 PolarHBondContact O-N 3.1Å; T586-A589 VanDerWaalsContact O-N 3.17Å
590	E	42.4	Very low	38.3	Very low	163 Å²	163	108.3 Å²	108.3	76%	0.762	60%	0.602	S	S	*	*	H	α-helix	trans	-77.5	-31.5	177.4	-73.1	-175.5	164.1	0	0	113.2	T586	T586-E590 PolarHBondContact O-N 3.22Å
591	N	34.3	Very low	37.4	Very low	82 Å²	82	113.1 Å²	113.1	44%	0.439	62%	0.621	S	S	.	*			trans	-100.6	19.4	-174.5	-64.4	-73.1	0	0	0	114.8	W587 E593	W587-N591 PolarHBondContact NE1-ND2 2.8Å; W587-N591 VanDerWaalsContact NE1-ND2 3.14Å; W587-N591 VanDerWaalsContact O-CB 3.32Å; W587-N591 WeakPolarHBondContact O-CB 3.41Å; W587-N591 PolarHBondContact O-N 3.26Å; W587-N591 PolarHBondContact O-ND2 2.93Å; N591-E593 PolarHBondContact O-N 2.75Å
592	V	41.3	Very low	36.6	Very low	115 Å²	115	120.4 Å²	120.4	70%	0.697	64%	0.638	S	S	*	*	S	Bend	trans	-70.4	87.6	156.1	-179	0	0	0	0	107.3	L588 T594	L588-V592 WeakPolarHBondContact O-CG2 3.45Å; L588-V592 PolarHBondContact O-N 3.38Å; V592-T594 PolarHBondContact O-N 3.17Å
593	E	33.7	Very low	35.7	Very low	178 Å²	178	130.1 Å²	130.1	83%	0.832	67%	0.672	S	S	*	*			trans	-36.7	114.9	-173.6	-65.6	176.2	156.9	0	0	113.7	N591	N591-E593 PolarHBondContact O-N 2.75Å
594	T	32.7	Very low	34.7	Very low	114 Å²	114	136.1 Å²	136.1	70%	0.699	69%	0.691	S	S	*	*			trans	-63.3	132.8	151.1	47.2	0	0	0	0	107.8	V592 L596	V592-T594 PolarHBondContact O-N 3.17Å; T594-L596 PolarHBondContact O-N 3.28Å
595	P	31	Very low	33.8	Very low	119 Å²	119	136.3 Å²	136.3	77%	0.773	70%	0.703	S	S	*	*			trans	-67.9	110.7	-173.2	24.9	-31.8	0	0	0	110.2	T597	P595-T597 PolarHBondContact O-N 3.26Å
596	L	25.1	Very low	33.5	Very low	165 Å²	165	142.8 Å²	142.8	86%	0.864	72%	0.721	S	S	*	*			trans	-54.6	105.7	165.2	-71	169.1	0	0	0	108.7	T594 V598	T594-L596 PolarHBondContact O-N 3.28Å; L596-V598 PolarHBondContact O-N 3Å
597	T	27.7	Very low	33	Very low	137 Å²	137	146.1 Å²	146.1	84%	0.84	74%	0.743	S	S	*	*			trans	-67.6	81	169.9	20.1	0	0	0	0	109	P595 P599	P595-T597 PolarHBondContact O-N 3.26Å; T597-P599 WeakPolarHBondContact O-CD 3.39Å
598	V	26	Very low	32.3	Very low	115 Å²	115	144.8 Å²	144.8	70%	0.697	76%	0.755	S	S	*	*			trans	-66.6	119.4	164.6	-179.6	0	0	0	0	107.4	L596 V600	L596-V598 PolarHBondContact O-N 3Å; V598-V600 PolarHBondContact O-N 3.16Å
599	P	24.9	Very low	32.2	Very low	108 Å²	108	151.6 Å²	151.6	70%	0.701	77%	0.774	S	S	*	*			trans	-70.5	101.3	-176.5	25.9	-30.6	0	0	0	109.9	T597 H601	T597-P599 WeakPolarHBondContact O-CD 3.39Å; P599-H601 PolarHBondContact O-N 3.45Å; P599-H601 VanDerWaalsContact O-N 3.15Å
600	V	28.1	Very low	31.9	Very low	114 Å²	114	156 Å²	156	69%	0.691	79%	0.789	S	S	*	*			trans	-74.4	103.1	169.4	-179.7	0	0	0	0	108	V598 R602	V598-V600 PolarHBondContact O-N 3.16Å; V600-R602 VanDerWaalsContact C-N 3.34Å; V600-R602 HydrophobicContact CG1-CG 4.24Å; V600-R602 PolarHBondContact O-N 2.87Å
601	H	25.2	Very low	31.6	Very low	186 Å²	186	154 Å²	154	86%	0.861	79%	0.79	S	S	*	*			trans	-57.6	93.2	167.4	-80.7	-68.7	0	0	0	110.4	P599	P599-H601 PolarHBondContact O-N 3.45Å; P599-H601 VanDerWaalsContact O-N 3.15Å
602	R	30.3	Very low	31.5	Very low	223 Å²	223	162 Å²	162	84%	0.842	81%	0.814	S	S	*	*			trans	-81.3	119.1	168.9	-74.1	-173.1	176.7	163.1	0.9	109.3	V600 R604	V600-R602 VanDerWaalsContact C-N 3.34Å; V600-R602 HydrophobicContact CG1-CG 4.24Å; V600-R602 PolarHBondContact O-N 2.87Å; R602-R604 PolarHBondContact O-N 2.98Å
603	R	29.6	Very low	31.3	Very low	247 Å²	247	164.2 Å²	164.2	93%	0.932	82%	0.82	S	S	*	*			trans	-50.9	122.1	171.9	-68.1	-178.3	177.2	-171.1	-1.5	109.6	G605	R603-G605 PolarHBondContact O-N 2.83Å
604	R	32.5	Very low	31.4	Very low	255 Å²	255	161.6 Å²	161.6	96%	0.962	82%	0.819	S	S	*	*			trans	-62	101	178.9	-70.5	-178.2	178.5	-168.3	-0.4	110.4	R602	R602-R604 PolarHBondContact O-N 2.98Å
605	G	28.2	Very low	31.3	Very low	71 Å²	71	161.7 Å²	161.7	73%	0.732	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-83.9	136.6	161.4	0	0	0	0	0	110.1	R603	R603-G605 PolarHBondContact O-N 2.83Å
606	R	35.5	Very low	31.1	Very low	244 Å²	244	161.4 Å²	161.4	92%	0.921	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-59.6	142.2	-169.4	-70.2	-178.8	176.8	-154.5	-1.4	113.9
607	P	34.2	Very low	31.4	Very low	113 Å²	113	160.3 Å²	160.3	73%	0.734	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-76.6	147.2	-178.9	31.4	-34	0	0	0	112.3
608	P	36.8	Very low	31.4	Very low	132 Å²	132	159.1 Å²	159.1	86%	0.857	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-75	138.6	177.7	23.3	-20.8	0	0	0	112
609	R	33.9	Very low	31.7	Very low	244 Å²	244	162.7 Å²	162.7	92%	0.921	83%	0.832	S	S	*	*	S	Bend	trans	-71.7	128.9	179.8	-75.6	176.4	171	169.6	-5.1	111.8
610	N	35.5	Very low	31.9	Very low	151 Å²	151	163.5 Å²	163.5	81%	0.807	84%	0.84	S	S	*	*			trans	62.5	116.1	160.8	-70.5	-2.2	0	0	0	119.5
611	P	36.9	Very low	32.2	Very low	122 Å²	122	163.5 Å²	163.5	79%	0.792	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-80.8	128	176.3	32.1	-29.1	0	0	0	110.8
612	R	32.8	Very low	32.4	Very low	248 Å²	248	165.9 Å²	165.9	94%	0.936	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-84.6	122.7	171.9	-78.8	-177.3	176.9	170.4	-1.7	110.2
613	I	37.1	Very low	32.4	Very low	163 Å²	163	161 Å²	161	84%	0.836	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-68	138	173.8	-62	166	0	0	0	109.1
614	P	35.4	Very low	32.7	Very low	123 Å²	123	153 Å²	153	80%	0.799	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-91	128.4	-173	9	9.8	0	0	0	112.4
615	S	29.7	Very low	32.8	Very low	116 Å²	116	148.9 Å²	148.9	81%	0.811	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-79.6	132.1	166.4	51.9	0	0	0	0	111
616	S	28.2	Very low	33.3	Very low	113 Å²	113	149.2 Å²	149.2	79%	0.79	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-55	120.4	176.2	49.6	0	0	0	0	114.1
617	T	30.9	Very low	33.3	Very low	142 Å²	142	140.5 Å²	140.5	87%	0.871	78%	0.776	S	S	*	*			trans	-156.9	127.8	141	-45.9	0	0	0	0	109.3
618	S	28.6	Very low	33.6	Very low	112 Å²	112	142 Å²	142	78%	0.783	77%	0.774	S	S	*	*			trans	-71.9	124.7	-174.4	-30.3	0	0	0	0	111.8
619	Q	32.3	Very low	33.8	Very low	189 Å²	189	144.1 Å²	144.1	88%	0.883	77%	0.769	S	S	*	*			trans	-166.3	117.4	149.6	-104.7	165.9	25.2	0	0	108.1	V621	Q619-V621 VanDerWaalsContact C-N 3.34Å; Q619-V621 PolarHBondContact O-N 2.87Å
620	S	28.9	Very low	34.2	Very low	126 Å²	126	134.7 Å²	134.7	88%	0.881	74%	0.739	S	S	*	*			trans	-72.1	82.3	-174.6	59.4	0	0	0	0	111.2
621	V	34	Very low	34.7	Very low	114 Å²	114	131.1 Å²	131.1	69%	0.691	72%	0.716	S	S	*	*			trans	-88.8	122	156.8	179.6	0	0	0	0	106.1	Q619 N623	Q619-V621 VanDerWaalsContact C-N 3.34Å; Q619-V621 PolarHBondContact O-N 2.87Å; V621-N623 PolarHBondContact O-N 3.22Å
622	Y	28.9	Very low	35.2	Very low	236 Å²	236	132 Å²	132	93%	0.925	71%	0.714	S	S	*	*			trans	-41.3	102.9	173.9	-102.3	-98.2	0	0	0	110.2	A624	Y622-A624 PolarHBondContact O-N 3.35Å; Y622-A624 VanDerWaalsContact O-N 3.15Å
623	N	29.7	Very low	36.4	Very low	119 Å²	119	125.6 Å²	125.6	64%	0.636	70%	0.703	S	S	*	*			trans	-75.7	106.1	-176.2	-89.5	-35.7	0	0	0	108.5	V621 K625 S626	V621-N623 PolarHBondContact O-N 3.22Å; N623-K625 PolarHBondContact O-N 2.85Å; N623-S626 PolarHBondContact O-N 2.82Å; N623-S626 PolarHBondContact O-OG 2.87Å; N623-S626 VanDerWaalsContact O-OG 3.05Å
624	A	37.1	Very low	37.9	Very low	81 Å²	81	118.2 Å²	118.2	67%	0.669	67%	0.665	S	S	*	*	H	α-helix	trans	-53.4	-10.8	170.1	0	0	0	0	0	114.1	Y622	Y622-A624 PolarHBondContact O-N 3.35Å; Y622-A624 VanDerWaalsContact O-N 3.15Å
625	K	35.4	Very low	39.9	Very low	168 Å²	168	114.5 Å²	114.5	73%	0.73	64%	0.64	S	S	*	*	H	α-helix	trans	-79.2	-16.4	174.7	-68.8	-177.6	177.9	177.8	0	114.9	N623	N623-K625 PolarHBondContact O-N 2.85Å
626	S	38.6	Very low	42	Very low	78 Å²	78	116.7 Å²	116.7	55%	0.545	64%	0.638	S	S	.	*	H	α-helix	trans	-77.9	-34.2	173.7	59.4	0	0	0	0	111.8	N623 E628 K629	N623-S626 PolarHBondContact O-N 2.82Å; N623-S626 PolarHBondContact O-OG 2.87Å; N623-S626 VanDerWaalsContact O-OG 3.05Å; S626-E628 PolarHBondContact O-N 2.82Å; S626-K629 PolarHBondContact O-N 3.4Å
627	C	35.6	Very low	44.6	Very low	60 Å²	60	119.6 Å²	119.6	41%	0.405	63%	0.632	S	S	.	*	H	α-helix	trans	-66.7	-32.7	178.8	-73.8	0	0	0	0	113.5	K629 T630 F631	C627-K629 VanDerWaalsContact C-N 3.26Å; C627-K629 PolarHBondContact O-N 3.49Å; C627-T630 PolarHBondContact O-N 2.79Å; C627-T630 PolarHBondContact O-OG1 3.24Å; C627-F631 HydrophobicContact CB-CE2 4.15Å; C627-F631 WeakPolarHBondContact O-CD2 3.49Å
628	E	38.6	Very low	47.1	Very low	144 Å²	144	113.3 Å²	113.3	67%	0.673	59%	0.593	S	S	*	*	H	α-helix	trans	-67.6	-23.6	-178	-77.7	-172.9	156.5	0	0	114	S626	S626-E628 PolarHBondContact O-N 2.82Å
629	K	41.1	Very low	49.5	Very low	177 Å²	177	112.3 Å²	112.3	77%	0.77	57%	0.574	S	S	*	*	H	α-helix	trans	-78.8	-29	-178.5	-74.3	-174.8	177.6	-177.6	0	113.4	S626 C627	S626-K629 PolarHBondContact O-N 3.4Å; C627-K629 VanDerWaalsContact C-N 3.26Å; C627-K629 PolarHBondContact O-N 3.49Å
630	T	44.2	Very low	51.7	Low	46 Å²	46	107.4 Å²	107.4	28%	0.282	56%	0.559	S	S	.	*	H	α-helix	trans	-82.3	-33.2	-179.8	47.6	0	0	0	0	112.6	C627 L632 T633	C627-T630 PolarHBondContact O-N 2.79Å; C627-T630 PolarHBondContact O-OG1 3.24Å; T630-L632 PolarHBondContact O-N 2.79Å; T630-T633 PolarHBondContact O-N 3.49Å; T630-T633 PolarHBondContact O-OG1 2.79Å; T630-T633 VanDerWaalsContact O-OG1 3.1Å
631	F	44.2	Very low	54	Low	76 Å²	76	107.6 Å²	107.6	33%	0.333	54%	0.544	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-7	178.5	-70.5	-67.1	0	0	0	115.2	C627 F642	C627-F631 HydrophobicContact CB-CE2 4.15Å; C627-F631 WeakPolarHBondContact O-CD2 3.49Å; F631-F642 HydrophobicContact CE1-CB 4.31Å
632	L	47	Very low	56.5	Low	140 Å²	140	102.3 Å²	102.3	73%	0.733	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-22.5	178.7	-120.1	79.1	0	0	0	113.7	T630	T630-L632 PolarHBondContact O-N 2.79Å
633	T	58.9	Low	59	Low	115 Å²	115	100.9 Å²	100.9	71%	0.706	50%	0.504	S	S	*	.	S	Bend	trans	-90.2	-12.7	-176.5	57.4	0	0	0	0	113.5	T630	T630-T633 PolarHBondContact O-N 3.49Å; T630-T633 PolarHBondContact O-OG1 2.79Å; T630-T633 VanDerWaalsContact O-OG1 3.1Å
634	H	68.7	Low	61.6	Low	8 Å²	8	103.9 Å²	103.9	4%	0.037	51%	0.508	C	S	.	.	S	Bend	trans	-80.4	141.6	-178.4	-64.6	-40.4	0	0	0	112.7	Q636 F642 L654	H634-Q636 PolarHBondContact O-N 2.79Å; H634-F642 HydrophobicContact CB-CD2 3.75Å; H634-F642 HydrophobicContact CB-CE2 3.59Å; H634-F642 AromaticContact CG-CD2 3.88Å; H634-F642 AromaticContact CG-CE2 3.79Å; H634-L654 WeakPolarHBondContact ND1-CD1 3.38Å
635	P	77	Confident	63.8	Low	45 Å²	45	102.6 Å²	102.6	29%	0.292	49%	0.49	S	S	.	.			trans	-55.3	133.3	177.5	21.2	-32.3	0	0	0	111.2	W637 L638 L654	P635-W637 PolarHBondContact O-N 2.83Å; P635-L638 HydrophobicContact CG-CB 4.23Å; P635-L638 HydrophobicContact CG-CD1 3.8Å; P635-L638 HydrophobicContact CG-CG 4.29Å; P635-L638 PolarHBondContact O-N 3.15Å; P635-L654 HydrophobicContact CG-CD2 4.07Å
636	Q	74.7	Confident	66.2	Low	161 Å²	161	97 Å²	97	75%	0.752	47%	0.472	S	S	*	.	G	3₁₀ helix	trans	-61.4	-32.4	-167.6	-65.3	-175.3	8.3	0	0	113.4	H634 L638 K639	H634-Q636 PolarHBondContact O-N 2.79Å; Q636-L638 VanDerWaalsContact C-N 3.29Å; Q636-L638 PolarHBondContact O-N 3.29Å; Q636-K639 WeakPolarHBondContact O-CB 3.46Å; Q636-K639 WeakPolarHBondContact O-CG 3.37Å; Q636-K639 PolarHBondContact O-N 3.25Å
637	W	82.3	Confident	68.2	Low	175 Å²	175	96 Å²	96	66%	0.663	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-71.4	-22.1	179.9	65.2	-93.5	0	0	0	113.2	P635 P640	P635-W637 PolarHBondContact O-N 2.83Å; W637-P640 WeakPolarHBondContact O-CD 3.4Å
638	L	84	Confident	70.6	Confident	10 Å²	10	96.5 Å²	96.5	5%	0.052	47%	0.467	C	S	.	.	G	3₁₀ helix	trans	-88.9	-8.9	174.7	-75.5	177	0	0	0	113.7	P635 Q636 P640 F641 F642 F653 L654 L657	P635-L638 HydrophobicContact CG-CB 4.23Å; P635-L638 HydrophobicContact CG-CD1 3.8Å; P635-L638 HydrophobicContact CG-CG 4.29Å; P635-L638 PolarHBondContact O-N 3.15Å; Q636-L638 VanDerWaalsContact C-N 3.29Å; Q636-L638 PolarHBondContact O-N 3.29Å; L638-P640 VanDerWaalsContact C-CD 3.41Å; L638-P640 VanDerWaalsContact C-N 3.33Å; L638-F641 HydrophobicContact CD2-CD2 4.04Å; L638-F641 WeakPolarHBondContact O-CA 3.35Å; L638-F641 WeakPolarHBondContact O-CB 3.41Å; L638-F641 PolarHBondContact O-N 3.43Å; L638-F642 HydrophobicContact CB-CD2 3.87Å; L638-F642 HydrophobicContact CB-CE2 3.33Å; L638-F642 HydrophobicContact CB-CZ 3.83Å; L638-F642 HydrophobicContact CD1-CE2 4.1Å; L638-F642 HydrophobicContact CD1-CZ 3.82Å; L638-F642 HydrophobicContact CG-CE2 4.33Å; L638-F642 HydrophobicContact CG-CZ 4.41Å; L638-F642 WeakPolarHBondContact O-CD2 3.04Å; L638-F642 PolarHBondContact O-N 3.42Å; L638-F653 HydrophobicContact CD1-CE1 3.89Å; L638-F653 HydrophobicContact CD2-CE1 4.46Å; L638-L654 HydrophobicContact CD1-CD2 4.18Å; L638-L657 HydrophobicContact CD1-CD1 4.25Å
639	K	78.8	Confident	72.8	Confident	90 Å²	90	91.6 Å²	91.6	39%	0.391	44%	0.444	S	S	.	.	H	α-helix	trans	-53.4	-38.4	-179.1	-71.7	-176.9	175.6	-173.4	0	114.7	Q636 F641	Q636-K639 WeakPolarHBondContact O-CB 3.46Å; Q636-K639 WeakPolarHBondContact O-CG 3.37Å; Q636-K639 PolarHBondContact O-N 3.25Å; K639-F641 VanDerWaalsContact C-N 3.26Å; K639-F641 PolarHBondContact O-N 3.5Å
640	P	77.8	Confident	74.9	Confident	87 Å²	87	83.2 Å²	83.2	57%	0.565	41%	0.407	S	S	*	.	H	α-helix	trans	-62.3	-32.4	174.7	-23.4	35.1	0	0	0	113.5	W637 L638	W637-P640 WeakPolarHBondContact O-CD 3.4Å; L638-P640 VanDerWaalsContact C-CD 3.41Å; L638-P640 VanDerWaalsContact C-N 3.33Å
641	F	78.2	Confident	76.9	Confident	130 Å²	130	85.6 Å²	85.6	57%	0.57	42%	0.415	S	S	*	.	H	α-helix	trans	-80.4	-39.6	-177.8	-64.9	-84.4	0	0	0	112.1	L638 K639 R643 Y644	L638-F641 HydrophobicContact CD2-CD2 4.04Å; L638-F641 WeakPolarHBondContact O-CA 3.35Å; L638-F641 WeakPolarHBondContact O-CB 3.41Å; L638-F641 PolarHBondContact O-N 3.43Å; K639-F641 VanDerWaalsContact C-N 3.26Å; K639-F641 PolarHBondContact O-N 3.5Å; F641-R643 PolarHBondContact O-N 2.77Å; F641-Y644 PolarHBondContact O-N 3.36Å
642	F	85.6	Confident	79	Confident	2 Å²	2	85.5 Å²	85.5	1%	0.009	42%	0.421	C	S	.	.	H	α-helix	trans	-64.5	-10.8	177.7	-66.6	-45.2	0	0	0	114.2	F631 H634 L638 Y644 L645 A650 F653 L654	F631-F642 HydrophobicContact CE1-CB 4.31Å; H634-F642 HydrophobicContact CB-CD2 3.75Å; H634-F642 HydrophobicContact CB-CE2 3.59Å; H634-F642 AromaticContact CG-CD2 3.88Å; H634-F642 AromaticContact CG-CE2 3.79Å; L638-F642 HydrophobicContact CB-CD2 3.87Å; L638-F642 HydrophobicContact CB-CE2 3.33Å; L638-F642 HydrophobicContact CB-CZ 3.83Å; L638-F642 HydrophobicContact CD1-CE2 4.1Å; L638-F642 HydrophobicContact CD1-CZ 3.82Å; L638-F642 HydrophobicContact CG-CE2 4.33Å; L638-F642 HydrophobicContact CG-CZ 4.41Å; L638-F642 WeakPolarHBondContact O-CD2 3.04Å; L638-F642 PolarHBondContact O-N 3.42Å; F642-Y644 PolarHBondContact O-N 3.42Å; F642-L645 HydrophobicContact CD1-CD1 3.89Å; F642-L645 HydrophobicContact CE1-CD1 4.25Å; F642-L645 PolarHBondContact O-N 2.75Å; F642-A650 HydrophobicContact CD1-CB 3.43Å; F642-A650 VanDerWaalsContact CD1-CB 3.43Å; F642-A650 HydrophobicContact CE1-CB 3.74Å; F642-A650 HydrophobicContact CG-CB 4.13Å; F642-F653 AromaticContact CE1-CD1 3.88Å; F642-F653 HydrophobicContact CE1-CD1 3.88Å; F642-F653 HydrophobicContact CZ-CD1 4.14Å; F642-L654 HydrophobicContact CZ-CD1 4.19Å; F642-L654 HydrophobicContact CZ-CD2 3.95Å; F642-L654 HydrophobicContact CZ-CG 3.91Å
643	R	80.6	Confident	81.1	Confident	206 Å²	206	83.2 Å²	83.2	78%	0.777	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-24.7	170	-175.6	175.5	177.1	-178.6	0.3	112.9	F641	F641-R643 PolarHBondContact O-N 2.77Å
644	Y	84.9	Confident	82.4	Confident	182 Å²	182	79.9 Å²	79.9	71%	0.714	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	-1.6	-176.2	-56.7	-77.8	0	0	0	113.6	F641 F642	F641-Y644 PolarHBondContact O-N 3.36Å; F642-Y644 PolarHBondContact O-N 3.42Å
645	L	82.8	Confident	83.4	Confident	54 Å²	54	86.7 Å²	86.7	28%	0.283	41%	0.413	S	S	.	.	S	Bend	trans	-114.4	146.6	-178.5	-66.4	167.9	0	0	0	109.7	F642 E649 A650	F642-L645 HydrophobicContact CD1-CD1 3.89Å; F642-L645 HydrophobicContact CE1-CD1 4.25Å; F642-L645 PolarHBondContact O-N 2.75Å; L645-E649 HydrophobicContact CB-CB 4.11Å; L645-E649 HydrophobicContact CD2-CB 4.03Å; L645-A650 HydrophobicContact CB-CB 4.45Å
646	S	85.7	Confident	84	Confident	50 Å²	50	89.4 Å²	89.4	35%	0.35	43%	0.425	S	S	.	.			trans	-65	161.7	164.7	63.5	0	0	0	0	110.6	S648 E649 A650	S646-S648 VanDerWaalsContact C-N 3.28Å; S646-S648 PolarHBondContact O-N 3.07Å; S646-S648 PolarHBondContact OG-OG 3.27Å; S646-E649 WeakPolarHBondContact CB-OE2 3.39Å; S646-E649 PolarHBondContact N-OE2 3.22Å; S646-E649 PolarHBondContact O-N 2.99Å; S646-E649 WeakPolarHBondContact OG-CB 3.34Å; S646-E649 WeakPolarHBondContact OG-CG 3.32Å; S646-E649 PolarHBondContact OG-N 2.89Å; S646-E649 PolarHBondContact OG-OE2 3.24Å; S646-A650 WeakPolarHBondContact O-CB 3.24Å; S646-A650 PolarHBondContact O-N 2.84Å
647	T	82.6	Confident	84.6	Confident	57 Å²	57	84.8 Å²	84.8	35%	0.35	41%	0.405	S	S	.	.	H	α-helix	trans	-60.5	-38.9	179.1	51.6	0	0	0	0	112.1	A650 E651	T647-A650 PolarHBondContact O-N 3.06Å; T647-E651 WeakPolarHBondContact O-CG 3.2Å; T647-E651 PolarHBondContact O-N 3.01Å
648	S	84.1	Confident	84.9	Confident	71 Å²	71	80.8 Å²	80.8	50%	0.497	39%	0.394	S	S	.	.	H	α-helix	trans	-66.3	-40.9	175.1	46.2	0	0	0	0	112.3	S646 E651 T652	S646-S648 VanDerWaalsContact C-N 3.28Å; S646-S648 PolarHBondContact O-N 3.07Å; S646-S648 PolarHBondContact OG-OG 3.27Å; S648-E651 PolarHBondContact O-N 2.92Å; S648-T652 WeakPolarHBondContact O-CG2 3.45Å; S648-T652 PolarHBondContact O-N 3.05Å; S648-T652 PolarHBondContact O-OG1 3.24Å
649	E	85.8	Confident	85.2	Confident	41 Å²	41	88 Å²	88	19%	0.192	42%	0.42	C	S	.	.	H	α-helix	trans	-68.2	-36.1	176.2	-72.8	164.9	151.7	0	0	112.3	L645 S646 T652 F653	L645-E649 HydrophobicContact CB-CB 4.11Å; L645-E649 HydrophobicContact CD2-CB 4.03Å; S646-E649 WeakPolarHBondContact CB-OE2 3.39Å; S646-E649 PolarHBondContact N-OE2 3.22Å; S646-E649 PolarHBondContact O-N 2.99Å; S646-E649 WeakPolarHBondContact OG-CB 3.34Å; S646-E649 WeakPolarHBondContact OG-CG 3.32Å; S646-E649 PolarHBondContact OG-N 2.89Å; S646-E649 PolarHBondContact OG-OE2 3.24Å; E649-T652 WeakPolarHBondContact CA-OG1 3.41Å; E649-T652 PolarHBondContact O-OG1 3.32Å; E649-F653 WeakPolarHBondContact O-CB 3.25Å; E649-F653 PolarHBondContact O-N 3.42Å
650	A	85.8	Confident	85.6	Confident	1 Å²	1	88.4 Å²	88.4	1%	0.008	42%	0.423	C	S	.	.	H	α-helix	trans	-65	-40.8	174.5	0	0	0	0	0	111.5	F642 L645 S646 T647 L654	F642-A650 HydrophobicContact CD1-CB 3.43Å; F642-A650 VanDerWaalsContact CD1-CB 3.43Å; F642-A650 HydrophobicContact CE1-CB 3.74Å; F642-A650 HydrophobicContact CG-CB 4.13Å; L645-A650 HydrophobicContact CB-CB 4.45Å; S646-A650 WeakPolarHBondContact O-CB 3.24Å; S646-A650 PolarHBondContact O-N 2.84Å; T647-A650 PolarHBondContact O-N 3.06Å; A650-L654 WeakPolarHBondContact O-CG 3.4Å; A650-L654 PolarHBondContact O-N 3.04Å
651	E	85.9	Confident	86.1	Confident	96 Å²	96	90.4 Å²	90.4	45%	0.449	42%	0.42	S	S	.	.	H	α-helix	trans	-68.2	-42.8	175.5	-75.2	177.5	-172.5	0	0	112.7	T647 S648 F653 L654 K655	T647-E651 WeakPolarHBondContact O-CG 3.2Å; T647-E651 PolarHBondContact O-N 3.01Å; S648-E651 PolarHBondContact O-N 2.92Å; E651-F653 VanDerWaalsContact C-N 3.34Å; E651-L654 PolarHBondContact O-N 3.48Å; E651-K655 WeakPolarHBondContact O-CG 3.17Å; E651-K655 PolarHBondContact O-N 3.3Å
652	T	87.8	Confident	86.7	Confident	75 Å²	75	87.8 Å²	87.8	46%	0.46	41%	0.411	S	S	.	.	H	α-helix	trans	-65	-39	175.1	56	0	0	0	0	111.5	S648 E649 L654 K655 N656	S648-T652 WeakPolarHBondContact O-CG2 3.45Å; S648-T652 PolarHBondContact O-N 3.05Å; S648-T652 PolarHBondContact O-OG1 3.24Å; E649-T652 WeakPolarHBondContact CA-OG1 3.41Å; E649-T652 PolarHBondContact O-OG1 3.32Å; T652-L654 PolarHBondContact O-N 3.01Å; T652-K655 PolarHBondContact O-N 2.91Å; T652-N656 WeakPolarHBondContact O-CB 3.38Å; T652-N656 VanDerWaalsContact O-CG 3.29Å; T652-N656 PolarHBondContact O-N 3.42Å
653	F	90.6	Very high	86.9	Confident	91 Å²	91	91 Å²	91	40%	0.399	43%	0.427	S	S	.	.	H	α-helix	trans	-59	-45.5	173.6	179.3	-96	0	0	0	111.9	L638 F642 E649 E651 N656 L657	L638-F653 HydrophobicContact CD1-CE1 3.89Å; L638-F653 HydrophobicContact CD2-CE1 4.46Å; F642-F653 AromaticContact CE1-CD1 3.88Å; F642-F653 HydrophobicContact CE1-CD1 3.88Å; F642-F653 HydrophobicContact CZ-CD1 4.14Å; E649-F653 WeakPolarHBondContact O-CB 3.25Å; E649-F653 PolarHBondContact O-N 3.42Å; E651-F653 VanDerWaalsContact C-N 3.34Å; F653-N656 PolarHBondContact O-N 3.06Å; F653-L657 HydrophobicContact CE1-CD1 3.99Å; F653-L657 HydrophobicContact CZ-CD1 4.42Å; F653-L657 WeakPolarHBondContact O-CB 3.16Å; F653-L657 PolarHBondContact O-N 2.83Å
654	L	87.5	Confident	87.1	Confident	46 Å²	46	88.6 Å²	88.6	24%	0.241	42%	0.419	C	S	.	.	H	α-helix	trans	-66.4	-38.6	177.1	-74	177.2	0	0	0	113	H634 P635 L638 F642 A650 E651 T652 N656 L657 E658	H634-L654 WeakPolarHBondContact ND1-CD1 3.38Å; P635-L654 HydrophobicContact CG-CD2 4.07Å; L638-L654 HydrophobicContact CD1-CD2 4.18Å; F642-L654 HydrophobicContact CZ-CD1 4.19Å; F642-L654 HydrophobicContact CZ-CD2 3.95Å; F642-L654 HydrophobicContact CZ-CG 3.91Å; A650-L654 WeakPolarHBondContact O-CG 3.4Å; A650-L654 PolarHBondContact O-N 3.04Å; E651-L654 PolarHBondContact O-N 3.48Å; T652-L654 PolarHBondContact O-N 3.01Å; L654-N656 VanDerWaalsContact C-N 3.31Å; L654-N656 PolarHBondContact O-N 3.21Å; L654-L657 PolarHBondContact O-N 2.68Å; L654-E658 PolarHBondContact O-N 3.42Å
655	K	89	Confident	87.2	Confident	150 Å²	150	83.6 Å²	83.6	65%	0.652	40%	0.403	S	S	*	.	H	α-helix	trans	-61.2	-40.2	172.5	-74.9	-179.9	179.4	179.4	0	111.9	E651 T652 E658 R659	E651-K655 WeakPolarHBondContact O-CG 3.17Å; E651-K655 PolarHBondContact O-N 3.3Å; T652-K655 PolarHBondContact O-N 2.91Å; K655-E658 PolarHBondContact O-N 3.04Å; K655-R659 WeakPolarHBondContact O-CB 3.27Å; K655-R659 PolarHBondContact O-N 3.35Å
656	N	89.4	Confident	87.5	Confident	103 Å²	103	85.4 Å²	85.4	55%	0.551	41%	0.41	S	S	*	.	H	α-helix	trans	-68	-39.3	177	-72.5	-12.7	0	0	0	112.2	T652 F653 L654 R659 E660	T652-N656 WeakPolarHBondContact O-CB 3.38Å; T652-N656 VanDerWaalsContact O-CG 3.29Å; T652-N656 PolarHBondContact O-N 3.42Å; F653-N656 PolarHBondContact O-N 3.06Å; L654-N656 VanDerWaalsContact C-N 3.31Å; L654-N656 PolarHBondContact O-N 3.21Å; N656-R659 PolarHBondContact O-N 2.81Å; N656-E660 WeakPolarHBondContact O-CB 3.46Å; N656-E660 PolarHBondContact O-N 2.59Å
657	L	87.5	Confident	87.5	Confident	64 Å²	64	88 Å²	88	34%	0.335	42%	0.42	S	S	.	.	H	α-helix	trans	-63.9	-43.6	176.1	-157.4	169.9	0	0	0	110.7	L638 F653 L654 E660 R661	L638-L657 HydrophobicContact CD1-CD1 4.25Å; F653-L657 HydrophobicContact CE1-CD1 3.99Å; F653-L657 HydrophobicContact CZ-CD1 4.42Å; F653-L657 WeakPolarHBondContact O-CB 3.16Å; F653-L657 PolarHBondContact O-N 2.83Å; L654-L657 PolarHBondContact O-N 2.68Å; L657-E660 PolarHBondContact O-N 3.21Å; L657-R661 PolarHBondContact O-N 3.16Å
658	E	88	Confident	87.5	Confident	90 Å²	90	87.6 Å²	87.6	42%	0.421	42%	0.419	S	S	.	.	H	α-helix	trans	-65.2	-40.3	174.9	-170.3	59.7	-159.8	0	0	111.8	L654 K655 E660 R661 I662	L654-E658 PolarHBondContact O-N 3.42Å; K655-E658 PolarHBondContact O-N 3.04Å; E658-E660 PolarHBondContact O-N 3Å; E658-R661 WeakPolarHBondContact O-CB 3.4Å; E658-R661 PolarHBondContact O-N 3.08Å; E658-I662 HydrophobicContact CG-CD1 4.23Å; E658-I662 WeakPolarHBondContact O-CG1 3.43Å; E658-I662 PolarHBondContact O-N 2.81Å
659	R	90.1	Very high	87.5	Confident	163 Å²	163	89.2 Å²	89.2	62%	0.615	42%	0.419	S	S	*	.	H	α-helix	trans	-60.3	-44.4	173.7	-174.9	176.3	-176.1	-99.1	-1.2	111.8	K655 N656 R661 I662 L663	K655-R659 WeakPolarHBondContact O-CB 3.27Å; K655-R659 PolarHBondContact O-N 3.35Å; N656-R659 PolarHBondContact O-N 2.81Å; R659-R661 VanDerWaalsContact C-N 3.31Å; R659-R661 PolarHBondContact O-N 2.94Å; R659-I662 PolarHBondContact O-N 3.44Å; R659-L663 HydrophobicContact CG-CD1 4.18Å; R659-L663 VanDerWaalsContact O-CG 3.28Å; R659-L663 WeakPolarHBondContact O-CG 3.23Å; R659-L663 PolarHBondContact O-N 3.48Å
660	E	88.9	Confident	87.4	Confident	97 Å²	97	92.5 Å²	92.5	45%	0.453	44%	0.437	S	S	.	.	H	α-helix	trans	-62.3	-40.5	176.5	-166.3	-168.1	151.5	0	0	111.4	N656 L657 E658 L663 R664	N656-E660 WeakPolarHBondContact O-CB 3.46Å; N656-E660 PolarHBondContact O-N 2.59Å; L657-E660 PolarHBondContact O-N 3.21Å; E658-E660 PolarHBondContact O-N 3Å; E660-L663 PolarHBondContact O-N 2.76Å; E660-R664 VanDerWaalsContact O-CG 3.3Å; E660-R664 WeakPolarHBondContact O-CG 3.18Å; E660-R664 PolarHBondContact O-N 3.5Å; E660-R664 IonicContact OE1-CZ 2.92Å; E660-R664 VanDerWaalsContact OE1-CZ 3.28Å; E660-R664 IonicContact OE1-NE 3.67Å; E660-R664 PolarHBondContact OE1-NE 2.89Å; E660-R664 IonicContact OE1-NH2 3.9Å; E660-R664 PolarHBondContact OE1-NH2 2.89Å
661	R	88.2	Confident	87.3	Confident	130 Å²	130	96.2 Å²	96.2	49%	0.491	46%	0.456	S	S	.	.	H	α-helix	trans	-60	-48.1	174.9	-176	-171.9	-178.4	174.6	2.5	111.8	L657 E658 R659 R664 I665	L657-R661 PolarHBondContact O-N 3.16Å; E658-R661 WeakPolarHBondContact O-CB 3.4Å; E658-R661 PolarHBondContact O-N 3.08Å; R659-R661 VanDerWaalsContact C-N 3.31Å; R659-R661 PolarHBondContact O-N 2.94Å; R661-R664 PolarHBondContact O-N 3.31Å; R661-I665 HydrophobicContact CG-CD1 4.32Å; R661-I665 WeakPolarHBondContact O-CG1 3.37Å; R661-I665 PolarHBondContact O-N 2.77Å; R661-I665 VanDerWaalsContact O-N 3.16Å
662	I	90.4	Very high	87	Confident	75 Å²	75	96.2 Å²	96.2	39%	0.385	46%	0.456	S	S	.	.	H	α-helix	trans	-60.9	-48.1	178.3	-67.6	166	0	0	0	110.2	E658 R659 R664 I665 E666	E658-I662 HydrophobicContact CG-CD1 4.23Å; E658-I662 WeakPolarHBondContact O-CG1 3.43Å; E658-I662 PolarHBondContact O-N 2.81Å; R659-I662 PolarHBondContact O-N 3.44Å; I662-R664 VanDerWaalsContact C-N 3.28Å; I662-R664 PolarHBondContact O-N 3.13Å; I662-I665 WeakPolarHBondContact O-CB 3.32Å; I662-I665 PolarHBondContact O-N 2.81Å; I662-E666 HydrophobicContact CG2-CG 4.31Å; I662-E666 WeakPolarHBondContact CG2-OE1 3.35Å; I662-E666 PolarHBondContact O-N 2.89Å
663	L	88.9	Confident	86.6	Confident	68 Å²	68	97.8 Å²	97.8	36%	0.356	46%	0.461	S	S	.	.	H	α-helix	trans	-59.6	-37.1	178.6	-71.2	172.1	0	0	0	112.5	R659 E660 I665 E666 L667	R659-L663 HydrophobicContact CG-CD1 4.18Å; R659-L663 VanDerWaalsContact O-CG 3.28Å; R659-L663 WeakPolarHBondContact O-CG 3.23Å; R659-L663 PolarHBondContact O-N 3.48Å; E660-L663 PolarHBondContact O-N 2.76Å; L663-I665 VanDerWaalsContact C-N 3.35Å; L663-E666 PolarHBondContact O-N 3.16Å; L663-L667 VanDerWaalsContact O-CB 3.31Å; L663-L667 WeakPolarHBondContact O-CB 3.36Å; L663-L667 PolarHBondContact O-N 3.47Å
664	R	86.1	Confident	86	Confident	157 Å²	157	102 Å²	102	59%	0.592	48%	0.476	S	S	*	.	H	α-helix	trans	-65.2	-37.6	175.1	-74.8	170.9	179.6	-95	2	112.2	E660 R661 I662 S668	E660-R664 VanDerWaalsContact O-CG 3.3Å; E660-R664 WeakPolarHBondContact O-CG 3.18Å; E660-R664 PolarHBondContact O-N 3.5Å; E660-R664 IonicContact OE1-CZ 2.92Å; E660-R664 VanDerWaalsContact OE1-CZ 3.28Å; E660-R664 IonicContact OE1-NE 3.67Å; E660-R664 PolarHBondContact OE1-NE 2.89Å; E660-R664 IonicContact OE1-NH2 3.9Å; E660-R664 PolarHBondContact OE1-NH2 2.89Å; R661-R664 PolarHBondContact O-N 3.31Å; I662-R664 VanDerWaalsContact C-N 3.28Å; I662-R664 PolarHBondContact O-N 3.13Å; R664-S668 WeakPolarHBondContact O-CB 3.45Å; R664-S668 PolarHBondContact O-N 3.03Å; R664-S668 PolarHBondContact O-OG 3.16Å
665	I	85.5	Confident	85.4	Confident	77 Å²	77	102.1 Å²	102.1	40%	0.395	48%	0.48	S	S	.	.	H	α-helix	trans	-68.5	-47.7	176.3	-65.9	165.8	0	0	0	109.9	R661 I662 L663 S668 Q669	R661-I665 HydrophobicContact CG-CD1 4.32Å; R661-I665 WeakPolarHBondContact O-CG1 3.37Å; R661-I665 PolarHBondContact O-N 2.77Å; R661-I665 VanDerWaalsContact O-N 3.16Å; I662-I665 WeakPolarHBondContact O-CB 3.32Å; I662-I665 PolarHBondContact O-N 2.81Å; L663-I665 VanDerWaalsContact C-N 3.35Å; I665-S668 WeakPolarHBondContact O-CB 3.37Å; I665-S668 PolarHBondContact O-N 3.11Å; I665-S668 VanDerWaalsContact O-N 3.14Å; I665-Q669 WeakPolarHBondContact O-CG 3.48Å; I665-Q669 PolarHBondContact O-N 2.91Å
666	E	89	Confident	84.2	Confident	92 Å²	92	96.2 Å²	96.2	43%	0.43	46%	0.462	S	S	.	.	H	α-helix	trans	-60.9	-45.5	177.9	-71.1	175.2	176.1	0	0	111.8	I662 L663 S668 Q669 L670	I662-E666 HydrophobicContact CG2-CG 4.31Å; I662-E666 WeakPolarHBondContact CG2-OE1 3.35Å; I662-E666 PolarHBondContact O-N 2.89Å; L663-E666 PolarHBondContact O-N 3.16Å; E666-S668 VanDerWaalsContact C-N 3.3Å; E666-S668 PolarHBondContact O-N 2.9Å; E666-Q669 PolarHBondContact O-N 3.26Å; E666-L670 WeakPolarHBondContact O-CB 3.48Å; E666-L670 WeakPolarHBondContact O-CG 3.41Å; E666-L670 PolarHBondContact O-N 3.08Å
667	L	86.6	Confident	82.5	Confident	105 Å²	105	98.3 Å²	98.3	55%	0.55	47%	0.466	S	S	.	.	H	α-helix	trans	-59.9	-40.9	173.5	-94.9	161.7	0	0	0	111.9	L663 Q669 L670 I671	L663-L667 VanDerWaalsContact O-CB 3.31Å; L663-L667 WeakPolarHBondContact O-CB 3.36Å; L663-L667 PolarHBondContact O-N 3.47Å; L667-Q669 VanDerWaalsContact C-N 3.34Å; L667-L670 PolarHBondContact O-N 3.12Å; L667-I671 WeakPolarHBondContact O-CB 3.33Å; L667-I671 WeakPolarHBondContact O-CD1 3.45Å; L667-I671 WeakPolarHBondContact O-CG1 3.38Å; L667-I671 PolarHBondContact O-N 2.78Å
668	S	82.2	Confident	81	Confident	47 Å²	47	98.5 Å²	98.5	33%	0.329	47%	0.473	S	S	.	.	H	α-helix	trans	-65.1	-40	177.6	-59.4	0	0	0	0	111.6	R664 I665 E666 I671 Q672	R664-S668 WeakPolarHBondContact O-CB 3.45Å; R664-S668 PolarHBondContact O-N 3.03Å; R664-S668 PolarHBondContact O-OG 3.16Å; I665-S668 WeakPolarHBondContact O-CB 3.37Å; I665-S668 PolarHBondContact O-N 3.11Å; I665-S668 VanDerWaalsContact O-N 3.14Å; E666-S668 VanDerWaalsContact C-N 3.3Å; E666-S668 PolarHBondContact O-N 2.9Å; S668-I671 PolarHBondContact O-N 2.64Å; S668-Q672 WeakPolarHBondContact O-CG 3.36Å; S668-Q672 PolarHBondContact O-N 3.12Å
669	Q	83.6	Confident	78.8	Confident	106 Å²	106	100.5 Å²	100.5	50%	0.495	48%	0.484	S	S	.	.	H	α-helix	trans	-64.6	-46.8	174	-73.8	174.2	-9.4	0	0	111.3	I665 E666 L667 I671 Q672 D673	I665-Q669 WeakPolarHBondContact O-CG 3.48Å; I665-Q669 PolarHBondContact O-N 2.91Å; E666-Q669 PolarHBondContact O-N 3.26Å; L667-Q669 VanDerWaalsContact C-N 3.34Å; Q669-I671 VanDerWaalsContact C-N 3.31Å; Q669-I671 PolarHBondContact O-N 3.14Å; Q669-Q672 CarbonylContact O-C 3.57Å; Q669-Q672 WeakPolarHBondContact O-CB 3.5Å; Q669-Q672 PolarHBondContact O-N 3.18Å; Q669-Q672 VanDerWaalsContact O-N 3.13Å; Q669-D673 WeakPolarHBondContact O-CB 3.27Å; Q669-D673 PolarHBondContact O-N 3.25Å
670	L	84.4	Confident	76.8	Confident	110 Å²	110	100.3 Å²	100.3	58%	0.576	49%	0.488	S	S	*	.	H	α-helix	trans	-61.3	-38	177.2	-73.9	171.2	0	0	0	112.5	E666 L667 D673 Y674	E666-L670 WeakPolarHBondContact O-CB 3.48Å; E666-L670 WeakPolarHBondContact O-CG 3.41Å; E666-L670 PolarHBondContact O-N 3.08Å; L667-L670 PolarHBondContact O-N 3.12Å; L670-D673 PolarHBondContact O-N 3.06Å; L670-Y674 VanDerWaalsContact O-CB 3.23Å; L670-Y674 WeakPolarHBondContact O-CB 3.31Å; L670-Y674 PolarHBondContact O-N 3.44Å
671	I	83.5	Confident	75	Confident	78 Å²	78	98.8 Å²	98.8	40%	0.4	49%	0.485	S	S	.	.	H	α-helix	trans	-66.6	-43.6	174.6	-69.5	164	0	0	0	110.4	L582 L667 S668 Q669 Y674 C675	L582-I671 HydrophobicContact CD2-CG2 3.92Å; L667-I671 WeakPolarHBondContact O-CB 3.33Å; L667-I671 WeakPolarHBondContact O-CD1 3.45Å; L667-I671 WeakPolarHBondContact O-CG1 3.38Å; L667-I671 PolarHBondContact O-N 2.78Å; S668-I671 PolarHBondContact O-N 2.64Å; Q669-I671 VanDerWaalsContact C-N 3.31Å; Q669-I671 PolarHBondContact O-N 3.14Å; I671-Y674 PolarHBondContact O-N 3.38Å; I671-C675 WeakPolarHBondContact O-CB 3.35Å; I671-C675 PolarHBondContact O-N 2.85Å; I671-C675 PolarHBondContact O-SG 3.47Å
672	Q	79.9	Confident	72.9	Confident	97 Å²	97	95 Å²	95	45%	0.453	48%	0.482	S	S	.	.	H	α-helix	trans	-63.2	-41.2	175.2	-76.3	178.4	0.8	0	0	112.1	S668 Q669 C675 G676	S668-Q672 WeakPolarHBondContact O-CG 3.36Å; S668-Q672 PolarHBondContact O-N 3.12Å; Q669-Q672 CarbonylContact O-C 3.57Å; Q669-Q672 WeakPolarHBondContact O-CB 3.5Å; Q669-Q672 PolarHBondContact O-N 3.18Å; Q669-Q672 VanDerWaalsContact O-N 3.13Å; Q672-C675 PolarHBondContact O-N 2.93Å; Q672-G676 WeakPolarHBondContact O-CA 3.34Å; Q672-G676 PolarHBondContact O-N 3Å
673	D	79.9	Confident	70.6	Confident	107 Å²	107	95.9 Å²	95.9	57%	0.572	49%	0.49	S	S	*	.	H	α-helix	trans	-66.9	-40.6	176.6	-74.5	-20	0	0	0	110.8	Q669 L670 G676 F677	Q669-D673 WeakPolarHBondContact O-CB 3.27Å; Q669-D673 PolarHBondContact O-N 3.25Å; L670-D673 PolarHBondContact O-N 3.06Å; D673-G676 CarbonylContact O-C 3.59Å; D673-G676 PolarHBondContact O-N 2.95Å; D673-F677 VanDerWaalsContact O-CB 3.3Å; D673-F677 WeakPolarHBondContact O-CB 3.25Å; D673-F677 PolarHBondContact O-N 3.07Å
674	Y	78.4	Confident	68.3	Low	181 Å²	181	95.2 Å²	95.2	71%	0.71	49%	0.494	S	S	*	.	H	α-helix	trans	-65.1	-45.1	175.3	-174.4	-97.9	0	0	0	111.8	L670 I671 G676 F677 S678	L670-Y674 VanDerWaalsContact O-CB 3.23Å; L670-Y674 WeakPolarHBondContact O-CB 3.31Å; L670-Y674 PolarHBondContact O-N 3.44Å; I671-Y674 PolarHBondContact O-N 3.38Å; Y674-G676 VanDerWaalsContact C-N 3.31Å; Y674-G676 PolarHBondContact O-N 3.1Å; Y674-F677 PolarHBondContact O-N 3.22Å; Y674-S678 VanDerWaalsContact O-CB 3.3Å; Y674-S678 WeakPolarHBondContact O-CB 3.32Å; Y674-S678 PolarHBondContact O-N 3.32Å
675	C	74.9	Confident	66	Low	47 Å²	47	93.3 Å²	93.3	32%	0.318	50%	0.496	S	S	.	.	H	α-helix	trans	-64	-37.4	172.7	-69.1	0	0	0	0	111.7	I671 Q672 M679	I671-C675 WeakPolarHBondContact O-CB 3.35Å; I671-C675 PolarHBondContact O-N 2.85Å; I671-C675 PolarHBondContact O-SG 3.47Å; Q672-C675 PolarHBondContact O-N 2.93Å; C675-M679 WeakPolarHBondContact O-CG 3.48Å; C675-M679 PolarHBondContact O-N 2.79Å
676	G	63.5	Low	63.6	Low	26 Å²	26	94.3 Å²	94.3	27%	0.268	51%	0.509	S	S	.	.	H	α-helix	trans	-70	-36.5	176.5	0	0	0	0	0	113	Q672 D673 Y674 M679 K680	Q672-G676 WeakPolarHBondContact O-CA 3.34Å; Q672-G676 PolarHBondContact O-N 3Å; D673-G676 CarbonylContact O-C 3.59Å; D673-G676 PolarHBondContact O-N 2.95Å; Y674-G676 VanDerWaalsContact C-N 3.31Å; Y674-G676 PolarHBondContact O-N 3.1Å; G676-M679 PolarHBondContact O-N 3.47Å; G676-K680 WeakPolarHBondContact O-CB 3.28Å; G676-K680 WeakPolarHBondContact O-CG 3.28Å; G676-K680 PolarHBondContact O-N 2.83Å
677	F	54.2	Low	61.1	Low	147 Å²	147	95.4 Å²	95.4	65%	0.645	52%	0.521	S	S	*	.	H	α-helix	trans	-69.8	-45	174.3	-129.2	-88.4	0	0	0	110.2	D673 Y674 M679 K680 T681	D673-F677 VanDerWaalsContact O-CB 3.3Å; D673-F677 WeakPolarHBondContact O-CB 3.25Å; D673-F677 PolarHBondContact O-N 3.07Å; Y674-F677 PolarHBondContact O-N 3.22Å; F677-M679 VanDerWaalsContact C-N 3.26Å; F677-M679 PolarHBondContact O-N 3.08Å; F677-K680 PolarHBondContact O-N 2.78Å; F677-T681 HydrophobicContact CD1-CG2 4.28Å; F677-T681 PolarHBondContact O-N 2.79Å; F677-T681 PolarHBondContact O-OG1 2.76Å
678	S	55	Low	58.5	Low	69 Å²	69	96.4 Å²	96.4	48%	0.483	53%	0.532	S	S	.	.	H	α-helix	trans	-57.7	-38.1	174.5	175.7	0	0	0	0	112.1	Y674 T681 A682	Y674-S678 VanDerWaalsContact O-CB 3.3Å; Y674-S678 WeakPolarHBondContact O-CB 3.32Å; Y674-S678 PolarHBondContact O-N 3.32Å; S678-T681 PolarHBondContact O-OG1 3.22Å; S678-A682 WeakPolarHBondContact O-CB 3.37Å; S678-A682 PolarHBondContact O-N 3.46Å
679	M	42.8	Very low	56	Low	132 Å²	132	104.2 Å²	104.2	65%	0.65	55%	0.554	S	S	*	*	H	α-helix	trans	-73.5	-36.5	172.6	-71.3	-154.3	-60.3	0	0	113.2	C675 G676 F677 V683	C675-M679 WeakPolarHBondContact O-CG 3.48Å; C675-M679 PolarHBondContact O-N 2.79Å; G676-M679 PolarHBondContact O-N 3.47Å; F677-M679 VanDerWaalsContact C-N 3.26Å; F677-M679 PolarHBondContact O-N 3.08Å; M679-V683 WeakPolarHBondContact O-CB 3.37Å; M679-V683 WeakPolarHBondContact O-CG2 3.17Å; M679-V683 PolarHBondContact O-N 3.16Å
680	K	46.9	Very low	53.4	Low	159 Å²	159	107.7 Å²	107.7	69%	0.691	57%	0.57	S	S	*	*	H	α-helix	trans	-70.3	-38.2	177.6	-78.4	178.4	-179.5	178.3	0	112.8	G676 F677 A684	G676-K680 WeakPolarHBondContact O-CB 3.28Å; G676-K680 WeakPolarHBondContact O-CG 3.28Å; G676-K680 PolarHBondContact O-N 2.83Å; F677-K680 PolarHBondContact O-N 2.78Å; K680-A684 VanDerWaalsContact O-CB 3.25Å; K680-A684 WeakPolarHBondContact O-CB 3.45Å; K680-A684 PolarHBondContact O-N 3.32Å
681	T	50.6	Low	50.5	Low	64 Å²	64	110.5 Å²	110.5	39%	0.393	59%	0.586	S	S	.	*	H	α-helix	trans	-69.7	-40.9	172.4	40.9	0	0	0	0	111.2	F677 S678 V683 A684 D685	F677-T681 HydrophobicContact CD1-CG2 4.28Å; F677-T681 PolarHBondContact O-N 2.79Å; F677-T681 PolarHBondContact O-OG1 2.76Å; S678-T681 PolarHBondContact O-OG1 3.22Å; T681-V683 VanDerWaalsContact C-N 3.32Å; T681-V683 PolarHBondContact O-N 2.81Å; T681-A684 PolarHBondContact O-N 3.21Å; T681-D685 WeakPolarHBondContact O-CB 3.45Å; T681-D685 VanDerWaalsContact O-CG 3.31Å; T681-D685 PolarHBondContact O-N 2.84Å
682	A	44.5	Very low	47.8	Very low	52 Å²	52	112 Å²	112	43%	0.43	60%	0.603	S	S	.	*	H	α-helix	trans	-60.1	-41	173.8	0	0	0	0	0	112.3	S678 C686	S678-A682 WeakPolarHBondContact O-CB 3.37Å; S678-A682 PolarHBondContact O-N 3.46Å; A682-C686 PolarHBondContact O-N 2.83Å; A682-C686 PolarHBondContact O-SG 2.81Å
683	V	43.2	Very low	45.3	Very low	93 Å²	93	112.7 Å²	112.7	56%	0.564	62%	0.619	S	S	*	*	H	α-helix	trans	-72.9	-37.2	177	174	0	0	0	0	111.8	M679 T681 C686 V687	M679-V683 WeakPolarHBondContact O-CB 3.37Å; M679-V683 WeakPolarHBondContact O-CG2 3.17Å; M679-V683 PolarHBondContact O-N 3.16Å; T681-V683 VanDerWaalsContact C-N 3.32Å; T681-V683 PolarHBondContact O-N 2.81Å; V683-C686 PolarHBondContact O-N 3.37Å; V683-V687 VanDerWaalsContact O-CG2 3.31Å; V683-V687 WeakPolarHBondContact O-CG2 3.32Å; V683-V687 PolarHBondContact O-N 3.49Å
684	A	39	Very low	42.6	Very low	53 Å²	53	112.4 Å²	112.4	44%	0.438	63%	0.625	S	S	.	*	H	α-helix	trans	-67.6	-39	176.7	0	0	0	0	0	112.3	K680 T681 C686 V687 V688	K680-A684 VanDerWaalsContact O-CB 3.25Å; K680-A684 WeakPolarHBondContact O-CB 3.45Å; K680-A684 PolarHBondContact O-N 3.32Å; T681-A684 PolarHBondContact O-N 3.21Å; A684-C686 VanDerWaalsContact C-N 3.29Å; A684-C686 PolarHBondContact O-N 2.92Å; A684-V687 PolarHBondContact O-N 3.33Å; A684-V688 PolarHBondContact O-N 3.22Å
685	D	37.8	Very low	40	Very low	117 Å²	117	114.3 Å²	114.3	63%	0.626	63%	0.631	S	S	*	*	H	α-helix	trans	-69.2	-28.8	176.4	-71.8	-19.1	0	0	0	112	T681	T681-D685 WeakPolarHBondContact O-CB 3.45Å; T681-D685 VanDerWaalsContact O-CG 3.31Å; T681-D685 PolarHBondContact O-N 2.84Å
686	C	36.1	Very low	37.7	Very low	98 Å²	98	121 Å²	121	66%	0.662	66%	0.655	S	S	*	*	H	α-helix	trans	-72.1	-26.7	171.6	-71.4	0	0	0	0	113.4	A682 V683 A684	A682-C686 PolarHBondContact O-N 2.83Å; A682-C686 PolarHBondContact O-SG 2.81Å; V683-C686 PolarHBondContact O-N 3.37Å; A684-C686 VanDerWaalsContact C-N 3.29Å; A684-C686 PolarHBondContact O-N 2.92Å
687	V	35.4	Very low	35.8	Very low	115 Å²	115	126.5 Å²	126.5	70%	0.697	68%	0.679	S	S	*	*	H	α-helix	trans	-85.8	-19.2	-176.5	173.2	0	0	0	0	112.8	V683 A684	V683-V687 VanDerWaalsContact O-CG2 3.31Å; V683-V687 WeakPolarHBondContact O-CG2 3.32Å; V683-V687 PolarHBondContact O-N 3.49Å; A684-V687 PolarHBondContact O-N 3.33Å
688	V	32.5	Very low	34.4	Very low	126 Å²	126	126.1 Å²	126.1	76%	0.764	68%	0.682	S	S	*	*	S	Bend	trans	-87.7	-5	179.5	-179.1	0	0	0	0	113.1	A684	A684-V688 PolarHBondContact O-N 3.22Å
689	R	31.1	Very low	32.9	Very low	212 Å²	212	134 Å²	134	80%	0.8	70%	0.703	S	S	*	*	S	Bend	trans	-124.3	61.1	-178.1	-72.6	-178.5	65.8	168.1	0.6	112.5
690	E	28.4	Very low	32	Very low	178 Å²	178	136.7 Å²	136.7	83%	0.832	71%	0.711	S	S	*	*			trans	-163.1	49.8	159.4	-112.4	168.4	-139.9	0	0	112.8
691	D	23	Very low	30.9	Very low	169 Å²	169	135.8 Å²	135.8	90%	0.904	71%	0.714	S	S	*	*			trans	-95.7	80	155.5	-86.8	-26.8	0	0	0	108.4
692	S	26.5	Very low	29.7	Very low	110 Å²	110	141.5 Å²	141.5	77%	0.769	74%	0.741	S	S	*	*	S	Bend	trans	-170.7	114.8	155.7	26.5	0	0	0	0	112.4
693	S	26.7	Very low	28.8	Very low	112 Å²	112	144.2 Å²	144.2	78%	0.783	76%	0.757	S	S	*	*			trans	64.1	103.7	156.9	-90.4	0	0	0	0	121
694	S	24.9	Very low	27.9	Very low	101 Å²	101	144.9 Å²	144.9	71%	0.706	77%	0.766	S	S	*	*				65.8	100.1	123.1	69.6	0	0	0	0	120.3
695	R	23.2	Very low	27.2	Very low	220 Å²	220	150.2 Å²	150.2	83%	0.83	79%	0.786	S	S	*	*				44.4	95.5	119.4	-167.5	177.1	-179.9	131.9	1.3	116.7
696	F	26.3	Very low	26.5	Very low	189 Å²	189	149.4 Å²	149.4	83%	0.829	79%	0.789	S	S	*	*			trans	-138.2	97.4	145.2	-100.2	-86.6	0	0	0	109.8	L698	F696-L698 PolarHBondContact O-N 3.18Å
697	D	22.8	Very low	25.8	Very low	141 Å²	141	150.1 Å²	150.1	75%	0.754	79%	0.794	S	S	*	*			trans	-68.7	108.3	166.8	-77.5	-49.2	0	0	0	109.5
698	L	26.2	Very low	25.2	Very low	139 Å²	139	149.9 Å²	149.9	73%	0.728	80%	0.798	S	S	*	*			trans	-136.8	47.9	167.6	-94.1	161.8	0	0	0	111	F696	F696-L698 PolarHBondContact O-N 3.18Å
699	Y	22.3	Very low	24.7	Very low	234 Å²	234	150.2 Å²	150.2	92%	0.918	80%	0.8	S	S	*	*			trans	-90.4	91.4	152.3	-97.7	-87.5	0	0	0	108.2
700	K	25	Very low	24.4	Very low	189 Å²	189	145 Å²	145	82%	0.822	80%	0.796	S	S	*	*	S	Bend	trans	175.6	4.6	141.6	-104.9	175.3	179	178.2	0	119.6
701	N	22.9	Very low	24.1	Very low	139 Å²	139	142.9 Å²	142.9	74%	0.743	80%	0.796	S	S	*	*			trans	-128.4	63	-176.5	-74.3	-27.2	0	0	0	114.2
702	L	26.3	Very low	24	Very low	185 Å²	185	140.1 Å²	140.1	97%	0.969	79%	0.79	S	S	*	*			trans	-130.4	58	158.3	-111.8	94.1	0	0	0	110.5
703	S	25.4	Very low	24	Very low	108 Å²	108	140.5 Å²	140.5	76%	0.755	79%	0.789	S	S	*	*	S	Bend	trans	-151.1	55.4	164.3	68.9	0	0	0	0	111.7
704	S	23.6	Very low	23.8	Very low	108 Å²	108	142.1 Å²	142.1	76%	0.755	79%	0.789	S	S	*	*			trans	175.1	101.5	154.5	53.8	0	0	0	0	112.2
705	L	25.1	Very low	23.9	Very low	164 Å²	164	144.9 Å²	144.9	86%	0.859	80%	0.795	S	S	*	*			trans	-155.8	96.3	144.9	-143.5	70.8	0	0	0	111.1
706	C	23.1	Very low	24.4	Very low	101 Å²	101	139.4 Å²	139.4	68%	0.682	79%	0.788	S	S	*	*			trans	64.6	106.9	130.2	-61.6	0	0	0	0	119
707	S	21.3	Very low	24.6	Very low	112 Å²	112	135.6 Å²	135.6	78%	0.783	78%	0.782	S	S	*	*				69	105	69	73.2	0	0	0	0	115
708	S	22	Very low	24.6	Very low	110 Å²	110	134.7 Å²	134.7	77%	0.769	79%	0.786	S	S	*	*			trans	-140.2	128.9	151.3	39.4	0	0	0	0	110.9
709	T	22.6	Very low	24.3	Very low	133 Å²	133	134.4 Å²	134.4	82%	0.816	79%	0.791	S	S	*	*			trans	77.7	101.8	154.3	53.6	0	0	0	0	122.2
710	S	24.6	Very low	24.2	Very low	102 Å²	102	128.7 Å²	128.7	71%	0.713	79%	0.785	S	S	*	*				84.4	102.3	121.4	75.8	0	0	0	0	122.1
711	T	23	Very low	24.5	Very low	134 Å²	134	124.9 Å²	124.9	82%	0.822	78%	0.779	S	S	*	*				63.8	95.2	128.6	46.8	0	0	0	0	121.9
712	S	20.8	Very low	24.4	Very low	111 Å²	111	124.2 Å²	124.2	78%	0.776	78%	0.78	S	S	*	*			trans	0.4	154.5	130.6	-48.9	0	0	0	0	120.5
713	P	26.7	Very low	24.4	Very low	118 Å²	118	120.3 Å²	120.3	77%	0.766	77%	0.768	S	S	*	*			cis	-145.8	143.6	43.9	36.8	-14.4	0	0	0	120.7
714	L	21	Very low	24.4	Very low	147 Å²	147	124.9 Å²	124.9	77%	0.77	78%	0.775	S	S	*	*				30.2	125.8	127.5	-75	138.3	0	0	0	122.5
715	L	26.9	Very low	24.5	Very low	159 Å²	159	128.7 Å²	128.7	83%	0.832	78%	0.778	S	S	*	*				171.6	165.1	87.7	-101.5	127.7	0	0	0	112.9
716	P	34.6	Very low	24.7	Very low	105 Å²	105	125.7 Å²	125.7	68%	0.682	77%	0.77	S	S	*	*			trans	-117.3	-147.2	-151.1	49	-38.9	0	0	0	112.1
717	P	31.4	Very low	25	Very low	109 Å²	109	127.2 Å²	127.2	71%	0.708	78%	0.777	S	S	*	*			cis	-134.7	174	-18.1	37.8	-19.4	0	0	0	114.5
718	S	22.3	Very low	25.5	Very low	121 Å²	121	125.1 Å²	125.1	85%	0.846	77%	0.766	S	S	*	*				164.1	145.5	117.4	55.1	0	0	0	0	113
719	T	19.2	Very low	26	Very low	133 Å²	133	124.3 Å²	124.3	82%	0.816	76%	0.761	S	S	*	*			trans	-110	159.5	-164.5	33.5	0	0	0	0	111.8
720	S	21.3	Very low	26.5	Very low	114 Å²	114	126.1 Å²	126.1	80%	0.797	76%	0.757	S	S	*	*			trans	90.9	158.1	159.2	83	0	0	0	0	118.8
721	P	30.1	Very low	27.2	Very low	109 Å²	109	126 Å²	126	71%	0.708	75%	0.752	S	S	*	*				-132.2	160.7	-56.9	35.8	-20.3	0	0	0	113.7
722	V	20.9	Very low	27.9	Very low	125 Å²	125	126.7 Å²	126.7	76%	0.758	75%	0.746	S	S	*	*			trans	30.2	111.3	147.8	-172.4	0	0	0	0	118.7	K724	V722-K724 HydrophobicContact CG1-CG 4.44Å
723	S	26.9	Very low	28.7	Very low	103 Å²	103	127.8 Å²	127.8	72%	0.72	74%	0.738	S	S	*	*			trans	-134	113.9	141.8	71.2	0	0	0	0	111	K725	S723-K725 PolarHBondContact O-N 3.01Å
724	K	24	Very low	29	Very low	204 Å²	204	131.6 Å²	131.6	89%	0.887	74%	0.738	S	S	*	*			trans	-70	100	172.2	-68.2	174.8	177.9	176.2	0	108.1	V722	V722-K724 HydrophobicContact CG1-CG 4.44Å
725	K	27.6	Very low	30	Very low	189 Å²	189	129.8 Å²	129.8	82%	0.822	73%	0.728	S	S	*	*			trans	-97.1	116.4	166.1	-81.4	-177.6	179.5	175.2	0	109.9	S723	S723-K725 PolarHBondContact O-N 3.01Å
726	S	28.5	Very low	31	Very low	101 Å²	101	124.9 Å²	124.9	71%	0.706	71%	0.707	S	S	*	*			trans	-43.9	134.3	179	52.9	0	0	0	0	114.2	A728	S726-A728 PolarHBondContact O-N 2.87Å
727	T	29.6	Very low	30.9	Very low	132 Å²	132	123.6 Å²	123.6	81%	0.81	69%	0.694	S	S	*	*	S	Bend	trans	-63.3	66	166.2	40.3	0	0	0	0	111.9
728	A	31.7	Very low	31.4	Very low	68 Å²	68	125.4 Å²	125.4	56%	0.562	69%	0.691	S	S	*	*			trans	-104.3	-7.7	171.4	0	0	0	0	0	113.1	S726	S726-A728 PolarHBondContact O-N 2.87Å
729	S	32.9	Very low	32.2	Very low	94 Å²	94	125.2 Å²	125.2	66%	0.657	68%	0.678	S	S	*	*	S	Bend	trans	-86	-12.7	-178.7	66.3	0	0	0	0	114.9	V731	S729-V731 PolarHBondContact O-N 3.01Å
730	F	32.4	Very low	33.1	Very low	170 Å²	170	125 Å²	125	75%	0.746	67%	0.666	S	S	*	*	H	α-helix	trans	-78.3	-15.6	-179.9	-96.4	-86.2	0	0	0	114.6
731	V	40.4	Very low	33.7	Very low	99 Å²	99	124.9 Å²	124.9	60%	0.6	66%	0.656	S	S	*	*	H	α-helix	trans	-81.9	-28.7	-179	-179.1	0	0	0	0	112.3	S729 H733	S729-V731 PolarHBondContact O-N 3.01Å; V731-H733 PolarHBondContact O-N 3.3Å
732	H	37.2	Very low	34.1	Very low	149 Å²	149	128.3 Å²	128.3	69%	0.69	66%	0.655	S	S	*	*	H	α-helix	trans	-73.3	-24.9	-179	-97.5	-87.1	0	0	0	113.9
733	H	37.2	Very low	34.9	Very low	134 Å²	134	130.1 Å²	130.1	62%	0.62	65%	0.653	S	S	*	*	H	α-helix	trans	-76.6	-28.1	-178.6	-142.9	-68.8	0	0	0	113	V731	V731-H733 PolarHBondContact O-N 3.3Å
734	R	33.6	Very low	35.1	Very low	199 Å²	199	130.2 Å²	130.2	75%	0.751	64%	0.644	S	S	*	*	H	α-helix	trans	-75.5	-37	177.1	-77.3	-171.3	173.6	-168	-0.9	112.9	S736 N737 F738	R734-S736 VanDerWaalsContact C-N 3.34Å; R734-S736 PolarHBondContact O-N 3.31Å; R734-N737 PolarHBondContact O-N 3.26Å; R734-F738 WeakPolarHBondContact O-CD2 3.09Å; R734-F738 PolarHBondContact O-N 3.22Å
735	L	42.4	Very low	35.6	Very low	108 Å²	108	128.6 Å²	128.6	57%	0.565	64%	0.637	S	S	*	*	H	α-helix	trans	-69.1	-31.8	179.2	-69.3	171	0	0	0	112.7	F738 M739	L735-F738 PolarHBondContact O-N 3.37Å; L735-M739 PolarHBondContact O-N 3.27Å
736	S	46.6	Very low	35.8	Very low	56 Å²	56	129.3 Å²	129.3	39%	0.392	64%	0.635	S	S	.	*	H	α-helix	trans	-63.3	-42.3	175.5	-179.1	0	0	0	0	112.4	R734 M739 K740	R734-S736 VanDerWaalsContact C-N 3.34Å; R734-S736 PolarHBondContact O-N 3.31Å; S736-M739 PolarHBondContact O-N 3.01Å; S736-K740 PolarHBondContact O-N 3.2Å
737	N	33.6	Very low	35.9	Very low	78 Å²	78	127.9 Å²	127.9	42%	0.417	63%	0.625	S	S	.	*	H	α-helix	trans	-69.1	-36.1	180	-73.4	-10.3	0	0	0	112.5	R734 M739 K740 L741	R734-N737 PolarHBondContact O-N 3.26Å; N737-M739 VanDerWaalsContact C-N 3.33Å; N737-M739 PolarHBondContact O-N 2.97Å; N737-K740 PolarHBondContact O-N 2.98Å; N737-L741 WeakPolarHBondContact O-CG 3.42Å; N737-L741 PolarHBondContact O-N 3.47Å
738	F	41.1	Very low	36	Very low	147 Å²	147	129.7 Å²	129.7	65%	0.645	62%	0.622	S	S	*	*	H	α-helix	trans	-64.7	-35.1	174	-91.8	-79.2	0	0	0	113	R734 L735 R742	R734-F738 WeakPolarHBondContact O-CD2 3.09Å; R734-F738 PolarHBondContact O-N 3.22Å; L735-F738 PolarHBondContact O-N 3.37Å; F738-R742 PolarHBondContact O-N 3.15Å; F738-R742 VanDerWaalsContact O-N 3.11Å
739	M	39.3	Very low	35.9	Very low	117 Å²	117	131 Å²	131	58%	0.576	63%	0.626	S	S	*	*	H	α-helix	trans	-73.4	-36.4	175.6	-71	-63.3	-178.9	0	0	112.4	L735 S736 N737 R742 K743	L735-M739 PolarHBondContact O-N 3.27Å; S736-M739 PolarHBondContact O-N 3.01Å; N737-M739 VanDerWaalsContact C-N 3.33Å; N737-M739 PolarHBondContact O-N 2.97Å; M739-R742 PolarHBondContact O-N 3.32Å; M739-K743 PolarHBondContact O-N 3.24Å
740	K	36.9	Very low	35.6	Very low	130 Å²	130	132 Å²	132	57%	0.565	63%	0.629	S	S	*	*	H	α-helix	trans	-63.5	-41.8	172.5	-74.1	-179	-179.9	179.5	0	111.8	S736 N737 R742 K743 L744	S736-K740 PolarHBondContact O-N 3.2Å; N737-K740 PolarHBondContact O-N 2.98Å; K740-R742 PolarHBondContact O-N 3.47Å; K740-K743 PolarHBondContact O-N 2.8Å; K740-L744 PolarHBondContact O-N 2.88Å
741	L	35.2	Very low	35.5	Very low	111 Å²	111	129.1 Å²	129.1	58%	0.581	63%	0.625	S	S	*	*	H	α-helix	trans	-64	-37.4	175	-79.1	160.8	0	0	0	112.7	N737 K745	N737-L741 WeakPolarHBondContact O-CG 3.42Å; N737-L741 PolarHBondContact O-N 3.47Å; L741-K745 PolarHBondContact O-N 2.84Å
742	R	38.7	Very low	34.8	Very low	180 Å²	180	131.1 Å²	131.1	68%	0.679	64%	0.638	S	S	*	*	H	α-helix	trans	-67.7	-34.8	172.9	-89.7	-175.1	-178.6	162.4	2.2	113.3	F738 M739 K740 R746	F738-R742 PolarHBondContact O-N 3.15Å; F738-R742 VanDerWaalsContact O-N 3.11Å; M739-R742 PolarHBondContact O-N 3.32Å; K740-R742 PolarHBondContact O-N 3.47Å; R742-R746 PolarHBondContact O-N 2.89Å
743	K	36.4	Very low	34.3	Very low	164 Å²	164	134.6 Å²	134.6	71%	0.713	65%	0.645	S	S	*	*	H	α-helix	trans	-68.6	-42.4	175.4	-76.5	-174	177.7	-175.8	0	111.4	M739 K740 K745 R746 S747	M739-K743 PolarHBondContact O-N 3.24Å; K740-K743 PolarHBondContact O-N 2.8Å; K743-K745 VanDerWaalsContact C-N 3.33Å; K743-K745 PolarHBondContact O-N 3.41Å; K743-R746 PolarHBondContact O-N 3.23Å; K743-S747 PolarHBondContact O-N 3.14Å; K743-S747 PolarHBondContact O-OG 3.37Å
744	L	32.8	Very low	33.9	Very low	104 Å²	104	137 Å²	137	55%	0.545	65%	0.654	S	S	.	*	H	α-helix	trans	-61.9	-38.3	174	-80.7	161.6	0	0	0	112.3	K740 R746 S747 F748	K740-L744 PolarHBondContact O-N 2.88Å; L744-R746 VanDerWaalsContact C-N 3.33Å; L744-R746 PolarHBondContact O-N 2.81Å; L744-S747 WeakPolarHBondContact CA-OG 3.24Å; L744-S747 PolarHBondContact O-N 2.91Å; L744-S747 PolarHBondContact O-OG 3.06Å; L744-F748 VanDerWaalsContact O-CD2 3.25Å; L744-F748 WeakPolarHBondContact O-CD2 3.26Å
745	K	33.6	Very low	33.7	Very low	171 Å²	171	133.9 Å²	133.9	74%	0.743	66%	0.659	S	S	*	*	H	α-helix	trans	-70.2	-27.7	177.2	-141.6	172.6	-173.3	175.9	0	113.2	L741 K743 S749	L741-K745 PolarHBondContact O-N 2.84Å; K743-K745 VanDerWaalsContact C-N 3.33Å; K743-K745 PolarHBondContact O-N 3.41Å; K745-S749 PolarHBondContact O-OG 2.85Å
746	R	32	Very low	33.2	Very low	204 Å²	204	133.5 Å²	133.5	77%	0.77	66%	0.661	S	S	*	*	H	α-helix	trans	-79	-32.9	174.7	-82.8	-177.2	174	172.6	-1.8	113.1	R742 K743 L744 F748 S749	R742-R746 PolarHBondContact O-N 2.89Å; K743-R746 PolarHBondContact O-N 3.23Å; L744-R746 VanDerWaalsContact C-N 3.33Å; L744-R746 PolarHBondContact O-N 2.81Å; R746-F748 VanDerWaalsContact C-N 3.28Å; R746-F748 PolarHBondContact O-N 3.47Å; R746-S749 WeakPolarHBondContact O-CB 3.44Å; R746-S749 PolarHBondContact O-N 2.99Å; R746-S749 VanDerWaalsContact O-N 3.13Å
747	S	31.4	Very low	32.5	Very low	70 Å²	70	137.3 Å²	137.3	49%	0.49	67%	0.673	S	S	.	*	H	α-helix	trans	-68.3	-23.9	179.2	47.6	0	0	0	0	113.8	K743 L744 S749	K743-S747 PolarHBondContact O-N 3.14Å; K743-S747 PolarHBondContact O-OG 3.37Å; L744-S747 WeakPolarHBondContact CA-OG 3.24Å; L744-S747 PolarHBondContact O-N 2.91Å; L744-S747 PolarHBondContact O-OG 3.06Å; S747-S749 VanDerWaalsContact C-N 3.28Å; S747-S749 PolarHBondContact O-N 2.64Å
748	F	29.9	Very low	32.7	Very low	170 Å²	170	136.1 Å²	136.1	75%	0.746	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	-0.7	172.9	-74.5	-72.3	0	0	0	114.4	L744 R746	L744-F748 VanDerWaalsContact O-CD2 3.25Å; L744-F748 WeakPolarHBondContact O-CD2 3.26Å; R746-F748 VanDerWaalsContact C-N 3.28Å; R746-F748 PolarHBondContact O-N 3.47Å
749	S	30.6	Very low	32.6	Very low	95 Å²	95	135.8 Å²	135.8	66%	0.664	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.4	-1.8	-175	-55	0	0	0	0	114.9	K745 R746 S747	K745-S749 PolarHBondContact O-OG 2.85Å; R746-S749 WeakPolarHBondContact O-CB 3.44Å; R746-S749 PolarHBondContact O-N 2.99Å; R746-S749 VanDerWaalsContact O-N 3.13Å; S747-S749 VanDerWaalsContact C-N 3.28Å; S747-S749 PolarHBondContact O-N 2.64Å
750	T	26.7	Very low	32.6	Very low	115 Å²	115	134.1 Å²	134.1	71%	0.706	67%	0.669	S	S	*	*			trans	-112.8	4.2	-172.1	46.4	0	0	0	0	116.3	T752	T750-T752 PolarHBondContact O-N 3.37Å
751	T	29.5	Very low	32.8	Very low	110 Å²	110	129.4 Å²	129.4	68%	0.675	65%	0.653	S	S	*	*			trans	-87.9	101.6	167	56.6	0	0	0	0	109.6	R753	T751-R753 VanDerWaalsContact C-N 3.31Å; T751-R753 PolarHBondContact O-N 2.84Å
752	T	26.4	Very low	32.9	Very low	141 Å²	141	126.4 Å²	126.4	87%	0.865	64%	0.637	S	S	*	*			trans	-55.7	85.8	169.6	49.4	0	0	0	0	110.9	T750	T750-T752 PolarHBondContact O-N 3.37Å
753	R	27.4	Very low	33.1	Very low	223 Å²	223	120.5 Å²	120.5	84%	0.842	62%	0.617	S	S	*	*			trans	-82.1	119.2	164.5	-81.3	-170.6	176.5	-156.6	-0.6	108.6	T751	T751-R753 VanDerWaalsContact C-N 3.31Å; T751-R753 PolarHBondContact O-N 2.84Å
754	K	27.2	Very low	33.4	Very low	183 Å²	183	117.7 Å²	117.7	80%	0.796	61%	0.607	S	S	*	*			trans	-54.7	146.4	164.1	-69.8	178.2	179	175.9	0	108.6	V756	K754-V756 PolarHBondContact O-N 3.22Å
755	P	30.7	Very low	33.8	Very low	134 Å²	134	113.3 Å²	113.3	87%	0.87	59%	0.585	S	S	*	*			trans	-71	103.5	-168.7	29	-32.6	0	0	0	109.7	H757	P755-H757 PolarHBondContact O-N 3.35Å
756	V	31.1	Very low	34.2	Very low	100 Å²	100	111.2 Å²	111.2	61%	0.606	58%	0.577	S	S	*	*			trans	-78.2	116.9	172.6	178.8	0	0	0	0	107.5	K754	K754-V756 PolarHBondContact O-N 3.22Å
757	H	32.6	Very low	34.6	Very low	136 Å²	136	108.5 Å²	108.5	63%	0.63	57%	0.568	S	S	*	*	S	Bend	trans	-57.2	147	165.8	-150.2	-93.2	0	0	0	108	P755	P755-H757 PolarHBondContact O-N 3.35Å
758	N	37.7	Very low	35.1	Very low	53 Å²	53	111.5 Å²	111.5	28%	0.283	57%	0.569	S	S	.	*			trans	111.1	26.9	165.4	-47.7	-22.8	0	0	0	121.2	A760 S761	N758-A760 PolarHBondContact O-N 3.3Å; N758-S761 WeakPolarHBondContact O-CB 3.38Å; N758-S761 PolarHBondContact O-N 3.33Å
759	F	39.5	Very low	35.7	Very low	141 Å²	141	106 Å²	106	62%	0.618	55%	0.551	S	S	*	*	H	α-helix	trans	-62.2	-26.6	164.7	-103.9	-88.6	0	0	0	114.5	S761 N762	F759-S761 PolarHBondContact O-N 3.19Å; F759-N762 PolarHBondContact O-N 3.04Å
760	A	38.2	Very low	36.2	Very low	81 Å²	81	107.2 Å²	107.2	67%	0.669	55%	0.545	S	S	*	.	H	α-helix	trans	-63.8	-27.9	176.2	0	0	0	0	0	112.5	N758	N758-A760 PolarHBondContact O-N 3.3Å
761	S	40.9	Very low	36.8	Very low	31 Å²	31	104.2 Å²	104.2	22%	0.217	53%	0.531	C	S	.	.	H	α-helix	trans	-69.2	-44.7	173.6	-53.9	0	0	0	0	110.6	N758 F759 K763 M764 N765	N758-S761 WeakPolarHBondContact O-CB 3.38Å; N758-S761 PolarHBondContact O-N 3.33Å; F759-S761 PolarHBondContact O-N 3.19Å; S761-K763 VanDerWaalsContact C-N 3.33Å; S761-K763 PolarHBondContact O-N 3.38Å; S761-M764 PolarHBondContact O-N 3.49Å; S761-N765 VanDerWaalsContact O-CB 3.26Å; S761-N765 WeakPolarHBondContact O-CB 3.17Å; S761-N765 PolarHBondContact O-N 3.33Å; S761-N765 PolarHBondContact O-ND2 3.41Å; S761-N765 PolarHBondContact O-OD1 2.86Å
762	N	37.8	Very low	37.4	Very low	48 Å²	48	104.7 Å²	104.7	26%	0.257	53%	0.526	S	S	.	.	H	α-helix	trans	-59.4	-36	-176.3	-80.3	-6.7	0	0	0	114.3	N84 F759 N765 Q766	N84-N762 PolarHBondContact ND2-OD1 3.38Å; N84-N762 VanDerWaalsContact ND2-OD1 3.13Å; F759-N762 PolarHBondContact O-N 3.04Å; N762-N765 PolarHBondContact O-N 3.13Å; N762-Q766 PolarHBondContact O-N 3.34Å
763	K	42.2	Very low	38.1	Very low	57 Å²	57	104.7 Å²	104.7	25%	0.248	51%	0.511	C	S	.	.	H	α-helix	trans	-79.3	-35.3	177.9	-139.9	-176.7	-177	-161.8	0	112.8	E166 S761 N765 Q766 Y767	E166-K763 HydrophobicContact CG-CD 4.38Å; S761-K763 VanDerWaalsContact C-N 3.33Å; S761-K763 PolarHBondContact O-N 3.38Å; K763-N765 PolarHBondContact O-N 3.39Å; K763-Q766 PolarHBondContact O-N 3.49Å; K763-Y767 PolarHBondContact O-N 3.08Å
764	M	42.4	Very low	38.6	Very low	104 Å²	104	97.3 Å²	97.3	51%	0.512	49%	0.488	S	S	.	.	H	α-helix	trans	-66	-27.7	170.7	-160.9	138.9	92.6	0	0	111.4	S761 R768	S761-M764 PolarHBondContact O-N 3.49Å; M764-R768 PolarHBondContact O-N 3.01Å
765	N	43.1	Very low	39.4	Very low	13 Å²	13	92.8 Å²	92.8	7%	0.07	47%	0.473	C	S	.	.	H	α-helix	trans	-80.3	-30.8	176	-63.6	-22.4	0	0	0	112.7	Y80 S761 N762 K763 R768 S769	Y80-N765 VanDerWaalsContact O-CG 3.28Å; Y80-N765 PolarHBondContact O-ND2 2.98Å; S761-N765 VanDerWaalsContact O-CB 3.26Å; S761-N765 WeakPolarHBondContact O-CB 3.17Å; S761-N765 PolarHBondContact O-N 3.33Å; S761-N765 PolarHBondContact O-ND2 3.41Å; S761-N765 PolarHBondContact O-OD1 2.86Å; N762-N765 PolarHBondContact O-N 3.13Å; K763-N765 PolarHBondContact O-N 3.39Å; N765-R768 PolarHBondContact O-N 3.09Å; N765-S769 VanDerWaalsContact O-CB 3.29Å; N765-S769 WeakPolarHBondContact O-CB 3.48Å; N765-S769 PolarHBondContact O-N 2.67Å; N765-S769 PolarHBondContact O-OG 2.99Å
766	Q	41.1	Very low	40.1	Very low	127 Å²	127	93.3 Å²	93.3	59%	0.593	46%	0.458	S	S	*	.	H	α-helix	trans	-62.6	-41.4	166.3	-77.8	178.4	-6.2	0	0	111.9	N762 K763 S769 F770	N762-Q766 PolarHBondContact O-N 3.34Å; K763-Q766 PolarHBondContact O-N 3.49Å; Q766-S769 WeakPolarHBondContact CA-OG 3.31Å; Q766-S769 PolarHBondContact O-OG 3.45Å; Q766-F770 WeakPolarHBondContact O-CB 3.29Å; Q766-F770 PolarHBondContact O-N 3.49Å
767	Y	41	Very low	40.7	Very low	147 Å²	147	90.7 Å²	90.7	58%	0.576	44%	0.441	S	S	*	.	H	α-helix	trans	-71.3	-34.7	174.4	-90.5	-83.3	0	0	0	113.2	K763 F770 A771	K763-Y767 PolarHBondContact O-N 3.08Å; Y767-F770 PolarHBondContact O-N 2.85Å; Y767-A771 WeakPolarHBondContact O-CB 3.01Å; Y767-A771 PolarHBondContact O-N 3.29Å
768	R	40.5	Very low	41.6	Very low	133 Å²	133	88.6 Å²	88.6	50%	0.502	43%	0.434	S	S	.	.	H	α-helix	trans	-70.5	-40.3	174.2	-81	-176	176.6	179	-1.8	112.4	M764 N765 A771 H772	M764-R768 PolarHBondContact O-N 3.01Å; N765-R768 PolarHBondContact O-N 3.09Å; R768-A771 PolarHBondContact O-N 3.36Å; R768-H772 VanDerWaalsContact O-CB 3.29Å; R768-H772 WeakPolarHBondContact O-CB 3.48Å; R768-H772 PolarHBondContact O-N 3.46Å
769	S	42.6	Very low	42.2	Very low	54 Å²	54	94.9 Å²	94.9	38%	0.378	45%	0.454	S	S	.	.	H	α-helix	trans	-67.1	-36.8	172.4	55.8	0	0	0	0	111.3	N765 Q766 H772 Y773	N765-S769 VanDerWaalsContact O-CB 3.29Å; N765-S769 WeakPolarHBondContact O-CB 3.48Å; N765-S769 PolarHBondContact O-N 2.67Å; N765-S769 PolarHBondContact O-OG 2.99Å; Q766-S769 WeakPolarHBondContact CA-OG 3.31Å; Q766-S769 PolarHBondContact O-OG 3.45Å; S769-H772 CarbonylContact O-C 3.54Å; S769-H772 PolarHBondContact O-N 3.02Å; S769-Y773 WeakPolarHBondContact O-CB 3.32Å; S769-Y773 PolarHBondContact O-N 2.9Å
770	F	41.7	Very low	42.9	Very low	121 Å²	121	96 Å²	96	53%	0.531	45%	0.453	S	S	.	.	H	α-helix	trans	-68.6	-39.8	172.9	-166.5	-100.6	0	0	0	112.2	Q766 Y767 Y773 N774	Q766-F770 WeakPolarHBondContact O-CB 3.29Å; Q766-F770 PolarHBondContact O-N 3.49Å; Y767-F770 PolarHBondContact O-N 2.85Å; F770-Y773 PolarHBondContact O-N 3.41Å; F770-N774 WeakPolarHBondContact CD1-ND2 3.47Å; F770-N774 WeakPolarHBondContact CE1-ND2 3.41Å; F770-N774 WeakPolarHBondContact O-CB 3.15Å; F770-N774 PolarHBondContact O-N 3.22Å
771	A	38.4	Very low	43.4	Very low	51 Å²	51	97 Å²	97	42%	0.421	45%	0.447	S	S	.	.	H	α-helix	trans	-67.5	-36.6	172.8	0	0	0	0	0	111.8	Y767 R768 N775	Y767-A771 WeakPolarHBondContact O-CB 3.01Å; Y767-A771 PolarHBondContact O-N 3.29Å; R768-A771 PolarHBondContact O-N 3.36Å; A771-N775 VanDerWaalsContact O-CB 3.3Å; A771-N775 WeakPolarHBondContact O-CB 3.45Å; A771-N775 PolarHBondContact O-N 2.92Å
772	H	42.3	Very low	43.9	Very low	120 Å²	120	99.7 Å²	99.7	56%	0.556	46%	0.459	S	S	*	.	H	α-helix	trans	-69	-38.6	171.5	-110.3	-105.3	0	0	0	111.8	R768 S769 N775 Y776	R768-H772 VanDerWaalsContact O-CB 3.29Å; R768-H772 WeakPolarHBondContact O-CB 3.48Å; R768-H772 PolarHBondContact O-N 3.46Å; S769-H772 CarbonylContact O-C 3.54Å; S769-H772 PolarHBondContact O-N 3.02Å; H772-N775 CarbonylContact O-C 3.52Å; H772-N775 PolarHBondContact O-N 3.44Å; H772-Y776 VanDerWaalsContact O-CB 3.23Å; H772-Y776 WeakPolarHBondContact O-CB 3.23Å; H772-Y776 PolarHBondContact O-N 3.45Å
773	Y	40.9	Very low	45.1	Very low	142 Å²	142	103.6 Å²	103.6	56%	0.557	47%	0.474	S	S	*	.	H	α-helix	trans	-65.6	-42.8	175.6	-175.7	-100.9	0	0	0	110.7	S769 F770 Y776 N777	S769-Y773 WeakPolarHBondContact O-CB 3.32Å; S769-Y773 PolarHBondContact O-N 2.9Å; F770-Y773 PolarHBondContact O-N 3.41Å; Y773-Y776 PolarHBondContact O-N 2.97Å; Y773-N777 WeakPolarHBondContact CD1-ND2 3.13Å; Y773-N777 WeakPolarHBondContact CE1-ND2 3.47Å; Y773-N777 WeakPolarHBondContact O-CB 3.29Å; Y773-N777 PolarHBondContact O-N 3.48Å; Y773-N777 PolarHBondContact O-ND2 3.07Å
774	N	38.4	Very low	45.4	Very low	67 Å²	67	102.8 Å²	102.8	36%	0.358	48%	0.478	S	S	.	.	H	α-helix	trans	-65.9	-40.8	171.4	-76.4	-20	0	0	0	111.7	F770 Y776 N777 L778	F770-N774 WeakPolarHBondContact CD1-ND2 3.47Å; F770-N774 WeakPolarHBondContact CE1-ND2 3.41Å; F770-N774 WeakPolarHBondContact O-CB 3.15Å; F770-N774 PolarHBondContact O-N 3.22Å; N774-Y776 VanDerWaalsContact C-N 3.33Å; N774-Y776 PolarHBondContact O-N 3.35Å; N774-N777 PolarHBondContact O-N 3.2Å; N774-L778 VanDerWaalsContact O-CB 3.24Å; N774-L778 WeakPolarHBondContact O-CB 3.22Å; N774-L778 WeakPolarHBondContact O-CD1 3.28Å; N774-L778 WeakPolarHBondContact O-CG 3.44Å; N774-L778 PolarHBondContact O-N 3.31Å
775	N	43.9	Very low	45.9	Very low	88 Å²	88	101.7 Å²	101.7	47%	0.471	47%	0.474	S	S	.	.	H	α-helix	trans	-65.1	-35.5	173.5	-107	-36.8	0	0	0	112.4	A771 H772 R779	A771-N775 VanDerWaalsContact O-CB 3.3Å; A771-N775 WeakPolarHBondContact O-CB 3.45Å; A771-N775 PolarHBondContact O-N 2.92Å; H772-N775 CarbonylContact O-C 3.52Å; H772-N775 PolarHBondContact O-N 3.44Å; N775-R779 WeakPolarHBondContact O-CB 3.42Å; N775-R779 VanDerWaalsContact O-CG 3.24Å; N775-R779 WeakPolarHBondContact O-CG 3.46Å; N775-R779 PolarHBondContact O-N 3.02Å
776	Y	46.3	Very low	46.7	Very low	146 Å²	146	109.3 Å²	109.3	57%	0.573	50%	0.502	S	S	*	.	H	α-helix	trans	-69.4	-44.5	176	-177.5	-97.7	0	0	0	110.7	H772 Y773 N774 R779 R780	H772-Y776 VanDerWaalsContact O-CB 3.23Å; H772-Y776 WeakPolarHBondContact O-CB 3.23Å; H772-Y776 PolarHBondContact O-N 3.45Å; Y773-Y776 PolarHBondContact O-N 2.97Å; N774-Y776 VanDerWaalsContact C-N 3.33Å; N774-Y776 PolarHBondContact O-N 3.35Å; Y776-R779 CarbonylContact O-C 3.43Å; Y776-R779 PolarHBondContact O-N 2.84Å; Y776-R780 VanDerWaalsContact O-CB 3.32Å; Y776-R780 WeakPolarHBondContact O-CB 3.43Å; Y776-R780 PolarHBondContact O-N 3.1Å
777	N	42.9	Very low	47.5	Very low	44 Å²	44	106.5 Å²	106.5	24%	0.235	49%	0.49	C	S	.	.	H	α-helix	trans	-65.3	-38.9	173.5	-74.9	-30.7	0	0	0	112	Y773 N774 R780 L781	Y773-N777 WeakPolarHBondContact CD1-ND2 3.13Å; Y773-N777 WeakPolarHBondContact CE1-ND2 3.47Å; Y773-N777 WeakPolarHBondContact O-CB 3.29Å; Y773-N777 PolarHBondContact O-N 3.48Å; Y773-N777 PolarHBondContact O-ND2 3.07Å; N774-N777 PolarHBondContact O-N 3.2Å; N777-R780 PolarHBondContact O-N 3.44Å; N777-L781 VanDerWaalsContact O-CB 3.31Å; N777-L781 WeakPolarHBondContact O-CB 2.93Å; N777-L781 WeakPolarHBondContact O-CG 3.42Å; N777-L781 PolarHBondContact O-N 3.43Å
778	L	51.5	Low	47.9	Very low	92 Å²	92	104.1 Å²	104.1	48%	0.482	49%	0.487	S	S	.	.	H	α-helix	trans	-62.4	-42.9	170.9	-85.7	155.5	0	0	0	111.4	N774 R780 L781 N782	N774-L778 VanDerWaalsContact O-CB 3.24Å; N774-L778 WeakPolarHBondContact O-CB 3.22Å; N774-L778 WeakPolarHBondContact O-CD1 3.28Å; N774-L778 WeakPolarHBondContact O-CG 3.44Å; N774-L778 PolarHBondContact O-N 3.31Å; L778-R780 VanDerWaalsContact C-N 3.34Å; L778-L781 PolarHBondContact O-N 2.92Å; L778-N782 WeakPolarHBondContact O-CB 3.48Å; L778-N782 PolarHBondContact O-N 3.37Å; L778-N782 PolarHBondContact O-ND2 3.11Å; L778-N782 VanDerWaalsContact O-ND2 3.15Å
779	R	50.1	Low	48.5	Very low	186 Å²	186	103.6 Å²	103.6	70%	0.702	49%	0.491	S	S	*	.	H	α-helix	trans	-64.2	-38.5	173.7	-78	177.3	-176.7	-169.2	2.1	111.7	N775 Y776 N782 F783	N775-R779 WeakPolarHBondContact O-CB 3.42Å; N775-R779 VanDerWaalsContact O-CG 3.24Å; N775-R779 WeakPolarHBondContact O-CG 3.46Å; N775-R779 PolarHBondContact O-N 3.02Å; Y776-R779 CarbonylContact O-C 3.43Å; Y776-R779 PolarHBondContact O-N 2.84Å; R779-N782 PolarHBondContact O-N 3.01Å; R779-F783 WeakPolarHBondContact O-CB 3.3Å; R779-F783 PolarHBondContact O-N 3.33Å
780	R	54.4	Low	49.1	Very low	163 Å²	163	108.5 Å²	108.5	62%	0.615	51%	0.505	S	S	*	.	H	α-helix	trans	-71	-39.6	178.2	-162.4	177.8	176.7	-172.5	-1	111.8	Y776 N777 L778 F783 A784	Y776-R780 VanDerWaalsContact O-CB 3.32Å; Y776-R780 WeakPolarHBondContact O-CB 3.43Å; Y776-R780 PolarHBondContact O-N 3.1Å; N777-R780 PolarHBondContact O-N 3.44Å; L778-R780 VanDerWaalsContact C-N 3.34Å; R780-F783 PolarHBondContact O-N 3.37Å; R780-A784 VanDerWaalsContact O-CB 3.25Å; R780-A784 WeakPolarHBondContact O-CB 3.43Å; R780-A784 PolarHBondContact O-N 3.21Å
781	L	50.1	Low	49.4	Very low	104 Å²	104	106.6 Å²	106.6	55%	0.545	50%	0.5	S	S	.	.	H	α-helix	trans	-65.1	-45.5	170.8	-78.3	164.3	0	0	0	110.9	N777 L778 F783 A784 N785	N777-L781 VanDerWaalsContact O-CB 3.31Å; N777-L781 WeakPolarHBondContact O-CB 2.93Å; N777-L781 WeakPolarHBondContact O-CG 3.42Å; N777-L781 PolarHBondContact O-N 3.43Å; L778-L781 PolarHBondContact O-N 2.92Å; L781-F783 VanDerWaalsContact C-N 3.31Å; L781-F783 PolarHBondContact O-N 3.06Å; L781-A784 PolarHBondContact O-N 3.11Å; L781-N785 VanDerWaalsContact O-CB 3.27Å; L781-N785 WeakPolarHBondContact O-CB 3.37Å; L781-N785 PolarHBondContact O-N 3.21Å; L781-N785 PolarHBondContact O-ND2 2.94Å
782	N	50.5	Low	49.8	Very low	87 Å²	87	107 Å²	107	47%	0.465	50%	0.5	S	S	.	.	H	α-helix	trans	-64.3	-36	175.6	-73.7	-26.4	0	0	0	112	L778 R779 R786	L778-N782 WeakPolarHBondContact O-CB 3.48Å; L778-N782 PolarHBondContact O-N 3.37Å; L778-N782 PolarHBondContact O-ND2 3.11Å; L778-N782 VanDerWaalsContact O-ND2 3.15Å; R779-N782 PolarHBondContact O-N 3.01Å; N782-R786 WeakPolarHBondContact O-CB 3.39Å; N782-R786 WeakPolarHBondContact O-CG 3.49Å; N782-R786 PolarHBondContact O-N 3.38Å
783	F	62.3	Low	49.9	Very low	130 Å²	130	105.2 Å²	105.2	57%	0.57	50%	0.5	S	S	*	.	H	α-helix	trans	-70	-43.5	174.1	-175.7	-104.2	0	0	0	111.7	R779 R780 L781 N785 R786 I787	R779-F783 WeakPolarHBondContact O-CB 3.3Å; R779-F783 PolarHBondContact O-N 3.33Å; R780-F783 PolarHBondContact O-N 3.37Å; L781-F783 VanDerWaalsContact C-N 3.31Å; L781-F783 PolarHBondContact O-N 3.06Å; F783-N785 VanDerWaalsContact C-N 3.33Å; F783-N785 PolarHBondContact O-N 3.12Å; F783-R786 PolarHBondContact O-N 3.37Å; F783-I787 HydrophobicContact CD1-CD1 3.65Å; F783-I787 HydrophobicContact CD1-CG1 4.42Å; F783-I787 HydrophobicContact CE1-CD1 3.21Å; F783-I787 HydrophobicContact CE1-CG1 4.16Å; F783-I787 HydrophobicContact CG-CD1 4.5Å; F783-I787 HydrophobicContact CZ-CD1 3.72Å; F783-I787 HydrophobicContact CZ-CG1 4.33Å; F783-I787 WeakPolarHBondContact O-CG1 3.46Å; F783-I787 PolarHBondContact O-N 2.64Å
784	A	49.2	Very low	50	Low	39 Å²	39	106.4 Å²	106.4	32%	0.322	51%	0.508	S	S	.	.	H	α-helix	trans	-61.8	-41.2	173.2	0	0	0	0	0	111.3	R780 L781 I787 N788	R780-A784 VanDerWaalsContact O-CB 3.25Å; R780-A784 WeakPolarHBondContact O-CB 3.43Å; R780-A784 PolarHBondContact O-N 3.21Å; L781-A784 PolarHBondContact O-N 3.11Å; A784-I787 CarbonylContact O-C 3.59Å; A784-I787 PolarHBondContact O-N 3.43Å; A784-N788 WeakPolarHBondContact O-CB 3.33Å; A784-N788 VanDerWaalsContact O-CG 3.28Å; A784-N788 PolarHBondContact O-N 3.26Å
785	N	52.1	Low	50	Low	82 Å²	82	113.6 Å²	113.6	44%	0.439	53%	0.53	S	S	.	.	H	α-helix	trans	-65	-40	174.4	-71.6	-13.3	0	0	0	111.5	L781 F783 N788 Q789	L781-N785 VanDerWaalsContact O-CB 3.27Å; L781-N785 WeakPolarHBondContact O-CB 3.37Å; L781-N785 PolarHBondContact O-N 3.21Å; L781-N785 PolarHBondContact O-ND2 2.94Å; F783-N785 VanDerWaalsContact C-N 3.33Å; F783-N785 PolarHBondContact O-N 3.12Å; N785-N788 PolarHBondContact O-N 3.5Å; N785-Q789 WeakPolarHBondContact O-CB 3.49Å; N785-Q789 WeakPolarHBondContact O-CG 3.44Å; N785-Q789 PolarHBondContact O-N 3.48Å
786	R	60.9	Low	49.7	Very low	173 Å²	173	114.4 Å²	114.4	65%	0.653	54%	0.538	S	S	*	.	H	α-helix	trans	-65.3	-37	171.8	-79.7	-177.2	-166.4	-179.2	4	112.7	N782 F783 K790	N782-R786 WeakPolarHBondContact O-CB 3.39Å; N782-R786 WeakPolarHBondContact O-CG 3.49Å; N782-R786 PolarHBondContact O-N 3.38Å; F783-R786 PolarHBondContact O-N 3.37Å; R786-K790 WeakPolarHBondContact O-CB 3.46Å; R786-K790 WeakPolarHBondContact O-CG 3.47Å; R786-K790 PolarHBondContact O-N 3.42Å
787	I	56.8	Low	49	Very low	67 Å²	67	114.7 Å²	114.7	34%	0.344	55%	0.545	S	S	.	.	H	α-helix	trans	-66.3	-46.4	173.8	-73.9	174.1	0	0	0	109.6	F783 A784 Q789 K790 I791	F783-I787 HydrophobicContact CD1-CD1 3.65Å; F783-I787 HydrophobicContact CD1-CG1 4.42Å; F783-I787 HydrophobicContact CE1-CD1 3.21Å; F783-I787 HydrophobicContact CE1-CG1 4.16Å; F783-I787 HydrophobicContact CG-CD1 4.5Å; F783-I787 HydrophobicContact CZ-CD1 3.72Å; F783-I787 HydrophobicContact CZ-CG1 4.33Å; F783-I787 WeakPolarHBondContact O-CG1 3.46Å; F783-I787 PolarHBondContact O-N 2.64Å; A784-I787 CarbonylContact O-C 3.59Å; A784-I787 PolarHBondContact O-N 3.43Å; I787-Q789 VanDerWaalsContact C-N 3.33Å; I787-Q789 PolarHBondContact O-N 3.33Å; I787-K790 CarbonylContact O-C 3.54Å; I787-K790 WeakPolarHBondContact O-CA 3.37Å; I787-K790 PolarHBondContact O-N 3.26Å; I787-K790 VanDerWaalsContact O-N 3.08Å; I787-I791 HydrophobicContact CG2-CD1 3.49Å; I787-I791 VanDerWaalsContact CG2-CD1 3.49Å; I787-I791 HydrophobicContact CG2-CG1 4.14Å; I787-I791 WeakPolarHBondContact O-CB 3.31Å; I787-I791 VanDerWaalsContact O-CG1 3.27Å; I787-I791 WeakPolarHBondContact O-CG1 3.36Å; I787-I791 PolarHBondContact O-N 3.37Å
788	N	50.8	Low	48.7	Very low	97 Å²	97	117.1 Å²	117.1	52%	0.519	56%	0.563	S	S	.	*	H	α-helix	trans	-62.5	-39.8	177.9	-73.9	-16.3	0	0	0	111.5	A784 N785 I791 S792	A784-N788 WeakPolarHBondContact O-CB 3.33Å; A784-N788 VanDerWaalsContact O-CG 3.28Å; A784-N788 PolarHBondContact O-N 3.26Å; N785-N788 PolarHBondContact O-N 3.5Å; N788-I791 PolarHBondContact O-N 3.37Å; N788-S792 WeakPolarHBondContact O-CB 3.4Å; N788-S792 PolarHBondContact O-N 3.4Å; N788-S792 PolarHBondContact O-OG 3.36Å
789	Q	53	Low	48	Very low	123 Å²	123	118.9 Å²	118.9	58%	0.575	58%	0.577	S	S	*	*	H	α-helix	trans	-62.3	-42.3	170.6	-78.3	177.5	-12	0	0	111.9	N785 I787 I791 S792 C793	N785-Q789 WeakPolarHBondContact O-CB 3.49Å; N785-Q789 WeakPolarHBondContact O-CG 3.44Å; N785-Q789 PolarHBondContact O-N 3.48Å; I787-Q789 VanDerWaalsContact C-N 3.33Å; I787-Q789 PolarHBondContact O-N 3.33Å; Q789-I791 PolarHBondContact O-N 3.09Å; Q789-S792 WeakPolarHBondContact CA-OG 3.21Å; Q789-S792 PolarHBondContact O-N 3.43Å; Q789-S792 PolarHBondContact O-OG 3.1Å; Q789-C793 VanDerWaalsContact O-CB 3.31Å; Q789-C793 WeakPolarHBondContact O-CB 3.37Å; Q789-C793 PolarHBondContact O-N 3.32Å; Q789-C793 PolarHBondContact O-SG 3.36Å
790	K	53.7	Low	47.3	Very low	156 Å²	156	119 Å²	119	68%	0.678	58%	0.583	S	S	*	*	H	α-helix	trans	-67.7	-33.6	175.1	-79.8	-175.9	176.5	-174.6	0	113.1	R786 I787 K794	R786-K790 WeakPolarHBondContact O-CB 3.46Å; R786-K790 WeakPolarHBondContact O-CG 3.47Å; R786-K790 PolarHBondContact O-N 3.42Å; I787-K790 CarbonylContact O-C 3.54Å; I787-K790 WeakPolarHBondContact O-CA 3.37Å; I787-K790 PolarHBondContact O-N 3.26Å; I787-K790 VanDerWaalsContact O-N 3.08Å; K790-K794 WeakPolarHBondContact O-CG 3.28Å; K790-K794 PolarHBondContact O-N 3.3Å; K790-K794 VanDerWaalsContact O-N 3.13Å
791	I	49.4	Very low	46.5	Very low	81 Å²	81	122 Å²	122	42%	0.415	61%	0.611	S	S	.	*	H	α-helix	trans	-75.2	-39.4	176.9	-67.3	170.2	0	0	0	110.1	I787 N788 Q789 K794 R795	I787-I791 HydrophobicContact CG2-CD1 3.49Å; I787-I791 VanDerWaalsContact CG2-CD1 3.49Å; I787-I791 HydrophobicContact CG2-CG1 4.14Å; I787-I791 WeakPolarHBondContact O-CB 3.31Å; I787-I791 VanDerWaalsContact O-CG1 3.27Å; I787-I791 WeakPolarHBondContact O-CG1 3.36Å; I787-I791 PolarHBondContact O-N 3.37Å; N788-I791 PolarHBondContact O-N 3.37Å; Q789-I791 PolarHBondContact O-N 3.09Å; I791-K794 PolarHBondContact O-N 3.43Å; I791-K794 VanDerWaalsContact O-N 3.16Å; I791-R795 PolarHBondContact O-N 3.22Å
792	S	47.1	Very low	46.3	Very low	61 Å²	61	122.9 Å²	122.9	43%	0.427	61%	0.614	S	S	.	*	H	α-helix	trans	-64.7	-43.3	174.1	65.3	0	0	0	0	110.7	N788 Q789 K794 R795 T796	N788-S792 WeakPolarHBondContact O-CB 3.4Å; N788-S792 PolarHBondContact O-N 3.4Å; N788-S792 PolarHBondContact O-OG 3.36Å; Q789-S792 WeakPolarHBondContact CA-OG 3.21Å; Q789-S792 PolarHBondContact O-N 3.43Å; Q789-S792 PolarHBondContact O-OG 3.1Å; S792-K794 PolarHBondContact O-N 3.27Å; S792-R795 PolarHBondContact O-N 3.4Å; S792-R795 VanDerWaalsContact O-N 3.12Å; S792-T796 PolarHBondContact O-N 3.24Å; S792-T796 PolarHBondContact O-OG1 3.36Å
793	C	43.9	Very low	46.1	Very low	81 Å²	81	124.7 Å²	124.7	55%	0.547	62%	0.622	S	S	.	*	H	α-helix	trans	-63.5	-24.9	173.2	-68	0	0	0	0	113.5	Q789	Q789-C793 VanDerWaalsContact O-CB 3.31Å; Q789-C793 WeakPolarHBondContact O-CB 3.37Å; Q789-C793 PolarHBondContact O-N 3.32Å; Q789-C793 PolarHBondContact O-SG 3.36Å
794	K	42.7	Very low	45.2	Very low	167 Å²	167	124.4 Å²	124.4	73%	0.726	63%	0.625	S	S	*	*	H	α-helix	trans	-82.5	-30.7	172.7	-79.5	-175.5	176.5	-168.1	0	113.1	K790 I791 S792 T796	K790-K794 WeakPolarHBondContact O-CG 3.28Å; K790-K794 PolarHBondContact O-N 3.3Å; K790-K794 VanDerWaalsContact O-N 3.13Å; I791-K794 PolarHBondContact O-N 3.43Å; I791-K794 VanDerWaalsContact O-N 3.16Å; S792-K794 PolarHBondContact O-N 3.27Å; K794-T796 VanDerWaalsContact C-N 3.28Å
795	R	38.9	Very low	45	Very low	218 Å²	218	129.5 Å²	129.5	82%	0.823	64%	0.643	S	S	*	*	H	α-helix	trans	-73.7	-21.7	173.1	-81	-174.9	174.2	177.2	-2.1	112.5	I791 S792	I791-R795 PolarHBondContact O-N 3.22Å; S792-R795 PolarHBondContact O-N 3.4Å; S792-R795 VanDerWaalsContact O-N 3.12Å
796	T	35.9	Very low	44.5	Very low	106 Å²	106	132.4 Å²	132.4	65%	0.65	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.4	25.8	175.2	62	0	0	0	0	113.3	S792 K794 P798	S792-T796 PolarHBondContact O-N 3.24Å; S792-T796 PolarHBondContact O-OG1 3.36Å; K794-T796 VanDerWaalsContact C-N 3.28Å; T796-P798 VanDerWaalsContact O-CD 3.31Å; T796-P798 WeakPolarHBondContact O-CD 3.07Å
797	Q	33.1	Very low	43.4	Very low	152 Å²	152	129.7 Å²	129.7	71%	0.71	66%	0.656	S	S	*	*			trans	-82.1	111	158.3	-84.8	-164.4	-28.6	0	0	107.7	V799	Q797-V799 PolarHBondContact O-N 3.22Å
798	P	36.5	Very low	42.5	Very low	95 Å²	95	134.2 Å²	134.2	62%	0.617	68%	0.678	S	S	*	*			trans	-64.1	129.8	174.7	29.6	-33.1	0	0	0	107.7	T796 F800	T796-P798 VanDerWaalsContact O-CD 3.31Å; T796-P798 WeakPolarHBondContact O-CD 3.07Å; P798-F800 VanDerWaalsContact C-N 3.29Å; P798-F800 HydrophobicContact CG-CD2 4.13Å; P798-F800 HydrophobicContact CG-CE2 3.86Å; P798-F800 PolarHBondContact O-N 3.17Å
799	V	36.2	Very low	41.9	Very low	129 Å²	129	137.1 Å²	137.1	78%	0.782	69%	0.691	S	S	*	*			trans	-65.8	95.8	167.5	177.4	0	0	0	0	106.2	Q797 N801	Q797-V799 PolarHBondContact O-N 3.22Å; V799-N801 PolarHBondContact O-N 3.49Å
800	F	34.8	Very low	40.9	Very low	189 Å²	189	138.3 Å²	138.3	83%	0.829	70%	0.7	S	S	*	*			trans	-70.5	101.9	160.8	-83	-85.7	0	0	0	106.9	P798	P798-F800 VanDerWaalsContact C-N 3.29Å; P798-F800 HydrophobicContact CG-CD2 4.13Å; P798-F800 HydrophobicContact CG-CE2 3.86Å; P798-F800 PolarHBondContact O-N 3.17Å
801	N	38.9	Very low	39.8	Very low	224 Å²	224	136.6 Å²	136.6	100%	1.198	70%	0.702	S	S	*	*			trans	-107.9	0	151.3	-91.4	-2.8	0	0	0	107.6	V799	V799-N801 PolarHBondContact O-N 3.49Å

Retrieved 801 of 801 residues in 289.7 ms (Link to these results)

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