A0A3Q0KMR4_SCHMA Loading...

Rab3 GTPase-activating protein catalytic subunit

AlphaFold DB , UniProt , Accession A0A3Q0KMR4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 870 aa.

						>A0A3Q0KMR4_SCHMA|A0A3Q0KMR4
MIKQDTEVSSVCGRLQFCGNLKFGERIFNLNYYKSCIESEQTKNSTHTITSESVPRSYVHAITPMPDFSGRFIIPLFWFGLSHAFILKPDDGEIKGGTRLSLLLSSVEMAVYATRCPVPVLVEHYGPSYFGLAASSCLKSSDYTNYLHNNVNNVSSSLSTSNRIGSLNIDFTSCRIEGEILANCTHLSGLKEIFLTKLGYPWSVNYPVPKLDISARFIYRLPSWSSLRVDYQNTNSLIFSFDLLQRTSMNLSFNLATTWPLVPSHAITEKPSWKSLKPEGAPICQLQLCASNPFADKMSVRIQRFFKSCSKCEQPVHQMTDISSNNPSSVLSSDSVVQFLLFLFPDADAEGVCNKVLHNELTLSFGDLSIHELLIWKRQPIMNSSERQKFASTFGLPNPISLIHRLAVIIANLLVYKHYEFNDCLLLINSMFNELYIELQLRYDRLICLPVQMLYEEVFNKFNINNSNEIIEEEEEASVDENKPLLNAWNHNSIQLINGLKFKDWPIDCYYDLDYILHRFNECILKARESHQHQTLEVQSDDDDDDDGDIYFDVYDETSPSSHDDVKSVRPKTNWLDACSRNDALSEAETILDWLKSRCLLDHLHSLLPHIILECMFTFHSLVPHPRLCKWYSSMLKKLDQEIYDLLKIHSSKSANMDTVSKVTKSFPLSTFCDILEIIAEFSIQFTCFNELIYNVILCDYSYMLDSDIFLNFLCKLSNHVILLENITGQLNSWSPSLGGWISLPNTTTTATATTTIANGNMKETERDMILKFLKMLFDKSIPNELNSTGEGKFQFTSIPQTWLPPDRPVDLRRPNYELYIFYTELPYPNQLTSRLGSHRLYIELYYDKQSSNYKNLLMAGSFSHDTQFF
					

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(Predicted Aligned Error values between residue pairs)

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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	21	Very low	27.1	Very low	238 Å²	238	127.2 Å²	127.2	100%	1.172	68%	0.677	S	S	*	*				0	110.5	0	-69.3	172.7	72.2	0	0	107.2
2	I	25.8	Very low	28.4	Very low	131 Å²	131	120.6 Å²	120.6	67%	0.672	65%	0.647	S	S	*	*			trans	-98.7	115.7	176.1	-59.5	174.5	0	0	0	106
3	K	21.7	Very low	29.9	Very low	163 Å²	163	111.8 Å²	111.8	71%	0.709	60%	0.603	S	S	*	*			trans	-78.5	135.6	170.1	-78.5	-172.1	169.7	-169.1	0	108.8	D5	K3-D5 VanDerWaalsContact C-N 3.28Å; K3-D5 WeakPolarHBondContact CB-OD2 3.31Å; K3-D5 PolarHBondContact O-N 3.04Å; K3-D5 VanDerWaalsContact O-N 3.09Å
4	Q	22.7	Very low	31.7	Very low	185 Å²	185	113 Å²	113	86%	0.864	59%	0.594	S	S	*	*			trans	-80.6	77.6	170.5	-70.1	176.4	-64.9	0	0	109.2
5	D	22.7	Very low	33.7	Very low	100 Å²	100	108.3 Å²	108.3	54%	0.535	57%	0.569	S	S	.	*			trans	-118.3	121.7	172.4	-72.5	-53.4	0	0	0	109.1	K3	K3-D5 VanDerWaalsContact C-N 3.28Å; K3-D5 WeakPolarHBondContact CB-OD2 3.31Å; K3-D5 PolarHBondContact O-N 3.04Å; K3-D5 VanDerWaalsContact O-N 3.09Å
6	T	26.9	Very low	36	Very low	111 Å²	111	104.1 Å²	104.1	68%	0.681	55%	0.546	S	S	*	.			trans	53.6	85	174.1	50	0	0	0	0	116.6
7	E	26.9	Very low	38.3	Very low	132 Å²	132	103.5 Å²	103.5	62%	0.617	54%	0.538	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.9	124.4	161.5	-66	-169	133.9	0	0	110	R14	E7-R14 IonicContact OE1-NH1 3.34Å; E7-R14 PolarHBondContact OE1-NH1 3.16Å; E7-R14 IonicContact OE2-NH1 3.56Å
8	V	28.7	Very low	40.5	Very low	101 Å²	101	101.1 Å²	101.1	61%	0.612	53%	0.531	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.6	107.2	167.5	-178.4	0	0	0	0	107.9	S10	V8-S10 PolarHBondContact O-N 3.39Å
9	S	27	Very low	42.7	Very low	102 Å²	102	96.9 Å²	96.9	71%	0.713	52%	0.515	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.1	124.7	174.4	48.4	0	0	0	0	110.1
10	S	33.7	Very low	44.8	Very low	45 Å²	45	96.1 Å²	96.1	32%	0.315	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	149.4	167.6	79.2	0	0	0	0	108.8	V8 C12 G13	V8-S10 PolarHBondContact O-N 3.39Å; S10-C12 PolarHBondContact O-N 3.32Å; S10-G13 PolarHBondContact N-O 2.84Å; S10-G13 PolarHBondContact O-N 3.43Å; S10-G13 VanDerWaalsContact O-O 3.09Å; S10-G13 PolarHBondContact OG-O 3.21Å
11	V	40.7	Very low	46.5	Very low	91 Å²	91	95.6 Å²	95.6	55%	0.552	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-21.8	-164.2	-178.3	0	0	0	0	115.2	P293	V11-P293 HydrophobicContact CB-CB 4.32Å; V11-P293 HydrophobicContact CG1-CB 3.69Å; V11-P293 HydrophobicContact CG2-CB 3.61Å; V11-P293 HydrophobicContact CG2-CG 3.88Å
12	C	42.7	Very low	49.3	Very low	48 Å²	48	92.6 Å²	92.6	32%	0.324	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.6	6.3	-179.8	-65.8	0	0	0	0	115.4	S10 Y33 I73 F77	S10-C12 PolarHBondContact O-N 3.32Å; C12-Y33 PolarHBondContact O-OH 3.09Å; C12-I73 HydrophobicContact CB-CD1 4.32Å; C12-I73 HydrophobicContact CB-CG2 4.46Å; C12-F77 HydrophobicContact CB-CE2 4.49Å
13	G	48.8	Very low	51.7	Low	7 Å²	7	90.2 Å²	90.2	7%	0.072	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.6	162.2	176.1	0	0	0	0	0	114.9	S10 K34	S10-G13 PolarHBondContact N-O 2.84Å; S10-G13 PolarHBondContact O-N 3.43Å; S10-G13 VanDerWaalsContact O-O 3.09Å; S10-G13 PolarHBondContact OG-O 3.21Å; G13-K34 CarbonylContact C-O 3.56Å; G13-K34 VanDerWaalsContact CA-O 3.27Å; G13-K34 WeakPolarHBondContact CA-O 3.45Å
14	R	55.2	Low	54.2	Low	128 Å²	128	86.2 Å²	86.2	48%	0.483	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	123.8	173.6	-70.5	-179.6	-165.5	-142.2	5.2	109.2	E7 Y33 K34	E7-R14 IonicContact OE1-NH1 3.34Å; E7-R14 PolarHBondContact OE1-NH1 3.16Å; E7-R14 IonicContact OE2-NH1 3.56Å; R14-Y33 WeakPolarHBondContact O-CA 3.41Å; R14-K34 PolarHBondContact N-O 3.34Å; R14-K34 PolarHBondContact O-N 3.14Å
15	L	61.1	Low	56.7	Low	42 Å²	42	87.1 Å²	87.1	22%	0.22	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	114.7	167.7	-168.3	74.4	0	0	0	107.9	N31 Y33 F72 I86	L15-N31 HydrophobicContact CD1-CB 3.7Å; L15-N31 HydrophobicContact CD2-CB 4.37Å; L15-N31 HydrophobicContact CG-CB 3.97Å; L15-Y33 HydrophobicContact CD1-CD2 4.42Å; L15-F72 HydrophobicContact CD1-CE2 4.3Å; L15-F72 HydrophobicContact CD1-CZ 3.93Å; L15-F72 HydrophobicContact CD2-CE1 4.49Å; L15-F72 HydrophobicContact CD2-CZ 4.38Å; L15-I86 HydrophobicContact CD1-CD1 3.79Å
16	Q	70.1	Confident	59.3	Low	42 Å²	42	86.6 Å²	86.6	20%	0.196	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	120.4	179	-175.2	170.9	23.9	0	0	109.9	C18 N31 Y32	Q16-C18 PolarHBondContact O-N 3Å; Q16-N31 CarbonylContact O-C 3.58Å; Q16-N31 WeakPolarHBondContact O-CA 3.16Å; Q16-Y32 PolarHBondContact N-O 2.66Å; Q16-Y32 PolarHBondContact O-N 3.2Å
17	F	76	Confident	61.9	Low	93 Å²	93	84.1 Å²	84.1	41%	0.408	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	124	172.2	177.4	-104	0	0	0	110.2	N20 N29 N31	F17-N20 WeakPolarHBondContact CE2-OD1 3.43Å; F17-N20 WeakPolarHBondContact CZ-OD1 3.33Å; F17-N29 HydrophobicContact CE2-CB 4.31Å; F17-N31 WeakPolarHBondContact CA-OD1 3.32Å; F17-N31 WeakPolarHBondContact CD2-OD1 3.38Å
18	C	77	Confident	64.6	Low	60 Å²	60	78.2 Å²	78.2	41%	0.405	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	-16.7	-178.9	-66.2	0	0	0	0	113.3	Q16 L30 Y32	Q16-C18 PolarHBondContact O-N 3Å; C18-L30 WeakPolarHBondContact CA-O 3.49Å; C18-L30 HydrophobicContact CB-CD2 4.06Å; C18-L30 HydrophobicContact CB-CG 4.03Å; C18-L30 WeakPolarHBondContact CB-O 3.44Å; C18-L30 PolarHBondContact N-O 3.49Å; C18-Y32 VanDerWaalsContact SG-CB 3.5Å
19	G	82.7	Confident	67.1	Low	22 Å²	22	74.9 Å²	74.9	23%	0.227	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	136.6	-175.3	176.8	0	0	0	0	0	113.5	L30	G19-L30 PolarHBondContact N-O 2.86Å; G19-L30 WeakPolarHBondContact O-CB 3.31Å; G19-L30 PolarHBondContact O-N 2.99Å
20	N	84.4	Confident	69.8	Low	80 Å²	80	71.6 Å²	71.6	43%	0.428	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	126	-176.8	-75.4	4.9	0	0	0	111.5	F17 I27 F28 N29	F17-N20 WeakPolarHBondContact CE2-OD1 3.43Å; F17-N20 WeakPolarHBondContact CZ-OD1 3.33Å; N20-I27 HydrophobicContact CB-CG2 3.78Å; N20-F28 CarbonylContact C-O 3.46Å; N20-F28 WeakPolarHBondContact CA-O 3.4Å; N20-N29 PolarHBondContact ND2-OD1 3.17Å; N20-N29 PolarHBondContact OD1-OD1 3.1Å
21	L	81.7	Confident	72.1	Confident	87 Å²	87	70.8 Å²	70.8	46%	0.455	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	138.8	170.1	-58.2	-172.6	0	0	0	110	I27 F28 L87	L21-I27 CarbonylContact O-C 3.58Å; L21-I27 WeakPolarHBondContact O-CA 3.19Å; L21-F28 HydrophobicContact CB-CB 4.41Å; L21-F28 PolarHBondContact N-O 3.42Å; L21-F28 PolarHBondContact O-N 3.3Å; L21-L87 HydrophobicContact CD1-CD2 3.59Å; L21-L87 HydrophobicContact CG-CD2 4.27Å
22	K	79.3	Confident	74	Confident	174 Å²	174	69.2 Å²	69.2	76%	0.757	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.7	125.6	173.6	-66.5	-173.4	177.1	-175.6	0	109.9	R26 I27	K22-R26 WeakPolarHBondContact CA-O 3.5Å; K22-I27 HydrophobicContact CG-CG1 4.44Å
23	F	76.5	Confident	75.2	Confident	82 Å²	82	67 Å²	67	36%	0.36	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	102.3	175	-174.5	-97.9	0	0	0	109.2	E25 R26 F28 L103 S106	F23-E25 PolarHBondContact O-N 3.3Å; F23-R26 PolarHBondContact N-O 2.9Å; F23-R26 PolarHBondContact O-N 2.86Å; F23-R26 VanDerWaalsContact O-N 3.13Å; F23-F28 HydrophobicContact CB-CD2 4.19Å; F23-F28 HydrophobicContact CB-CE2 3.97Å; F23-L103 HydrophobicContact CB-CD1 4.49Å; F23-L103 HydrophobicContact CD1-CD1 4.01Å; F23-L103 HydrophobicContact CD2-CD1 4.26Å; F23-L103 HydrophobicContact CE1-CB 4.34Å; F23-L103 HydrophobicContact CE1-CD1 4.28Å; F23-L103 HydrophobicContact CG-CD1 3.99Å; F23-S106 WeakPolarHBondContact CE2-OG 3.32Å
24	G	74.4	Confident	76	Confident	78 Å²	78	71.2 Å²	71.2	80%	0.804	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.9	-128.1	-165.5	0	0	0	0	0	110.8	R26	G24-R26 VanDerWaalsContact C-N 3.34Å
25	E	73.8	Confident	76	Confident	204 Å²	204	65.9 Å²	65.9	95%	0.953	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-6.6	176.7	-62.5	178.6	162.1	0	0	113.6	F23	F23-E25 PolarHBondContact O-N 3.3Å
26	R	77.9	Confident	75.1	Confident	90 Å²	90	66.9 Å²	66.9	34%	0.34	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	146.5	-176.5	-70.6	-170.5	173.3	-153.6	-1.4	112.9	K22 F23 G24 F28 E93	K22-R26 WeakPolarHBondContact CA-O 3.5Å; F23-R26 PolarHBondContact N-O 2.9Å; F23-R26 PolarHBondContact O-N 2.86Å; F23-R26 VanDerWaalsContact O-N 3.13Å; G24-R26 VanDerWaalsContact C-N 3.34Å; R26-F28 HydrophobicContact CB-CE2 3.96Å; R26-E93 PolarHBondContact NH1-O 3.04Å; R26-E93 PolarHBondContact NH2-O 3.29Å
27	I	81.8	Confident	73.5	Confident	58 Å²	58	70.5 Å²	70.5	30%	0.297	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	137.3	173.3	-57.6	178.7	0	0	0	108.6	N20 L21 K22 D90	N20-I27 HydrophobicContact CB-CG2 3.78Å; L21-I27 CarbonylContact O-C 3.58Å; L21-I27 WeakPolarHBondContact O-CA 3.19Å; K22-I27 HydrophobicContact CG-CG1 4.44Å; I27-D90 HydrophobicContact CB-CB 3.95Å; I27-D90 HydrophobicContact CG2-CB 4.07Å; I27-D90 WeakPolarHBondContact O-CB 3.32Å; I27-D90 PolarHBondContact O-N 3.24Å
28	F	83.1	Confident	71.2	Confident	8 Å²	8	73.8 Å²	73.8	4%	0.035	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	127.1	173.7	-71.9	-98.3	0	0	0	109.4	N20 L21 F23 R26 L87 K88 P89 I94 L103	N20-F28 CarbonylContact C-O 3.46Å; N20-F28 WeakPolarHBondContact CA-O 3.4Å; L21-F28 HydrophobicContact CB-CB 4.41Å; L21-F28 PolarHBondContact N-O 3.42Å; L21-F28 PolarHBondContact O-N 3.3Å; F23-F28 HydrophobicContact CB-CD2 4.19Å; F23-F28 HydrophobicContact CB-CE2 3.97Å; R26-F28 HydrophobicContact CB-CE2 3.96Å; F28-L87 HydrophobicContact CB-CD2 4.43Å; F28-K88 CarbonylContact C-O 3.51Å; F28-K88 VanDerWaalsContact CA-O 3.27Å; F28-K88 WeakPolarHBondContact CA-O 3.41Å; F28-P89 HydrophobicContact CD1-CB 4.19Å; F28-P89 HydrophobicContact CE1-CB 3.92Å; F28-P89 HydrophobicContact CE1-CG 4.47Å; F28-P89 HydrophobicContact CZ-CB 4.42Å; F28-I94 HydrophobicContact CE1-CD1 4.04Å; F28-I94 HydrophobicContact CZ-CD1 3.95Å; F28-L103 HydrophobicContact CE1-CD2 3.72Å; F28-L103 HydrophobicContact CE2-CD1 4.32Å; F28-L103 HydrophobicContact CZ-CD1 4.13Å; F28-L103 HydrophobicContact CZ-CD2 3.59Å
29	N	81.6	Confident	68.7	Low	31 Å²	31	76 Å²	76	17%	0.166	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	118	176.6	-59.6	-18.3	0	0	0	107.8	F17 N20 K88 D90	F17-N29 HydrophobicContact CE2-CB 4.31Å; N20-N29 PolarHBondContact ND2-OD1 3.17Å; N20-N29 PolarHBondContact OD1-OD1 3.1Å; N29-K88 PolarHBondContact N-O 2.67Å; N29-K88 PolarHBondContact O-N 3.18Å; N29-D90 PolarHBondContact ND2-OD1 3.03Å; N29-D90 PolarHBondContact OD1-OD1 3.39Å
30	L	84	Confident	65.9	Low	34 Å²	34	81.9 Å²	81.9	18%	0.178	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	113.5	175.8	176.2	67.6	0	0	0	108.8	C18 G19 F85 I86 L87	C18-L30 WeakPolarHBondContact CA-O 3.49Å; C18-L30 HydrophobicContact CB-CD2 4.06Å; C18-L30 HydrophobicContact CB-CG 4.03Å; C18-L30 WeakPolarHBondContact CB-O 3.44Å; C18-L30 PolarHBondContact N-O 3.49Å; G19-L30 PolarHBondContact N-O 2.86Å; G19-L30 WeakPolarHBondContact O-CB 3.31Å; G19-L30 PolarHBondContact O-N 2.99Å; L30-F85 HydrophobicContact CD1-CB 3.85Å; L30-F85 HydrophobicContact CD1-CD1 3.78Å; L30-F85 HydrophobicContact CD1-CG 4.1Å; L30-F85 HydrophobicContact CG-CD1 4.24Å; L30-I86 WeakPolarHBondContact CA-O 3.16Å; L30-L87 HydrophobicContact CB-CD2 3.92Å; L30-L87 HydrophobicContact CD1-CD2 3.63Å; L30-L87 HydrophobicContact CD1-CG 4.05Å; L30-L87 HydrophobicContact CG-CD2 4.34Å
31	N	81.6	Confident	63	Low	27 Å²	27	86.5 Å²	86.5	14%	0.144	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	134.8	175.7	-61.3	-53.8	0	0	0	110.1	L15 Q16 F17 F85 I86	L15-N31 HydrophobicContact CD1-CB 3.7Å; L15-N31 HydrophobicContact CD2-CB 4.37Å; L15-N31 HydrophobicContact CG-CB 3.97Å; Q16-N31 CarbonylContact O-C 3.58Å; Q16-N31 WeakPolarHBondContact O-CA 3.16Å; F17-N31 WeakPolarHBondContact CA-OD1 3.32Å; F17-N31 WeakPolarHBondContact CD2-OD1 3.38Å; N31-F85 CarbonylContact O-C 3.52Å; N31-F85 WeakPolarHBondContact O-CA 3.11Å; N31-I86 HydrophobicContact CB-CB 4.47Å; N31-I86 PolarHBondContact N-O 2.78Å; N31-I86 PolarHBondContact O-N 3.39Å
32	Y	80.1	Confident	60.3	Low	58 Å²	58	89.2 Å²	89.2	23%	0.227	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	123.8	167	179.5	-115.9	0	0	0	109.5	Q16 C18 K34 H83 F85 V118	Q16-Y32 PolarHBondContact N-O 2.66Å; Q16-Y32 PolarHBondContact O-N 3.2Å; C18-Y32 VanDerWaalsContact SG-CB 3.5Å; Y32-K34 HydrophobicContact CE1-CB 4.07Å; Y32-H83 HydrophobicContact CE2-CB 4.29Å; Y32-H83 AromaticContact CZ-CD2 3.84Å; Y32-H83 PolarHBondContact OH-CD2 3.49Å; Y32-F85 AromaticContact CD2-CD1 3.95Å; Y32-F85 HydrophobicContact CD2-CD1 3.95Å; Y32-F85 AromaticContact CD2-CE1 3.65Å; Y32-F85 HydrophobicContact CD2-CE1 3.65Å; Y32-F85 HydrophobicContact CD2-CE2 4.31Å; Y32-F85 HydrophobicContact CD2-CG 4.42Å; Y32-F85 AromaticContact CD2-CZ 3.84Å; Y32-F85 HydrophobicContact CD2-CZ 3.84Å; Y32-F85 HydrophobicContact CE2-CZ 4.4Å; Y32-F85 HydrophobicContact CG-CD1 4.46Å; Y32-F85 HydrophobicContact CG-CE1 4.08Å; Y32-V118 HydrophobicContact CE2-CG1 4.12Å; Y32-V118 HydrophobicContact CE2-CG2 4.49Å
33	Y	68.7	Low	57.7	Low	3 Å²	3	90.4 Å²	90.4	1%	0.012	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	133.1	170.6	175.2	-99.4	0	0	0	110.5	C12 R14 L15 F72 I73 L76 H83 A84	C12-Y33 PolarHBondContact O-OH 3.09Å; R14-Y33 WeakPolarHBondContact O-CA 3.41Å; L15-Y33 HydrophobicContact CD1-CD2 4.42Å; Y33-F72 AromaticContact CD2-CE2 3.53Å; Y33-F72 HydrophobicContact CD2-CE2 3.53Å; Y33-F72 HydrophobicContact CD2-CZ 4.21Å; Y33-F72 AromaticContact CE2-CE2 3.88Å; Y33-F72 HydrophobicContact CE2-CE2 3.88Å; Y33-F72 AromaticContact CG-CE2 3.96Å; Y33-F72 HydrophobicContact CG-CE2 3.96Å; Y33-I73 HydrophobicContact CE2-CD1 4.36Å; Y33-I73 HydrophobicContact CE2-CG1 4.18Å; Y33-L76 HydrophobicContact CD1-CD1 3.36Å; Y33-L76 HydrophobicContact CE1-CD1 3.65Å; Y33-L76 HydrophobicContact CG-CD1 4.04Å; Y33-H83 VanDerWaalsContact O-CA 3.28Å; Y33-H83 WeakPolarHBondContact O-CA 3.37Å; Y33-A84 PolarHBondContact N-O 2.71Å; Y33-A84 PolarHBondContact O-N 2.97Å; Y33-A84 VanDerWaalsContact O-N 3.08Å
34	K	64.6	Low	55.1	Low	95 Å²	95	94.2 Å²	94.2	41%	0.413	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	121.9	168.7	170.9	159.2	-173.2	172	0	109.8	G13 R14 Y32 C36 H83	G13-K34 CarbonylContact C-O 3.56Å; G13-K34 VanDerWaalsContact CA-O 3.27Å; G13-K34 WeakPolarHBondContact CA-O 3.45Å; R14-K34 PolarHBondContact N-O 3.34Å; R14-K34 PolarHBondContact O-N 3.14Å; Y32-K34 HydrophobicContact CE1-CB 4.07Å; K34-C36 PolarHBondContact O-N 2.9Å; K34-H83 VanDerWaalsContact CD-NE2 3.27Å; K34-H83 WeakPolarHBondContact CD-NE2 3.28Å; K34-H83 VanDerWaalsContact CE-NE2 3.27Å; K34-H83 WeakPolarHBondContact CE-NE2 3.43Å; K34-H83 WeakPolarHBondContact CG-NE2 3.49Å
35	S	55.2	Low	52.6	Low	15 Å²	15	96.5 Å²	96.5	11%	0.105	50%	0.496	C	S	.	.			trans	-66.7	124	163.2	-174.3	0	0	0	0	109.2	I37 S82	S35-I37 VanDerWaalsContact C-N 3.32Å; S35-I37 PolarHBondContact O-N 2.98Å; S35-I37 VanDerWaalsContact O-N 3.08Å; S35-S82 VanDerWaalsContact CB-O 3.26Å; S35-S82 WeakPolarHBondContact CB-O 3.46Å; S35-S82 PolarHBondContact N-O 3.35Å
36	C	43.6	Very low	50.1	Low	64 Å²	64	92.4 Å²	92.4	43%	0.432	49%	0.485	S	S	.	.			trans	-80.7	82.6	172.3	-67.8	0	0	0	0	109.4	K34	K34-C36 PolarHBondContact O-N 2.9Å
37	I	36.4	Very low	47.5	Very low	118 Å²	118	96.3 Å²	96.3	61%	0.605	51%	0.507	S	S	*	.			trans	-92.1	103.7	158.5	-54.1	174.8	0	0	0	105.3	S35 S39	S35-I37 VanDerWaalsContact C-N 3.32Å; S35-I37 PolarHBondContact O-N 2.98Å; S35-I37 VanDerWaalsContact O-N 3.08Å; I37-S39 PolarHBondContact O-N 2.89Å
38	E	26.9	Very low	44.6	Very low	161 Å²	161	99.5 Å²	99.5	75%	0.752	53%	0.529	S	S	*	.			trans	-74.1	92.5	-178.9	-76	-173.3	162.9	0	0	111.3	E40	E38-E40 VanDerWaalsContact C-N 3.33Å; E38-E40 PolarHBondContact O-N 3.2Å
39	S	25.2	Very low	41.7	Very low	107 Å²	107	107.4 Å²	107.4	75%	0.748	57%	0.57	S	S	*	*			trans	-88	70.8	155.7	61.9	0	0	0	0	109.4	I37 Q41	I37-S39 PolarHBondContact O-N 2.89Å; S39-Q41 PolarHBondContact O-N 3.13Å
40	E	24.1	Very low	38.9	Very low	145 Å²	145	112.4 Å²	112.4	68%	0.678	60%	0.602	S	S	*	*			trans	-74.9	63.4	169.1	-82.2	-136.2	142.1	0	0	111.5	E38 K355	E38-E40 VanDerWaalsContact C-N 3.33Å; E38-E40 PolarHBondContact O-N 3.2Å; E40-K355 IonicContact OE2-NZ 2.7Å; E40-K355 PolarHBondContact OE2-NZ 2.91Å
41	Q	23.1	Very low	36	Very low	177 Å²	177	115.6 Å²	115.6	83%	0.827	63%	0.627	S	S	*	*			trans	-141.1	100	158.7	-77.5	-168.2	-8.8	0	0	108.7	S39	S39-Q41 PolarHBondContact O-N 3.13Å
42	T	24.6	Very low	33.1	Very low	145 Å²	145	122.6 Å²	122.6	89%	0.89	66%	0.659	S	S	*	*			trans	170.3	80.1	142.5	48.4	0	0	0	0	109.6
43	K	24	Very low	30.3	Very low	198 Å²	198	125.7 Å²	125.7	86%	0.861	69%	0.689	S	S	*	*	S	Bend	trans	-137.1	102.3	150.3	-79.7	-169.3	179	174.6	0	108.7
44	N	22.6	Very low	28.2	Very low	162 Å²	162	130.9 Å²	130.9	87%	0.866	72%	0.721	S	S	*	*	S	Bend	trans	63.6	82	158.7	-51.9	-2.5	0	0	0	118.1
45	S	22.6	Very low	26.2	Very low	127 Å²	127	131.1 Å²	131.1	89%	0.888	73%	0.732	S	S	*	*				-165.1	154.7	120	56.6	0	0	0	0	111.1
46	T	20.7	Very low	24.7	Very low	118 Å²	118	138.8 Å²	138.8	72%	0.724	76%	0.759	S	S	*	*			trans	-98.2	127.2	-175.3	42.8	0	0	0	0	111.1
47	H	22.5	Very low	23.6	Very low	171 Å²	171	141.2 Å²	141.2	79%	0.792	78%	0.776	S	S	*	*				154.4	154.6	128	-87.2	-74.5	0	0	0	113.3
48	T	21.6	Very low	23.3	Very low	125 Å²	125	143.2 Å²	143.2	77%	0.767	78%	0.777	S	S	*	*			trans	57.4	98.6	166	42.2	0	0	0	0	117.9	T50	T48-T50 PolarHBondContact O-N 2.91Å
49	I	22.6	Very low	23.1	Very low	174 Å²	174	141.5 Å²	141.5	89%	0.892	78%	0.777	S	S	*	*			trans	-51.1	114.2	160.7	-61.1	153.2	0	0	0	109.8
50	T	22.1	Very low	23.4	Very low	136 Å²	136	141.7 Å²	141.7	83%	0.834	77%	0.766	S	S	*	*			trans	-106.6	145.3	152.3	46.2	0	0	0	0	109.1	T48	T48-T50 PolarHBondContact O-N 2.91Å
51	S	22.3	Very low	23.6	Very low	102 Å²	102	137 Å²	137	71%	0.713	75%	0.752	S	S	*	*			trans	-84.9	170.8	-160	43.3	0	0	0	0	114.5
52	E	22.2	Very low	23.9	Very low	174 Å²	174	131.7 Å²	131.7	81%	0.813	73%	0.729	S	S	*	*			trans	79.5	48.7	161.2	-47.2	-162	165.4	0	0	119.6	V54	E52-V54 VanDerWaalsContact C-N 3.28Å; E52-V54 PolarHBondContact O-N 3.11Å; E52-V54 VanDerWaalsContact O-N 3.12Å
53	S	21.6	Very low	24.1	Very low	122 Å²	122	127.5 Å²	127.5	85%	0.853	70%	0.703	S	S	*	*			trans	-81.3	71.9	155.2	52.9	0	0	0	0	112
54	V	23	Very low	24.8	Very low	113 Å²	113	118.5 Å²	118.5	69%	0.685	67%	0.665	S	S	*	*			trans	-57.1	128.4	170	179.7	0	0	0	0	109.2	E52 R56	E52-V54 VanDerWaalsContact C-N 3.28Å; E52-V54 PolarHBondContact O-N 3.11Å; E52-V54 VanDerWaalsContact O-N 3.12Å; V54-R56 PolarHBondContact O-N 2.89Å
55	P	23.3	Very low	25.1	Very low	99 Å²	99	114.5 Å²	114.5	64%	0.643	64%	0.642	S	S	*	*			trans	-64.5	105.7	-178.3	-20.1	31.8	0	0	0	110.8	S57	P55-S57 PolarHBondContact O-N 2.9Å; P55-S57 VanDerWaalsContact O-N 3.08Å
56	R	23.4	Very low	25.7	Very low	177 Å²	177	108.9 Å²	108.9	67%	0.668	60%	0.602	S	S	*	*			trans	-56.6	115.5	177.9	-72.6	178.3	176	172.5	-3.4	109.5	V54 Y58	V54-R56 PolarHBondContact O-N 2.89Å; R56-Y58 VanDerWaalsContact C-N 3.31Å; R56-Y58 HydrophobicContact CB-CD2 4.23Å; R56-Y58 HydrophobicContact CB-CE2 3.79Å; R56-Y58 VanDerWaalsContact O-CD2 3.22Å; R56-Y58 WeakPolarHBondContact O-CD2 3.12Å; R56-Y58 PolarHBondContact O-N 2.96Å
57	S	21.9	Very low	26.3	Very low	115 Å²	115	105.1 Å²	105.1	80%	0.804	58%	0.578	S	S	*	*			trans	-72.2	81.1	179	45	0	0	0	0	111.1	P55 V59	P55-S57 PolarHBondContact O-N 2.9Å; P55-S57 VanDerWaalsContact O-N 3.08Å; S57-V59 PolarHBondContact O-N 3.15Å; S57-V59 VanDerWaalsContact O-N 3.12Å
58	Y	28.8	Very low	26.9	Very low	160 Å²	160	97.2 Å²	97.2	63%	0.627	54%	0.541	S	S	*	.			trans	-66.2	111.8	175.4	-73.5	-82.8	0	0	0	111	R56 H60	R56-Y58 VanDerWaalsContact C-N 3.31Å; R56-Y58 HydrophobicContact CB-CD2 4.23Å; R56-Y58 HydrophobicContact CB-CE2 3.79Å; R56-Y58 VanDerWaalsContact O-CD2 3.22Å; R56-Y58 WeakPolarHBondContact O-CD2 3.12Å; R56-Y58 PolarHBondContact O-N 2.96Å; Y58-H60 VanDerWaalsContact C-N 3.32Å; Y58-H60 PolarHBondContact O-N 3.22Å
59	V	22.6	Very low	27.8	Very low	124 Å²	124	95.6 Å²	95.6	75%	0.752	54%	0.535	S	S	*	.			trans	-70.9	90	166.1	-179.5	0	0	0	0	108	S57 A61	S57-V59 PolarHBondContact O-N 3.15Å; S57-V59 VanDerWaalsContact O-N 3.12Å; V59-A61 PolarHBondContact O-N 2.83Å
60	H	31	Very low	28.9	Very low	112 Å²	112	89.9 Å²	89.9	52%	0.519	52%	0.519	S	S	.	.			trans	-67.1	116.5	176.8	-69.2	-22.9	0	0	0	110.6	Y58 I62 F77	Y58-H60 VanDerWaalsContact C-N 3.32Å; Y58-H60 PolarHBondContact O-N 3.22Å; H60-I62 PolarHBondContact O-N 2.71Å; H60-F77 AromaticContact CD2-CE1 3.95Å
61	A	28.9	Very low	30.1	Very low	46 Å²	46	86 Å²	86	38%	0.38	49%	0.489	S	S	.	.			trans	-72.9	96.4	174.9	0	0	0	0	0	109.7	V59 T63	V59-A61 PolarHBondContact O-N 2.83Å; A61-T63 PolarHBondContact O-N 2.88Å
62	I	29.5	Very low	31.4	Very low	65 Å²	65	82.5 Å²	82.5	33%	0.333	46%	0.461	S	S	.	.			trans	-56.5	123.4	172.9	-58.1	171.4	0	0	0	108.4	H60 Q287	H60-I62 PolarHBondContact O-N 2.71Å; I62-Q287 PolarHBondContact O-NE2 2.79Å
63	T	29.9	Very low	32.7	Very low	58 Å²	58	75.8 Å²	75.8	36%	0.356	43%	0.43	S	S	.	.			trans	-64.8	143.9	-178.2	12	0	0	0	0	111.5	A61 M65 D296	A61-T63 PolarHBondContact O-N 2.88Å; T63-M65 PolarHBondContact O-N 2.87Å; T63-D296 WeakPolarHBondContact CG2-OD1 2.79Å; T63-D296 WeakPolarHBondContact CG2-OD2 3.43Å
64	P	38.2	Very low	34	Very low	8 Å²	8	70.5 Å²	70.5	5%	0.052	39%	0.392	C	S	.	.	S	Bend	trans	-104.3	39	-158.8	43.3	-36.9	0	0	0	113.2	N254 Q287 C289	P64-N254 PolarHBondContact O-ND2 2.9Å; P64-Q287 HydrophobicContact CG-CG 3.94Å; P64-C289 HydrophobicContact CG-CB 3.96Å; P64-C289 WeakPolarHBondContact CG-SG 3.31Å
65	M	28.9	Very low	35.2	Very low	78 Å²	78	65.4 Å²	65.4	38%	0.384	36%	0.361	S	S	.	.			trans	-121	68	160.8	-72.2	-70.4	159.1	0	0	109.7	T63	T63-M65 PolarHBondContact O-N 2.87Å
66	P	34.5	Very low	36.7	Very low	9 Å²	9	60.7 Å²	60.7	6%	0.058	33%	0.331	C	S	.	.			trans	-89.6	12.9	-169.8	40	-40.8	0	0	0	116.2	F68 I74 E844	P66-F68 WeakPolarHBondContact O-CD2 3.43Å; P66-F68 VanDerWaalsContact O-CE2 3.27Å; P66-F68 WeakPolarHBondContact O-CE2 3.44Å; P66-I74 HydrophobicContact CB-CD1 4.43Å; P66-E844 VanDerWaalsContact CB-OE2 3.23Å; P66-E844 WeakPolarHBondContact CB-OE2 3.16Å; P66-E844 WeakPolarHBondContact CG-OE2 3.4Å
67	D	32.9	Very low	38	Very low	39 Å²	39	56 Å²	56	21%	0.209	32%	0.316	C	S	.	.	S	Bend	trans	-53.7	177.7	148.7	170.4	41.8	0	0	0	109.4	R71 R175	D67-R71 VanDerWaalsContact C-CZ 3.42Å; D67-R71 VanDerWaalsContact C-NE 3.28Å; D67-R71 WeakPolarHBondContact O-CG 3.36Å; D67-R71 PolarHBondContact O-NE 2.86Å; D67-R71 PolarHBondContact O-NH1 3.27Å; D67-R71 VanDerWaalsContact O-NH1 3.11Å; D67-R71 IonicContact OD1-NH1 2.72Å; D67-R71 IonicContact OD2-CZ 3.86Å; D67-R71 IonicContact OD2-NH1 2.86Å; D67-R71 PolarHBondContact OD2-NH1 2.83Å; D67-R175 IonicContact OD1-CZ 3.23Å; D67-R175 IonicContact OD1-NE 3.91Å; D67-R175 IonicContact OD1-NH1 3.01Å; D67-R175 IonicContact OD1-NH2 2.74Å; D67-R175 PolarHBondContact OD1-NH2 3.38Å; D67-R175 IonicContact OD2-NH2 2.71Å
68	F	35.9	Very low	39.5	Very low	6 Å²	6	51.6 Å²	51.6	3%	0.026	28%	0.281	C	S	.	.	S	Bend	trans	-105.7	-19.7	-166.2	-86.9	-105.2	0	0	0	121	P66 G70 R71 I74 P75 W78 P127 L858	P66-F68 WeakPolarHBondContact O-CD2 3.43Å; P66-F68 VanDerWaalsContact O-CE2 3.27Å; P66-F68 WeakPolarHBondContact O-CE2 3.44Å; F68-G70 VanDerWaalsContact C-N 3.32Å; F68-G70 PolarHBondContact O-N 3.29Å; F68-R71 HydrophobicContact CD1-CB 4.45Å; F68-R71 WeakPolarHBondContact O-CB 3.29Å; F68-R71 PolarHBondContact O-N 3.44Å; F68-R71 PolarHBondContact O-NE 3.26Å; F68-I74 HydrophobicContact CZ-CG2 4.33Å; F68-P75 HydrophobicContact CE1-CG 4.28Å; F68-W78 HydrophobicContact CE2-CH2 4.33Å; F68-W78 AromaticContact CZ-CH2 3.85Å; F68-W78 HydrophobicContact CZ-CH2 3.85Å; F68-W78 AromaticContact CZ-CZ3 3.92Å; F68-W78 HydrophobicContact CZ-CZ3 3.92Å; F68-P127 HydrophobicContact CB-CB 3.63Å; F68-P127 HydrophobicContact CB-CG 3.53Å; F68-P127 WeakPolarHBondContact O-CB 3.43Å; F68-L858 HydrophobicContact CD2-CD1 3.87Å; F68-L858 HydrophobicContact CD2-CD2 3.68Å; F68-L858 HydrophobicContact CD2-CG 4.36Å; F68-L858 HydrophobicContact CE2-CD1 4.18Å; F68-L858 HydrophobicContact CE2-CD2 4.11Å; F68-L858 HydrophobicContact CG-CD2 4.38Å
69	S	40	Very low	40.6	Very low	91 Å²	91	46.2 Å²	46.2	64%	0.636	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	24.8	-40.4	150.1	69.4	0	0	0	0	126.6	R71	S69-R71 VanDerWaalsContact CA-NH1 3.3Å; S69-R71 VanDerWaalsContact N-CZ 3.27Å; S69-R71 VanDerWaalsContact N-NE 3.15Å; S69-R71 PolarHBondContact OG-NH1 2.99Å; S69-R71 VanDerWaalsContact OG-NH1 3.11Å
70	G	45.6	Very low	42	Very low	53 Å²	53	43.3 Å²	43.3	55%	0.546	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	177.6	26.5	-163.7	0	0	0	0	0	110.8	F68	F68-G70 VanDerWaalsContact C-N 3.32Å; F68-G70 PolarHBondContact O-N 3.29Å
71	R	48.1	Very low	43.4	Very low	54 Å²	54	40 Å²	40	20%	0.204	24%	0.242	C	C	.	.			trans	-120.6	50.6	-153.2	-74.2	75.7	81.1	152.5	173.3	111.9	D67 F68 S69 I73 I74 P75	D67-R71 VanDerWaalsContact C-CZ 3.42Å; D67-R71 VanDerWaalsContact C-NE 3.28Å; D67-R71 WeakPolarHBondContact O-CG 3.36Å; D67-R71 PolarHBondContact O-NE 2.86Å; D67-R71 PolarHBondContact O-NH1 3.27Å; D67-R71 VanDerWaalsContact O-NH1 3.11Å; D67-R71 IonicContact OD1-NH1 2.72Å; D67-R71 IonicContact OD2-CZ 3.86Å; D67-R71 IonicContact OD2-NH1 2.86Å; D67-R71 PolarHBondContact OD2-NH1 2.83Å; F68-R71 HydrophobicContact CD1-CB 4.45Å; F68-R71 WeakPolarHBondContact O-CB 3.29Å; F68-R71 PolarHBondContact O-N 3.44Å; F68-R71 PolarHBondContact O-NE 3.26Å; S69-R71 VanDerWaalsContact CA-NH1 3.3Å; S69-R71 VanDerWaalsContact N-CZ 3.27Å; S69-R71 VanDerWaalsContact N-NE 3.15Å; S69-R71 PolarHBondContact OG-NH1 2.99Å; S69-R71 VanDerWaalsContact OG-NH1 3.11Å; R71-I73 VanDerWaalsContact C-N 3.28Å; R71-I74 HydrophobicContact CB-CD1 3.91Å; R71-I74 HydrophobicContact CB-CG1 4.23Å; R71-I74 HydrophobicContact CG-CD1 3.68Å; R71-I74 HydrophobicContact CG-CG1 4.37Å; R71-P75 WeakPolarHBondContact O-CD 3.41Å
72	F	49.6	Very low	44.9	Very low	30 Å²	30	40.3 Å²	40.3	13%	0.132	24%	0.242	C	C	.	.	S	Bend	trans	-71.4	-25	165	63.9	-101.1	0	0	0	112.4	L15 Y33 I74 P75 L76 I86 L121 Y129	L15-F72 HydrophobicContact CD1-CE2 4.3Å; L15-F72 HydrophobicContact CD1-CZ 3.93Å; L15-F72 HydrophobicContact CD2-CE1 4.49Å; L15-F72 HydrophobicContact CD2-CZ 4.38Å; Y33-F72 AromaticContact CD2-CE2 3.53Å; Y33-F72 HydrophobicContact CD2-CE2 3.53Å; Y33-F72 HydrophobicContact CD2-CZ 4.21Å; Y33-F72 AromaticContact CE2-CE2 3.88Å; Y33-F72 HydrophobicContact CE2-CE2 3.88Å; Y33-F72 AromaticContact CG-CE2 3.96Å; Y33-F72 HydrophobicContact CG-CE2 3.96Å; F72-I74 PolarHBondContact O-N 3.22Å; F72-P75 WeakPolarHBondContact O-CD 3.3Å; F72-L76 HydrophobicContact CD2-CD1 4.09Å; F72-L76 WeakPolarHBondContact O-CG 3.35Å; F72-I86 HydrophobicContact CB-CD1 4.2Å; F72-I86 HydrophobicContact CD1-CD1 4.12Å; F72-I86 HydrophobicContact CD2-CD1 3.31Å; F72-I86 HydrophobicContact CD2-CG1 4.37Å; F72-I86 HydrophobicContact CE1-CD1 4.36Å; F72-I86 HydrophobicContact CE2-CD1 3.6Å; F72-I86 HydrophobicContact CG-CD1 3.61Å; F72-I86 HydrophobicContact CG-CG1 4.46Å; F72-I86 HydrophobicContact CZ-CD1 4.13Å; F72-L121 HydrophobicContact CB-CD1 4.47Å; F72-Y129 HydrophobicContact CB-CE1 4.14Å; F72-Y129 HydrophobicContact CB-CE2 4.2Å
73	I	48.9	Very low	46.7	Very low	33 Å²	33	39.7 Å²	39.7	17%	0.169	24%	0.237	C	C	.	.	H	α-helix	trans	-63.8	-29.9	179.6	-63.4	179	0	0	0	111.7	C12 Y33 R71 L76 F77	C12-I73 HydrophobicContact CB-CD1 4.32Å; C12-I73 HydrophobicContact CB-CG2 4.46Å; Y33-I73 HydrophobicContact CE2-CD1 4.36Å; Y33-I73 HydrophobicContact CE2-CG1 4.18Å; R71-I73 VanDerWaalsContact C-N 3.28Å; I73-L76 PolarHBondContact O-N 2.91Å; I73-F77 HydrophobicContact CG2-CD2 3.46Å; I73-F77 VanDerWaalsContact CG2-CD2 3.46Å; I73-F77 HydrophobicContact CG2-CE2 3.3Å; I73-F77 HydrophobicContact CG2-CZ 4.44Å; I73-F77 WeakPolarHBondContact O-CD2 3.27Å; I73-F77 PolarHBondContact O-N 3.49Å
74	I	48.4	Very low	48.8	Very low	11 Å²	11	36.9 Å²	36.9	6%	0.056	22%	0.22	C	C	.	.	H	α-helix	trans	-70.3	-52.9	-176.4	-67	-176.6	0	0	0	112.1	P66 F68 R71 F72 L76 F77 W78	P66-I74 HydrophobicContact CB-CD1 4.43Å; F68-I74 HydrophobicContact CZ-CG2 4.33Å; R71-I74 HydrophobicContact CB-CD1 3.91Å; R71-I74 HydrophobicContact CB-CG1 4.23Å; R71-I74 HydrophobicContact CG-CD1 3.68Å; R71-I74 HydrophobicContact CG-CG1 4.37Å; F72-I74 PolarHBondContact O-N 3.22Å; I74-L76 PolarHBondContact O-N 2.83Å; I74-F77 PolarHBondContact O-N 2.7Å; I74-W78 HydrophobicContact CG2-CD2 3.64Å; I74-W78 HydrophobicContact CG2-CE3 3.94Å; I74-W78 HydrophobicContact CG2-CG 4.36Å; I74-W78 HydrophobicContact CG2-CH2 3.6Å; I74-W78 HydrophobicContact CG2-CZ2 3.26Å; I74-W78 HydrophobicContact CG2-CZ3 3.91Å; I74-W78 PolarHBondContact O-N 2.81Å
75	P	48.2	Very low	50.8	Low	5 Å²	5	38.7 Å²	38.7	3%	0.032	23%	0.227	C	C	.	.	H	α-helix	trans	-50.9	-42	169.5	-29.5	34.1	0	0	0	113.2	F68 R71 F72 W78 F79 L121 Y129 F171	F68-P75 HydrophobicContact CE1-CG 4.28Å; R71-P75 WeakPolarHBondContact O-CD 3.41Å; F72-P75 WeakPolarHBondContact O-CD 3.3Å; P75-W78 PolarHBondContact O-N 2.91Å; P75-F79 WeakPolarHBondContact O-CD2 3.47Å; P75-F79 PolarHBondContact O-N 3.33Å; P75-L121 HydrophobicContact CB-CD2 4.42Å; P75-Y129 HydrophobicContact CG-CD2 4.5Å; P75-F171 HydrophobicContact CB-CE2 4.08Å
76	L	54.8	Low	53.1	Low	1 Å²	1	35.2 Å²	35.2	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-61.6	-50.1	178.9	-63.9	175.2	0	0	0	111.8	Y33 F72 I73 I74 W78 F79 G80 L81 A84 L121	Y33-L76 HydrophobicContact CD1-CD1 3.36Å; Y33-L76 HydrophobicContact CE1-CD1 3.65Å; Y33-L76 HydrophobicContact CG-CD1 4.04Å; F72-L76 HydrophobicContact CD2-CD1 4.09Å; F72-L76 WeakPolarHBondContact O-CG 3.35Å; I73-L76 PolarHBondContact O-N 2.91Å; I74-L76 PolarHBondContact O-N 2.83Å; L76-W78 PolarHBondContact O-N 3.49Å; L76-F79 PolarHBondContact O-N 2.81Å; L76-G80 PolarHBondContact O-N 3.11Å; L76-L81 HydrophobicContact CB-CB 4.26Å; L76-L81 HydrophobicContact CD2-CB 3.76Å; L76-L81 HydrophobicContact CD2-CD1 3.83Å; L76-L81 HydrophobicContact CD2-CG 4.43Å; L76-L81 PolarHBondContact O-N 3.01Å; L76-A84 HydrophobicContact CD1-CB 4.22Å; L76-A84 HydrophobicContact CD2-CB 3.34Å; L76-A84 HydrophobicContact CG-CB 4.43Å; L76-L121 HydrophobicContact CD1-CD1 4.18Å; L76-L121 HydrophobicContact CD2-CD1 3.68Å; L76-L121 HydrophobicContact CG-CD1 3.9Å
77	F	51.8	Low	55.2	Low	79 Å²	79	35.3 Å²	35.3	35%	0.346	21%	0.21	S	C	.	.	H	α-helix	trans	-64.5	-39.7	176.9	-81.4	-56	0	0	0	113.4	C12 H60 I73 I74 F79 G80	C12-F77 HydrophobicContact CB-CE2 4.49Å; H60-F77 AromaticContact CD2-CE1 3.95Å; I73-F77 HydrophobicContact CG2-CD2 3.46Å; I73-F77 VanDerWaalsContact CG2-CD2 3.46Å; I73-F77 HydrophobicContact CG2-CE2 3.3Å; I73-F77 HydrophobicContact CG2-CZ 4.44Å; I73-F77 WeakPolarHBondContact O-CD2 3.27Å; I73-F77 PolarHBondContact O-N 3.49Å; I74-F77 PolarHBondContact O-N 2.7Å; F77-F79 VanDerWaalsContact C-N 3.27Å; F77-F79 PolarHBondContact O-N 3.47Å; F77-G80 PolarHBondContact O-N 2.92Å; F77-G80 VanDerWaalsContact O-N 3.1Å
78	W	52.8	Low	57.4	Low	22 Å²	22	37.6 Å²	37.6	8%	0.083	22%	0.219	C	C	.	.	H	α-helix	trans	-62.3	-33.2	179.8	-71	-11.6	0	0	0	113.2	F68 I74 P75 L76 Y842 A860	F68-W78 HydrophobicContact CE2-CH2 4.33Å; F68-W78 AromaticContact CZ-CH2 3.85Å; F68-W78 HydrophobicContact CZ-CH2 3.85Å; F68-W78 AromaticContact CZ-CZ3 3.92Å; F68-W78 HydrophobicContact CZ-CZ3 3.92Å; I74-W78 HydrophobicContact CG2-CD2 3.64Å; I74-W78 HydrophobicContact CG2-CE3 3.94Å; I74-W78 HydrophobicContact CG2-CG 4.36Å; I74-W78 HydrophobicContact CG2-CH2 3.6Å; I74-W78 HydrophobicContact CG2-CZ2 3.26Å; I74-W78 HydrophobicContact CG2-CZ3 3.91Å; I74-W78 PolarHBondContact O-N 2.81Å; P75-W78 PolarHBondContact O-N 2.91Å; L76-W78 PolarHBondContact O-N 3.49Å; W78-Y842 HydrophobicContact CB-CE1 4.23Å; W78-Y842 HydrophobicContact CB-CE2 4.15Å; W78-Y842 AromaticContact CD2-CD1 3.99Å; W78-Y842 HydrophobicContact CD2-CD1 3.99Å; W78-Y842 HydrophobicContact CD2-CE1 4.27Å; W78-Y842 HydrophobicContact CD2-CG 4.18Å; W78-Y842 HydrophobicContact CE3-CD1 4.36Å; W78-Y842 HydrophobicContact CE3-CD2 4.37Å; W78-Y842 HydrophobicContact CE3-CG 4.08Å; W78-Y842 HydrophobicContact CG-CD1 4.19Å; W78-Y842 AromaticContact CG-CE1 3.96Å; W78-Y842 HydrophobicContact CG-CE1 3.96Å; W78-Y842 HydrophobicContact CZ3-CG 4.45Å; W78-Y842 PolarHBondContact O-OH 3.32Å; W78-A860 HydrophobicContact CE3-CB 4.18Å; W78-A860 HydrophobicContact CZ3-CB 3.71Å
79	F	52.3	Low	59.3	Low	46 Å²	46	37.9 Å²	37.9	20%	0.202	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	5.9	174.9	-61.7	-63.2	0	0	0	114	P75 L76 F77 L81 F171	P75-F79 WeakPolarHBondContact O-CD2 3.47Å; P75-F79 PolarHBondContact O-N 3.33Å; L76-F79 PolarHBondContact O-N 2.81Å; F77-F79 VanDerWaalsContact C-N 3.27Å; F77-F79 PolarHBondContact O-N 3.47Å; F79-L81 VanDerWaalsContact C-N 3.3Å; F79-L81 HydrophobicContact CB-CD1 4.24Å; F79-L81 HydrophobicContact CB-CG 4.02Å; F79-L81 PolarHBondContact O-N 2.78Å; F79-F171 HydrophobicContact CD2-CD1 4.45Å; F79-F171 HydrophobicContact CD2-CD2 4.31Å; F79-F171 HydrophobicContact CD2-CG 4.22Å; F79-F171 HydrophobicContact CE2-CB 3.72Å; F79-F171 HydrophobicContact CE2-CD1 4.33Å; F79-F171 AromaticContact CE2-CD2 3.77Å; F79-F171 HydrophobicContact CE2-CD2 3.77Å; F79-F171 HydrophobicContact CE2-CE2 4.4Å; F79-F171 AromaticContact CE2-CG 3.7Å; F79-F171 HydrophobicContact CE2-CG 3.7Å; F79-F171 HydrophobicContact CZ-CB 3.79Å; F79-F171 HydrophobicContact CZ-CG 4.28Å
80	G	52.4	Low	60.9	Low	64 Å²	64	37.9 Å²	37.9	66%	0.66	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.9	21.5	178.2	0	0	0	0	0	114.9	L76 F77	L76-G80 PolarHBondContact O-N 3.11Å; F77-G80 PolarHBondContact O-N 2.92Å; F77-G80 VanDerWaalsContact O-N 3.1Å
81	L	58.8	Low	62	Low	42 Å²	42	42.1 Å²	42.1	22%	0.22	22%	0.224	C	C	.	.			trans	-82.8	115.4	-176.3	-57.6	-179.6	0	0	0	111.1	L76 F79 P119	L76-L81 HydrophobicContact CB-CB 4.26Å; L76-L81 HydrophobicContact CD2-CB 3.76Å; L76-L81 HydrophobicContact CD2-CD1 3.83Å; L76-L81 HydrophobicContact CD2-CG 4.43Å; L76-L81 PolarHBondContact O-N 3.01Å; F79-L81 VanDerWaalsContact C-N 3.3Å; F79-L81 HydrophobicContact CB-CD1 4.24Å; F79-L81 HydrophobicContact CB-CG 4.02Å; F79-L81 PolarHBondContact O-N 2.78Å; L81-P119 HydrophobicContact CD1-CB 4.01Å; L81-P119 HydrophobicContact CD1-CG 3.95Å; L81-P119 HydrophobicContact CD2-CG 3.94Å; L81-P119 HydrophobicContact CG-CG 4.49Å
82	S	61	Low	62.8	Low	53 Å²	53	41.5 Å²	41.5	37%	0.371	23%	0.234	S	C	.	.	S	Bend	trans	-82.2	-19.5	175.7	55.9	0	0	0	0	113.7	S35	S35-S82 VanDerWaalsContact CB-O 3.26Å; S35-S82 WeakPolarHBondContact CB-O 3.46Å; S35-S82 PolarHBondContact N-O 3.35Å
83	H	67.2	Low	63.7	Low	51 Å²	51	43.2 Å²	43.2	24%	0.236	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	143.2	-178.8	-55.4	80.5	0	0	0	110.3	Y32 Y33 K34	Y32-H83 HydrophobicContact CE2-CB 4.29Å; Y32-H83 AromaticContact CZ-CD2 3.84Å; Y32-H83 PolarHBondContact OH-CD2 3.49Å; Y33-H83 VanDerWaalsContact O-CA 3.28Å; Y33-H83 WeakPolarHBondContact O-CA 3.37Å; K34-H83 VanDerWaalsContact CD-NE2 3.27Å; K34-H83 WeakPolarHBondContact CD-NE2 3.28Å; K34-H83 VanDerWaalsContact CE-NE2 3.27Å; K34-H83 WeakPolarHBondContact CE-NE2 3.43Å; K34-H83 WeakPolarHBondContact CG-NE2 3.49Å
84	A	73.7	Confident	64.5	Low	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	155.1	173.3	0	0	0	0	0	111.8	Y33 L76 P119 L121	Y33-A84 PolarHBondContact N-O 2.71Å; Y33-A84 PolarHBondContact O-N 2.97Å; Y33-A84 VanDerWaalsContact O-N 3.08Å; L76-A84 HydrophobicContact CD1-CB 4.22Å; L76-A84 HydrophobicContact CD2-CB 3.34Å; L76-A84 HydrophobicContact CG-CB 4.43Å; A84-P119 CarbonylContact C-O 3.51Å; A84-P119 WeakPolarHBondContact CA-O 3.26Å; A84-P119 HydrophobicContact CB-CB 4.47Å; A84-L121 HydrophobicContact CB-CD1 4.29Å
85	F	80	Confident	65.2	Low	45 Å²	45	47.8 Å²	47.8	20%	0.197	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	143.9	160.8	-72.2	-71.7	0	0	0	110.1	L30 N31 Y32 V118 P119 V120 L121	L30-F85 HydrophobicContact CD1-CB 3.85Å; L30-F85 HydrophobicContact CD1-CD1 3.78Å; L30-F85 HydrophobicContact CD1-CG 4.1Å; L30-F85 HydrophobicContact CG-CD1 4.24Å; N31-F85 CarbonylContact O-C 3.52Å; N31-F85 WeakPolarHBondContact O-CA 3.11Å; Y32-F85 AromaticContact CD2-CD1 3.95Å; Y32-F85 HydrophobicContact CD2-CD1 3.95Å; Y32-F85 AromaticContact CD2-CE1 3.65Å; Y32-F85 HydrophobicContact CD2-CE1 3.65Å; Y32-F85 HydrophobicContact CD2-CE2 4.31Å; Y32-F85 HydrophobicContact CD2-CG 4.42Å; Y32-F85 AromaticContact CD2-CZ 3.84Å; Y32-F85 HydrophobicContact CD2-CZ 3.84Å; Y32-F85 HydrophobicContact CE2-CZ 4.4Å; Y32-F85 HydrophobicContact CG-CD1 4.46Å; Y32-F85 HydrophobicContact CG-CE1 4.08Å; F85-V118 HydrophobicContact CD2-CB 3.78Å; F85-V118 HydrophobicContact CD2-CG1 3.59Å; F85-V118 HydrophobicContact CE2-CB 3.73Å; F85-V118 HydrophobicContact CE2-CG1 3.86Å; F85-V118 HydrophobicContact CE2-CG2 4.17Å; F85-V118 HydrophobicContact CG-CG1 4.42Å; F85-P119 PolarHBondContact N-O 3.46Å; F85-V120 HydrophobicContact CB-CG1 4.4Å; F85-V120 HydrophobicContact CB-CG2 4.23Å; F85-V120 CarbonylContact O-C 3.54Å; F85-V120 WeakPolarHBondContact O-CA 3.47Å; F85-L121 WeakPolarHBondContact O-CB 3.33Å; F85-L121 PolarHBondContact O-N 2.91Å
86	I	78	Confident	66	Low	5 Å²	5	49.7 Å²	49.7	3%	0.026	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	118.2	178.6	-59.7	152.4	0	0	0	107.6	L15 L30 N31 F72 L121	L15-I86 HydrophobicContact CD1-CD1 3.79Å; L30-I86 WeakPolarHBondContact CA-O 3.16Å; N31-I86 HydrophobicContact CB-CB 4.47Å; N31-I86 PolarHBondContact N-O 2.78Å; N31-I86 PolarHBondContact O-N 3.39Å; F72-I86 HydrophobicContact CB-CD1 4.2Å; F72-I86 HydrophobicContact CD1-CD1 4.12Å; F72-I86 HydrophobicContact CD2-CD1 3.31Å; F72-I86 HydrophobicContact CD2-CG1 4.37Å; F72-I86 HydrophobicContact CE1-CD1 4.36Å; F72-I86 HydrophobicContact CE2-CD1 3.6Å; F72-I86 HydrophobicContact CG-CD1 3.61Å; F72-I86 HydrophobicContact CG-CG1 4.46Å; F72-I86 HydrophobicContact CZ-CD1 4.13Å; I86-L121 HydrophobicContact CB-CB 4.48Å; I86-L121 HydrophobicContact CG1-CB 4.15Å; I86-L121 HydrophobicContact CG1-CD1 3.8Å
87	L	79.9	Confident	66.4	Low	11 Å²	11	52.4 Å²	52.4	6%	0.058	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	109.6	172.2	-72.2	171	0	0	0	108.8	L21 F28 L30 V107 V120 L121 V122 E123	L21-L87 HydrophobicContact CD1-CD2 3.59Å; L21-L87 HydrophobicContact CG-CD2 4.27Å; F28-L87 HydrophobicContact CB-CD2 4.43Å; L30-L87 HydrophobicContact CB-CD2 3.92Å; L30-L87 HydrophobicContact CD1-CD2 3.63Å; L30-L87 HydrophobicContact CD1-CG 4.05Å; L30-L87 HydrophobicContact CG-CD2 4.34Å; L87-V107 HydrophobicContact CD1-CG1 4.19Å; L87-V107 HydrophobicContact CD1-CG2 3.92Å; L87-V120 HydrophobicContact CD1-CG1 3.66Å; L87-V120 HydrophobicContact CG-CG1 4.12Å; L87-L121 WeakPolarHBondContact CB-O 3.32Å; L87-L121 PolarHBondContact N-O 3.38Å; L87-V122 HydrophobicContact CB-CG2 4.32Å; L87-V122 HydrophobicContact CD1-CG2 4.18Å; L87-V122 WeakPolarHBondContact O-CA 3.48Å; L87-E123 PolarHBondContact O-N 3.48Å
88	K	77.9	Confident	67.2	Low	88 Å²	88	54 Å²	54	38%	0.383	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	133.1	176.3	178.1	178.7	175.3	108.6	0	109.9	F28 N29 D90 E123	F28-K88 CarbonylContact C-O 3.51Å; F28-K88 VanDerWaalsContact CA-O 3.27Å; F28-K88 WeakPolarHBondContact CA-O 3.41Å; N29-K88 PolarHBondContact N-O 2.67Å; N29-K88 PolarHBondContact O-N 3.18Å; K88-D90 PolarHBondContact O-N 3.5Å; K88-E123 HydrophobicContact CB-CB 4.43Å; K88-E123 HydrophobicContact CG-CB 4.39Å; K88-E123 IonicContact NZ-OE1 2.9Å; K88-E123 PolarHBondContact NZ-OE1 3.34Å; K88-E123 IonicContact NZ-OE2 3.3Å; K88-E123 PolarHBondContact NZ-OE2 3.02Å
89	P	75.6	Confident	68.1	Low	12 Å²	12	61.1 Å²	61.1	8%	0.078	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	136.3	171.1	26.8	-33.4	0	0	0	110.1	F28 D91 E123	F28-P89 HydrophobicContact CD1-CB 4.19Å; F28-P89 HydrophobicContact CE1-CB 3.92Å; F28-P89 HydrophobicContact CE1-CG 4.47Å; F28-P89 HydrophobicContact CZ-CB 4.42Å; P89-D91 VanDerWaalsContact C-N 3.31Å; P89-D91 PolarHBondContact O-N 2.8Å; P89-E123 VanDerWaalsContact CD-O 3.32Å; P89-E123 WeakPolarHBondContact CD-O 3.41Å
90	D	73.5	Confident	68.9	Low	91 Å²	91	60.7 Å²	60.7	49%	0.487	35%	0.353	S	S	.	.	S	Bend	trans	-66.8	-35	-178.3	-163.5	39.3	0	0	0	111.7	I27 N29 K88	I27-D90 HydrophobicContact CB-CB 3.95Å; I27-D90 HydrophobicContact CG2-CB 4.07Å; I27-D90 WeakPolarHBondContact O-CB 3.32Å; I27-D90 PolarHBondContact O-N 3.24Å; N29-D90 PolarHBondContact ND2-OD1 3.03Å; N29-D90 PolarHBondContact OD1-OD1 3.39Å; K88-D90 PolarHBondContact O-N 3.5Å
91	D	69	Low	69.8	Low	142 Å²	142	60.9 Å²	60.9	76%	0.759	35%	0.345	S	S	*	.	S	Bend	trans	-144.7	145.4	170.3	-171.1	15.8	0	0	0	111.8	P89	P89-D91 VanDerWaalsContact C-N 3.31Å; P89-D91 PolarHBondContact O-N 2.8Å
92	G	66.1	Low	70.6	Confident	41 Å²	41	63.8 Å²	63.8	42%	0.423	36%	0.36	S	S	.	.	S	Bend	trans	71.8	165.3	171.6	0	0	0	0	0	117.4
93	E	68.1	Low	71.5	Confident	65 Å²	65	61.7 Å²	61.7	30%	0.304	34%	0.344	S	S	.	.			trans	-88	155.7	178.3	-61.7	173.4	143	0	0	111.9	R26 K95 G126	R26-E93 PolarHBondContact NH1-O 3.04Å; R26-E93 PolarHBondContact NH2-O 3.29Å; E93-K95 HydrophobicContact CB-CG 4.28Å; E93-K95 PolarHBondContact O-N 2.76Å; E93-K95 WeakPolarHBondContact OE2-CE 3.27Å; E93-K95 IonicContact OE2-NZ 2.71Å; E93-K95 PolarHBondContact OE2-NZ 2.96Å; E93-G126 PolarHBondContact OE1-N 3.22Å
94	I	65.6	Low	71.8	Confident	16 Å²	16	60.3 Å²	60.3	8%	0.082	34%	0.339	C	S	.	.			trans	-89.6	94.7	172	-54.6	176.6	0	0	0	108.5	F28 R99 L100 L103 H124	F28-I94 HydrophobicContact CE1-CD1 4.04Å; F28-I94 HydrophobicContact CZ-CD1 3.95Å; I94-R99 HydrophobicContact CG2-CB 4.29Å; I94-L100 HydrophobicContact CG2-CB 4.36Å; I94-L103 HydrophobicContact CD1-CD2 3.32Å; I94-H124 HydrophobicContact CB-CB 4.36Å; I94-H124 WeakPolarHBondContact CB-O 3.41Å; I94-H124 HydrophobicContact CD1-CB 3.99Å; I94-H124 HydrophobicContact CG1-CB 4.5Å; I94-H124 PolarHBondContact N-O 2.89Å
95	K	63.6	Low	71.8	Confident	124 Å²	124	62.9 Å²	62.9	54%	0.539	36%	0.357	S	S	.	.			trans	-92.8	127.1	177	-54.7	-164.4	-175.5	-156.9	0	110.9	E93	E93-K95 HydrophobicContact CB-CG 4.28Å; E93-K95 PolarHBondContact O-N 2.76Å; E93-K95 WeakPolarHBondContact OE2-CE 3.27Å; E93-K95 IonicContact OE2-NZ 2.71Å; E93-K95 PolarHBondContact OE2-NZ 2.96Å
96	G	64.2	Low	71.8	Confident	46 Å²	46	63.2 Å²	63.2	47%	0.474	37%	0.365	S	S	.	.	S	Bend	trans	107.7	119.6	175.8	0	0	0	0	0	113.9	T98 R99 L100	G96-T98 VanDerWaalsContact C-N 3.3Å; G96-T98 PolarHBondContact O-N 2.92Å; G96-R99 PolarHBondContact O-N 3.46Å; G96-L100 PolarHBondContact O-N 2.81Å; G96-L100 VanDerWaalsContact O-N 3.16Å
97	G	62.6	Low	71.8	Confident	58 Å²	58	63.7 Å²	63.7	60%	0.598	37%	0.368	S	S	*	.	H	α-helix	trans	-56.5	-35.8	-174.5	0	0	0	0	0	114.8	R99 L100 S101	G97-R99 VanDerWaalsContact C-N 3.34Å; G97-R99 PolarHBondContact O-N 3.34Å; G97-L100 PolarHBondContact O-N 3.09Å; G97-S101 WeakPolarHBondContact O-CB 3.27Å; G97-S101 PolarHBondContact O-N 3.43Å
98	T	69.8	Low	71.2	Confident	113 Å²	113	66.4 Å²	66.4	69%	0.693	38%	0.38	S	S	*	.	H	α-helix	trans	-63.3	-37.8	175.9	-40.6	0	0	0	0	112.6	G96 L102	G96-T98 VanDerWaalsContact C-N 3.3Å; G96-T98 PolarHBondContact O-N 2.92Å; T98-L102 HydrophobicContact CG2-CD1 4.5Å; T98-L102 WeakPolarHBondContact O-CB 3.27Å; T98-L102 VanDerWaalsContact O-CG 3.31Å; T98-L102 WeakPolarHBondContact O-CG 3.38Å; T98-L102 PolarHBondContact O-N 3.39Å
99	R	70.2	Confident	71	Confident	171 Å²	171	68.5 Å²	68.5	65%	0.645	39%	0.393	S	S	*	.	H	α-helix	trans	-72.9	-37.4	177.7	-69.8	178.2	172.5	174.6	-5.3	111.4	I94 G96 G97 L103	I94-R99 HydrophobicContact CG2-CB 4.29Å; G96-R99 PolarHBondContact O-N 3.46Å; G97-R99 VanDerWaalsContact C-N 3.34Å; G97-R99 PolarHBondContact O-N 3.34Å; R99-L103 PolarHBondContact O-N 2.85Å; R99-L103 VanDerWaalsContact O-N 3.1Å
100	L	70.8	Confident	71	Confident	36 Å²	36	70.4 Å²	70.4	19%	0.188	41%	0.41	C	S	.	.	H	α-helix	trans	-62.5	-54.3	172.9	-177.9	57.7	0	0	0	110.4	I94 G96 G97 L102 L103 L104 H124	I94-L100 HydrophobicContact CG2-CB 4.36Å; G96-L100 PolarHBondContact O-N 2.81Å; G96-L100 VanDerWaalsContact O-N 3.16Å; G97-L100 PolarHBondContact O-N 3.09Å; L100-L102 VanDerWaalsContact C-N 3.33Å; L100-L102 PolarHBondContact O-N 2.91Å; L100-L103 WeakPolarHBondContact O-CB 3.33Å; L100-L103 PolarHBondContact O-N 2.71Å; L100-L104 HydrophobicContact CD1-CD1 3.88Å; L100-L104 HydrophobicContact CD1-CD2 4.1Å; L100-L104 HydrophobicContact CD1-CG 3.83Å; L100-L104 HydrophobicContact CG-CD1 3.83Å; L100-L104 HydrophobicContact CG-CG 4.14Å; L100-L104 WeakPolarHBondContact O-CG 3.11Å; L100-L104 PolarHBondContact O-N 3.14Å; L100-H124 HydrophobicContact CD1-CB 3.53Å
101	S	69.4	Low	70.9	Confident	69 Å²	69	66.4 Å²	66.4	48%	0.483	39%	0.388	S	S	.	.	H	α-helix	trans	-53	-46.5	177	170.7	0	0	0	0	112.4	G97 L103 L104 S105	G97-S101 WeakPolarHBondContact O-CB 3.27Å; G97-S101 PolarHBondContact O-N 3.43Å; S101-L103 PolarHBondContact O-N 3.46Å; S101-L104 PolarHBondContact O-N 3.13Å; S101-S105 WeakPolarHBondContact O-CB 3.45Å; S101-S105 PolarHBondContact O-N 3.37Å; S101-S105 PolarHBondContact O-OG 2.93Å
102	L	77.4	Confident	70.8	Confident	102 Å²	102	68.4 Å²	68.4	53%	0.534	39%	0.387	S	S	.	.	H	α-helix	trans	-60.1	-41.2	175.6	-77.3	168	0	0	0	113.3	T98 L100 S106	T98-L102 HydrophobicContact CG2-CD1 4.5Å; T98-L102 WeakPolarHBondContact O-CB 3.27Å; T98-L102 VanDerWaalsContact O-CG 3.31Å; T98-L102 WeakPolarHBondContact O-CG 3.38Å; T98-L102 PolarHBondContact O-N 3.39Å; L100-L102 VanDerWaalsContact C-N 3.33Å; L100-L102 PolarHBondContact O-N 2.91Å; L102-S106 VanDerWaalsContact O-CB 3.31Å; L102-S106 WeakPolarHBondContact O-CB 3.33Å; L102-S106 PolarHBondContact O-N 2.86Å; L102-S106 VanDerWaalsContact O-N 3.14Å; L102-S106 PolarHBondContact O-OG 2.99Å
103	L	78.3	Confident	71	Confident	9 Å²	9	70.2 Å²	70.2	5%	0.047	40%	0.398	C	S	.	.	H	α-helix	trans	-66.1	-48.7	175.1	177.8	66.6	0	0	0	111.1	F23 F28 I94 R99 L100 S101 S106 V107 V122	F23-L103 HydrophobicContact CB-CD1 4.49Å; F23-L103 HydrophobicContact CD1-CD1 4.01Å; F23-L103 HydrophobicContact CD2-CD1 4.26Å; F23-L103 HydrophobicContact CE1-CB 4.34Å; F23-L103 HydrophobicContact CE1-CD1 4.28Å; F23-L103 HydrophobicContact CG-CD1 3.99Å; F28-L103 HydrophobicContact CE1-CD2 3.72Å; F28-L103 HydrophobicContact CE2-CD1 4.32Å; F28-L103 HydrophobicContact CZ-CD1 4.13Å; F28-L103 HydrophobicContact CZ-CD2 3.59Å; I94-L103 HydrophobicContact CD1-CD2 3.32Å; R99-L103 PolarHBondContact O-N 2.85Å; R99-L103 VanDerWaalsContact O-N 3.1Å; L100-L103 WeakPolarHBondContact O-CB 3.33Å; L100-L103 PolarHBondContact O-N 2.71Å; S101-L103 PolarHBondContact O-N 3.46Å; L103-S106 WeakPolarHBondContact O-CA 3.47Å; L103-S106 WeakPolarHBondContact O-CB 3.47Å; L103-S106 PolarHBondContact O-N 2.77Å; L103-S106 VanDerWaalsContact O-N 3.09Å; L103-V107 HydrophobicContact CD1-CG2 4.22Å; L103-V107 HydrophobicContact CG-CG2 4.4Å; L103-V107 WeakPolarHBondContact O-CG2 3.31Å; L103-V107 PolarHBondContact O-N 3.49Å; L103-V122 HydrophobicContact CD2-CG1 3.86Å
104	L	75.1	Confident	71.3	Confident	22 Å²	22	72 Å²	72	12%	0.115	41%	0.413	C	S	.	.	H	α-helix	trans	-63.7	-45.8	-175.6	-63.2	-174.4	0	0	0	111.6	L100 S101 S106 V107 E108 V122 F130	L100-L104 HydrophobicContact CD1-CD1 3.88Å; L100-L104 HydrophobicContact CD1-CD2 4.1Å; L100-L104 HydrophobicContact CD1-CG 3.83Å; L100-L104 HydrophobicContact CG-CD1 3.83Å; L100-L104 HydrophobicContact CG-CG 4.14Å; L100-L104 WeakPolarHBondContact O-CG 3.11Å; L100-L104 PolarHBondContact O-N 3.14Å; S101-L104 PolarHBondContact O-N 3.13Å; L104-S106 VanDerWaalsContact C-N 3.26Å; L104-S106 PolarHBondContact O-N 2.9Å; L104-V107 PolarHBondContact O-N 3.41Å; L104-E108 WeakPolarHBondContact O-CB 3.39Å; L104-E108 PolarHBondContact O-N 3.42Å; L104-V122 HydrophobicContact CD2-CB 4.25Å; L104-V122 HydrophobicContact CD2-CG1 4.22Å; L104-V122 HydrophobicContact CD2-CG2 4.37Å; L104-F130 HydrophobicContact CB-CE1 4.29Å; L104-F130 HydrophobicContact CD1-CB 4.24Å; L104-F130 HydrophobicContact CD1-CD1 3.79Å; L104-F130 HydrophobicContact CD1-CD2 3.56Å; L104-F130 HydrophobicContact CD1-CE1 3.95Å; L104-F130 HydrophobicContact CD1-CE2 3.76Å; L104-F130 HydrophobicContact CD1-CG 3.58Å; L104-F130 HydrophobicContact CD1-CZ 3.95Å; L104-F130 HydrophobicContact CD2-CB 4.09Å; L104-F130 HydrophobicContact CD2-CD1 3.3Å; L104-F130 HydrophobicContact CD2-CE1 3.79Å; L104-F130 HydrophobicContact CD2-CG 3.74Å; L104-F130 HydrophobicContact CG-CD1 4.04Å; L104-F130 HydrophobicContact CG-CE1 4.19Å; L104-F130 HydrophobicContact CG-CG 4.27Å
105	S	73.4	Confident	71.3	Confident	55 Å²	55	79.3 Å²	79.3	39%	0.385	44%	0.44	S	S	.	.	H	α-helix	trans	-62.9	-31.5	172.8	-59.8	0	0	0	0	112.7	S101 M109	S101-S105 WeakPolarHBondContact O-CB 3.45Å; S101-S105 PolarHBondContact O-N 3.37Å; S101-S105 PolarHBondContact O-OG 2.93Å; S105-M109 WeakPolarHBondContact O-CB 3.31Å; S105-M109 WeakPolarHBondContact O-CG 3.48Å; S105-M109 PolarHBondContact O-N 2.96Å
106	S	79.4	Confident	71.4	Confident	51 Å²	51	74.5 Å²	74.5	36%	0.357	42%	0.421	S	S	.	.	H	α-helix	trans	-70.9	-39.5	174.4	-60.4	0	0	0	0	112.3	F23 L102 L103 L104 A110	F23-S106 WeakPolarHBondContact CE2-OG 3.32Å; L102-S106 VanDerWaalsContact O-CB 3.31Å; L102-S106 WeakPolarHBondContact O-CB 3.33Å; L102-S106 PolarHBondContact O-N 2.86Å; L102-S106 VanDerWaalsContact O-N 3.14Å; L102-S106 PolarHBondContact O-OG 2.99Å; L103-S106 WeakPolarHBondContact O-CA 3.47Å; L103-S106 WeakPolarHBondContact O-CB 3.47Å; L103-S106 PolarHBondContact O-N 2.77Å; L103-S106 VanDerWaalsContact O-N 3.09Å; L104-S106 VanDerWaalsContact C-N 3.26Å; L104-S106 PolarHBondContact O-N 2.9Å; S106-A110 WeakPolarHBondContact O-CB 3.46Å; S106-A110 PolarHBondContact O-N 3.18Å
107	V	77.6	Confident	71.5	Confident	16 Å²	16	77 Å²	77	10%	0.097	43%	0.43	C	S	.	.	H	α-helix	trans	-67.1	-44.6	174.4	172.7	0	0	0	0	110.4	L87 L103 L104 M109 A110 V111 V120 V122	L87-V107 HydrophobicContact CD1-CG1 4.19Å; L87-V107 HydrophobicContact CD1-CG2 3.92Å; L103-V107 HydrophobicContact CD1-CG2 4.22Å; L103-V107 HydrophobicContact CG-CG2 4.4Å; L103-V107 WeakPolarHBondContact O-CG2 3.31Å; L103-V107 PolarHBondContact O-N 3.49Å; L104-V107 PolarHBondContact O-N 3.41Å; V107-M109 PolarHBondContact O-N 3.46Å; V107-A110 PolarHBondContact O-N 2.82Å; V107-V111 HydrophobicContact CG1-CG2 4.25Å; V107-V111 WeakPolarHBondContact O-CB 3.13Å; V107-V111 VanDerWaalsContact O-CG2 3.29Å; V107-V111 WeakPolarHBondContact O-CG2 3.48Å; V107-V111 PolarHBondContact O-N 2.92Å; V107-V120 HydrophobicContact CG1-CB 4.49Å; V107-V120 HydrophobicContact CG1-CG1 4Å; V107-V122 HydrophobicContact CG1-CG2 4.07Å; V107-V122 HydrophobicContact CG2-CG2 4.21Å
108	E	68.3	Low	71.9	Confident	68 Å²	68	75.5 Å²	75.5	32%	0.318	41%	0.409	S	S	.	.	H	α-helix	trans	-57.7	-49.7	175.2	-175	177.9	-161.1	0	0	111.5	L104 A110 V111 Y112 L132 N168	L104-E108 WeakPolarHBondContact O-CB 3.39Å; L104-E108 PolarHBondContact O-N 3.42Å; E108-A110 VanDerWaalsContact C-N 3.31Å; E108-A110 PolarHBondContact O-N 3.05Å; E108-V111 PolarHBondContact O-N 2.88Å; E108-Y112 WeakPolarHBondContact O-CB 3.46Å; E108-Y112 PolarHBondContact O-N 2.77Å; E108-L132 HydrophobicContact CB-CD1 3.71Å; E108-L132 HydrophobicContact CG-CD1 3.84Å; E108-L132 HydrophobicContact CG-CD2 4.33Å; E108-N168 PolarHBondContact OE1-ND2 2.79Å
109	M	74.1	Confident	72	Confident	131 Å²	131	71 Å²	71	65%	0.645	38%	0.382	S	S	*	.	H	α-helix	trans	-61.3	-38.1	176.4	-74.5	-66.9	-69	0	0	112.3	S105 V107 A113	S105-M109 WeakPolarHBondContact O-CB 3.31Å; S105-M109 WeakPolarHBondContact O-CG 3.48Å; S105-M109 PolarHBondContact O-N 2.96Å; V107-M109 PolarHBondContact O-N 3.46Å; M109-A113 WeakPolarHBondContact O-CB 3.48Å; M109-A113 PolarHBondContact O-N 3.37Å
110	A	74.7	Confident	72.2	Confident	52 Å²	52	63.3 Å²	63.3	43%	0.43	35%	0.354	S	S	.	.	H	α-helix	trans	-68.2	-42.8	176	0	0	0	0	0	112.3	S106 V107 E108 A113 T114	S106-A110 WeakPolarHBondContact O-CB 3.46Å; S106-A110 PolarHBondContact O-N 3.18Å; V107-A110 PolarHBondContact O-N 2.82Å; E108-A110 VanDerWaalsContact C-N 3.31Å; E108-A110 PolarHBondContact O-N 3.05Å; A110-A113 PolarHBondContact O-N 3.03Å; A110-T114 WeakPolarHBondContact O-CB 3.42Å; A110-T114 VanDerWaalsContact O-CG2 3.3Å; A110-T114 WeakPolarHBondContact O-CG2 3.39Å; A110-T114 PolarHBondContact O-N 3.44Å; A110-T114 PolarHBondContact O-OG1 2.86Å
111	V	71.7	Confident	72.3	Confident	7 Å²	7	61.6 Å²	61.6	4%	0.042	35%	0.345	C	S	.	.	H	α-helix	trans	-62.7	-44.9	176.1	166.8	0	0	0	0	110.8	V107 E108 T114 R115 C116 V120 L132 A134	V107-V111 HydrophobicContact CG1-CG2 4.25Å; V107-V111 WeakPolarHBondContact O-CB 3.13Å; V107-V111 VanDerWaalsContact O-CG2 3.29Å; V107-V111 WeakPolarHBondContact O-CG2 3.48Å; V107-V111 PolarHBondContact O-N 2.92Å; E108-V111 PolarHBondContact O-N 2.88Å; V111-T114 PolarHBondContact O-OG1 3.4Å; V111-R115 WeakPolarHBondContact O-CA 3.09Å; V111-R115 PolarHBondContact O-N 2.78Å; V111-C116 PolarHBondContact O-N 3.32Å; V111-V120 HydrophobicContact CG2-CB 4.15Å; V111-V120 HydrophobicContact CG2-CG2 3.51Å; V111-L132 HydrophobicContact CG1-CD2 4.3Å; V111-A134 HydrophobicContact CG1-CB 3.36Å
112	Y	66.3	Low	72.6	Confident	184 Å²	184	58.4 Å²	58.4	72%	0.722	32%	0.322	S	S	*	.	H	α-helix	trans	-64.1	-46	176	-175.1	-98.5	0	0	0	112.3	E108 R115	E108-Y112 WeakPolarHBondContact O-CB 3.46Å; E108-Y112 PolarHBondContact O-N 2.77Å; Y112-R115 PolarHBondContact O-N 3.13Å
113	A	70.6	Confident	72.4	Confident	80 Å²	80	54.4 Å²	54.4	66%	0.661	30%	0.3	S	S	*	.	H	α-helix	trans	-66.6	-39.4	-179.9	0	0	0	0	0	113	M109 A110 R115	M109-A113 WeakPolarHBondContact O-CB 3.48Å; M109-A113 PolarHBondContact O-N 3.37Å; A110-A113 PolarHBondContact O-N 3.03Å; A113-R115 VanDerWaalsContact C-N 3.31Å
114	T	73.4	Confident	71.8	Confident	102 Å²	102	55.2 Å²	55.2	63%	0.626	30%	0.304	S	S	*	.	H	α-helix	trans	-77.6	-15.5	176.5	55.1	0	0	0	0	113.4	A110 V111 C116	A110-T114 WeakPolarHBondContact O-CB 3.42Å; A110-T114 VanDerWaalsContact O-CG2 3.3Å; A110-T114 WeakPolarHBondContact O-CG2 3.39Å; A110-T114 PolarHBondContact O-N 3.44Å; A110-T114 PolarHBondContact O-OG1 2.86Å; V111-T114 PolarHBondContact O-OG1 3.4Å; T114-C116 PolarHBondContact O-N 3.45Å
115	R	67.4	Low	71.1	Confident	170 Å²	170	59.7 Å²	59.7	64%	0.642	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	38.6	-168.5	-56.7	-176.4	-178.9	165.3	3	112.2	V111 Y112 A113 P117	V111-R115 WeakPolarHBondContact O-CA 3.09Å; V111-R115 PolarHBondContact O-N 2.78Å; Y112-R115 PolarHBondContact O-N 3.13Å; A113-R115 VanDerWaalsContact C-N 3.31Å; R115-P117 VanDerWaalsContact O-CD 3.31Å; R115-P117 WeakPolarHBondContact O-CD 3.11Å; R115-P117 VanDerWaalsContact O-N 3.17Å
116	C	65.6	Low	70.4	Confident	22 Å²	22	58.1 Å²	58.1	15%	0.149	31%	0.313	C	S	.	.			trans	-58.3	119.4	-179.8	-172.3	0	0	0	0	109.5	V111 T114 V118 A134	V111-C116 PolarHBondContact O-N 3.32Å; T114-C116 PolarHBondContact O-N 3.45Å; C116-V118 PolarHBondContact O-N 3.46Å; C116-V118 PolarHBondContact SG-O 2.84Å; C116-A134 VanDerWaalsContact O-O 3.08Å
117	P	64.9	Low	69.2	Low	100 Å²	100	57.1 Å²	57.1	65%	0.649	31%	0.305	S	S	*	.			trans	-82.6	-1.2	180	34.7	-35.6	0	0	0	112.8	R115	R115-P117 VanDerWaalsContact O-CD 3.31Å; R115-P117 WeakPolarHBondContact O-CD 3.11Å; R115-P117 VanDerWaalsContact O-N 3.17Å
118	V	71.4	Confident	68.3	Low	26 Å²	26	56.8 Å²	56.8	16%	0.158	30%	0.303	C	S	.	.	S	Bend	trans	-104.6	130.1	-176.3	177.5	0	0	0	0	108.7	Y32 F85 C116	Y32-V118 HydrophobicContact CE2-CG1 4.12Å; Y32-V118 HydrophobicContact CE2-CG2 4.49Å; F85-V118 HydrophobicContact CD2-CB 3.78Å; F85-V118 HydrophobicContact CD2-CG1 3.59Å; F85-V118 HydrophobicContact CE2-CB 3.73Å; F85-V118 HydrophobicContact CE2-CG1 3.86Å; F85-V118 HydrophobicContact CE2-CG2 4.17Å; F85-V118 HydrophobicContact CG-CG1 4.42Å; C116-V118 PolarHBondContact O-N 3.46Å; C116-V118 PolarHBondContact SG-O 2.84Å
119	P	71.7	Confident	68	Low	19 Å²	19	53.9 Å²	53.9	12%	0.123	29%	0.29	C	S	.	.			trans	-56.4	145	176.7	-25	33.8	0	0	0	113.2	L81 A84 F85 A133	L81-P119 HydrophobicContact CD1-CB 4.01Å; L81-P119 HydrophobicContact CD1-CG 3.95Å; L81-P119 HydrophobicContact CD2-CG 3.94Å; L81-P119 HydrophobicContact CG-CG 4.49Å; A84-P119 CarbonylContact C-O 3.51Å; A84-P119 WeakPolarHBondContact CA-O 3.26Å; A84-P119 HydrophobicContact CB-CB 4.47Å; F85-P119 PolarHBondContact N-O 3.46Å; P119-A133 HydrophobicContact CB-CB 3.94Å; P119-A133 HydrophobicContact CG-CB 3.95Å
120	V	73.8	Confident	67.1	Low	9 Å²	9	48.8 Å²	48.8	6%	0.055	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	115.2	179	-172.8	0	0	0	0	110.3	F85 L87 V107 V111 G131 L132	F85-V120 HydrophobicContact CB-CG1 4.4Å; F85-V120 HydrophobicContact CB-CG2 4.23Å; F85-V120 CarbonylContact O-C 3.54Å; F85-V120 WeakPolarHBondContact O-CA 3.47Å; L87-V120 HydrophobicContact CD1-CG1 3.66Å; L87-V120 HydrophobicContact CG-CG1 4.12Å; V107-V120 HydrophobicContact CG1-CB 4.49Å; V107-V120 HydrophobicContact CG1-CG1 4Å; V111-V120 HydrophobicContact CG2-CB 4.15Å; V111-V120 HydrophobicContact CG2-CG2 3.51Å; V120-G131 CarbonylContact O-C 3.59Å; V120-G131 VanDerWaalsContact O-CA 3.31Å; V120-G131 WeakPolarHBondContact O-CA 3.35Å; V120-L132 PolarHBondContact N-O 3.27Å; V120-L132 PolarHBondContact O-N 3.04Å
121	L	74.7	Confident	66.4	Low	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	142.4	168.1	-78.6	160.1	0	0	0	110.3	F72 P75 L76 A84 F85 I86 L87 Y129 F171	F72-L121 HydrophobicContact CB-CD1 4.47Å; P75-L121 HydrophobicContact CB-CD2 4.42Å; L76-L121 HydrophobicContact CD1-CD1 4.18Å; L76-L121 HydrophobicContact CD2-CD1 3.68Å; L76-L121 HydrophobicContact CG-CD1 3.9Å; A84-L121 HydrophobicContact CB-CD1 4.29Å; F85-L121 WeakPolarHBondContact O-CB 3.33Å; F85-L121 PolarHBondContact O-N 2.91Å; I86-L121 HydrophobicContact CB-CB 4.48Å; I86-L121 HydrophobicContact CG1-CB 4.15Å; I86-L121 HydrophobicContact CG1-CD1 3.8Å; L87-L121 WeakPolarHBondContact CB-O 3.32Å; L87-L121 PolarHBondContact N-O 3.38Å; L121-Y129 HydrophobicContact CD2-CD1 4.29Å; L121-Y129 HydrophobicContact CD2-CG 4.29Å; L121-F171 HydrophobicContact CD2-CE2 3.36Å; L121-F171 HydrophobicContact CD2-CZ 3.41Å; L121-F171 VanDerWaalsContact CD2-CZ 3.41Å; L121-F171 HydrophobicContact CG-CE2 4.46Å; L121-F171 HydrophobicContact CG-CZ 4.05Å
122	V	74	Confident	65.6	Low	1 Å²	1	46.1 Å²	46.1	1%	0.006	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	115	175.2	-173.4	0	0	0	0	109	L87 L103 L104 V107 Y129 F130	L87-V122 HydrophobicContact CB-CG2 4.32Å; L87-V122 HydrophobicContact CD1-CG2 4.18Å; L87-V122 WeakPolarHBondContact O-CA 3.48Å; L103-V122 HydrophobicContact CD2-CG1 3.86Å; L104-V122 HydrophobicContact CD2-CB 4.25Å; L104-V122 HydrophobicContact CD2-CG1 4.22Å; L104-V122 HydrophobicContact CD2-CG2 4.37Å; V107-V122 HydrophobicContact CG1-CG2 4.07Å; V107-V122 HydrophobicContact CG2-CG2 4.21Å; V122-Y129 WeakPolarHBondContact O-CA 3.26Å; V122-F130 CarbonylContact C-O 3.38Å; V122-F130 WeakPolarHBondContact CA-O 3.37Å; V122-F130 PolarHBondContact N-O 2.89Å; V122-F130 PolarHBondContact O-N 3.5Å; V122-F130 VanDerWaalsContact O-O 3.04Å
123	E	73.5	Confident	64.9	Low	18 Å²	18	38.2 Å²	38.2	8%	0.084	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	128.8	171.4	-164.4	174.4	130.5	0	0	109.1	L87 K88 P89 G126 Y129	L87-E123 PolarHBondContact O-N 3.48Å; K88-E123 HydrophobicContact CB-CB 4.43Å; K88-E123 HydrophobicContact CG-CB 4.39Å; K88-E123 IonicContact NZ-OE1 2.9Å; K88-E123 PolarHBondContact NZ-OE1 3.34Å; K88-E123 IonicContact NZ-OE2 3.3Å; K88-E123 PolarHBondContact NZ-OE2 3.02Å; P89-E123 VanDerWaalsContact CD-O 3.32Å; P89-E123 WeakPolarHBondContact CD-O 3.41Å; E123-G126 WeakPolarHBondContact CG-O 3.36Å; E123-Y129 HydrophobicContact CB-CD1 3.93Å; E123-Y129 HydrophobicContact CB-CE1 3.61Å; E123-Y129 HydrophobicContact CG-CD1 4.31Å; E123-Y129 HydrophobicContact CG-CE1 3.81Å; E123-Y129 WeakPolarHBondContact OE2-CE1 3.46Å; E123-Y129 PolarHBondContact OE2-OH 3.11Å
124	H	67.1	Low	63.8	Low	26 Å²	26	35.3 Å²	35.3	12%	0.12	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	-31.6	-175.9	64.9	83.7	0	0	0	116.1	I94 L100 S128 F130	I94-H124 HydrophobicContact CB-CB 4.36Å; I94-H124 WeakPolarHBondContact CB-O 3.41Å; I94-H124 HydrophobicContact CD1-CB 3.99Å; I94-H124 HydrophobicContact CG1-CB 4.5Å; I94-H124 PolarHBondContact N-O 2.89Å; L100-H124 HydrophobicContact CD1-CB 3.53Å; H124-S128 PolarHBondContact N-O 2.91Å; H124-S128 VanDerWaalsContact N-O 3.14Å; H124-F130 PolarHBondContact CD2-N 3.29Å
125	Y	60.4	Low	62.2	Low	116 Å²	116	34.1 Å²	34.1	46%	0.455	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	101.5	-177.3	-172.8	-95.6	0	0	0	111.1	S128	Y125-S128 WeakPolarHBondContact O-CB 3.31Å; Y125-S128 PolarHBondContact O-N 3.47Å; Y125-S128 PolarHBondContact O-OG 2.86Å
126	G	57	Low	60.6	Low	23 Å²	23	28.6 Å²	28.6	24%	0.237	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.2	-134.9	-166.5	0	0	0	0	0	110.1	E93 E123 S128	E93-G126 PolarHBondContact OE1-N 3.22Å; E123-G126 WeakPolarHBondContact CG-O 3.36Å; G126-S128 PolarHBondContact O-N 3.48Å; G126-S128 VanDerWaalsContact O-N 3.13Å
127	P	54.5	Low	59.1	Low	30 Å²	30	32.5 Å²	32.5	20%	0.195	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	21.2	179.8	40.8	-40.6	0	0	0	113.8	F68 Y129	F68-P127 HydrophobicContact CB-CB 3.63Å; F68-P127 HydrophobicContact CB-CG 3.53Å; F68-P127 WeakPolarHBondContact O-CB 3.43Å; P127-Y129 WeakPolarHBondContact O-CD2 3.44Å; P127-Y129 WeakPolarHBondContact O-CE2 3.3Å
128	S	58.7	Low	57.3	Low	8 Å²	8	34.6 Å²	34.6	6%	0.056	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	126.8	175.7	-39.8	0	0	0	0	110.4	H124 Y125 G126	H124-S128 PolarHBondContact N-O 2.91Å; H124-S128 VanDerWaalsContact N-O 3.14Å; Y125-S128 WeakPolarHBondContact O-CB 3.31Å; Y125-S128 PolarHBondContact O-N 3.47Å; Y125-S128 PolarHBondContact O-OG 2.86Å; G126-S128 PolarHBondContact O-N 3.48Å; G126-S128 VanDerWaalsContact O-N 3.13Å
129	Y	61.6	Low	55.1	Low	8 Å²	8	40.5 Å²	40.5	3%	0.031	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	138.2	179.2	-63.6	-83.2	0	0	0	111.7	F72 P75 L121 V122 E123 P127 S173	F72-Y129 HydrophobicContact CB-CE1 4.14Å; F72-Y129 HydrophobicContact CB-CE2 4.2Å; P75-Y129 HydrophobicContact CG-CD2 4.5Å; L121-Y129 HydrophobicContact CD2-CD1 4.29Å; L121-Y129 HydrophobicContact CD2-CG 4.29Å; V122-Y129 WeakPolarHBondContact O-CA 3.26Å; E123-Y129 HydrophobicContact CB-CD1 3.93Å; E123-Y129 HydrophobicContact CB-CE1 3.61Å; E123-Y129 HydrophobicContact CG-CD1 4.31Å; E123-Y129 HydrophobicContact CG-CE1 3.81Å; E123-Y129 WeakPolarHBondContact OE2-CE1 3.46Å; E123-Y129 PolarHBondContact OE2-OH 3.11Å; P127-Y129 WeakPolarHBondContact O-CD2 3.44Å; P127-Y129 WeakPolarHBondContact O-CE2 3.3Å; Y129-S173 PolarHBondContact N-OG 3.34Å; Y129-S173 PolarHBondContact O-N 2.79Å; Y129-S173 PolarHBondContact O-OG 3.09Å
130	F	56.6	Low	53.3	Low	24 Å²	24	44.5 Å²	44.5	11%	0.105	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	142.8	153.5	175.2	-86.1	0	0	0	107.1	L104 V122 H124 L132 D170 F171 T172	L104-F130 HydrophobicContact CB-CE1 4.29Å; L104-F130 HydrophobicContact CD1-CB 4.24Å; L104-F130 HydrophobicContact CD1-CD1 3.79Å; L104-F130 HydrophobicContact CD1-CD2 3.56Å; L104-F130 HydrophobicContact CD1-CE1 3.95Å; L104-F130 HydrophobicContact CD1-CE2 3.76Å; L104-F130 HydrophobicContact CD1-CG 3.58Å; L104-F130 HydrophobicContact CD1-CZ 3.95Å; L104-F130 HydrophobicContact CD2-CB 4.09Å; L104-F130 HydrophobicContact CD2-CD1 3.3Å; L104-F130 HydrophobicContact CD2-CE1 3.79Å; L104-F130 HydrophobicContact CD2-CG 3.74Å; L104-F130 HydrophobicContact CG-CD1 4.04Å; L104-F130 HydrophobicContact CG-CE1 4.19Å; L104-F130 HydrophobicContact CG-CG 4.27Å; V122-F130 CarbonylContact C-O 3.38Å; V122-F130 WeakPolarHBondContact CA-O 3.37Å; V122-F130 PolarHBondContact N-O 2.89Å; V122-F130 PolarHBondContact O-N 3.5Å; V122-F130 VanDerWaalsContact O-O 3.04Å; H124-F130 PolarHBondContact CD2-N 3.29Å; F130-L132 HydrophobicContact CE1-CB 4.07Å; F130-L132 HydrophobicContact CE1-CD1 3.97Å; F130-L132 HydrophobicContact CZ-CD1 4.23Å; F130-D170 HydrophobicContact CE2-CB 4.38Å; F130-D170 HydrophobicContact CZ-CB 4.27Å; F130-F171 CarbonylContact C-O 3.55Å; F130-F171 WeakPolarHBondContact CA-O 3.33Å; F130-T172 HydrophobicContact CD2-CG2 3.77Å; F130-T172 HydrophobicContact CE2-CG2 4.17Å
131	G	59.9	Low	51.3	Low	0 Å²	0	47.1 Å²	47.1	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	154.7	173.5	0	0	0	0	0	113.1	V120 F171	V120-G131 CarbonylContact O-C 3.59Å; V120-G131 VanDerWaalsContact O-CA 3.31Å; V120-G131 WeakPolarHBondContact O-CA 3.35Å; G131-F171 VanDerWaalsContact C-CE1 3.43Å; G131-F171 VanDerWaalsContact CA-CZ 3.48Å; G131-F171 PolarHBondContact N-O 3.13Å; G131-F171 VanDerWaalsContact O-CD1 3.27Å; G131-F171 WeakPolarHBondContact O-CD1 3.37Å; G131-F171 PolarHBondContact O-N 2.79Å
132	L	55.3	Low	49.1	Very low	3 Å²	3	51.3 Å²	51.3	2%	0.016	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	110	-168.5	-159.7	148.6	0	0	0	108.4	E108 V111 V120 F130 N168	E108-L132 HydrophobicContact CB-CD1 3.71Å; E108-L132 HydrophobicContact CG-CD1 3.84Å; E108-L132 HydrophobicContact CG-CD2 4.33Å; V111-L132 HydrophobicContact CG1-CD2 4.3Å; V120-L132 PolarHBondContact N-O 3.27Å; V120-L132 PolarHBondContact O-N 3.04Å; F130-L132 HydrophobicContact CE1-CB 4.07Å; F130-L132 HydrophobicContact CE1-CD1 3.97Å; F130-L132 HydrophobicContact CZ-CD1 4.23Å; L132-N168 HydrophobicContact CD2-CB 4.46Å
133	A	51.8	Low	47.1	Very low	18 Å²	18	57.5 Å²	57.5	15%	0.149	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	126.4	173	0	0	0	0	0	109.5	P119 N168 I169	P119-A133 HydrophobicContact CB-CB 3.94Å; P119-A133 HydrophobicContact CG-CB 3.95Å; A133-N168 VanDerWaalsContact O-CA 3.27Å; A133-N168 WeakPolarHBondContact O-CA 3.4Å; A133-I169 HydrophobicContact CB-CB 4.41Å; A133-I169 PolarHBondContact N-O 2.82Å; A133-I169 PolarHBondContact O-N 3.34Å
134	A	45.8	Very low	44.9	Very low	18 Å²	18	61.1 Å²	61.1	15%	0.149	35%	0.346	C	S	.	.			trans	-122.5	134.1	169.8	0	0	0	0	0	110	V111 C116	V111-A134 HydrophobicContact CG1-CB 3.36Å; C116-A134 VanDerWaalsContact O-O 3.08Å
135	S	41.5	Very low	43	Very low	78 Å²	78	66.2 Å²	66.2	55%	0.545	37%	0.374	S	S	.	.			trans	-101	133.1	172	63.6	0	0	0	0	110.4	C137	S135-C137 PolarHBondContact O-N 3.22Å
136	S	33.5	Very low	41.4	Very low	54 Å²	54	70.3 Å²	70.3	38%	0.378	39%	0.39	S	S	.	.			trans	-68.8	127	170.8	175.9	0	0	0	0	109.6	L138	S136-L138 PolarHBondContact O-N 3Å
137	C	32.9	Very low	40	Very low	104 Å²	104	75.2 Å²	75.2	70%	0.703	41%	0.411	S	S	*	.			trans	-61	106.5	165.3	-70.4	0	0	0	0	109.5	S135 K139	S135-C137 PolarHBondContact O-N 3.22Å; C137-K139 PolarHBondContact O-N 2.89Å
138	L	27.2	Very low	38.7	Very low	143 Å²	143	81.4 Å²	81.4	75%	0.749	44%	0.436	S	S	*	.			trans	-59.9	133.4	155.6	-76.6	167.1	0	0	0	107.5	S136	S136-L138 PolarHBondContact O-N 3Å
139	K	26.7	Very low	37.2	Very low	150 Å²	150	87.8 Å²	87.8	65%	0.652	47%	0.47	S	S	*	.			trans	-70.9	143.5	-177.7	-70.5	-178.9	177.9	179.5	0	109.3	C137 S141 D142	C137-K139 PolarHBondContact O-N 2.89Å; K139-S141 PolarHBondContact O-N 3.28Å; K139-D142 PolarHBondContact O-N 2.86Å
140	S	33.5	Very low	35.5	Very low	103 Å²	103	94.5 Å²	94.5	72%	0.72	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-12.1	179.8	53.8	0	0	0	0	114.8	D142 Y143	S140-D142 PolarHBondContact O-N 3.08Å; S140-Y143 PolarHBondContact O-N 2.71Å
141	S	30.5	Very low	34	Very low	64 Å²	64	98.7 Å²	98.7	45%	0.448	53%	0.534	S	S	.	.	H	α-helix	trans	-61.8	-28.5	173.9	51.5	0	0	0	0	113.9	K139 Y143 T144	K139-S141 PolarHBondContact O-N 3.28Å; S141-Y143 VanDerWaalsContact C-N 3.31Å; S141-T144 PolarHBondContact O-OG1 3.26Å; S141-T144 VanDerWaalsContact O-OG1 3.13Å
142	D	30.1	Very low	32.3	Very low	88 Å²	88	105.1 Å²	105.1	47%	0.471	57%	0.568	S	S	.	*	H	α-helix	trans	-85.8	-11.8	-172.4	-56.2	-9.3	0	0	0	111.4	K139 S140	K139-D142 PolarHBondContact O-N 2.86Å; S140-D142 PolarHBondContact O-N 3.08Å
143	Y	30.7	Very low	30.8	Very low	132 Å²	132	112.2 Å²	112.2	52%	0.518	61%	0.606	S	S	.	*	H	α-helix	trans	-70.3	-35.6	174	-89.8	-89.3	0	0	0	113.3	S140 S141 L147	S140-Y143 PolarHBondContact O-N 2.71Å; S141-Y143 VanDerWaalsContact C-N 3.31Å; Y143-L147 PolarHBondContact O-N 2.89Å
144	T	28.7	Very low	29.5	Very low	93 Å²	93	118.1 Å²	118.1	57%	0.571	64%	0.64	S	S	*	*	H	α-helix	trans	-73.6	-30.9	-173.2	46.7	0	0	0	0	113.3	S141	S141-T144 PolarHBondContact O-OG1 3.26Å; S141-T144 VanDerWaalsContact O-OG1 3.13Å
145	N	26.4	Very low	28.4	Very low	133 Å²	133	122.3 Å²	122.3	71%	0.711	67%	0.668	S	S	*	*	H	α-helix	trans	-79	-25.8	178	-74.4	1	0	0	0	112.9
146	Y	26.9	Very low	27.7	Very low	202 Å²	202	123.8 Å²	123.8	79%	0.792	68%	0.678	S	S	*	*	H	α-helix	trans	-83.6	-27	177.3	-91.5	-81.4	0	0	0	113.9
147	L	28.2	Very low	27.3	Very low	127 Å²	127	126.1 Å²	126.1	67%	0.665	70%	0.695	S	S	*	*	H	α-helix	trans	-77.7	-17.3	-179.5	-93.1	160	0	0	0	114.6	Y143	Y143-L147 PolarHBondContact O-N 2.89Å
148	H	26.7	Very low	26.9	Very low	159 Å²	159	127.1 Å²	127.1	74%	0.736	69%	0.692	S	S	*	*	S	Bend	trans	-89.8	-13.4	-173.7	-120.1	-61.4	0	0	0	115.7
149	N	26.2	Very low	27	Very low	143 Å²	143	124.4 Å²	124.4	77%	0.765	69%	0.685	S	S	*	*	S	Bend	trans	-117.2	3.7	-172	-88.8	13.3	0	0	0	115.8
150	N	25.7	Very low	27.1	Very low	148 Å²	148	122.6 Å²	122.6	79%	0.791	69%	0.687	S	S	*	*			trans	-137	76.2	170.4	-92.5	-25.1	0	0	0	110.3
151	V	25.4	Very low	26.8	Very low	112 Å²	112	122.6 Å²	122.6	68%	0.679	69%	0.687	S	S	*	*			trans	-82.5	125.7	164.1	177.3	0	0	0	0	107.3
152	N	23.6	Very low	26.7	Very low	135 Å²	135	126.1 Å²	126.1	72%	0.722	70%	0.701	S	S	*	*	S	Bend	trans	90.2	134.2	179.7	-50.4	-30.2	0	0	0	117
153	N	24.5	Very low	26.6	Very low	152 Å²	152	131.2 Å²	131.2	81%	0.813	71%	0.714	S	S	*	*	S	Bend	trans	78.9	43.6	159.7	-56.9	-1.6	0	0	0	121.2
154	V	25	Very low	26.5	Very low	143 Å²	143	131.8 Å²	131.8	87%	0.867	72%	0.724	S	S	*	*			trans	-144	83.6	141	-169	0	0	0	0	111.1
155	S	23.2	Very low	26.6	Very low	105 Å²	105	129.2 Å²	129.2	73%	0.734	72%	0.716	S	S	*	*			trans	-123.3	122.7	169.3	47.6	0	0	0	0	109.9
156	S	26.6	Very low	26.7	Very low	109 Å²	109	127.1 Å²	127.1	76%	0.762	71%	0.712	S	S	*	*	S	Bend	trans	64.1	117.5	-161.6	76	0	0	0	0	112.4
157	S	24.3	Very low	27.3	Very low	103 Å²	103	119.8 Å²	119.8	72%	0.72	69%	0.686	S	S	*	*	S	Bend		-151.9	18	53.9	51.9	0	0	0	0	115.5
158	L	25.6	Very low	28	Very low	125 Å²	125	115.1 Å²	115.1	65%	0.654	66%	0.662	S	S	*	*	S	Bend	trans	-103.1	19.2	-175.7	-120.1	81.4	0	0	0	116
159	S	27.9	Very low	29	Very low	86 Å²	86	110.6 Å²	110.6	60%	0.601	64%	0.642	S	S	*	*			trans	-102.7	23.9	-157.3	55.9	0	0	0	0	118.1
160	T	28.7	Very low	30.4	Very low	112 Å²	112	104.9 Å²	104.9	69%	0.687	61%	0.612	S	S	*	*	S	Bend	trans	-123.7	-25.9	177.7	47	0	0	0	0	117
161	S	28.8	Very low	31.9	Very low	104 Å²	104	98.1 Å²	98.1	73%	0.727	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	-21.6	178.2	52.8	0	0	0	0	114.6
162	N	28.3	Very low	33.4	Very low	138 Å²	138	95.2 Å²	95.2	74%	0.738	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.8	28.4	178.7	-79.5	-15.3	0	0	0	113.7	I164	N162-I164 VanDerWaalsContact C-N 3.29Å; N162-I164 PolarHBondContact O-N 2.85Å
163	R	27.2	Very low	35.1	Very low	195 Å²	195	89.2 Å²	89.2	74%	0.736	53%	0.527	S	S	*	.			trans	-75.6	81.8	174.8	-77.9	-168.5	176.7	-163.9	-0.4	112.1	G165	R163-G165 PolarHBondContact O-N 2.76Å
164	I	29.4	Very low	36.8	Very low	144 Å²	144	83.6 Å²	83.6	74%	0.738	50%	0.499	S	S	*	.			trans	10	107.8	141	-57.1	162.2	0	0	0	114.4	N162	N162-I164 VanDerWaalsContact C-N 3.29Å; N162-I164 PolarHBondContact O-N 2.85Å
165	G	29.4	Very low	38.5	Very low	38 Å²	38	79.5 Å²	79.5	39%	0.392	47%	0.468	S	S	.	.			trans	-172.8	140.5	167.9	0	0	0	0	0	109.3	R163 L167	R163-G165 PolarHBondContact O-N 2.76Å; G165-L167 PolarHBondContact O-N 3.46Å
166	S	30	Very low	40.3	Very low	90 Å²	90	77.6 Å²	77.6	63%	0.629	45%	0.448	S	S	*	.			trans	-72.9	70.5	177.4	35.9	0	0	0	0	111	N168	S166-N168 PolarHBondContact O-N 2.78Å
167	L	39.4	Very low	41.9	Very low	47 Å²	47	78.5 Å²	78.5	25%	0.246	44%	0.441	C	S	.	.			trans	-92.4	95.5	-175.4	-74.7	161	0	0	0	110	G165 I169 R835	G165-L167 PolarHBondContact O-N 3.46Å; L167-I169 VanDerWaalsContact C-N 3.26Å; L167-I169 HydrophobicContact CB-CG1 3.89Å; L167-I169 PolarHBondContact O-N 2.7Å; L167-I169 VanDerWaalsContact O-N 3.09Å; L167-R835 HydrophobicContact CD2-CB 4.24Å
168	N	41.4	Very low	43.8	Very low	30 Å²	30	75.8 Å²	75.8	16%	0.16	43%	0.429	C	S	.	.			trans	-64.8	103.7	142	-58.4	-5.9	0	0	0	105.3	E108 L132 A133 S166 D170 R835	E108-N168 PolarHBondContact OE1-ND2 2.79Å; L132-N168 HydrophobicContact CD2-CB 4.46Å; A133-N168 VanDerWaalsContact O-CA 3.27Å; A133-N168 WeakPolarHBondContact O-CA 3.4Å; S166-N168 PolarHBondContact O-N 2.78Å; N168-D170 PolarHBondContact O-N 3.43Å; N168-R835 VanDerWaalsContact CB-NH1 3.29Å
169	I	49.3	Very low	45.6	Very low	64 Å²	64	79 Å²	79	33%	0.328	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	94.1	164.8	-54.5	-174.3	0	0	0	105.1	A133 L167	A133-I169 HydrophobicContact CB-CB 4.41Å; A133-I169 PolarHBondContact N-O 2.82Å; A133-I169 PolarHBondContact O-N 3.34Å; L167-I169 VanDerWaalsContact C-N 3.26Å; L167-I169 HydrophobicContact CB-CG1 3.89Å; L167-I169 PolarHBondContact O-N 2.7Å; L167-I169 VanDerWaalsContact O-N 3.09Å
170	D	54.8	Low	47.6	Very low	22 Å²	22	75.9 Å²	75.9	12%	0.118	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	123.1	166.5	-53.3	-38.5	0	0	0	106.9	F130 N168 F863	F130-D170 HydrophobicContact CE2-CB 4.38Å; F130-D170 HydrophobicContact CZ-CB 4.27Å; N168-D170 PolarHBondContact O-N 3.43Å; D170-F863 PolarHBondContact O-N 2.76Å
171	F	57.7	Low	49.7	Very low	7 Å²	7	76.5 Å²	76.5	3%	0.031	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	129.6	173.8	63.4	-92.2	0	0	0	110.5	P75 F79 L121 F130 G131 G861	P75-F171 HydrophobicContact CB-CE2 4.08Å; F79-F171 HydrophobicContact CD2-CD1 4.45Å; F79-F171 HydrophobicContact CD2-CD2 4.31Å; F79-F171 HydrophobicContact CD2-CG 4.22Å; F79-F171 HydrophobicContact CE2-CB 3.72Å; F79-F171 HydrophobicContact CE2-CD1 4.33Å; F79-F171 AromaticContact CE2-CD2 3.77Å; F79-F171 HydrophobicContact CE2-CD2 3.77Å; F79-F171 HydrophobicContact CE2-CE2 4.4Å; F79-F171 AromaticContact CE2-CG 3.7Å; F79-F171 HydrophobicContact CE2-CG 3.7Å; F79-F171 HydrophobicContact CZ-CB 3.79Å; F79-F171 HydrophobicContact CZ-CG 4.28Å; L121-F171 HydrophobicContact CD2-CE2 3.36Å; L121-F171 HydrophobicContact CD2-CZ 3.41Å; L121-F171 VanDerWaalsContact CD2-CZ 3.41Å; L121-F171 HydrophobicContact CG-CE2 4.46Å; L121-F171 HydrophobicContact CG-CZ 4.05Å; F130-F171 CarbonylContact C-O 3.55Å; F130-F171 WeakPolarHBondContact CA-O 3.33Å; G131-F171 VanDerWaalsContact C-CE1 3.43Å; G131-F171 VanDerWaalsContact CA-CZ 3.48Å; G131-F171 PolarHBondContact N-O 3.13Å; G131-F171 VanDerWaalsContact O-CD1 3.27Å; G131-F171 WeakPolarHBondContact O-CD1 3.37Å; G131-F171 PolarHBondContact O-N 2.79Å; F171-G861 WeakPolarHBondContact CA-O 3.45Å
172	T	56.2	Low	51.7	Low	51 Å²	51	75 Å²	75	31%	0.313	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	133.6	-179.1	50.6	0	0	0	0	108.9	F130 A860 G861	F130-T172 HydrophobicContact CD2-CG2 3.77Å; F130-T172 HydrophobicContact CE2-CG2 4.17Å; T172-A860 WeakPolarHBondContact O-CA 3.42Å; T172-G861 PolarHBondContact N-O 3.37Å; T172-G861 PolarHBondContact O-N 3.28Å
173	S	59.3	Low	53.8	Low	9 Å²	9	71.4 Å²	71.4	6%	0.063	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	136.8	162.5	57.5	0	0	0	0	109.9	Y129 M859	Y129-S173 PolarHBondContact N-OG 3.34Å; Y129-S173 PolarHBondContact O-N 2.79Å; Y129-S173 PolarHBondContact O-OG 3.09Å; S173-M859 CarbonylContact C-O 3.59Å; S173-M859 VanDerWaalsContact CA-O 3.31Å; S173-M859 WeakPolarHBondContact CA-O 3.5Å
174	C	59.9	Low	56.1	Low	33 Å²	33	62.7 Å²	62.7	22%	0.223	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	141.4	-180	-174.1	0	0	0	0	110.1	L858 M859	C174-L858 WeakPolarHBondContact O-CA 3.49Å; C174-M859 PolarHBondContact N-O 3.2Å; C174-M859 PolarHBondContact O-N 3.25Å
175	R	60.8	Low	58.3	Low	58 Å²	58	56.9 Å²	56.9	22%	0.219	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	123.1	173.6	-171.2	-175.5	-167.6	175.3	21.6	110	D67 E177 N856 L858	D67-R175 IonicContact OD1-CZ 3.23Å; D67-R175 IonicContact OD1-NE 3.91Å; D67-R175 IonicContact OD1-NH1 3.01Å; D67-R175 IonicContact OD1-NH2 2.74Å; D67-R175 PolarHBondContact OD1-NH2 3.38Å; D67-R175 IonicContact OD2-NH2 2.71Å; R175-E177 VanDerWaalsContact CD-OE1 3.3Å; R175-E177 WeakPolarHBondContact CD-OE1 3.48Å; R175-E177 HydrophobicContact CG-CG 4.06Å; R175-E177 IonicContact CZ-OE1 2.71Å; R175-E177 IonicContact NE-OE1 3.08Å; R175-E177 PolarHBondContact NE-OE1 2.88Å; R175-E177 VanDerWaalsContact NE-OE1 3.08Å; R175-E177 IonicContact NH1-OE1 3.59Å; R175-E177 PolarHBondContact NH1-OE1 3.37Å; R175-E177 IonicContact NH2-OE1 3.97Å; R175-N856 PolarHBondContact NH2-ND2 2.99Å; R175-L858 HydrophobicContact CB-CD2 3.62Å; R175-L858 HydrophobicContact CG-CD2 3.7Å; R175-L858 HydrophobicContact CG-CG 4.16Å
176	I	60.9	Low	60.7	Low	64 Å²	64	56.4 Å²	56.4	33%	0.328	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	119.4	169.3	-57.7	177.7	0	0	0	107.7	N856 L857 M859	I176-N856 WeakPolarHBondContact O-CA 3.36Å; I176-L857 HydrophobicContact CB-CB 4.38Å; I176-L857 HydrophobicContact CD1-CD2 4.24Å; I176-L857 PolarHBondContact N-O 3.17Å; I176-L857 PolarHBondContact O-N 3.37Å; I176-M859 HydrophobicContact CD1-CE 3.91Å
177	E	60.5	Low	63.1	Low	128 Å²	128	52.1 Å²	52.1	60%	0.598	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.4	125.9	173.2	-61.1	-177.8	177.5	0	0	108.5	R175	R175-E177 VanDerWaalsContact CD-OE1 3.3Å; R175-E177 WeakPolarHBondContact CD-OE1 3.48Å; R175-E177 HydrophobicContact CG-CG 4.06Å; R175-E177 IonicContact CZ-OE1 2.71Å; R175-E177 IonicContact NE-OE1 3.08Å; R175-E177 PolarHBondContact NE-OE1 2.88Å; R175-E177 VanDerWaalsContact NE-OE1 3.08Å; R175-E177 IonicContact NH1-OE1 3.59Å; R175-E177 PolarHBondContact NH1-OE1 3.37Å; R175-E177 IonicContact NH2-OE1 3.97Å
178	G	65.2	Low	65.1	Low	46 Å²	46	51.5 Å²	51.5	47%	0.474	29%	0.287	S	S	.	.	S	Bend	trans	127.6	-142.2	177.6	0	0	0	0	0	114.3	I180 K855	G178-I180 PolarHBondContact O-N 3.4Å; G178-I180 VanDerWaalsContact O-N 3.11Å; G178-K855 PolarHBondContact N-O 3.21Å
179	E	63.3	Low	66.9	Low	194 Å²	194	50.1 Å²	50.1	91%	0.907	28%	0.28	S	S	*	.			trans	-73.3	99.4	178.1	-70.6	-171.1	168.6	0	0	111.1
180	I	69.9	Low	68.4	Low	20 Å²	20	47 Å²	47	10%	0.103	26%	0.264	C	S	.	.			trans	-72.2	127.7	172.8	-64.2	162.7	0	0	0	108.9	G178 C184 T185 N856 L857	G178-I180 PolarHBondContact O-N 3.4Å; G178-I180 VanDerWaalsContact O-N 3.11Å; I180-C184 HydrophobicContact CG2-CB 3.68Å; I180-T185 HydrophobicContact CG2-CG2 4.16Å; I180-N856 VanDerWaalsContact CD1-C 3.48Å; I180-L857 HydrophobicContact CD1-CB 3.86Å; I180-L857 HydrophobicContact CG1-CB 3.99Å; I180-L857 HydrophobicContact CG2-CB 4.43Å; I180-L857 HydrophobicContact CG2-CD2 4.24Å
181	L	71.9	Confident	69.7	Low	124 Å²	124	49.2 Å²	49.2	65%	0.649	27%	0.273	S	S	*	.			trans	-56.5	139.4	176.1	-65.4	168.3	0	0	0	111	N183 C184	L181-N183 WeakPolarHBondContact CB-OD1 3.37Å; L181-N183 PolarHBondContact O-N 3.36Å; L181-N183 VanDerWaalsContact O-N 3.13Å; L181-C184 WeakPolarHBondContact O-CB 3.46Å; L181-C184 PolarHBondContact O-N 3.41Å
182	A	71	Confident	70.5	Confident	73 Å²	73	53.8 Å²	53.8	60%	0.603	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-59.3	-30.7	-173	0	0	0	0	0	113.9	C184 T185 H186	A182-C184 VanDerWaalsContact C-N 3.28Å; A182-C184 PolarHBondContact O-N 3.06Å; A182-T185 PolarHBondContact O-N 3.28Å; A182-T185 PolarHBondContact O-OG1 2.68Å; A182-H186 PolarHBondContact O-CE1 3.42Å; A182-H186 PolarHBondContact O-ND1 3.21Å; A182-H186 VanDerWaalsContact O-ND1 3.13Å
183	N	72	Confident	71.2	Confident	62 Å²	62	52.9 Å²	52.9	33%	0.332	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-66.1	-26.1	174.6	62	-21.1	0	0	0	113.4	L181 T185 G189 L190	L181-N183 WeakPolarHBondContact CB-OD1 3.37Å; L181-N183 PolarHBondContact O-N 3.36Å; L181-N183 VanDerWaalsContact O-N 3.13Å; N183-T185 VanDerWaalsContact C-N 3.26Å; N183-T185 PolarHBondContact O-N 3.13Å; N183-G189 CarbonylContact O-C 3.57Å; N183-G189 VanDerWaalsContact O-CA 3.28Å; N183-G189 WeakPolarHBondContact O-CA 3.5Å; N183-L190 PolarHBondContact O-N 2.88Å
184	C	75	Confident	71.8	Confident	12 Å²	12	52.5 Å²	52.5	8%	0.081	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-79.3	-4.5	175.4	-59.3	0	0	0	0	113.7	I180 L181 A182 L190 I193 L857	I180-C184 HydrophobicContact CG2-CB 3.68Å; L181-C184 WeakPolarHBondContact O-CB 3.46Å; L181-C184 PolarHBondContact O-N 3.41Å; A182-C184 VanDerWaalsContact C-N 3.28Å; A182-C184 PolarHBondContact O-N 3.06Å; C184-L190 HydrophobicContact CB-CD2 4.19Å; C184-L190 WeakPolarHBondContact O-CD2 3.41Å; C184-I193 VanDerWaalsContact SG-CD1 3.5Å; C184-L857 HydrophobicContact CB-CD2 3.76Å
185	T	75.4	Confident	72.4	Confident	23 Å²	23	51.6 Å²	51.6	14%	0.141	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-94.9	-1.4	-175.3	69.8	0	0	0	0	114.3	I180 A182 N183 Y854	I180-T185 HydrophobicContact CG2-CG2 4.16Å; A182-T185 PolarHBondContact O-N 3.28Å; A182-T185 PolarHBondContact O-OG1 2.68Å; N183-T185 VanDerWaalsContact C-N 3.26Å; N183-T185 PolarHBondContact O-N 3.13Å; T185-Y854 HydrophobicContact CG2-CD2 3.72Å; T185-Y854 HydrophobicContact CG2-CE2 4.22Å
186	H	79.8	Confident	72.5	Confident	27 Å²	27	52.3 Å²	52.3	13%	0.125	29%	0.288	C	S	.	.	S	Bend	trans	-146.8	154.1	-173.9	60.3	-113.1	0	0	0	111.9	A182 S188 G189 L190 E269	A182-H186 PolarHBondContact O-CE1 3.42Å; A182-H186 PolarHBondContact O-ND1 3.21Å; A182-H186 VanDerWaalsContact O-ND1 3.13Å; H186-S188 PolarHBondContact CD2-OG 3.47Å; H186-S188 PolarHBondContact NE2-OG 3.41Å; H186-S188 PolarHBondContact O-N 3.12Å; H186-G189 PolarHBondContact CD2-N 2.98Å; H186-G189 PolarHBondContact NE2-N 2.66Å; H186-G189 PolarHBondContact O-N 3Å; H186-L190 WeakPolarHBondContact O-CG 3.33Å; H186-L190 PolarHBondContact O-N 2.99Å; H186-L190 VanDerWaalsContact O-N 3.14Å; H186-E269 PolarHBondContact ND1-O 2.89Å
187	L	81.9	Confident	72.6	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-64	-31.8	-169.5	-85.1	169.7	0	0	0	114.9	K191 I213 V262 I267 S272 Y820 F822	L187-K191 WeakPolarHBondContact O-CB 3.28Å; L187-K191 PolarHBondContact O-N 3.28Å; L187-I213 HydrophobicContact CD2-CG2 3.95Å; L187-V262 HydrophobicContact CD1-CG1 3.99Å; L187-I267 HydrophobicContact CB-CG2 4.2Å; L187-S272 WeakPolarHBondContact CG-OG 3.27Å; L187-Y820 HydrophobicContact CD1-CE1 4.29Å; L187-Y820 HydrophobicContact CD2-CD1 3.55Å; L187-Y820 HydrophobicContact CD2-CE1 3.66Å; L187-Y820 HydrophobicContact CD2-CG 4.28Å; L187-Y820 HydrophobicContact CG-CD1 4.41Å; L187-Y820 HydrophobicContact CG-CE1 4.02Å; L187-F822 HydrophobicContact CD2-CZ 3.88Å
188	S	81.3	Confident	72.7	Confident	33 Å²	33	46 Å²	46	23%	0.231	26%	0.257	C	S	.	.	H	α-helix	trans	-67	-45	178.3	48.6	0	0	0	0	113	H186 K191 E192 T268 E269	H186-S188 PolarHBondContact CD2-OG 3.47Å; H186-S188 PolarHBondContact NE2-OG 3.41Å; H186-S188 PolarHBondContact O-N 3.12Å; S188-K191 WeakPolarHBondContact O-CB 3.43Å; S188-K191 PolarHBondContact O-N 2.97Å; S188-E192 WeakPolarHBondContact O-CB 3.32Å; S188-E192 PolarHBondContact O-N 3.14Å; S188-T268 VanDerWaalsContact OG-C 3.26Å; S188-T268 PolarHBondContact OG-O 2.75Å; S188-E269 WeakPolarHBondContact OG-CA 3.26Å; S188-E269 WeakPolarHBondContact OG-CG 3.27Å; S188-E269 PolarHBondContact OG-N 2.76Å
189	G	78.9	Confident	72.2	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.01	25%	0.245	C	C	.	.	H	α-helix	trans	-71.3	-36.2	176.8	0	0	0	0	0	113.2	N183 H186 K191 E192 I193	N183-G189 CarbonylContact O-C 3.57Å; N183-G189 VanDerWaalsContact O-CA 3.28Å; N183-G189 WeakPolarHBondContact O-CA 3.5Å; H186-G189 PolarHBondContact CD2-N 2.98Å; H186-G189 PolarHBondContact NE2-N 2.66Å; H186-G189 PolarHBondContact O-N 3Å; G189-K191 VanDerWaalsContact C-N 3.34Å; G189-K191 PolarHBondContact O-N 3.33Å; G189-E192 PolarHBondContact O-N 3.22Å; G189-I193 WeakPolarHBondContact O-CD1 3.33Å; G189-I193 VanDerWaalsContact O-CG1 3.26Å; G189-I193 WeakPolarHBondContact O-CG1 3.48Å; G189-I193 PolarHBondContact O-N 2.78Å
190	L	81.7	Confident	71.8	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-62.6	-40.3	170.2	-67.5	179.2	0	0	0	112.1	N183 C184 H186 I193 F194 Y820 F822 I843	N183-L190 PolarHBondContact O-N 2.88Å; C184-L190 HydrophobicContact CB-CD2 4.19Å; C184-L190 WeakPolarHBondContact O-CD2 3.41Å; H186-L190 WeakPolarHBondContact O-CG 3.33Å; H186-L190 PolarHBondContact O-N 2.99Å; H186-L190 VanDerWaalsContact O-N 3.14Å; L190-I193 HydrophobicContact CD2-CD1 4.48Å; L190-I193 PolarHBondContact O-N 2.91Å; L190-F194 PolarHBondContact O-N 2.85Å; L190-Y820 HydrophobicContact CD1-CD2 4.07Å; L190-Y820 HydrophobicContact CD1-CE2 4.4Å; L190-F822 HydrophobicContact CB-CE1 4.4Å; L190-F822 HydrophobicContact CB-CE2 3.97Å; L190-F822 HydrophobicContact CB-CZ 3.54Å; L190-F822 HydrophobicContact CD1-CE2 4.45Å; L190-F822 HydrophobicContact CD1-CZ 4.47Å; L190-I843 HydrophobicContact CB-CD1 4.18Å; L190-I843 HydrophobicContact CD1-CD1 4.29Å; L190-I843 HydrophobicContact CD1-CG2 4.33Å; L190-I843 HydrophobicContact CD2-CD1 3.79Å; L190-I843 HydrophobicContact CD2-CG2 4.2Å; L190-I843 HydrophobicContact CG-CD1 4.31Å
191	K	80.5	Confident	70.8	Confident	68 Å²	68	40.2 Å²	40.2	30%	0.296	23%	0.226	S	C	.	.	H	α-helix	trans	-61.9	-43.4	171	165.6	173.4	-178.7	-175.5	0	112	L187 S188 G189 F194 L195 L211 I267 F822	L187-K191 WeakPolarHBondContact O-CB 3.28Å; L187-K191 PolarHBondContact O-N 3.28Å; S188-K191 WeakPolarHBondContact O-CB 3.43Å; S188-K191 PolarHBondContact O-N 2.97Å; G189-K191 VanDerWaalsContact C-N 3.34Å; G189-K191 PolarHBondContact O-N 3.33Å; K191-F194 PolarHBondContact O-N 2.88Å; K191-L195 HydrophobicContact CG-CD1 3.88Å; K191-L195 HydrophobicContact CG-CG 4.41Å; K191-L195 WeakPolarHBondContact O-CB 3.39Å; K191-L195 WeakPolarHBondContact O-CG 3.5Å; K191-L195 PolarHBondContact O-N 2.74Å; K191-L211 HydrophobicContact CB-CD2 4.14Å; K191-L211 HydrophobicContact CD-CD2 3.81Å; K191-L211 HydrophobicContact CG-CD2 3.55Å; K191-I267 HydrophobicContact CD-CG2 4.15Å; K191-F822 HydrophobicContact CB-CE1 4.08Å
192	E	74.2	Confident	69.7	Low	103 Å²	103	42.8 Å²	42.8	48%	0.481	23%	0.227	S	C	.	.	H	α-helix	trans	-63.5	-43.1	177.5	-174.5	-178.6	-170	0	0	111.7	S188 G189 F194 L195 T196 W202	S188-E192 WeakPolarHBondContact O-CB 3.32Å; S188-E192 PolarHBondContact O-N 3.14Å; G189-E192 PolarHBondContact O-N 3.22Å; E192-F194 PolarHBondContact O-N 3.29Å; E192-L195 PolarHBondContact O-N 2.62Å; E192-T196 VanDerWaalsContact O-CB 3.28Å; E192-T196 WeakPolarHBondContact O-CB 3.07Å; E192-T196 PolarHBondContact O-N 2.75Å; E192-T196 PolarHBondContact O-OG1 3.42Å; E192-W202 HydrophobicContact CG-CH2 4.19Å; E192-W202 HydrophobicContact CG-CZ2 4.28Å
193	I	71.7	Confident	68.6	Low	32 Å²	32	44.7 Å²	44.7	16%	0.164	24%	0.236	C	C	.	.	H	α-helix	trans	-59	-46.6	173.9	-70.1	161.7	0	0	0	110.3	C184 G189 L190 T196 K197	C184-I193 VanDerWaalsContact SG-CD1 3.5Å; G189-I193 WeakPolarHBondContact O-CD1 3.33Å; G189-I193 VanDerWaalsContact O-CG1 3.26Å; G189-I193 WeakPolarHBondContact O-CG1 3.48Å; G189-I193 PolarHBondContact O-N 2.78Å; L190-I193 HydrophobicContact CD2-CD1 4.48Å; L190-I193 PolarHBondContact O-N 2.91Å; I193-T196 PolarHBondContact O-N 3.43Å; I193-K197 WeakPolarHBondContact O-CB 3.2Å; I193-K197 WeakPolarHBondContact O-CG 3.44Å; I193-K197 PolarHBondContact O-N 2.87Å
194	F	72.8	Confident	67.3	Low	0 Å²	0	45 Å²	45	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-62.2	-48.4	177.5	-173.9	-113.8	0	0	0	112.2	L190 K191 E192 T196 K197 L198 L211 F822 T824 H839 L841 F863	L190-F194 PolarHBondContact O-N 2.85Å; K191-F194 PolarHBondContact O-N 2.88Å; E192-F194 PolarHBondContact O-N 3.29Å; F194-T196 PolarHBondContact O-N 3.33Å; F194-K197 PolarHBondContact O-N 3.35Å; F194-L198 HydrophobicContact CD1-CD1 3.93Å; F194-L198 HydrophobicContact CE1-CD1 3.66Å; F194-L198 HydrophobicContact CE1-CG 4.31Å; F194-L198 HydrophobicContact CZ-CD1 4.15Å; F194-L198 HydrophobicContact CZ-CD2 4.35Å; F194-L198 HydrophobicContact CZ-CG 4.38Å; F194-L198 WeakPolarHBondContact O-CG 3.4Å; F194-L198 PolarHBondContact O-N 3.06Å; F194-L211 HydrophobicContact CD1-CD1 3.42Å; F194-L211 VanDerWaalsContact CD1-CD1 3.42Å; F194-L211 HydrophobicContact CE1-CD1 3.34Å; F194-F822 HydrophobicContact CD1-CB 4.08Å; F194-F822 HydrophobicContact CD2-CB 4.19Å; F194-F822 HydrophobicContact CE1-CB 4.22Å; F194-F822 HydrophobicContact CE2-CB 4.34Å; F194-F822 HydrophobicContact CG-CB 4.05Å; F194-F822 HydrophobicContact CZ-CB 4.34Å; F194-T824 HydrophobicContact CE1-CG2 3.87Å; F194-T824 HydrophobicContact CZ-CG2 4.04Å; F194-H839 HydrophobicContact CE2-CB 4.38Å; F194-H839 HydrophobicContact CZ-CB 4.03Å; F194-L841 HydrophobicContact CB-CD2 4.16Å; F194-L841 HydrophobicContact CD2-CB 3.48Å; F194-L841 VanDerWaalsContact CD2-CB 3.48Å; F194-L841 HydrophobicContact CD2-CD2 3.69Å; F194-L841 HydrophobicContact CD2-CG 4.23Å; F194-L841 HydrophobicContact CE2-CB 3.57Å; F194-L841 HydrophobicContact CG-CD2 4.36Å; F194-F863 HydrophobicContact CD2-CE1 4.36Å; F194-F863 HydrophobicContact CD2-CZ 4.37Å; F194-F863 HydrophobicContact CE2-CE1 4.1Å; F194-F863 HydrophobicContact CE2-CZ 4.31Å
195	L	70.9	Confident	66	Low	15 Å²	15	52.8 Å²	52.8	8%	0.079	28%	0.281	C	S	.	.	H	α-helix	trans	-63.7	-38.1	178.5	-70.5	173	0	0	0	112.8	K191 E192 L198 V208 P209	K191-L195 HydrophobicContact CG-CD1 3.88Å; K191-L195 HydrophobicContact CG-CG 4.41Å; K191-L195 WeakPolarHBondContact O-CB 3.39Å; K191-L195 WeakPolarHBondContact O-CG 3.5Å; K191-L195 PolarHBondContact O-N 2.74Å; E192-L195 PolarHBondContact O-N 2.62Å; L195-L198 HydrophobicContact CD2-CD1 4.32Å; L195-L198 PolarHBondContact O-N 3.11Å; L195-V208 HydrophobicContact CD1-CG1 3.95Å; L195-V208 HydrophobicContact CD2-CG1 3.8Å; L195-P209 HydrophobicContact CD2-CG 4.32Å
196	T	64.8	Low	64.8	Low	73 Å²	73	59.4 Å²	59.4	45%	0.448	31%	0.305	S	S	.	.	H	α-helix	trans	-65.8	-43.3	174.3	-55	0	0	0	0	110.8	E192 I193 F194 L198 G199	E192-T196 VanDerWaalsContact O-CB 3.28Å; E192-T196 WeakPolarHBondContact O-CB 3.07Å; E192-T196 PolarHBondContact O-N 2.75Å; E192-T196 PolarHBondContact O-OG1 3.42Å; I193-T196 PolarHBondContact O-N 3.43Å; F194-T196 PolarHBondContact O-N 3.33Å; T196-L198 VanDerWaalsContact C-N 3.33Å; T196-L198 PolarHBondContact O-N 3.42Å; T196-G199 WeakPolarHBondContact O-CA 3.36Å; T196-G199 PolarHBondContact O-N 3.18Å
197	K	62.3	Low	63.6	Low	53 Å²	53	63.3 Å²	63.3	23%	0.23	33%	0.332	C	S	.	.	H	α-helix	trans	-70.5	-26.1	178.3	-75.8	-76.2	175.3	175.4	0	113.3	I193 F194 G199 F863 T867 Q868 F869 F870	I193-K197 WeakPolarHBondContact O-CB 3.2Å; I193-K197 WeakPolarHBondContact O-CG 3.44Å; I193-K197 PolarHBondContact O-N 2.87Å; F194-K197 PolarHBondContact O-N 3.35Å; K197-G199 PolarHBondContact O-N 3.11Å; K197-F863 HydrophobicContact CB-CE1 4.48Å; K197-T867 WeakPolarHBondContact O-CG2 3.2Å; K197-Q868 PolarHBondContact NZ-O 3.18Å; K197-F869 PolarHBondContact NZ-O 2.67Å; K197-F870 HydrophobicContact CD-CE2 4.47Å
198	L	61.4	Low	62.5	Low	6 Å²	6	67.4 Å²	67.4	3%	0.031	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-6.8	165.9	-72.2	172	0	0	0	113.4	F194 L195 T196 Y200 T824 N830 H839	F194-L198 HydrophobicContact CD1-CD1 3.93Å; F194-L198 HydrophobicContact CE1-CD1 3.66Å; F194-L198 HydrophobicContact CE1-CG 4.31Å; F194-L198 HydrophobicContact CZ-CD1 4.15Å; F194-L198 HydrophobicContact CZ-CD2 4.35Å; F194-L198 HydrophobicContact CZ-CG 4.38Å; F194-L198 WeakPolarHBondContact O-CG 3.4Å; F194-L198 PolarHBondContact O-N 3.06Å; L195-L198 HydrophobicContact CD2-CD1 4.32Å; L195-L198 PolarHBondContact O-N 3.11Å; T196-L198 VanDerWaalsContact C-N 3.33Å; T196-L198 PolarHBondContact O-N 3.42Å; L198-Y200 PolarHBondContact O-N 2.89Å; L198-T824 HydrophobicContact CD1-CG2 3.79Å; L198-T824 HydrophobicContact CD2-CG2 4.25Å; L198-N830 PolarHBondContact O-ND2 3.47Å; L198-H839 HydrophobicContact CD2-CB 3.68Å; L198-H839 VanDerWaalsContact CD2-CD2 3.41Å; L198-H839 WeakPolarHBondContact CD2-CD2 3.43Å
199	G	55.2	Low	61.7	Low	23 Å²	23	66.4 Å²	66.4	24%	0.237	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.5	23.9	179.6	0	0	0	0	0	113.5	T196 K197	T196-G199 WeakPolarHBondContact O-CA 3.36Å; T196-G199 PolarHBondContact O-N 3.18Å; K197-G199 PolarHBondContact O-N 3.11Å
200	Y	55	Low	61.1	Low	56 Å²	56	73.2 Å²	73.2	22%	0.22	38%	0.379	C	S	.	.			trans	-69	127.6	-175.1	-146.9	-95.2	0	0	0	110.6	L198 W202 Y206 P207 P209	L198-Y200 PolarHBondContact O-N 2.89Å; Y200-W202 PolarHBondContact O-N 3.08Å; Y200-Y206 VanDerWaalsContact OH-CB 3.26Å; Y200-Y206 WeakPolarHBondContact OH-CB 3.27Å; Y200-P207 PolarHBondContact OH-O 3.42Å; Y200-P209 HydrophobicContact CD2-CG 4.3Å; Y200-P209 HydrophobicContact CE2-CG 4.11Å
201	P	50.2	Low	60.7	Low	59 Å²	59	74.6 Å²	74.6	38%	0.383	39%	0.386	S	S	.	.			trans	-75.3	100.2	-177.1	29.8	-34.5	0	0	0	110.6	S203 V204	P201-S203 PolarHBondContact O-N 3.26Å; P201-V204 HydrophobicContact CB-CG2 4.03Å; P201-V204 HydrophobicContact CG-CB 4.27Å; P201-V204 HydrophobicContact CG-CG2 4.13Å; P201-V204 PolarHBondContact O-N 3.12Å; P201-V204 VanDerWaalsContact O-N 3.11Å
202	W	47.7	Very low	60.7	Low	179 Å²	179	73.6 Å²	73.6	68%	0.678	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	-17.3	173.6	-61.1	94.5	0	0	0	114.5	E192 Y200	E192-W202 HydrophobicContact CG-CH2 4.19Å; E192-W202 HydrophobicContact CG-CZ2 4.28Å; Y200-W202 PolarHBondContact O-N 3.08Å
203	S	47.5	Very low	61.1	Low	112 Å²	112	68.9 Å²	68.9	78%	0.783	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-1.6	-177.6	53.2	0	0	0	0	115.4	P201	P201-S203 PolarHBondContact O-N 3.26Å
204	V	45.2	Very low	61.5	Low	70 Å²	70	69.1 Å²	69.1	42%	0.424	37%	0.367	S	S	.	.	S	Bend	trans	-119.5	135.3	-177.5	-170.2	0	0	0	0	110.6	P201 Y206	P201-V204 HydrophobicContact CB-CG2 4.03Å; P201-V204 HydrophobicContact CG-CB 4.27Å; P201-V204 HydrophobicContact CG-CG2 4.13Å; P201-V204 PolarHBondContact O-N 3.12Å; P201-V204 VanDerWaalsContact O-N 3.11Å; V204-Y206 HydrophobicContact CB-CD2 4.38Å; V204-Y206 HydrophobicContact CG1-CD2 3.6Å; V204-Y206 HydrophobicContact CG1-CE2 3.94Å; V204-Y206 PolarHBondContact O-N 2.92Å
205	N	48.5	Very low	61.9	Low	175 Å²	175	69.1 Å²	69.1	94%	0.936	37%	0.367	S	S	*	.			trans	-68.4	33.9	-176.4	-71.1	-18.3	0	0	0	115.3
206	Y	48.8	Very low	62.4	Low	162 Å²	162	70 Å²	70	64%	0.635	37%	0.369	S	S	*	.			trans	-80.6	140.6	168.5	-81	-81.4	0	0	0	110.6	Y200 V204 V208	Y200-Y206 VanDerWaalsContact OH-CB 3.26Å; Y200-Y206 WeakPolarHBondContact OH-CB 3.27Å; V204-Y206 HydrophobicContact CB-CD2 4.38Å; V204-Y206 HydrophobicContact CG1-CD2 3.6Å; V204-Y206 HydrophobicContact CG1-CE2 3.94Å; V204-Y206 PolarHBondContact O-N 2.92Å; Y206-V208 PolarHBondContact O-N 2.81Å
207	P	54.6	Low	63.2	Low	108 Å²	108	66.6 Å²	66.6	70%	0.701	35%	0.348	S	S	*	.			trans	-64.9	126.2	175.2	27.3	-33.5	0	0	0	110	Y200	Y200-P207 PolarHBondContact OH-O 3.42Å
208	V	60	Low	64	Low	88 Å²	88	64.5 Å²	64.5	53%	0.533	34%	0.339	S	S	.	.			trans	-46	129.4	174.2	-179.4	0	0	0	0	109.2	L195 Y206	L195-V208 HydrophobicContact CD1-CG1 3.95Å; L195-V208 HydrophobicContact CD2-CG1 3.8Å; Y206-V208 PolarHBondContact O-N 2.81Å
209	P	63	Low	64.7	Low	11 Å²	11	64.5 Å²	64.5	7%	0.071	34%	0.339	C	S	.	.			trans	-61.2	146.5	-174.2	26.9	-35.9	0	0	0	110.3	L195 Y200 L211 L826	L195-P209 HydrophobicContact CD2-CG 4.32Å; Y200-P209 HydrophobicContact CD2-CG 4.3Å; Y200-P209 HydrophobicContact CE2-CG 4.11Å; P209-L211 PolarHBondContact O-N 3.44Å; P209-L211 VanDerWaalsContact O-N 3.12Å; P209-L826 HydrophobicContact CB-CD2 4.05Å; P209-L826 HydrophobicContact CG-CD2 4.17Å
210	K	68	Low	65.5	Low	145 Å²	145	69.8 Å²	69.8	63%	0.63	35%	0.352	S	S	*	.			trans	-60.4	122.7	177.8	-170.9	-177.9	175.9	-108.1	0	108.3	D212 T824	K210-D212 WeakPolarHBondContact CE-OD1 3.33Å; K210-D212 IonicContact NZ-OD1 3.16Å; K210-D212 PolarHBondContact NZ-OD1 3.25Å; K210-D212 IonicContact NZ-OD2 2.76Å; K210-D212 PolarHBondContact NZ-OD2 3.47Å; K210-T824 WeakPolarHBondContact O-CB 3.25Å; K210-T824 PolarHBondContact O-OG1 2.81Å
211	L	73.1	Confident	66.1	Low	29 Å²	29	69 Å²	69	15%	0.152	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	108.6	-177.5	179.5	67.3	0	0	0	107.8	K191 F194 P209 I213 F822	K191-L211 HydrophobicContact CB-CD2 4.14Å; K191-L211 HydrophobicContact CD-CD2 3.81Å; K191-L211 HydrophobicContact CG-CD2 3.55Å; F194-L211 HydrophobicContact CD1-CD1 3.42Å; F194-L211 VanDerWaalsContact CD1-CD1 3.42Å; F194-L211 HydrophobicContact CE1-CD1 3.34Å; P209-L211 PolarHBondContact O-N 3.44Å; P209-L211 VanDerWaalsContact O-N 3.12Å; L211-I213 HydrophobicContact CD2-CD1 4.14Å; L211-I213 HydrophobicContact CD2-CG1 4.22Å; L211-I213 HydrophobicContact CG-CD1 4.43Å; L211-I213 HydrophobicContact CG-CG1 3.99Å; L211-F822 HydrophobicContact CD1-CB 4.28Å; L211-F822 HydrophobicContact CD1-CD1 4.23Å; L211-F822 HydrophobicContact CD2-CD1 4.1Å; L211-F822 HydrophobicContact CG-CD1 4.42Å
212	D	79.7	Confident	66.5	Low	46 Å²	46	70 Å²	70	25%	0.246	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	128.2	172.4	-67.2	-33.7	0	0	0	107.9	K210 L261 Y823	K210-D212 WeakPolarHBondContact CE-OD1 3.33Å; K210-D212 IonicContact NZ-OD1 3.16Å; K210-D212 PolarHBondContact NZ-OD1 3.25Å; K210-D212 IonicContact NZ-OD2 2.76Å; K210-D212 PolarHBondContact NZ-OD2 3.47Å; D212-L261 HydrophobicContact CB-CD1 3.97Å; D212-Y823 PolarHBondContact N-O 2.77Å; D212-Y823 PolarHBondContact O-N 3.19Å
213	I	82.4	Confident	66.7	Low	4 Å²	4	63.8 Å²	63.8	2%	0.021	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	124	-178.3	-55.1	175.9	0	0	0	107.5	L187 L211 L261 V262 I267 I821 F822	L187-I213 HydrophobicContact CD2-CG2 3.95Å; L211-I213 HydrophobicContact CD2-CD1 4.14Å; L211-I213 HydrophobicContact CD2-CG1 4.22Å; L211-I213 HydrophobicContact CG-CD1 4.43Å; L211-I213 HydrophobicContact CG-CG1 3.99Å; I213-L261 CarbonylContact O-C 3.5Å; I213-L261 WeakPolarHBondContact O-CA 3.47Å; I213-V262 HydrophobicContact CB-CB 4.19Å; I213-V262 HydrophobicContact CB-CG2 4.32Å; I213-V262 HydrophobicContact CG2-CB 4.26Å; I213-V262 HydrophobicContact CG2-CG2 3.94Å; I213-V262 WeakPolarHBondContact O-CG2 3.18Å; I213-V262 PolarHBondContact O-N 2.75Å; I213-I267 HydrophobicContact CD1-CD1 3.72Å; I213-I267 HydrophobicContact CD1-CG1 4.17Å; I213-I821 WeakPolarHBondContact CA-O 3.48Å; I213-F822 HydrophobicContact CD1-CD1 4.03Å; I213-F822 HydrophobicContact CD1-CE1 3.61Å; I213-F822 HydrophobicContact CD1-CZ 4.49Å; I213-F822 HydrophobicContact CG1-CD1 3.82Å; I213-F822 HydrophobicContact CG1-CE1 3.88Å; I213-F822 HydrophobicContact CG2-CE1 4.23Å; I213-F822 HydrophobicContact CG2-CZ 4.36Å
214	S	79.8	Confident	66.8	Low	37 Å²	37	62.7 Å²	62.7	26%	0.259	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	141.5	165.8	-48.2	0	0	0	0	109.6	W259 P260 Y820 I821	S214-W259 CarbonylContact C-O 3.57Å; S214-W259 VanDerWaalsContact CA-O 3.31Å; S214-W259 WeakPolarHBondContact CA-O 3.17Å; S214-P260 WeakPolarHBondContact CB-O 3.37Å; S214-P260 PolarHBondContact OG-O 3.16Å; S214-Y820 WeakPolarHBondContact O-CA 3.27Å; S214-I821 PolarHBondContact N-O 3.39Å; S214-I821 PolarHBondContact O-N 3.01Å
215	A	82.3	Confident	66.8	Low	1 Å²	1	62.5 Å²	62.5	1%	0.008	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	132.8	177	0	0	0	0	0	110.9	F217 T258 W259 V262 L276 L819 Y820	A215-F217 HydrophobicContact CB-CE2 4.47Å; A215-F217 HydrophobicContact CB-CZ 4.44Å; A215-T258 WeakPolarHBondContact O-CA 3.4Å; A215-W259 HydrophobicContact CB-CB 4.4Å; A215-W259 PolarHBondContact N-O 3.3Å; A215-W259 PolarHBondContact O-N 3.33Å; A215-V262 HydrophobicContact CB-CG2 3.56Å; A215-L276 HydrophobicContact CB-CD1 4.08Å; A215-L819 CarbonylContact C-O 3.56Å; A215-L819 WeakPolarHBondContact CA-O 3.39Å; A215-Y820 HydrophobicContact CB-CD1 3.7Å; A215-Y820 HydrophobicContact CB-CE1 3.64Å
216	R	81.6	Confident	66.6	Low	34 Å²	34	57.6 Å²	57.6	13%	0.128	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	122.4	176.5	173.9	174.5	176.8	140	3.1	109.9	I218 A256 T257 T258 Q285 L819	R216-I218 HydrophobicContact CG-CG1 4.36Å; R216-A256 VanDerWaalsContact NH2-CB 3.31Å; R216-T257 CarbonylContact C-O 3.21Å; R216-T257 VanDerWaalsContact CA-O 3.28Å; R216-T257 WeakPolarHBondContact CA-O 3.38Å; R216-T258 HydrophobicContact CB-CG2 4.27Å; R216-T258 WeakPolarHBondContact CG-OG1 3.2Å; R216-Q285 VanDerWaalsContact NH2-OE1 3.15Å; R216-L819 HydrophobicContact CB-CB 4.28Å; R216-L819 PolarHBondContact N-O 2.94Å; R216-L819 PolarHBondContact O-N 3.28Å
217	F	81.7	Confident	66.2	Low	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	129.9	177.3	-58.5	-69.7	0	0	0	109.6	A215 Y219 A256 T257 W259 L276 P815 E818	A215-F217 HydrophobicContact CB-CE2 4.47Å; A215-F217 HydrophobicContact CB-CZ 4.44Å; F217-Y219 HydrophobicContact CB-CE2 3.68Å; F217-A256 CarbonylContact O-C 3.48Å; F217-A256 VanDerWaalsContact O-CA 3.3Å; F217-A256 WeakPolarHBondContact O-CA 3.33Å; F217-T257 PolarHBondContact N-O 2.91Å; F217-T257 PolarHBondContact O-N 3.39Å; F217-W259 AromaticContact CE2-CD1 3.88Å; F217-L276 HydrophobicContact CE2-CB 3.63Å; F217-L276 HydrophobicContact CE2-CD1 3.92Å; F217-L276 HydrophobicContact CE2-CG 4.43Å; F217-L276 HydrophobicContact CZ-CB 3.94Å; F217-L276 HydrophobicContact CZ-CD1 3.93Å; F217-P815 HydrophobicContact CB-CB 4.14Å; F217-P815 HydrophobicContact CD1-CB 4.27Å; F217-P815 HydrophobicContact CD1-CG 3.97Å; F217-E818 HydrophobicContact CD1-CB 4.23Å; F217-E818 HydrophobicContact CD1-CG 3.99Å; F217-E818 HydrophobicContact CE1-CB 4.34Å; F217-E818 HydrophobicContact CE1-CG 4.2Å
218	I	78	Confident	65.5	Low	10 Å²	10	54.3 Å²	54.3	5%	0.051	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	118.8	178.8	-52.7	177.9	0	0	0	108.7	R216 N254 L255 A256 N816 Y817	R216-I218 HydrophobicContact CG-CG1 4.36Å; I218-N254 HydrophobicContact CG2-CB 3.92Å; I218-L255 WeakPolarHBondContact CA-O 3.37Å; I218-A256 HydrophobicContact CG1-CB 4.4Å; I218-N816 WeakPolarHBondContact O-CB 3.22Å; I218-N816 PolarHBondContact O-N 3.35Å; I218-Y817 HydrophobicContact CB-CD2 4.41Å; I218-Y817 HydrophobicContact CG2-CD2 4.49Å; I218-Y817 PolarHBondContact N-O 2.67Å; I218-Y817 PolarHBondContact O-N 2.7Å; I218-Y817 VanDerWaalsContact O-N 3.15Å
219	Y	77.4	Confident	64.7	Low	6 Å²	6	55.2 Å²	55.2	2%	0.024	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	118	177.1	-54.2	-90.8	0	0	0	109.1	F217 L221 N254 L255 T257 P278 L812 P815	F217-Y219 HydrophobicContact CB-CE2 3.68Å; Y219-L221 PolarHBondContact O-N 3.03Å; Y219-N254 CarbonylContact O-C 3.39Å; Y219-N254 VanDerWaalsContact O-CA 3.3Å; Y219-N254 WeakPolarHBondContact O-CA 3.38Å; Y219-L255 HydrophobicContact CD2-CB 4.47Å; Y219-L255 WeakPolarHBondContact CD2-O 3.28Å; Y219-L255 PolarHBondContact N-O 3.13Å; Y219-L255 PolarHBondContact O-N 3.25Å; Y219-T257 HydrophobicContact CE2-CG2 4.32Å; Y219-P278 HydrophobicContact CE2-CB 3.8Å; Y219-P278 HydrophobicContact CE2-CG 4.3Å; Y219-P278 WeakPolarHBondContact OH-CB 3.49Å; Y219-P278 WeakPolarHBondContact OH-CG 3.35Å; Y219-L812 HydrophobicContact CD1-CD2 4.37Å; Y219-L812 HydrophobicContact CE1-CB 4.45Å; Y219-L812 WeakPolarHBondContact CE1-O 3.22Å; Y219-L812 HydrophobicContact CG-CD2 4.25Å; Y219-L812 PolarHBondContact OH-O 2.73Å; Y219-P815 HydrophobicContact CD1-CB 4.23Å; Y219-P815 VanDerWaalsContact CE1-CA 3.47Å; Y219-P815 HydrophobicContact CE1-CB 3.83Å
220	R	71.6	Confident	63.5	Low	134 Å²	134	59.8 Å²	59.8	51%	0.506	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	112.1	167.9	-172.4	175.7	-178.1	171	3.7	108.3	N254 N816	R220-N254 WeakPolarHBondContact CA-OD1 3.4Å; R220-N816 HydrophobicContact CB-CB 4.41Å; R220-N816 WeakPolarHBondContact CB-OD1 3.17Å; R220-N816 PolarHBondContact N-OD1 3.46Å
221	L	67	Low	62.2	Low	39 Å²	39	57.8 Å²	57.8	20%	0.204	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-69	146.3	173.1	-56.6	-177.5	0	0	0	109.1	Y219 F253 L255 L286 V810	Y219-L221 PolarHBondContact O-N 3.03Å; L221-F253 HydrophobicContact CB-CB 4.13Å; L221-F253 WeakPolarHBondContact CB-O 3.4Å; L221-F253 HydrophobicContact CD1-CB 3.94Å; L221-F253 HydrophobicContact CG-CB 4.35Å; L221-F253 PolarHBondContact N-O 2.75Å; L221-L255 HydrophobicContact CD2-CB 4.31Å; L221-L286 HydrophobicContact CD1-CD1 3.98Å; L221-V810 HydrophobicContact CD2-CG1 4.44Å
222	P	59.5	Low	60.5	Low	80 Å²	80	64.5 Å²	64.5	52%	0.519	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-60.1	150.4	176.6	26.2	-34.1	0	0	0	111	W224	P222-W224 PolarHBondContact O-N 2.55Å
223	S	51.7	Low	58.4	Low	49 Å²	49	70 Å²	70	34%	0.343	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-63	127.4	175.5	-179.2	0	0	0	0	110.1	S225 S226	S223-S225 PolarHBondContact O-N 3.32Å; S223-S225 PolarHBondContact OG-OG 2.6Å; S223-S226 WeakPolarHBondContact O-CB 3.45Å; S223-S226 PolarHBondContact O-N 2.97Å; S223-S226 PolarHBondContact O-OG 2.93Å
224	W	49.5	Very low	56.2	Low	88 Å²	88	73.2 Å²	73.2	33%	0.333	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-53.7	-26.8	178.1	-70.5	75.5	0	0	0	113.3	P222 S226 L227 R228 F239 L244 F253	P222-W224 PolarHBondContact O-N 2.55Å; W224-S226 PolarHBondContact O-N 3.37Å; W224-L227 PolarHBondContact O-N 3.32Å; W224-R228 PolarHBondContact O-N 3.14Å; W224-F239 HydrophobicContact CE3-CZ 4.28Å; W224-F239 HydrophobicContact CH2-CE1 4.2Å; W224-F239 AromaticContact CH2-CZ 3.85Å; W224-F239 HydrophobicContact CH2-CZ 3.85Å; W224-F239 HydrophobicContact CZ3-CE1 4Å; W224-F239 HydrophobicContact CZ3-CE2 4.03Å; W224-F239 AromaticContact CZ3-CZ 3.42Å; W224-F239 HydrophobicContact CZ3-CZ 3.42Å; W224-F239 VanDerWaalsContact CZ3-CZ 3.42Å; W224-L244 HydrophobicContact CB-CD1 4.1Å; W224-F253 AromaticContact CD1-CD2 3.54Å; W224-F253 AromaticContact CD1-CE2 3.43Å; W224-F253 VanDerWaalsContact CD1-CE2 3.43Å; W224-F253 AromaticContact NE1-CD2 3.33Å; W224-F253 VanDerWaalsContact NE1-CD2 3.33Å; W224-F253 AromaticContact NE1-CE2 3.27Å; W224-F253 VanDerWaalsContact NE1-CE2 3.27Å; W224-F253 AromaticContact NE1-CG 3.91Å; W224-F253 AromaticContact NE1-CZ 3.79Å
225	S	45.7	Very low	54.1	Low	67 Å²	67	79.4 Å²	79.4	47%	0.469	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-56.3	-29.9	172.8	58.3	0	0	0	0	113.8	S223	S223-S225 PolarHBondContact O-N 3.32Å; S223-S225 PolarHBondContact OG-OG 2.6Å
226	S	43.8	Very low	51.7	Low	71 Å²	71	81.7 Å²	81.7	50%	0.497	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-76	-23.2	175.8	64.9	0	0	0	0	113.8	S223 W224	S223-S226 WeakPolarHBondContact O-CB 3.45Å; S223-S226 PolarHBondContact O-N 2.97Å; S223-S226 PolarHBondContact O-OG 2.93Å; W224-S226 PolarHBondContact O-N 3.37Å
227	L	40.7	Very low	49.4	Very low	68 Å²	68	86.7 Å²	86.7	36%	0.356	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-22.6	175.3	-69.5	163.9	0	0	0	112.4	W224 V229 D230 Y231	W224-L227 PolarHBondContact O-N 3.32Å; L227-V229 PolarHBondContact O-N 3.46Å; L227-D230 PolarHBondContact O-N 3.11Å; L227-D230 VanDerWaalsContact O-N 3.07Å; L227-Y231 HydrophobicContact CB-CD2 4.42Å; L227-Y231 WeakPolarHBondContact O-CD2 3.44Å
228	R	39.3	Very low	47.5	Very low	133 Å²	133	91.7 Å²	91.7	50%	0.502	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-25.7	178	-79.4	-168.2	179	-168.5	-0.5	114.1	W224 Y231 D242	W224-R228 PolarHBondContact O-N 3.14Å; R228-Y231 PolarHBondContact O-N 2.9Å; R228-D242 IonicContact CZ-OD2 2.7Å; R228-D242 IonicContact NH2-OD1 3Å; R228-D242 PolarHBondContact NH2-OD1 2.95Å; R228-D242 IonicContact NH2-OD2 3.5Å; R228-D242 PolarHBondContact NH2-OD2 3.22Å
229	V	43.1	Very low	45.2	Very low	108 Å²	108	96.9 Å²	96.9	66%	0.655	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-39.6	179.3	-176.6	0	0	0	0	111.5	L227 Y231	L227-V229 PolarHBondContact O-N 3.46Å; V229-Y231 VanDerWaalsContact C-N 3.3Å; V229-Y231 PolarHBondContact O-N 2.93Å
230	D	38	Very low	43	Very low	106 Å²	106	99.4 Å²	99.4	57%	0.567	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-20.5	179.5	-68	-19.2	0	0	0	111.9	L227 R808	L227-D230 PolarHBondContact O-N 3.11Å; L227-D230 VanDerWaalsContact O-N 3.07Å; D230-R808 IonicContact OD2-NH1 3.71Å
231	Y	40.3	Very low	41.1	Very low	104 Å²	104	99.6 Å²	99.6	41%	0.408	52%	0.523	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	11.8	-173.3	-76.2	-69.5	0	0	0	116.1	L227 R228 V229 N233 T234 P805	L227-Y231 HydrophobicContact CB-CD2 4.42Å; L227-Y231 WeakPolarHBondContact O-CD2 3.44Å; R228-Y231 PolarHBondContact O-N 2.9Å; V229-Y231 VanDerWaalsContact C-N 3.3Å; V229-Y231 PolarHBondContact O-N 2.93Å; Y231-N233 PolarHBondContact O-N 2.91Å; Y231-T234 WeakPolarHBondContact CD1-OG1 3.32Å; Y231-T234 PolarHBondContact O-N 2.93Å; Y231-P805 VanDerWaalsContact OH-CB 3.29Å; Y231-P805 WeakPolarHBondContact OH-CB 3.47Å
232	Q	36.9	Very low	39.5	Very low	169 Å²	169	99.5 Å²	99.5	79%	0.79	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-14.4	174.8	-71.6	-167.7	-13.8	0	0	114.4
233	N	36.8	Very low	38.5	Very low	163 Å²	163	98 Å²	98	87%	0.872	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.2	1.3	-174.1	-112	9.3	0	0	0	115.2	Y231	Y231-N233 PolarHBondContact O-N 2.91Å
234	T	35.7	Very low	37.7	Very low	71 Å²	71	98.4 Å²	98.4	44%	0.436	51%	0.508	S	S	.	.	S	Bend	trans	-108.1	124.1	169	54.8	0	0	0	0	109.3	Y231 S236	Y231-T234 WeakPolarHBondContact CD1-OG1 3.32Å; Y231-T234 PolarHBondContact O-N 2.93Å; T234-S236 WeakPolarHBondContact CB-OG 3.29Å; T234-S236 PolarHBondContact O-N 3.01Å; T234-S236 PolarHBondContact O-OG 2.64Å; T234-S236 PolarHBondContact OG1-OG 2.78Å
235	N	35	Very low	37.2	Very low	166 Å²	166	96.8 Å²	96.8	89%	0.888	50%	0.504	S	S	*	.			trans	-68.3	27.4	173.1	-77.1	-11.3	0	0	0	113.2	L237	N235-L237 PolarHBondContact O-N 2.87Å
236	S	33.4	Very low	36.9	Very low	50 Å²	50	98.5 Å²	98.5	35%	0.35	50%	0.501	S	S	.	.			trans	-73.7	72.4	175.1	52.3	0	0	0	0	110.4	T234 I238	T234-S236 WeakPolarHBondContact CB-OG 3.29Å; T234-S236 PolarHBondContact O-N 3.01Å; T234-S236 PolarHBondContact O-OG 2.64Å; T234-S236 PolarHBondContact OG1-OG 2.78Å; S236-I238 PolarHBondContact O-N 2.93Å
237	L	32.9	Very low	36.5	Very low	139 Å²	139	101.3 Å²	101.3	73%	0.728	52%	0.515	S	S	*	.			trans	-69.1	37	162.4	-73.4	162.8	0	0	0	111.4	N235 F239	N235-L237 PolarHBondContact O-N 2.87Å; L237-F239 PolarHBondContact O-N 3.21Å
238	I	41.7	Very low	36.5	Very low	104 Å²	104	103.7 Å²	103.7	53%	0.533	54%	0.537	S	S	.	.			trans	-70.4	-15.5	-176	-64.5	175.6	0	0	0	111.1	S236	S236-I238 PolarHBondContact O-N 2.93Å
239	F	30.2	Very low	36.7	Very low	120 Å²	120	99.3 Å²	99.3	53%	0.526	52%	0.523	S	S	.	.			trans	-110.6	72.2	-179.8	-63.2	-79.8	0	0	0	112	W224 L237 F241	W224-F239 HydrophobicContact CE3-CZ 4.28Å; W224-F239 HydrophobicContact CH2-CE1 4.2Å; W224-F239 AromaticContact CH2-CZ 3.85Å; W224-F239 HydrophobicContact CH2-CZ 3.85Å; W224-F239 HydrophobicContact CZ3-CE1 4Å; W224-F239 HydrophobicContact CZ3-CE2 4.03Å; W224-F239 AromaticContact CZ3-CZ 3.42Å; W224-F239 HydrophobicContact CZ3-CZ 3.42Å; W224-F239 VanDerWaalsContact CZ3-CZ 3.42Å; L237-F239 PolarHBondContact O-N 3.21Å; F239-F241 VanDerWaalsContact C-N 3.29Å
240	S	30	Very low	37.1	Very low	58 Å²	58	100.8 Å²	100.8	41%	0.406	53%	0.527	S	S	.	.			trans	-79.8	-11	162.1	52.8	0	0	0	0	112.9	D242	S240-D242 PolarHBondContact O-N 3.05Å
241	F	31.4	Very low	37.9	Very low	139 Å²	139	96.7 Å²	96.7	61%	0.61	51%	0.505	S	S	*	.			trans	-77.6	64.9	155.2	-72.1	-74.2	0	0	0	110.4	F239 L243	F239-F241 VanDerWaalsContact C-N 3.29Å; F241-L243 PolarHBondContact O-N 3.1Å
242	D	34.1	Very low	38.8	Very low	36 Å²	36	92.1 Å²	92.1	19%	0.193	49%	0.488	C	S	.	.			trans	-78.2	70.4	177.6	-152.7	-12.2	0	0	0	111	R228 S240 L244 Q245	R228-D242 IonicContact CZ-OD2 2.7Å; R228-D242 IonicContact NH2-OD1 3Å; R228-D242 PolarHBondContact NH2-OD1 2.95Å; R228-D242 IonicContact NH2-OD2 3.5Å; R228-D242 PolarHBondContact NH2-OD2 3.22Å; S240-D242 PolarHBondContact O-N 3.05Å; D242-L244 PolarHBondContact O-N 3.35Å; D242-Q245 HydrophobicContact CB-CB 4.3Å; D242-Q245 HydrophobicContact CB-CG 3.95Å; D242-Q245 PolarHBondContact O-N 3.5Å; D242-Q245 WeakPolarHBondContact OD2-CG 3.23Å; D242-Q245 PolarHBondContact OD2-NE2 3.26Å
243	L	38.1	Very low	40.2	Very low	50 Å²	50	85.5 Å²	85.5	26%	0.262	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-20	175.1	-70.7	167.2	0	0	0	112.7	F241 L251 L288 F294 M298	F241-L243 PolarHBondContact O-N 3.1Å; L243-L251 HydrophobicContact CB-CD1 3.64Å; L243-L251 WeakPolarHBondContact O-CD1 3.5Å; L243-L288 HydrophobicContact CD1-CD2 4.31Å; L243-F294 HydrophobicContact CD2-CE1 4.35Å; L243-M298 HydrophobicContact CD1-CE 4.27Å; L243-M298 HydrophobicContact CD2-CE 4.48Å
244	L	35.6	Very low	41.8	Very low	57 Å²	57	77.8 Å²	77.8	30%	0.298	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-8.5	-179.4	-71.6	164.7	0	0	0	114.5	W224 D242 R246 L251	W224-L244 HydrophobicContact CB-CD1 4.1Å; D242-L244 PolarHBondContact O-N 3.35Å; L244-R246 PolarHBondContact O-N 2.8Å; L244-L251 HydrophobicContact CD2-CB 4.15Å; L244-L251 HydrophobicContact CD2-CD1 3.95Å; L244-L251 HydrophobicContact CG-CD1 4.19Å
245	Q	39.4	Very low	43.6	Very low	54 Å²	54	75.6 Å²	75.6	25%	0.252	40%	0.401	S	S	.	.			trans	-71	-16.8	176	-88	176.5	39.2	0	0	113.5	D242 T247 D779	D242-Q245 HydrophobicContact CB-CB 4.3Å; D242-Q245 HydrophobicContact CB-CG 3.95Å; D242-Q245 PolarHBondContact O-N 3.5Å; D242-Q245 WeakPolarHBondContact OD2-CG 3.23Å; D242-Q245 PolarHBondContact OD2-NE2 3.26Å; Q245-T247 VanDerWaalsContact C-N 3.32Å; Q245-T247 PolarHBondContact O-N 3.03Å; Q245-D779 HydrophobicContact CG-CB 3.82Å; Q245-D779 VanDerWaalsContact OE1-CB 3.26Å
246	R	38	Very low	45.5	Very low	103 Å²	103	67.7 Å²	67.7	39%	0.389	36%	0.359	S	S	.	.	S	Bend	trans	-72.9	89.4	164.8	-76.1	-174.8	-179.2	-125.7	-16.3	110	L244 S248 M249 L698 C699	L244-R246 PolarHBondContact O-N 2.8Å; R246-S248 PolarHBondContact O-N 2.85Å; R246-S248 VanDerWaalsContact O-N 3.16Å; R246-M249 HydrophobicContact CB-CB 4.42Å; R246-M249 HydrophobicContact CB-CG 3.62Å; R246-M249 WeakPolarHBondContact O-CB 3.5Å; R246-M249 PolarHBondContact O-N 3.08Å; R246-L698 PolarHBondContact NH1-O 2.99Å; R246-L698 PolarHBondContact NH2-O 2.82Å; R246-C699 PolarHBondContact NH2-SG 2.99Å
247	T	36.9	Very low	47.7	Very low	130 Å²	130	65.5 Å²	65.5	80%	0.798	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-43.9	119.1	169.5	45.3	0	0	0	0	110.2	Q245	Q245-T247 VanDerWaalsContact C-N 3.32Å; Q245-T247 PolarHBondContact O-N 3.03Å
248	S	40.5	Very low	49.7	Very low	117 Å²	117	59.9 Å²	59.9	82%	0.818	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.1	-6.2	-172.8	80	0	0	0	0	119.2	R246 N250	R246-S248 PolarHBondContact O-N 2.85Å; R246-S248 VanDerWaalsContact O-N 3.16Å; S248-N250 PolarHBondContact O-N 3.41Å
249	M	43.7	Very low	51.5	Low	42 Å²	42	56.7 Å²	56.7	21%	0.207	30%	0.296	C	S	.	.			trans	-71.5	96.7	169.1	-73.4	-82	-165.4	0	0	111.1	R246 L251	R246-M249 HydrophobicContact CB-CB 4.42Å; R246-M249 HydrophobicContact CB-CG 3.62Å; R246-M249 WeakPolarHBondContact O-CB 3.5Å; R246-M249 PolarHBondContact O-N 3.08Å; M249-L251 HydrophobicContact CB-CD1 4.28Å; M249-L251 HydrophobicContact CB-CG 4.13Å; M249-L251 PolarHBondContact O-N 2.9Å
250	N	50.6	Low	53.6	Low	139 Å²	139	54 Å²	54	74%	0.743	29%	0.291	S	S	*	.			trans	-71.6	70.8	171.5	-94.8	-25.9	0	0	0	111.1	S248	S248-N250 PolarHBondContact O-N 3.41Å
251	L	55.2	Low	56	Low	20 Å²	20	56.2 Å²	56.2	11%	0.105	30%	0.298	C	S	.	.			trans	-73.8	132.8	177.8	-68	164.9	0	0	0	110.8	L243 L244 M249 L288 C289 A290	L243-L251 HydrophobicContact CB-CD1 3.64Å; L243-L251 WeakPolarHBondContact O-CD1 3.5Å; L244-L251 HydrophobicContact CD2-CB 4.15Å; L244-L251 HydrophobicContact CD2-CD1 3.95Å; L244-L251 HydrophobicContact CG-CD1 4.19Å; M249-L251 HydrophobicContact CB-CD1 4.28Å; M249-L251 HydrophobicContact CB-CG 4.13Å; M249-L251 PolarHBondContact O-N 2.9Å; L251-L288 HydrophobicContact CD2-CD1 4.03Å; L251-L288 HydrophobicContact CD2-CD2 4.16Å; L251-L288 HydrophobicContact CD2-CG 4.09Å; L251-C289 WeakPolarHBondContact CA-O 3.4Å; L251-A290 HydrophobicContact CD2-CB 3.58Å
252	S	59.3	Low	58.4	Low	8 Å²	8	50 Å²	50	6%	0.056	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	137.2	168	45.3	0	0	0	0	109.6	C289	S252-C289 PolarHBondContact N-O 3.44Å; S252-C289 WeakPolarHBondContact O-CB 3.36Å; S252-C289 PolarHBondContact O-N 3.42Å; S252-C289 PolarHBondContact O-SG 3.28Å
253	F	66.8	Low	60.6	Low	29 Å²	29	50.2 Å²	50.2	13%	0.127	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	130.8	172.5	-69.7	-103.8	0	0	0	108.1	L221 W224 Q287 L288 I302	L221-F253 HydrophobicContact CB-CB 4.13Å; L221-F253 WeakPolarHBondContact CB-O 3.4Å; L221-F253 HydrophobicContact CD1-CB 3.94Å; L221-F253 HydrophobicContact CG-CB 4.35Å; L221-F253 PolarHBondContact N-O 2.75Å; W224-F253 AromaticContact CD1-CD2 3.54Å; W224-F253 AromaticContact CD1-CE2 3.43Å; W224-F253 VanDerWaalsContact CD1-CE2 3.43Å; W224-F253 AromaticContact NE1-CD2 3.33Å; W224-F253 VanDerWaalsContact NE1-CD2 3.33Å; W224-F253 AromaticContact NE1-CE2 3.27Å; W224-F253 VanDerWaalsContact NE1-CE2 3.27Å; W224-F253 AromaticContact NE1-CG 3.91Å; W224-F253 AromaticContact NE1-CZ 3.79Å; F253-Q287 WeakPolarHBondContact CA-O 3.33Å; F253-L288 HydrophobicContact CD1-CD1 3.89Å; F253-L288 HydrophobicContact CD2-CD1 4.03Å; F253-L288 HydrophobicContact CE1-CD1 3.54Å; F253-L288 HydrophobicContact CE2-CD1 3.67Å; F253-L288 HydrophobicContact CG-CD1 4.14Å; F253-L288 HydrophobicContact CZ-CD1 3.43Å; F253-L288 VanDerWaalsContact CZ-CD1 3.43Å; F253-I302 HydrophobicContact CE1-CD1 4.28Å
254	N	68.5	Low	62.4	Low	2 Å²	2	52.7 Å²	52.7	1%	0.011	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	124.8	175.9	-76.2	-12	0	0	0	108.8	P64 I218 Y219 R220 Q287 C289	P64-N254 PolarHBondContact O-ND2 2.9Å; I218-N254 HydrophobicContact CG2-CB 3.92Å; Y219-N254 CarbonylContact O-C 3.39Å; Y219-N254 VanDerWaalsContact O-CA 3.3Å; Y219-N254 WeakPolarHBondContact O-CA 3.38Å; R220-N254 WeakPolarHBondContact CA-OD1 3.4Å; N254-Q287 PolarHBondContact N-O 2.98Å; N254-Q287 PolarHBondContact O-N 3.02Å; N254-C289 VanDerWaalsContact CG-SG 3.51Å; N254-C289 PolarHBondContact ND2-SG 3.4Å
255	L	74.6	Confident	64.4	Low	25 Å²	25	57 Å²	57	13%	0.131	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	122.3	167.7	-173.1	72.1	0	0	0	107.8	I218 Y219 L221 T257 C284 L286 L812	I218-L255 WeakPolarHBondContact CA-O 3.37Å; Y219-L255 HydrophobicContact CD2-CB 4.47Å; Y219-L255 WeakPolarHBondContact CD2-O 3.28Å; Y219-L255 PolarHBondContact N-O 3.13Å; Y219-L255 PolarHBondContact O-N 3.25Å; L221-L255 HydrophobicContact CD2-CB 4.31Å; L255-T257 HydrophobicContact CD2-CG2 4.43Å; L255-T257 HydrophobicContact CG-CG2 4.42Å; L255-C284 VanDerWaalsContact CD1-SG 3.56Å; L255-L286 HydrophobicContact CD1-CD1 4.26Å; L255-L812 HydrophobicContact CD2-CD1 4.32Å; L255-L812 HydrophobicContact CD2-CD2 3.89Å
256	A	74.7	Confident	66.3	Low	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	115.7	176.6	0	0	0	0	0	110.4	R216 F217 I218 Q285	R216-A256 VanDerWaalsContact NH2-CB 3.31Å; F217-A256 CarbonylContact O-C 3.48Å; F217-A256 VanDerWaalsContact O-CA 3.3Å; F217-A256 WeakPolarHBondContact O-CA 3.33Å; I218-A256 HydrophobicContact CG1-CB 4.4Å; A256-Q285 HydrophobicContact CB-CB 4.36Å; A256-Q285 PolarHBondContact N-O 3.37Å; A256-Q285 PolarHBondContact O-N 3.29Å
257	T	79.1	Confident	68.2	Low	3 Å²	3	51.3 Å²	51.3	2%	0.018	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	130	175.3	64.3	0	0	0	0	109.5	R216 F217 Y219 L255 P278 A281 I283	R216-T257 CarbonylContact C-O 3.21Å; R216-T257 VanDerWaalsContact CA-O 3.28Å; R216-T257 WeakPolarHBondContact CA-O 3.38Å; F217-T257 PolarHBondContact N-O 2.91Å; F217-T257 PolarHBondContact O-N 3.39Å; Y219-T257 HydrophobicContact CE2-CG2 4.32Å; L255-T257 HydrophobicContact CD2-CG2 4.43Å; L255-T257 HydrophobicContact CG-CG2 4.42Å; T257-P278 HydrophobicContact CG2-CB 3.71Å; T257-A281 HydrophobicContact CG2-CB 4.35Å; T257-I283 CarbonylContact C-O 3.27Å; T257-I283 WeakPolarHBondContact CA-O 3.35Å
258	T	76.2	Confident	70.3	Confident	22 Å²	22	47.2 Å²	47.2	14%	0.135	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	128.1	-171.2	-53.8	0	0	0	0	111.4	A215 R216 P260 I283	A215-T258 WeakPolarHBondContact O-CA 3.4Å; R216-T258 HydrophobicContact CB-CG2 4.27Å; R216-T258 WeakPolarHBondContact CG-OG1 3.2Å; T258-P260 WeakPolarHBondContact O-CD 3.23Å; T258-I283 PolarHBondContact N-O 2.96Å; T258-I283 PolarHBondContact O-N 3.15Å
259	W	78.7	Confident	72	Confident	36 Å²	36	49.1 Å²	49.1	14%	0.136	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	100	170.3	-67.7	82.6	0	0	0	107.9	S214 A215 F217 L261 V262 P263 L276 K277 G280 A281 P282	S214-W259 CarbonylContact C-O 3.57Å; S214-W259 VanDerWaalsContact CA-O 3.31Å; S214-W259 WeakPolarHBondContact CA-O 3.17Å; A215-W259 HydrophobicContact CB-CB 4.4Å; A215-W259 PolarHBondContact N-O 3.3Å; A215-W259 PolarHBondContact O-N 3.33Å; F217-W259 AromaticContact CE2-CD1 3.88Å; W259-L261 VanDerWaalsContact C-N 3.28Å; W259-L261 PolarHBondContact O-N 2.88Å; W259-V262 HydrophobicContact CB-CG2 4.36Å; W259-P263 HydrophobicContact CZ3-CG 4.41Å; W259-L276 HydrophobicContact CD2-CD2 3.93Å; W259-L276 HydrophobicContact CE3-CD2 4.08Å; W259-L276 HydrophobicContact CG-CD1 4.27Å; W259-L276 HydrophobicContact CG-CD2 4.44Å; W259-L276 HydrophobicContact CH2-CD2 4.37Å; W259-L276 HydrophobicContact CZ2-CB 4.39Å; W259-L276 HydrophobicContact CZ2-CD2 4.21Å; W259-L276 HydrophobicContact CZ3-CD2 4.3Å; W259-K277 WeakPolarHBondContact CZ2-O 3.41Å; W259-G280 VanDerWaalsContact CH2-O 3.24Å; W259-G280 WeakPolarHBondContact CH2-O 3.26Å; W259-G280 WeakPolarHBondContact CZ2-O 3.44Å; W259-A281 HydrophobicContact CZ2-CB 4.47Å; W259-P282 HydrophobicContact CE3-CG 4.44Å
260	P	74.5	Confident	73.6	Confident	65 Å²	65	53.6 Å²	53.6	42%	0.422	28%	0.282	S	S	.	.	S	Bend	trans	-64.9	-33.4	-177.8	24.8	-33.2	0	0	0	112.3	S214 T258 I283	S214-P260 WeakPolarHBondContact CB-O 3.37Å; S214-P260 PolarHBondContact OG-O 3.16Å; T258-P260 WeakPolarHBondContact O-CD 3.23Å; P260-I283 HydrophobicContact CG-CD1 4.28Å
261	L	79.5	Confident	74.6	Confident	103 Å²	103	48.4 Å²	48.4	54%	0.539	26%	0.256	S	S	.	.	S	Bend	trans	-129.2	117.6	169.3	-167.8	76	0	0	0	108.9	D212 I213 W259	D212-L261 HydrophobicContact CB-CD1 3.97Å; I213-L261 CarbonylContact O-C 3.5Å; I213-L261 WeakPolarHBondContact O-CA 3.47Å; W259-L261 VanDerWaalsContact C-N 3.28Å; W259-L261 PolarHBondContact O-N 2.88Å
262	V	83.1	Confident	75.4	Confident	10 Å²	10	47.5 Å²	47.5	6%	0.061	25%	0.251	C	S	.	.			trans	-74.4	125.3	175.2	174.3	0	0	0	0	109.3	L187 I213 A215 W259 A266 I267 L276	L187-V262 HydrophobicContact CD1-CG1 3.99Å; I213-V262 HydrophobicContact CB-CB 4.19Å; I213-V262 HydrophobicContact CB-CG2 4.32Å; I213-V262 HydrophobicContact CG2-CB 4.26Å; I213-V262 HydrophobicContact CG2-CG2 3.94Å; I213-V262 WeakPolarHBondContact O-CG2 3.18Å; I213-V262 PolarHBondContact O-N 2.75Å; A215-V262 HydrophobicContact CB-CG2 3.56Å; W259-V262 HydrophobicContact CB-CG2 4.36Å; V262-A266 HydrophobicContact CG1-CB 3.96Å; V262-I267 HydrophobicContact CG1-CG1 4.23Å; V262-L276 HydrophobicContact CG1-CD1 4.06Å; V262-L276 HydrophobicContact CG1-CD2 4.49Å; V262-L276 HydrophobicContact CG2-CD1 4.02Å
263	P	80.2	Confident	75.9	Confident	40 Å²	40	49.2 Å²	49.2	26%	0.26	26%	0.256	S	S	.	.			trans	-59.6	142.2	176.1	-24.6	34.6	0	0	0	112.4	W259 H265 A266	W259-P263 HydrophobicContact CZ3-CG 4.41Å; P263-H265 WeakPolarHBondContact CB-CE1 3.26Å; P263-H265 PolarHBondContact O-N 2.7Å; P263-H265 VanDerWaalsContact O-N 3.13Å; P263-A266 WeakPolarHBondContact O-CB 3.37Å; P263-A266 PolarHBondContact O-N 2.8Å
264	S	74.9	Confident	76.3	Confident	101 Å²	101	53.7 Å²	53.7	71%	0.706	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-55.2	-34.8	-178.7	53.9	0	0	0	0	113.7	A266 I267	S264-A266 VanDerWaalsContact C-N 3.28Å; S264-A266 PolarHBondContact O-N 2.93Å; S264-I267 PolarHBondContact O-N 2.9Å
265	H	77.9	Confident	76.6	Confident	147 Å²	147	55.8 Å²	55.8	68%	0.681	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-71.3	-16.2	177.7	66.6	-104.8	0	0	0	114.4	P263	P263-H265 WeakPolarHBondContact CB-CE1 3.26Å; P263-H265 PolarHBondContact O-N 2.7Å; P263-H265 VanDerWaalsContact O-N 3.13Å
266	A	80	Confident	76.8	Confident	1 Å²	1	54.7 Å²	54.7	1%	0.008	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-86.3	-17.8	177	0	0	0	0	0	112.6	V262 P263 S264 T268 L276	V262-A266 HydrophobicContact CG1-CB 3.96Å; P263-A266 WeakPolarHBondContact O-CB 3.37Å; P263-A266 PolarHBondContact O-N 2.8Å; S264-A266 VanDerWaalsContact C-N 3.28Å; S264-A266 PolarHBondContact O-N 2.93Å; A266-T268 PolarHBondContact O-N 2.78Å; A266-L276 HydrophobicContact CB-CD2 3.61Å; A266-L276 HydrophobicContact CB-CG 4.08Å
267	I	78.6	Confident	76.8	Confident	38 Å²	38	61 Å²	61	20%	0.195	31%	0.313	C	S	.	.			trans	-73.1	92.6	175.3	-52.6	172.8	0	0	0	108.4	L187 K191 I213 V262 S264	L187-I267 HydrophobicContact CB-CG2 4.2Å; K191-I267 HydrophobicContact CD-CG2 4.15Å; I213-I267 HydrophobicContact CD1-CD1 3.72Å; I213-I267 HydrophobicContact CD1-CG1 4.17Å; V262-I267 HydrophobicContact CG1-CG1 4.23Å; S264-I267 PolarHBondContact O-N 2.9Å
268	T	79.5	Confident	76.4	Confident	43 Å²	43	61.6 Å²	61.6	26%	0.264	32%	0.316	S	S	.	.	S	Bend	trans	-137.7	168.2	-175	62.5	0	0	0	0	111	S188 A266 K270	S188-T268 VanDerWaalsContact OG-C 3.26Å; S188-T268 PolarHBondContact OG-O 2.75Å; A266-T268 PolarHBondContact O-N 2.78Å; T268-K270 PolarHBondContact O-N 3.15Å; T268-K270 PolarHBondContact OG1-N 2.82Å
269	E	76.3	Confident	76	Confident	158 Å²	158	67.4 Å²	67.4	74%	0.738	34%	0.342	S	S	*	.	S	Bend	trans	-72.7	4	172.4	-64	175	-177.2	0	0	113.5	H186 S188	H186-E269 PolarHBondContact ND1-O 2.89Å; S188-E269 WeakPolarHBondContact OG-CA 3.26Å; S188-E269 WeakPolarHBondContact OG-CG 3.27Å; S188-E269 PolarHBondContact OG-N 2.76Å
270	K	77.9	Confident	75.7	Confident	136 Å²	136	67.9 Å²	67.9	59%	0.591	36%	0.358	S	S	*	.	S	Bend	trans	-93.9	148.6	176	-65.2	176.4	-177.2	171.8	0	109.8	T268 S272	T268-K270 PolarHBondContact O-N 3.15Å; T268-K270 PolarHBondContact OG1-N 2.82Å; K270-S272 PolarHBondContact O-N 2.83Å
271	P	72.4	Confident	75.7	Confident	29 Å²	29	65.6 Å²	65.6	19%	0.188	34%	0.344	C	S	.	.			trans	-53.4	130.4	172	-26.5	34.2	0	0	0	111.5	W273 K274	P271-W273 VanDerWaalsContact C-N 3.28Å; P271-W273 HydrophobicContact CB-CD2 4.45Å; P271-W273 HydrophobicContact CB-CZ2 4.14Å; P271-W273 VanDerWaalsContact CB-NE1 3.3Å; P271-W273 PolarHBondContact O-N 3.32Å; P271-W273 VanDerWaalsContact O-N 3.16Å; P271-K274 WeakPolarHBondContact O-CB 3.36Å; P271-K274 PolarHBondContact O-N 3.05Å
272	S	71.6	Confident	75.3	Confident	1 Å²	1	64.9 Å²	64.9	1%	0.007	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-63.1	-30.8	-161	-39	0	0	0	0	114.1	L187 K270 K274 S275 L276 Y820	L187-S272 WeakPolarHBondContact CG-OG 3.27Å; K270-S272 PolarHBondContact O-N 2.83Å; S272-K274 PolarHBondContact O-N 3.23Å; S272-K274 VanDerWaalsContact O-N 3.15Å; S272-S275 PolarHBondContact O-N 2.98Å; S272-L276 PolarHBondContact O-N 3.28Å; S272-Y820 WeakPolarHBondContact CB-OH 3.27Å; S272-Y820 PolarHBondContact OG-OH 3.43Å
273	W	69.9	Low	74.7	Confident	44 Å²	44	67.8 Å²	67.8	17%	0.167	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-61.7	-16.2	174.8	54.9	-96.3	0	0	0	114.2	P271 P815 Y854	P271-W273 VanDerWaalsContact C-N 3.28Å; P271-W273 HydrophobicContact CB-CD2 4.45Å; P271-W273 HydrophobicContact CB-CZ2 4.14Å; P271-W273 VanDerWaalsContact CB-NE1 3.3Å; P271-W273 PolarHBondContact O-N 3.32Å; P271-W273 VanDerWaalsContact O-N 3.16Å; W273-P815 HydrophobicContact CB-CG 4.24Å; W273-P815 HydrophobicContact CG-CG 4.5Å; W273-Y854 PolarHBondContact NE1-OH 3.24Å
274	K	74.7	Confident	74.2	Confident	123 Å²	123	68.3 Å²	68.3	54%	0.535	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-77.2	-26.4	171.2	-64.1	-176	-178.3	176.5	0	112.8	P271 S272	P271-K274 WeakPolarHBondContact O-CB 3.36Å; P271-K274 PolarHBondContact O-N 3.05Å; S272-K274 PolarHBondContact O-N 3.23Å; S272-K274 VanDerWaalsContact O-N 3.15Å
275	S	74.8	Confident	73.7	Confident	46 Å²	46	64.5 Å²	64.5	32%	0.322	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-39.5	-177.8	-55.6	0	0	0	0	111.6	S272	S272-S275 PolarHBondContact O-N 2.98Å
276	L	77.9	Confident	73	Confident	3 Å²	3	57.9 Å²	57.9	2%	0.016	31%	0.305	C	S	.	.	S	Bend	trans	-101.9	97.5	-179.4	-61.5	179	0	0	0	109.9	A215 F217 W259 V262 A266 S272	A215-L276 HydrophobicContact CB-CD1 4.08Å; F217-L276 HydrophobicContact CE2-CB 3.63Å; F217-L276 HydrophobicContact CE2-CD1 3.92Å; F217-L276 HydrophobicContact CE2-CG 4.43Å; F217-L276 HydrophobicContact CZ-CB 3.94Å; F217-L276 HydrophobicContact CZ-CD1 3.93Å; W259-L276 HydrophobicContact CD2-CD2 3.93Å; W259-L276 HydrophobicContact CE3-CD2 4.08Å; W259-L276 HydrophobicContact CG-CD1 4.27Å; W259-L276 HydrophobicContact CG-CD2 4.44Å; W259-L276 HydrophobicContact CH2-CD2 4.37Å; W259-L276 HydrophobicContact CZ2-CB 4.39Å; W259-L276 HydrophobicContact CZ2-CD2 4.21Å; W259-L276 HydrophobicContact CZ3-CD2 4.3Å; V262-L276 HydrophobicContact CG1-CD1 4.06Å; V262-L276 HydrophobicContact CG1-CD2 4.49Å; V262-L276 HydrophobicContact CG2-CD1 4.02Å; A266-L276 HydrophobicContact CB-CD2 3.61Å; A266-L276 HydrophobicContact CB-CG 4.08Å; S272-L276 PolarHBondContact O-N 3.28Å
277	K	75.3	Confident	72.1	Confident	132 Å²	132	58.2 Å²	58.2	57%	0.574	31%	0.307	S	S	*	.			trans	-72.5	136.7	174.5	-70.8	-174.1	167.6	-161.2	0	111	W259 E279 G280	W259-K277 WeakPolarHBondContact CZ2-O 3.41Å; K277-E279 VanDerWaalsContact C-N 3.27Å; K277-E279 IonicContact NZ-OE2 2.66Å; K277-E279 PolarHBondContact O-N 2.88Å; K277-G280 PolarHBondContact O-N 2.98Å
278	P	70.8	Confident	71.2	Confident	15 Å²	15	56.5 Å²	56.5	10%	0.097	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-65	-30.6	176.1	24.1	-31.5	0	0	0	113.2	Y219 T257 G280 A281 L812	Y219-P278 HydrophobicContact CE2-CB 3.8Å; Y219-P278 HydrophobicContact CE2-CG 4.3Å; Y219-P278 WeakPolarHBondContact OH-CB 3.49Å; Y219-P278 WeakPolarHBondContact OH-CG 3.35Å; T257-P278 HydrophobicContact CG2-CB 3.71Å; P278-G280 PolarHBondContact O-N 2.93Å; P278-A281 WeakPolarHBondContact O-CB 3.03Å; P278-A281 PolarHBondContact O-N 2.85Å; P278-A281 VanDerWaalsContact O-N 3.17Å; P278-L812 HydrophobicContact CB-CB 4.46Å; P278-L812 HydrophobicContact CG-CB 3.5Å; P278-L812 HydrophobicContact CG-CD1 4.3Å; P278-L812 WeakPolarHBondContact CG-O 3.47Å
279	E	68.6	Low	70	Confident	145 Å²	145	54.9 Å²	54.9	68%	0.678	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-55.9	-32.2	175.6	-63.2	158.5	177.6	0	0	113	K277	K277-E279 VanDerWaalsContact C-N 3.27Å; K277-E279 IonicContact NZ-OE2 2.66Å; K277-E279 PolarHBondContact O-N 2.88Å
280	G	71.7	Confident	69	Low	46 Å²	46	48.8 Å²	48.8	47%	0.474	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-101.5	10.2	-178.8	0	0	0	0	0	114.3	W259 K277 P278	W259-G280 VanDerWaalsContact CH2-O 3.24Å; W259-G280 WeakPolarHBondContact CH2-O 3.26Å; W259-G280 WeakPolarHBondContact CZ2-O 3.44Å; K277-G280 PolarHBondContact O-N 2.98Å; P278-G280 PolarHBondContact O-N 2.93Å
281	A	74.3	Confident	67.6	Low	16 Å²	16	47.3 Å²	47.3	13%	0.132	27%	0.272	C	S	.	.			trans	-72.6	129	-176.9	0	0	0	0	0	111.2	T257 W259 P278 I283	T257-A281 HydrophobicContact CG2-CB 4.35Å; W259-A281 HydrophobicContact CZ2-CB 4.47Å; P278-A281 WeakPolarHBondContact O-CB 3.03Å; P278-A281 PolarHBondContact O-N 2.85Å; P278-A281 VanDerWaalsContact O-N 3.17Å; A281-I283 PolarHBondContact O-N 2.96Å; A281-I283 VanDerWaalsContact O-N 3.12Å
282	P	70.2	Confident	66.5	Low	89 Å²	89	49 Å²	49	58%	0.578	28%	0.279	S	S	*	.	S	Bend	trans	-59.9	-26.4	-177.6	-27.4	35.5	0	0	0	115.1	W259	W259-P282 HydrophobicContact CE3-CG 4.44Å
283	I	71.1	Confident	65.2	Low	71 Å²	71	52.2 Å²	52.2	36%	0.364	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	121	-177.7	-62	166.9	0	0	0	108.5	T257 T258 P260 A281 Q285	T257-I283 CarbonylContact C-O 3.27Å; T257-I283 WeakPolarHBondContact CA-O 3.35Å; T258-I283 PolarHBondContact N-O 2.96Å; T258-I283 PolarHBondContact O-N 3.15Å; P260-I283 HydrophobicContact CG-CD1 4.28Å; A281-I283 PolarHBondContact O-N 2.96Å; A281-I283 VanDerWaalsContact O-N 3.12Å; I283-Q285 HydrophobicContact CG2-CG 4.1Å
284	C	69.5	Low	64	Low	51 Å²	51	53.4 Å²	53.4	35%	0.345	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	137.4	172.7	-165.4	0	0	0	0	110.2	L255	L255-C284 VanDerWaalsContact CD1-SG 3.56Å
285	Q	63.8	Low	62.7	Low	21 Å²	21	47.8 Å²	47.8	10%	0.098	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	123.5	178.8	-47.1	-168.1	-41.1	0	0	109.1	R216 A256 I283 Q303	R216-Q285 VanDerWaalsContact NH2-OE1 3.15Å; A256-Q285 HydrophobicContact CB-CB 4.36Å; A256-Q285 PolarHBondContact N-O 3.37Å; A256-Q285 PolarHBondContact O-N 3.29Å; I283-Q285 HydrophobicContact CG2-CG 4.1Å; Q285-Q303 VanDerWaalsContact CG-NE2 3.35Å
286	L	65	Low	61.2	Low	8 Å²	8	47.9 Å²	47.9	4%	0.042	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	129.2	169.5	-175.2	63.8	0	0	0	109	L221 L255 I302 W803	L221-L286 HydrophobicContact CD1-CD1 3.98Å; L255-L286 HydrophobicContact CD1-CD1 4.26Å; L286-I302 HydrophobicContact CB-CG2 4.39Å; L286-I302 HydrophobicContact CD2-CG2 3.65Å; L286-I302 HydrophobicContact CG-CG2 4.03Å; L286-W803 HydrophobicContact CD2-CE3 4.35Å; L286-W803 HydrophobicContact CD2-CH2 3.69Å; L286-W803 HydrophobicContact CD2-CZ3 3.39Å
287	Q	59.2	Low	59.8	Low	7 Å²	7	52.5 Å²	52.5	3%	0.033	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	133.5	-173.1	-160.7	167.5	10.1	0	0	110.5	I62 P64 F253 N254	I62-Q287 PolarHBondContact O-NE2 2.79Å; P64-Q287 HydrophobicContact CG-CG 3.94Å; F253-Q287 WeakPolarHBondContact CA-O 3.33Å; N254-Q287 PolarHBondContact N-O 2.98Å; N254-Q287 PolarHBondContact O-N 3.02Å
288	L	60.2	Low	58.6	Low	2 Å²	2	47.5 Å²	47.5	1%	0.01	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	131.4	173	-172.8	72.5	0	0	0	109	L243 L251 F253 M298 S299 I302	L243-L288 HydrophobicContact CD1-CD2 4.31Å; L251-L288 HydrophobicContact CD2-CD1 4.03Å; L251-L288 HydrophobicContact CD2-CD2 4.16Å; L251-L288 HydrophobicContact CD2-CG 4.09Å; F253-L288 HydrophobicContact CD1-CD1 3.89Å; F253-L288 HydrophobicContact CD2-CD1 4.03Å; F253-L288 HydrophobicContact CE1-CD1 3.54Å; F253-L288 HydrophobicContact CE2-CD1 3.67Å; F253-L288 HydrophobicContact CG-CD1 4.14Å; F253-L288 HydrophobicContact CZ-CD1 3.43Å; F253-L288 VanDerWaalsContact CZ-CD1 3.43Å; L288-M298 HydrophobicContact CD2-CB 3.87Å; L288-M298 HydrophobicContact CD2-CG 3.66Å; L288-S299 WeakPolarHBondContact CA-OG 3.46Å; L288-S299 PolarHBondContact N-OG 2.95Å; L288-S299 PolarHBondContact O-OG 3.16Å; L288-I302 HydrophobicContact CB-CD1 4.08Å; L288-I302 HydrophobicContact CD2-CD1 4.25Å
289	C	54.2	Low	57.6	Low	9 Å²	9	47 Å²	47	6%	0.061	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	119.4	-178.4	-21.8	0	0	0	0	108.3	P64 L251 S252 N254	P64-C289 HydrophobicContact CG-CB 3.96Å; P64-C289 WeakPolarHBondContact CG-SG 3.31Å; L251-C289 WeakPolarHBondContact CA-O 3.4Å; S252-C289 PolarHBondContact N-O 3.44Å; S252-C289 WeakPolarHBondContact O-CB 3.36Å; S252-C289 PolarHBondContact O-N 3.42Å; S252-C289 PolarHBondContact O-SG 3.28Å; N254-C289 VanDerWaalsContact CG-SG 3.51Å; N254-C289 PolarHBondContact ND2-SG 3.4Å
290	A	55.7	Low	56.7	Low	31 Å²	31	42.8 Å²	42.8	26%	0.256	26%	0.26	S	S	.	.			trans	-130.3	173.2	172.4	0	0	0	0	0	109.7	L251 N292 A295	L251-A290 HydrophobicContact CD2-CB 3.58Å; A290-N292 PolarHBondContact O-N 3.28Å; A290-A295 HydrophobicContact CB-CB 3.76Å
291	S	49.6	Very low	55.5	Low	104 Å²	104	47 Å²	47	73%	0.727	26%	0.262	S	S	*	.	S	Bend	trans	-74.8	5	169	46.9	0	0	0	0	114.1
292	N	48.3	Very low	54.5	Low	66 Å²	66	47.2 Å²	47.2	35%	0.353	26%	0.26	S	S	.	.	S	Bend	trans	-127.2	139.3	-168.7	-178.8	-45.5	0	0	0	111	A290 F294 A295	A290-N292 PolarHBondContact O-N 3.28Å; N292-F294 PolarHBondContact O-N 2.83Å; N292-F294 WeakPolarHBondContact OD1-CB 3.49Å; N292-F294 PolarHBondContact OD1-N 2.87Å; N292-A295 WeakPolarHBondContact O-CB 3.42Å; N292-A295 PolarHBondContact O-N 2.98Å
293	P	43.9	Very low	53.5	Low	68 Å²	68	44.6 Å²	44.6	44%	0.442	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-43.3	-31.5	173	6.2	-23.1	0	0	0	116.2	V11 A295 D296	V11-P293 HydrophobicContact CB-CB 4.32Å; V11-P293 HydrophobicContact CG1-CB 3.69Å; V11-P293 HydrophobicContact CG2-CB 3.61Å; V11-P293 HydrophobicContact CG2-CG 3.88Å; P293-A295 PolarHBondContact O-N 2.78Å; P293-A295 VanDerWaalsContact O-N 3.09Å; P293-D296 PolarHBondContact O-N 2.9Å; P293-D296 VanDerWaalsContact O-N 3.16Å
294	F	44.7	Very low	52.4	Low	68 Å²	68	47 Å²	47	30%	0.298	25%	0.245	S	C	.	.	H	α-helix	trans	-54.9	-27.7	178.4	-170.8	-97.8	0	0	0	113.3	L243 N292 D296 K297 M298	L243-F294 HydrophobicContact CD2-CE1 4.35Å; N292-F294 PolarHBondContact O-N 2.83Å; N292-F294 WeakPolarHBondContact OD1-CB 3.49Å; N292-F294 PolarHBondContact OD1-N 2.87Å; F294-D296 VanDerWaalsContact C-N 3.26Å; F294-D296 PolarHBondContact O-N 2.8Å; F294-K297 PolarHBondContact O-N 3.29Å; F294-M298 HydrophobicContact CD1-CB 4.15Å; F294-M298 HydrophobicContact CE1-CB 3.95Å; F294-M298 HydrophobicContact CE1-CG 4.11Å; F294-M298 HydrophobicContact CE1-SD 4.25Å; F294-M298 HydrophobicContact CZ-SD 4.41Å; F294-M298 VanDerWaalsContact O-CB 3.27Å; F294-M298 WeakPolarHBondContact O-CB 3.48Å; F294-M298 PolarHBondContact O-N 3.13Å
295	A	47.3	Very low	51.3	Low	5 Å²	5	48.1 Å²	48.1	4%	0.041	24%	0.244	C	C	.	.	H	α-helix	trans	-57	-36.1	178.2	0	0	0	0	0	113.4	A290 N292 P293 S299	A290-A295 HydrophobicContact CB-CB 3.76Å; N292-A295 WeakPolarHBondContact O-CB 3.42Å; N292-A295 PolarHBondContact O-N 2.98Å; P293-A295 PolarHBondContact O-N 2.78Å; P293-A295 VanDerWaalsContact O-N 3.09Å; A295-S299 VanDerWaalsContact O-CB 3.26Å; A295-S299 WeakPolarHBondContact O-CB 3.32Å; A295-S299 PolarHBondContact O-N 2.82Å; A295-S299 PolarHBondContact O-OG 3.24Å
296	D	44.5	Very low	50.3	Low	49 Å²	49	50 Å²	50	26%	0.262	25%	0.252	S	S	.	.	H	α-helix	trans	-77.5	-45.8	-176.7	-66.2	-30.6	0	0	0	111.4	T63 P293 F294 M298 S299 V300	T63-D296 WeakPolarHBondContact CG2-OD1 2.79Å; T63-D296 WeakPolarHBondContact CG2-OD2 3.43Å; P293-D296 PolarHBondContact O-N 2.9Å; P293-D296 VanDerWaalsContact O-N 3.16Å; F294-D296 VanDerWaalsContact C-N 3.26Å; F294-D296 PolarHBondContact O-N 2.8Å; D296-M298 VanDerWaalsContact C-N 3.3Å; D296-M298 PolarHBondContact O-N 2.82Å; D296-S299 WeakPolarHBondContact O-CB 3.43Å; D296-S299 PolarHBondContact O-N 2.9Å; D296-V300 WeakPolarHBondContact O-CG2 3.41Å; D296-V300 PolarHBondContact O-N 2.91Å
297	K	48.1	Very low	49.5	Very low	99 Å²	99	55.8 Å²	55.8	43%	0.43	28%	0.277	S	S	.	.	H	α-helix	trans	-58.6	-43	172.3	-70.8	-169.3	179.8	-174.4	0	111.1	F294 V300 R301 L363 F365	F294-K297 PolarHBondContact O-N 3.29Å; K297-V300 PolarHBondContact O-N 2.82Å; K297-R301 PolarHBondContact O-N 2.84Å; K297-R301 VanDerWaalsContact O-N 3.13Å; K297-L363 PolarHBondContact NZ-O 2.91Å; K297-F365 PolarHBondContact NZ-O 3.27Å
298	M	50.4	Low	48.6	Very low	27 Å²	27	59.6 Å²	59.6	13%	0.133	30%	0.304	C	S	.	.	H	α-helix	trans	-71.1	-35.4	178.8	-165.4	63	178.3	0	0	112.3	L243 L288 F294 D296 V300 R301 I302	L243-M298 HydrophobicContact CD1-CE 4.27Å; L243-M298 HydrophobicContact CD2-CE 4.48Å; L288-M298 HydrophobicContact CD2-CB 3.87Å; L288-M298 HydrophobicContact CD2-CG 3.66Å; F294-M298 HydrophobicContact CD1-CB 4.15Å; F294-M298 HydrophobicContact CE1-CB 3.95Å; F294-M298 HydrophobicContact CE1-CG 4.11Å; F294-M298 HydrophobicContact CE1-SD 4.25Å; F294-M298 HydrophobicContact CZ-SD 4.41Å; F294-M298 VanDerWaalsContact O-CB 3.27Å; F294-M298 WeakPolarHBondContact O-CB 3.48Å; F294-M298 PolarHBondContact O-N 3.13Å; D296-M298 VanDerWaalsContact C-N 3.3Å; D296-M298 PolarHBondContact O-N 2.82Å; M298-V300 VanDerWaalsContact C-N 3.34Å; M298-V300 PolarHBondContact O-N 3.01Å; M298-R301 PolarHBondContact O-N 3.08Å; M298-I302 HydrophobicContact CE-CD1 4.47Å; M298-I302 HydrophobicContact CE-CG1 4.5Å; M298-I302 HydrophobicContact CG-CD1 3.93Å; M298-I302 HydrophobicContact CG-CG1 4.46Å; M298-I302 WeakPolarHBondContact O-CB 3.29Å; M298-I302 VanDerWaalsContact O-CG1 3.29Å; M298-I302 WeakPolarHBondContact O-CG1 3.12Å; M298-I302 PolarHBondContact O-N 2.93Å
299	S	49	Very low	47.4	Very low	5 Å²	5	61.4 Å²	61.4	4%	0.035	32%	0.316	C	S	.	.	H	α-helix	trans	-58	-45.7	170.8	-69.2	0	0	0	0	111.8	L288 A295 D296 R301 I302 Q303	L288-S299 WeakPolarHBondContact CA-OG 3.46Å; L288-S299 PolarHBondContact N-OG 2.95Å; L288-S299 PolarHBondContact O-OG 3.16Å; A295-S299 VanDerWaalsContact O-CB 3.26Å; A295-S299 WeakPolarHBondContact O-CB 3.32Å; A295-S299 PolarHBondContact O-N 2.82Å; A295-S299 PolarHBondContact O-OG 3.24Å; D296-S299 WeakPolarHBondContact O-CB 3.43Å; D296-S299 PolarHBondContact O-N 2.9Å; S299-R301 PolarHBondContact O-N 2.8Å; S299-I302 PolarHBondContact O-N 2.89Å; S299-Q303 VanDerWaalsContact O-CB 3.29Å; S299-Q303 WeakPolarHBondContact O-CB 2.96Å; S299-Q303 PolarHBondContact O-N 3.12Å
300	V	49.5	Very low	46.8	Very low	57 Å²	57	64.6 Å²	64.6	35%	0.345	34%	0.339	S	S	.	.	H	α-helix	trans	-63.1	-41.6	177.7	173.4	0	0	0	0	111.1	D296 K297 M298 Q303 R304	D296-V300 WeakPolarHBondContact O-CG2 3.41Å; D296-V300 PolarHBondContact O-N 2.91Å; K297-V300 PolarHBondContact O-N 2.82Å; M298-V300 VanDerWaalsContact C-N 3.34Å; M298-V300 PolarHBondContact O-N 3.01Å; V300-Q303 PolarHBondContact O-N 3.16Å; V300-R304 HydrophobicContact CG1-CG 4.5Å; V300-R304 WeakPolarHBondContact O-CB 3.38Å; V300-R304 VanDerWaalsContact O-CG 3.29Å; V300-R304 WeakPolarHBondContact O-CG 3.47Å; V300-R304 PolarHBondContact O-N 3.01Å
301	R	47.9	Very low	46	Very low	134 Å²	134	68.3 Å²	68.3	51%	0.506	35%	0.349	S	S	.	.	H	α-helix	trans	-61	-49.4	173	-83.6	-177.4	168.9	149.1	-4.3	112.2	K297 M298 S299 Q303 R304 F305	K297-R301 PolarHBondContact O-N 2.84Å; K297-R301 VanDerWaalsContact O-N 3.13Å; M298-R301 PolarHBondContact O-N 3.08Å; S299-R301 PolarHBondContact O-N 2.8Å; R301-Q303 VanDerWaalsContact C-N 3.33Å; R301-Q303 PolarHBondContact O-N 3.09Å; R301-R304 PolarHBondContact O-N 2.98Å; R301-F305 WeakPolarHBondContact O-CB 3.05Å; R301-F305 PolarHBondContact O-N 2.9Å
302	I	52.7	Low	45	Very low	20 Å²	20	68.5 Å²	68.5	10%	0.103	35%	0.35	C	S	.	.	H	α-helix	trans	-61.1	-40.7	178.3	-70.3	164.3	0	0	0	111.2	F253 L286 L288 M298 S299 F305 F306 W803	F253-I302 HydrophobicContact CE1-CD1 4.28Å; L286-I302 HydrophobicContact CB-CG2 4.39Å; L286-I302 HydrophobicContact CD2-CG2 3.65Å; L286-I302 HydrophobicContact CG-CG2 4.03Å; L288-I302 HydrophobicContact CB-CD1 4.08Å; L288-I302 HydrophobicContact CD2-CD1 4.25Å; M298-I302 HydrophobicContact CE-CD1 4.47Å; M298-I302 HydrophobicContact CE-CG1 4.5Å; M298-I302 HydrophobicContact CG-CD1 3.93Å; M298-I302 HydrophobicContact CG-CG1 4.46Å; M298-I302 WeakPolarHBondContact O-CB 3.29Å; M298-I302 VanDerWaalsContact O-CG1 3.29Å; M298-I302 WeakPolarHBondContact O-CG1 3.12Å; M298-I302 PolarHBondContact O-N 2.93Å; S299-I302 PolarHBondContact O-N 2.89Å; I302-F305 PolarHBondContact O-N 3.28Å; I302-F306 WeakPolarHBondContact O-CB 3.44Å; I302-F306 PolarHBondContact O-N 2.95Å; I302-W803 HydrophobicContact CG2-CH2 4.28Å
303	Q	49.2	Very low	43.9	Very low	35 Å²	35	74 Å²	74	16%	0.164	37%	0.373	C	S	.	.	H	α-helix	trans	-70.8	-39.4	178.8	-169.6	-176.2	11.6	0	0	112.3	Q285 S299 V300 R301 F306 K307	Q285-Q303 VanDerWaalsContact CG-NE2 3.35Å; S299-Q303 VanDerWaalsContact O-CB 3.29Å; S299-Q303 WeakPolarHBondContact O-CB 2.96Å; S299-Q303 PolarHBondContact O-N 3.12Å; V300-Q303 PolarHBondContact O-N 3.16Å; R301-Q303 VanDerWaalsContact C-N 3.33Å; R301-Q303 PolarHBondContact O-N 3.09Å; Q303-F306 PolarHBondContact O-N 3.16Å; Q303-K307 WeakPolarHBondContact O-CG 3.33Å; Q303-K307 PolarHBondContact O-N 3.44Å
304	R	47.8	Very low	43.1	Very low	121 Å²	121	79 Å²	79	46%	0.457	39%	0.391	S	S	.	.	H	α-helix	trans	-58.4	-49.8	170.8	-77.7	175.1	177.7	178.2	0.6	110.2	V300 R301 F306 K307 S308 H418	V300-R304 HydrophobicContact CG1-CG 4.5Å; V300-R304 WeakPolarHBondContact O-CB 3.38Å; V300-R304 VanDerWaalsContact O-CG 3.29Å; V300-R304 WeakPolarHBondContact O-CG 3.47Å; V300-R304 PolarHBondContact O-N 3.01Å; R301-R304 PolarHBondContact O-N 2.98Å; R304-F306 PolarHBondContact O-N 2.89Å; R304-K307 WeakPolarHBondContact O-CB 3.47Å; R304-K307 PolarHBondContact O-N 2.79Å; R304-S308 PolarHBondContact O-N 3.27Å; R304-S308 PolarHBondContact O-OG 3.25Å; R304-H418 PolarHBondContact NE-CE1 2.94Å; R304-H418 PolarHBondContact NH2-CE1 3.17Å; R304-H418 PolarHBondContact NH2-NE2 3.46Å
305	F	45.8	Very low	42.4	Very low	74 Å²	74	80.9 Å²	80.9	33%	0.325	41%	0.41	S	S	.	.	H	α-helix	trans	-59.8	-47.2	177.9	-171.6	-78.5	0	0	0	112.3	R301 I302 K307 S308 C309 Q801 W803	R301-F305 WeakPolarHBondContact O-CB 3.05Å; R301-F305 PolarHBondContact O-N 2.9Å; I302-F305 PolarHBondContact O-N 3.28Å; F305-K307 VanDerWaalsContact C-N 3.3Å; F305-K307 PolarHBondContact O-N 2.95Å; F305-S308 WeakPolarHBondContact O-CB 3.28Å; F305-S308 PolarHBondContact O-N 2.72Å; F305-S308 VanDerWaalsContact O-N 3.1Å; F305-C309 HydrophobicContact CE1-CB 4.29Å; F305-C309 WeakPolarHBondContact CE1-SG 3.41Å; F305-C309 VanDerWaalsContact CZ-SG 3.53Å; F305-C309 PolarHBondContact O-N 3.25Å; F305-Q801 HydrophobicContact CE1-CB 4.21Å; F305-Q801 HydrophobicContact CE1-CG 3.88Å; F305-Q801 VanDerWaalsContact CE1-NE2 3.29Å; F305-Q801 HydrophobicContact CZ-CB 4.41Å; F305-Q801 HydrophobicContact CZ-CG 3.82Å; F305-Q801 VanDerWaalsContact CZ-NE2 3.29Å; F305-W803 HydrophobicContact CD1-CZ2 4.15Å; F305-W803 HydrophobicContact CE1-CZ2 4.5Å
306	F	44.1	Very low	41.4	Very low	61 Å²	61	87 Å²	87	27%	0.268	45%	0.446	S	S	.	.	H	α-helix	trans	-60.7	-38.9	178	-175.1	-91.5	0	0	0	111.9	I302 Q303 R304 C309 S310 W803	I302-F306 WeakPolarHBondContact O-CB 3.44Å; I302-F306 PolarHBondContact O-N 2.95Å; Q303-F306 PolarHBondContact O-N 3.16Å; R304-F306 PolarHBondContact O-N 2.89Å; F306-C309 PolarHBondContact O-N 3.35Å; F306-S310 WeakPolarHBondContact O-CB 3.48Å; F306-S310 PolarHBondContact O-N 2.83Å; F306-S310 PolarHBondContact O-OG 3.17Å; F306-W803 HydrophobicContact CD2-CZ2 4.49Å
307	K	47.3	Very low	40.4	Very low	130 Å²	130	92.6 Å²	92.6	57%	0.565	47%	0.47	S	S	*	.	H	α-helix	trans	-60.5	-46.1	172.1	-79.7	-174.4	170.7	-163.7	0	111.8	Q303 R304 F305 C309 S310	Q303-K307 WeakPolarHBondContact O-CG 3.33Å; Q303-K307 PolarHBondContact O-N 3.44Å; R304-K307 WeakPolarHBondContact O-CB 3.47Å; R304-K307 PolarHBondContact O-N 2.79Å; F305-K307 VanDerWaalsContact C-N 3.3Å; F305-K307 PolarHBondContact O-N 2.95Å; K307-C309 PolarHBondContact O-N 2.78Å; K307-S310 WeakPolarHBondContact CA-OG 3.3Å; K307-S310 PolarHBondContact O-N 3.22Å; K307-S310 PolarHBondContact O-OG 2.84Å
308	S	40.6	Very low	39.1	Very low	87 Å²	87	95.8 Å²	95.8	61%	0.608	49%	0.487	S	S	*	.	H	α-helix	trans	-58.4	-46.9	176.1	-55.1	0	0	0	0	111.9	R304 F305 S310 K311	R304-S308 PolarHBondContact O-N 3.27Å; R304-S308 PolarHBondContact O-OG 3.25Å; F305-S308 WeakPolarHBondContact O-CB 3.28Å; F305-S308 PolarHBondContact O-N 2.72Å; F305-S308 VanDerWaalsContact O-N 3.1Å; S308-S310 PolarHBondContact O-N 3.12Å; S308-K311 PolarHBondContact O-N 3.31Å
309	C	35.2	Very low	37.8	Very low	39 Å²	39	102.6 Å²	102.6	26%	0.264	52%	0.52	S	S	.	.	H	α-helix	trans	-71.3	-28.1	178	-77	0	0	0	0	114.5	F305 F306 K307 K311 C312	F305-C309 HydrophobicContact CE1-CB 4.29Å; F305-C309 WeakPolarHBondContact CE1-SG 3.41Å; F305-C309 VanDerWaalsContact CZ-SG 3.53Å; F305-C309 PolarHBondContact O-N 3.25Å; F306-C309 PolarHBondContact O-N 3.35Å; K307-C309 PolarHBondContact O-N 2.78Å; C309-K311 PolarHBondContact O-N 2.69Å; C309-C312 VanDerWaalsContact O-CB 3.3Å; C309-C312 WeakPolarHBondContact O-CB 3.44Å; C309-C312 PolarHBondContact O-N 2.9Å
310	S	41	Very low	36.5	Very low	77 Å²	77	107.6 Å²	107.6	54%	0.538	55%	0.551	S	S	.	*	H	α-helix	trans	-67.1	-13	177.5	67.9	0	0	0	0	114.1	F306 K307 S308	F306-S310 WeakPolarHBondContact O-CB 3.48Å; F306-S310 PolarHBondContact O-N 2.83Å; F306-S310 PolarHBondContact O-OG 3.17Å; K307-S310 WeakPolarHBondContact CA-OG 3.3Å; K307-S310 PolarHBondContact O-N 3.22Å; K307-S310 PolarHBondContact O-OG 2.84Å; S308-S310 PolarHBondContact O-N 3.12Å
311	K	39.7	Very low	35.2	Very low	109 Å²	109	112.6 Å²	112.6	47%	0.474	58%	0.576	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.9	-2.7	172.6	-61.4	-165.1	177.7	-161.2	0	113.9	S308 C309 E313 E420	S308-K311 PolarHBondContact O-N 3.31Å; C309-K311 PolarHBondContact O-N 2.69Å; K311-E313 PolarHBondContact O-N 3.19Å; K311-E420 IonicContact NZ-OE1 3.11Å; K311-E420 PolarHBondContact NZ-OE1 2.75Å; K311-E420 IonicContact NZ-OE2 3.66Å; K311-E420 PolarHBondContact NZ-OE2 2.57Å
312	C	28.8	Very low	34.1	Very low	108 Å²	108	114.3 Å²	114.3	73%	0.73	59%	0.593	S	S	*	*			trans	-78.2	75.6	169.8	-152.5	0	0	0	0	108.4	C309 Q314	C309-C312 VanDerWaalsContact O-CB 3.3Å; C309-C312 WeakPolarHBondContact O-CB 3.44Å; C309-C312 PolarHBondContact O-N 2.9Å; C312-Q314 PolarHBondContact O-N 3.04Å
313	E	25.4	Very low	32.7	Very low	180 Å²	180	118 Å²	118	84%	0.841	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-57.6	137.4	172.3	-72.6	-166.2	142.3	0	0	109.5	K311	K311-E313 PolarHBondContact O-N 3.19Å
314	Q	26.8	Very low	31.6	Very low	175 Å²	175	120.8 Å²	120.8	82%	0.818	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-60.7	139.3	-174.9	-67.6	-176.2	-15.4	0	0	110.4	C312 V316	C312-Q314 PolarHBondContact O-N 3.04Å; Q314-V316 PolarHBondContact O-N 2.87Å; Q314-V316 VanDerWaalsContact O-N 3.12Å
315	P	28.6	Very low	30.5	Very low	107 Å²	107	122.5 Å²	122.5	70%	0.695	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-59.2	122	-178.7	24.4	-33.7	0	0	0	109.7	H317	P315-H317 PolarHBondContact O-N 2.8Å
316	V	26.8	Very low	29.5	Very low	133 Å²	133	126 Å²	126	81%	0.806	68%	0.684	S	S	*	*			trans	-64.6	96.5	177.5	178.8	0	0	0	0	108.6	Q314 Q318	Q314-V316 PolarHBondContact O-N 2.87Å; Q314-V316 VanDerWaalsContact O-N 3.12Å; V316-Q318 PolarHBondContact O-N 2.81Å
317	H	23.3	Very low	28.8	Very low	167 Å²	167	129.1 Å²	129.1	77%	0.773	71%	0.711	S	S	*	*			trans	-61.3	132.5	164.2	-78.3	-70.5	0	0	0	109	P315	P315-H317 PolarHBondContact O-N 2.8Å
318	Q	22	Very low	27.8	Very low	166 Å²	166	127.3 Å²	127.3	78%	0.776	71%	0.714	S	S	*	*			trans	81.5	109.8	-176.3	-47.9	170.8	13.7	0	0	112.6	V316	V316-Q318 PolarHBondContact O-N 2.81Å
319	M	22.4	Very low	27.3	Very low	169 Å²	169	126.7 Å²	126.7	83%	0.833	71%	0.71	S	S	*	*				-152.5	142.4	51.3	-85.2	-173.4	158.6	0	0	116
320	T	22.5	Very low	27	Very low	110 Å²	110	131.2 Å²	131.2	68%	0.675	74%	0.736	S	S	*	*			trans	56.6	105.3	144.3	58.2	0	0	0	0	121.1
321	D	22.1	Very low	26.5	Very low	163 Å²	163	128.5 Å²	128.5	87%	0.872	72%	0.716	S	S	*	*				39.6	82.1	124.5	-56.7	-20.1	0	0	0	118.4
322	I	25	Very low	26.5	Very low	169 Å²	169	125.3 Å²	125.3	87%	0.867	71%	0.707	S	S	*	*			trans	-108.8	99.8	148.5	-59.9	-178.3	0	0	0	108
323	S	22.8	Very low	26.8	Very low	98 Å²	98	122 Å²	122	69%	0.685	69%	0.685	S	S	*	*			trans	-64.9	138.7	173.7	53.9	0	0	0	0	111.9
324	S	25.1	Very low	27.3	Very low	93 Å²	93	116.8 Å²	116.8	65%	0.65	66%	0.663	S	S	*	*			trans	49.8	102.2	156.2	61.2	0	0	0	0	117.7
325	N	25	Very low	27.8	Very low	157 Å²	157	109.7 Å²	109.7	84%	0.84	63%	0.632	S	S	*	*				-175	152	106.7	-86.7	-33.8	0	0	0	110.3
326	N	25.9	Very low	28	Very low	148 Å²	148	104.7 Å²	104.7	79%	0.791	60%	0.6	S	S	*	*			trans	-24.8	129.2	-175.1	-63.1	-18.7	0	0	0	116.2	S328	N326-S328 VanDerWaalsContact C-N 3.28Å; N326-S328 PolarHBondContact O-N 3.49Å
327	P	27.9	Very low	28.5	Very low	127 Å²	127	98.5 Å²	98.5	83%	0.825	56%	0.562	S	S	*	*			trans	-71.6	87.5	167	31.9	-32.7	0	0	0	109.1	S329	P327-S329 PolarHBondContact O-N 3.33Å
328	S	26.2	Very low	29	Very low	92 Å²	92	96.6 Å²	96.6	64%	0.643	55%	0.554	S	S	*	*			trans	-52.3	128.5	144.9	48.3	0	0	0	0	106.7	N326 V330	N326-S328 VanDerWaalsContact C-N 3.28Å; N326-S328 PolarHBondContact O-N 3.49Å; S328-V330 VanDerWaalsContact C-N 3.34Å; S328-V330 PolarHBondContact O-N 2.82Å
329	S	30.2	Very low	29.4	Very low	74 Å²	74	90 Å²	90	52%	0.517	52%	0.523	S	S	.	.			trans	-59.4	90.7	-175.6	34.3	0	0	0	0	111.5	P327 L331	P327-S329 PolarHBondContact O-N 3.33Å; S329-L331 PolarHBondContact O-N 3.4Å
330	V	30.1	Very low	29.9	Very low	134 Å²	134	82.2 Å²	82.2	81%	0.812	48%	0.484	S	S	*	.			trans	-74.2	85.9	168.8	-176	0	0	0	0	106.6	S328 S332	S328-V330 VanDerWaalsContact C-N 3.34Å; S328-V330 PolarHBondContact O-N 2.82Å; V330-S332 PolarHBondContact O-N 2.72Å
331	L	30.9	Very low	30.3	Very low	20 Å²	20	81 Å²	81	11%	0.105	47%	0.473	C	S	.	.			trans	-63.7	123.5	167.6	-70.9	129.4	0	0	0	107.7	S329 V336 F339 L669 C673	S329-L331 PolarHBondContact O-N 3.4Å; L331-V336 HydrophobicContact CB-CG2 4.44Å; L331-F339 HydrophobicContact CD2-CE2 3.77Å; L331-L669 HydrophobicContact CB-CD2 4.23Å; L331-L669 HydrophobicContact CD1-CD1 4.48Å; L331-L669 HydrophobicContact CD1-CD2 3.5Å; L331-L669 VanDerWaalsContact CD1-CD2 3.5Å; L331-L669 HydrophobicContact CD1-CG 3.57Å; L331-C673 HydrophobicContact CD1-CB 4.39Å; L331-C673 WeakPolarHBondContact CD1-SG 3.11Å; L331-C673 HydrophobicContact CD2-CB 4.48Å; L331-C673 VanDerWaalsContact CD2-SG 3.55Å
332	S	37.8	Very low	30.6	Very low	42 Å²	42	78.3 Å²	78.3	29%	0.294	45%	0.454	S	S	.	.			trans	-72.4	164.2	170.7	67.7	0	0	0	0	109.7	V330 D334 S335 V336	V330-S332 PolarHBondContact O-N 2.72Å; S332-D334 VanDerWaalsContact CB-OD2 3.25Å; S332-D334 WeakPolarHBondContact CB-OD2 3.34Å; S332-D334 PolarHBondContact O-N 2.81Å; S332-D334 VanDerWaalsContact O-N 3.11Å; S332-D334 WeakPolarHBondContact OG-CB 3.3Å; S332-D334 PolarHBondContact OG-N 3.48Å; S332-D334 PolarHBondContact OG-OD2 2.94Å; S332-S335 PolarHBondContact O-N 3.37Å; S332-S335 VanDerWaalsContact O-N 3.16Å; S332-S335 PolarHBondContact OG-N 3.13Å; S332-S335 PolarHBondContact OG-OG 3.26Å; S332-V336 PolarHBondContact O-N 3.03Å
333	S	35.5	Very low	30.8	Very low	37 Å²	37	71.7 Å²	71.7	26%	0.259	42%	0.42	S	S	.	.	H	α-helix	trans	-47.2	-34.4	165.3	40.8	0	0	0	0	112.5	V337	S333-V337 WeakPolarHBondContact O-CB 3.34Å; S333-V337 WeakPolarHBondContact O-CG2 3.3Å; S333-V337 PolarHBondContact O-N 3.4Å; S333-V337 VanDerWaalsContact O-N 3.08Å
334	D	35.6	Very low	31.2	Very low	72 Å²	72	67.6 Å²	67.6	39%	0.385	39%	0.39	S	S	.	.	H	α-helix	trans	-71	-40	-174.8	-22	-46.9	0	0	0	110.6	S332 V337 Q338 F421	S332-D334 VanDerWaalsContact CB-OD2 3.25Å; S332-D334 WeakPolarHBondContact CB-OD2 3.34Å; S332-D334 PolarHBondContact O-N 2.81Å; S332-D334 VanDerWaalsContact O-N 3.11Å; S332-D334 WeakPolarHBondContact OG-CB 3.3Å; S332-D334 PolarHBondContact OG-N 3.48Å; S332-D334 PolarHBondContact OG-OD2 2.94Å; D334-V337 PolarHBondContact O-N 2.94Å; D334-Q338 WeakPolarHBondContact O-CB 3.45Å; D334-Q338 WeakPolarHBondContact O-CG 3.42Å; D334-Q338 PolarHBondContact O-N 3.47Å; D334-F421 HydrophobicContact CB-CE1 4.47Å; D334-F421 HydrophobicContact CB-CZ 4.11Å; D334-F421 WeakPolarHBondContact OD1-CE1 3.12Å; D334-F421 WeakPolarHBondContact OD1-CZ 3.22Å
335	S	37.7	Very low	31.4	Very low	25 Å²	25	64.1 Å²	64.1	18%	0.175	37%	0.365	C	S	.	.	H	α-helix	trans	-61.8	-52.6	174.2	-42.5	0	0	0	0	110.9	S332 V337 Q338 F339	S332-S335 PolarHBondContact O-N 3.37Å; S332-S335 VanDerWaalsContact O-N 3.16Å; S332-S335 PolarHBondContact OG-N 3.13Å; S332-S335 PolarHBondContact OG-OG 3.26Å; S335-V337 PolarHBondContact O-N 2.74Å; S335-Q338 PolarHBondContact O-N 2.71Å; S335-Q338 VanDerWaalsContact O-N 3.09Å; S335-F339 WeakPolarHBondContact O-CD2 3.47Å; S335-F339 PolarHBondContact O-N 3.44Å
336	V	33.5	Very low	31.8	Very low	2 Å²	2	58.7 Å²	58.7	1%	0.012	34%	0.336	C	S	.	.	H	α-helix	trans	-58	-38.1	-178.6	177.8	0	0	0	0	111.6	L331 S332 L340 L601 L604 L608	L331-V336 HydrophobicContact CB-CG2 4.44Å; S332-V336 PolarHBondContact O-N 3.03Å; V336-L340 PolarHBondContact O-N 3.12Å; V336-L340 VanDerWaalsContact O-N 3.15Å; V336-L601 HydrophobicContact CG2-CD1 4.5Å; V336-L604 HydrophobicContact CG1-CB 4.22Å; V336-L608 HydrophobicContact CG1-CD2 4.2Å
337	V	37.4	Very low	31.9	Very low	3 Å²	3	53.2 Å²	53.2	2%	0.018	31%	0.311	C	S	.	.	H	α-helix	trans	-79.2	-30.7	177.7	173.7	0	0	0	0	112.7	S333 D334 S335 L340 L341 L414 F421 L604	S333-V337 WeakPolarHBondContact O-CB 3.34Å; S333-V337 WeakPolarHBondContact O-CG2 3.3Å; S333-V337 PolarHBondContact O-N 3.4Å; S333-V337 VanDerWaalsContact O-N 3.08Å; D334-V337 PolarHBondContact O-N 2.94Å; S335-V337 PolarHBondContact O-N 2.74Å; V337-L340 HydrophobicContact CG2-CD1 4.47Å; V337-L340 WeakPolarHBondContact O-CB 3.34Å; V337-L340 PolarHBondContact O-N 3.14Å; V337-L341 HydrophobicContact CG1-CD1 4.19Å; V337-L341 HydrophobicContact CG1-CG 4.49Å; V337-L341 WeakPolarHBondContact O-CB 3.22Å; V337-L341 WeakPolarHBondContact O-CD1 3.43Å; V337-L341 VanDerWaalsContact O-CG 3.25Å; V337-L341 WeakPolarHBondContact O-CG 3.24Å; V337-L341 PolarHBondContact O-N 3.21Å; V337-L414 HydrophobicContact CG1-CD1 4.18Å; V337-L414 HydrophobicContact CG1-CD2 3.82Å; V337-F421 HydrophobicContact CB-CD2 4.34Å; V337-F421 HydrophobicContact CB-CE2 3.7Å; V337-F421 HydrophobicContact CG1-CD2 3.97Å; V337-F421 HydrophobicContact CG1-CE2 3.82Å; V337-F421 HydrophobicContact CG2-CE2 3.89Å; V337-L604 HydrophobicContact CG2-CD1 4.36Å
338	Q	33.5	Very low	31.9	Very low	128 Å²	128	52.1 Å²	52.1	60%	0.598	30%	0.299	S	S	*	.	H	α-helix	trans	-65.2	-37.9	168.7	-84	-173.9	-58.9	0	0	112.4	D334 S335 L340 L341	D334-Q338 WeakPolarHBondContact O-CB 3.45Å; D334-Q338 WeakPolarHBondContact O-CG 3.42Å; D334-Q338 PolarHBondContact O-N 3.47Å; S335-Q338 PolarHBondContact O-N 2.71Å; S335-Q338 VanDerWaalsContact O-N 3.09Å; Q338-L340 VanDerWaalsContact C-N 3.31Å; Q338-L340 PolarHBondContact O-N 3.44Å; Q338-L341 PolarHBondContact O-N 3.06Å
339	F	30.3	Very low	32	Very low	27 Å²	27	50.1 Å²	50.1	12%	0.118	29%	0.287	C	S	.	.	H	α-helix	trans	-61.2	-40.5	170.8	-73.6	-69.6	0	0	0	111.8	L331 S335 L341 C673 L676 I727	L331-F339 HydrophobicContact CD2-CE2 3.77Å; S335-F339 WeakPolarHBondContact O-CD2 3.47Å; S335-F339 PolarHBondContact O-N 3.44Å; F339-L341 VanDerWaalsContact C-N 3.3Å; F339-L341 PolarHBondContact O-N 3.34Å; F339-C673 HydrophobicContact CZ-CB 4.35Å; F339-L676 HydrophobicContact CB-CB 4.5Å; F339-L676 HydrophobicContact CB-CD1 3.95Å; F339-L676 HydrophobicContact CD1-CB 3.52Å; F339-L676 HydrophobicContact CD1-CD1 4.31Å; F339-L676 HydrophobicContact CD1-CG 4.44Å; F339-L676 HydrophobicContact CE1-CB 3.82Å; F339-L676 HydrophobicContact CG-CB 4.14Å; F339-L676 HydrophobicContact CG-CD1 4.07Å; F339-I727 HydrophobicContact CD1-CD1 4.26Å; F339-I727 HydrophobicContact CD1-CG2 4.23Å; F339-I727 HydrophobicContact CE1-CB 4.11Å; F339-I727 HydrophobicContact CE1-CD1 3.52Å; F339-I727 HydrophobicContact CE1-CG1 4.4Å; F339-I727 HydrophobicContact CE1-CG2 3.58Å; F339-I727 HydrophobicContact CE2-CG2 4.08Å; F339-I727 HydrophobicContact CZ-CB 4.03Å; F339-I727 HydrophobicContact CZ-CD1 4.27Å; F339-I727 HydrophobicContact CZ-CG2 3.47Å; F339-I727 VanDerWaalsContact CZ-CG2 3.47Å
340	L	32.4	Very low	32	Very low	6 Å²	6	55.2 Å²	55.2	3%	0.031	30%	0.303	C	S	.	.	H	α-helix	trans	-65.1	-26.8	174.5	-90.1	161.5	0	0	0	114.3	V336 V337 Q338 A411 L414 L604 I611	V336-L340 PolarHBondContact O-N 3.12Å; V336-L340 VanDerWaalsContact O-N 3.15Å; V337-L340 HydrophobicContact CG2-CD1 4.47Å; V337-L340 WeakPolarHBondContact O-CB 3.34Å; V337-L340 PolarHBondContact O-N 3.14Å; Q338-L340 VanDerWaalsContact C-N 3.31Å; Q338-L340 PolarHBondContact O-N 3.44Å; L340-A411 HydrophobicContact CD2-CB 4.01Å; L340-L414 HydrophobicContact CB-CD1 3.79Å; L340-L414 HydrophobicContact CD1-CD1 3.87Å; L340-L414 HydrophobicContact CD2-CD1 4.44Å; L340-L414 HydrophobicContact CG-CD1 4.27Å; L340-L604 HydrophobicContact CD1-CD2 4.47Å; L340-I611 HydrophobicContact CD1-CD1 4.21Å; L340-I611 HydrophobicContact CD2-CB 4.45Å; L340-I611 HydrophobicContact CD2-CD1 3.39Å; L340-I611 HydrophobicContact CD2-CG1 3.67Å; L340-I611 HydrophobicContact CD2-CG2 3.91Å; L340-I611 HydrophobicContact CG-CD1 3.95Å
341	L	31.6	Very low	32	Very low	83 Å²	83	52.4 Å²	52.4	44%	0.435	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-11.9	-173.1	-83.6	165.2	0	0	0	114.6	V337 Q338 F339 L414	V337-L341 HydrophobicContact CG1-CD1 4.19Å; V337-L341 HydrophobicContact CG1-CG 4.49Å; V337-L341 WeakPolarHBondContact O-CB 3.22Å; V337-L341 WeakPolarHBondContact O-CD1 3.43Å; V337-L341 VanDerWaalsContact O-CG 3.25Å; V337-L341 WeakPolarHBondContact O-CG 3.24Å; V337-L341 PolarHBondContact O-N 3.21Å; Q338-L341 PolarHBondContact O-N 3.06Å; F339-L341 VanDerWaalsContact C-N 3.3Å; F339-L341 PolarHBondContact O-N 3.34Å; L341-L414 HydrophobicContact CD2-CB 3.98Å; L341-L414 WeakPolarHBondContact CD2-O 3.4Å
342	F	29.2	Very low	31.8	Very low	107 Å²	107	55 Å²	55	47%	0.469	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-12.6	-170.9	-143.6	-93.4	0	0	0	114.5	I684	F342-I684 HydrophobicContact CE1-CG1 4.02Å; F342-I684 HydrophobicContact CZ-CG1 3.92Å
343	L	27.9	Very low	31.8	Very low	31 Å²	31	54.5 Å²	54.5	16%	0.162	31%	0.314	C	S	.	.	S	Bend	trans	-144	160.2	-175.7	-66.6	169.7	0	0	0	111.8	C615 F619 I679 S683	L343-C615 HydrophobicContact CD1-CB 4.26Å; L343-F619 HydrophobicContact CD1-CE2 3.85Å; L343-F619 HydrophobicContact CD1-CZ 3.59Å; L343-F619 HydrophobicContact CD2-CE1 3.92Å; L343-F619 HydrophobicContact CD2-CZ 3.53Å; L343-F619 HydrophobicContact CG-CZ 4.22Å; L343-I679 HydrophobicContact CD1-CG2 3.29Å; L343-S683 WeakPolarHBondContact CD2-OG 3.37Å
344	F	30.6	Very low	31.5	Very low	11 Å²	11	57.6 Å²	57.6	5%	0.048	33%	0.328	C	S	.	.			trans	95.3	116.2	173	-69.3	-79.4	0	0	0	120.4	A411 E614 C615 T618	F344-A411 HydrophobicContact CB-CB 4.46Å; F344-E614 HydrophobicContact CD1-CG 3.52Å; F344-E614 VanDerWaalsContact CE1-C 3.49Å; F344-E614 HydrophobicContact CE1-CB 4.14Å; F344-E614 HydrophobicContact CE1-CG 3.41Å; F344-E614 VanDerWaalsContact CE1-CG 3.41Å; F344-E614 WeakPolarHBondContact CE1-O 3.47Å; F344-E614 VanDerWaalsContact CE1-OE1 3.31Å; F344-E614 WeakPolarHBondContact CE1-OE1 3.44Å; F344-E614 HydrophobicContact CG-CG 4.2Å; F344-E614 HydrophobicContact CZ-CB 4.39Å; F344-E614 HydrophobicContact CZ-CG 4.13Å; F344-E614 WeakPolarHBondContact CZ-O 3.39Å; F344-C615 HydrophobicContact CE2-CB 4.09Å; F344-C615 HydrophobicContact CZ-CB 4.43Å; F344-T618 VanDerWaalsContact CE1-CB 3.49Å; F344-T618 WeakPolarHBondContact CE1-OG1 3.2Å; F344-T618 VanDerWaalsContact CZ-CB 3.46Å; F344-T618 HydrophobicContact CZ-CG2 4.44Å; F344-T618 WeakPolarHBondContact CZ-OG1 3.29Å
345	P	29.7	Very low	31.4	Very low	20 Å²	20	60.5 Å²	60.5	13%	0.13	34%	0.337	C	S	.	.			trans	-116	114.6	140.3	34.2	-22.3	0	0	0	112.6	L357 R378	P345-L357 HydrophobicContact CG-CD1 3.92Å; P345-R378 PolarHBondContact O-NH1 3.19Å
346	D	34.5	Very low	31.3	Very low	44 Å²	44	61.5 Å²	61.5	24%	0.235	34%	0.342	C	S	.	.			trans	72.5	117.6	148.2	-61.8	-45.9	0	0	0	122.2	N412 Y416	D346-N412 WeakPolarHBondContact CA-ND2 3.43Å; D346-N412 WeakPolarHBondContact CA-OD1 3.4Å; D346-N412 PolarHBondContact N-OD1 3.21Å; D346-N412 VanDerWaalsContact OD1-CG 3.28Å; D346-N412 PolarHBondContact OD1-ND2 3.12Å; D346-N412 PolarHBondContact OD1-OD1 3.16Å; D346-Y416 WeakPolarHBondContact OD1-CE2 3.39Å; D346-Y416 VanDerWaalsContact OD2-CE2 3.24Å; D346-Y416 WeakPolarHBondContact OD2-CE2 3.42Å; D346-Y416 VanDerWaalsContact OD2-CZ 3.28Å; D346-Y416 PolarHBondContact OD2-OH 3.27Å
347	A	28.3	Very low	31.4	Very low	32 Å²	32	62.4 Å²	62.4	26%	0.264	35%	0.346	S	S	.	.	S	Bend	trans	-78.5	150.4	151.8	0	0	0	0	0	112.2	V408	A347-V408 HydrophobicContact CB-CB 3.89Å; A347-V408 HydrophobicContact CB-CG1 3.67Å; A347-V408 HydrophobicContact CB-CG2 4.23Å
348	D	28	Very low	31.3	Very low	105 Å²	105	65.6 Å²	65.6	56%	0.561	36%	0.361	S	S	*	.	S	Bend	trans	57.1	58.6	155	-60.8	-6.2	0	0	0	118.7	R405	D348-R405 IonicContact OD2-NH1 2.78Å
349	A	27.2	Very low	31.6	Very low	49 Å²	49	62.6 Å²	62.6	41%	0.405	35%	0.349	S	S	.	.			trans	-156.8	105.9	149.2	0	0	0	0	0	113.1	G351 V352 C353	A349-G351 PolarHBondContact O-N 3.25Å; A349-V352 HydrophobicContact CB-CB 4.45Å; A349-V352 HydrophobicContact CB-CG2 4.06Å; A349-V352 PolarHBondContact O-N 3.32Å; A349-C353 PolarHBondContact O-SG 3.47Å; A349-C353 VanDerWaalsContact O-SG 3.4Å
350	E	30.2	Very low	32	Very low	182 Å²	182	66.9 Å²	66.9	85%	0.85	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-28.1	179.8	-69.2	-176.4	124.6	0	0	114.4
351	G	29.4	Very low	32.2	Very low	75 Å²	75	68.6 Å²	68.6	77%	0.773	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-17.4	-175.1	0	0	0	0	0	116.9	A349	A349-G351 PolarHBondContact O-N 3.25Å
352	V	27.4	Very low	32.5	Very low	73 Å²	73	65.1 Å²	65.1	44%	0.442	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-34.2	-169.5	-174.3	0	0	0	0	112.4	A349 N354 K355 V356	A349-V352 HydrophobicContact CB-CB 4.45Å; A349-V352 HydrophobicContact CB-CG2 4.06Å; A349-V352 PolarHBondContact O-N 3.32Å; V352-N354 PolarHBondContact O-N 2.73Å; V352-K355 PolarHBondContact O-N 2.59Å; V352-V356 HydrophobicContact CG1-CG2 3.64Å; V352-V356 PolarHBondContact O-N 3.13Å
353	C	37.1	Very low	32.8	Very low	33 Å²	33	65.3 Å²	65.3	22%	0.223	37%	0.366	C	S	.	.	H	α-helix	trans	-56	-46.9	-167.2	-62.5	0	0	0	0	115	A349 L357	A349-C353 PolarHBondContact O-SG 3.47Å; A349-C353 VanDerWaalsContact O-SG 3.4Å; C353-L357 WeakPolarHBondContact O-CB 3.36Å; C353-L357 PolarHBondContact O-N 3.49Å; C353-L357 VanDerWaalsContact O-N 3.12Å
354	N	30.6	Very low	33.2	Very low	102 Å²	102	65.6 Å²	65.6	55%	0.545	37%	0.371	S	S	.	.	H	α-helix	trans	-73	-29.7	-173	-88	-26.5	0	0	0	113.9	V352 H358 R378	V352-N354 PolarHBondContact O-N 2.73Å; N354-H358 WeakPolarHBondContact O-CB 3.47Å; N354-R378 PolarHBondContact OD1-O 2.84Å
355	K	33.8	Very low	33.4	Very low	132 Å²	132	66.2 Å²	66.2	57%	0.574	37%	0.373	S	S	*	.	H	α-helix	trans	-78	-42.3	174.2	-89.8	-166.4	170.5	-166.5	0	111.6	E40 V352 N359	E40-K355 IonicContact OE2-NZ 2.7Å; E40-K355 PolarHBondContact OE2-NZ 2.91Å; V352-K355 PolarHBondContact O-N 2.59Å; K355-N359 WeakPolarHBondContact O-CB 3.29Å; K355-N359 PolarHBondContact O-N 2.71Å; K355-N359 PolarHBondContact O-ND2 3.29Å; K355-N359 PolarHBondContact O-OD1 3.07Å
356	V	34.8	Very low	33.8	Very low	47 Å²	47	67 Å²	67	29%	0.285	39%	0.385	S	S	.	.	H	α-helix	trans	-77.2	-43.3	-172	-178.6	0	0	0	0	112.6	V352 N359 E360	V352-V356 HydrophobicContact CG1-CG2 3.64Å; V352-V356 PolarHBondContact O-N 3.13Å; V356-N359 CarbonylContact O-C 3.46Å; V356-N359 WeakPolarHBondContact O-CA 3.44Å; V356-N359 WeakPolarHBondContact O-CB 3.48Å; V356-N359 PolarHBondContact O-N 3.43Å; V356-N359 VanDerWaalsContact O-N 3.11Å; V356-E360 PolarHBondContact O-N 3.02Å
357	L	35.2	Very low	33.9	Very low	20 Å²	20	73 Å²	73	11%	0.105	42%	0.417	C	S	.	.	H	α-helix	trans	-65.2	-42.1	175.5	-171.2	84.3	0	0	0	111.1	P345 C353 N359 E360 L361 R378 L622	P345-L357 HydrophobicContact CG-CD1 3.92Å; C353-L357 WeakPolarHBondContact O-CB 3.36Å; C353-L357 PolarHBondContact O-N 3.49Å; C353-L357 VanDerWaalsContact O-N 3.12Å; L357-N359 VanDerWaalsContact C-N 3.28Å; L357-N359 PolarHBondContact O-N 3.35Å; L357-E360 PolarHBondContact O-N 3Å; L357-L361 HydrophobicContact CD1-CD1 4.42Å; L357-L361 HydrophobicContact CD2-CD1 4.05Å; L357-L361 HydrophobicContact CG-CD1 3.89Å; L357-L361 HydrophobicContact CG-CG 4.32Å; L357-L361 WeakPolarHBondContact O-CB 3.36Å; L357-L361 WeakPolarHBondContact O-CG 3.39Å; L357-L361 PolarHBondContact O-N 3.05Å; L357-R378 HydrophobicContact CD2-CB 4.03Å; L357-R378 HydrophobicContact CD2-CG 4.41Å; L357-L622 HydrophobicContact CD2-CD2 3.88Å
358	H	36.3	Very low	34.4	Very low	70 Å²	70	75.1 Å²	75.1	32%	0.324	42%	0.424	S	S	.	.	H	α-helix	trans	-55.9	-48.5	170.6	-172	74.5	0	0	0	109.4	N354 E360 L361 T362	N354-H358 WeakPolarHBondContact O-CB 3.47Å; H358-E360 PolarHBondContact O-N 3.33Å; H358-L361 CarbonylContact O-C 3.48Å; H358-L361 PolarHBondContact O-N 3.42Å; H358-T362 WeakPolarHBondContact O-CA 3.19Å; H358-T362 WeakPolarHBondContact O-CB 3.46Å; H358-T362 WeakPolarHBondContact O-CG2 3.27Å; H358-T362 PolarHBondContact O-N 3.46Å; H358-T362 PolarHBondContact O-OG1 3.44Å
359	N	38.3	Very low	35.2	Very low	65 Å²	65	75.5 Å²	75.5	35%	0.348	43%	0.434	S	S	.	.	H	α-helix	trans	-62.4	-34	177.4	-76.5	-2.6	0	0	0	114.4	K355 V356 L357 L363	K355-N359 WeakPolarHBondContact O-CB 3.29Å; K355-N359 PolarHBondContact O-N 2.71Å; K355-N359 PolarHBondContact O-ND2 3.29Å; K355-N359 PolarHBondContact O-OD1 3.07Å; V356-N359 CarbonylContact O-C 3.46Å; V356-N359 WeakPolarHBondContact O-CA 3.44Å; V356-N359 WeakPolarHBondContact O-CB 3.48Å; V356-N359 PolarHBondContact O-N 3.43Å; V356-N359 VanDerWaalsContact O-N 3.11Å; L357-N359 VanDerWaalsContact C-N 3.28Å; L357-N359 PolarHBondContact O-N 3.35Å; N359-L363 HydrophobicContact CB-CD1 3.74Å; N359-L363 HydrophobicContact CB-CG 4.16Å; N359-L363 WeakPolarHBondContact O-CA 3.1Å; N359-L363 WeakPolarHBondContact O-CB 3.38Å; N359-L363 WeakPolarHBondContact O-CG 3.46Å; N359-L363 PolarHBondContact O-N 2.86Å
360	E	39.5	Very low	36.3	Very low	117 Å²	117	75.7 Å²	75.7	55%	0.547	43%	0.428	S	S	.	.	H	α-helix	trans	-77	-43.1	175.7	-71.1	-151.4	127.8	0	0	112.5	V356 L357 H358 T362 S364	V356-E360 PolarHBondContact O-N 3.02Å; L357-E360 PolarHBondContact O-N 3Å; H358-E360 PolarHBondContact O-N 3.33Å; E360-T362 PolarHBondContact O-N 2.91Å; E360-S364 PolarHBondContact O-OG 2.71Å
361	L	36.9	Very low	37.7	Very low	42 Å²	42	68.6 Å²	68.6	22%	0.22	40%	0.395	C	S	.	.	H	α-helix	trans	-68.6	-12	173.5	-64.2	178.4	0	0	0	112.9	L357 H358 F365 W376	L357-L361 HydrophobicContact CD1-CD1 4.42Å; L357-L361 HydrophobicContact CD2-CD1 4.05Å; L357-L361 HydrophobicContact CG-CD1 3.89Å; L357-L361 HydrophobicContact CG-CG 4.32Å; L357-L361 WeakPolarHBondContact O-CB 3.36Å; L357-L361 WeakPolarHBondContact O-CG 3.39Å; L357-L361 PolarHBondContact O-N 3.05Å; H358-L361 CarbonylContact O-C 3.48Å; H358-L361 PolarHBondContact O-N 3.42Å; L361-F365 VanDerWaalsContact O-CD2 3.25Å; L361-F365 WeakPolarHBondContact O-CD2 3.26Å; L361-F365 WeakPolarHBondContact O-CE2 3.43Å; L361-W376 HydrophobicContact CD1-CB 3.9Å; L361-W376 HydrophobicContact CD1-CG 4.33Å
362	T	38.1	Very low	39.6	Very low	11 Å²	11	69.5 Å²	69.5	7%	0.067	38%	0.379	C	S	.	.	H	α-helix	trans	-122.2	-29.8	-179.7	68.3	0	0	0	0	115.9	H358 E360 S364 F365 I370	H358-T362 WeakPolarHBondContact O-CA 3.19Å; H358-T362 WeakPolarHBondContact O-CB 3.46Å; H358-T362 WeakPolarHBondContact O-CG2 3.27Å; H358-T362 PolarHBondContact O-N 3.46Å; H358-T362 PolarHBondContact O-OG1 3.44Å; E360-T362 PolarHBondContact O-N 2.91Å; T362-S364 VanDerWaalsContact C-N 3.27Å; T362-S364 PolarHBondContact O-N 2.83Å; T362-F365 CarbonylContact O-C 3.58Å; T362-F365 VanDerWaalsContact O-C 3.27Å; T362-F365 VanDerWaalsContact O-CA 3.23Å; T362-F365 WeakPolarHBondContact O-CA 3.24Å; T362-F365 VanDerWaalsContact O-CB 3.24Å; T362-F365 WeakPolarHBondContact O-CB 3.23Å; T362-F365 PolarHBondContact O-N 2.76Å; T362-F365 VanDerWaalsContact O-O 3.07Å; T362-I370 HydrophobicContact CG2-CB 4.45Å; T362-I370 HydrophobicContact CG2-CD1 3.64Å; T362-I370 HydrophobicContact CG2-CG1 3.79Å; T362-I370 HydrophobicContact CG2-CG2 4.03Å
363	L	34.8	Very low	41.5	Very low	110 Å²	110	66 Å²	66	58%	0.576	36%	0.358	S	S	*	.	H	α-helix	trans	-77.8	-11.7	173.4	-62.4	170.6	0	0	0	113	K297 N359 F365	K297-L363 PolarHBondContact NZ-O 2.91Å; N359-L363 HydrophobicContact CB-CD1 3.74Å; N359-L363 HydrophobicContact CB-CG 4.16Å; N359-L363 WeakPolarHBondContact O-CA 3.1Å; N359-L363 WeakPolarHBondContact O-CB 3.38Å; N359-L363 WeakPolarHBondContact O-CG 3.46Å; N359-L363 PolarHBondContact O-N 2.86Å; L363-F365 CarbonylContact C-O 3.55Å; L363-F365 WeakPolarHBondContact CA-O 3Å; L363-F365 PolarHBondContact O-N 2.92Å
364	S	36.7	Very low	42.8	Very low	37 Å²	37	64.7 Å²	64.7	26%	0.259	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-28	158.8	45.6	0	0	0	0	111	E360 T362	E360-S364 PolarHBondContact O-OG 2.71Å; T362-S364 VanDerWaalsContact C-N 3.27Å; T362-S364 PolarHBondContact O-N 2.83Å
365	F	35.8	Very low	44.3	Very low	24 Å²	24	63 Å²	63	11%	0.105	34%	0.339	C	S	.	.	S	Bend	trans	-95	165.5	168.8	-42.6	-47.7	0	0	0	109.8	K297 L361 T362 L363 L374 Y694	K297-F365 PolarHBondContact NZ-O 3.27Å; L361-F365 VanDerWaalsContact O-CD2 3.25Å; L361-F365 WeakPolarHBondContact O-CD2 3.26Å; L361-F365 WeakPolarHBondContact O-CE2 3.43Å; T362-F365 CarbonylContact O-C 3.58Å; T362-F365 VanDerWaalsContact O-C 3.27Å; T362-F365 VanDerWaalsContact O-CA 3.23Å; T362-F365 WeakPolarHBondContact O-CA 3.24Å; T362-F365 VanDerWaalsContact O-CB 3.24Å; T362-F365 WeakPolarHBondContact O-CB 3.23Å; T362-F365 PolarHBondContact O-N 2.76Å; T362-F365 VanDerWaalsContact O-O 3.07Å; L363-F365 CarbonylContact C-O 3.55Å; L363-F365 WeakPolarHBondContact CA-O 3Å; L363-F365 PolarHBondContact O-N 2.92Å; F365-L374 HydrophobicContact CD2-CD1 4.1Å; F365-L374 HydrophobicContact CE2-CB 4.31Å; F365-L374 HydrophobicContact CE2-CD1 3.69Å; F365-L374 HydrophobicContact CE2-CD2 4.33Å; F365-L374 HydrophobicContact CE2-CG 4.34Å; F365-L374 HydrophobicContact CZ-CD1 3.99Å; F365-L374 HydrophobicContact CZ-CD2 4.35Å; F365-Y694 HydrophobicContact CB-CE2 4.12Å; F365-Y694 HydrophobicContact CD1-CD1 4.14Å; F365-Y694 AromaticContact CD1-CD2 3.23Å; F365-Y694 HydrophobicContact CD1-CD2 3.23Å; F365-Y694 HydrophobicContact CD1-CE1 4.14Å; F365-Y694 AromaticContact CD1-CE2 3.27Å; F365-Y694 HydrophobicContact CD1-CE2 3.27Å; F365-Y694 AromaticContact CD1-CG 3.69Å; F365-Y694 HydrophobicContact CD1-CG 3.69Å; F365-Y694 AromaticContact CD1-CZ 3.73Å; F365-Y694 AromaticContact CE1-CD1 3.97Å; F365-Y694 HydrophobicContact CE1-CD1 3.97Å; F365-Y694 AromaticContact CE1-CD2 3.49Å; F365-Y694 HydrophobicContact CE1-CD2 3.49Å; F365-Y694 VanDerWaalsContact CE1-CD2 3.49Å; F365-Y694 HydrophobicContact CE1-CE1 4.38Å; F365-Y694 AromaticContact CE1-CE2 3.99Å; F365-Y694 HydrophobicContact CE1-CE2 3.99Å; F365-Y694 AromaticContact CE1-CG 3.48Å; F365-Y694 HydrophobicContact CE1-CG 3.48Å; F365-Y694 VanDerWaalsContact CE1-CG 3.48Å; F365-Y694 HydrophobicContact CG-CD2 4.03Å; F365-Y694 AromaticContact CG-CE2 3.97Å; F365-Y694 HydrophobicContact CG-CE2 3.97Å; F365-Y694 HydrophobicContact CZ-CD2 4.45Å; F365-Y694 HydrophobicContact CZ-CG 4.46Å
366	G	37	Very low	45.6	Very low	36 Å²	36	57.2 Å²	57.2	37%	0.371	31%	0.313	S	S	.	.			trans	-93.4	-162.5	179.3	0	0	0	0	0	112.1	L368	G366-L368 PolarHBondContact O-N 2.97Å
367	D	36.3	Very low	46.9	Very low	171 Å²	171	61.9 Å²	61.9	91%	0.914	33%	0.33	S	S	*	.	S	Bend	trans	-64.2	21.5	164.5	-66.5	-37	0	0	0	113.6
368	L	39	Very low	47.7	Very low	76 Å²	76	62 Å²	62	40%	0.398	33%	0.329	S	S	.	.	S	Bend	trans	-66.4	127.4	159.3	-75.3	152	0	0	0	106.5	G366 I370 Y694 L698	G366-L368 PolarHBondContact O-N 2.97Å; L368-I370 PolarHBondContact O-N 3.05Å; L368-Y694 HydrophobicContact CD1-CE2 4.34Å; L368-L698 HydrophobicContact CD1-CD2 4.08Å
369	S	44.6	Very low	48.8	Very low	113 Å²	113	63.9 Å²	63.9	79%	0.79	34%	0.338	S	S	*	.			trans	-50.9	110	168.7	52	0	0	0	0	109	H371	S369-H371 PolarHBondContact O-N 3.02Å
370	I	51.1	Low	49.3	Very low	53 Å²	53	66.2 Å²	66.2	27%	0.272	36%	0.356	S	S	.	.			trans	-57.7	118.3	-176.1	-58.2	122.9	0	0	0	107.5	T362 L368 E372 L374 I375	T362-I370 HydrophobicContact CG2-CB 4.45Å; T362-I370 HydrophobicContact CG2-CD1 3.64Å; T362-I370 HydrophobicContact CG2-CG1 3.79Å; T362-I370 HydrophobicContact CG2-CG2 4.03Å; L368-I370 PolarHBondContact O-N 3.05Å; I370-E372 PolarHBondContact O-N 3.44Å; I370-L374 HydrophobicContact CG2-CB 3.84Å; I370-I375 HydrophobicContact CB-CG1 4.38Å; I370-I375 HydrophobicContact CG2-CG1 3.78Å
371	H	60	Low	49.7	Very low	33 Å²	33	62.1 Å²	62.1	15%	0.153	34%	0.338	C	S	.	.			trans	-60.3	138.8	179.6	-167	-79.8	0	0	0	109.1	S369 L373 L374 I697	S369-H371 PolarHBondContact O-N 3.02Å; H371-L373 PolarHBondContact O-N 3.43Å; H371-L374 PolarHBondContact O-N 3.27Å; H371-I697 HydrophobicContact CB-CD1 3.37Å; H371-I697 HydrophobicContact CB-CG1 4.03Å
372	E	68.9	Low	50.2	Low	94 Å²	94	62.9 Å²	62.9	44%	0.439	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-50.8	-35.4	-173.3	56.5	175.2	-145.7	0	0	114	I370 L374 I375 H625	I370-E372 PolarHBondContact O-N 3.44Å; E372-L374 VanDerWaalsContact C-N 3.26Å; E372-L374 PolarHBondContact O-N 2.92Å; E372-I375 WeakPolarHBondContact O-CB 3.26Å; E372-I375 PolarHBondContact O-N 3.46Å; E372-H625 IonicContact OE1-CE1 3.13Å; E372-H625 PolarHBondContact OE1-CE1 2.95Å; E372-H625 VanDerWaalsContact OE1-CE1 3.3Å; E372-H625 IonicContact OE1-NE2 2.82Å; E372-H625 IonicContact OE2-NE2 3.29Å
373	L	68	Low	50.9	Low	1 Å²	1	65.8 Å²	65.8	1%	0.005	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-64.3	-20.7	176.4	-63.4	173.4	0	0	0	115.1	H371 H625 R627 L628 I693 L705 L711	H371-L373 PolarHBondContact O-N 3.43Å; L373-H625 HydrophobicContact CD2-CB 4.25Å; L373-H625 WeakPolarHBondContact CD2-ND1 3.44Å; L373-R627 HydrophobicContact CD2-CB 4.26Å; L373-L628 HydrophobicContact CB-CD1 4.39Å; L373-L628 HydrophobicContact CD2-CD1 4.17Å; L373-L628 HydrophobicContact CD2-CG 4.12Å; L373-I693 HydrophobicContact CB-CD1 4.17Å; L373-L705 HydrophobicContact CD1-CB 3.8Å; L373-L705 HydrophobicContact CD1-CD1 4.32Å; L373-L705 HydrophobicContact CD1-CD2 4.46Å; L373-L705 HydrophobicContact CD1-CG 4.42Å; L373-L711 HydrophobicContact CD1-CD1 3.91Å; L373-L711 HydrophobicContact CD1-CD2 4.17Å; L373-L711 HydrophobicContact CD2-CD2 3.98Å
374	L	62.5	Low	52	Low	5 Å²	5	61.7 Å²	61.7	3%	0.026	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-95	-2.8	174.6	-66.4	174.9	0	0	0	112.4	F365 I370 H371 E372 W376 N690 I693 I697	F365-L374 HydrophobicContact CD2-CD1 4.1Å; F365-L374 HydrophobicContact CE2-CB 4.31Å; F365-L374 HydrophobicContact CE2-CD1 3.69Å; F365-L374 HydrophobicContact CE2-CD2 4.33Å; F365-L374 HydrophobicContact CE2-CG 4.34Å; F365-L374 HydrophobicContact CZ-CD1 3.99Å; F365-L374 HydrophobicContact CZ-CD2 4.35Å; I370-L374 HydrophobicContact CG2-CB 3.84Å; H371-L374 PolarHBondContact O-N 3.27Å; E372-L374 VanDerWaalsContact C-N 3.26Å; E372-L374 PolarHBondContact O-N 2.92Å; L374-W376 PolarHBondContact O-N 3.25Å; L374-N690 HydrophobicContact CD2-CB 4.26Å; L374-I693 HydrophobicContact CD1-CG2 4.02Å; L374-I693 HydrophobicContact CD2-CB 4.06Å; L374-I693 HydrophobicContact CD2-CG2 3.69Å; L374-I693 HydrophobicContact CG-CG2 3.7Å; L374-I697 HydrophobicContact CD1-CD1 3.48Å; L374-I697 VanDerWaalsContact CD1-CD1 3.48Å; L374-I697 HydrophobicContact CG-CD1 4.26Å
375	I	62.4	Low	53.2	Low	65 Å²	65	62.6 Å²	62.6	33%	0.333	34%	0.343	S	S	.	.			trans	-86.6	88.8	176.6	-53.8	-179.9	0	0	0	108.8	I370 E372	I370-I375 HydrophobicContact CB-CG1 4.38Å; I370-I375 HydrophobicContact CG2-CG1 3.78Å; E372-I375 WeakPolarHBondContact O-CB 3.26Å; E372-I375 PolarHBondContact O-N 3.46Å
376	W	62.7	Low	54.7	Low	11 Å²	11	64.8 Å²	64.8	4%	0.042	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-82.4	131.8	168.1	-60.4	83.1	0	0	0	109.4	L361 L374 L622 P624 L628 W631 Y632 F686 N690	L361-W376 HydrophobicContact CD1-CB 3.9Å; L361-W376 HydrophobicContact CD1-CG 4.33Å; L374-W376 PolarHBondContact O-N 3.25Å; W376-L622 HydrophobicContact CB-CD2 4.43Å; W376-L622 HydrophobicContact CE3-CB 4.28Å; W376-P624 HydrophobicContact CE3-CB 3.99Å; W376-P624 HydrophobicContact CH2-CB 3.86Å; W376-P624 HydrophobicContact CZ3-CB 3.44Å; W376-P624 VanDerWaalsContact CZ3-CB 3.44Å; W376-P624 HydrophobicContact CZ3-CG 4.23Å; W376-L628 HydrophobicContact CZ2-CD1 4.45Å; W376-W631 HydrophobicContact CH2-CZ3 4.3Å; W376-Y632 AromaticContact CH2-CD2 3.8Å; W376-Y632 HydrophobicContact CH2-CD2 3.8Å; W376-Y632 HydrophobicContact CH2-CE2 4.26Å; W376-Y632 HydrophobicContact CH2-CG 4.17Å; W376-Y632 HydrophobicContact CZ3-CD1 4.25Å; W376-Y632 AromaticContact CZ3-CD2 3.78Å; W376-Y632 HydrophobicContact CZ3-CD2 3.78Å; W376-Y632 HydrophobicContact CZ3-CE1 4.41Å; W376-Y632 AromaticContact CZ3-CE2 3.96Å; W376-Y632 HydrophobicContact CZ3-CE2 3.96Å; W376-Y632 AromaticContact CZ3-CG 3.94Å; W376-Y632 HydrophobicContact CZ3-CG 3.94Å; W376-F686 HydrophobicContact CD2-CE2 4.16Å; W376-F686 AromaticContact CD2-CZ 3.97Å; W376-F686 HydrophobicContact CD2-CZ 3.97Å; W376-F686 AromaticContact CE2-CE2 3.85Å; W376-F686 AromaticContact CE2-CZ 3.8Å; W376-F686 HydrophobicContact CE3-CE2 4.03Å; W376-F686 HydrophobicContact CE3-CZ 4.18Å; W376-F686 HydrophobicContact CH2-CD2 4.24Å; W376-F686 AromaticContact CH2-CE2 3.4Å; W376-F686 HydrophobicContact CH2-CE2 3.4Å; W376-F686 HydrophobicContact CH2-CZ 4.18Å; W376-F686 HydrophobicContact CZ2-CD2 4.4Å; W376-F686 AromaticContact CZ2-CE2 3.51Å; W376-F686 HydrophobicContact CZ2-CE2 3.51Å; W376-F686 AromaticContact CZ2-CZ 3.94Å; W376-F686 HydrophobicContact CZ2-CZ 3.94Å; W376-F686 AromaticContact CZ3-CE2 3.64Å; W376-F686 HydrophobicContact CZ3-CE2 3.64Å; W376-F686 HydrophobicContact CZ3-CZ 4.25Å; W376-N690 PolarHBondContact NE1-OD1 3.06Å; W376-N690 VanDerWaalsContact NE1-OD1 3.16Å
377	K	61.5	Low	56.1	Low	145 Å²	145	66.2 Å²	66.2	63%	0.63	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.7	150.4	170.2	-65	178.1	-178.8	177.5	0	108.9	V623	K377-V623 HydrophobicContact CB-CB 4.19Å; K377-V623 PolarHBondContact N-O 2.91Å; K377-V623 PolarHBondContact O-N 3.32Å
378	R	52.4	Low	57.6	Low	22 Å²	22	60.6 Å²	60.6	8%	0.083	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	125.2	166.4	-156.4	-179.6	-173.2	-179.2	-3.1	107.9	P345 N354 L357 T618 S621	P345-R378 PolarHBondContact O-NH1 3.19Å; N354-R378 PolarHBondContact OD1-O 2.84Å; L357-R378 HydrophobicContact CD2-CB 4.03Å; L357-R378 HydrophobicContact CD2-CG 4.41Å; R378-T618 PolarHBondContact NH2-OG1 2.95Å; R378-S621 WeakPolarHBondContact CA-O 3.44Å; R378-S621 WeakPolarHBondContact CG-OG 3.48Å; R378-S621 PolarHBondContact NE-OG 3.42Å
379	Q	58.1	Low	59.2	Low	111 Å²	111	63.3 Å²	63.3	52%	0.519	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-72.5	139.1	165.4	-91.7	169.5	-12.1	0	0	108.6	I381 S621 V623	Q379-I381 PolarHBondContact O-N 3.32Å; Q379-I381 VanDerWaalsContact O-N 3.11Å; Q379-S621 PolarHBondContact N-O 2.94Å; Q379-V623 HydrophobicContact CB-CG2 4.33Å; Q379-V623 HydrophobicContact CG-CG2 3.7Å
380	P	48.7	Very low	60.7	Low	113 Å²	113	58.8 Å²	58.8	73%	0.734	29%	0.291	S	S	*	.	P	Polyproline II helix	trans	-59.2	118.3	166.5	26.4	-31.7	0	0	0	107.3	M382	P380-M382 PolarHBondContact O-N 3.09Å; P380-M382 VanDerWaalsContact O-N 3.09Å
381	I	49.2	Very low	61.9	Low	32 Å²	32	56.4 Å²	56.4	16%	0.164	28%	0.279	C	S	.	.			trans	-67.7	115.1	-162.7	-57.3	173.3	0	0	0	109.5	Q379 R387 F617	Q379-I381 PolarHBondContact O-N 3.32Å; Q379-I381 VanDerWaalsContact O-N 3.11Å; I381-R387 HydrophobicContact CG2-CG 4.25Å; I381-R387 PolarHBondContact O-NE 2.88Å; I381-R387 PolarHBondContact O-NH2 3.12Å; I381-F617 HydrophobicContact CD1-CB 4.36Å
382	M	47.5	Very low	62.6	Low	57 Å²	57	57.2 Å²	57.2	28%	0.281	29%	0.289	S	S	.	.			trans	28.6	134.3	150.2	-69.6	-168.8	-172.5	0	0	117.6	P380 E386 R387 A477	P380-M382 PolarHBondContact O-N 3.09Å; P380-M382 VanDerWaalsContact O-N 3.09Å; M382-E386 WeakPolarHBondContact CA-OE2 3.19Å; M382-E386 HydrophobicContact CB-CB 3.77Å; M382-E386 VanDerWaalsContact CB-OE2 3.24Å; M382-E386 WeakPolarHBondContact CB-OE2 3.37Å; M382-E386 HydrophobicContact CG-CB 4.31Å; M382-E386 WeakPolarHBondContact CG-OE2 3.45Å; M382-E386 HydrophobicContact SD-CB 4.24Å; M382-R387 HydrophobicContact CB-CG 4.12Å; M382-R387 WeakPolarHBondContact O-CG 3.45Å; M382-R387 PolarHBondContact O-NE 2.94Å; M382-A477 HydrophobicContact CE-CB 3.55Å; M382-A477 HydrophobicContact SD-CB 4.49Å
383	N	51.1	Low	62.9	Low	73 Å²	73	53.7 Å²	53.7	39%	0.39	27%	0.273	S	S	.	.			trans	-49.7	151	178	-73.8	-57.5	0	0	0	111.4	S385 E386 R387 N463	N383-S385 PolarHBondContact O-N 3.39Å; N383-E386 HydrophobicContact CB-CG 4.36Å; N383-E386 PolarHBondContact N-OE2 3.34Å; N383-E386 PolarHBondContact ND2-OE1 3.45Å; N383-E386 VanDerWaalsContact ND2-OE1 3.09Å; N383-E386 WeakPolarHBondContact O-CA 3.4Å; N383-E386 WeakPolarHBondContact O-CB 3.44Å; N383-E386 PolarHBondContact O-N 2.87Å; N383-R387 PolarHBondContact O-N 3.39Å; N383-N463 PolarHBondContact OD1-ND2 3.13Å
384	S	58.5	Low	63.4	Low	24 Å²	24	54.1 Å²	54.1	17%	0.168	28%	0.275	C	S	.	.	H	α-helix	trans	-48	-40	179.2	50.4	0	0	0	0	112.8	Q388	S384-Q388 VanDerWaalsContact O-CG 3.29Å; S384-Q388 WeakPolarHBondContact O-CG 3.25Å; S384-Q388 PolarHBondContact O-N 2.8Å; S384-Q388 VanDerWaalsContact O-N 3.09Å
385	S	63.2	Low	63.7	Low	55 Å²	55	54.2 Å²	54.2	39%	0.385	28%	0.277	S	S	.	.	H	α-helix	trans	-66.8	-37.3	175.2	58	0	0	0	0	114.4	N383 K389	N383-S385 PolarHBondContact O-N 3.39Å; S385-K389 WeakPolarHBondContact O-CB 3.32Å; S385-K389 VanDerWaalsContact O-CG 3.26Å; S385-K389 WeakPolarHBondContact O-CG 3.29Å; S385-K389 PolarHBondContact O-N 3.25Å
386	E	65.4	Low	64.5	Low	71 Å²	71	51.7 Å²	51.7	33%	0.332	26%	0.264	S	S	.	.	H	α-helix	trans	-69.6	-41.9	175.3	-74.6	155.2	-153.9	0	0	111.2	M382 N383 Q388 K389 F390	M382-E386 WeakPolarHBondContact CA-OE2 3.19Å; M382-E386 HydrophobicContact CB-CB 3.77Å; M382-E386 VanDerWaalsContact CB-OE2 3.24Å; M382-E386 WeakPolarHBondContact CB-OE2 3.37Å; M382-E386 HydrophobicContact CG-CB 4.31Å; M382-E386 WeakPolarHBondContact CG-OE2 3.45Å; M382-E386 HydrophobicContact SD-CB 4.24Å; N383-E386 HydrophobicContact CB-CG 4.36Å; N383-E386 PolarHBondContact N-OE2 3.34Å; N383-E386 PolarHBondContact ND2-OE1 3.45Å; N383-E386 VanDerWaalsContact ND2-OE1 3.09Å; N383-E386 WeakPolarHBondContact O-CA 3.4Å; N383-E386 WeakPolarHBondContact O-CB 3.44Å; N383-E386 PolarHBondContact O-N 2.87Å; E386-Q388 VanDerWaalsContact C-N 3.33Å; E386-Q388 PolarHBondContact O-N 3.45Å; E386-K389 PolarHBondContact O-N 3.25Å; E386-F390 WeakPolarHBondContact O-CB 3.39Å; E386-F390 PolarHBondContact O-N 2.84Å
387	R	67.8	Low	65	Low	65 Å²	65	52 Å²	52	25%	0.245	27%	0.268	C	S	.	.	H	α-helix	trans	-62.2	-40.5	174.2	-59.1	-166.5	-162.7	-175.3	6.8	111.9	I381 M382 N383 F390 A391 P399 F617	I381-R387 HydrophobicContact CG2-CG 4.25Å; I381-R387 PolarHBondContact O-NE 2.88Å; I381-R387 PolarHBondContact O-NH2 3.12Å; M382-R387 HydrophobicContact CB-CG 4.12Å; M382-R387 WeakPolarHBondContact O-CG 3.45Å; M382-R387 PolarHBondContact O-NE 2.94Å; N383-R387 PolarHBondContact O-N 3.39Å; R387-F390 PolarHBondContact O-N 3.43Å; R387-A391 WeakPolarHBondContact O-CB 3.29Å; R387-A391 PolarHBondContact O-N 3.11Å; R387-P399 HydrophobicContact CB-CB 4.41Å; R387-P399 HydrophobicContact CB-CG 3.72Å; R387-F617 HydrophobicContact CB-CE1 4.08Å; R387-F617 HydrophobicContact CB-CZ 3.78Å; R387-F617 HydrophobicContact CG-CE1 4.22Å; R387-F617 HydrophobicContact CG-CZ 4.23Å
388	Q	67.7	Low	65.3	Low	53 Å²	53	47 Å²	47	25%	0.248	25%	0.248	C	C	.	.	H	α-helix	trans	-63.9	-43	173.4	-73.4	172.1	-0.1	0	0	112.1	S384 E386 S392 I400 Q452 E456	S384-Q388 VanDerWaalsContact O-CG 3.29Å; S384-Q388 WeakPolarHBondContact O-CG 3.25Å; S384-Q388 PolarHBondContact O-N 2.8Å; S384-Q388 VanDerWaalsContact O-N 3.09Å; E386-Q388 VanDerWaalsContact C-N 3.33Å; E386-Q388 PolarHBondContact O-N 3.45Å; Q388-S392 WeakPolarHBondContact O-CB 3.33Å; Q388-S392 PolarHBondContact O-N 2.71Å; Q388-S392 PolarHBondContact O-OG 3.01Å; Q388-I400 HydrophobicContact CG-CD1 4.36Å; Q388-I400 VanDerWaalsContact NE2-CD1 3.27Å; Q388-Q452 VanDerWaalsContact NE2-NE2 3.19Å; Q388-E456 PolarHBondContact NE2-OE1 3.48Å; Q388-E456 VanDerWaalsContact NE2-OE1 3.16Å
389	K	72	Confident	66	Low	133 Å²	133	46.5 Å²	46.5	58%	0.578	25%	0.247	S	C	*	.	H	α-helix	trans	-61.3	-42.4	173.9	-76.1	171.5	-178.5	-179.1	0	112	S385 E386 S392 T393	S385-K389 WeakPolarHBondContact O-CB 3.32Å; S385-K389 VanDerWaalsContact O-CG 3.26Å; S385-K389 WeakPolarHBondContact O-CG 3.29Å; S385-K389 PolarHBondContact O-N 3.25Å; E386-K389 PolarHBondContact O-N 3.25Å; K389-S392 WeakPolarHBondContact CA-OG 3.28Å; K389-S392 PolarHBondContact O-OG 3.21Å; K389-S392 VanDerWaalsContact O-OG 3.07Å; K389-T393 PolarHBondContact O-N 3.25Å; K389-T393 PolarHBondContact O-OG1 2.99Å
390	F	75.9	Confident	66.3	Low	19 Å²	19	42.3 Å²	42.3	8%	0.083	23%	0.229	C	C	.	.	H	α-helix	trans	-63.5	-53.4	176.7	-174.8	-90.5	0	0	0	110.9	E386 R387 S392 T393 F394 L613 M616 F617 H620	E386-F390 WeakPolarHBondContact O-CB 3.39Å; E386-F390 PolarHBondContact O-N 2.84Å; R387-F390 PolarHBondContact O-N 3.43Å; F390-S392 VanDerWaalsContact C-N 3.34Å; F390-S392 PolarHBondContact O-N 2.71Å; F390-T393 VanDerWaalsContact O-CB 3.32Å; F390-T393 WeakPolarHBondContact O-CB 3.46Å; F390-T393 PolarHBondContact O-N 2.88Å; F390-T393 VanDerWaalsContact O-N 3.1Å; F390-F394 HydrophobicContact CD1-CD2 4.38Å; F390-F394 HydrophobicContact CD1-CE2 4.38Å; F390-F394 HydrophobicContact CD2-CE2 4.31Å; F390-F394 HydrophobicContact CE1-CD2 4.09Å; F390-F394 AromaticContact CE1-CE2 3.88Å; F390-F394 HydrophobicContact CE1-CE2 3.88Å; F390-F394 AromaticContact CE2-CE2 3.81Å; F390-F394 HydrophobicContact CE2-CE2 3.81Å; F390-F394 HydrophobicContact CZ-CD2 4.25Å; F390-F394 AromaticContact CZ-CE2 3.57Å; F390-F394 HydrophobicContact CZ-CE2 3.57Å; F390-F394 HydrophobicContact CZ-CZ 4.36Å; F390-F394 WeakPolarHBondContact O-CD2 3.43Å; F390-L613 HydrophobicContact CD1-CD1 4.28Å; F390-M616 HydrophobicContact CE1-CB 3.81Å; F390-M616 HydrophobicContact CE1-CE 4.08Å; F390-M616 HydrophobicContact CZ-CB 4.05Å; F390-M616 HydrophobicContact CZ-CE 3.95Å; F390-F617 HydrophobicContact CB-CE1 4.19Å; F390-F617 HydrophobicContact CD1-CD1 4.06Å; F390-F617 AromaticContact CD1-CE1 3.52Å; F390-F617 HydrophobicContact CD1-CE1 3.52Å; F390-F617 HydrophobicContact CD1-CZ 4.27Å; F390-F617 HydrophobicContact CE1-CD1 4.34Å; F390-F617 HydrophobicContact CE1-CE1 4.22Å; F390-F617 HydrophobicContact CG-CE1 4.08Å; F390-H620 AromaticContact CE2-CD2 3.87Å; F390-H620 AromaticContact CE2-CE1 3.67Å; F390-H620 AromaticContact CE2-CG 3.97Å; F390-H620 AromaticContact CE2-ND1 3.86Å; F390-H620 AromaticContact CE2-NE2 3.67Å; F390-H620 AromaticContact CZ-CD2 3.54Å; F390-H620 AromaticContact CZ-NE2 3.56Å
391	A	77	Confident	67.2	Low	3 Å²	3	37.8 Å²	37.8	3%	0.025	20%	0.199	C	C	.	.	H	α-helix	trans	-56.8	-44.5	178.2	0	0	0	0	0	112.6	R387 T393 F394 G395 L396 L613	R387-A391 WeakPolarHBondContact O-CB 3.29Å; R387-A391 PolarHBondContact O-N 3.11Å; A391-T393 VanDerWaalsContact C-N 3.32Å; A391-T393 PolarHBondContact O-N 3.12Å; A391-F394 CarbonylContact O-C 3.59Å; A391-F394 PolarHBondContact O-N 2.78Å; A391-G395 PolarHBondContact O-N 3.35Å; A391-L396 PolarHBondContact O-N 2.82Å; A391-L613 HydrophobicContact CB-CD1 3.78Å; A391-L613 HydrophobicContact CB-CD2 3.94Å
392	S	73.9	Confident	68.1	Low	50 Å²	50	40 Å²	40	35%	0.35	21%	0.212	S	C	.	.	H	α-helix	trans	-68.6	-25	178.1	55.4	0	0	0	0	114.1	Q388 K389 F390 F394 G395	Q388-S392 WeakPolarHBondContact O-CB 3.33Å; Q388-S392 PolarHBondContact O-N 2.71Å; Q388-S392 PolarHBondContact O-OG 3.01Å; K389-S392 WeakPolarHBondContact CA-OG 3.28Å; K389-S392 PolarHBondContact O-OG 3.21Å; K389-S392 VanDerWaalsContact O-OG 3.07Å; F390-S392 VanDerWaalsContact C-N 3.34Å; F390-S392 PolarHBondContact O-N 2.71Å; S392-F394 VanDerWaalsContact C-N 3.26Å; S392-F394 PolarHBondContact O-N 3.38Å; S392-G395 PolarHBondContact O-N 3.31Å
393	T	76.5	Confident	69.1	Low	19 Å²	19	37.4 Å²	37.4	12%	0.117	20%	0.198	C	C	.	.	H	α-helix	trans	-60.9	-37.7	170.9	-58.4	0	0	0	0	111.6	K389 F390 A391	K389-T393 PolarHBondContact O-N 3.25Å; K389-T393 PolarHBondContact O-OG1 2.99Å; F390-T393 VanDerWaalsContact O-CB 3.32Å; F390-T393 WeakPolarHBondContact O-CB 3.46Å; F390-T393 PolarHBondContact O-N 2.88Å; F390-T393 VanDerWaalsContact O-N 3.1Å; A391-T393 VanDerWaalsContact C-N 3.32Å; A391-T393 PolarHBondContact O-N 3.12Å
394	F	76.9	Confident	70	Confident	10 Å²	10	34.2 Å²	34.2	4%	0.044	18%	0.181	C	C	.	.	H	α-helix	trans	-92.3	-7.6	177	-64.1	-81.6	0	0	0	113.8	F390 A391 S392 L396 M616 D640 I643 Y644 L647	F390-F394 HydrophobicContact CD1-CD2 4.38Å; F390-F394 HydrophobicContact CD1-CE2 4.38Å; F390-F394 HydrophobicContact CD2-CE2 4.31Å; F390-F394 HydrophobicContact CE1-CD2 4.09Å; F390-F394 AromaticContact CE1-CE2 3.88Å; F390-F394 HydrophobicContact CE1-CE2 3.88Å; F390-F394 AromaticContact CE2-CE2 3.81Å; F390-F394 HydrophobicContact CE2-CE2 3.81Å; F390-F394 HydrophobicContact CZ-CD2 4.25Å; F390-F394 AromaticContact CZ-CE2 3.57Å; F390-F394 HydrophobicContact CZ-CE2 3.57Å; F390-F394 HydrophobicContact CZ-CZ 4.36Å; F390-F394 WeakPolarHBondContact O-CD2 3.43Å; A391-F394 CarbonylContact O-C 3.59Å; A391-F394 PolarHBondContact O-N 2.78Å; S392-F394 VanDerWaalsContact C-N 3.26Å; S392-F394 PolarHBondContact O-N 3.38Å; F394-L396 VanDerWaalsContact C-N 3.25Å; F394-L396 HydrophobicContact CB-CD1 3.82Å; F394-L396 HydrophobicContact CB-CG 3.87Å; F394-L396 PolarHBondContact O-N 3Å; F394-M616 HydrophobicContact CD1-CE 3.78Å; F394-M616 HydrophobicContact CD2-CE 3.68Å; F394-M616 HydrophobicContact CE1-CE 3.52Å; F394-M616 HydrophobicContact CE2-CE 3.44Å; F394-M616 VanDerWaalsContact CE2-CE 3.44Å; F394-M616 HydrophobicContact CG-CE 3.85Å; F394-M616 HydrophobicContact CZ-CE 3.35Å; F394-D640 HydrophobicContact CE1-CB 4.37Å; F394-D640 WeakPolarHBondContact CE1-O 3.36Å; F394-D640 HydrophobicContact CZ-CB 4.03Å; F394-I643 HydrophobicContact CD1-CG2 4.26Å; F394-Y644 HydrophobicContact CD1-CD2 4.3Å; F394-Y644 HydrophobicContact CE1-CD2 4.45Å; F394-L647 HydrophobicContact CB-CD1 4.09Å; F394-L647 HydrophobicContact CD1-CD1 4.47Å; F394-L647 WeakPolarHBondContact O-CD1 3.24Å
395	G	69.6	Low	70.3	Confident	7 Å²	7	36.2 Å²	36.2	7%	0.072	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.1	20.9	-172.4	0	0	0	0	0	114	A391 S392 W489	A391-G395 PolarHBondContact O-N 3.35Å; S392-G395 PolarHBondContact O-N 3.31Å; G395-W489 PolarHBondContact O-N 3.49Å
396	L	79.3	Confident	70.4	Confident	12 Å²	12	34.7 Å²	34.7	6%	0.063	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-79.5	165	178.2	-69.9	171.9	0	0	0	111.6	A391 F394 P609 I612 L613 M616	A391-L396 PolarHBondContact O-N 2.82Å; F394-L396 VanDerWaalsContact C-N 3.25Å; F394-L396 HydrophobicContact CB-CD1 3.82Å; F394-L396 HydrophobicContact CB-CG 3.87Å; F394-L396 PolarHBondContact O-N 3Å; L396-P609 HydrophobicContact CD2-CB 4.27Å; L396-I612 HydrophobicContact CD1-CG2 4.31Å; L396-I612 HydrophobicContact CD2-CG2 4.45Å; L396-L613 HydrophobicContact CB-CB 4.34Å; L396-L613 HydrophobicContact CB-CD1 4.16Å; L396-L613 HydrophobicContact CB-CD2 4.44Å; L396-L613 HydrophobicContact CD1-CB 4.05Å; L396-L613 HydrophobicContact CD1-CD1 3.94Å; L396-M616 HydrophobicContact CD1-SD 3.86Å
397	P	71.8	Confident	70.6	Confident	17 Å²	17	31.4 Å²	31.4	11%	0.11	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-61.3	168.5	-177.5	-23.8	34.3	0	0	0	114.5	P399 P609 H610 L613	P397-P399 WeakPolarHBondContact O-CD 3.36Å; P397-P609 HydrophobicContact CG-CB 3.76Å; P397-H610 WeakPolarHBondContact CB-CE1 2.91Å; P397-L613 WeakPolarHBondContact O-CD2 3.49Å
398	N	69.1	Low	70.3	Confident	41 Å²	41	28.4 Å²	28.4	22%	0.219	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-70.4	122.5	177.2	-174.4	-13.8	0	0	0	110.6	I400 S401 Q452	N398-I400 PolarHBondContact O-N 2.88Å; N398-I400 VanDerWaalsContact O-N 3.15Å; N398-I400 PolarHBondContact OD1-N 3.43Å; N398-S401 WeakPolarHBondContact O-CB 3.16Å; N398-S401 PolarHBondContact O-N 3.23Å; N398-S401 VanDerWaalsContact O-N 3.12Å; N398-S401 PolarHBondContact O-OG 3.17Å; N398-Q452 VanDerWaalsContact ND2-CD 3.32Å; N398-Q452 PolarHBondContact ND2-NE2 3.05Å; N398-Q452 PolarHBondContact ND2-OE1 3.29Å
399	P	67.2	Low	69.9	Low	11 Å²	11	29.8 Å²	29.8	7%	0.071	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-13.6	179.9	28.2	-37.1	0	0	0	114.6	R387 P397 S401 H404 L613 F617	R387-P399 HydrophobicContact CB-CB 4.41Å; R387-P399 HydrophobicContact CB-CG 3.72Å; P397-P399 WeakPolarHBondContact O-CD 3.36Å; P399-S401 VanDerWaalsContact C-N 3.34Å; P399-H404 PolarHBondContact O-CD2 3.5Å; P399-L613 HydrophobicContact CB-CD2 4.04Å; P399-F617 HydrophobicContact CB-CE2 3.68Å; P399-F617 HydrophobicContact CB-CZ 3.98Å; P399-F617 HydrophobicContact CG-CE2 4.38Å; P399-F617 HydrophobicContact CG-CZ 4.18Å
400	I	64.8	Low	69.5	Low	24 Å²	24	23.5 Å²	23.5	12%	0.123	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-8.8	178.7	-46.6	-176.1	0	0	0	111.2	Q388 N398 Y455	Q388-I400 HydrophobicContact CG-CD1 4.36Å; Q388-I400 VanDerWaalsContact NE2-CD1 3.27Å; N398-I400 PolarHBondContact O-N 2.88Å; N398-I400 VanDerWaalsContact O-N 3.15Å; N398-I400 PolarHBondContact OD1-N 3.43Å; I400-Y455 HydrophobicContact CG2-CG 4.41Å
401	S	67.3	Low	68.6	Low	17 Å²	17	22.8 Å²	22.8	12%	0.119	13%	0.125	C	C	.	.	S	Bend	trans	-67.1	154.9	-173.2	86.2	0	0	0	0	113.9	N398 P399 I403 H404 R405 D514	N398-S401 WeakPolarHBondContact O-CB 3.16Å; N398-S401 PolarHBondContact O-N 3.23Å; N398-S401 VanDerWaalsContact O-N 3.12Å; N398-S401 PolarHBondContact O-OG 3.17Å; P399-S401 VanDerWaalsContact C-N 3.34Å; S401-I403 PolarHBondContact O-N 3.42Å; S401-H404 PolarHBondContact O-N 3.3Å; S401-H404 PolarHBondContact OG-N 2.72Å; S401-H404 VanDerWaalsContact OG-N 3.09Å; S401-R405 PolarHBondContact O-N 3.04Å; S401-D514 VanDerWaalsContact CB-CG 3.45Å; S401-D514 WeakPolarHBondContact CB-OD1 3.16Å; S401-D514 WeakPolarHBondContact CB-OD2 3.48Å; S401-D514 PolarHBondContact OG-OD1 3.24Å; S401-D514 PolarHBondContact OG-OD2 2.77Å
402	L	67.1	Low	67.4	Low	80 Å²	80	23.5 Å²	23.5	42%	0.419	13%	0.128	S	C	.	.	H	α-helix	trans	-61.3	-36.9	176.9	-177.6	63.4	0	0	0	111.4	R405 L406 L449 L517	L402-R405 PolarHBondContact O-N 3.35Å; L402-L406 PolarHBondContact O-N 3.48Å; L402-L449 HydrophobicContact CD2-CD2 4.45Å; L402-L517 HydrophobicContact CD2-CD1 4.39Å
403	I	69.8	Low	66.3	Low	1 Å²	1	23.1 Å²	23.1	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-69.5	-37.1	178.2	-56.1	-60.1	0	0	0	111	S401 R405 L406 A407 L513 D514 L517 L607 H610	S401-I403 PolarHBondContact O-N 3.42Å; I403-R405 PolarHBondContact O-N 2.9Å; I403-L406 PolarHBondContact O-N 3.48Å; I403-A407 WeakPolarHBondContact O-CB 3.3Å; I403-A407 PolarHBondContact O-N 2.98Å; I403-L513 HydrophobicContact CD1-CB 3.82Å; I403-L513 HydrophobicContact CD1-CD1 4.18Å; I403-L513 HydrophobicContact CG1-CB 3.75Å; I403-L513 HydrophobicContact CG2-CB 4.15Å; I403-L513 HydrophobicContact CG2-CD1 4.23Å; I403-D514 VanDerWaalsContact CB-OD1 3.29Å; I403-D514 WeakPolarHBondContact CB-OD1 2.96Å; I403-D514 WeakPolarHBondContact CG1-OD1 3.25Å; I403-L517 HydrophobicContact CD1-CD1 3.65Å; I403-L517 HydrophobicContact CG1-CD1 4.05Å; I403-L607 HydrophobicContact CG2-CD2 3.68Å; I403-H610 WeakPolarHBondContact CG2-NE2 3.41Å
404	H	69.5	Low	65	Low	7 Å²	7	22.8 Å²	22.8	3%	0.032	12%	0.12	C	C	.	.	H	α-helix	trans	-59.1	-49.3	173.8	-170	75.1	0	0	0	111.1	P399 S401 L406 A407 V408 H610 L613 E614	P399-H404 PolarHBondContact O-CD2 3.5Å; S401-H404 PolarHBondContact O-N 3.3Å; S401-H404 PolarHBondContact OG-N 2.72Å; S401-H404 VanDerWaalsContact OG-N 3.09Å; H404-L406 VanDerWaalsContact C-N 3.34Å; H404-L406 PolarHBondContact O-N 3.24Å; H404-A407 WeakPolarHBondContact O-CB 3.12Å; H404-A407 PolarHBondContact O-N 3.37Å; H404-A407 VanDerWaalsContact O-N 3.11Å; H404-V408 VanDerWaalsContact O-CG2 3.28Å; H404-V408 WeakPolarHBondContact O-CG2 3.2Å; H404-V408 PolarHBondContact O-N 3.29Å; H404-H610 VanDerWaalsContact CA-ND1 3.33Å; H404-H610 WeakPolarHBondContact CA-ND1 3.42Å; H404-H610 WeakPolarHBondContact CB-ND1 3.31Å; H404-H610 VanDerWaalsContact CE1-C 3.46Å; H404-H610 WeakPolarHBondContact CE1-CA 3.34Å; H404-H610 WeakPolarHBondContact CE1-CB 3.39Å; H404-H610 AromaticContact CE1-CG 3.14Å; H404-H610 AromaticContact CE1-ND1 2.88Å; H404-H610 PolarHBondContact CE1-ND1 2.9Å; H404-H610 PolarHBondContact CE1-O 3.3Å; H404-H610 VanDerWaalsContact CE1-O 3.23Å; H404-H610 AromaticContact CG-ND1 3.9Å; H404-H610 PolarHBondContact N-ND1 2.87Å; H404-H610 AromaticContact ND1-ND1 3.62Å; H404-H610 PolarHBondContact NE2-O 2.87Å; H404-L613 WeakPolarHBondContact NE2-CB 3.06Å; H404-E614 WeakPolarHBondContact NE2-CA 3.41Å; H404-E614 WeakPolarHBondContact NE2-CB 3.45Å; H404-E614 PolarHBondContact NE2-N 2.86Å; H404-E614 IonicContact NE2-OE2 2.74Å; H404-E614 PolarHBondContact NE2-OE2 2.84Å
405	R	65	Low	63.5	Low	66 Å²	66	24.5 Å²	24.5	25%	0.249	13%	0.131	C	C	.	.	H	α-helix	trans	-60.6	-41.6	176.7	-60.6	-173	-158.1	-161.4	6.8	112.6	D348 S401 L402 I403 A407 V408 I409	D348-R405 IonicContact OD2-NH1 2.78Å; S401-R405 PolarHBondContact O-N 3.04Å; L402-R405 PolarHBondContact O-N 3.35Å; I403-R405 PolarHBondContact O-N 2.9Å; R405-A407 VanDerWaalsContact C-N 3.31Å; R405-A407 PolarHBondContact O-N 3.41Å; R405-V408 PolarHBondContact O-N 3.1Å; R405-I409 WeakPolarHBondContact O-CD1 3.27Å; R405-I409 VanDerWaalsContact O-CG1 3.24Å; R405-I409 WeakPolarHBondContact O-CG1 3.47Å; R405-I409 PolarHBondContact O-N 2.95Å
406	L	65.2	Low	62.1	Low	22 Å²	22	28.1 Å²	28.1	12%	0.115	14%	0.143	C	C	.	.	H	α-helix	trans	-59.7	-42.2	174.8	-178	65.5	0	0	0	111.5	L402 I403 H404 I409 I410 M431 F432 L435	L402-L406 PolarHBondContact O-N 3.48Å; I403-L406 PolarHBondContact O-N 3.48Å; H404-L406 VanDerWaalsContact C-N 3.34Å; H404-L406 PolarHBondContact O-N 3.24Å; L406-I409 PolarHBondContact O-N 3.48Å; L406-I410 HydrophobicContact CD1-CD1 4.04Å; L406-I410 HydrophobicContact CD1-CG1 4.49Å; L406-I410 HydrophobicContact CG-CD1 3.9Å; L406-I410 WeakPolarHBondContact O-CB 3.44Å; L406-I410 WeakPolarHBondContact O-CG1 3.29Å; L406-I410 PolarHBondContact O-N 3.48Å; L406-M431 HydrophobicContact CD1-CE 3.81Å; L406-F432 HydrophobicContact CD2-CE1 3.83Å; L406-F432 HydrophobicContact CD2-CZ 4.15Å; L406-L435 HydrophobicContact CD2-CD2 3.93Å
407	A	68.4	Low	60.2	Low	2 Å²	2	31.6 Å²	31.6	2%	0.017	16%	0.158	C	C	.	.	H	α-helix	trans	-60.7	-46.3	175.8	0	0	0	0	0	111.9	I403 H404 R405 I410 A411 L607 H610 I611	I403-A407 WeakPolarHBondContact O-CB 3.3Å; I403-A407 PolarHBondContact O-N 2.98Å; H404-A407 WeakPolarHBondContact O-CB 3.12Å; H404-A407 PolarHBondContact O-N 3.37Å; H404-A407 VanDerWaalsContact O-N 3.11Å; R405-A407 VanDerWaalsContact C-N 3.31Å; R405-A407 PolarHBondContact O-N 3.41Å; A407-I410 PolarHBondContact O-N 3.12Å; A407-A411 PolarHBondContact O-N 3.21Å; A407-L607 HydrophobicContact CB-CB 4.22Å; A407-L607 HydrophobicContact CB-CD2 4.1Å; A407-H610 HydrophobicContact CB-CB 3.62Å; A407-I611 HydrophobicContact CB-CG1 4.29Å
408	V	62.4	Low	58.8	Low	3 Å²	3	38.8 Å²	38.8	2%	0.018	19%	0.189	C	C	.	.	H	α-helix	trans	-66.4	-40.6	178.3	-161.3	0	0	0	0	111.5	A347 H404 R405 I410 A411 N412 E614	A347-V408 HydrophobicContact CB-CB 3.89Å; A347-V408 HydrophobicContact CB-CG1 3.67Å; A347-V408 HydrophobicContact CB-CG2 4.23Å; H404-V408 VanDerWaalsContact O-CG2 3.28Å; H404-V408 WeakPolarHBondContact O-CG2 3.2Å; H404-V408 PolarHBondContact O-N 3.29Å; R405-V408 PolarHBondContact O-N 3.1Å; V408-I410 VanDerWaalsContact C-N 3.32Å; V408-I410 PolarHBondContact O-N 2.77Å; V408-A411 PolarHBondContact O-N 3.07Å; V408-N412 VanDerWaalsContact O-CB 3.25Å; V408-N412 WeakPolarHBondContact O-CB 3.33Å; V408-N412 VanDerWaalsContact O-CG 3.25Å; V408-N412 PolarHBondContact O-N 3.05Å; V408-E614 HydrophobicContact CB-CG 4.5Å; V408-E614 HydrophobicContact CG1-CG 4.06Å; V408-E614 HydrophobicContact CG2-CB 4.47Å; V408-E614 HydrophobicContact CG2-CG 3.74Å
409	I	59.5	Low	57.4	Low	82 Å²	82	41.4 Å²	41.4	42%	0.421	20%	0.197	S	C	.	.	H	α-helix	trans	-61.2	-41.2	175.9	-66.9	163.6	0	0	0	111	R405 L406 L413 M431	R405-I409 WeakPolarHBondContact O-CD1 3.27Å; R405-I409 VanDerWaalsContact O-CG1 3.24Å; R405-I409 WeakPolarHBondContact O-CG1 3.47Å; R405-I409 PolarHBondContact O-N 2.95Å; L406-I409 PolarHBondContact O-N 3.48Å; I409-L413 HydrophobicContact CG2-CD1 3.94Å; I409-L413 HydrophobicContact CG2-CG 4.43Å; I409-L413 WeakPolarHBondContact O-CB 3.42Å; I409-L413 VanDerWaalsContact O-CG 3.27Å; I409-L413 WeakPolarHBondContact O-CG 3.34Å; I409-L413 PolarHBondContact O-N 2.82Å; I409-M431 HydrophobicContact CB-CE 4.44Å; I409-M431 HydrophobicContact CG2-CE 3.58Å
410	I	62.4	Low	56.4	Low	1 Å²	1	45.9 Å²	45.9	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-67	-45.7	177.4	-72.4	166.1	0	0	0	111.2	L406 A407 V408 N412 L413 L414 I428 M431 F432 L607	L406-I410 HydrophobicContact CD1-CD1 4.04Å; L406-I410 HydrophobicContact CD1-CG1 4.49Å; L406-I410 HydrophobicContact CG-CD1 3.9Å; L406-I410 WeakPolarHBondContact O-CB 3.44Å; L406-I410 WeakPolarHBondContact O-CG1 3.29Å; L406-I410 PolarHBondContact O-N 3.48Å; A407-I410 PolarHBondContact O-N 3.12Å; V408-I410 VanDerWaalsContact C-N 3.32Å; V408-I410 PolarHBondContact O-N 2.77Å; I410-N412 PolarHBondContact O-N 3.1Å; I410-L413 PolarHBondContact O-N 2.85Å; I410-L414 HydrophobicContact CG2-CD1 4.19Å; I410-L414 WeakPolarHBondContact O-CG 3.32Å; I410-L414 PolarHBondContact O-N 2.91Å; I410-L414 VanDerWaalsContact O-N 3.12Å; I410-I428 HydrophobicContact CD1-CG2 4.11Å; I410-I428 HydrophobicContact CG2-CD1 3.88Å; I410-I428 HydrophobicContact CG2-CG1 4.05Å; I410-M431 HydrophobicContact CG1-CE 4.07Å; I410-M431 HydrophobicContact CG1-SD 4.09Å; I410-F432 HydrophobicContact CD1-CE2 4.05Å; I410-F432 HydrophobicContact CD1-CZ 4.24Å; I410-L607 HydrophobicContact CD1-CD1 3.58Å
411	A	58.5	Low	55.7	Low	4 Å²	4	47.5 Å²	47.5	3%	0.033	22%	0.223	C	C	.	.	H	α-helix	trans	-58	-48.6	175.2	0	0	0	0	0	111.4	L340 F344 A407 V408 L413 L414 V415	L340-A411 HydrophobicContact CD2-CB 4.01Å; F344-A411 HydrophobicContact CB-CB 4.46Å; A407-A411 PolarHBondContact O-N 3.21Å; V408-A411 PolarHBondContact O-N 3.07Å; A411-L413 PolarHBondContact O-N 2.93Å; A411-L414 WeakPolarHBondContact O-CB 3.38Å; A411-L414 PolarHBondContact O-N 2.97Å; A411-V415 WeakPolarHBondContact O-CG2 3.46Å; A411-V415 PolarHBondContact O-N 3.16Å; A411-V415 VanDerWaalsContact O-N 3.13Å
412	N	50.4	Low	55.1	Low	17 Å²	17	51.7 Å²	51.7	9%	0.091	24%	0.244	C	C	.	.	H	α-helix	trans	-55.6	-46	174.2	-82.3	-10.9	0	0	0	113.3	D346 V408 I410 L414 V415 Y416	D346-N412 WeakPolarHBondContact CA-ND2 3.43Å; D346-N412 WeakPolarHBondContact CA-OD1 3.4Å; D346-N412 PolarHBondContact N-OD1 3.21Å; D346-N412 VanDerWaalsContact OD1-CG 3.28Å; D346-N412 PolarHBondContact OD1-ND2 3.12Å; D346-N412 PolarHBondContact OD1-OD1 3.16Å; V408-N412 VanDerWaalsContact O-CB 3.25Å; V408-N412 WeakPolarHBondContact O-CB 3.33Å; V408-N412 VanDerWaalsContact O-CG 3.25Å; V408-N412 PolarHBondContact O-N 3.05Å; I410-N412 PolarHBondContact O-N 3.1Å; N412-L414 VanDerWaalsContact C-N 3.29Å; N412-L414 PolarHBondContact O-N 3.37Å; N412-V415 PolarHBondContact O-N 3.44Å; N412-Y416 HydrophobicContact CB-CD2 4.32Å; N412-Y416 WeakPolarHBondContact O-CB 3.27Å; N412-Y416 WeakPolarHBondContact O-CD2 3.44Å; N412-Y416 PolarHBondContact O-N 3.41Å
413	L	50.9	Low	54.8	Low	43 Å²	43	51.1 Å²	51.1	23%	0.225	24%	0.242	C	C	.	.	H	α-helix	trans	-64	-35.3	-179	-79.6	169	0	0	0	112.3	I409 I410 A411 L427 M431	I409-L413 HydrophobicContact CG2-CD1 3.94Å; I409-L413 HydrophobicContact CG2-CG 4.43Å; I409-L413 WeakPolarHBondContact O-CB 3.42Å; I409-L413 VanDerWaalsContact O-CG 3.27Å; I409-L413 WeakPolarHBondContact O-CG 3.34Å; I409-L413 PolarHBondContact O-N 2.82Å; I410-L413 PolarHBondContact O-N 2.85Å; A411-L413 PolarHBondContact O-N 2.93Å; L413-L427 HydrophobicContact CD1-CD2 4.22Å; L413-L427 HydrophobicContact CD2-CD2 4.3Å; L413-M431 HydrophobicContact CD1-CE 4.05Å; L413-M431 HydrophobicContact CD1-SD 3.48Å; L413-M431 WeakPolarHBondContact CD1-SD 3.32Å
414	L	49.2	Very low	54.3	Low	11 Å²	11	51.6 Å²	51.6	6%	0.058	25%	0.245	C	C	.	.	H	α-helix	trans	-67	-36.8	174.4	-69.8	168	0	0	0	112.2	V337 L340 L341 I410 A411 N412 C424 I428	V337-L414 HydrophobicContact CG1-CD1 4.18Å; V337-L414 HydrophobicContact CG1-CD2 3.82Å; L340-L414 HydrophobicContact CB-CD1 3.79Å; L340-L414 HydrophobicContact CD1-CD1 3.87Å; L340-L414 HydrophobicContact CD2-CD1 4.44Å; L340-L414 HydrophobicContact CG-CD1 4.27Å; L341-L414 HydrophobicContact CD2-CB 3.98Å; L341-L414 WeakPolarHBondContact CD2-O 3.4Å; I410-L414 HydrophobicContact CG2-CD1 4.19Å; I410-L414 WeakPolarHBondContact O-CG 3.32Å; I410-L414 PolarHBondContact O-N 2.91Å; I410-L414 VanDerWaalsContact O-N 3.12Å; A411-L414 WeakPolarHBondContact O-CB 3.38Å; A411-L414 PolarHBondContact O-N 2.97Å; N412-L414 VanDerWaalsContact C-N 3.29Å; N412-L414 PolarHBondContact O-N 3.37Å; L414-C424 HydrophobicContact CD2-CB 3.65Å; L414-I428 HydrophobicContact CD1-CD1 4.46Å; L414-I428 HydrophobicContact CD2-CD1 4.18Å; L414-I428 HydrophobicContact CG-CD1 4.47Å
415	V	46.9	Very low	54.1	Low	47 Å²	47	52.8 Å²	52.8	29%	0.285	25%	0.251	S	S	.	.	H	α-helix	trans	-79.1	-48.4	179.4	174.6	0	0	0	0	112.2	A411 N412 K417	A411-V415 WeakPolarHBondContact O-CG2 3.46Å; A411-V415 PolarHBondContact O-N 3.16Å; A411-V415 VanDerWaalsContact O-N 3.13Å; N412-V415 PolarHBondContact O-N 3.44Å; V415-K417 PolarHBondContact O-N 3.46Å
416	Y	38.9	Very low	54.2	Low	83 Å²	83	55.2 Å²	55.2	33%	0.325	27%	0.268	S	S	.	.	H	α-helix	trans	-76.3	-21	-169.1	-88.2	-66.4	0	0	0	115.6	D346 N412	D346-Y416 WeakPolarHBondContact OD1-CE2 3.39Å; D346-Y416 VanDerWaalsContact OD2-CE2 3.24Å; D346-Y416 WeakPolarHBondContact OD2-CE2 3.42Å; D346-Y416 VanDerWaalsContact OD2-CZ 3.28Å; D346-Y416 PolarHBondContact OD2-OH 3.27Å; N412-Y416 HydrophobicContact CB-CD2 4.32Å; N412-Y416 WeakPolarHBondContact O-CB 3.27Å; N412-Y416 WeakPolarHBondContact O-CD2 3.44Å; N412-Y416 PolarHBondContact O-N 3.41Å
417	K	38.9	Very low	54.2	Low	85 Å²	85	56.6 Å²	56.6	37%	0.37	28%	0.276	S	S	.	.			trans	-120.5	123.4	-177.6	-69.3	-176.5	176.2	177.5	0	110.1	V415 Y419	V415-K417 PolarHBondContact O-N 3.46Å; K417-Y419 HydrophobicContact CB-CD2 3.55Å; K417-Y419 HydrophobicContact CB-CE2 3.78Å; K417-Y419 HydrophobicContact CB-CG 4.15Å; K417-Y419 HydrophobicContact CD-CD2 3.86Å; K417-Y419 HydrophobicContact CD-CE2 3.13Å; K417-Y419 HydrophobicContact CG-CD2 4.39Å; K417-Y419 HydrophobicContact CG-CE2 4.11Å; K417-Y419 PolarHBondContact NZ-OH 3.49Å; K417-Y419 PolarHBondContact O-N 2.85Å
418	H	42.3	Very low	54.2	Low	167 Å²	167	56.7 Å²	56.7	77%	0.773	28%	0.276	S	S	*	.			trans	-69.5	45.5	169.3	-60	-68.1	0	0	0	112	R304	R304-H418 PolarHBondContact NE-CE1 2.94Å; R304-H418 PolarHBondContact NH2-CE1 3.17Å; R304-H418 PolarHBondContact NH2-NE2 3.46Å
419	Y	41.7	Very low	54.8	Low	97 Å²	97	59.8 Å²	59.8	38%	0.38	29%	0.292	S	S	.	.			trans	-64.3	151.4	170.1	-82.6	-45.9	0	0	0	109.6	K417 D423 C424 L427	K417-Y419 HydrophobicContact CB-CD2 3.55Å; K417-Y419 HydrophobicContact CB-CE2 3.78Å; K417-Y419 HydrophobicContact CB-CG 4.15Å; K417-Y419 HydrophobicContact CD-CD2 3.86Å; K417-Y419 HydrophobicContact CD-CE2 3.13Å; K417-Y419 HydrophobicContact CG-CD2 4.39Å; K417-Y419 HydrophobicContact CG-CE2 4.11Å; K417-Y419 PolarHBondContact NZ-OH 3.49Å; K417-Y419 PolarHBondContact O-N 2.85Å; Y419-D423 HydrophobicContact CD1-CB 3.96Å; Y419-D423 HydrophobicContact CG-CB 4.16Å; Y419-C424 WeakPolarHBondContact CB-SG 3.5Å; Y419-L427 HydrophobicContact CD2-CD2 4.21Å; Y419-L427 HydrophobicContact CE2-CD2 3.62Å
420	E	45.6	Very low	55.3	Low	104 Å²	104	58.5 Å²	58.5	49%	0.486	29%	0.291	S	S	.	.			trans	-70.3	150.3	168.1	-50	-135.5	124.3	0	0	108.8	K311 N422 D423 C424	K311-E420 IonicContact NZ-OE1 3.11Å; K311-E420 PolarHBondContact NZ-OE1 2.75Å; K311-E420 IonicContact NZ-OE2 3.66Å; K311-E420 PolarHBondContact NZ-OE2 2.57Å; E420-N422 PolarHBondContact O-N 2.82Å; E420-N422 VanDerWaalsContact O-N 3.08Å; E420-D423 WeakPolarHBondContact CB-OD2 3.2Å; E420-D423 WeakPolarHBondContact CG-OD2 3.33Å; E420-D423 PolarHBondContact N-OD2 3.36Å; E420-D423 VanDerWaalsContact N-OD2 3.12Å; E420-D423 WeakPolarHBondContact O-CA 3.42Å; E420-D423 WeakPolarHBondContact O-CB 3.24Å; E420-D423 PolarHBondContact O-N 3.27Å; E420-C424 PolarHBondContact O-N 3.29Å
421	F	48.9	Very low	55.6	Low	59 Å²	59	60.4 Å²	60.4	26%	0.259	30%	0.3	S	S	.	.	H	α-helix	trans	-50.4	-39.8	-179.2	173.5	-108.2	0	0	0	113	D334 V337 C424 L425	D334-F421 HydrophobicContact CB-CE1 4.47Å; D334-F421 HydrophobicContact CB-CZ 4.11Å; D334-F421 WeakPolarHBondContact OD1-CE1 3.12Å; D334-F421 WeakPolarHBondContact OD1-CZ 3.22Å; V337-F421 HydrophobicContact CB-CD2 4.34Å; V337-F421 HydrophobicContact CB-CE2 3.7Å; V337-F421 HydrophobicContact CG1-CD2 3.97Å; V337-F421 HydrophobicContact CG1-CE2 3.82Å; V337-F421 HydrophobicContact CG2-CE2 3.89Å; F421-C424 WeakPolarHBondContact O-CB 3.41Å; F421-C424 PolarHBondContact O-N 3.49Å; F421-L425 HydrophobicContact CD1-CD1 4.09Å; F421-L425 HydrophobicContact CE1-CD1 3.48Å; F421-L425 VanDerWaalsContact CE1-CD1 3.48Å; F421-L425 HydrophobicContact CE1-CG 4.18Å; F421-L425 HydrophobicContact CE2-CD1 4.33Å; F421-L425 HydrophobicContact CE2-CD2 4.24Å; F421-L425 HydrophobicContact CE2-CG 4.2Å; F421-L425 HydrophobicContact CZ-CD1 3.63Å; F421-L425 HydrophobicContact CZ-CD2 4.13Å; F421-L425 HydrophobicContact CZ-CG 3.99Å; F421-L425 WeakPolarHBondContact O-CG 3.36Å; F421-L425 PolarHBondContact O-N 2.91Å
422	N	56	Low	56.4	Low	104 Å²	104	60.8 Å²	60.8	56%	0.556	30%	0.301	S	S	*	.	H	α-helix	trans	-65.3	-37.7	174.6	-64.4	-15.4	0	0	0	112.9	E420 L425 L426	E420-N422 PolarHBondContact O-N 2.82Å; E420-N422 VanDerWaalsContact O-N 3.08Å; N422-L425 PolarHBondContact O-N 2.92Å; N422-L426 WeakPolarHBondContact O-CB 3.34Å; N422-L426 VanDerWaalsContact O-CG 3.25Å; N422-L426 WeakPolarHBondContact O-CG 3.12Å; N422-L426 PolarHBondContact O-N 3.31Å
423	D	59.4	Low	57.6	Low	69 Å²	69	63.8 Å²	63.8	37%	0.369	32%	0.317	S	S	.	.	H	α-helix	trans	-67	-38.3	174.7	-55.6	-31.4	0	0	0	110.8	Y419 E420 L426 L427	Y419-D423 HydrophobicContact CD1-CB 3.96Å; Y419-D423 HydrophobicContact CG-CB 4.16Å; E420-D423 WeakPolarHBondContact CB-OD2 3.2Å; E420-D423 WeakPolarHBondContact CG-OD2 3.33Å; E420-D423 PolarHBondContact N-OD2 3.36Å; E420-D423 VanDerWaalsContact N-OD2 3.12Å; E420-D423 WeakPolarHBondContact O-CA 3.42Å; E420-D423 WeakPolarHBondContact O-CB 3.24Å; E420-D423 PolarHBondContact O-N 3.27Å; D423-L426 PolarHBondContact O-N 2.97Å; D423-L427 WeakPolarHBondContact O-CB 3.42Å; D423-L427 PolarHBondContact O-N 2.81Å
424	C	60.2	Low	58.6	Low	11 Å²	11	67.2 Å²	67.2	7%	0.074	33%	0.332	C	S	.	.	H	α-helix	trans	-61	-48.9	172.7	-65.5	0	0	0	0	111.2	L414 Y419 E420 F421 L426 L427 I428	L414-C424 HydrophobicContact CD2-CB 3.65Å; Y419-C424 WeakPolarHBondContact CB-SG 3.5Å; E420-C424 PolarHBondContact O-N 3.29Å; F421-C424 WeakPolarHBondContact O-CB 3.41Å; F421-C424 PolarHBondContact O-N 3.49Å; C424-L426 VanDerWaalsContact C-N 3.32Å; C424-L426 PolarHBondContact O-N 3.41Å; C424-L427 PolarHBondContact O-N 3.16Å; C424-I428 VanDerWaalsContact O-CG1 3.23Å; C424-I428 WeakPolarHBondContact O-CG1 3.34Å; C424-I428 PolarHBondContact O-N 3.38Å
425	L	65.6	Low	59.8	Low	31 Å²	31	68.6 Å²	68.6	16%	0.162	34%	0.339	C	S	.	.	H	α-helix	trans	-60.8	-41	177.1	-68.9	-179.4	0	0	0	111.7	F421 N422 N429 L600	F421-L425 HydrophobicContact CD1-CD1 4.09Å; F421-L425 HydrophobicContact CE1-CD1 3.48Å; F421-L425 VanDerWaalsContact CE1-CD1 3.48Å; F421-L425 HydrophobicContact CE1-CG 4.18Å; F421-L425 HydrophobicContact CE2-CD1 4.33Å; F421-L425 HydrophobicContact CE2-CD2 4.24Å; F421-L425 HydrophobicContact CE2-CG 4.2Å; F421-L425 HydrophobicContact CZ-CD1 3.63Å; F421-L425 HydrophobicContact CZ-CD2 4.13Å; F421-L425 HydrophobicContact CZ-CG 3.99Å; F421-L425 WeakPolarHBondContact O-CG 3.36Å; F421-L425 PolarHBondContact O-N 2.91Å; N422-L425 PolarHBondContact O-N 2.92Å; L425-N429 WeakPolarHBondContact O-CB 3.29Å; L425-N429 PolarHBondContact O-N 3.46Å; L425-L600 HydrophobicContact CB-CD2 4.08Å; L425-L600 HydrophobicContact CD2-CD2 3.81Å; L425-L600 HydrophobicContact CG-CD2 4.47Å
426	L	67.4	Low	61.3	Low	117 Å²	117	67.9 Å²	67.9	61%	0.613	33%	0.332	S	S	*	.	H	α-helix	trans	-62.5	-42.7	174.6	-74.2	169.1	0	0	0	112	N422 D423 C424 S430	N422-L426 WeakPolarHBondContact O-CB 3.34Å; N422-L426 VanDerWaalsContact O-CG 3.25Å; N422-L426 WeakPolarHBondContact O-CG 3.12Å; N422-L426 PolarHBondContact O-N 3.31Å; D423-L426 PolarHBondContact O-N 2.97Å; C424-L426 VanDerWaalsContact C-N 3.32Å; C424-L426 PolarHBondContact O-N 3.41Å; L426-S430 WeakPolarHBondContact O-CB 3.49Å; L426-S430 PolarHBondContact O-N 3.32Å
427	L	64.9	Low	62.9	Low	51 Å²	51	67.5 Å²	67.5	27%	0.267	33%	0.334	S	S	.	.	H	α-helix	trans	-66.9	-46.3	178	-178.7	63.2	0	0	0	112	L413 Y419 D423 C424 N429 S430 M431	L413-L427 HydrophobicContact CD1-CD2 4.22Å; L413-L427 HydrophobicContact CD2-CD2 4.3Å; Y419-L427 HydrophobicContact CD2-CD2 4.21Å; Y419-L427 HydrophobicContact CE2-CD2 3.62Å; D423-L427 WeakPolarHBondContact O-CB 3.42Å; D423-L427 PolarHBondContact O-N 2.81Å; C424-L427 PolarHBondContact O-N 3.16Å; L427-N429 VanDerWaalsContact C-N 3.33Å; L427-N429 PolarHBondContact O-N 3.02Å; L427-S430 WeakPolarHBondContact O-CA 3.29Å; L427-S430 VanDerWaalsContact O-CB 3.29Å; L427-S430 WeakPolarHBondContact O-CB 3.48Å; L427-S430 PolarHBondContact O-N 2.96Å; L427-S430 VanDerWaalsContact O-N 3.12Å; L427-M431 WeakPolarHBondContact O-CG 3.46Å; L427-M431 PolarHBondContact O-N 3.4Å
428	I	68.7	Low	64.6	Low	4 Å²	4	67.3 Å²	67.3	2%	0.021	34%	0.335	C	S	.	.	H	α-helix	trans	-63.1	-42.4	177.8	-63.1	164.6	0	0	0	109.9	I410 L414 C424 S430 M431 F432 L600 L604	I410-I428 HydrophobicContact CD1-CG2 4.11Å; I410-I428 HydrophobicContact CG2-CD1 3.88Å; I410-I428 HydrophobicContact CG2-CG1 4.05Å; L414-I428 HydrophobicContact CD1-CD1 4.46Å; L414-I428 HydrophobicContact CD2-CD1 4.18Å; L414-I428 HydrophobicContact CG-CD1 4.47Å; C424-I428 VanDerWaalsContact O-CG1 3.23Å; C424-I428 WeakPolarHBondContact O-CG1 3.34Å; C424-I428 PolarHBondContact O-N 3.38Å; I428-S430 VanDerWaalsContact C-N 3.3Å; I428-S430 PolarHBondContact O-N 2.62Å; I428-M431 WeakPolarHBondContact O-CB 3.45Å; I428-M431 PolarHBondContact O-N 3.06Å; I428-M431 VanDerWaalsContact O-N 3.14Å; I428-F432 HydrophobicContact CG2-CD2 3.82Å; I428-F432 HydrophobicContact CG2-CE2 3.67Å; I428-F432 WeakPolarHBondContact O-CD2 3.33Å; I428-F432 PolarHBondContact O-N 3.19Å; I428-L600 HydrophobicContact CB-CD1 4.49Å; I428-L600 HydrophobicContact CG2-CD1 3.88Å; I428-L604 HydrophobicContact CG2-CD2 4.31Å
429	N	73.4	Confident	66.2	Low	69 Å²	69	59.5 Å²	59.5	37%	0.369	30%	0.299	S	S	.	.	H	α-helix	trans	-60.4	-40.3	173.2	-168.6	59.2	0	0	0	111.7	L425 L427 F432 N433 L600	L425-N429 WeakPolarHBondContact O-CB 3.29Å; L425-N429 PolarHBondContact O-N 3.46Å; L427-N429 VanDerWaalsContact C-N 3.33Å; L427-N429 PolarHBondContact O-N 3.02Å; N429-F432 PolarHBondContact O-N 3.06Å; N429-N433 PolarHBondContact O-N 2.87Å; N429-N433 PolarHBondContact O-ND2 3.18Å; N429-L600 HydrophobicContact CB-CD1 4.33Å; N429-L600 HydrophobicContact CB-CD2 4.31Å
430	S	71	Confident	68	Low	55 Å²	55	58.4 Å²	58.4	39%	0.385	30%	0.297	S	S	.	.	H	α-helix	trans	-60.9	-42.9	172.7	-158.3	0	0	0	0	112	L426 L427 I428 F432 N433 E434	L426-S430 WeakPolarHBondContact O-CB 3.49Å; L426-S430 PolarHBondContact O-N 3.32Å; L427-S430 WeakPolarHBondContact O-CA 3.29Å; L427-S430 VanDerWaalsContact O-CB 3.29Å; L427-S430 WeakPolarHBondContact O-CB 3.48Å; L427-S430 PolarHBondContact O-N 2.96Å; L427-S430 VanDerWaalsContact O-N 3.12Å; I428-S430 VanDerWaalsContact C-N 3.3Å; I428-S430 PolarHBondContact O-N 2.62Å; S430-F432 PolarHBondContact O-N 2.95Å; S430-N433 PolarHBondContact O-N 3.42Å; S430-E434 WeakPolarHBondContact O-CG 3.41Å; S430-E434 PolarHBondContact O-N 3.15Å
431	M	69.3	Low	69.4	Low	41 Å²	41	57 Å²	57	20%	0.202	29%	0.292	C	S	.	.	H	α-helix	trans	-63	-40.9	177.4	-69.1	176.1	74.4	0	0	112.7	L406 I409 I410 L413 L427 I428 E434 L435	L406-M431 HydrophobicContact CD1-CE 3.81Å; I409-M431 HydrophobicContact CB-CE 4.44Å; I409-M431 HydrophobicContact CG2-CE 3.58Å; I410-M431 HydrophobicContact CG1-CE 4.07Å; I410-M431 HydrophobicContact CG1-SD 4.09Å; L413-M431 HydrophobicContact CD1-CE 4.05Å; L413-M431 HydrophobicContact CD1-SD 3.48Å; L413-M431 WeakPolarHBondContact CD1-SD 3.32Å; L427-M431 WeakPolarHBondContact O-CG 3.46Å; L427-M431 PolarHBondContact O-N 3.4Å; I428-M431 WeakPolarHBondContact O-CB 3.45Å; I428-M431 PolarHBondContact O-N 3.06Å; I428-M431 VanDerWaalsContact O-N 3.14Å; M431-E434 PolarHBondContact O-N 3.43Å; M431-L435 WeakPolarHBondContact O-CB 3.3Å; M431-L435 PolarHBondContact O-N 3.45Å
432	F	75.2	Confident	70.8	Confident	12 Å²	12	56.7 Å²	56.7	5%	0.053	29%	0.29	C	S	.	.	H	α-helix	trans	-68	-33.8	174.4	-80	-69.6	0	0	0	112.6	L406 I410 I428 N429 S430 L435 Y436 L600 H603 L607	L406-F432 HydrophobicContact CD2-CE1 3.83Å; L406-F432 HydrophobicContact CD2-CZ 4.15Å; I410-F432 HydrophobicContact CD1-CE2 4.05Å; I410-F432 HydrophobicContact CD1-CZ 4.24Å; I428-F432 HydrophobicContact CG2-CD2 3.82Å; I428-F432 HydrophobicContact CG2-CE2 3.67Å; I428-F432 WeakPolarHBondContact O-CD2 3.33Å; I428-F432 PolarHBondContact O-N 3.19Å; N429-F432 PolarHBondContact O-N 3.06Å; S430-F432 PolarHBondContact O-N 2.95Å; F432-L435 HydrophobicContact CD1-CD2 4.24Å; F432-L435 PolarHBondContact O-N 3.29Å; F432-Y436 WeakPolarHBondContact O-CB 3.47Å; F432-Y436 PolarHBondContact O-N 2.8Å; F432-L600 HydrophobicContact CD2-CD1 4.11Å; F432-H603 HydrophobicContact CD1-CB 4.32Å; F432-H603 AromaticContact CD1-CD2 3.51Å; F432-H603 HydrophobicContact CD2-CB 4.19Å; F432-H603 HydrophobicContact CE1-CB 3.95Å; F432-H603 AromaticContact CE1-CD2 3.6Å; F432-H603 HydrophobicContact CE2-CB 3.8Å; F432-H603 HydrophobicContact CG-CB 4.45Å; F432-H603 HydrophobicContact CZ-CB 3.68Å; F432-L607 HydrophobicContact CZ-CD1 4.04Å; F432-L607 HydrophobicContact CZ-CG 4.44Å
433	N	75.4	Confident	72.2	Confident	79 Å²	79	53.8 Å²	53.8	42%	0.422	27%	0.271	S	S	.	.	H	α-helix	trans	-66.2	-43.3	172.7	-69.4	-38.4	0	0	0	112.1	N429 S430 Y436 I437	N429-N433 PolarHBondContact O-N 2.87Å; N429-N433 PolarHBondContact O-ND2 3.18Å; S430-N433 PolarHBondContact O-N 3.42Å; N433-Y436 WeakPolarHBondContact O-CB 3.45Å; N433-Y436 PolarHBondContact O-N 3.33Å; N433-I437 VanDerWaalsContact O-CG1 3.29Å; N433-I437 WeakPolarHBondContact O-CG1 3.47Å; N433-I437 PolarHBondContact O-N 3.42Å
434	E	71.5	Confident	73.3	Confident	116 Å²	116	55.4 Å²	55.4	54%	0.542	28%	0.28	S	S	.	.	H	α-helix	trans	-64.2	-41.1	174.9	-67.3	-58.3	146.9	0	0	111.7	S430 M431 Y436 I437 E438	S430-E434 WeakPolarHBondContact O-CG 3.41Å; S430-E434 PolarHBondContact O-N 3.15Å; M431-E434 PolarHBondContact O-N 3.43Å; E434-Y436 VanDerWaalsContact C-N 3.32Å; E434-Y436 PolarHBondContact O-N 2.74Å; E434-I437 PolarHBondContact O-N 3.25Å; E434-E438 WeakPolarHBondContact O-CB 3.45Å; E434-E438 PolarHBondContact O-N 3.4Å
435	L	74.9	Confident	74.3	Confident	40 Å²	40	63.3 Å²	63.3	21%	0.209	31%	0.308	C	S	.	.	H	α-helix	trans	-58.8	-43	172.6	178.5	65.9	0	0	0	111.6	L406 M431 F432 E438 L439	L406-L435 HydrophobicContact CD2-CD2 3.93Å; M431-L435 WeakPolarHBondContact O-CB 3.3Å; M431-L435 PolarHBondContact O-N 3.45Å; F432-L435 HydrophobicContact CD1-CD2 4.24Å; F432-L435 PolarHBondContact O-N 3.29Å; L435-E438 PolarHBondContact O-N 3.33Å; L435-L439 HydrophobicContact CD1-CD1 4.36Å; L435-L439 HydrophobicContact CD1-CG 4.49Å; L435-L439 HydrophobicContact CG-CD1 4.14Å; L435-L439 WeakPolarHBondContact O-CB 3.49Å; L435-L439 VanDerWaalsContact O-CG 3.26Å; L435-L439 WeakPolarHBondContact O-CG 3.25Å; L435-L439 PolarHBondContact O-N 3.3Å
436	Y	78.1	Confident	75.1	Confident	32 Å²	32	63 Å²	63	13%	0.125	31%	0.306	C	S	.	.	H	α-helix	trans	-63.5	-43.1	175.6	171.7	-95.3	0	0	0	112.2	F432 N433 E434 L439 Q440 L592 K596	F432-Y436 WeakPolarHBondContact O-CB 3.47Å; F432-Y436 PolarHBondContact O-N 2.8Å; N433-Y436 WeakPolarHBondContact O-CB 3.45Å; N433-Y436 PolarHBondContact O-N 3.33Å; E434-Y436 VanDerWaalsContact C-N 3.32Å; E434-Y436 PolarHBondContact O-N 2.74Å; Y436-L439 PolarHBondContact O-N 3.09Å; Y436-Q440 WeakPolarHBondContact O-CB 3.44Å; Y436-Q440 PolarHBondContact O-N 3.13Å; Y436-L592 HydrophobicContact CD2-CD2 4.46Å; Y436-L592 HydrophobicContact CE2-CB 4.09Å; Y436-L592 HydrophobicContact CE2-CD2 4.25Å; Y436-L592 WeakPolarHBondContact CE2-O 3.2Å; Y436-K596 HydrophobicContact CD2-CB 4.29Å; Y436-K596 HydrophobicContact CE1-CD 4.33Å; Y436-K596 HydrophobicContact CE2-CB 3.81Å; Y436-K596 HydrophobicContact CE2-CD 4.39Å; Y436-K596 HydrophobicContact CE2-CG 4.32Å; Y436-K596 WeakPolarHBondContact OH-CD 3.48Å; Y436-K596 PolarHBondContact OH-NZ 3.01Å
437	I	73	Confident	75.4	Confident	75 Å²	75	60.5 Å²	60.5	39%	0.385	29%	0.293	S	S	.	.	H	α-helix	trans	-62.5	-44.3	177.2	-69	162.9	0	0	0	110.8	N433 E434 Q440 L441	N433-I437 VanDerWaalsContact O-CG1 3.29Å; N433-I437 WeakPolarHBondContact O-CG1 3.47Å; N433-I437 PolarHBondContact O-N 3.42Å; E434-I437 PolarHBondContact O-N 3.25Å; I437-Q440 PolarHBondContact O-N 2.86Å; I437-L441 HydrophobicContact CG2-CD1 4.09Å; I437-L441 HydrophobicContact CG2-CG 4.47Å; I437-L441 WeakPolarHBondContact O-CG 3.43Å; I437-L441 PolarHBondContact O-N 3.41Å
438	E	73.5	Confident	75.7	Confident	81 Å²	81	59.1 Å²	59.1	38%	0.379	29%	0.287	S	S	.	.	H	α-helix	trans	-62.9	-41.8	176.5	176.6	62.1	-169.3	0	0	112	E434 L435 L441 R442	E434-E438 WeakPolarHBondContact O-CB 3.45Å; E434-E438 PolarHBondContact O-N 3.4Å; L435-E438 PolarHBondContact O-N 3.33Å; E438-L441 PolarHBondContact O-N 3.18Å; E438-R442 WeakPolarHBondContact O-CB 3.37Å; E438-R442 VanDerWaalsContact O-CG 3.3Å; E438-R442 WeakPolarHBondContact O-CG 3.47Å; E438-R442 PolarHBondContact O-N 3.45Å; E438-R442 IonicContact OE1-CZ 3.89Å; E438-R442 IonicContact OE1-NE 3.27Å; E438-R442 PolarHBondContact OE1-NE 3.08Å; E438-R442 IonicContact OE1-NH2 3.96Å; E438-R442 PolarHBondContact OE1-NH2 2.89Å
439	L	76.6	Confident	75.6	Confident	3 Å²	3	59.9 Å²	59.9	2%	0.016	29%	0.291	C	S	.	.	H	α-helix	trans	-65.4	-38	173.8	-70	169.4	0	0	0	112	L435 Y436 R442 Y443 L449 L517 F520 L592 L595	L435-L439 HydrophobicContact CD1-CD1 4.36Å; L435-L439 HydrophobicContact CD1-CG 4.49Å; L435-L439 HydrophobicContact CG-CD1 4.14Å; L435-L439 WeakPolarHBondContact O-CB 3.49Å; L435-L439 VanDerWaalsContact O-CG 3.26Å; L435-L439 WeakPolarHBondContact O-CG 3.25Å; L435-L439 PolarHBondContact O-N 3.3Å; Y436-L439 PolarHBondContact O-N 3.09Å; L439-R442 PolarHBondContact O-N 3.33Å; L439-Y443 PolarHBondContact O-N 3.08Å; L439-L449 HydrophobicContact CD2-CD1 4.11Å; L439-L449 HydrophobicContact CD2-CD2 4.05Å; L439-L449 HydrophobicContact CD2-CG 4.43Å; L439-L517 HydrophobicContact CD1-CD2 3.83Å; L439-L517 HydrophobicContact CD2-CD2 3.92Å; L439-F520 HydrophobicContact CB-CE1 4.47Å; L439-F520 HydrophobicContact CB-CZ 4.34Å; L439-F520 HydrophobicContact CD2-CD1 4.12Å; L439-F520 HydrophobicContact CD2-CE1 3.73Å; L439-F520 HydrophobicContact CD2-CZ 4.41Å; L439-F520 WeakPolarHBondContact O-CZ 3.39Å; L439-L592 HydrophobicContact CB-CD2 3.81Å; L439-L595 HydrophobicContact CD1-CD1 3.89Å
440	Q	80.3	Confident	74.8	Confident	74 Å²	74	59.4 Å²	59.4	35%	0.346	29%	0.292	S	S	.	.	H	α-helix	trans	-65.7	-45.6	175.2	-174.4	176	-5.7	0	0	111.6	Y436 I437 R442 Y443 D444	Y436-Q440 WeakPolarHBondContact O-CB 3.44Å; Y436-Q440 PolarHBondContact O-N 3.13Å; I437-Q440 PolarHBondContact O-N 2.86Å; Q440-R442 PolarHBondContact O-N 2.95Å; Q440-Y443 WeakPolarHBondContact O-CB 3.45Å; Q440-Y443 PolarHBondContact O-N 3.03Å; Q440-Y443 VanDerWaalsContact O-N 3.12Å; Q440-D444 PolarHBondContact O-N 2.77Å
441	L	73.8	Confident	73.9	Confident	74 Å²	74	60.3 Å²	60.3	39%	0.387	30%	0.295	S	S	.	.	H	α-helix	trans	-60.4	-35.7	175	-72.5	170.8	0	0	0	112.2	I437 E438 R445	I437-L441 HydrophobicContact CG2-CD1 4.09Å; I437-L441 HydrophobicContact CG2-CG 4.47Å; I437-L441 WeakPolarHBondContact O-CG 3.43Å; I437-L441 PolarHBondContact O-N 3.41Å; E438-L441 PolarHBondContact O-N 3.18Å; L441-R445 WeakPolarHBondContact O-CB 3.35Å; L441-R445 WeakPolarHBondContact O-CG 3.45Å; L441-R445 PolarHBondContact O-N 2.83Å; L441-R445 VanDerWaalsContact O-N 3.13Å
442	R	79.7	Confident	72.9	Confident	53 Å²	53	62.1 Å²	62.1	20%	0.2	30%	0.303	C	S	.	.	H	α-helix	trans	-68.5	-39.6	173.2	-78.6	178.3	-171.7	-89.6	-12.7	112.8	E438 L439 Q440 L446 I447 C448	E438-R442 WeakPolarHBondContact O-CB 3.37Å; E438-R442 VanDerWaalsContact O-CG 3.3Å; E438-R442 WeakPolarHBondContact O-CG 3.47Å; E438-R442 PolarHBondContact O-N 3.45Å; E438-R442 IonicContact OE1-CZ 3.89Å; E438-R442 IonicContact OE1-NE 3.27Å; E438-R442 PolarHBondContact OE1-NE 3.08Å; E438-R442 IonicContact OE1-NH2 3.96Å; E438-R442 PolarHBondContact OE1-NH2 2.89Å; L439-R442 PolarHBondContact O-N 3.33Å; Q440-R442 PolarHBondContact O-N 2.95Å; R442-L446 CarbonylContact O-C 3.59Å; R442-L446 VanDerWaalsContact O-CA 3.29Å; R442-L446 WeakPolarHBondContact O-CA 3.49Å; R442-L446 PolarHBondContact O-N 3.21Å; R442-I447 HydrophobicContact CB-CB 4.49Å; R442-I447 WeakPolarHBondContact CB-O 3.29Å; R442-I447 HydrophobicContact CG-CB 4.19Å; R442-I447 HydrophobicContact CG-CG2 4.35Å; R442-I447 PolarHBondContact O-N 3.06Å; R442-C448 PolarHBondContact NH1-O 3.26Å
443	Y	85	Confident	71.4	Confident	43 Å²	43	67.6 Å²	67.6	17%	0.169	33%	0.33	C	S	.	.	H	α-helix	trans	-62.5	-51.9	172.1	171.3	-97.3	0	0	0	111.4	L439 Q440 R445 L446 L585 A588 L592	L439-Y443 PolarHBondContact O-N 3.08Å; Q440-Y443 WeakPolarHBondContact O-CB 3.45Å; Q440-Y443 PolarHBondContact O-N 3.03Å; Q440-Y443 VanDerWaalsContact O-N 3.12Å; Y443-R445 PolarHBondContact O-N 2.91Å; Y443-L446 WeakPolarHBondContact O-CD2 3.23Å; Y443-L446 PolarHBondContact O-N 3.4Å; Y443-L585 HydrophobicContact CE2-CB 4.42Å; Y443-L585 HydrophobicContact CE2-CD2 3.91Å; Y443-L585 PolarHBondContact OH-O 2.86Å; Y443-A588 HydrophobicContact CD2-CB 3.84Å; Y443-A588 HydrophobicContact CE2-CB 3.86Å; Y443-L592 HydrophobicContact CD1-CD1 4.11Å; Y443-L592 HydrophobicContact CD2-CD1 4.26Å; Y443-L592 HydrophobicContact CG-CD1 3.78Å
444	D	81.6	Confident	69.6	Low	102 Å²	102	68.6 Å²	68.6	55%	0.545	34%	0.335	S	S	.	.	H	α-helix	trans	-58.6	-34.8	-178.2	-69.4	-20.3	0	0	0	112.5	Q440	Q440-D444 PolarHBondContact O-N 2.77Å
445	R	81.7	Confident	68.1	Low	177 Å²	177	66.2 Å²	66.2	67%	0.668	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	0.6	179.2	-62.6	179.2	178.7	-166.3	-0.7	114.2	L441 Y443 I447	L441-R445 WeakPolarHBondContact O-CB 3.35Å; L441-R445 WeakPolarHBondContact O-CG 3.45Å; L441-R445 PolarHBondContact O-N 2.83Å; L441-R445 VanDerWaalsContact O-N 3.13Å; Y443-R445 PolarHBondContact O-N 2.91Å; R445-I447 VanDerWaalsContact C-N 3.28Å; R445-I447 HydrophobicContact CB-CD1 3.62Å; R445-I447 HydrophobicContact CB-CG1 3.72Å; R445-I447 HydrophobicContact CG-CD1 4.37Å; R445-I447 PolarHBondContact O-N 2.89Å
446	L	81.5	Confident	66.5	Low	25 Å²	25	66.9 Å²	66.9	13%	0.131	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.5	46.1	-170.6	-53.3	175.8	0	0	0	112.7	R442 Y443 I524 A527 R528 L585	R442-L446 CarbonylContact O-C 3.59Å; R442-L446 VanDerWaalsContact O-CA 3.29Å; R442-L446 WeakPolarHBondContact O-CA 3.49Å; R442-L446 PolarHBondContact O-N 3.21Å; Y443-L446 WeakPolarHBondContact O-CD2 3.23Å; Y443-L446 PolarHBondContact O-N 3.4Å; L446-I524 HydrophobicContact CB-CG2 4.26Å; L446-A527 HydrophobicContact CD2-CB 4.08Å; L446-R528 HydrophobicContact CB-CG 4.34Å; L446-R528 PolarHBondContact O-NE 3.24Å; L446-R528 PolarHBondContact O-NH2 2.88Å; L446-L585 HydrophobicContact CD2-CD2 3.65Å
447	I	74.8	Confident	64.6	Low	64 Å²	64	70.3 Å²	70.3	33%	0.328	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-98.2	117.3	178.7	-63.3	171.6	0	0	0	109.3	R442 R445	R442-I447 HydrophobicContact CB-CB 4.49Å; R442-I447 WeakPolarHBondContact CB-O 3.29Å; R442-I447 HydrophobicContact CG-CB 4.19Å; R442-I447 HydrophobicContact CG-CG2 4.35Å; R442-I447 PolarHBondContact O-N 3.06Å; R445-I447 VanDerWaalsContact C-N 3.28Å; R445-I447 HydrophobicContact CB-CD1 3.62Å; R445-I447 HydrophobicContact CB-CG1 3.72Å; R445-I447 HydrophobicContact CG-CD1 4.37Å; R445-I447 PolarHBondContact O-N 2.89Å
448	C	70.4	Confident	62.9	Low	23 Å²	23	70.7 Å²	70.7	16%	0.155	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-61.3	152.8	177.3	-59	0	0	0	0	112.4	R442 N521 L525	R442-C448 PolarHBondContact NH1-O 3.26Å; C448-N521 WeakPolarHBondContact CA-OD1 3.25Å; C448-N521 WeakPolarHBondContact CB-OD1 3.49Å; C448-L525 WeakPolarHBondContact SG-CD2 3.22Å
449	L	67.3	Low	60.9	Low	20 Å²	20	71.6 Å²	71.6	11%	0.105	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-69.1	146.3	163.1	-70.5	170.4	0	0	0	109.6	L402 L439 V451 L517 F520 N521	L402-L449 HydrophobicContact CD2-CD2 4.45Å; L439-L449 HydrophobicContact CD2-CD1 4.11Å; L439-L449 HydrophobicContact CD2-CD2 4.05Å; L439-L449 HydrophobicContact CD2-CG 4.43Å; L449-V451 PolarHBondContact O-N 3.43Å; L449-V451 VanDerWaalsContact O-N 3.14Å; L449-L517 HydrophobicContact CD1-CB 4Å; L449-L517 HydrophobicContact CD1-CD1 4.4Å; L449-L517 HydrophobicContact CD1-CD2 4.21Å; L449-L517 HydrophobicContact CD1-CG 4.44Å; L449-F520 HydrophobicContact CD1-CD1 4.38Å; L449-N521 PolarHBondContact N-OD1 2.93Å; L449-N521 PolarHBondContact O-ND2 3.03Å
450	P	56.4	Low	59.1	Low	59 Å²	59	75.4 Å²	75.4	38%	0.383	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-56.8	119.7	178.1	-23.1	33.6	0	0	0	111.3	L454 Y455	P450-L454 HydrophobicContact CB-CD1 4.46Å; P450-Y455 HydrophobicContact CB-CE2 3.86Å
451	V	51.6	Low	56.9	Low	73 Å²	73	77.8 Å²	77.8	44%	0.442	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-72.4	147.4	-178.9	-167	0	0	0	0	109.7	L449 M453 L454	L449-V451 PolarHBondContact O-N 3.43Å; L449-V451 VanDerWaalsContact O-N 3.14Å; V451-M453 PolarHBondContact O-N 3.41Å; V451-L454 PolarHBondContact O-N 2.95Å
452	Q	48.4	Very low	54.9	Low	79 Å²	79	80.9 Å²	80.9	37%	0.369	39%	0.39	S	S	.	.	H	α-helix	trans	-50.3	-34.9	-178.3	-173.9	173.2	-31.3	0	0	113.7	Q388 N398 L454 Y455 E456	Q388-Q452 VanDerWaalsContact NE2-NE2 3.19Å; N398-Q452 VanDerWaalsContact ND2-CD 3.32Å; N398-Q452 PolarHBondContact ND2-NE2 3.05Å; N398-Q452 PolarHBondContact ND2-OE1 3.29Å; Q452-L454 VanDerWaalsContact C-N 3.28Å; Q452-L454 PolarHBondContact O-N 2.82Å; Q452-Y455 PolarHBondContact O-N 2.93Å; Q452-E456 PolarHBondContact NE2-OE1 2.86Å; Q452-E456 PolarHBondContact O-N 3.14Å; Q452-E456 VanDerWaalsContact O-N 3.13Å
453	M	44.7	Very low	52.6	Low	127 Å²	127	81.3 Å²	81.3	63%	0.626	40%	0.396	S	S	*	.	H	α-helix	trans	-51.6	-40.7	175.3	-68	-64.6	-65.6	0	0	113.7	V451 Y455 E456 E457	V451-M453 PolarHBondContact O-N 3.41Å; M453-Y455 VanDerWaalsContact C-N 3.29Å; M453-Y455 PolarHBondContact O-N 3.23Å; M453-E456 PolarHBondContact O-N 3.12Å; M453-E457 PolarHBondContact O-N 2.93Å
454	L	37.4	Very low	50.3	Low	100 Å²	100	84.7 Å²	84.7	52%	0.524	42%	0.416	S	S	.	.	H	α-helix	trans	-64.6	-34.9	179.2	-75.1	165.2	0	0	0	111.9	P450 V451 Q452 V458	P450-L454 HydrophobicContact CB-CD1 4.46Å; V451-L454 PolarHBondContact O-N 2.95Å; Q452-L454 VanDerWaalsContact C-N 3.28Å; Q452-L454 PolarHBondContact O-N 2.82Å; L454-V458 VanDerWaalsContact O-CG2 3.26Å; L454-V458 WeakPolarHBondContact O-CG2 3.41Å; L454-V458 PolarHBondContact O-N 3.27Å; L454-V458 VanDerWaalsContact O-N 3.17Å
455	Y	39.7	Very low	48	Very low	67 Å²	67	85.8 Å²	85.8	26%	0.263	42%	0.421	S	S	.	.	H	α-helix	trans	-73.8	-39.2	177.1	-65.1	-73.1	0	0	0	111.8	I400 P450 Q452 M453 V458 F459	I400-Y455 HydrophobicContact CG2-CG 4.41Å; P450-Y455 HydrophobicContact CB-CE2 3.86Å; Q452-Y455 PolarHBondContact O-N 2.93Å; M453-Y455 VanDerWaalsContact C-N 3.29Å; M453-Y455 PolarHBondContact O-N 3.23Å; Y455-V458 PolarHBondContact O-N 3.49Å; Y455-F459 WeakPolarHBondContact O-CB 3.45Å; Y455-F459 PolarHBondContact O-N 2.9Å
456	E	41	Very low	45.5	Very low	53 Å²	53	81.9 Å²	81.9	25%	0.248	41%	0.414	C	S	.	.	H	α-helix	trans	-68.4	-38.4	176.8	-69.8	-179.8	-169.4	0	0	111.6	Q388 Q452 M453 N460	Q388-E456 PolarHBondContact NE2-OE1 3.48Å; Q388-E456 VanDerWaalsContact NE2-OE1 3.16Å; Q452-E456 PolarHBondContact NE2-OE1 2.86Å; Q452-E456 PolarHBondContact O-N 3.14Å; Q452-E456 VanDerWaalsContact O-N 3.13Å; M453-E456 PolarHBondContact O-N 3.12Å; E456-N460 WeakPolarHBondContact O-CB 3.49Å; E456-N460 PolarHBondContact O-N 3.32Å; E456-N460 PolarHBondContact O-ND2 3.42Å; E456-N460 VanDerWaalsContact O-ND2 3.09Å
457	E	38.2	Very low	43	Very low	104 Å²	104	84.7 Å²	84.7	49%	0.486	44%	0.435	S	S	.	.	H	α-helix	trans	-61.7	-44.4	171	-84.6	-146.5	-178.2	0	0	113.3	M453 N460 K461	M453-E457 PolarHBondContact O-N 2.93Å; E457-N460 PolarHBondContact O-N 3.28Å; E457-K461 WeakPolarHBondContact O-CB 3.24Å; E457-K461 WeakPolarHBondContact O-CG 3.48Å; E457-K461 PolarHBondContact O-N 3.42Å; E457-K461 IonicContact OE2-NZ 3.41Å; E457-K461 PolarHBondContact OE2-NZ 3.23Å
458	V	37.7	Very low	40.9	Very low	83 Å²	83	88.6 Å²	88.6	50%	0.503	46%	0.457	S	S	.	.	H	α-helix	trans	-66.2	-45.2	179.9	170.5	0	0	0	0	110.5	L454 Y455 K461 F462	L454-V458 VanDerWaalsContact O-CG2 3.26Å; L454-V458 WeakPolarHBondContact O-CG2 3.41Å; L454-V458 PolarHBondContact O-N 3.27Å; L454-V458 VanDerWaalsContact O-N 3.17Å; Y455-V458 PolarHBondContact O-N 3.49Å; V458-K461 PolarHBondContact O-N 2.93Å; V458-F462 HydrophobicContact CG1-CD2 4.21Å; V458-F462 HydrophobicContact CG1-CE2 4.44Å; V458-F462 WeakPolarHBondContact O-CD2 3.48Å; V458-F462 PolarHBondContact O-N 3.12Å
459	F	31.8	Very low	38.9	Very low	100 Å²	100	96 Å²	96	44%	0.439	49%	0.489	S	S	.	.	H	α-helix	trans	-63.8	-42.1	175.5	-102.9	-86.5	0	0	0	112.5	Y455 F462 N463	Y455-F459 WeakPolarHBondContact O-CB 3.45Å; Y455-F459 PolarHBondContact O-N 2.9Å; F459-F462 PolarHBondContact O-N 3.39Å; F459-N463 PolarHBondContact O-N 2.96Å
460	N	37.7	Very low	37.1	Very low	84 Å²	84	102.2 Å²	102.2	45%	0.449	52%	0.521	S	S	.	.	H	α-helix	trans	-66.9	-38.3	177.5	-71.5	-27.6	0	0	0	111.8	E456 E457 F462 N463 I464	E456-N460 WeakPolarHBondContact O-CB 3.49Å; E456-N460 PolarHBondContact O-N 3.32Å; E456-N460 PolarHBondContact O-ND2 3.42Å; E456-N460 VanDerWaalsContact O-ND2 3.09Å; E457-N460 PolarHBondContact O-N 3.28Å; N460-F462 VanDerWaalsContact C-N 3.33Å; N460-F462 PolarHBondContact O-N 3.26Å; N460-N463 PolarHBondContact O-N 3.49Å; N460-I464 WeakPolarHBondContact O-CB 3.25Å; N460-I464 WeakPolarHBondContact O-CD1 3.49Å; N460-I464 WeakPolarHBondContact O-CG1 3.44Å; N460-I464 PolarHBondContact O-N 2.95Å
461	K	34.9	Very low	35.7	Very low	123 Å²	123	107 Å²	107	54%	0.535	54%	0.542	S	S	.	.	H	α-helix	trans	-62.7	-36.8	171.9	-84.1	169.3	177.6	146.1	0	112.6	E457 V458 N465	E457-K461 WeakPolarHBondContact O-CB 3.24Å; E457-K461 WeakPolarHBondContact O-CG 3.48Å; E457-K461 PolarHBondContact O-N 3.42Å; E457-K461 IonicContact OE2-NZ 3.41Å; E457-K461 PolarHBondContact OE2-NZ 3.23Å; V458-K461 PolarHBondContact O-N 2.93Å; K461-N465 PolarHBondContact O-ND2 2.93Å
462	F	31.4	Very low	34.4	Very low	140 Å²	140	111.8 Å²	111.8	61%	0.614	56%	0.559	S	S	*	*	H	α-helix	trans	-69.2	-45.2	173.2	-95.6	-87.9	0	0	0	112.2	V458 F459 N460 N465 N466	V458-F462 HydrophobicContact CG1-CD2 4.21Å; V458-F462 HydrophobicContact CG1-CE2 4.44Å; V458-F462 WeakPolarHBondContact O-CD2 3.48Å; V458-F462 PolarHBondContact O-N 3.12Å; F459-F462 PolarHBondContact O-N 3.39Å; N460-F462 VanDerWaalsContact C-N 3.33Å; N460-F462 PolarHBondContact O-N 3.26Å; F462-N465 PolarHBondContact O-N 3.33Å; F462-N466 PolarHBondContact O-N 2.86Å
463	N	32.4	Very low	33.3	Very low	62 Å²	62	117.2 Å²	117.2	33%	0.332	59%	0.585	S	S	.	*	H	α-helix	trans	-66.4	-37.9	179.3	-86.2	-0.2	0	0	0	113.1	N383 F459 N460 N465 N466 S467	N383-N463 PolarHBondContact OD1-ND2 3.13Å; F459-N463 PolarHBondContact O-N 2.96Å; N460-N463 PolarHBondContact O-N 3.49Å; N463-N465 PolarHBondContact O-N 3.41Å; N463-N466 PolarHBondContact O-N 2.79Å; N463-N466 VanDerWaalsContact O-N 3.09Å; N463-S467 VanDerWaalsContact O-CB 3.28Å; N463-S467 WeakPolarHBondContact O-CB 3.45Å; N463-S467 PolarHBondContact O-N 3.35Å; N463-S467 PolarHBondContact O-OG 2.86Å
464	I	35.7	Very low	32.4	Very low	114 Å²	114	119.6 Å²	119.6	59%	0.585	59%	0.594	S	S	*	*	H	α-helix	trans	-60.4	-29.3	175.5	-71.7	163.4	0	0	0	112	N460 S467	N460-I464 WeakPolarHBondContact O-CB 3.25Å; N460-I464 WeakPolarHBondContact O-CD1 3.49Å; N460-I464 WeakPolarHBondContact O-CG1 3.44Å; N460-I464 PolarHBondContact O-N 2.95Å; I464-S467 PolarHBondContact O-OG 3.35Å
465	N	32.7	Very low	31.8	Very low	124 Å²	124	123.8 Å²	123.8	66%	0.663	61%	0.611	S	S	*	*	H	α-helix	trans	-81.1	-24.9	176.9	-72.6	-25.8	0	0	0	113.3	K461 F462 N463	K461-N465 PolarHBondContact O-ND2 2.93Å; F462-N465 PolarHBondContact O-N 3.33Å; N463-N465 PolarHBondContact O-N 3.41Å
466	N	30	Very low	31.2	Very low	96 Å²	96	129 Å²	129	51%	0.513	64%	0.638	S	S	.	*	H	α-helix	trans	-98.8	-14.8	179.5	-77	-6.8	0	0	0	113.9	F462 N463 N468 E469	F462-N466 PolarHBondContact O-N 2.86Å; N463-N466 PolarHBondContact O-N 2.79Å; N463-N466 VanDerWaalsContact O-N 3.09Å; N466-N468 PolarHBondContact O-N 2.99Å; N466-E469 PolarHBondContact O-N 3.15Å
467	S	29.5	Very low	30.7	Very low	83 Å²	83	129 Å²	129	58%	0.58	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72	18.2	-176.2	64.3	0	0	0	0	115.5	N463 I464	N463-S467 VanDerWaalsContact O-CB 3.28Å; N463-S467 WeakPolarHBondContact O-CB 3.45Å; N463-S467 PolarHBondContact O-N 3.35Å; N463-S467 PolarHBondContact O-OG 2.86Å; I464-S467 PolarHBondContact O-OG 3.35Å
468	N	29.4	Very low	30.6	Very low	147 Å²	147	128.1 Å²	128.1	79%	0.786	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.3	-10	170.6	-76.8	-28.6	0	0	0	113.3	N466	N466-N468 PolarHBondContact O-N 2.99Å
469	E	29.7	Very low	30.6	Very low	178 Å²	178	127.7 Å²	127.7	83%	0.832	65%	0.65	S	S	*	*	S	Bend	trans	-139.2	51.9	-178.9	-68.4	-165.5	155.4	0	0	114.4	N466	N466-E469 PolarHBondContact O-N 3.15Å
470	I	28.8	Very low	31.1	Very low	151 Å²	151	127.4 Å²	127.4	77%	0.774	65%	0.653	S	S	*	*			trans	-128.3	117.1	148.6	-68	90	0	0	0	108.1
471	I	26.2	Very low	31.2	Very low	159 Å²	159	132.5 Å²	132.5	82%	0.815	67%	0.674	S	S	*	*			trans	-86.2	143.5	171.9	-69.3	171.3	0	0	0	108.6	E473	I471-E473 PolarHBondContact O-N 3.23Å; I471-E473 VanDerWaalsContact O-N 3.15Å
472	E	25.9	Very low	31.6	Very low	174 Å²	174	133.6 Å²	133.6	81%	0.813	69%	0.686	S	S	*	*			trans	-47.3	105.7	179.4	-61.7	158.6	-179.5	0	0	113.8
473	E	25.4	Very low	32.5	Very low	193 Å²	193	129.3 Å²	129.3	90%	0.902	67%	0.667	S	S	*	*			trans	-127.6	82.6	148.5	-75.8	-167.3	165.6	0	0	107.9	I471 E475	I471-E473 PolarHBondContact O-N 3.23Å; I471-E473 VanDerWaalsContact O-N 3.15Å; E473-E475 PolarHBondContact O-N 3Å
474	E	25.3	Very low	33.4	Very low	176 Å²	176	130.6 Å²	130.6	82%	0.822	68%	0.679	S	S	*	*			trans	-71.9	84.1	175.7	-64.9	-179	143.6	0	0	110.9	E476	E474-E476 PolarHBondContact O-N 2.85Å
475	E	25	Very low	34	Very low	188 Å²	188	130.8 Å²	130.8	88%	0.879	68%	0.68	S	S	*	*			trans	-84.4	96	149.9	-79.6	-160.4	144.7	0	0	108.2	E473 A477	E473-E475 PolarHBondContact O-N 3Å; E475-A477 PolarHBondContact O-N 3.16Å; E475-A477 VanDerWaalsContact O-N 3.09Å
476	E	26.5	Very low	35	Very low	176 Å²	176	125.4 Å²	125.4	82%	0.822	65%	0.652	S	S	*	*			trans	-49.1	115.4	176.1	-65.8	177.6	147.7	0	0	110.9	E474 S478	E474-E476 PolarHBondContact O-N 2.85Å; E476-S478 PolarHBondContact O-N 3.5Å
477	A	31.6	Very low	36	Very low	55 Å²	55	125 Å²	125	46%	0.455	65%	0.65	S	S	.	*			trans	-57	110.1	166.1	0	0	0	0	0	108	M382 E475 V479	M382-A477 HydrophobicContact CE-CB 3.55Å; M382-A477 HydrophobicContact SD-CB 4.49Å; E475-A477 PolarHBondContact O-N 3.16Å; E475-A477 VanDerWaalsContact O-N 3.09Å; A477-V479 PolarHBondContact O-N 3.37Å
478	S	34.5	Very low	37	Very low	84 Å²	84	122.8 Å²	122.8	59%	0.587	64%	0.636	S	S	*	*			trans	-74.5	72.4	-165.9	76.8	0	0	0	0	112.8	E476 D480	E476-S478 PolarHBondContact O-N 3.5Å; S478-D480 PolarHBondContact O-N 2.82Å
479	V	39	Very low	38	Very low	74 Å²	74	117.6 Å²	117.6	45%	0.448	61%	0.605	S	S	.	*			trans	-70.6	112.3	161.4	-177.9	0	0	0	0	106.4	A477 E481	A477-V479 PolarHBondContact O-N 3.37Å; V479-E481 PolarHBondContact O-N 2.94Å
480	D	40.9	Very low	38.9	Very low	95 Å²	95	110.2 Å²	110.2	51%	0.508	57%	0.572	S	S	.	*			trans	-70.5	96.2	179.6	-171.7	-2.7	0	0	0	109.4	S478 N482 K483	S478-D480 PolarHBondContact O-N 2.82Å; D480-N482 PolarHBondContact O-N 2.85Å; D480-K483 PolarHBondContact O-N 3.41Å
481	E	40.8	Very low	39.6	Very low	190 Å²	190	107.6 Å²	107.6	89%	0.888	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.6	-16.3	-174.4	-62.8	-167.1	133.8	0	0	114.2	V479	V479-E481 PolarHBondContact O-N 2.94Å
482	N	43.6	Very low	40.5	Very low	146 Å²	146	103.2 Å²	103.2	78%	0.781	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-5.6	179.4	-63.1	-70.2	0	0	0	114.4	D480	D480-N482 PolarHBondContact O-N 2.85Å
483	K	49.6	Very low	41.6	Very low	50 Å²	50	96.2 Å²	96.2	22%	0.217	51%	0.505	C	S	.	.	S	Bend	trans	-79.3	121.7	174.2	-73.6	-172.6	175.1	-172.5	0	110.2	D480 L485 Q641 Y644	D480-K483 PolarHBondContact O-N 3.41Å; K483-L485 PolarHBondContact O-N 3.05Å; K483-Q641 VanDerWaalsContact CE-OE1 3.3Å; K483-Y644 HydrophobicContact CB-CE2 4.41Å; K483-Y644 HydrophobicContact CD-CD2 4.3Å; K483-Y644 HydrophobicContact CD-CE1 4.48Å; K483-Y644 HydrophobicContact CD-CE2 4.18Å
484	P	51.9	Low	42.7	Very low	90 Å²	90	88.1 Å²	88.1	58%	0.584	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-64.2	128.8	172.3	27	-33.2	0	0	0	109.3	L486 Y644	P484-L486 PolarHBondContact O-N 3.13Å; P484-L486 VanDerWaalsContact O-N 3.13Å; P484-Y644 WeakPolarHBondContact CD-OH 3.34Å; P484-Y644 PolarHBondContact O-OH 3.19Å
485	L	48.1	Very low	44.1	Very low	117 Å²	117	85.7 Å²	85.7	61%	0.613	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-47.5	121.1	172.9	-72.2	159.8	0	0	0	109.6	K483 N487	K483-L485 PolarHBondContact O-N 3.05Å; L485-N487 PolarHBondContact O-N 2.96Å
486	L	52.9	Low	45.6	Very low	12 Å²	12	82.5 Å²	82.5	6%	0.063	44%	0.444	C	S	.	.	P	Polyproline II helix	trans	-66.9	130.6	168.9	-68.7	173.9	0	0	0	107.3	P484 A488 Y644 L647 K648 S651	P484-L486 PolarHBondContact O-N 3.13Å; P484-L486 VanDerWaalsContact O-N 3.13Å; L486-A488 PolarHBondContact O-N 3.06Å; L486-A488 VanDerWaalsContact O-N 3.12Å; L486-Y644 HydrophobicContact CD1-CD2 3.63Å; L486-Y644 HydrophobicContact CD1-CE2 3.61Å; L486-Y644 HydrophobicContact CD1-CG 4.38Å; L486-Y644 HydrophobicContact CD2-CE2 4.24Å; L486-Y644 HydrophobicContact CG-CD2 4.18Å; L486-Y644 HydrophobicContact CG-CE2 3.62Å; L486-L647 HydrophobicContact CD1-CB 3.85Å; L486-K648 HydrophobicContact CD2-CB 3.95Å; L486-K648 HydrophobicContact CD2-CG 4.2Å; L486-S651 VanDerWaalsContact CD2-OG 3.23Å; L486-S651 WeakPolarHBondContact CD2-OG 3.4Å
487	N	51.8	Low	47.4	Very low	88 Å²	88	74.2 Å²	74.2	47%	0.471	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-52.1	126.5	173.6	-68.7	14	0	0	0	108	L485 N492	L485-N487 PolarHBondContact O-N 2.96Å; N487-N492 PolarHBondContact ND2-OD1 3.38Å
488	A	50.1	Low	49	Very low	35 Å²	35	74 Å²	74	29%	0.289	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-48.2	147.6	177.4	0	0	0	0	0	110.4	L486 N490 H491	L486-A488 PolarHBondContact O-N 3.06Å; L486-A488 VanDerWaalsContact O-N 3.12Å; A488-N490 PolarHBondContact O-N 3.45Å; A488-H491 HydrophobicContact CB-CB 4.41Å; A488-H491 WeakPolarHBondContact O-CB 3.49Å; A488-H491 PolarHBondContact O-N 3.04Å
489	W	50.4	Low	50.6	Low	38 Å²	38	72.1 Å²	72.1	14%	0.144	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-44.5	130.3	-179	-162.6	43.7	0	0	0	110.5	G395 H491 Y511 D512 P609 F672	G395-W489 PolarHBondContact O-N 3.49Å; W489-H491 PolarHBondContact O-N 2.96Å; W489-Y511 WeakPolarHBondContact CH2-O 3.34Å; W489-D512 HydrophobicContact CE3-CB 4.29Å; W489-D512 HydrophobicContact CZ3-CB 4.19Å; W489-P609 HydrophobicContact CD2-CG 4.4Å; W489-P609 HydrophobicContact CE3-CG 4.11Å; W489-P609 HydrophobicContact CH2-CG 3.6Å; W489-P609 HydrophobicContact CZ2-CG 3.91Å; W489-P609 HydrophobicContact CZ3-CG 3.71Å; W489-F672 HydrophobicContact CZ2-CE2 4.06Å; W489-F672 AromaticContact CZ2-CZ 3.95Å; W489-F672 HydrophobicContact CZ2-CZ 3.95Å; W489-F672 AromaticContact NE1-CZ 3.96Å
490	N	47.9	Very low	52.3	Low	24 Å²	24	71.7 Å²	71.7	13%	0.128	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.2	6.3	-174.5	-90.7	-37.7	0	0	0	118.8	A488 N492 S493 I494 D508	A488-N490 PolarHBondContact O-N 3.45Å; N490-N492 VanDerWaalsContact C-N 3.27Å; N490-N492 PolarHBondContact O-N 3.28Å; N490-N492 VanDerWaalsContact O-N 3.11Å; N490-S493 CarbonylContact O-C 3.53Å; N490-S493 VanDerWaalsContact O-CA 3.28Å; N490-S493 WeakPolarHBondContact O-CA 3.16Å; N490-S493 WeakPolarHBondContact O-CB 3.39Å; N490-S493 PolarHBondContact O-N 3Å; N490-S493 WeakPolarHBondContact OD1-CB 3.48Å; N490-S493 PolarHBondContact OD1-OG 3.28Å; N490-I494 HydrophobicContact CB-CD1 4.25Å; N490-I494 HydrophobicContact CB-CG1 4.34Å; N490-I494 WeakPolarHBondContact O-CG1 3.33Å; N490-I494 PolarHBondContact O-N 2.79Å; N490-D508 PolarHBondContact ND2-O 3.25Å
491	H	43.4	Very low	54	Low	96 Å²	96	71.3 Å²	71.3	44%	0.444	38%	0.379	S	S	.	.	H	α-helix	trans	-56.8	-35.9	-176.9	-110.4	14.6	0	0	0	114.6	A488 W489 S493 I494 Q495	A488-H491 HydrophobicContact CB-CB 4.41Å; A488-H491 WeakPolarHBondContact O-CB 3.49Å; A488-H491 PolarHBondContact O-N 3.04Å; W489-H491 PolarHBondContact O-N 2.96Å; H491-S493 VanDerWaalsContact C-N 3.29Å; H491-S493 PolarHBondContact O-N 2.72Å; H491-I494 PolarHBondContact O-N 3.39Å; H491-Q495 PolarHBondContact O-N 2.91Å; H491-Q495 VanDerWaalsContact O-N 3.17Å
492	N	45.3	Very low	55.9	Low	66 Å²	66	62.5 Å²	62.5	35%	0.353	34%	0.338	S	S	.	.	H	α-helix	trans	-66.3	-32.9	173.8	-68.6	-1.4	0	0	0	112.2	N487 N490 S654	N487-N492 PolarHBondContact ND2-OD1 3.38Å; N490-N492 VanDerWaalsContact C-N 3.27Å; N490-N492 PolarHBondContact O-N 3.28Å; N490-N492 VanDerWaalsContact O-N 3.11Å; N492-S654 PolarHBondContact ND2-OG 3.31Å
493	S	49.2	Very low	57.4	Low	28 Å²	28	62.7 Å²	62.7	20%	0.196	33%	0.332	C	S	.	.	H	α-helix	trans	-72.1	-48.3	173	-40.8	0	0	0	0	110.4	N490 H491 Q495 L496 I497 C509	N490-S493 CarbonylContact O-C 3.53Å; N490-S493 VanDerWaalsContact O-CA 3.28Å; N490-S493 WeakPolarHBondContact O-CA 3.16Å; N490-S493 WeakPolarHBondContact O-CB 3.39Å; N490-S493 PolarHBondContact O-N 3Å; N490-S493 WeakPolarHBondContact OD1-CB 3.48Å; N490-S493 PolarHBondContact OD1-OG 3.28Å; H491-S493 VanDerWaalsContact C-N 3.29Å; H491-S493 PolarHBondContact O-N 2.72Å; S493-Q495 VanDerWaalsContact C-N 3.31Å; S493-Q495 PolarHBondContact O-N 3.34Å; S493-L496 WeakPolarHBondContact O-CA 3.31Å; S493-L496 VanDerWaalsContact O-CB 3.29Å; S493-L496 WeakPolarHBondContact O-CB 3.19Å; S493-L496 PolarHBondContact O-N 2.96Å; S493-I497 WeakPolarHBondContact O-CG1 3.2Å; S493-I497 PolarHBondContact O-N 2.91Å; S493-C509 VanDerWaalsContact CB-SG 3.59Å
494	I	50	Low	58.7	Low	22 Å²	22	65.1 Å²	65.1	11%	0.113	35%	0.347	C	S	.	.	H	α-helix	trans	-51.9	-45.9	-180	-70.9	164.3	0	0	0	111.3	N490 H491 L496 I497 N498 Y515	N490-I494 HydrophobicContact CB-CD1 4.25Å; N490-I494 HydrophobicContact CB-CG1 4.34Å; N490-I494 WeakPolarHBondContact O-CG1 3.33Å; N490-I494 PolarHBondContact O-N 2.79Å; H491-I494 PolarHBondContact O-N 3.39Å; I494-L496 PolarHBondContact O-N 3.34Å; I494-I497 HydrophobicContact CG1-CD1 4.41Å; I494-I497 PolarHBondContact O-N 3.41Å; I494-I497 VanDerWaalsContact O-N 3.13Å; I494-N498 PolarHBondContact O-N 2.99Å; I494-N498 PolarHBondContact O-OD1 3.41Å; I494-Y515 HydrophobicContact CB-CE2 4.44Å; I494-Y515 HydrophobicContact CD1-CD2 3.99Å; I494-Y515 HydrophobicContact CD1-CE2 4.46Å; I494-Y515 HydrophobicContact CD1-CG 4.2Å; I494-Y515 HydrophobicContact CG1-CD1 4.33Å; I494-Y515 HydrophobicContact CG1-CD2 4.05Å; I494-Y515 HydrophobicContact CG1-CE1 4.42Å; I494-Y515 HydrophobicContact CG1-CE2 4.14Å; I494-Y515 HydrophobicContact CG1-CG 4.15Å; I494-Y515 HydrophobicContact CG2-CD2 4.17Å; I494-Y515 HydrophobicContact CG2-CE2 3.54Å
495	Q	52.8	Low	59.9	Low	126 Å²	126	61.4 Å²	61.4	59%	0.589	32%	0.321	S	S	*	.	H	α-helix	trans	-65.4	-8.2	176.2	-69.1	-170.3	13.3	0	0	115.8	H491 S493 K572	H491-Q495 PolarHBondContact O-N 2.91Å; H491-Q495 VanDerWaalsContact O-N 3.17Å; S493-Q495 VanDerWaalsContact C-N 3.31Å; S493-Q495 PolarHBondContact O-N 3.34Å; Q495-K572 PolarHBondContact O-NZ 3.24Å
496	L	57.3	Low	60.8	Low	121 Å²	121	58.4 Å²	58.4	63%	0.634	31%	0.309	S	S	*	.	H	α-helix	trans	-99.1	-33.9	172.4	-65.6	161.7	0	0	0	111.9	S493 I494	S493-L496 WeakPolarHBondContact O-CA 3.31Å; S493-L496 VanDerWaalsContact O-CB 3.29Å; S493-L496 WeakPolarHBondContact O-CB 3.19Å; S493-L496 PolarHBondContact O-N 2.96Å; I494-L496 PolarHBondContact O-N 3.34Å
497	I	65.1	Low	61.4	Low	1 Å²	1	64 Å²	64	1%	0.005	34%	0.338	C	S	.	.	H	α-helix	trans	-84.5	-16.1	-175.2	19.6	161.7	0	0	0	115.5	S493 I494 G499 L500 W505 P506 C509 Y515	S493-I497 WeakPolarHBondContact O-CG1 3.2Å; S493-I497 PolarHBondContact O-N 2.91Å; I494-I497 HydrophobicContact CG1-CD1 4.41Å; I494-I497 PolarHBondContact O-N 3.41Å; I494-I497 VanDerWaalsContact O-N 3.13Å; I497-G499 PolarHBondContact O-N 3.17Å; I497-L500 HydrophobicContact CG2-CB 4.17Å; I497-L500 HydrophobicContact CG2-CD1 3.8Å; I497-L500 HydrophobicContact CG2-CG 4.5Å; I497-L500 PolarHBondContact O-N 3.16Å; I497-W505 HydrophobicContact CB-CD2 4.41Å; I497-W505 HydrophobicContact CB-CG 4.32Å; I497-W505 HydrophobicContact CD1-CD2 4.18Å; I497-W505 HydrophobicContact CD1-CE3 4.25Å; I497-W505 HydrophobicContact CG2-CB 3.93Å; I497-W505 HydrophobicContact CG2-CD2 4.04Å; I497-W505 HydrophobicContact CG2-CG 3.47Å; I497-W505 VanDerWaalsContact CG2-CG 3.47Å; I497-P506 VanDerWaalsContact CG2-CD 3.48Å; I497-C509 HydrophobicContact CD1-CB 3.82Å; I497-C509 WeakPolarHBondContact CD1-SG 3.46Å; I497-Y515 HydrophobicContact CD1-CD1 4.25Å; I497-Y515 HydrophobicContact CD1-CE1 3.77Å
498	N	64.6	Low	61.9	Low	52 Å²	52	62.1 Å²	62.1	28%	0.278	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-32.4	172.6	-86.6	38.4	0	0	0	113.9	I494 Y515 N574 W575	I494-N498 PolarHBondContact O-N 2.99Å; I494-N498 PolarHBondContact O-OD1 3.41Å; N498-Y515 PolarHBondContact OD1-OH 3.22Å; N498-N574 WeakPolarHBondContact CB-OD1 3.38Å; N498-N574 PolarHBondContact ND2-OD1 2.75Å; N498-N574 WeakPolarHBondContact O-CA 3.17Å; N498-W575 PolarHBondContact O-N 3.4Å
499	G	67.1	Low	62.7	Low	44 Å²	44	60.6 Å²	60.6	45%	0.454	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	4.1	177.9	0	0	0	0	0	115.7	I497	I497-G499 PolarHBondContact O-N 3.17Å
500	L	75.5	Confident	63.6	Low	64 Å²	64	60.8 Å²	60.8	34%	0.335	32%	0.316	S	S	.	.	S	Bend	trans	-113.5	156.2	-174.9	-65.2	176.6	0	0	0	111.7	I497 D504 R519	I497-L500 HydrophobicContact CG2-CB 4.17Å; I497-L500 HydrophobicContact CG2-CD1 3.8Å; I497-L500 HydrophobicContact CG2-CG 4.5Å; I497-L500 PolarHBondContact O-N 3.16Å; L500-D504 HydrophobicContact CB-CB 4.33Å; L500-D504 HydrophobicContact CD2-CB 4.4Å; L500-R519 PolarHBondContact O-NH2 3.26Å
501	K	76.5	Confident	64.6	Low	88 Å²	88	63.2 Å²	63.2	38%	0.383	32%	0.324	S	S	.	.			trans	-77.5	151.7	166.7	-65.9	-169.4	173.9	-157.5	0	109.8	K503 D504 W575 E587	K501-K503 PolarHBondContact O-N 3.18Å; K501-K503 VanDerWaalsContact O-N 3.1Å; K501-D504 WeakPolarHBondContact O-CA 3.2Å; K501-D504 WeakPolarHBondContact O-CB 3.49Å; K501-D504 PolarHBondContact O-N 2.77Å; K501-W575 HydrophobicContact CD-CZ2 4.28Å; K501-W575 HydrophobicContact CG-CD2 4.39Å; K501-W575 HydrophobicContact CG-CZ2 4.04Å; K501-E587 VanDerWaalsContact CA-OE1 3.24Å; K501-E587 WeakPolarHBondContact CA-OE1 2.87Å
502	F	79.9	Confident	65.9	Low	4 Å²	4	59.4 Å²	59.4	2%	0.018	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-47.4	-42.7	-179.9	-177	-115.1	0	0	0	113.7	D504 W505 Y510 I516 E587 I591 W594	F502-D504 PolarHBondContact O-N 3.09Å; F502-W505 AromaticContact CD2-CD2 3.8Å; F502-W505 HydrophobicContact CD2-CD2 3.8Å; F502-W505 AromaticContact CD2-CE3 3.71Å; F502-W505 HydrophobicContact CD2-CE3 3.71Å; F502-W505 HydrophobicContact CD2-CG 4.46Å; F502-W505 HydrophobicContact CD2-CH2 4.05Å; F502-W505 HydrophobicContact CD2-CZ2 4.15Å; F502-W505 AromaticContact CD2-CZ3 3.85Å; F502-W505 HydrophobicContact CD2-CZ3 3.85Å; F502-W505 HydrophobicContact CE2-CD2 4.37Å; F502-W505 AromaticContact CE2-CE3 3.85Å; F502-W505 HydrophobicContact CE2-CE3 3.85Å; F502-W505 HydrophobicContact CE2-CH2 4.45Å; F502-W505 AromaticContact CE2-CZ3 3.9Å; F502-W505 HydrophobicContact CE2-CZ3 3.9Å; F502-W505 VanDerWaalsContact O-CB 3.25Å; F502-W505 WeakPolarHBondContact O-CB 3.41Å; F502-W505 VanDerWaalsContact O-CG 3.23Å; F502-W505 PolarHBondContact O-N 3.48Å; F502-W505 VanDerWaalsContact O-N 3.16Å; F502-Y510 AromaticContact CE1-CE1 3.98Å; F502-Y510 HydrophobicContact CE1-CE1 3.98Å; F502-Y510 HydrophobicContact CE2-CD1 4.14Å; F502-Y510 AromaticContact CE2-CE1 3.87Å; F502-Y510 HydrophobicContact CE2-CE1 3.87Å; F502-Y510 AromaticContact CZ-CD1 3.88Å; F502-Y510 HydrophobicContact CZ-CD1 3.88Å; F502-Y510 AromaticContact CZ-CE1 3.57Å; F502-Y510 HydrophobicContact CZ-CE1 3.57Å; F502-Y510 PolarHBondContact O-OH 2.87Å; F502-I516 HydrophobicContact CE2-CG1 4.19Å; F502-I516 HydrophobicContact CE2-CG2 4.22Å; F502-I516 HydrophobicContact CZ-CG2 4.46Å; F502-E587 HydrophobicContact CB-CG 3.85Å; F502-E587 PolarHBondContact N-OE1 3.11Å; F502-I591 HydrophobicContact CB-CG1 4.37Å; F502-I591 HydrophobicContact CD1-CG1 3.68Å; F502-I591 HydrophobicContact CD2-CD1 4.39Å; F502-I591 HydrophobicContact CD2-CG1 3.88Å; F502-I591 HydrophobicContact CE1-CB 4.39Å; F502-I591 HydrophobicContact CE1-CG1 3.85Å; F502-I591 HydrophobicContact CE2-CG1 4.04Å; F502-I591 HydrophobicContact CG-CD1 4.42Å; F502-I591 HydrophobicContact CG-CG1 3.7Å; F502-I591 HydrophobicContact CZ-CG1 4.02Å; F502-W594 HydrophobicContact CE1-CB 3.65Å; F502-W594 HydrophobicContact CE1-CD2 4.14Å; F502-W594 HydrophobicContact CE1-CE3 4.42Å; F502-W594 AromaticContact CE1-CG 3.79Å; F502-W594 HydrophobicContact CE1-CG 3.79Å; F502-W594 HydrophobicContact CZ-CB 4.17Å; F502-W594 AromaticContact CZ-CD2 3.73Å; F502-W594 HydrophobicContact CZ-CD2 3.73Å; F502-W594 AromaticContact CZ-CE3 3.78Å; F502-W594 HydrophobicContact CZ-CE3 3.78Å; F502-W594 AromaticContact CZ-CG 3.88Å; F502-W594 HydrophobicContact CZ-CG 3.88Å; F502-W594 HydrophobicContact CZ-CZ3 4.47Å
503	K	75.6	Confident	67.2	Low	150 Å²	150	56.7 Å²	56.7	65%	0.652	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-64.8	-23.4	178.6	-64.3	-176.5	179.4	174.6	0	114.7	K501 W505	K501-K503 PolarHBondContact O-N 3.18Å; K501-K503 VanDerWaalsContact O-N 3.1Å; K503-W505 VanDerWaalsContact C-N 3.33Å
504	D	77.5	Confident	68.3	Low	102 Å²	102	56.9 Å²	56.9	55%	0.545	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-92.4	5	-179.6	-54.9	-46.4	0	0	0	112	L500 K501 F502	L500-D504 HydrophobicContact CB-CB 4.33Å; L500-D504 HydrophobicContact CD2-CB 4.4Å; K501-D504 WeakPolarHBondContact O-CA 3.2Å; K501-D504 WeakPolarHBondContact O-CB 3.49Å; K501-D504 PolarHBondContact O-N 2.77Å; F502-D504 PolarHBondContact O-N 3.09Å
505	W	76.5	Confident	69.4	Low	11 Å²	11	57.2 Å²	57.2	4%	0.042	29%	0.291	C	S	.	.	S	Bend	trans	-68.5	142.6	-178.8	-73.1	16.4	0	0	0	112.2	I497 F502 K503 C509 Y510 Y515 I516 R519	I497-W505 HydrophobicContact CB-CD2 4.41Å; I497-W505 HydrophobicContact CB-CG 4.32Å; I497-W505 HydrophobicContact CD1-CD2 4.18Å; I497-W505 HydrophobicContact CD1-CE3 4.25Å; I497-W505 HydrophobicContact CG2-CB 3.93Å; I497-W505 HydrophobicContact CG2-CD2 4.04Å; I497-W505 HydrophobicContact CG2-CG 3.47Å; I497-W505 VanDerWaalsContact CG2-CG 3.47Å; F502-W505 AromaticContact CD2-CD2 3.8Å; F502-W505 HydrophobicContact CD2-CD2 3.8Å; F502-W505 AromaticContact CD2-CE3 3.71Å; F502-W505 HydrophobicContact CD2-CE3 3.71Å; F502-W505 HydrophobicContact CD2-CG 4.46Å; F502-W505 HydrophobicContact CD2-CH2 4.05Å; F502-W505 HydrophobicContact CD2-CZ2 4.15Å; F502-W505 AromaticContact CD2-CZ3 3.85Å; F502-W505 HydrophobicContact CD2-CZ3 3.85Å; F502-W505 HydrophobicContact CE2-CD2 4.37Å; F502-W505 AromaticContact CE2-CE3 3.85Å; F502-W505 HydrophobicContact CE2-CE3 3.85Å; F502-W505 HydrophobicContact CE2-CH2 4.45Å; F502-W505 AromaticContact CE2-CZ3 3.9Å; F502-W505 HydrophobicContact CE2-CZ3 3.9Å; F502-W505 VanDerWaalsContact O-CB 3.25Å; F502-W505 WeakPolarHBondContact O-CB 3.41Å; F502-W505 VanDerWaalsContact O-CG 3.23Å; F502-W505 PolarHBondContact O-N 3.48Å; F502-W505 VanDerWaalsContact O-N 3.16Å; K503-W505 VanDerWaalsContact C-N 3.33Å; W505-C509 HydrophobicContact CB-CB 4.4Å; W505-C509 HydrophobicContact CE3-CB 4.07Å; W505-Y510 HydrophobicContact CB-CE2 4.08Å; W505-Y510 WeakPolarHBondContact O-CE2 3.35Å; W505-Y515 AromaticContact CH2-CD1 3.46Å; W505-Y515 HydrophobicContact CH2-CD1 3.46Å; W505-Y515 VanDerWaalsContact CH2-CD1 3.46Å; W505-Y515 AromaticContact CH2-CE1 3.29Å; W505-Y515 HydrophobicContact CH2-CE1 3.29Å; W505-Y515 HydrophobicContact CZ2-CD1 4.33Å; W505-Y515 AromaticContact CZ2-CE1 3.71Å; W505-Y515 HydrophobicContact CZ2-CE1 3.71Å; W505-Y515 AromaticContact CZ3-CD1 3.67Å; W505-Y515 HydrophobicContact CZ3-CD1 3.67Å; W505-Y515 AromaticContact CZ3-CE1 3.87Å; W505-Y515 HydrophobicContact CZ3-CE1 3.87Å; W505-I516 HydrophobicContact CZ3-CG1 3.83Å; W505-R519 HydrophobicContact CH2-CB 3.89Å; W505-R519 HydrophobicContact CH2-CG 4.04Å; W505-R519 HydrophobicContact CZ2-CB 4.22Å; W505-R519 HydrophobicContact CZ2-CG 3.9Å
506	P	68.1	Low	70.7	Confident	55 Å²	55	51.2 Å²	51.2	36%	0.357	26%	0.263	S	S	.	.			trans	-57.1	145.9	170.4	-23.2	32.6	0	0	0	112.2	I497 D508 C509	I497-P506 VanDerWaalsContact CG2-CD 3.48Å; P506-D508 PolarHBondContact O-N 3.01Å; P506-D508 VanDerWaalsContact O-N 3.13Å; P506-C509 WeakPolarHBondContact O-CB 3.34Å; P506-C509 PolarHBondContact O-N 3.38Å
507	I	65.1	Low	71.7	Confident	129 Å²	129	46 Å²	46	66%	0.662	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-54.4	-38.1	-176.7	-62.7	175.4	0	0	0	111.9	C509 Y510	I507-C509 PolarHBondContact O-N 3.03Å; I507-Y510 PolarHBondContact O-N 2.87Å
508	D	61.4	Low	72.3	Confident	49 Å²	49	50.9 Å²	50.9	26%	0.262	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-64.4	-21.6	179.3	-58.4	-68.7	0	0	0	114.1	N490 P506 S666 F667	N490-D508 PolarHBondContact ND2-O 3.25Å; P506-D508 PolarHBondContact O-N 3.01Å; P506-D508 VanDerWaalsContact O-N 3.13Å; D508-S666 VanDerWaalsContact OD1-CA 3.27Å; D508-S666 WeakPolarHBondContact OD1-CA 3.48Å; D508-F667 PolarHBondContact OD1-N 3.39Å
509	C	67.1	Low	73.1	Confident	2 Å²	2	48.5 Å²	48.5	1%	0.014	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-77	-23.6	-179.1	-58.2	0	0	0	0	112.4	S493 I497 W505 P506 I507 Y511 D512	S493-C509 VanDerWaalsContact CB-SG 3.59Å; I497-C509 HydrophobicContact CD1-CB 3.82Å; I497-C509 WeakPolarHBondContact CD1-SG 3.46Å; W505-C509 HydrophobicContact CB-CB 4.4Å; W505-C509 HydrophobicContact CE3-CB 4.07Å; P506-C509 WeakPolarHBondContact O-CB 3.34Å; P506-C509 PolarHBondContact O-N 3.38Å; I507-C509 PolarHBondContact O-N 3.03Å; C509-Y511 PolarHBondContact O-N 3.47Å; C509-D512 PolarHBondContact O-N 3.39Å
510	Y	69.5	Low	73.8	Confident	43 Å²	43	46.4 Å²	46.4	17%	0.169	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-71.7	-8.1	-180	-70.1	-79.3	0	0	0	114.2	F502 W505 I507 W594	F502-Y510 AromaticContact CE1-CE1 3.98Å; F502-Y510 HydrophobicContact CE1-CE1 3.98Å; F502-Y510 HydrophobicContact CE2-CD1 4.14Å; F502-Y510 AromaticContact CE2-CE1 3.87Å; F502-Y510 HydrophobicContact CE2-CE1 3.87Å; F502-Y510 AromaticContact CZ-CD1 3.88Å; F502-Y510 HydrophobicContact CZ-CD1 3.88Å; F502-Y510 AromaticContact CZ-CE1 3.57Å; F502-Y510 HydrophobicContact CZ-CE1 3.57Å; F502-Y510 PolarHBondContact O-OH 2.87Å; W505-Y510 HydrophobicContact CB-CE2 4.08Å; W505-Y510 WeakPolarHBondContact O-CE2 3.35Å; I507-Y510 PolarHBondContact O-N 2.87Å; Y510-W594 HydrophobicContact CD1-CD2 4.19Å; Y510-W594 AromaticContact CD1-CE2 3.48Å; Y510-W594 VanDerWaalsContact CD1-CE2 3.48Å; Y510-W594 HydrophobicContact CD1-CH2 4.44Å; Y510-W594 AromaticContact CD1-CZ2 3.66Å; Y510-W594 HydrophobicContact CD1-CZ2 3.66Å; Y510-W594 AromaticContact CD1-NE1 3.43Å; Y510-W594 AromaticContact CE1-NE1 3.82Å; Y510-W594 HydrophobicContact CG-CZ2 4.15Å; Y510-W594 VanDerWaalsContact O-CH2 3.31Å; Y510-W594 WeakPolarHBondContact O-CH2 3.48Å; Y510-W594 WeakPolarHBondContact O-CZ2 3.39Å
511	Y	68.4	Low	74.1	Confident	75 Å²	75	44.2 Å²	44.2	29%	0.294	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-86.1	-20.3	174.6	-68.8	-80.1	0	0	0	113.3	W489 C509 L513 H605 S606	W489-Y511 WeakPolarHBondContact CH2-O 3.34Å; C509-Y511 PolarHBondContact O-N 3.47Å; Y511-L513 PolarHBondContact O-N 3.35Å; Y511-H605 HydrophobicContact CD1-CB 4.38Å; Y511-H605 HydrophobicContact CE1-CB 4.28Å; Y511-S606 VanDerWaalsContact O-CB 3.25Å; Y511-S606 WeakPolarHBondContact O-CB 3.47Å; Y511-S606 PolarHBondContact O-OG 2.84Å
512	D	71.5	Confident	74.3	Confident	16 Å²	16	42.4 Å²	42.4	9%	0.086	21%	0.205	C	C	.	.			trans	-85.2	88.6	179.5	-172.9	-17.4	0	0	0	110.7	W489 C509 D514 Y515 I516	W489-D512 HydrophobicContact CE3-CB 4.29Å; W489-D512 HydrophobicContact CZ3-CB 4.19Å; C509-D512 PolarHBondContact O-N 3.39Å; D512-D514 VanDerWaalsContact C-N 3.28Å; D512-D514 PolarHBondContact O-N 3.23Å; D512-D514 PolarHBondContact OD1-N 3.23Å; D512-Y515 PolarHBondContact OD1-N 2.89Å; D512-I516 WeakPolarHBondContact O-CD1 3.47Å; D512-I516 WeakPolarHBondContact O-CG1 3.47Å; D512-I516 PolarHBondContact O-N 3.36Å
513	L	72.6	Confident	74.6	Confident	8 Å²	8	42.2 Å²	42.2	4%	0.042	20%	0.204	C	C	.	.	H	α-helix	trans	-64.4	-31.4	178.8	-80.1	171.2	0	0	0	112.8	I403 Y511 I516 L517 L595	I403-L513 HydrophobicContact CD1-CB 3.82Å; I403-L513 HydrophobicContact CD1-CD1 4.18Å; I403-L513 HydrophobicContact CG1-CB 3.75Å; I403-L513 HydrophobicContact CG2-CB 4.15Å; I403-L513 HydrophobicContact CG2-CD1 4.23Å; Y511-L513 PolarHBondContact O-N 3.35Å; L513-I516 PolarHBondContact O-N 2.9Å; L513-L517 WeakPolarHBondContact O-CG 3.21Å; L513-L517 PolarHBondContact O-N 2.9Å; L513-L595 HydrophobicContact CD2-CD2 3.97Å
514	D	71.7	Confident	74.9	Confident	33 Å²	33	35.1 Å²	35.1	18%	0.176	17%	0.173	C	C	.	.	H	α-helix	trans	-65.3	-46.4	179.9	-85	-17.6	0	0	0	110.8	S401 I403 D512 I516 L517 H518 H610	S401-D514 VanDerWaalsContact CB-CG 3.45Å; S401-D514 WeakPolarHBondContact CB-OD1 3.16Å; S401-D514 WeakPolarHBondContact CB-OD2 3.48Å; S401-D514 PolarHBondContact OG-OD1 3.24Å; S401-D514 PolarHBondContact OG-OD2 2.77Å; I403-D514 VanDerWaalsContact CB-OD1 3.29Å; I403-D514 WeakPolarHBondContact CB-OD1 2.96Å; I403-D514 WeakPolarHBondContact CG1-OD1 3.25Å; D512-D514 VanDerWaalsContact C-N 3.28Å; D512-D514 PolarHBondContact O-N 3.23Å; D512-D514 PolarHBondContact OD1-N 3.23Å; D514-I516 PolarHBondContact O-N 3.15Å; D514-L517 PolarHBondContact O-N 2.99Å; D514-H518 PolarHBondContact O-N 2.91Å; D514-H610 IonicContact OD2-CE1 3.61Å; D514-H610 PolarHBondContact OD2-CE1 3.37Å; D514-H610 VanDerWaalsContact OD2-CE1 3.29Å; D514-H610 IonicContact OD2-NE2 2.97Å
515	Y	72.9	Confident	75.1	Confident	28 Å²	28	33.8 Å²	33.8	11%	0.11	17%	0.166	C	C	.	.	H	α-helix	trans	-68.3	-33.4	177.6	-171.5	-101.7	0	0	0	112.8	I494 I497 N498 W505 D512 H518 R519	I494-Y515 HydrophobicContact CB-CE2 4.44Å; I494-Y515 HydrophobicContact CD1-CD2 3.99Å; I494-Y515 HydrophobicContact CD1-CE2 4.46Å; I494-Y515 HydrophobicContact CD1-CG 4.2Å; I494-Y515 HydrophobicContact CG1-CD1 4.33Å; I494-Y515 HydrophobicContact CG1-CD2 4.05Å; I494-Y515 HydrophobicContact CG1-CE1 4.42Å; I494-Y515 HydrophobicContact CG1-CE2 4.14Å; I494-Y515 HydrophobicContact CG1-CG 4.15Å; I494-Y515 HydrophobicContact CG2-CD2 4.17Å; I494-Y515 HydrophobicContact CG2-CE2 3.54Å; I497-Y515 HydrophobicContact CD1-CD1 4.25Å; I497-Y515 HydrophobicContact CD1-CE1 3.77Å; N498-Y515 PolarHBondContact OD1-OH 3.22Å; W505-Y515 AromaticContact CH2-CD1 3.46Å; W505-Y515 HydrophobicContact CH2-CD1 3.46Å; W505-Y515 VanDerWaalsContact CH2-CD1 3.46Å; W505-Y515 AromaticContact CH2-CE1 3.29Å; W505-Y515 HydrophobicContact CH2-CE1 3.29Å; W505-Y515 HydrophobicContact CZ2-CD1 4.33Å; W505-Y515 AromaticContact CZ2-CE1 3.71Å; W505-Y515 HydrophobicContact CZ2-CE1 3.71Å; W505-Y515 AromaticContact CZ3-CD1 3.67Å; W505-Y515 HydrophobicContact CZ3-CD1 3.67Å; W505-Y515 AromaticContact CZ3-CE1 3.87Å; W505-Y515 HydrophobicContact CZ3-CE1 3.87Å; D512-Y515 PolarHBondContact OD1-N 2.89Å; Y515-H518 WeakPolarHBondContact O-CB 3.19Å; Y515-H518 PolarHBondContact O-N 2.85Å; Y515-R519 PolarHBondContact O-N 3.33Å
516	I	80.3	Confident	75.3	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-66.2	-43.1	174.9	-65	167.1	0	0	0	111	F502 W505 D512 L513 D514 H518 R519 F520 I591 W594	F502-I516 HydrophobicContact CE2-CG1 4.19Å; F502-I516 HydrophobicContact CE2-CG2 4.22Å; F502-I516 HydrophobicContact CZ-CG2 4.46Å; W505-I516 HydrophobicContact CZ3-CG1 3.83Å; D512-I516 WeakPolarHBondContact O-CD1 3.47Å; D512-I516 WeakPolarHBondContact O-CG1 3.47Å; D512-I516 PolarHBondContact O-N 3.36Å; L513-I516 PolarHBondContact O-N 2.9Å; D514-I516 PolarHBondContact O-N 3.15Å; I516-H518 VanDerWaalsContact C-N 3.34Å; I516-R519 PolarHBondContact O-N 3.12Å; I516-F520 WeakPolarHBondContact O-CB 3.46Å; I516-F520 PolarHBondContact O-N 3.5Å; I516-I591 HydrophobicContact CG2-CG2 3.57Å; I516-W594 HydrophobicContact CD1-CH2 3.42Å; I516-W594 VanDerWaalsContact CD1-CH2 3.42Å; I516-W594 HydrophobicContact CD1-CZ2 4.33Å; I516-W594 HydrophobicContact CD1-CZ3 3.54Å; I516-W594 HydrophobicContact CG2-CE3 4.5Å; I516-W594 HydrophobicContact CG2-CZ3 4.08Å
517	L	78.7	Confident	75.9	Confident	12 Å²	12	32.2 Å²	32.2	6%	0.063	15%	0.154	C	C	.	.	H	α-helix	trans	-66.8	-34.3	174	-70.4	-172.9	0	0	0	112.3	L402 I403 L439 L449 L513 D514 F520 N521	L402-L517 HydrophobicContact CD2-CD1 4.39Å; I403-L517 HydrophobicContact CD1-CD1 3.65Å; I403-L517 HydrophobicContact CG1-CD1 4.05Å; L439-L517 HydrophobicContact CD1-CD2 3.83Å; L439-L517 HydrophobicContact CD2-CD2 3.92Å; L449-L517 HydrophobicContact CD1-CB 4Å; L449-L517 HydrophobicContact CD1-CD1 4.4Å; L449-L517 HydrophobicContact CD1-CD2 4.21Å; L449-L517 HydrophobicContact CD1-CG 4.44Å; L513-L517 WeakPolarHBondContact O-CG 3.21Å; L513-L517 PolarHBondContact O-N 2.9Å; D514-L517 PolarHBondContact O-N 2.99Å; L517-F520 PolarHBondContact O-N 2.93Å; L517-N521 WeakPolarHBondContact O-CB 3.28Å; L517-N521 PolarHBondContact O-N 3.4Å
518	H	77.3	Confident	76.6	Confident	103 Å²	103	31.2 Å²	31.2	48%	0.477	14%	0.142	S	C	.	.	H	α-helix	trans	-61.1	-50	171.8	-170	-78.3	0	0	0	111.2	D514 Y515 I516 F520 N521 E522	D514-H518 PolarHBondContact O-N 2.91Å; Y515-H518 WeakPolarHBondContact O-CB 3.19Å; Y515-H518 PolarHBondContact O-N 2.85Å; I516-H518 VanDerWaalsContact C-N 3.34Å; H518-F520 VanDerWaalsContact C-N 3.34Å; H518-F520 PolarHBondContact O-N 2.99Å; H518-N521 WeakPolarHBondContact O-CA 3.48Å; H518-N521 WeakPolarHBondContact O-CB 3.26Å; H518-N521 PolarHBondContact O-N 3.01Å; H518-E522 IonicContact CE1-OE1 3.3Å; H518-E522 PolarHBondContact CE1-OE1 3.26Å; H518-E522 VanDerWaalsContact CE1-OE1 3.3Å; H518-E522 IonicContact ND1-OE1 3.35Å; H518-E522 IonicContact ND1-OE2 3.6Å; H518-E522 PolarHBondContact O-N 3.27Å
519	R	80.9	Confident	77.1	Confident	2 Å²	2	34.4 Å²	34.4	1%	0.008	16%	0.155	C	C	.	.	H	α-helix	trans	-60.7	-41.8	177.6	-179.6	54.2	166.8	-113.6	-16.1	112.2	L500 W505 Y515 I516 N521 E522 C523 E587 I591	L500-R519 PolarHBondContact O-NH2 3.26Å; W505-R519 HydrophobicContact CH2-CB 3.89Å; W505-R519 HydrophobicContact CH2-CG 4.04Å; W505-R519 HydrophobicContact CZ2-CB 4.22Å; W505-R519 HydrophobicContact CZ2-CG 3.9Å; Y515-R519 PolarHBondContact O-N 3.33Å; I516-R519 PolarHBondContact O-N 3.12Å; R519-N521 VanDerWaalsContact C-N 3.29Å; R519-N521 PolarHBondContact O-N 2.86Å; R519-E522 PolarHBondContact O-N 3.48Å; R519-C523 PolarHBondContact O-N 3.43Å; R519-C523 PolarHBondContact O-SG 2.92Å; R519-E587 IonicContact CZ-OE1 3.9Å; R519-E587 IonicContact CZ-OE2 3.18Å; R519-E587 IonicContact NE-OE1 3.98Å; R519-E587 IonicContact NE-OE2 2.73Å; R519-E587 PolarHBondContact NE-OE2 3.49Å; R519-E587 VanDerWaalsContact NH2-CD 3.29Å; R519-E587 IonicContact NH2-OE1 2.99Å; R519-E587 PolarHBondContact NH2-OE1 2.86Å; R519-E587 IonicContact NH2-OE2 2.81Å; R519-E587 PolarHBondContact NH2-OE2 3.12Å; R519-I591 HydrophobicContact CB-CD1 4.45Å; R519-I591 HydrophobicContact CG-CD1 4.04Å
520	F	83.2	Confident	76.7	Confident	1 Å²	1	35.9 Å²	35.9	0%	0.004	17%	0.165	C	C	.	.	H	α-helix	trans	-57.5	-42.2	172.6	176.8	-99.9	0	0	0	111.8	L439 L449 I516 L517 H518 C523 I524 A588 I591 L592	L439-F520 HydrophobicContact CB-CE1 4.47Å; L439-F520 HydrophobicContact CB-CZ 4.34Å; L439-F520 HydrophobicContact CD2-CD1 4.12Å; L439-F520 HydrophobicContact CD2-CE1 3.73Å; L439-F520 HydrophobicContact CD2-CZ 4.41Å; L439-F520 WeakPolarHBondContact O-CZ 3.39Å; L449-F520 HydrophobicContact CD1-CD1 4.38Å; I516-F520 WeakPolarHBondContact O-CB 3.46Å; I516-F520 PolarHBondContact O-N 3.5Å; L517-F520 PolarHBondContact O-N 2.93Å; H518-F520 VanDerWaalsContact C-N 3.34Å; H518-F520 PolarHBondContact O-N 2.99Å; F520-C523 PolarHBondContact O-N 2.96Å; F520-I524 HydrophobicContact CD1-CD1 4Å; F520-I524 HydrophobicContact CE1-CD1 3.45Å; F520-I524 VanDerWaalsContact CE1-CD1 3.45Å; F520-I524 HydrophobicContact CE2-CD1 4.41Å; F520-I524 HydrophobicContact CZ-CD1 3.69Å; F520-I524 PolarHBondContact O-N 3.49Å; F520-I524 VanDerWaalsContact O-N 3.17Å; F520-A588 HydrophobicContact CD2-CB 3.98Å; F520-A588 HydrophobicContact CE2-CB 4.1Å; F520-I591 HydrophobicContact CB-CD1 4.26Å; F520-I591 HydrophobicContact CB-CG2 4.37Å; F520-I591 HydrophobicContact CD2-CG2 4.36Å; F520-L592 HydrophobicContact CE2-CD1 4.1Å; F520-L592 HydrophobicContact CE2-CD2 3.93Å; F520-L592 HydrophobicContact CE2-CG 3.84Å; F520-L592 HydrophobicContact CZ-CD2 4.24Å
521	N	80.8	Confident	75.8	Confident	17 Å²	17	37.8 Å²	37.8	9%	0.091	18%	0.175	C	C	.	.	H	α-helix	trans	-66.8	-41.9	177.5	-151	26.2	0	0	0	112.6	C448 L449 L517 H518 R519 C523 I524 L525	C448-N521 WeakPolarHBondContact CA-OD1 3.25Å; C448-N521 WeakPolarHBondContact CB-OD1 3.49Å; L449-N521 PolarHBondContact N-OD1 2.93Å; L449-N521 PolarHBondContact O-ND2 3.03Å; L517-N521 WeakPolarHBondContact O-CB 3.28Å; L517-N521 PolarHBondContact O-N 3.4Å; H518-N521 WeakPolarHBondContact O-CA 3.48Å; H518-N521 WeakPolarHBondContact O-CB 3.26Å; H518-N521 PolarHBondContact O-N 3.01Å; R519-N521 VanDerWaalsContact C-N 3.29Å; R519-N521 PolarHBondContact O-N 2.86Å; N521-C523 VanDerWaalsContact C-N 3.33Å; N521-C523 PolarHBondContact O-N 3.09Å; N521-I524 PolarHBondContact O-N 3.5Å; N521-L525 WeakPolarHBondContact O-CG 3.41Å; N521-L525 PolarHBondContact O-N 3.18Å
522	E	81.9	Confident	74.9	Confident	50 Å²	50	41.1 Å²	41.1	23%	0.234	19%	0.194	C	C	.	.	H	α-helix	trans	-60.9	-40	174	-68	176.9	136.1	0	0	112.2	H518 R519 I524 L525 K526 L576	H518-E522 IonicContact CE1-OE1 3.3Å; H518-E522 PolarHBondContact CE1-OE1 3.26Å; H518-E522 VanDerWaalsContact CE1-OE1 3.3Å; H518-E522 IonicContact ND1-OE1 3.35Å; H518-E522 IonicContact ND1-OE2 3.6Å; H518-E522 PolarHBondContact O-N 3.27Å; R519-E522 PolarHBondContact O-N 3.48Å; E522-I524 VanDerWaalsContact C-N 3.34Å; E522-I524 PolarHBondContact O-N 2.93Å; E522-L525 PolarHBondContact O-N 3.36Å; E522-K526 PolarHBondContact O-N 3.46Å; E522-L576 HydrophobicContact CB-CD1 3.5Å; E522-L576 VanDerWaalsContact CB-CD1 3.5Å; E522-L576 HydrophobicContact CB-CD2 4.46Å; E522-L576 HydrophobicContact CG-CD1 4.15Å; E522-L576 WeakPolarHBondContact OE2-CD1 3.35Å
523	C	84.4	Confident	73.3	Confident	0 Å²	0	48 Å²	48	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61.7	-40.3	174.7	-67.2	0	0	0	0	112.1	R519 F520 N521 A527 E587 A588	R519-C523 PolarHBondContact O-N 3.43Å; R519-C523 PolarHBondContact O-SG 2.92Å; F520-C523 PolarHBondContact O-N 2.96Å; N521-C523 VanDerWaalsContact C-N 3.33Å; N521-C523 PolarHBondContact O-N 3.09Å; C523-A527 WeakPolarHBondContact O-CB 3.41Å; C523-A527 PolarHBondContact O-N 2.98Å; C523-E587 PolarHBondContact SG-OE2 3.22Å; C523-A588 HydrophobicContact CB-CB 3.89Å
524	I	82.7	Confident	71.4	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-67.8	-44.6	175.5	-67	174.2	0	0	0	111.1	L446 F520 N521 E522 K526 A527 R528	L446-I524 HydrophobicContact CB-CG2 4.26Å; F520-I524 HydrophobicContact CD1-CD1 4Å; F520-I524 HydrophobicContact CE1-CD1 3.45Å; F520-I524 VanDerWaalsContact CE1-CD1 3.45Å; F520-I524 HydrophobicContact CE2-CD1 4.41Å; F520-I524 HydrophobicContact CZ-CD1 3.69Å; F520-I524 PolarHBondContact O-N 3.49Å; F520-I524 VanDerWaalsContact O-N 3.17Å; N521-I524 PolarHBondContact O-N 3.5Å; E522-I524 VanDerWaalsContact C-N 3.34Å; E522-I524 PolarHBondContact O-N 2.93Å; I524-K526 PolarHBondContact O-N 2.83Å; I524-A527 WeakPolarHBondContact O-CB 3.4Å; I524-A527 PolarHBondContact O-N 3.24Å; I524-R528 PolarHBondContact O-N 3.23Å
525	L	82	Confident	69.4	Low	75 Å²	75	57.6 Å²	57.6	39%	0.393	28%	0.276	S	S	.	.	H	α-helix	trans	-57.3	-48.6	176.6	-76.3	168.4	0	0	0	111.3	C448 N521 E522 A527 R528 E529	C448-L525 WeakPolarHBondContact SG-CD2 3.22Å; N521-L525 WeakPolarHBondContact O-CG 3.41Å; N521-L525 PolarHBondContact O-N 3.18Å; E522-L525 PolarHBondContact O-N 3.36Å; L525-A527 VanDerWaalsContact C-N 3.31Å; L525-A527 PolarHBondContact O-N 3.47Å; L525-R528 WeakPolarHBondContact O-CA 3.18Å; L525-R528 WeakPolarHBondContact O-CB 3.28Å; L525-R528 PolarHBondContact O-N 3.42Å; L525-E529 PolarHBondContact O-N 3.39Å
526	K	80.8	Confident	67.4	Low	33 Å²	33	63.4 Å²	63.4	14%	0.143	31%	0.308	C	S	.	.	H	α-helix	trans	-64.5	-35.3	177	-170	170.8	-165.3	-178.6	0	113.1	E522 I524 R528 S530 L576 D577 C579 A584	E522-K526 PolarHBondContact O-N 3.46Å; I524-K526 PolarHBondContact O-N 2.83Å; K526-R528 VanDerWaalsContact C-N 3.27Å; K526-R528 PolarHBondContact O-N 2.95Å; K526-S530 PolarHBondContact O-N 2.87Å; K526-S530 PolarHBondContact O-OG 2.7Å; K526-L576 HydrophobicContact CD-CD2 4.34Å; K526-L576 WeakPolarHBondContact CD-O 2.97Å; K526-L576 VanDerWaalsContact CE-O 3.25Å; K526-L576 WeakPolarHBondContact CE-O 3.47Å; K526-L576 PolarHBondContact NZ-O 2.92Å; K526-D577 PolarHBondContact NZ-O 3.35Å; K526-C579 WeakPolarHBondContact CE-O 3.29Å; K526-C579 PolarHBondContact NZ-O 2.91Å; K526-A584 HydrophobicContact CB-CB 4.46Å
527	A	81.3	Confident	64.9	Low	0 Å²	0	72.2 Å²	72.2	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-63.8	-32.9	172.3	0	0	0	0	0	112.1	L446 C523 I524 L525 S530 H531 R581 L585	L446-A527 HydrophobicContact CD2-CB 4.08Å; C523-A527 WeakPolarHBondContact O-CB 3.41Å; C523-A527 PolarHBondContact O-N 2.98Å; I524-A527 WeakPolarHBondContact O-CB 3.4Å; I524-A527 PolarHBondContact O-N 3.24Å; L525-A527 VanDerWaalsContact C-N 3.31Å; L525-A527 PolarHBondContact O-N 3.47Å; A527-S530 PolarHBondContact O-OG 2.91Å; A527-H531 PolarHBondContact O-N 3.23Å; A527-R581 HydrophobicContact CB-CG 4.48Å; A527-R581 PolarHBondContact O-NH1 3Å; A527-L585 HydrophobicContact CB-CD2 3.67Å; A527-L585 HydrophobicContact CB-CG 4.03Å
528	R	78.2	Confident	62.6	Low	108 Å²	108	77.5 Å²	77.5	41%	0.408	38%	0.382	S	S	.	.	H	α-helix	trans	-70.6	-47.5	172.5	-75.1	-175.4	162.1	-149.5	-8.8	113.7	L446 I524 L525 K526 S530 H531 Q532	L446-R528 HydrophobicContact CB-CG 4.34Å; L446-R528 PolarHBondContact O-NE 3.24Å; L446-R528 PolarHBondContact O-NH2 2.88Å; I524-R528 PolarHBondContact O-N 3.23Å; L525-R528 WeakPolarHBondContact O-CA 3.18Å; L525-R528 WeakPolarHBondContact O-CB 3.28Å; L525-R528 PolarHBondContact O-N 3.42Å; K526-R528 VanDerWaalsContact C-N 3.27Å; K526-R528 PolarHBondContact O-N 2.95Å; R528-S530 VanDerWaalsContact C-N 3.28Å; R528-S530 PolarHBondContact O-N 3.43Å; R528-H531 WeakPolarHBondContact O-CA 3.08Å; R528-H531 WeakPolarHBondContact O-CB 3.16Å; R528-H531 PolarHBondContact O-N 3.41Å; R528-Q532 PolarHBondContact O-N 2.7Å
529	E	72.7	Confident	60.2	Low	116 Å²	116	81.4 Å²	81.4	54%	0.542	40%	0.4	S	S	.	.	H	α-helix	trans	-55.5	-44.9	-180	-70.2	173.4	170.9	0	0	111.7	L525 H531 Q532 H533	L525-E529 PolarHBondContact O-N 3.39Å; E529-H531 PolarHBondContact O-N 2.99Å; E529-Q532 PolarHBondContact O-N 3.43Å; E529-H533 PolarHBondContact O-N 3.45Å
530	S	58.4	Low	57.7	Low	33 Å²	33	86 Å²	86	23%	0.231	43%	0.433	C	S	.	.	H	α-helix	trans	-67.3	-16.2	175	54.7	0	0	0	0	114.4	K526 A527 R528 R581	K526-S530 PolarHBondContact O-N 2.87Å; K526-S530 PolarHBondContact O-OG 2.7Å; A527-S530 PolarHBondContact O-OG 2.91Å; R528-S530 VanDerWaalsContact C-N 3.28Å; R528-S530 PolarHBondContact O-N 3.43Å; S530-R581 WeakPolarHBondContact OG-CB 3.49Å; S530-R581 VanDerWaalsContact OG-CG 3.32Å; S530-R581 WeakPolarHBondContact OG-CG 3.46Å
531	H	51.7	Low	55	Low	82 Å²	82	92.5 Å²	92.5	38%	0.38	47%	0.467	S	S	.	.	H	α-helix	trans	-77.9	-47.9	171.6	-130.6	-23.2	0	0	0	111.5	A527 R528 E529 H533 Q534 T535 R581	A527-H531 PolarHBondContact O-N 3.23Å; R528-H531 WeakPolarHBondContact O-CA 3.08Å; R528-H531 WeakPolarHBondContact O-CB 3.16Å; R528-H531 PolarHBondContact O-N 3.41Å; E529-H531 PolarHBondContact O-N 2.99Å; H531-H533 VanDerWaalsContact C-N 3.25Å; H531-H533 PolarHBondContact O-N 3.13Å; H531-Q534 PolarHBondContact O-N 2.76Å; H531-T535 PolarHBondContact O-N 3.11Å; H531-T535 PolarHBondContact O-OG1 2.88Å; H531-T535 VanDerWaalsContact O-OG1 3.09Å; H531-R581 VanDerWaalsContact CB-NH1 3.31Å; H531-R581 PolarHBondContact CD2-NH1 3.39Å; H531-R581 PolarHBondContact CD2-NH2 2.97Å; H531-R581 PolarHBondContact NE2-NH2 3.04Å
532	Q	48.3	Very low	52.7	Low	145 Å²	145	98.5 Å²	98.5	68%	0.678	50%	0.5	S	S	*	.	H	α-helix	trans	-62	-32.2	-177.1	-72.1	-176.5	-21.7	0	0	112.7	R528 E529 Q534	R528-Q532 PolarHBondContact O-N 2.7Å; E529-Q532 PolarHBondContact O-N 3.43Å; Q532-Q534 VanDerWaalsContact C-N 3.27Å; Q532-Q534 PolarHBondContact O-N 3Å
533	H	39.3	Very low	50.2	Low	162 Å²	162	103 Å²	103	75%	0.75	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-13.3	173.2	-77.1	-51.2	0	0	0	115	E529 H531	E529-H533 PolarHBondContact O-N 3.45Å; H531-H533 VanDerWaalsContact C-N 3.25Å; H531-H533 PolarHBondContact O-N 3.13Å
534	Q	32.3	Very low	47.7	Very low	143 Å²	143	110 Å²	110	67%	0.668	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.1	-24.5	174.8	-71.4	-173.4	-22.6	0	0	113.2	H531 Q532 L536	H531-Q534 PolarHBondContact O-N 2.76Å; Q532-Q534 VanDerWaalsContact C-N 3.27Å; Q532-Q534 PolarHBondContact O-N 3Å; Q534-L536 VanDerWaalsContact C-N 3.27Å; Q534-L536 PolarHBondContact O-N 3.39Å
535	T	30.5	Very low	45.3	Very low	99 Å²	99	117.3 Å²	117.3	61%	0.607	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	0.1	-177.6	-22.3	0	0	0	0	114.4	H531	H531-T535 PolarHBondContact O-N 3.11Å; H531-T535 PolarHBondContact O-OG1 2.88Å; H531-T535 VanDerWaalsContact O-OG1 3.09Å
536	L	29.7	Very low	43	Very low	150 Å²	150	120.9 Å²	120.9	79%	0.785	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.4	5.7	179.3	-80.7	167.5	0	0	0	114.7	Q534	Q534-L536 VanDerWaalsContact C-N 3.27Å; Q534-L536 PolarHBondContact O-N 3.39Å
537	E	28.4	Very low	40.7	Very low	184 Å²	184	127.3 Å²	127.3	86%	0.86	66%	0.657	S	S	*	*			trans	-116.9	63.5	165.8	-72.1	-165.4	162.6	0	0	111.5
538	V	30.6	Very low	38.1	Very low	124 Å²	124	130.4 Å²	130.4	75%	0.752	69%	0.689	S	S	*	*			trans	-122.8	133.6	154.6	-177.1	0	0	0	0	108.2
539	Q	26.7	Very low	35.7	Very low	184 Å²	184	133.2 Å²	133.2	86%	0.86	71%	0.712	S	S	*	*			trans	-66	144.3	-169.6	-66.5	162.3	-66.7	0	0	111.1	D541	Q539-D541 PolarHBondContact O-N 3.3Å
540	S	27.3	Very low	33.6	Very low	100 Å²	100	134.8 Å²	134.8	70%	0.699	72%	0.723	S	S	*	*			trans	-54.1	126.2	148.8	53.1	0	0	0	0	108.3
541	D	27.9	Very low	32	Very low	137 Å²	137	143.2 Å²	143.2	73%	0.733	75%	0.751	S	S	*	*				-179.9	117.7	127.6	-80.4	-14.1	0	0	0	108.9	Q539	Q539-D541 PolarHBondContact O-N 3.3Å
542	D	30.9	Very low	30.9	Very low	143 Å²	143	149 Å²	149	77%	0.765	78%	0.775	S	S	*	*			trans	68.1	144.5	145.5	-56.2	-20	0	0	0	124.2
543	D	31.2	Very low	29.9	Very low	144 Å²	144	148.3 Å²	148.3	77%	0.77	78%	0.776	S	S	*	*			trans	75.9	91.4	155.8	-58.1	-14.3	0	0	0	121.3
544	D	31.9	Very low	29.2	Very low	147 Å²	147	145.9 Å²	145.9	79%	0.786	77%	0.772	S	S	*	*				47.7	145	117.4	-69.2	-17.2	0	0	0	123.7
545	D	32.1	Very low	29.1	Very low	154 Å²	154	150.3 Å²	150.3	82%	0.824	79%	0.785	S	S	*	*			trans	92.7	137.6	156.5	-65.4	-24.3	0	0	0	122.6
546	D	33.1	Very low	28.9	Very low	151 Å²	151	152 Å²	152	81%	0.807	79%	0.79	S	S	*	*			trans	71.9	92.1	163.5	-72.9	-15.2	0	0	0	122.7
547	D	31.2	Very low	28.8	Very low	168 Å²	168	153.6 Å²	153.6	90%	0.898	79%	0.793	S	S	*	*				13.9	122.1	128.8	-73.4	-25.2	0	0	0	120.1
548	G	26.8	Very low	28.6	Very low	64 Å²	64	150.8 Å²	150.8	66%	0.66	79%	0.789	S	S	*	*			trans	171	115.6	159	0	0	0	0	0	115.9	I550	G548-I550 PolarHBondContact O-N 3.29Å
549	D	28.4	Very low	28.4	Very low	168 Å²	168	149.9 Å²	149.9	90%	0.898	79%	0.788	S	S	*	*			trans	57.7	42.9	157.1	-60.3	-18.8	0	0	0	119.8	Y551	D549-Y551 VanDerWaalsContact C-N 3.33Å; D549-Y551 PolarHBondContact O-N 3.02Å; D549-Y551 VanDerWaalsContact O-N 3.15Å
550	I	28.4	Very low	28.4	Very low	149 Å²	149	147.3 Å²	147.3	76%	0.764	79%	0.787	S	S	*	*			trans	-83.5	79.3	159.1	-50.7	177.2	0	0	0	109.4	G548	G548-I550 PolarHBondContact O-N 3.29Å
551	Y	25.9	Very low	28.2	Very low	209 Å²	209	147.7 Å²	147.7	82%	0.82	79%	0.79	S	S	*	*			trans	-142.8	50.1	173.6	-145.5	-82.4	0	0	0	112.4	D549	D549-Y551 VanDerWaalsContact C-N 3.33Å; D549-Y551 PolarHBondContact O-N 3.02Å; D549-Y551 VanDerWaalsContact O-N 3.15Å
552	F	27.4	Very low	27.9	Very low	203 Å²	203	146.5 Å²	146.5	89%	0.89	79%	0.793	S	S	*	*	S	Bend	trans	-164	-13.2	156.6	-105.8	-61.6	0	0	0	115.6
553	D	27.1	Very low	27.6	Very low	132 Å²	132	147.6 Å²	147.6	71%	0.706	79%	0.793	S	S	*	*			trans	-101.2	160	174	-69.8	-52.6	0	0	0	112.4
554	V	25.6	Very low	27.2	Very low	110 Å²	110	147 Å²	147	67%	0.667	79%	0.79	S	S	*	*			trans	74.6	80	-172.7	-162.5	0	0	0	0	114.9
555	Y	29.1	Very low	26.8	Very low	236 Å²	236	148.2 Å²	148.2	93%	0.925	80%	0.796	S	S	*	*			trans	-102.1	112.4	135.1	-108.1	-86.9	0	0	0	107.3	E557	Y555-E557 PolarHBondContact O-N 2.65Å; Y555-E557 VanDerWaalsContact O-N 3.11Å
556	D	26.3	Very low	26.6	Very low	134 Å²	134	147.7 Å²	147.7	72%	0.717	80%	0.798	S	S	*	*			trans	-69.4	102.3	169.5	-74.1	-40	0	0	0	108.8	T558	D556-T558 PolarHBondContact O-N 2.95Å
557	E	28.4	Very low	26	Very low	184 Å²	184	149.3 Å²	149.3	86%	0.86	80%	0.798	S	S	*	*			trans	-67.4	99	163.1	-78.3	-167.2	172.3	0	0	108.4	Y555 S559	Y555-E557 PolarHBondContact O-N 2.65Å; Y555-E557 VanDerWaalsContact O-N 3.11Å; E557-S559 PolarHBondContact O-N 3.37Å
558	T	25.1	Very low	25.6	Very low	126 Å²	126	146.6 Å²	146.6	77%	0.773	79%	0.792	S	S	*	*			trans	-55.6	111.2	169.3	47.8	0	0	0	0	109.1	D556	D556-T558 PolarHBondContact O-N 2.95Å
559	S	24.5	Very low	25.5	Very low	104 Å²	104	150 Å²	150	73%	0.727	80%	0.8	S	S	*	*			trans	-43.1	126.2	-179.5	55.9	0	0	0	0	111.9	E557 S561	E557-S559 PolarHBondContact O-N 3.37Å; S559-S561 PolarHBondContact O-N 3.37Å
560	P	27	Very low	25.3	Very low	130 Å²	130	153.1 Å²	153.1	84%	0.844	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-57.3	127.8	-177.2	-25.3	33.5	0	0	0	111.8	S562	P560-S562 PolarHBondContact O-N 2.91Å
561	S	22.9	Very low	25.3	Very low	108 Å²	108	151.8 Å²	151.8	76%	0.755	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-60.3	128.6	177.4	54	0	0	0	0	111	S559 H563	S559-S561 PolarHBondContact O-N 3.37Å; S561-H563 PolarHBondContact O-N 3.41Å
562	S	23.1	Very low	25.8	Very low	113 Å²	113	148.6 Å²	148.6	79%	0.79	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-49.7	119.8	176.1	54.4	0	0	0	0	113	P560	P560-S562 PolarHBondContact O-N 2.91Å
563	H	23.1	Very low	26.6	Very low	166 Å²	166	144.1 Å²	144.1	77%	0.769	78%	0.78	S	S	*	*			trans	-144.3	127.9	157.1	-103.3	-68.8	0	0	0	113.2	S561	S561-H563 PolarHBondContact O-N 3.41Å
564	D	24.6	Very low	28.3	Very low	131 Å²	131	140.1 Å²	140.1	70%	0.701	76%	0.759	S	S	*	*			trans	73.4	102.2	149.1	-58.9	0.5	0	0	0	121.1	V566	D564-V566 PolarHBondContact O-N 3.35Å; D564-V566 VanDerWaalsContact O-N 3.11Å
565	D	22.8	Very low	30.5	Very low	172 Å²	172	136.9 Å²	136.9	92%	0.92	73%	0.734	S	S	*	*			trans	-42.8	101	163.5	-68.7	-64.1	0	0	0	114.9
566	V	27.6	Very low	32.3	Very low	144 Å²	144	126.4 Å²	126.4	87%	0.873	69%	0.694	S	S	*	*			trans	-96.8	122.8	161.5	-178.2	0	0	0	0	110.6	D564 S568	D564-V566 PolarHBondContact O-N 3.35Å; D564-V566 VanDerWaalsContact O-N 3.11Å; V566-S568 PolarHBondContact O-N 2.89Å
567	K	21.1	Very low	34.5	Very low	184 Å²	184	125 Å²	125	80%	0.8	69%	0.687	S	S	*	*			trans	-63.4	120.6	-167.1	-67.2	166.2	-178.9	165.3	0	114.6
568	S	21.6	Very low	36.5	Very low	112 Å²	112	120.6 Å²	120.6	78%	0.783	68%	0.682	S	S	*	*			trans	42.7	81.6	135.7	69.1	0	0	0	0	118	V566	V566-S568 PolarHBondContact O-N 2.89Å
569	V	26.1	Very low	38.9	Very low	135 Å²	135	115.3 Å²	115.3	82%	0.818	65%	0.65	S	S	*	*			trans	-113.4	134.7	145	-179.2	0	0	0	0	107
570	R	23.1	Very low	41.5	Very low	234 Å²	234	113.1 Å²	113.1	88%	0.883	63%	0.634	S	S	*	*			trans	-56.7	123.8	-175	-64.4	174.6	178.7	172.2	-1.4	109.7	K572	R570-K572 PolarHBondContact O-N 3.45Å
571	P	29.7	Very low	44.1	Very low	120 Å²	120	109.6 Å²	109.6	78%	0.779	60%	0.604	S	S	*	*			trans	-67	113.6	177.6	27	-32.5	0	0	0	108.7	T573	P571-T573 PolarHBondContact O-N 3.21Å
572	K	35.5	Very low	47	Very low	143 Å²	143	110.2 Å²	110.2	62%	0.622	60%	0.599	S	S	*	*			trans	-65	113.3	154.1	-77.6	175.6	170.2	179.2	0	105.1	Q495 R570 N574	Q495-K572 PolarHBondContact O-NZ 3.24Å; R570-K572 PolarHBondContact O-N 3.45Å; K572-N574 PolarHBondContact O-N 3.18Å
573	T	44.5	Very low	49.8	Very low	109 Å²	109	107.4 Å²	107.4	67%	0.669	58%	0.575	S	S	*	*			trans	-54	123.5	178.2	47.1	0	0	0	0	110.4	P571	P571-T573 PolarHBondContact O-N 3.21Å
574	N	62.9	Low	52.7	Low	48 Å²	48	99.5 Å²	99.5	26%	0.257	54%	0.539	S	S	.	.			trans	-69.3	141.8	167.5	-68.2	-29.5	0	0	0	107.6	N498 K572 L576 D577	N498-N574 WeakPolarHBondContact CB-OD1 3.38Å; N498-N574 PolarHBondContact ND2-OD1 2.75Å; N498-N574 WeakPolarHBondContact O-CA 3.17Å; K572-N574 PolarHBondContact O-N 3.18Å; N574-L576 HydrophobicContact CB-CB 4.43Å; N574-L576 PolarHBondContact O-N 3.1Å; N574-D577 WeakPolarHBondContact CB-OD2 3.29Å; N574-D577 PolarHBondContact N-OD2 3.39Å; N574-D577 WeakPolarHBondContact O-CB 3.42Å; N574-D577 PolarHBondContact O-N 3.35Å
575	W	72.2	Confident	55.6	Low	41 Å²	41	94.8 Å²	94.8	16%	0.155	51%	0.513	C	S	.	.	H	α-helix	trans	-58.9	-35.3	172.1	173.6	88.1	0	0	0	111	N498 K501 D577 A578 C579 D583 E587	N498-W575 PolarHBondContact O-N 3.4Å; K501-W575 HydrophobicContact CD-CZ2 4.28Å; K501-W575 HydrophobicContact CG-CD2 4.39Å; K501-W575 HydrophobicContact CG-CZ2 4.04Å; W575-D577 PolarHBondContact O-N 3.16Å; W575-A578 PolarHBondContact O-N 3.34Å; W575-A578 VanDerWaalsContact O-N 3.12Å; W575-C579 HydrophobicContact CD2-CB 4.11Å; W575-C579 HydrophobicContact CE3-CB 4.12Å; W575-C579 HydrophobicContact CH2-CB 3.54Å; W575-C579 HydrophobicContact CZ2-CB 3.46Å; W575-C579 VanDerWaalsContact CZ2-CB 3.46Å; W575-C579 HydrophobicContact CZ3-CB 3.85Å; W575-C579 VanDerWaalsContact CZ3-SG 3.58Å; W575-C579 PolarHBondContact O-N 3.05Å; W575-C579 VanDerWaalsContact O-N 3.16Å; W575-D583 HydrophobicContact CH2-CB 4.02Å; W575-D583 HydrophobicContact CZ2-CB 4Å; W575-E587 HydrophobicContact CH2-CB 4.17Å; W575-E587 HydrophobicContact CZ3-CB 4.42Å; W575-E587 WeakPolarHBondContact CZ3-OE2 3.5Å
576	L	67	Low	58.6	Low	16 Å²	16	89 Å²	89	8%	0.084	49%	0.487	C	S	.	.	H	α-helix	trans	-62.5	-15	172.6	-85.7	163	0	0	0	114.3	E522 K526 N574	E522-L576 HydrophobicContact CB-CD1 3.5Å; E522-L576 VanDerWaalsContact CB-CD1 3.5Å; E522-L576 HydrophobicContact CB-CD2 4.46Å; E522-L576 HydrophobicContact CG-CD1 4.15Å; E522-L576 WeakPolarHBondContact OE2-CD1 3.35Å; K526-L576 HydrophobicContact CD-CD2 4.34Å; K526-L576 WeakPolarHBondContact CD-O 2.97Å; K526-L576 VanDerWaalsContact CE-O 3.25Å; K526-L576 WeakPolarHBondContact CE-O 3.47Å; K526-L576 PolarHBondContact NZ-O 2.92Å; N574-L576 HydrophobicContact CB-CB 4.43Å; N574-L576 PolarHBondContact O-N 3.1Å
577	D	71.4	Confident	61.4	Low	105 Å²	105	82.5 Å²	82.5	56%	0.561	45%	0.447	S	S	*	.	H	α-helix	trans	-76.1	-38.6	172.3	-54.1	-28.9	0	0	0	109.7	K526 N574 W575	K526-D577 PolarHBondContact NZ-O 3.35Å; N574-D577 WeakPolarHBondContact CB-OD2 3.29Å; N574-D577 PolarHBondContact N-OD2 3.39Å; N574-D577 WeakPolarHBondContact O-CB 3.42Å; N574-D577 PolarHBondContact O-N 3.35Å; W575-D577 PolarHBondContact O-N 3.16Å
578	A	71.1	Confident	64.5	Low	92 Å²	92	73.8 Å²	73.8	76%	0.76	41%	0.409	S	S	*	.	H	α-helix	trans	-96.8	-15.5	-168	0	0	0	0	0	116	W575	W575-A578 PolarHBondContact O-N 3.34Å; W575-A578 VanDerWaalsContact O-N 3.12Å
579	C	75.3	Confident	67.6	Low	15 Å²	15	73.1 Å²	73.1	10%	0.101	39%	0.393	C	S	.	.			trans	-75.4	160.3	-175.3	80.1	0	0	0	0	114	K526 W575 D583	K526-C579 WeakPolarHBondContact CE-O 3.29Å; K526-C579 PolarHBondContact NZ-O 2.91Å; W575-C579 HydrophobicContact CD2-CB 4.11Å; W575-C579 HydrophobicContact CE3-CB 4.12Å; W575-C579 HydrophobicContact CH2-CB 3.54Å; W575-C579 HydrophobicContact CZ2-CB 3.46Å; W575-C579 VanDerWaalsContact CZ2-CB 3.46Å; W575-C579 HydrophobicContact CZ3-CB 3.85Å; W575-C579 VanDerWaalsContact CZ3-SG 3.58Å; W575-C579 PolarHBondContact O-N 3.05Å; W575-C579 VanDerWaalsContact O-N 3.16Å; C579-D583 HydrophobicContact CB-CB 3.76Å
580	S	79.8	Confident	70.5	Confident	57 Å²	57	68 Å²	68	40%	0.399	36%	0.363	S	S	.	.			trans	-83.1	168.9	172.2	74.6	0	0	0	0	112.5	N582 D583 A584	S580-N582 VanDerWaalsContact C-N 3.25Å; S580-N582 PolarHBondContact O-N 3.34Å; S580-N582 PolarHBondContact OG-N 3.23Å; S580-D583 VanDerWaalsContact CB-OD2 3.26Å; S580-D583 WeakPolarHBondContact CB-OD2 3.37Å; S580-D583 PolarHBondContact N-OD2 2.85Å; S580-D583 WeakPolarHBondContact O-CB 3.48Å; S580-D583 PolarHBondContact O-N 2.89Å; S580-D583 VanDerWaalsContact O-N 3.15Å; S580-D583 PolarHBondContact OG-N 3.2Å; S580-D583 VanDerWaalsContact OG-N 3.17Å; S580-D583 PolarHBondContact OG-OD2 3.15Å; S580-A584 PolarHBondContact O-N 3.21Å
581	R	81.4	Confident	73.6	Confident	57 Å²	57	56.9 Å²	56.9	22%	0.215	32%	0.321	C	S	.	.	H	α-helix	trans	-50.8	-46.9	170.1	-179.7	-177.4	171	122.1	-15.5	112.1	A527 S530 H531 D583 A584 L585	A527-R581 HydrophobicContact CB-CG 4.48Å; A527-R581 PolarHBondContact O-NH1 3Å; S530-R581 WeakPolarHBondContact OG-CB 3.49Å; S530-R581 VanDerWaalsContact OG-CG 3.32Å; S530-R581 WeakPolarHBondContact OG-CG 3.46Å; H531-R581 VanDerWaalsContact CB-NH1 3.31Å; H531-R581 PolarHBondContact CD2-NH1 3.39Å; H531-R581 PolarHBondContact CD2-NH2 2.97Å; H531-R581 PolarHBondContact NE2-NH2 3.04Å; R581-D583 VanDerWaalsContact C-N 3.31Å; R581-D583 PolarHBondContact O-N 3.5Å; R581-A584 PolarHBondContact O-N 3.05Å; R581-L585 HydrophobicContact CG-CD1 4.1Å; R581-L585 WeakPolarHBondContact O-CG 3.42Å; R581-L585 PolarHBondContact O-N 2.88Å
582	N	82.3	Confident	76.3	Confident	120 Å²	120	51.6 Å²	51.6	64%	0.642	29%	0.286	S	S	*	.	H	α-helix	trans	-69.2	-33.8	-177	-64.9	-7.5	0	0	0	111	S580 S586	S580-N582 VanDerWaalsContact C-N 3.25Å; S580-N582 PolarHBondContact O-N 3.34Å; S580-N582 PolarHBondContact OG-N 3.23Å; N582-S586 VanDerWaalsContact O-CB 3.27Å; N582-S586 WeakPolarHBondContact O-CB 3.33Å; N582-S586 PolarHBondContact O-N 3.42Å; N582-S586 PolarHBondContact O-OG 3.24Å
583	D	83.5	Confident	78.7	Confident	55 Å²	55	49.2 Å²	49.2	29%	0.294	28%	0.28	S	S	.	.	H	α-helix	trans	-64.1	-45.7	171.4	-66.1	-69.4	0	0	0	111.3	W575 C579 S580 R581 S586 E587	W575-D583 HydrophobicContact CH2-CB 4.02Å; W575-D583 HydrophobicContact CZ2-CB 4Å; C579-D583 HydrophobicContact CB-CB 3.76Å; S580-D583 VanDerWaalsContact CB-OD2 3.26Å; S580-D583 WeakPolarHBondContact CB-OD2 3.37Å; S580-D583 PolarHBondContact N-OD2 2.85Å; S580-D583 WeakPolarHBondContact O-CB 3.48Å; S580-D583 PolarHBondContact O-N 2.89Å; S580-D583 VanDerWaalsContact O-N 3.15Å; S580-D583 PolarHBondContact OG-N 3.2Å; S580-D583 VanDerWaalsContact OG-N 3.17Å; S580-D583 PolarHBondContact OG-OD2 3.15Å; R581-D583 VanDerWaalsContact C-N 3.31Å; R581-D583 PolarHBondContact O-N 3.5Å; D583-S586 WeakPolarHBondContact CA-OG 3.36Å; D583-S586 PolarHBondContact O-N 3.43Å; D583-S586 PolarHBondContact O-OG 2.99Å; D583-E587 PolarHBondContact O-N 3.47Å
584	A	83.9	Confident	80.7	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-61.9	-45.2	178.8	0	0	0	0	0	112.2	K526 S580 R581 E587 A588	K526-A584 HydrophobicContact CB-CB 4.46Å; S580-A584 PolarHBondContact O-N 3.21Å; R581-A584 PolarHBondContact O-N 3.05Å; A584-E587 PolarHBondContact O-N 2.93Å; A584-A588 PolarHBondContact O-N 3.46Å
585	L	85.4	Confident	81.7	Confident	32 Å²	32	44.7 Å²	44.7	17%	0.168	25%	0.248	C	C	.	.	H	α-helix	trans	-63.4	-42.7	174.5	-69.4	175.6	0	0	0	111.9	Y443 L446 A527 R581 E587 A588 E589	Y443-L585 HydrophobicContact CE2-CB 4.42Å; Y443-L585 HydrophobicContact CE2-CD2 3.91Å; Y443-L585 PolarHBondContact OH-O 2.86Å; L446-L585 HydrophobicContact CD2-CD2 3.65Å; A527-L585 HydrophobicContact CB-CD2 3.67Å; A527-L585 HydrophobicContact CB-CG 4.03Å; R581-L585 HydrophobicContact CG-CD1 4.1Å; R581-L585 WeakPolarHBondContact O-CG 3.42Å; R581-L585 PolarHBondContact O-N 2.88Å; L585-E587 VanDerWaalsContact C-N 3.26Å; L585-E587 PolarHBondContact O-N 2.78Å; L585-A588 PolarHBondContact O-N 3.46Å; L585-E589 WeakPolarHBondContact O-CB 3.26Å; L585-E589 PolarHBondContact O-N 2.67Å
586	S	84.8	Confident	82.2	Confident	51 Å²	51	49 Å²	49	36%	0.357	27%	0.268	S	S	.	.	H	α-helix	trans	-64.6	-29.9	175.9	76.6	0	0	0	0	112.9	N582 D583 T590	N582-S586 VanDerWaalsContact O-CB 3.27Å; N582-S586 WeakPolarHBondContact O-CB 3.33Å; N582-S586 PolarHBondContact O-N 3.42Å; N582-S586 PolarHBondContact O-OG 3.24Å; D583-S586 WeakPolarHBondContact CA-OG 3.36Å; D583-S586 PolarHBondContact O-N 3.43Å; D583-S586 PolarHBondContact O-OG 2.99Å; S586-T590 WeakPolarHBondContact O-CG2 3.45Å; S586-T590 PolarHBondContact O-N 3.2Å; S586-T590 VanDerWaalsContact O-N 3.08Å; S586-T590 PolarHBondContact O-OG1 3Å
587	E	86.1	Confident	83	Confident	7 Å²	7	52.6 Å²	52.6	3%	0.033	29%	0.294	C	S	.	.	H	α-helix	trans	-73.9	-44.2	175.5	-168.9	172	-121.6	0	0	111.1	K501 F502 R519 C523 W575 D583 A584 L585 E589 T590 I591	K501-E587 VanDerWaalsContact CA-OE1 3.24Å; K501-E587 WeakPolarHBondContact CA-OE1 2.87Å; F502-E587 HydrophobicContact CB-CG 3.85Å; F502-E587 PolarHBondContact N-OE1 3.11Å; R519-E587 IonicContact CZ-OE1 3.9Å; R519-E587 IonicContact CZ-OE2 3.18Å; R519-E587 IonicContact NE-OE1 3.98Å; R519-E587 IonicContact NE-OE2 2.73Å; R519-E587 PolarHBondContact NE-OE2 3.49Å; R519-E587 VanDerWaalsContact NH2-CD 3.29Å; R519-E587 IonicContact NH2-OE1 2.99Å; R519-E587 PolarHBondContact NH2-OE1 2.86Å; R519-E587 IonicContact NH2-OE2 2.81Å; R519-E587 PolarHBondContact NH2-OE2 3.12Å; C523-E587 PolarHBondContact SG-OE2 3.22Å; W575-E587 HydrophobicContact CH2-CB 4.17Å; W575-E587 HydrophobicContact CZ3-CB 4.42Å; W575-E587 WeakPolarHBondContact CZ3-OE2 3.5Å; D583-E587 PolarHBondContact O-N 3.47Å; A584-E587 PolarHBondContact O-N 2.93Å; L585-E587 VanDerWaalsContact C-N 3.26Å; L585-E587 PolarHBondContact O-N 2.78Å; E587-E589 VanDerWaalsContact C-N 3.33Å; E587-E589 PolarHBondContact O-N 2.83Å; E587-T590 WeakPolarHBondContact CA-OG1 3.45Å; E587-T590 PolarHBondContact O-N 3.42Å; E587-T590 VanDerWaalsContact O-N 3.07Å; E587-T590 PolarHBondContact O-OG1 2.93Å; E587-I591 WeakPolarHBondContact O-CG1 3.33Å; E587-I591 PolarHBondContact O-N 3.11Å
588	A	87	Confident	83.3	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.008	27%	0.272	C	S	.	.	H	α-helix	trans	-59.4	-41.8	173.2	0	0	0	0	0	112.3	Y443 F520 C523 A584 L585 T590 I591 L592	Y443-A588 HydrophobicContact CD2-CB 3.84Å; Y443-A588 HydrophobicContact CE2-CB 3.86Å; F520-A588 HydrophobicContact CD2-CB 3.98Å; F520-A588 HydrophobicContact CE2-CB 4.1Å; C523-A588 HydrophobicContact CB-CB 3.89Å; A584-A588 PolarHBondContact O-N 3.46Å; L585-A588 PolarHBondContact O-N 3.46Å; A588-T590 VanDerWaalsContact C-N 3.33Å; A588-T590 PolarHBondContact O-N 2.91Å; A588-I591 PolarHBondContact O-N 3.24Å; A588-L592 PolarHBondContact O-N 3.39Å
589	E	87.4	Confident	83.5	Confident	98 Å²	98	47.6 Å²	47.6	46%	0.458	26%	0.257	S	S	.	.	H	α-helix	trans	-58.8	-43	171.9	-172	176.1	-152.2	0	0	111.2	L585 E587 I591 L592 D593	L585-E589 WeakPolarHBondContact O-CB 3.26Å; L585-E589 PolarHBondContact O-N 2.67Å; E587-E589 VanDerWaalsContact C-N 3.33Å; E587-E589 PolarHBondContact O-N 2.83Å; E589-I591 VanDerWaalsContact C-N 3.3Å; E589-I591 PolarHBondContact O-N 3.34Å; E589-L592 PolarHBondContact O-N 2.94Å; E589-D593 PolarHBondContact O-N 3.31Å
590	T	86.9	Confident	83.3	Confident	28 Å²	28	48.6 Å²	48.6	17%	0.172	26%	0.261	C	S	.	.	H	α-helix	trans	-69.1	-24.9	176.8	62.7	0	0	0	0	114.4	S586 E587 A588 W594	S586-T590 WeakPolarHBondContact O-CG2 3.45Å; S586-T590 PolarHBondContact O-N 3.2Å; S586-T590 VanDerWaalsContact O-N 3.08Å; S586-T590 PolarHBondContact O-OG1 3Å; E587-T590 WeakPolarHBondContact CA-OG1 3.45Å; E587-T590 PolarHBondContact O-N 3.42Å; E587-T590 VanDerWaalsContact O-N 3.07Å; E587-T590 PolarHBondContact O-OG1 2.93Å; A588-T590 VanDerWaalsContact C-N 3.33Å; A588-T590 PolarHBondContact O-N 2.91Å; T590-W594 VanDerWaalsContact O-CB 3.24Å; T590-W594 WeakPolarHBondContact O-CB 3.48Å; T590-W594 PolarHBondContact O-N 2.95Å; T590-W594 VanDerWaalsContact O-N 3.07Å
591	I	87.4	Confident	82.7	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-71.9	-42.4	171.1	-67.6	166.2	0	0	0	110.1	F502 I516 R519 F520 E587 A588 E589 W594 L595	F502-I591 HydrophobicContact CB-CG1 4.37Å; F502-I591 HydrophobicContact CD1-CG1 3.68Å; F502-I591 HydrophobicContact CD2-CD1 4.39Å; F502-I591 HydrophobicContact CD2-CG1 3.88Å; F502-I591 HydrophobicContact CE1-CB 4.39Å; F502-I591 HydrophobicContact CE1-CG1 3.85Å; F502-I591 HydrophobicContact CE2-CG1 4.04Å; F502-I591 HydrophobicContact CG-CD1 4.42Å; F502-I591 HydrophobicContact CG-CG1 3.7Å; F502-I591 HydrophobicContact CZ-CG1 4.02Å; I516-I591 HydrophobicContact CG2-CG2 3.57Å; R519-I591 HydrophobicContact CB-CD1 4.45Å; R519-I591 HydrophobicContact CG-CD1 4.04Å; F520-I591 HydrophobicContact CB-CD1 4.26Å; F520-I591 HydrophobicContact CB-CG2 4.37Å; F520-I591 HydrophobicContact CD2-CG2 4.36Å; E587-I591 WeakPolarHBondContact O-CG1 3.33Å; E587-I591 PolarHBondContact O-N 3.11Å; A588-I591 PolarHBondContact O-N 3.24Å; E589-I591 VanDerWaalsContact C-N 3.3Å; E589-I591 PolarHBondContact O-N 3.34Å; I591-W594 PolarHBondContact O-N 3.42Å; I591-L595 HydrophobicContact CG2-CD1 4.24Å; I591-L595 WeakPolarHBondContact O-CG 3.47Å; I591-L595 PolarHBondContact O-N 3.19Å
592	L	86.4	Confident	82.2	Confident	9 Å²	9	48.1 Å²	48.1	5%	0.047	26%	0.258	C	S	.	.	H	α-helix	trans	-63.1	-48.7	175.1	-69.9	173.8	0	0	0	111.7	Y436 L439 Y443 F520 A588 E589 W594 L595 K596	Y436-L592 HydrophobicContact CD2-CD2 4.46Å; Y436-L592 HydrophobicContact CE2-CB 4.09Å; Y436-L592 HydrophobicContact CE2-CD2 4.25Å; Y436-L592 WeakPolarHBondContact CE2-O 3.2Å; L439-L592 HydrophobicContact CB-CD2 3.81Å; Y443-L592 HydrophobicContact CD1-CD1 4.11Å; Y443-L592 HydrophobicContact CD2-CD1 4.26Å; Y443-L592 HydrophobicContact CG-CD1 3.78Å; F520-L592 HydrophobicContact CE2-CD1 4.1Å; F520-L592 HydrophobicContact CE2-CD2 3.93Å; F520-L592 HydrophobicContact CE2-CG 3.84Å; F520-L592 HydrophobicContact CZ-CD2 4.24Å; A588-L592 PolarHBondContact O-N 3.39Å; E589-L592 PolarHBondContact O-N 2.94Å; L592-W594 VanDerWaalsContact C-N 3.27Å; L592-W594 PolarHBondContact O-N 2.81Å; L592-L595 PolarHBondContact O-N 3.03Å; L592-K596 WeakPolarHBondContact O-CB 3.27Å; L592-K596 PolarHBondContact O-N 3.17Å
593	D	86.3	Confident	81.7	Confident	93 Å²	93	43.3 Å²	43.3	50%	0.497	23%	0.232	S	C	.	.	H	α-helix	trans	-58.5	-40.6	175.6	-85.4	-15.9	0	0	0	111.8	E589 K596 S597	E589-D593 PolarHBondContact O-N 3.31Å; D593-K596 PolarHBondContact O-N 3.13Å; D593-S597 WeakPolarHBondContact O-CB 3.4Å; D593-S597 PolarHBondContact O-N 3.31Å
594	W	86.8	Confident	81	Confident	43 Å²	43	40.8 Å²	40.8	16%	0.163	22%	0.218	C	C	.	.	H	α-helix	trans	-64.4	-49	175.7	172.8	82.7	0	0	0	112	F502 Y510 I516 T590 I591 L592 K596 S597 R598	F502-W594 HydrophobicContact CE1-CB 3.65Å; F502-W594 HydrophobicContact CE1-CD2 4.14Å; F502-W594 HydrophobicContact CE1-CE3 4.42Å; F502-W594 AromaticContact CE1-CG 3.79Å; F502-W594 HydrophobicContact CE1-CG 3.79Å; F502-W594 HydrophobicContact CZ-CB 4.17Å; F502-W594 AromaticContact CZ-CD2 3.73Å; F502-W594 HydrophobicContact CZ-CD2 3.73Å; F502-W594 AromaticContact CZ-CE3 3.78Å; F502-W594 HydrophobicContact CZ-CE3 3.78Å; F502-W594 AromaticContact CZ-CG 3.88Å; F502-W594 HydrophobicContact CZ-CG 3.88Å; F502-W594 HydrophobicContact CZ-CZ3 4.47Å; Y510-W594 HydrophobicContact CD1-CD2 4.19Å; Y510-W594 AromaticContact CD1-CE2 3.48Å; Y510-W594 VanDerWaalsContact CD1-CE2 3.48Å; Y510-W594 HydrophobicContact CD1-CH2 4.44Å; Y510-W594 AromaticContact CD1-CZ2 3.66Å; Y510-W594 HydrophobicContact CD1-CZ2 3.66Å; Y510-W594 AromaticContact CD1-NE1 3.43Å; Y510-W594 AromaticContact CE1-NE1 3.82Å; Y510-W594 HydrophobicContact CG-CZ2 4.15Å; Y510-W594 VanDerWaalsContact O-CH2 3.31Å; Y510-W594 WeakPolarHBondContact O-CH2 3.48Å; Y510-W594 WeakPolarHBondContact O-CZ2 3.39Å; I516-W594 HydrophobicContact CD1-CH2 3.42Å; I516-W594 VanDerWaalsContact CD1-CH2 3.42Å; I516-W594 HydrophobicContact CD1-CZ2 4.33Å; I516-W594 HydrophobicContact CD1-CZ3 3.54Å; I516-W594 HydrophobicContact CG2-CE3 4.5Å; I516-W594 HydrophobicContact CG2-CZ3 4.08Å; T590-W594 VanDerWaalsContact O-CB 3.24Å; T590-W594 WeakPolarHBondContact O-CB 3.48Å; T590-W594 PolarHBondContact O-N 2.95Å; T590-W594 VanDerWaalsContact O-N 3.07Å; I591-W594 PolarHBondContact O-N 3.42Å; L592-W594 VanDerWaalsContact C-N 3.27Å; L592-W594 PolarHBondContact O-N 2.81Å; W594-K596 VanDerWaalsContact C-N 3.29Å; W594-K596 PolarHBondContact O-N 3.21Å; W594-S597 PolarHBondContact O-N 2.98Å; W594-S597 PolarHBondContact O-OG 3.02Å; W594-R598 HydrophobicContact CD2-CG 4.4Å; W594-R598 VanDerWaalsContact CH2-CD 3.44Å; W594-R598 HydrophobicContact CH2-CG 4.34Å; W594-R598 VanDerWaalsContact CZ2-CD 3.4Å; W594-R598 HydrophobicContact CZ2-CG 3.91Å; W594-R598 PolarHBondContact O-N 3Å
595	L	83.4	Confident	80.4	Confident	18 Å²	18	41.8 Å²	41.8	9%	0.094	22%	0.223	C	C	.	.	H	α-helix	trans	-54.4	-46.1	176.2	-79.7	168.6	0	0	0	111.3	L439 L513 I591 L592 S597 R598	L439-L595 HydrophobicContact CD1-CD1 3.89Å; L513-L595 HydrophobicContact CD2-CD2 3.97Å; I591-L595 HydrophobicContact CG2-CD1 4.24Å; I591-L595 WeakPolarHBondContact O-CG 3.47Å; I591-L595 PolarHBondContact O-N 3.19Å; L592-L595 PolarHBondContact O-N 3.03Å; L595-S597 VanDerWaalsContact C-N 3.26Å; L595-S597 PolarHBondContact O-N 3.16Å; L595-R598 PolarHBondContact O-N 3.48Å
596	K	83.2	Confident	79.8	Confident	133 Å²	133	40.2 Å²	40.2	58%	0.578	22%	0.215	S	C	*	.	H	α-helix	trans	-63.4	-28.9	176.8	-165.4	-175.4	-154.7	148.8	0	113.7	Y436 L592 D593 W594	Y436-K596 HydrophobicContact CD2-CB 4.29Å; Y436-K596 HydrophobicContact CE1-CD 4.33Å; Y436-K596 HydrophobicContact CE2-CB 3.81Å; Y436-K596 HydrophobicContact CE2-CD 4.39Å; Y436-K596 HydrophobicContact CE2-CG 4.32Å; Y436-K596 WeakPolarHBondContact OH-CD 3.48Å; Y436-K596 PolarHBondContact OH-NZ 3.01Å; L592-K596 WeakPolarHBondContact O-CB 3.27Å; L592-K596 PolarHBondContact O-N 3.17Å; D593-K596 PolarHBondContact O-N 3.13Å; W594-K596 VanDerWaalsContact C-N 3.29Å; W594-K596 PolarHBondContact O-N 3.21Å
597	S	82.5	Confident	79.4	Confident	90 Å²	90	37.8 Å²	37.8	63%	0.629	20%	0.198	S	C	*	.	H	α-helix	trans	-83.6	-18.2	-178.1	76.2	0	0	0	0	114.6	D593 W594 L595	D593-S597 WeakPolarHBondContact O-CB 3.4Å; D593-S597 PolarHBondContact O-N 3.31Å; W594-S597 PolarHBondContact O-N 2.98Å; W594-S597 PolarHBondContact O-OG 3.02Å; L595-S597 VanDerWaalsContact C-N 3.26Å; L595-S597 PolarHBondContact O-N 3.16Å
598	R	78	Confident	78.7	Confident	28 Å²	28	37.6 Å²	37.6	11%	0.106	20%	0.197	C	C	.	.	S	Bend	trans	-67.9	149	-179.4	-70.5	-173.7	92.6	178.6	3.7	111.9	W594 L595 D602 H603 S606	W594-R598 HydrophobicContact CD2-CG 4.4Å; W594-R598 VanDerWaalsContact CH2-CD 3.44Å; W594-R598 HydrophobicContact CH2-CG 4.34Å; W594-R598 VanDerWaalsContact CZ2-CD 3.4Å; W594-R598 HydrophobicContact CZ2-CG 3.91Å; W594-R598 PolarHBondContact O-N 3Å; L595-R598 PolarHBondContact O-N 3.48Å; R598-D602 HydrophobicContact CB-CB 4.47Å; R598-D602 PolarHBondContact NH2-O 3.44Å; R598-H603 VanDerWaalsContact CB-CE1 3.4Å; R598-H603 WeakPolarHBondContact CB-CE1 3.33Å; R598-S606 PolarHBondContact NH1-OG 2.86Å; R598-S606 VanDerWaalsContact NH1-OG 3.13Å; R598-S606 PolarHBondContact NH2-OG 3.09Å
599	C	75.7	Confident	78.2	Confident	64 Å²	64	37.6 Å²	37.6	43%	0.432	20%	0.197	S	C	.	.			trans	-82	164.1	169.1	79.8	0	0	0	0	111.6	L601 D602 H603	C599-L601 PolarHBondContact O-N 3.46Å; C599-D602 PolarHBondContact N-OD2 3.37Å; C599-D602 PolarHBondContact O-N 3.09Å; C599-D602 PolarHBondContact SG-OD2 3.05Å; C599-H603 PolarHBondContact O-N 2.92Å; C599-H603 PolarHBondContact O-ND1 3.01Å
600	L	71.3	Confident	77.6	Confident	36 Å²	36	33 Å²	33	19%	0.188	18%	0.175	C	C	.	.	H	α-helix	trans	-60.3	-33.2	178.1	-177.8	62.3	0	0	0	112.7	L425 I428 N429 F432 H603 L604	L425-L600 HydrophobicContact CB-CD2 4.08Å; L425-L600 HydrophobicContact CD2-CD2 3.81Å; L425-L600 HydrophobicContact CG-CD2 4.47Å; I428-L600 HydrophobicContact CB-CD1 4.49Å; I428-L600 HydrophobicContact CG2-CD1 3.88Å; N429-L600 HydrophobicContact CB-CD1 4.33Å; N429-L600 HydrophobicContact CB-CD2 4.31Å; F432-L600 HydrophobicContact CD2-CD1 4.11Å; L600-H603 WeakPolarHBondContact O-CB 3.3Å; L600-H603 PolarHBondContact O-N 3.46Å; L600-L604 HydrophobicContact CG-CD1 4.47Å; L600-L604 WeakPolarHBondContact O-CG 3.34Å; L600-L604 PolarHBondContact O-N 3.11Å
601	L	67.6	Low	76.9	Confident	55 Å²	55	32.1 Å²	32.1	29%	0.288	17%	0.17	S	C	.	.	H	α-helix	trans	-65.8	-41.8	179.4	-176.1	65	0	0	0	111.6	V336 C599 H603 L604 H605	V336-L601 HydrophobicContact CG2-CD1 4.5Å; C599-L601 PolarHBondContact O-N 3.46Å; L601-H603 VanDerWaalsContact C-N 3.32Å; L601-H603 PolarHBondContact O-N 3.31Å; L601-L604 PolarHBondContact O-N 3.08Å; L601-H605 WeakPolarHBondContact CG-NE2 3.37Å; L601-H605 PolarHBondContact O-CD2 2.65Å; L601-H605 VanDerWaalsContact O-CD2 3.31Å; L601-H605 PolarHBondContact O-N 2.85Å
602	D	69.6	Low	76.3	Confident	50 Å²	50	32.1 Å²	32.1	27%	0.267	17%	0.17	S	C	.	.	H	α-helix	trans	-62.4	-41.1	176.8	-56.5	-42.9	0	0	0	111.3	R598 C599 H605 S606	R598-D602 HydrophobicContact CB-CB 4.47Å; R598-D602 PolarHBondContact NH2-O 3.44Å; C599-D602 PolarHBondContact N-OD2 3.37Å; C599-D602 PolarHBondContact O-N 3.09Å; C599-D602 PolarHBondContact SG-OD2 3.05Å; D602-H605 PolarHBondContact O-N 3.32Å; D602-S606 PolarHBondContact O-N 3.42Å; D602-S606 VanDerWaalsContact O-N 3.08Å
603	H	72.4	Confident	75.9	Confident	18 Å²	18	31.7 Å²	31.7	8%	0.083	17%	0.167	C	C	.	.	H	α-helix	trans	-60.8	-46.4	175.1	-72.3	102.5	0	0	0	111.8	F432 R598 C599 L600 L601 H605 S606 L607	F432-H603 HydrophobicContact CD1-CB 4.32Å; F432-H603 AromaticContact CD1-CD2 3.51Å; F432-H603 HydrophobicContact CD2-CB 4.19Å; F432-H603 HydrophobicContact CE1-CB 3.95Å; F432-H603 AromaticContact CE1-CD2 3.6Å; F432-H603 HydrophobicContact CE2-CB 3.8Å; F432-H603 HydrophobicContact CG-CB 4.45Å; F432-H603 HydrophobicContact CZ-CB 3.68Å; R598-H603 VanDerWaalsContact CB-CE1 3.4Å; R598-H603 WeakPolarHBondContact CB-CE1 3.33Å; C599-H603 PolarHBondContact O-N 2.92Å; C599-H603 PolarHBondContact O-ND1 3.01Å; L600-H603 WeakPolarHBondContact O-CB 3.3Å; L600-H603 PolarHBondContact O-N 3.46Å; L601-H603 VanDerWaalsContact C-N 3.32Å; L601-H603 PolarHBondContact O-N 3.31Å; H603-H605 VanDerWaalsContact C-N 3.31Å; H603-H605 PolarHBondContact O-N 3.28Å; H603-S606 WeakPolarHBondContact O-CB 3.41Å; H603-S606 PolarHBondContact O-N 3.16Å; H603-L607 PolarHBondContact O-N 2.89Å
604	L	70	Confident	75.2	Confident	2 Å²	2	28 Å²	28	1%	0.01	15%	0.147	C	C	.	.	H	α-helix	trans	-60.9	-39.4	175.6	-69.4	171.4	0	0	0	111.9	V336 V337 L340 I428 L600 L601 S606 L607 L608	V336-L604 HydrophobicContact CG1-CB 4.22Å; V337-L604 HydrophobicContact CG2-CD1 4.36Å; L340-L604 HydrophobicContact CD1-CD2 4.47Å; I428-L604 HydrophobicContact CG2-CD2 4.31Å; L600-L604 HydrophobicContact CG-CD1 4.47Å; L600-L604 WeakPolarHBondContact O-CG 3.34Å; L600-L604 PolarHBondContact O-N 3.11Å; L601-L604 PolarHBondContact O-N 3.08Å; L604-S606 VanDerWaalsContact C-N 3.33Å; L604-S606 PolarHBondContact O-N 3.34Å; L604-L607 PolarHBondContact O-N 3.04Å; L604-L607 VanDerWaalsContact O-N 3.11Å; L604-L608 PolarHBondContact O-N 2.9Å
605	H	69.8	Low	74.5	Confident	21 Å²	21	26.1 Å²	26.1	10%	0.097	14%	0.14	C	C	.	.	H	α-helix	trans	-62.6	-36.7	175.3	-68.5	-33.3	0	0	0	113.2	Y511 L601 D602 H603 L607 L608 L669	Y511-H605 HydrophobicContact CD1-CB 4.38Å; Y511-H605 HydrophobicContact CE1-CB 4.28Å; L601-H605 WeakPolarHBondContact CG-NE2 3.37Å; L601-H605 PolarHBondContact O-CD2 2.65Å; L601-H605 VanDerWaalsContact O-CD2 3.31Å; L601-H605 PolarHBondContact O-N 2.85Å; D602-H605 PolarHBondContact O-N 3.32Å; H603-H605 VanDerWaalsContact C-N 3.31Å; H603-H605 PolarHBondContact O-N 3.28Å; H605-L607 VanDerWaalsContact C-N 3.26Å; H605-L607 PolarHBondContact O-N 3.45Å; H605-L608 HydrophobicContact CB-CD1 4.48Å; H605-L608 WeakPolarHBondContact O-CB 3.43Å; H605-L608 PolarHBondContact O-N 3.06Å; H605-L669 VanDerWaalsContact CE1-CD1 3.49Å; H605-L669 WeakPolarHBondContact CE1-CD1 3.28Å; H605-L669 WeakPolarHBondContact CE1-CD2 3.49Å; H605-L669 VanDerWaalsContact ND1-CD1 3.33Å; H605-L669 WeakPolarHBondContact ND1-CD1 3.46Å
606	S	74.2	Confident	74.2	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-66.2	-23	173.4	-75	0	0	0	0	113.9	Y511 R598 D602 H603 L604	Y511-S606 VanDerWaalsContact O-CB 3.25Å; Y511-S606 WeakPolarHBondContact O-CB 3.47Å; Y511-S606 PolarHBondContact O-OG 2.84Å; R598-S606 PolarHBondContact NH1-OG 2.86Å; R598-S606 VanDerWaalsContact NH1-OG 3.13Å; R598-S606 PolarHBondContact NH2-OG 3.09Å; D602-S606 PolarHBondContact O-N 3.42Å; D602-S606 VanDerWaalsContact O-N 3.08Å; H603-S606 WeakPolarHBondContact O-CB 3.41Å; H603-S606 PolarHBondContact O-N 3.16Å; L604-S606 VanDerWaalsContact C-N 3.33Å; L604-S606 PolarHBondContact O-N 3.34Å
607	L	74.7	Confident	73.8	Confident	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-82.2	-21	176.9	-59.2	179.5	0	0	0	113.3	I403 A407 I410 F432 H603 L604 H605 P609 H610 I611	I403-L607 HydrophobicContact CG2-CD2 3.68Å; A407-L607 HydrophobicContact CB-CB 4.22Å; A407-L607 HydrophobicContact CB-CD2 4.1Å; I410-L607 HydrophobicContact CD1-CD1 3.58Å; F432-L607 HydrophobicContact CZ-CD1 4.04Å; F432-L607 HydrophobicContact CZ-CG 4.44Å; H603-L607 PolarHBondContact O-N 2.89Å; L604-L607 PolarHBondContact O-N 3.04Å; L604-L607 VanDerWaalsContact O-N 3.11Å; H605-L607 VanDerWaalsContact C-N 3.26Å; H605-L607 PolarHBondContact O-N 3.45Å; L607-P609 VanDerWaalsContact C-CD 3.4Å; L607-H610 WeakPolarHBondContact O-CB 3.31Å; L607-H610 PolarHBondContact O-N 3.38Å; L607-I611 HydrophobicContact CB-CD1 3.8Å; L607-I611 HydrophobicContact CB-CG1 4.48Å; L607-I611 WeakPolarHBondContact O-CD1 3.19Å; L607-I611 WeakPolarHBondContact O-CG1 3.49Å; L607-I611 PolarHBondContact O-N 3.34Å
608	L	72.6	Confident	73	Confident	3 Å²	3	15.4 Å²	15.4	2%	0.016	8%	0.083	C	C	.	.	H	α-helix	trans	-49.2	-43.2	-173.3	-72.8	174.4	0	0	0	115.2	V336 L604 H605 H610 I611 I612 L669 F672 L676	V336-L608 HydrophobicContact CG1-CD2 4.2Å; L604-L608 PolarHBondContact O-N 2.9Å; H605-L608 HydrophobicContact CB-CD1 4.48Å; H605-L608 WeakPolarHBondContact O-CB 3.43Å; H605-L608 PolarHBondContact O-N 3.06Å; L608-H610 VanDerWaalsContact C-N 3.33Å; L608-H610 PolarHBondContact O-N 3.15Å; L608-I611 HydrophobicContact CD2-CD1 4.42Å; L608-I611 PolarHBondContact O-N 3.38Å; L608-I612 WeakPolarHBondContact O-CG1 3.37Å; L608-I612 PolarHBondContact O-N 3.44Å; L608-L669 HydrophobicContact CD1-CD1 3.46Å; L608-L669 VanDerWaalsContact CD1-CD1 3.46Å; L608-F672 HydrophobicContact CB-CB 4.4Å; L608-F672 HydrophobicContact CB-CD2 4.44Å; L608-F672 HydrophobicContact CB-CG 4.34Å; L608-F672 HydrophobicContact CD1-CB 4.17Å; L608-F672 HydrophobicContact CD1-CD2 4.44Å; L608-L676 HydrophobicContact CD2-CD1 3.84Å
609	P	75.4	Confident	72.9	Confident	1 Å²	1	14.4 Å²	14.4	1%	0.006	8%	0.079	C	C	.	.	H	α-helix	trans	-69.6	-31.2	-180	-15.3	29.9	0	0	0	112.7	L396 P397 W489 L607 L613 F672	L396-P609 HydrophobicContact CD2-CB 4.27Å; P397-P609 HydrophobicContact CG-CB 3.76Å; W489-P609 HydrophobicContact CD2-CG 4.4Å; W489-P609 HydrophobicContact CE3-CG 4.11Å; W489-P609 HydrophobicContact CH2-CG 3.6Å; W489-P609 HydrophobicContact CZ2-CG 3.91Å; W489-P609 HydrophobicContact CZ3-CG 3.71Å; L607-P609 VanDerWaalsContact C-CD 3.4Å; P609-L613 WeakPolarHBondContact O-CB 3.43Å; P609-L613 PolarHBondContact O-N 3.25Å; P609-F672 HydrophobicContact CB-CE1 4.25Å; P609-F672 HydrophobicContact CB-CZ 4.4Å; P609-F672 HydrophobicContact CG-CE1 3.96Å; P609-F672 HydrophobicContact CG-CE2 4.28Å; P609-F672 HydrophobicContact CG-CZ 3.68Å
610	H	75.6	Confident	73.1	Confident	1 Å²	1	13.6 Å²	13.6	1%	0.005	7%	0.069	C	C	.	.	H	α-helix	trans	-70.7	-39.9	175	-61.2	-89.1	0	0	0	111.3	P397 I403 H404 A407 D514 L607 L608 L613 E614	P397-H610 WeakPolarHBondContact CB-CE1 2.91Å; I403-H610 WeakPolarHBondContact CG2-NE2 3.41Å; H404-H610 VanDerWaalsContact CA-ND1 3.33Å; H404-H610 WeakPolarHBondContact CA-ND1 3.42Å; H404-H610 WeakPolarHBondContact CB-ND1 3.31Å; H404-H610 VanDerWaalsContact CE1-C 3.46Å; H404-H610 WeakPolarHBondContact CE1-CA 3.34Å; H404-H610 WeakPolarHBondContact CE1-CB 3.39Å; H404-H610 AromaticContact CE1-CG 3.14Å; H404-H610 AromaticContact CE1-ND1 2.88Å; H404-H610 PolarHBondContact CE1-ND1 2.9Å; H404-H610 PolarHBondContact CE1-O 3.3Å; H404-H610 VanDerWaalsContact CE1-O 3.23Å; H404-H610 AromaticContact CG-ND1 3.9Å; H404-H610 PolarHBondContact N-ND1 2.87Å; H404-H610 AromaticContact ND1-ND1 3.62Å; H404-H610 PolarHBondContact NE2-O 2.87Å; A407-H610 HydrophobicContact CB-CB 3.62Å; D514-H610 IonicContact OD2-CE1 3.61Å; D514-H610 PolarHBondContact OD2-CE1 3.37Å; D514-H610 VanDerWaalsContact OD2-CE1 3.29Å; D514-H610 IonicContact OD2-NE2 2.97Å; L607-H610 WeakPolarHBondContact O-CB 3.31Å; L607-H610 PolarHBondContact O-N 3.38Å; L608-H610 VanDerWaalsContact C-N 3.33Å; L608-H610 PolarHBondContact O-N 3.15Å; H610-L613 PolarHBondContact O-N 3.12Å; H610-E614 WeakPolarHBondContact O-CB 3.47Å; H610-E614 PolarHBondContact O-N 3.33Å
611	I	72.1	Confident	73	Confident	10 Å²	10	12.1 Å²	12.1	5%	0.051	6%	0.061	C	C	.	.	H	α-helix	trans	-61	-46.7	174.1	-64.6	152.9	0	0	0	109.8	L340 A407 L607 L608 E614 C615	L340-I611 HydrophobicContact CD1-CD1 4.21Å; L340-I611 HydrophobicContact CD2-CB 4.45Å; L340-I611 HydrophobicContact CD2-CD1 3.39Å; L340-I611 HydrophobicContact CD2-CG1 3.67Å; L340-I611 HydrophobicContact CD2-CG2 3.91Å; L340-I611 HydrophobicContact CG-CD1 3.95Å; A407-I611 HydrophobicContact CB-CG1 4.29Å; L607-I611 HydrophobicContact CB-CD1 3.8Å; L607-I611 HydrophobicContact CB-CG1 4.48Å; L607-I611 WeakPolarHBondContact O-CD1 3.19Å; L607-I611 WeakPolarHBondContact O-CG1 3.49Å; L607-I611 PolarHBondContact O-N 3.34Å; L608-I611 HydrophobicContact CD2-CD1 4.42Å; L608-I611 PolarHBondContact O-N 3.38Å; I611-E614 PolarHBondContact O-N 3.11Å; I611-C615 WeakPolarHBondContact O-CB 3.17Å; I611-C615 PolarHBondContact O-N 3.19Å; I611-C615 PolarHBondContact O-SG 3.3Å
612	I	74.7	Confident	73.1	Confident	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-63	-41.5	176.8	-72	164.4	0	0	0	111.9	L396 L608 E614 C615 M616 F672 I675 L676 I679	L396-I612 HydrophobicContact CD1-CG2 4.31Å; L396-I612 HydrophobicContact CD2-CG2 4.45Å; L608-I612 WeakPolarHBondContact O-CG1 3.37Å; L608-I612 PolarHBondContact O-N 3.44Å; I612-E614 VanDerWaalsContact C-N 3.34Å; I612-C615 VanDerWaalsContact O-CB 3.27Å; I612-C615 WeakPolarHBondContact O-CB 3.45Å; I612-C615 PolarHBondContact O-N 3.3Å; I612-M616 HydrophobicContact CG2-SD 4.26Å; I612-M616 WeakPolarHBondContact O-CG 3.39Å; I612-M616 PolarHBondContact O-N 3.34Å; I612-M616 VanDerWaalsContact O-N 3.09Å; I612-F672 HydrophobicContact CD1-CB 4.06Å; I612-F672 HydrophobicContact CD1-CD1 3.53Å; I612-F672 HydrophobicContact CD1-CE1 4.42Å; I612-F672 HydrophobicContact CD1-CG 4.2Å; I612-I675 HydrophobicContact CB-CG2 4.48Å; I612-I675 HydrophobicContact CD1-CB 4.19Å; I612-I675 HydrophobicContact CD1-CG2 3.76Å; I612-I675 HydrophobicContact CG1-CG2 3.96Å; I612-I675 HydrophobicContact CG2-CG2 3.68Å; I612-L676 HydrophobicContact CD1-CG 4.28Å; I612-L676 HydrophobicContact CG1-CD2 3.99Å; I612-L676 HydrophobicContact CG1-CG 4.14Å; I612-I679 HydrophobicContact CG1-CD1 4.37Å; I612-I679 HydrophobicContact CG2-CD1 4.22Å
613	L	77.3	Confident	73.3	Confident	0 Å²	0	10 Å²	10	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-61.5	-44.7	175.9	178.4	59.9	0	0	0	111.5	F390 A391 L396 P397 P399 H404 P609 H610 M616 F617	F390-L613 HydrophobicContact CD1-CD1 4.28Å; A391-L613 HydrophobicContact CB-CD1 3.78Å; A391-L613 HydrophobicContact CB-CD2 3.94Å; L396-L613 HydrophobicContact CB-CB 4.34Å; L396-L613 HydrophobicContact CB-CD1 4.16Å; L396-L613 HydrophobicContact CB-CD2 4.44Å; L396-L613 HydrophobicContact CD1-CB 4.05Å; L396-L613 HydrophobicContact CD1-CD1 3.94Å; P397-L613 WeakPolarHBondContact O-CD2 3.49Å; P399-L613 HydrophobicContact CB-CD2 4.04Å; H404-L613 WeakPolarHBondContact NE2-CB 3.06Å; P609-L613 WeakPolarHBondContact O-CB 3.43Å; P609-L613 PolarHBondContact O-N 3.25Å; H610-L613 PolarHBondContact O-N 3.12Å; L613-M616 PolarHBondContact O-N 3.44Å; L613-F617 HydrophobicContact CD1-CD2 4.43Å; L613-F617 HydrophobicContact CD1-CE1 4.31Å; L613-F617 HydrophobicContact CD1-CE2 3.75Å; L613-F617 HydrophobicContact CD1-CZ 3.67Å; L613-F617 HydrophobicContact CD2-CE2 4.02Å; L613-F617 HydrophobicContact CD2-CZ 4.39Å; L613-F617 HydrophobicContact CG-CD2 4.14Å; L613-F617 HydrophobicContact CG-CE2 3.53Å; L613-F617 HydrophobicContact CG-CZ 3.97Å; L613-F617 WeakPolarHBondContact O-CD2 3.39Å; L613-F617 PolarHBondContact O-N 3.14Å
614	E	73.1	Confident	73.6	Confident	14 Å²	14	9.7 Å²	9.7	7%	0.065	5%	0.052	C	C	.	.	H	α-helix	trans	-65	-43.4	177.2	-164.8	43.7	-138.3	0	0	110.2	F344 H404 V408 H610 I611 I612 M616 F617 T618	F344-E614 HydrophobicContact CD1-CG 3.52Å; F344-E614 VanDerWaalsContact CE1-C 3.49Å; F344-E614 HydrophobicContact CE1-CB 4.14Å; F344-E614 HydrophobicContact CE1-CG 3.41Å; F344-E614 VanDerWaalsContact CE1-CG 3.41Å; F344-E614 WeakPolarHBondContact CE1-O 3.47Å; F344-E614 VanDerWaalsContact CE1-OE1 3.31Å; F344-E614 WeakPolarHBondContact CE1-OE1 3.44Å; F344-E614 HydrophobicContact CG-CG 4.2Å; F344-E614 HydrophobicContact CZ-CB 4.39Å; F344-E614 HydrophobicContact CZ-CG 4.13Å; F344-E614 WeakPolarHBondContact CZ-O 3.39Å; H404-E614 WeakPolarHBondContact NE2-CA 3.41Å; H404-E614 WeakPolarHBondContact NE2-CB 3.45Å; H404-E614 PolarHBondContact NE2-N 2.86Å; H404-E614 IonicContact NE2-OE2 2.74Å; H404-E614 PolarHBondContact NE2-OE2 2.84Å; V408-E614 HydrophobicContact CB-CG 4.5Å; V408-E614 HydrophobicContact CG1-CG 4.06Å; V408-E614 HydrophobicContact CG2-CB 4.47Å; V408-E614 HydrophobicContact CG2-CG 3.74Å; H610-E614 WeakPolarHBondContact O-CB 3.47Å; H610-E614 PolarHBondContact O-N 3.33Å; I611-E614 PolarHBondContact O-N 3.11Å; I612-E614 VanDerWaalsContact C-N 3.34Å; E614-M616 VanDerWaalsContact C-N 3.27Å; E614-M616 PolarHBondContact O-N 2.85Å; E614-F617 WeakPolarHBondContact O-CA 3.47Å; E614-F617 PolarHBondContact O-N 2.95Å; E614-T618 PolarHBondContact O-N 3.28Å
615	C	71.8	Confident	74	Confident	4 Å²	4	11.2 Å²	11.2	3%	0.027	6%	0.059	C	C	.	.	H	α-helix	trans	-42.8	-52.5	168.5	-72.1	0	0	0	0	112.2	L343 F344 I611 I612 F619 I679	L343-C615 HydrophobicContact CD1-CB 4.26Å; F344-C615 HydrophobicContact CE2-CB 4.09Å; F344-C615 HydrophobicContact CZ-CB 4.43Å; I611-C615 WeakPolarHBondContact O-CB 3.17Å; I611-C615 PolarHBondContact O-N 3.19Å; I611-C615 PolarHBondContact O-SG 3.3Å; I612-C615 VanDerWaalsContact O-CB 3.27Å; I612-C615 WeakPolarHBondContact O-CB 3.45Å; I612-C615 PolarHBondContact O-N 3.3Å; C615-F619 WeakPolarHBondContact O-CD2 3.18Å; C615-F619 PolarHBondContact O-N 3.21Å; C615-I679 HydrophobicContact CB-CD1 3.86Å; C615-I679 HydrophobicContact CB-CG2 4.17Å
616	M	76.1	Confident	74.5	Confident	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-66.5	-43.4	180	-62.4	170.6	74.6	0	0	111.3	F390 F394 L396 I612 L613 E614 T618 F619 H620 I643	F390-M616 HydrophobicContact CE1-CB 3.81Å; F390-M616 HydrophobicContact CE1-CE 4.08Å; F390-M616 HydrophobicContact CZ-CB 4.05Å; F390-M616 HydrophobicContact CZ-CE 3.95Å; F394-M616 HydrophobicContact CD1-CE 3.78Å; F394-M616 HydrophobicContact CD2-CE 3.68Å; F394-M616 HydrophobicContact CE1-CE 3.52Å; F394-M616 HydrophobicContact CE2-CE 3.44Å; F394-M616 VanDerWaalsContact CE2-CE 3.44Å; F394-M616 HydrophobicContact CG-CE 3.85Å; F394-M616 HydrophobicContact CZ-CE 3.35Å; L396-M616 HydrophobicContact CD1-SD 3.86Å; I612-M616 HydrophobicContact CG2-SD 4.26Å; I612-M616 WeakPolarHBondContact O-CG 3.39Å; I612-M616 PolarHBondContact O-N 3.34Å; I612-M616 VanDerWaalsContact O-N 3.09Å; L613-M616 PolarHBondContact O-N 3.44Å; E614-M616 VanDerWaalsContact C-N 3.27Å; E614-M616 PolarHBondContact O-N 2.85Å; M616-T618 PolarHBondContact O-N 3.04Å; M616-F619 PolarHBondContact O-N 2.79Å; M616-H620 WeakPolarHBondContact O-CB 3.25Å; M616-H620 PolarHBondContact O-CD2 3.32Å; M616-H620 VanDerWaalsContact O-CD2 3.24Å; M616-H620 PolarHBondContact O-N 3.39Å; M616-I643 HydrophobicContact CE-CD1 4.17Å; M616-I643 HydrophobicContact CE-CG2 4.21Å; M616-I643 HydrophobicContact CG-CD1 4.08Å; M616-I643 HydrophobicContact SD-CD1 3.94Å; M616-I643 HydrophobicContact SD-CG2 4.1Å
617	F	74.9	Confident	74.8	Confident	4 Å²	4	18.6 Å²	18.6	2%	0.018	10%	0.099	C	C	.	.	H	α-helix	trans	-60.1	-39.8	177.5	-70.6	-41.7	0	0	0	114.1	I381 R387 F390 P399 L613 E614 H620 S621	I381-F617 HydrophobicContact CD1-CB 4.36Å; R387-F617 HydrophobicContact CB-CE1 4.08Å; R387-F617 HydrophobicContact CB-CZ 3.78Å; R387-F617 HydrophobicContact CG-CE1 4.22Å; R387-F617 HydrophobicContact CG-CZ 4.23Å; F390-F617 HydrophobicContact CB-CE1 4.19Å; F390-F617 HydrophobicContact CD1-CD1 4.06Å; F390-F617 AromaticContact CD1-CE1 3.52Å; F390-F617 HydrophobicContact CD1-CE1 3.52Å; F390-F617 HydrophobicContact CD1-CZ 4.27Å; F390-F617 HydrophobicContact CE1-CD1 4.34Å; F390-F617 HydrophobicContact CE1-CE1 4.22Å; F390-F617 HydrophobicContact CG-CE1 4.08Å; P399-F617 HydrophobicContact CB-CE2 3.68Å; P399-F617 HydrophobicContact CB-CZ 3.98Å; P399-F617 HydrophobicContact CG-CE2 4.38Å; P399-F617 HydrophobicContact CG-CZ 4.18Å; L613-F617 HydrophobicContact CD1-CD2 4.43Å; L613-F617 HydrophobicContact CD1-CE1 4.31Å; L613-F617 HydrophobicContact CD1-CE2 3.75Å; L613-F617 HydrophobicContact CD1-CZ 3.67Å; L613-F617 HydrophobicContact CD2-CE2 4.02Å; L613-F617 HydrophobicContact CD2-CZ 4.39Å; L613-F617 HydrophobicContact CG-CD2 4.14Å; L613-F617 HydrophobicContact CG-CE2 3.53Å; L613-F617 HydrophobicContact CG-CZ 3.97Å; L613-F617 WeakPolarHBondContact O-CD2 3.39Å; L613-F617 PolarHBondContact O-N 3.14Å; E614-F617 WeakPolarHBondContact O-CA 3.47Å; E614-F617 PolarHBondContact O-N 2.95Å; F617-H620 PolarHBondContact O-N 3.21Å; F617-S621 WeakPolarHBondContact O-CB 3.43Å; F617-S621 PolarHBondContact O-N 3.43Å; F617-S621 PolarHBondContact O-OG 3.35Å
618	T	67.2	Low	75.2	Confident	12 Å²	12	18.7 Å²	18.7	7%	0.074	10%	0.099	C	C	.	.	H	α-helix	trans	-62.3	-47.3	175.3	-83.5	0	0	0	0	111.2	F344 R378 E614 M616 H620 S621 L622	F344-T618 VanDerWaalsContact CE1-CB 3.49Å; F344-T618 WeakPolarHBondContact CE1-OG1 3.2Å; F344-T618 VanDerWaalsContact CZ-CB 3.46Å; F344-T618 HydrophobicContact CZ-CG2 4.44Å; F344-T618 WeakPolarHBondContact CZ-OG1 3.29Å; R378-T618 PolarHBondContact NH2-OG1 2.95Å; E614-T618 PolarHBondContact O-N 3.28Å; M616-T618 PolarHBondContact O-N 3.04Å; T618-H620 PolarHBondContact O-N 3.29Å; T618-S621 WeakPolarHBondContact CA-OG 3.24Å; T618-S621 PolarHBondContact O-N 2.81Å; T618-S621 VanDerWaalsContact O-N 3.12Å; T618-S621 PolarHBondContact O-OG 2.98Å; T618-L622 WeakPolarHBondContact O-CG 3.44Å; T618-L622 PolarHBondContact O-N 3.45Å
619	F	74.6	Confident	75.6	Confident	7 Å²	7	20.6 Å²	20.6	3%	0.031	11%	0.113	C	C	.	.	H	α-helix	trans	-65.1	-39.4	-179.7	-60.6	-50.7	0	0	0	112.9	L343 C615 M616 S621 L622 Y632 L636 L639 I679 F682 S683	L343-F619 HydrophobicContact CD1-CE2 3.85Å; L343-F619 HydrophobicContact CD1-CZ 3.59Å; L343-F619 HydrophobicContact CD2-CE1 3.92Å; L343-F619 HydrophobicContact CD2-CZ 3.53Å; L343-F619 HydrophobicContact CG-CZ 4.22Å; C615-F619 WeakPolarHBondContact O-CD2 3.18Å; C615-F619 PolarHBondContact O-N 3.21Å; M616-F619 PolarHBondContact O-N 2.79Å; F619-S621 VanDerWaalsContact C-N 3.29Å; F619-S621 PolarHBondContact O-N 3.23Å; F619-L622 HydrophobicContact CD1-CD1 4.44Å; F619-L622 PolarHBondContact O-N 3.16Å; F619-Y632 WeakPolarHBondContact CA-OH 3.46Å; F619-Y632 PolarHBondContact O-OH 2.8Å; F619-L636 HydrophobicContact CB-CD1 3.77Å; F619-L639 HydrophobicContact CD2-CD2 3.88Å; F619-L639 HydrophobicContact CE2-CD2 4.37Å; F619-I679 HydrophobicContact CE2-CG2 4.18Å; F619-F682 HydrophobicContact CB-CE1 4.24Å; F619-F682 HydrophobicContact CB-CZ 4.48Å; F619-F682 AromaticContact CD1-CD1 3.96Å; F619-F682 HydrophobicContact CD1-CD1 3.96Å; F619-F682 AromaticContact CD1-CE1 3.42Å; F619-F682 HydrophobicContact CD1-CE1 3.42Å; F619-F682 VanDerWaalsContact CD1-CE1 3.42Å; F619-F682 HydrophobicContact CD1-CZ 4.38Å; F619-F682 HydrophobicContact CD2-CD1 4.18Å; F619-F682 HydrophobicContact CD2-CE1 4.12Å; F619-F682 AromaticContact CE1-CD1 3.74Å; F619-F682 HydrophobicContact CE1-CD1 3.74Å; F619-F682 AromaticContact CE1-CE1 3.65Å; F619-F682 HydrophobicContact CE1-CE1 3.65Å; F619-F682 AromaticContact CE2-CD1 3.98Å; F619-F682 HydrophobicContact CE2-CD1 3.98Å; F619-F682 HydrophobicContact CE2-CE1 4.31Å; F619-F682 HydrophobicContact CG-CD1 4.17Å; F619-F682 AromaticContact CG-CE1 3.67Å; F619-F682 HydrophobicContact CG-CE1 3.67Å; F619-F682 HydrophobicContact CG-CZ 4.36Å; F619-F682 AromaticContact CZ-CD1 3.74Å; F619-F682 HydrophobicContact CZ-CD1 3.74Å; F619-F682 HydrophobicContact CZ-CE1 4.09Å; F619-S683 WeakPolarHBondContact CZ-OG 3.39Å
620	H	80.2	Confident	76	Confident	47 Å²	47	29.5 Å²	29.5	22%	0.218	15%	0.151	C	C	.	.	H	α-helix	trans	-68.8	-25.3	173.8	-80.8	-92.2	0	0	0	113	F390 M616 F617 T618 L622 D640	F390-H620 AromaticContact CE2-CD2 3.87Å; F390-H620 AromaticContact CE2-CE1 3.67Å; F390-H620 AromaticContact CE2-CG 3.97Å; F390-H620 AromaticContact CE2-ND1 3.86Å; F390-H620 AromaticContact CE2-NE2 3.67Å; F390-H620 AromaticContact CZ-CD2 3.54Å; F390-H620 AromaticContact CZ-NE2 3.56Å; M616-H620 WeakPolarHBondContact O-CB 3.25Å; M616-H620 PolarHBondContact O-CD2 3.32Å; M616-H620 VanDerWaalsContact O-CD2 3.24Å; M616-H620 PolarHBondContact O-N 3.39Å; F617-H620 PolarHBondContact O-N 3.21Å; T618-H620 PolarHBondContact O-N 3.29Å; H620-L622 VanDerWaalsContact C-N 3.35Å; H620-D640 IonicContact CD2-OD1 2.71Å; H620-D640 IonicContact CE1-OD1 3.64Å; H620-D640 IonicContact CE1-OD2 3.82Å; H620-D640 PolarHBondContact CE1-OD2 3.5Å; H620-D640 VanDerWaalsContact NE2-CG 3.34Å; H620-D640 IonicContact NE2-OD1 2.72Å; H620-D640 PolarHBondContact NE2-OD1 3.05Å; H620-D640 IonicContact NE2-OD2 3.61Å; H620-D640 PolarHBondContact NE2-OD2 3.34Å; H620-D640 VanDerWaalsContact NE2-OD2 3.13Å
621	S	69.5	Low	76.3	Confident	5 Å²	5	30.5 Å²	30.5	4%	0.035	16%	0.155	C	C	.	.	H	α-helix	trans	-77.9	-14.5	176.2	77.5	0	0	0	0	114.9	R378 Q379 F617 T618 F619	R378-S621 WeakPolarHBondContact CA-O 3.44Å; R378-S621 WeakPolarHBondContact CG-OG 3.48Å; R378-S621 PolarHBondContact NE-OG 3.42Å; Q379-S621 PolarHBondContact N-O 2.94Å; F617-S621 WeakPolarHBondContact O-CB 3.43Å; F617-S621 PolarHBondContact O-N 3.43Å; F617-S621 PolarHBondContact O-OG 3.35Å; T618-S621 WeakPolarHBondContact CA-OG 3.24Å; T618-S621 PolarHBondContact O-N 2.81Å; T618-S621 VanDerWaalsContact O-N 3.12Å; T618-S621 PolarHBondContact O-OG 2.98Å; F619-S621 VanDerWaalsContact C-N 3.29Å; F619-S621 PolarHBondContact O-N 3.23Å
622	L	70.4	Confident	76.9	Confident	14 Å²	14	30.1 Å²	30.1	7%	0.073	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	116.6	-178.5	-72.5	171.8	0	0	0	111.1	L357 W376 T618 F619 H620 P624 Y632 F686	L357-L622 HydrophobicContact CD2-CD2 3.88Å; W376-L622 HydrophobicContact CB-CD2 4.43Å; W376-L622 HydrophobicContact CE3-CB 4.28Å; T618-L622 WeakPolarHBondContact O-CG 3.44Å; T618-L622 PolarHBondContact O-N 3.45Å; F619-L622 HydrophobicContact CD1-CD1 4.44Å; F619-L622 PolarHBondContact O-N 3.16Å; H620-L622 VanDerWaalsContact C-N 3.35Å; L622-P624 WeakPolarHBondContact O-CD 3.47Å; L622-Y632 HydrophobicContact CB-CE1 4.24Å; L622-Y632 WeakPolarHBondContact O-CE1 3.33Å; L622-F686 HydrophobicContact CD1-CE2 4.39Å; L622-F686 HydrophobicContact CD1-CZ 4.08Å
623	V	72.7	Confident	77.4	Confident	46 Å²	46	32.8 Å²	32.8	28%	0.279	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	107.6	171.4	-179.2	0	0	0	0	109.2	K377 Q379	K377-V623 HydrophobicContact CB-CB 4.19Å; K377-V623 PolarHBondContact N-O 2.91Å; K377-V623 PolarHBondContact O-N 3.32Å; Q379-V623 HydrophobicContact CB-CG2 4.33Å; Q379-V623 HydrophobicContact CG-CG2 3.7Å
624	P	79.5	Confident	77.8	Confident	13 Å²	13	36.7 Å²	36.7	8%	0.084	20%	0.199	C	C	.	.			trans	-66.2	166.5	172.6	24.1	-33.7	0	0	0	113.2	W376 L622 L628 C629 Y632	W376-P624 HydrophobicContact CE3-CB 3.99Å; W376-P624 HydrophobicContact CH2-CB 3.86Å; W376-P624 HydrophobicContact CZ3-CB 3.44Å; W376-P624 VanDerWaalsContact CZ3-CB 3.44Å; W376-P624 HydrophobicContact CZ3-CG 4.23Å; L622-P624 WeakPolarHBondContact O-CD 3.47Å; P624-L628 HydrophobicContact CB-CB 4Å; P624-C629 HydrophobicContact CG-CB 4.26Å; P624-Y632 HydrophobicContact CB-CG 4.5Å; P624-Y632 HydrophobicContact CG-CD1 3.86Å; P624-Y632 HydrophobicContact CG-CG 4.14Å
625	H	77.8	Confident	78.3	Confident	34 Å²	34	36.5 Å²	36.5	16%	0.157	20%	0.198	C	C	.	.			trans	-58.7	144.3	163.6	-169.9	-103.5	0	0	0	111.2	E372 L373 R627 L628 C629	E372-H625 IonicContact OE1-CE1 3.13Å; E372-H625 PolarHBondContact OE1-CE1 2.95Å; E372-H625 VanDerWaalsContact OE1-CE1 3.3Å; E372-H625 IonicContact OE1-NE2 2.82Å; E372-H625 IonicContact OE2-NE2 3.29Å; L373-H625 HydrophobicContact CD2-CB 4.25Å; L373-H625 WeakPolarHBondContact CD2-ND1 3.44Å; H625-R627 PolarHBondContact O-N 2.97Å; H625-L628 HydrophobicContact CB-CD1 4.42Å; H625-L628 WeakPolarHBondContact O-CA 3.35Å; H625-L628 WeakPolarHBondContact O-CB 3.4Å; H625-L628 PolarHBondContact O-N 3.31Å; H625-C629 PolarHBondContact O-N 2.82Å; H625-C629 PolarHBondContact O-SG 3.48Å
626	P	79.3	Confident	78.9	Confident	103 Å²	103	37.1 Å²	37.1	67%	0.669	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.3	-34.4	-177.1	-33.2	37.9	0	0	0	116.1	L628 C629	P626-L628 PolarHBondContact O-N 2.77Å; P626-C629 VanDerWaalsContact CA-SG 3.56Å
627	R	80.7	Confident	79.4	Confident	73 Å²	73	42.9 Å²	42.9	28%	0.275	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-19.9	176.9	-64.6	176.6	65.1	-148.6	-6.7	113.4	L373 H625 L705 D706 D708 L711	L373-R627 HydrophobicContact CD2-CB 4.26Å; H625-R627 PolarHBondContact O-N 2.97Å; R627-L705 VanDerWaalsContact CZ-O 3.27Å; R627-L705 PolarHBondContact NH1-O 3.46Å; R627-L705 PolarHBondContact NH2-O 3.05Å; R627-D706 PolarHBondContact NH2-O 2.92Å; R627-D708 IonicContact CZ-OD1 2.75Å; R627-D708 VanDerWaalsContact CZ-OD1 3.23Å; R627-D708 IonicContact NE-OD1 3.54Å; R627-D708 PolarHBondContact NE-OD1 3.47Å; R627-D708 IonicContact NH2-OD1 2.95Å; R627-D708 PolarHBondContact NH2-OD1 2.91Å; R627-L711 HydrophobicContact CB-CD2 4.16Å
628	L	83.3	Confident	79.9	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.005	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-17.6	-178.5	-63	178.3	0	0	0	113.9	L373 W376 P624 H625 P626 K630 W631 Y632 F689 L711	L373-L628 HydrophobicContact CB-CD1 4.39Å; L373-L628 HydrophobicContact CD2-CD1 4.17Å; L373-L628 HydrophobicContact CD2-CG 4.12Å; W376-L628 HydrophobicContact CZ2-CD1 4.45Å; P624-L628 HydrophobicContact CB-CB 4Å; H625-L628 HydrophobicContact CB-CD1 4.42Å; H625-L628 WeakPolarHBondContact O-CA 3.35Å; H625-L628 WeakPolarHBondContact O-CB 3.4Å; H625-L628 PolarHBondContact O-N 3.31Å; P626-L628 PolarHBondContact O-N 2.77Å; L628-K630 VanDerWaalsContact C-N 3.28Å; L628-K630 PolarHBondContact O-N 3.07Å; L628-K630 VanDerWaalsContact O-N 3.16Å; L628-W631 PolarHBondContact O-N 2.81Å; L628-Y632 PolarHBondContact O-N 2.68Å; L628-F689 HydrophobicContact CD1-CE1 3.75Å; L628-F689 HydrophobicContact CD1-CZ 4Å; L628-F689 HydrophobicContact CD2-CE1 4.12Å; L628-F689 HydrophobicContact CD2-CZ 3.55Å; L628-F689 HydrophobicContact CG-CZ 4.43Å; L628-L711 HydrophobicContact CD2-CD1 4.01Å; L628-L711 HydrophobicContact CD2-CD2 3.76Å; L628-L711 HydrophobicContact CD2-CG 3.89Å
629	C	82.4	Confident	80.7	Confident	44 Å²	44	46.8 Å²	46.8	30%	0.297	24%	0.242	S	C	.	.	H	α-helix	trans	-46.7	-48.9	-179.6	-62.6	0	0	0	0	112.8	P624 H625 P626 W631 Y632 S633	P624-C629 HydrophobicContact CG-CB 4.26Å; H625-C629 PolarHBondContact O-N 2.82Å; H625-C629 PolarHBondContact O-SG 3.48Å; P626-C629 VanDerWaalsContact CA-SG 3.56Å; C629-W631 VanDerWaalsContact C-N 3.32Å; C629-W631 PolarHBondContact O-N 3.44Å; C629-Y632 PolarHBondContact O-N 3.33Å; C629-S633 VanDerWaalsContact O-CB 3.29Å; C629-S633 WeakPolarHBondContact O-CB 3.49Å; C629-S633 PolarHBondContact O-N 3.24Å; C629-S633 PolarHBondContact O-OG 3.44Å
630	K	82.6	Confident	81.3	Confident	187 Å²	187	47.3 Å²	47.3	81%	0.813	25%	0.245	S	C	*	.	H	α-helix	trans	-61.6	-36.1	-179	-66.9	-176.2	-179.6	177.6	0	113.8	L628 S634	L628-K630 VanDerWaalsContact C-N 3.28Å; L628-K630 PolarHBondContact O-N 3.07Å; L628-K630 VanDerWaalsContact O-N 3.16Å; K630-S634 VanDerWaalsContact O-CB 3.28Å; K630-S634 WeakPolarHBondContact O-CB 3.43Å; K630-S634 PolarHBondContact O-N 2.88Å
631	W	83.1	Confident	81.5	Confident	22 Å²	22	48.3 Å²	48.3	8%	0.083	25%	0.25	C	S	.	.	H	α-helix	trans	-74.4	-50.5	176.7	165.1	71	0	0	0	110.5	W376 L628 C629 S634 M635 F689 C715 N719	W376-W631 HydrophobicContact CH2-CZ3 4.3Å; L628-W631 PolarHBondContact O-N 2.81Å; C629-W631 VanDerWaalsContact C-N 3.32Å; C629-W631 PolarHBondContact O-N 3.44Å; W631-S634 WeakPolarHBondContact O-CB 3.42Å; W631-S634 PolarHBondContact O-N 3.09Å; W631-S634 VanDerWaalsContact O-N 3.13Å; W631-M635 HydrophobicContact CH2-SD 4.04Å; W631-M635 HydrophobicContact CZ2-SD 3.67Å; W631-M635 PolarHBondContact O-N 2.9Å; W631-F689 HydrophobicContact CE3-CE1 4.32Å; W631-F689 HydrophobicContact CE3-CZ 4.39Å; W631-F689 HydrophobicContact CH2-CB 3.79Å; W631-F689 AromaticContact CH2-CD1 3.56Å; W631-F689 HydrophobicContact CH2-CD1 3.56Å; W631-F689 AromaticContact CH2-CD2 3.98Å; W631-F689 HydrophobicContact CH2-CD2 3.98Å; W631-F689 HydrophobicContact CH2-CE1 4.11Å; W631-F689 AromaticContact CH2-CG 3.47Å; W631-F689 HydrophobicContact CH2-CG 3.47Å; W631-F689 VanDerWaalsContact CH2-CG 3.47Å; W631-F689 HydrophobicContact CZ2-CB 4.27Å; W631-F689 HydrophobicContact CZ2-CD2 4.21Å; W631-F689 HydrophobicContact CZ2-CG 4.07Å; W631-F689 AromaticContact CZ3-CD1 3.57Å; W631-F689 HydrophobicContact CZ3-CD1 3.57Å; W631-F689 HydrophobicContact CZ3-CD2 4.36Å; W631-F689 AromaticContact CZ3-CE1 3.67Å; W631-F689 HydrophobicContact CZ3-CE1 3.67Å; W631-F689 HydrophobicContact CZ3-CE2 4.46Å; W631-F689 AromaticContact CZ3-CG 3.92Å; W631-F689 HydrophobicContact CZ3-CG 3.92Å; W631-F689 HydrophobicContact CZ3-CZ 4.12Å; W631-C715 HydrophobicContact CB-CB 4.49Å; W631-C715 HydrophobicContact CD2-CB 4.11Å; W631-C715 HydrophobicContact CG-CB 3.79Å; W631-N719 PolarHBondContact NE1-OD1 2.99Å
632	Y	85	Confident	82.2	Confident	3 Å²	3	51.2 Å²	51.2	1%	0.012	26%	0.263	C	S	.	.	H	α-helix	trans	-63	-46.7	-177.4	-172.7	-107	0	0	0	112.2	W376 F619 L622 P624 L628 C629 S634 M635 L636 F682 F686	W376-Y632 AromaticContact CH2-CD2 3.8Å; W376-Y632 HydrophobicContact CH2-CD2 3.8Å; W376-Y632 HydrophobicContact CH2-CE2 4.26Å; W376-Y632 HydrophobicContact CH2-CG 4.17Å; W376-Y632 HydrophobicContact CZ3-CD1 4.25Å; W376-Y632 AromaticContact CZ3-CD2 3.78Å; W376-Y632 HydrophobicContact CZ3-CD2 3.78Å; W376-Y632 HydrophobicContact CZ3-CE1 4.41Å; W376-Y632 AromaticContact CZ3-CE2 3.96Å; W376-Y632 HydrophobicContact CZ3-CE2 3.96Å; W376-Y632 AromaticContact CZ3-CG 3.94Å; W376-Y632 HydrophobicContact CZ3-CG 3.94Å; F619-Y632 WeakPolarHBondContact CA-OH 3.46Å; F619-Y632 PolarHBondContact O-OH 2.8Å; L622-Y632 HydrophobicContact CB-CE1 4.24Å; L622-Y632 WeakPolarHBondContact O-CE1 3.33Å; P624-Y632 HydrophobicContact CB-CG 4.5Å; P624-Y632 HydrophobicContact CG-CD1 3.86Å; P624-Y632 HydrophobicContact CG-CG 4.14Å; L628-Y632 PolarHBondContact O-N 2.68Å; C629-Y632 PolarHBondContact O-N 3.33Å; Y632-S634 PolarHBondContact O-N 3.28Å; Y632-M635 WeakPolarHBondContact O-CB 3.44Å; Y632-M635 PolarHBondContact O-N 3.12Å; Y632-M635 VanDerWaalsContact O-N 3.15Å; Y632-L636 HydrophobicContact CE1-CD2 4.3Å; Y632-L636 VanDerWaalsContact O-CB 3.32Å; Y632-L636 WeakPolarHBondContact O-CB 3.48Å; Y632-L636 PolarHBondContact O-N 3.27Å; Y632-F682 HydrophobicContact CE2-CE1 4.34Å; Y632-F682 AromaticContact CE2-CZ 3.83Å; Y632-F682 HydrophobicContact CE2-CZ 3.83Å; Y632-F686 HydrophobicContact CD2-CD2 4.33Å; Y632-F686 HydrophobicContact CD2-CE2 4.33Å; Y632-F686 AromaticContact CE2-CD2 3.86Å; Y632-F686 HydrophobicContact CE2-CD2 3.86Å; Y632-F686 AromaticContact CE2-CE2 3.82Å; Y632-F686 HydrophobicContact CE2-CE2 3.82Å
633	S	84.3	Confident	82.8	Confident	56 Å²	56	50.6 Å²	50.6	39%	0.392	26%	0.26	S	S	.	.	H	α-helix	trans	-63.9	-27.8	175.1	-55.7	0	0	0	0	113.1	C629 K637	C629-S633 VanDerWaalsContact O-CB 3.29Å; C629-S633 WeakPolarHBondContact O-CB 3.49Å; C629-S633 PolarHBondContact O-N 3.24Å; C629-S633 PolarHBondContact O-OG 3.44Å; S633-K637 VanDerWaalsContact O-CB 3.32Å; S633-K637 WeakPolarHBondContact O-CB 3.02Å; S633-K637 VanDerWaalsContact O-CG 3.22Å; S633-K637 WeakPolarHBondContact O-CG 3.43Å; S633-K637 PolarHBondContact O-N 3.25Å
634	S	86.1	Confident	83.1	Confident	81 Å²	81	48.7 Å²	48.7	57%	0.566	25%	0.248	S	C	*	.	H	α-helix	trans	-73.1	-41.1	173.3	-174	0	0	0	0	111.6	K630 W631 Y632 K638	K630-S634 VanDerWaalsContact O-CB 3.28Å; K630-S634 WeakPolarHBondContact O-CB 3.43Å; K630-S634 PolarHBondContact O-N 2.88Å; W631-S634 WeakPolarHBondContact O-CB 3.42Å; W631-S634 PolarHBondContact O-N 3.09Å; W631-S634 VanDerWaalsContact O-N 3.13Å; Y632-S634 PolarHBondContact O-N 3.28Å; S634-K638 PolarHBondContact O-N 2.75Å
635	M	82	Confident	83.1	Confident	10 Å²	10	51.2 Å²	51.2	5%	0.049	26%	0.26	C	S	.	.	H	α-helix	trans	-64.6	-43.4	175.3	-163.7	-169.3	175.5	0	0	111.2	W631 Y632 K638 L639 F682 Q685	W631-M635 HydrophobicContact CH2-SD 4.04Å; W631-M635 HydrophobicContact CZ2-SD 3.67Å; W631-M635 PolarHBondContact O-N 2.9Å; Y632-M635 WeakPolarHBondContact O-CB 3.44Å; Y632-M635 PolarHBondContact O-N 3.12Å; Y632-M635 VanDerWaalsContact O-N 3.15Å; M635-K638 WeakPolarHBondContact O-CB 3.48Å; M635-K638 PolarHBondContact O-N 3.15Å; M635-L639 PolarHBondContact O-N 2.99Å; M635-F682 HydrophobicContact CB-CE2 4.06Å; M635-F682 HydrophobicContact CE-CB 4.48Å; M635-F682 HydrophobicContact CE-CD1 4.39Å; M635-F682 HydrophobicContact CE-CD2 3.64Å; M635-F682 HydrophobicContact CE-CE2 3.89Å; M635-F682 HydrophobicContact CE-CG 3.91Å; M635-F682 HydrophobicContact CE-CZ 4.34Å; M635-F682 WeakPolarHBondContact CE-O 3.32Å; M635-F682 HydrophobicContact CG-CD2 3.79Å; M635-F682 HydrophobicContact CG-CE2 3.49Å; M635-F682 VanDerWaalsContact CG-CE2 3.49Å; M635-F682 HydrophobicContact CG-CZ 4.37Å; M635-F682 HydrophobicContact SD-CD2 4.1Å; M635-F682 HydrophobicContact SD-CE2 3.73Å; M635-F682 HydrophobicContact SD-CZ 4.09Å; M635-Q685 HydrophobicContact CE-CB 3.4Å; M635-Q685 HydrophobicContact CE-CG 4.44Å
636	L	84.9	Confident	83.1	Confident	17 Å²	17	51.4 Å²	51.4	9%	0.089	26%	0.262	C	S	.	.	H	α-helix	trans	-65.6	-45.1	177.5	-168.4	63.2	0	0	0	111.4	F619 Y632 K638 L639 D640 F682	F619-L636 HydrophobicContact CB-CD1 3.77Å; Y632-L636 HydrophobicContact CE1-CD2 4.3Å; Y632-L636 VanDerWaalsContact O-CB 3.32Å; Y632-L636 WeakPolarHBondContact O-CB 3.48Å; Y632-L636 PolarHBondContact O-N 3.27Å; L636-K638 VanDerWaalsContact C-N 3.26Å; L636-K638 PolarHBondContact O-N 3.09Å; L636-L639 HydrophobicContact CD1-CD2 4.34Å; L636-L639 WeakPolarHBondContact O-CB 3.28Å; L636-L639 PolarHBondContact O-N 3.34Å; L636-L639 VanDerWaalsContact O-N 3.17Å; L636-D640 WeakPolarHBondContact O-CB 3.46Å; L636-D640 VanDerWaalsContact O-CG 3.24Å; L636-D640 PolarHBondContact O-N 3.05Å; L636-F682 HydrophobicContact CD1-CZ 4.34Å
637	K	86.5	Confident	82.9	Confident	121 Å²	121	47.2 Å²	47.2	53%	0.526	23%	0.234	S	C	.	.	H	α-helix	trans	-61.8	-31.3	173.1	-76.5	178.8	-179.5	-168.6	0	113.3	S633 Q641	S633-K637 VanDerWaalsContact O-CB 3.32Å; S633-K637 WeakPolarHBondContact O-CB 3.02Å; S633-K637 VanDerWaalsContact O-CG 3.22Å; S633-K637 WeakPolarHBondContact O-CG 3.43Å; S633-K637 PolarHBondContact O-N 3.25Å; K637-Q641 VanDerWaalsContact O-CB 3.29Å; K637-Q641 WeakPolarHBondContact O-CB 3.46Å; K637-Q641 PolarHBondContact O-N 3.42Å; K637-Q641 VanDerWaalsContact O-N 3.1Å
638	K	85.6	Confident	82.6	Confident	96 Å²	96	48.1 Å²	48.1	42%	0.417	24%	0.24	S	C	.	.	H	α-helix	trans	-67	-51	171.8	-173.1	-167.5	175.1	-90.7	0	110.6	S634 M635 L636 D640 Q641 E642	S634-K638 PolarHBondContact O-N 2.75Å; M635-K638 WeakPolarHBondContact O-CB 3.48Å; M635-K638 PolarHBondContact O-N 3.15Å; L636-K638 VanDerWaalsContact C-N 3.26Å; L636-K638 PolarHBondContact O-N 3.09Å; K638-D640 PolarHBondContact O-N 2.99Å; K638-Q641 PolarHBondContact O-N 2.98Å; K638-Q641 VanDerWaalsContact O-N 3.14Å; K638-E642 WeakPolarHBondContact CE-OE1 3.47Å; K638-E642 HydrophobicContact CG-CG 4.48Å; K638-E642 IonicContact NZ-OE1 3.64Å; K638-E642 PolarHBondContact NZ-OE1 2.82Å; K638-E642 IonicContact NZ-OE2 2.68Å; K638-E642 PolarHBondContact NZ-OE2 3.13Å; K638-E642 WeakPolarHBondContact O-CG 3.21Å; K638-E642 PolarHBondContact O-N 3.23Å
639	L	84.7	Confident	81.8	Confident	3 Å²	3	52.2 Å²	52.2	2%	0.016	26%	0.261	C	S	.	.	H	α-helix	trans	-53.8	-52.6	176.2	176.7	65.3	0	0	0	111.3	F619 M635 L636 Q641 E642 I643 I678 I679 F682	F619-L639 HydrophobicContact CD2-CD2 3.88Å; F619-L639 HydrophobicContact CE2-CD2 4.37Å; M635-L639 PolarHBondContact O-N 2.99Å; L636-L639 HydrophobicContact CD1-CD2 4.34Å; L636-L639 WeakPolarHBondContact O-CB 3.28Å; L636-L639 PolarHBondContact O-N 3.34Å; L636-L639 VanDerWaalsContact O-N 3.17Å; L639-Q641 VanDerWaalsContact C-N 3.27Å; L639-Q641 PolarHBondContact O-N 2.93Å; L639-E642 PolarHBondContact O-N 3.14Å; L639-I643 HydrophobicContact CD1-CD1 3.72Å; L639-I643 HydrophobicContact CD1-CG1 4.2Å; L639-I643 HydrophobicContact CG-CD1 3.88Å; L639-I643 WeakPolarHBondContact O-CB 3.33Å; L639-I643 VanDerWaalsContact O-CG1 3.32Å; L639-I643 WeakPolarHBondContact O-CG1 3.29Å; L639-I643 PolarHBondContact O-N 2.99Å; L639-I678 HydrophobicContact CD1-CG2 3.67Å; L639-I679 HydrophobicContact CD1-CG1 4.15Å; L639-F682 HydrophobicContact CB-CD2 3.85Å; L639-F682 HydrophobicContact CB-CE2 4.18Å; L639-F682 HydrophobicContact CD1-CB 4.22Å; L639-F682 HydrophobicContact CD1-CD2 4.46Å; L639-F682 HydrophobicContact CD1-CG 4.5Å; L639-F682 HydrophobicContact CD2-CB 4.4Å; L639-F682 HydrophobicContact CD2-CD1 4.23Å; L639-F682 HydrophobicContact CD2-CD2 3.75Å; L639-F682 HydrophobicContact CD2-CE1 4.49Å; L639-F682 HydrophobicContact CD2-CE2 3.99Å; L639-F682 HydrophobicContact CD2-CG 3.88Å; L639-F682 HydrophobicContact CD2-CZ 4.37Å; L639-F682 HydrophobicContact CG-CD2 4.23Å
640	D	86.3	Confident	80.7	Confident	18 Å²	18	52.3 Å²	52.3	10%	0.096	26%	0.257	C	S	.	.	H	α-helix	trans	-57.7	-39.4	177.9	-67.7	-27.2	0	0	0	111.9	F394 H620 L636 K638 Y644	F394-D640 HydrophobicContact CE1-CB 4.37Å; F394-D640 WeakPolarHBondContact CE1-O 3.36Å; F394-D640 HydrophobicContact CZ-CB 4.03Å; H620-D640 IonicContact CD2-OD1 2.71Å; H620-D640 IonicContact CE1-OD1 3.64Å; H620-D640 IonicContact CE1-OD2 3.82Å; H620-D640 PolarHBondContact CE1-OD2 3.5Å; H620-D640 VanDerWaalsContact NE2-CG 3.34Å; H620-D640 IonicContact NE2-OD1 2.72Å; H620-D640 PolarHBondContact NE2-OD1 3.05Å; H620-D640 IonicContact NE2-OD2 3.61Å; H620-D640 PolarHBondContact NE2-OD2 3.34Å; H620-D640 VanDerWaalsContact NE2-OD2 3.13Å; L636-D640 WeakPolarHBondContact O-CB 3.46Å; L636-D640 VanDerWaalsContact O-CG 3.24Å; L636-D640 PolarHBondContact O-N 3.05Å; K638-D640 PolarHBondContact O-N 2.99Å; D640-Y644 WeakPolarHBondContact O-CB 3.49Å; D640-Y644 PolarHBondContact O-N 2.91Å
641	Q	84.8	Confident	79.4	Confident	68 Å²	68	45.3 Å²	45.3	32%	0.318	23%	0.232	S	C	.	.	H	α-helix	trans	-71.4	-42	179.6	-172.3	57.1	37.8	0	0	112.2	K483 K637 K638 L639 Y644 D645	K483-Q641 VanDerWaalsContact CE-OE1 3.3Å; K637-Q641 VanDerWaalsContact O-CB 3.29Å; K637-Q641 WeakPolarHBondContact O-CB 3.46Å; K637-Q641 PolarHBondContact O-N 3.42Å; K637-Q641 VanDerWaalsContact O-N 3.1Å; K638-Q641 PolarHBondContact O-N 2.98Å; K638-Q641 VanDerWaalsContact O-N 3.14Å; L639-Q641 VanDerWaalsContact C-N 3.27Å; L639-Q641 PolarHBondContact O-N 2.93Å; Q641-Y644 PolarHBondContact O-N 3.11Å; Q641-D645 PolarHBondContact NE2-OD1 3.15Å; Q641-D645 VanDerWaalsContact NE2-OD1 3.16Å; Q641-D645 PolarHBondContact NE2-OD2 2.92Å; Q641-D645 WeakPolarHBondContact O-CB 3.16Å; Q641-D645 PolarHBondContact O-N 3.3Å
642	E	84	Confident	77.8	Confident	66 Å²	66	48.2 Å²	48.2	31%	0.308	26%	0.255	S	S	.	.	H	α-helix	trans	-65.3	-43.2	177.9	-70.5	176.5	153.4	0	0	111.4	K638 L639 L646 I678	K638-E642 WeakPolarHBondContact CE-OE1 3.47Å; K638-E642 HydrophobicContact CG-CG 4.48Å; K638-E642 IonicContact NZ-OE1 3.64Å; K638-E642 PolarHBondContact NZ-OE1 2.82Å; K638-E642 IonicContact NZ-OE2 2.68Å; K638-E642 PolarHBondContact NZ-OE2 3.13Å; K638-E642 WeakPolarHBondContact O-CG 3.21Å; K638-E642 PolarHBondContact O-N 3.23Å; L639-E642 PolarHBondContact O-N 3.14Å; E642-L646 WeakPolarHBondContact O-CG 3.14Å; E642-L646 PolarHBondContact O-N 3.04Å; E642-L646 VanDerWaalsContact O-N 3.11Å; E642-I678 HydrophobicContact CB-CD1 4.22Å; E642-I678 HydrophobicContact CB-CG2 4.26Å
643	I	82.6	Confident	75.8	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-62.7	-47.4	173.1	-66	175.8	0	0	0	110.9	F394 M616 L639 D645 L646 L647 I675 I679	F394-I643 HydrophobicContact CD1-CG2 4.26Å; M616-I643 HydrophobicContact CE-CD1 4.17Å; M616-I643 HydrophobicContact CE-CG2 4.21Å; M616-I643 HydrophobicContact CG-CD1 4.08Å; M616-I643 HydrophobicContact SD-CD1 3.94Å; M616-I643 HydrophobicContact SD-CG2 4.1Å; L639-I643 HydrophobicContact CD1-CD1 3.72Å; L639-I643 HydrophobicContact CD1-CG1 4.2Å; L639-I643 HydrophobicContact CG-CD1 3.88Å; L639-I643 WeakPolarHBondContact O-CB 3.33Å; L639-I643 VanDerWaalsContact O-CG1 3.32Å; L639-I643 WeakPolarHBondContact O-CG1 3.29Å; L639-I643 PolarHBondContact O-N 2.99Å; I643-D645 PolarHBondContact O-N 2.81Å; I643-L646 PolarHBondContact O-N 3.28Å; I643-L647 HydrophobicContact CG2-CD1 3.76Å; I643-L647 HydrophobicContact CG2-CG 4.42Å; I643-L647 WeakPolarHBondContact O-CG 3.29Å; I643-L647 PolarHBondContact O-N 3.03Å; I643-I675 HydrophobicContact CD1-CG2 4.32Å; I643-I675 HydrophobicContact CG1-CG2 4.12Å; I643-I675 HydrophobicContact CG2-CG2 4.4Å; I643-I679 HydrophobicContact CD1-CD1 4.1Å; I643-I679 HydrophobicContact CD1-CG1 4.03Å
644	Y	80.7	Confident	73.7	Confident	6 Å²	6	55.4 Å²	55.4	2%	0.024	29%	0.289	C	S	.	.	H	α-helix	trans	-61.1	-42.2	-180	-179.7	-92.2	0	0	0	112.4	F394 K483 P484 L486 D640 Q641 L647 K648	F394-Y644 HydrophobicContact CD1-CD2 4.3Å; F394-Y644 HydrophobicContact CE1-CD2 4.45Å; K483-Y644 HydrophobicContact CB-CE2 4.41Å; K483-Y644 HydrophobicContact CD-CD2 4.3Å; K483-Y644 HydrophobicContact CD-CE1 4.48Å; K483-Y644 HydrophobicContact CD-CE2 4.18Å; P484-Y644 WeakPolarHBondContact CD-OH 3.34Å; P484-Y644 PolarHBondContact O-OH 3.19Å; L486-Y644 HydrophobicContact CD1-CD2 3.63Å; L486-Y644 HydrophobicContact CD1-CE2 3.61Å; L486-Y644 HydrophobicContact CD1-CG 4.38Å; L486-Y644 HydrophobicContact CD2-CE2 4.24Å; L486-Y644 HydrophobicContact CG-CD2 4.18Å; L486-Y644 HydrophobicContact CG-CE2 3.62Å; D640-Y644 WeakPolarHBondContact O-CB 3.49Å; D640-Y644 PolarHBondContact O-N 2.91Å; Q641-Y644 PolarHBondContact O-N 3.11Å; Y644-L647 PolarHBondContact O-N 3.35Å; Y644-K648 HydrophobicContact CD1-CD 4.47Å; Y644-K648 HydrophobicContact CE1-CD 3.88Å; Y644-K648 WeakPolarHBondContact O-CB 3.5Å; Y644-K648 PolarHBondContact O-N 3.04Å
645	D	78.9	Confident	71.4	Confident	66 Å²	66	55.8 Å²	55.8	35%	0.353	30%	0.297	S	S	.	.	H	α-helix	trans	-69.1	-37.1	179.2	-76.6	-32.4	0	0	0	112.2	Q641 I643 K648 I649	Q641-D645 PolarHBondContact NE2-OD1 3.15Å; Q641-D645 VanDerWaalsContact NE2-OD1 3.16Å; Q641-D645 PolarHBondContact NE2-OD2 2.92Å; Q641-D645 WeakPolarHBondContact O-CB 3.16Å; Q641-D645 PolarHBondContact O-N 3.3Å; I643-D645 PolarHBondContact O-N 2.81Å; D645-K648 PolarHBondContact O-N 2.91Å; D645-I649 WeakPolarHBondContact O-CD1 3.36Å; D645-I649 VanDerWaalsContact O-CG1 3.31Å; D645-I649 WeakPolarHBondContact O-CG1 3.41Å; D645-I649 PolarHBondContact O-N 2.8Å
646	L	78.2	Confident	68.8	Low	38 Å²	38	63 Å²	63	20%	0.199	34%	0.336	C	S	.	.	H	α-helix	trans	-60.7	-48	170.4	-75.1	-178.8	0	0	0	111.9	E642 I643 K648 I649 H650 T671 D674 I675 I678	E642-L646 WeakPolarHBondContact O-CG 3.14Å; E642-L646 PolarHBondContact O-N 3.04Å; E642-L646 VanDerWaalsContact O-N 3.11Å; I643-L646 PolarHBondContact O-N 3.28Å; L646-K648 PolarHBondContact O-N 3.13Å; L646-I649 PolarHBondContact O-N 3.4Å; L646-H650 PolarHBondContact O-CD2 3.01Å; L646-T671 HydrophobicContact CB-CG2 4.49Å; L646-D674 HydrophobicContact CD1-CB 3.87Å; L646-I675 HydrophobicContact CB-CG1 4.21Å; L646-I675 HydrophobicContact CD1-CG1 3.69Å; L646-I678 HydrophobicContact CD1-CD1 3.45Å; L646-I678 VanDerWaalsContact CD1-CD1 3.45Å; L646-I678 HydrophobicContact CG-CD1 4.45Å
647	L	75	Confident	66.2	Low	16 Å²	16	70 Å²	70	8%	0.084	37%	0.371	C	S	.	.	H	α-helix	trans	-65.7	-37.4	179.3	-66.4	171.1	0	0	0	112.1	F394 L486 I643 Y644 I649 H650 S651 I675	F394-L647 HydrophobicContact CB-CD1 4.09Å; F394-L647 HydrophobicContact CD1-CD1 4.47Å; F394-L647 WeakPolarHBondContact O-CD1 3.24Å; L486-L647 HydrophobicContact CD1-CB 3.85Å; I643-L647 HydrophobicContact CG2-CD1 3.76Å; I643-L647 HydrophobicContact CG2-CG 4.42Å; I643-L647 WeakPolarHBondContact O-CG 3.29Å; I643-L647 PolarHBondContact O-N 3.03Å; Y644-L647 PolarHBondContact O-N 3.35Å; L647-I649 VanDerWaalsContact C-N 3.32Å; L647-I649 PolarHBondContact O-N 3.26Å; L647-H650 PolarHBondContact O-N 3.16Å; L647-S651 PolarHBondContact O-N 3.23Å; L647-I675 HydrophobicContact CD2-CD1 3.67Å; L647-I675 HydrophobicContact CG-CD1 3.94Å
648	K	73.7	Confident	63.5	Low	92 Å²	92	71.5 Å²	71.5	40%	0.4	38%	0.384	S	S	.	.	H	α-helix	trans	-64.2	-29.9	177.4	-174.6	-179	179.7	-174.6	0	114.1	L486 Y644 D645 L646 H650 S651 S652	L486-K648 HydrophobicContact CD2-CB 3.95Å; L486-K648 HydrophobicContact CD2-CG 4.2Å; Y644-K648 HydrophobicContact CD1-CD 4.47Å; Y644-K648 HydrophobicContact CE1-CD 3.88Å; Y644-K648 WeakPolarHBondContact O-CB 3.5Å; Y644-K648 PolarHBondContact O-N 3.04Å; D645-K648 PolarHBondContact O-N 2.91Å; L646-K648 PolarHBondContact O-N 3.13Å; K648-H650 PolarHBondContact O-N 3.44Å; K648-S651 PolarHBondContact O-N 2.83Å; K648-S651 PolarHBondContact O-OG 2.95Å; K648-S652 WeakPolarHBondContact O-CB 2.76Å; K648-S652 PolarHBondContact O-N 2.84Å; K648-S652 PolarHBondContact O-OG 3.04Å
649	I	67.3	Low	60.9	Low	86 Å²	86	71.8 Å²	71.8	44%	0.441	39%	0.394	S	S	.	.	H	α-helix	trans	-62.7	-19.1	174	-73.4	163.9	0	0	0	111.9	D645 L646 L647 K653	D645-I649 WeakPolarHBondContact O-CD1 3.36Å; D645-I649 VanDerWaalsContact O-CG1 3.31Å; D645-I649 WeakPolarHBondContact O-CG1 3.41Å; D645-I649 PolarHBondContact O-N 2.8Å; L646-I649 PolarHBondContact O-N 3.4Å; L647-I649 VanDerWaalsContact C-N 3.32Å; L647-I649 PolarHBondContact O-N 3.26Å; I649-K653 WeakPolarHBondContact O-CE 2.93Å; I649-K653 PolarHBondContact O-NZ 2.96Å
650	H	57.8	Low	58.4	Low	46 Å²	46	78.5 Å²	78.5	21%	0.213	44%	0.435	C	S	.	.	H	α-helix	trans	-99.3	-41.6	176.6	-67.4	-96.8	0	0	0	112.6	L646 L647 K648 S652 K653 F667 P668 T671	L646-H650 PolarHBondContact O-CD2 3.01Å; L647-H650 PolarHBondContact O-N 3.16Å; K648-H650 PolarHBondContact O-N 3.44Å; H650-S652 PolarHBondContact O-N 3.09Å; H650-K653 PolarHBondContact O-N 3Å; H650-F667 HydrophobicContact CB-CD2 4.23Å; H650-F667 HydrophobicContact CB-CE2 3.49Å; H650-F667 VanDerWaalsContact CB-CE2 3.49Å; H650-F667 HydrophobicContact CB-CZ 4.05Å; H650-F667 AromaticContact CG-CE2 3.7Å; H650-F667 AromaticContact CG-CZ 3.96Å; H650-F667 AromaticContact ND1-CD2 3.95Å; H650-F667 AromaticContact ND1-CE2 3.84Å; H650-P668 VanDerWaalsContact CE1-CD 3.46Å; H650-P668 WeakPolarHBondContact CE1-CD 3.28Å; H650-T671 PolarHBondContact CE1-OG1 3.38Å; H650-T671 VanDerWaalsContact CE1-OG1 3.28Å; H650-T671 PolarHBondContact NE2-OG1 3.3Å
651	S	56.6	Low	55.8	Low	41 Å²	41	83 Å²	83	29%	0.287	47%	0.467	S	S	.	.	H	α-helix	trans	-61.1	-31.6	177.4	71.1	0	0	0	0	113.4	L486 L647 K648 K653	L486-S651 VanDerWaalsContact CD2-OG 3.23Å; L486-S651 WeakPolarHBondContact CD2-OG 3.4Å; L647-S651 PolarHBondContact O-N 3.23Å; K648-S651 PolarHBondContact O-N 2.83Å; K648-S651 PolarHBondContact O-OG 2.95Å; S651-K653 PolarHBondContact O-N 2.97Å
652	S	49.5	Very low	53	Low	82 Å²	82	88.6 Å²	88.6	57%	0.573	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-9.4	-178.6	54.5	0	0	0	0	115.2	K648 H650 S654	K648-S652 WeakPolarHBondContact O-CB 2.76Å; K648-S652 PolarHBondContact O-N 2.84Å; K648-S652 PolarHBondContact O-OG 3.04Å; H650-S652 PolarHBondContact O-N 3.09Å; S652-S654 VanDerWaalsContact C-N 3.29Å; S652-S654 PolarHBondContact O-N 2.72Å; S652-S654 VanDerWaalsContact O-N 3.13Å
653	K	42.8	Very low	50.4	Low	135 Å²	135	90.3 Å²	90.3	59%	0.587	51%	0.506	S	S	*	.			trans	-87.8	47	-177.2	-74.6	-177.3	-174	115.5	0	114.1	I649 H650 S651	I649-K653 WeakPolarHBondContact O-CE 2.93Å; I649-K653 PolarHBondContact O-NZ 2.96Å; H650-K653 PolarHBondContact O-N 3Å; S651-K653 PolarHBondContact O-N 2.97Å
654	S	39.5	Very low	47.7	Very low	76 Å²	76	96.9 Å²	96.9	53%	0.531	55%	0.546	S	S	.	.			trans	-142.7	91.8	163.9	66.1	0	0	0	0	112	N492 S652	N492-S654 PolarHBondContact ND2-OG 3.31Å; S652-S654 VanDerWaalsContact C-N 3.29Å; S652-S654 PolarHBondContact O-N 2.72Å; S652-S654 VanDerWaalsContact O-N 3.13Å
655	A	38	Very low	45.4	Very low	89 Å²	89	104 Å²	104	74%	0.736	58%	0.577	S	S	*	*	S	Bend	trans	-149.9	-46.4	170.4	0	0	0	0	0	112.9	M657	A655-M657 PolarHBondContact O-N 3.09Å
656	N	28.1	Very low	43.5	Very low	161 Å²	161	104 Å²	104	86%	0.861	58%	0.582	S	S	*	*			trans	-88.5	88.8	179.8	-74.1	4.6	0	0	0	111.7
657	M	28.8	Very low	42	Very low	165 Å²	165	105.1 Å²	105.1	81%	0.813	59%	0.585	S	S	*	*			trans	-55.6	163.6	159.4	-73.1	-87.3	-175.4	0	0	111.8	A655	A655-M657 PolarHBondContact O-N 3.09Å
658	D	31.2	Very low	41.1	Very low	151 Å²	151	106.3 Å²	106.3	81%	0.807	59%	0.594	S	S	*	*			trans	112.4	4.8	166.7	-62.5	-9.4	0	0	0	119
659	T	30.4	Very low	40.4	Very low	103 Å²	103	104 Å²	104	63%	0.632	59%	0.586	S	S	*	*			trans	-130.6	59.8	172	49.5	0	0	0	0	114.7	S661	T659-S661 PolarHBondContact O-N 3.34Å
660	V	32	Very low	40.1	Very low	144 Å²	144	101.8 Å²	101.8	87%	0.873	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	45.7	-180	-164.4	0	0	0	0	113
661	S	31.3	Very low	40.6	Very low	111 Å²	111	99.8 Å²	99.8	78%	0.776	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-149.2	-1.5	178.8	63	0	0	0	0	116.7	T659	T659-S661 PolarHBondContact O-N 3.34Å
662	K	27.7	Very low	41.1	Very low	187 Å²	187	98.4 Å²	98.4	81%	0.813	56%	0.558	S	S	*	*	S	Bend	trans	-139.2	17.6	175.6	-74.9	-165.2	175.1	-177.7	0	115.5	T664	K662-T664 PolarHBondContact O-N 3.47Å
663	V	28.9	Very low	41.9	Very low	102 Å²	102	95.1 Å²	95.1	62%	0.618	54%	0.535	S	S	*	.			trans	-97.8	65	175.3	-167.8	0	0	0	0	110.1	K665	V663-K665 HydrophobicContact CG1-CB 3.82Å; V663-K665 HydrophobicContact CG1-CD 4.38Å; V663-K665 HydrophobicContact CG1-CG 4.14Å; V663-K665 PolarHBondContact O-N 3.49Å
664	T	25.4	Very low	43.1	Very low	138 Å²	138	91.8 Å²	91.8	85%	0.847	52%	0.523	S	S	*	.			trans	-76.3	55.7	158.3	53.9	0	0	0	0	109.1	K662	K662-T664 PolarHBondContact O-N 3.47Å
665	K	33.5	Very low	44.6	Very low	156 Å²	156	88.2 Å²	88.2	68%	0.678	50%	0.498	S	S	*	.			trans	-109.3	73.8	174	-67.9	-173.9	177.4	179.1	0	107.4	V663	V663-K665 HydrophobicContact CG1-CB 3.82Å; V663-K665 HydrophobicContact CG1-CD 4.38Å; V663-K665 HydrophobicContact CG1-CG 4.14Å; V663-K665 PolarHBondContact O-N 3.49Å
666	S	38.6	Very low	46.1	Very low	66 Å²	66	84.2 Å²	84.2	46%	0.462	47%	0.465	S	S	.	.			trans	-41	143.2	153.7	43.7	0	0	0	0	109.2	D508 P668	D508-S666 VanDerWaalsContact OD1-CA 3.27Å; D508-S666 WeakPolarHBondContact OD1-CA 3.48Å; S666-P668 WeakPolarHBondContact O-CD 3.34Å
667	F	46.9	Very low	47.8	Very low	60 Å²	60	79.1 Å²	79.1	26%	0.263	44%	0.436	S	S	.	.			trans	-56.3	107.1	163.6	-162.4	-77.3	0	0	0	106.6	D508 H650 L669 F672	D508-F667 PolarHBondContact OD1-N 3.39Å; H650-F667 HydrophobicContact CB-CD2 4.23Å; H650-F667 HydrophobicContact CB-CE2 3.49Å; H650-F667 VanDerWaalsContact CB-CE2 3.49Å; H650-F667 HydrophobicContact CB-CZ 4.05Å; H650-F667 AromaticContact CG-CE2 3.7Å; H650-F667 AromaticContact CG-CZ 3.96Å; H650-F667 AromaticContact ND1-CD2 3.95Å; H650-F667 AromaticContact ND1-CE2 3.84Å; F667-L669 PolarHBondContact O-N 2.72Å; F667-F672 HydrophobicContact CD1-CD2 4.49Å; F667-F672 AromaticContact CD1-CE2 3.79Å; F667-F672 HydrophobicContact CD1-CE2 3.79Å; F667-F672 HydrophobicContact CD1-CZ 4.03Å; F667-F672 HydrophobicContact CE1-CD2 4.35Å; F667-F672 HydrophobicContact CE1-CE1 4.05Å; F667-F672 AromaticContact CE1-CE2 3.69Å; F667-F672 HydrophobicContact CE1-CE2 3.69Å; F667-F672 AromaticContact CE1-CZ 3.51Å; F667-F672 HydrophobicContact CE1-CZ 3.51Å; F667-F672 HydrophobicContact CZ-CZ 4.27Å
668	P	54.3	Low	49.8	Very low	41 Å²	41	72.9 Å²	72.9	27%	0.266	41%	0.405	S	S	.	.			trans	-78.9	131.7	-160.6	31.5	-31.6	0	0	0	107.5	H650 S666 S670 T671	H650-P668 VanDerWaalsContact CE1-CD 3.46Å; H650-P668 WeakPolarHBondContact CE1-CD 3.28Å; S666-P668 WeakPolarHBondContact O-CD 3.34Å; P668-S670 WeakPolarHBondContact CB-OG 3.39Å; P668-S670 WeakPolarHBondContact CG-OG 3.27Å; P668-S670 PolarHBondContact O-N 2.91Å; P668-T671 PolarHBondContact O-N 3.23Å
669	L	59.3	Low	51.6	Low	44 Å²	44	65.9 Å²	65.9	23%	0.23	37%	0.368	C	S	.	.	H	α-helix	trans	-44.7	-29.8	169.4	176	61.9	0	0	0	112.5	L331 H605 L608 F667 T671 F672 C673	L331-L669 HydrophobicContact CB-CD2 4.23Å; L331-L669 HydrophobicContact CD1-CD1 4.48Å; L331-L669 HydrophobicContact CD1-CD2 3.5Å; L331-L669 VanDerWaalsContact CD1-CD2 3.5Å; L331-L669 HydrophobicContact CD1-CG 3.57Å; H605-L669 VanDerWaalsContact CE1-CD1 3.49Å; H605-L669 WeakPolarHBondContact CE1-CD1 3.28Å; H605-L669 WeakPolarHBondContact CE1-CD2 3.49Å; H605-L669 VanDerWaalsContact ND1-CD1 3.33Å; H605-L669 WeakPolarHBondContact ND1-CD1 3.46Å; L608-L669 HydrophobicContact CD1-CD1 3.46Å; L608-L669 VanDerWaalsContact CD1-CD1 3.46Å; F667-L669 PolarHBondContact O-N 2.72Å; L669-T671 VanDerWaalsContact C-N 3.33Å; L669-T671 PolarHBondContact O-N 3.34Å; L669-F672 PolarHBondContact O-N 2.99Å; L669-C673 PolarHBondContact O-N 3.03Å; L669-C673 VanDerWaalsContact O-N 3.13Å; L669-C673 PolarHBondContact O-SG 2.95Å
670	S	62.6	Low	53.1	Low	39 Å²	39	61.6 Å²	61.6	27%	0.273	34%	0.343	S	S	.	.	H	α-helix	trans	-51.3	-44.9	171.8	68.3	0	0	0	0	113.3	P668 F672 C673 D674	P668-S670 WeakPolarHBondContact CB-OG 3.39Å; P668-S670 WeakPolarHBondContact CG-OG 3.27Å; P668-S670 PolarHBondContact O-N 2.91Å; S670-F672 VanDerWaalsContact C-N 3.29Å; S670-F672 PolarHBondContact O-N 3.22Å; S670-C673 CarbonylContact O-C 3.47Å; S670-C673 WeakPolarHBondContact O-CA 3.18Å; S670-C673 WeakPolarHBondContact O-CB 3.17Å; S670-C673 PolarHBondContact O-N 3.08Å; S670-D674 PolarHBondContact O-N 3.05Å
671	T	66.9	Low	54.6	Low	4 Å²	4	58.1 Å²	58.1	3%	0.025	32%	0.317	C	S	.	.	H	α-helix	trans	-62.8	-36.6	-176.3	-51.6	0	0	0	0	111.9	L646 H650 P668 L669 I675	L646-T671 HydrophobicContact CB-CG2 4.49Å; H650-T671 PolarHBondContact CE1-OG1 3.38Å; H650-T671 VanDerWaalsContact CE1-OG1 3.28Å; H650-T671 PolarHBondContact NE2-OG1 3.3Å; P668-T671 PolarHBondContact O-N 3.23Å; L669-T671 VanDerWaalsContact C-N 3.33Å; L669-T671 PolarHBondContact O-N 3.34Å; T671-I675 HydrophobicContact CG2-CD1 4.36Å; T671-I675 WeakPolarHBondContact O-CD1 3.47Å; T671-I675 VanDerWaalsContact O-CG1 3.26Å; T671-I675 WeakPolarHBondContact O-CG1 3.27Å; T671-I675 PolarHBondContact O-N 3.37Å; T671-I675 VanDerWaalsContact O-N 3.07Å
672	F	68.4	Low	56.5	Low	13 Å²	13	53.2 Å²	53.2	6%	0.057	28%	0.282	C	S	.	.	H	α-helix	trans	-71.4	-34	173.7	-66.4	-53.4	0	0	0	111.9	W489 L608 P609 I612 F667 L669 S670 I675 L676	W489-F672 HydrophobicContact CZ2-CE2 4.06Å; W489-F672 AromaticContact CZ2-CZ 3.95Å; W489-F672 HydrophobicContact CZ2-CZ 3.95Å; W489-F672 AromaticContact NE1-CZ 3.96Å; L608-F672 HydrophobicContact CB-CB 4.4Å; L608-F672 HydrophobicContact CB-CD2 4.44Å; L608-F672 HydrophobicContact CB-CG 4.34Å; L608-F672 HydrophobicContact CD1-CB 4.17Å; L608-F672 HydrophobicContact CD1-CD2 4.44Å; P609-F672 HydrophobicContact CB-CE1 4.25Å; P609-F672 HydrophobicContact CB-CZ 4.4Å; P609-F672 HydrophobicContact CG-CE1 3.96Å; P609-F672 HydrophobicContact CG-CE2 4.28Å; P609-F672 HydrophobicContact CG-CZ 3.68Å; I612-F672 HydrophobicContact CD1-CB 4.06Å; I612-F672 HydrophobicContact CD1-CD1 3.53Å; I612-F672 HydrophobicContact CD1-CE1 4.42Å; I612-F672 HydrophobicContact CD1-CG 4.2Å; F667-F672 HydrophobicContact CD1-CD2 4.49Å; F667-F672 AromaticContact CD1-CE2 3.79Å; F667-F672 HydrophobicContact CD1-CE2 3.79Å; F667-F672 HydrophobicContact CD1-CZ 4.03Å; F667-F672 HydrophobicContact CE1-CD2 4.35Å; F667-F672 HydrophobicContact CE1-CE1 4.05Å; F667-F672 AromaticContact CE1-CE2 3.69Å; F667-F672 HydrophobicContact CE1-CE2 3.69Å; F667-F672 AromaticContact CE1-CZ 3.51Å; F667-F672 HydrophobicContact CE1-CZ 3.51Å; F667-F672 HydrophobicContact CZ-CZ 4.27Å; L669-F672 PolarHBondContact O-N 2.99Å; S670-F672 VanDerWaalsContact C-N 3.29Å; S670-F672 PolarHBondContact O-N 3.22Å; F672-I675 HydrophobicContact CD1-CD1 4.49Å; F672-I675 PolarHBondContact O-N 3.07Å; F672-L676 WeakPolarHBondContact O-CB 3.33Å; F672-L676 WeakPolarHBondContact O-CD1 3.45Å; F672-L676 WeakPolarHBondContact O-CG 3.49Å; F672-L676 PolarHBondContact O-N 3.37Å
673	C	65	Low	58.2	Low	12 Å²	12	44.5 Å²	44.5	8%	0.081	24%	0.244	C	C	.	.	H	α-helix	trans	-69.8	-37.1	173	-66.6	0	0	0	0	113	L331 F339 L669 S670 I675 L676 E677	L331-C673 HydrophobicContact CD1-CB 4.39Å; L331-C673 WeakPolarHBondContact CD1-SG 3.11Å; L331-C673 HydrophobicContact CD2-CB 4.48Å; L331-C673 VanDerWaalsContact CD2-SG 3.55Å; F339-C673 HydrophobicContact CZ-CB 4.35Å; L669-C673 PolarHBondContact O-N 3.03Å; L669-C673 VanDerWaalsContact O-N 3.13Å; L669-C673 PolarHBondContact O-SG 2.95Å; S670-C673 CarbonylContact O-C 3.47Å; S670-C673 WeakPolarHBondContact O-CA 3.18Å; S670-C673 WeakPolarHBondContact O-CB 3.17Å; S670-C673 PolarHBondContact O-N 3.08Å; C673-I675 VanDerWaalsContact C-N 3.35Å; C673-L676 CarbonylContact O-C 3.59Å; C673-L676 PolarHBondContact O-N 3.49Å; C673-E677 WeakPolarHBondContact O-CB 3.17Å; C673-E677 PolarHBondContact O-N 2.97Å
674	D	68.4	Low	59.6	Low	65 Å²	65	41 Å²	41	35%	0.348	22%	0.222	S	C	.	.	H	α-helix	trans	-62	-44.5	173.5	-56.4	-29.2	0	0	0	109.7	L646 S670 E677 I678	L646-D674 HydrophobicContact CD1-CB 3.87Å; S670-D674 PolarHBondContact O-N 3.05Å; D674-E677 PolarHBondContact O-N 3.27Å; D674-I678 WeakPolarHBondContact O-CD1 3.39Å; D674-I678 WeakPolarHBondContact O-CG1 3.37Å; D674-I678 PolarHBondContact O-N 3.34Å
675	I	72	Confident	61.5	Low	1 Å²	1	35 Å²	35	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-62.1	-44.9	173.6	-70.2	164.9	0	0	0	111.2	I612 I643 L646 L647 T671 F672 C673 E677 I678 I679	I612-I675 HydrophobicContact CB-CG2 4.48Å; I612-I675 HydrophobicContact CD1-CB 4.19Å; I612-I675 HydrophobicContact CD1-CG2 3.76Å; I612-I675 HydrophobicContact CG1-CG2 3.96Å; I612-I675 HydrophobicContact CG2-CG2 3.68Å; I643-I675 HydrophobicContact CD1-CG2 4.32Å; I643-I675 HydrophobicContact CG1-CG2 4.12Å; I643-I675 HydrophobicContact CG2-CG2 4.4Å; L646-I675 HydrophobicContact CB-CG1 4.21Å; L646-I675 HydrophobicContact CD1-CG1 3.69Å; L647-I675 HydrophobicContact CD2-CD1 3.67Å; L647-I675 HydrophobicContact CG-CD1 3.94Å; T671-I675 HydrophobicContact CG2-CD1 4.36Å; T671-I675 WeakPolarHBondContact O-CD1 3.47Å; T671-I675 VanDerWaalsContact O-CG1 3.26Å; T671-I675 WeakPolarHBondContact O-CG1 3.27Å; T671-I675 PolarHBondContact O-N 3.37Å; T671-I675 VanDerWaalsContact O-N 3.07Å; F672-I675 HydrophobicContact CD1-CD1 4.49Å; F672-I675 PolarHBondContact O-N 3.07Å; C673-I675 VanDerWaalsContact C-N 3.35Å; I675-E677 VanDerWaalsContact C-N 3.32Å; I675-E677 PolarHBondContact O-N 3.37Å; I675-I678 PolarHBondContact O-N 2.9Å; I675-I679 HydrophobicContact CG2-CD1 3.66Å; I675-I679 HydrophobicContact CG2-CG1 4.44Å; I675-I679 WeakPolarHBondContact O-CB 3.42Å; I675-I679 VanDerWaalsContact O-CG1 3.28Å; I675-I679 WeakPolarHBondContact O-CG1 3.39Å; I675-I679 PolarHBondContact O-N 2.92Å
676	L	68.1	Low	63.1	Low	6 Å²	6	28.5 Å²	28.5	3%	0.031	16%	0.156	C	C	.	.	H	α-helix	trans	-67.7	-30.1	178.1	-74	165.2	0	0	0	112.9	F339 L608 I612 F672 C673 A680	F339-L676 HydrophobicContact CB-CB 4.5Å; F339-L676 HydrophobicContact CB-CD1 3.95Å; F339-L676 HydrophobicContact CD1-CB 3.52Å; F339-L676 HydrophobicContact CD1-CD1 4.31Å; F339-L676 HydrophobicContact CD1-CG 4.44Å; F339-L676 HydrophobicContact CE1-CB 3.82Å; F339-L676 HydrophobicContact CG-CB 4.14Å; F339-L676 HydrophobicContact CG-CD1 4.07Å; L608-L676 HydrophobicContact CD2-CD1 3.84Å; I612-L676 HydrophobicContact CD1-CG 4.28Å; I612-L676 HydrophobicContact CG1-CD2 3.99Å; I612-L676 HydrophobicContact CG1-CG 4.14Å; F672-L676 WeakPolarHBondContact O-CB 3.33Å; F672-L676 WeakPolarHBondContact O-CD1 3.45Å; F672-L676 WeakPolarHBondContact O-CG 3.49Å; F672-L676 PolarHBondContact O-N 3.37Å; C673-L676 CarbonylContact O-C 3.59Å; C673-L676 PolarHBondContact O-N 3.49Å; L676-A680 VanDerWaalsContact O-CB 3.28Å; L676-A680 WeakPolarHBondContact O-CB 3.18Å; L676-A680 PolarHBondContact O-N 2.88Å
677	E	64.1	Low	64	Low	53 Å²	53	28.4 Å²	28.4	25%	0.248	15%	0.153	C	C	.	.	H	α-helix	trans	-69.4	-42.7	173.6	-173.8	161.9	-142.7	0	0	111.1	C673 D674 I675 A680 E681 N726 I727	C673-E677 WeakPolarHBondContact O-CB 3.17Å; C673-E677 PolarHBondContact O-N 2.97Å; D674-E677 PolarHBondContact O-N 3.27Å; I675-E677 VanDerWaalsContact C-N 3.32Å; I675-E677 PolarHBondContact O-N 3.37Å; E677-A680 PolarHBondContact O-N 3.29Å; E677-E681 WeakPolarHBondContact O-CB 3.34Å; E677-E681 PolarHBondContact O-N 2.99Å; E677-N726 PolarHBondContact OE1-ND2 3.2Å; E677-I727 HydrophobicContact CB-CD1 3.92Å; E677-I727 HydrophobicContact CG-CD1 3.8Å; E677-I727 HydrophobicContact CG-CG1 4.4Å
678	I	70.2	Confident	64.6	Low	34 Å²	34	26.2 Å²	26.2	17%	0.174	15%	0.145	C	C	.	.	H	α-helix	trans	-63.1	-43.1	172.4	-63.9	159.5	0	0	0	111.1	L639 E642 L646 D674 I675 A680 E681 F682	L639-I678 HydrophobicContact CD1-CG2 3.67Å; E642-I678 HydrophobicContact CB-CD1 4.22Å; E642-I678 HydrophobicContact CB-CG2 4.26Å; L646-I678 HydrophobicContact CD1-CD1 3.45Å; L646-I678 VanDerWaalsContact CD1-CD1 3.45Å; L646-I678 HydrophobicContact CG-CD1 4.45Å; D674-I678 WeakPolarHBondContact O-CD1 3.39Å; D674-I678 WeakPolarHBondContact O-CG1 3.37Å; D674-I678 PolarHBondContact O-N 3.34Å; I675-I678 PolarHBondContact O-N 2.9Å; I678-A680 VanDerWaalsContact C-N 3.35Å; I678-E681 PolarHBondContact O-N 3.42Å; I678-F682 PolarHBondContact O-N 3.43Å
679	I	69.3	Low	65.3	Low	4 Å²	4	24.2 Å²	24.2	2%	0.021	13%	0.132	C	C	.	.	H	α-helix	trans	-61.9	-42.2	175.9	-77.2	168.6	0	0	0	110.9	L343 I612 C615 F619 L639 I643 I675 F682 S683	L343-I679 HydrophobicContact CD1-CG2 3.29Å; I612-I679 HydrophobicContact CG1-CD1 4.37Å; I612-I679 HydrophobicContact CG2-CD1 4.22Å; C615-I679 HydrophobicContact CB-CD1 3.86Å; C615-I679 HydrophobicContact CB-CG2 4.17Å; F619-I679 HydrophobicContact CE2-CG2 4.18Å; L639-I679 HydrophobicContact CD1-CG1 4.15Å; I643-I679 HydrophobicContact CD1-CD1 4.1Å; I643-I679 HydrophobicContact CD1-CG1 4.03Å; I675-I679 HydrophobicContact CG2-CD1 3.66Å; I675-I679 HydrophobicContact CG2-CG1 4.44Å; I675-I679 WeakPolarHBondContact O-CB 3.42Å; I675-I679 VanDerWaalsContact O-CG1 3.28Å; I675-I679 WeakPolarHBondContact O-CG1 3.39Å; I675-I679 PolarHBondContact O-N 2.92Å; I679-F682 PolarHBondContact O-N 3.08Å; I679-S683 WeakPolarHBondContact O-CB 3.22Å; I679-S683 PolarHBondContact O-N 2.84Å; I679-S683 PolarHBondContact O-OG 3.44Å
680	A	62.8	Low	65.5	Low	13 Å²	13	22.9 Å²	22.9	11%	0.107	13%	0.125	C	C	.	.	H	α-helix	trans	-66.2	-41	175.2	0	0	0	0	0	111.8	L676 E677 I678 S683 I684 I727	L676-A680 VanDerWaalsContact O-CB 3.28Å; L676-A680 WeakPolarHBondContact O-CB 3.18Å; L676-A680 PolarHBondContact O-N 2.88Å; E677-A680 PolarHBondContact O-N 3.29Å; I678-A680 VanDerWaalsContact C-N 3.35Å; A680-S683 WeakPolarHBondContact O-CB 3.42Å; A680-S683 PolarHBondContact O-N 3.31Å; A680-I684 WeakPolarHBondContact O-CB 3.33Å; A680-I684 WeakPolarHBondContact O-CD1 3.49Å; A680-I684 VanDerWaalsContact O-CG1 3.27Å; A680-I684 WeakPolarHBondContact O-CG1 3.38Å; A680-I684 PolarHBondContact O-N 2.96Å; A680-I727 HydrophobicContact CB-CD1 3.83Å
681	E	63.5	Low	65.2	Low	71 Å²	71	24.9 Å²	24.9	33%	0.332	13%	0.13	S	C	.	.	H	α-helix	trans	-58.5	-49.9	173.8	-167.9	-168.2	141.5	0	0	110.8	E677 I678 S683 I684 Q685	E677-E681 WeakPolarHBondContact O-CB 3.34Å; E677-E681 PolarHBondContact O-N 2.99Å; I678-E681 PolarHBondContact O-N 3.42Å; E681-S683 VanDerWaalsContact C-N 3.31Å; E681-S683 PolarHBondContact O-N 2.75Å; E681-I684 PolarHBondContact O-N 2.78Å; E681-Q685 VanDerWaalsContact O-CG 3.27Å; E681-Q685 WeakPolarHBondContact O-CG 3.44Å; E681-Q685 PolarHBondContact O-N 2.97Å; E681-Q685 PolarHBondContact OE1-NE2 3.48Å
682	F	70.6	Confident	65.1	Low	8 Å²	8	25.2 Å²	25.2	4%	0.035	13%	0.132	C	C	.	.	H	α-helix	trans	-55.7	-45.9	174.8	-180	-79.8	0	0	0	111.6	F619 Y632 M635 L636 L639 I678 I679 I684 Q685 F686	F619-F682 HydrophobicContact CB-CE1 4.24Å; F619-F682 HydrophobicContact CB-CZ 4.48Å; F619-F682 AromaticContact CD1-CD1 3.96Å; F619-F682 HydrophobicContact CD1-CD1 3.96Å; F619-F682 AromaticContact CD1-CE1 3.42Å; F619-F682 HydrophobicContact CD1-CE1 3.42Å; F619-F682 VanDerWaalsContact CD1-CE1 3.42Å; F619-F682 HydrophobicContact CD1-CZ 4.38Å; F619-F682 HydrophobicContact CD2-CD1 4.18Å; F619-F682 HydrophobicContact CD2-CE1 4.12Å; F619-F682 AromaticContact CE1-CD1 3.74Å; F619-F682 HydrophobicContact CE1-CD1 3.74Å; F619-F682 AromaticContact CE1-CE1 3.65Å; F619-F682 HydrophobicContact CE1-CE1 3.65Å; F619-F682 AromaticContact CE2-CD1 3.98Å; F619-F682 HydrophobicContact CE2-CD1 3.98Å; F619-F682 HydrophobicContact CE2-CE1 4.31Å; F619-F682 HydrophobicContact CG-CD1 4.17Å; F619-F682 AromaticContact CG-CE1 3.67Å; F619-F682 HydrophobicContact CG-CE1 3.67Å; F619-F682 HydrophobicContact CG-CZ 4.36Å; F619-F682 AromaticContact CZ-CD1 3.74Å; F619-F682 HydrophobicContact CZ-CD1 3.74Å; F619-F682 HydrophobicContact CZ-CE1 4.09Å; Y632-F682 HydrophobicContact CE2-CE1 4.34Å; Y632-F682 AromaticContact CE2-CZ 3.83Å; Y632-F682 HydrophobicContact CE2-CZ 3.83Å; M635-F682 HydrophobicContact CB-CE2 4.06Å; M635-F682 HydrophobicContact CE-CB 4.48Å; M635-F682 HydrophobicContact CE-CD1 4.39Å; M635-F682 HydrophobicContact CE-CD2 3.64Å; M635-F682 HydrophobicContact CE-CE2 3.89Å; M635-F682 HydrophobicContact CE-CG 3.91Å; M635-F682 HydrophobicContact CE-CZ 4.34Å; M635-F682 WeakPolarHBondContact CE-O 3.32Å; M635-F682 HydrophobicContact CG-CD2 3.79Å; M635-F682 HydrophobicContact CG-CE2 3.49Å; M635-F682 VanDerWaalsContact CG-CE2 3.49Å; M635-F682 HydrophobicContact CG-CZ 4.37Å; M635-F682 HydrophobicContact SD-CD2 4.1Å; M635-F682 HydrophobicContact SD-CE2 3.73Å; M635-F682 HydrophobicContact SD-CZ 4.09Å; L636-F682 HydrophobicContact CD1-CZ 4.34Å; L639-F682 HydrophobicContact CB-CD2 3.85Å; L639-F682 HydrophobicContact CB-CE2 4.18Å; L639-F682 HydrophobicContact CD1-CB 4.22Å; L639-F682 HydrophobicContact CD1-CD2 4.46Å; L639-F682 HydrophobicContact CD1-CG 4.5Å; L639-F682 HydrophobicContact CD2-CB 4.4Å; L639-F682 HydrophobicContact CD2-CD1 4.23Å; L639-F682 HydrophobicContact CD2-CD2 3.75Å; L639-F682 HydrophobicContact CD2-CE1 4.49Å; L639-F682 HydrophobicContact CD2-CE2 3.99Å; L639-F682 HydrophobicContact CD2-CG 3.88Å; L639-F682 HydrophobicContact CD2-CZ 4.37Å; L639-F682 HydrophobicContact CG-CD2 4.23Å; I678-F682 PolarHBondContact O-N 3.43Å; I679-F682 PolarHBondContact O-N 3.08Å; F682-I684 VanDerWaalsContact C-N 3.35Å; F682-I684 PolarHBondContact O-N 3.25Å; F682-Q685 PolarHBondContact O-N 3.04Å; F682-F686 WeakPolarHBondContact O-CB 3.32Å; F682-F686 PolarHBondContact O-N 3.49Å
683	S	63.7	Low	65	Low	4 Å²	4	24.6 Å²	24.6	3%	0.028	13%	0.129	C	C	.	.	H	α-helix	trans	-60.1	-44	178.9	-54.3	0	0	0	0	111.9	L343 F619 I679 A680 E681 F686 T687	L343-S683 WeakPolarHBondContact CD2-OG 3.37Å; F619-S683 WeakPolarHBondContact CZ-OG 3.39Å; I679-S683 WeakPolarHBondContact O-CB 3.22Å; I679-S683 PolarHBondContact O-N 2.84Å; I679-S683 PolarHBondContact O-OG 3.44Å; A680-S683 WeakPolarHBondContact O-CB 3.42Å; A680-S683 PolarHBondContact O-N 3.31Å; E681-S683 VanDerWaalsContact C-N 3.31Å; E681-S683 PolarHBondContact O-N 2.75Å; S683-F686 PolarHBondContact O-N 3.01Å; S683-T687 WeakPolarHBondContact O-CB 3.4Å; S683-T687 PolarHBondContact O-N 3.23Å; S683-T687 PolarHBondContact O-OG1 3.26Å
684	I	59.2	Low	64.8	Low	28 Å²	28	25.5 Å²	25.5	14%	0.144	13%	0.131	C	C	.	.	H	α-helix	trans	-67.1	-45.9	178.2	-71.2	163	0	0	0	110.6	F342 A680 E681 F682 F686 T687 C688 V721 L723	F342-I684 HydrophobicContact CE1-CG1 4.02Å; F342-I684 HydrophobicContact CZ-CG1 3.92Å; A680-I684 WeakPolarHBondContact O-CB 3.33Å; A680-I684 WeakPolarHBondContact O-CD1 3.49Å; A680-I684 VanDerWaalsContact O-CG1 3.27Å; A680-I684 WeakPolarHBondContact O-CG1 3.38Å; A680-I684 PolarHBondContact O-N 2.96Å; E681-I684 PolarHBondContact O-N 2.78Å; F682-I684 VanDerWaalsContact C-N 3.35Å; F682-I684 PolarHBondContact O-N 3.25Å; I684-F686 VanDerWaalsContact C-N 3.28Å; I684-F686 PolarHBondContact O-N 3.18Å; I684-T687 PolarHBondContact O-N 2.78Å; I684-C688 VanDerWaalsContact O-CB 3.31Å; I684-C688 WeakPolarHBondContact O-CB 3.42Å; I684-C688 PolarHBondContact O-N 2.89Å; I684-C688 PolarHBondContact O-SG 3.5Å; I684-C688 VanDerWaalsContact O-SG 3.33Å; I684-V721 HydrophobicContact CG2-CG1 3.94Å; I684-L723 HydrophobicContact CD1-CD1 3.91Å; I684-L723 HydrophobicContact CD1-CD2 3.67Å; I684-L723 HydrophobicContact CD1-CG 3.93Å
685	Q	65.1	Low	64.3	Low	13 Å²	13	25.3 Å²	25.3	6%	0.061	13%	0.13	C	C	.	.	H	α-helix	trans	-58.1	-42.6	176	-69	177.2	2.8	0	0	111	M635 E681 F682 F689 S718	M635-Q685 HydrophobicContact CE-CB 3.4Å; M635-Q685 HydrophobicContact CE-CG 4.44Å; E681-Q685 VanDerWaalsContact O-CG 3.27Å; E681-Q685 WeakPolarHBondContact O-CG 3.44Å; E681-Q685 PolarHBondContact O-N 2.97Å; E681-Q685 PolarHBondContact OE1-NE2 3.48Å; F682-Q685 PolarHBondContact O-N 3.04Å; Q685-F689 WeakPolarHBondContact O-CB 3.28Å; Q685-F689 PolarHBondContact O-N 3.07Å; Q685-S718 VanDerWaalsContact CG-O 3.31Å; Q685-S718 WeakPolarHBondContact CG-O 3.36Å; Q685-S718 WeakPolarHBondContact O-CB 3.29Å
686	F	65.5	Low	63.9	Low	19 Å²	19	25.3 Å²	25.3	8%	0.083	13%	0.13	C	C	.	.	H	α-helix	trans	-64.7	-45.3	174.5	-179.4	-91.8	0	0	0	113	W376 L622 Y632 F682 S683 I684 F689 N690	W376-F686 HydrophobicContact CD2-CE2 4.16Å; W376-F686 AromaticContact CD2-CZ 3.97Å; W376-F686 HydrophobicContact CD2-CZ 3.97Å; W376-F686 AromaticContact CE2-CE2 3.85Å; W376-F686 AromaticContact CE2-CZ 3.8Å; W376-F686 HydrophobicContact CE3-CE2 4.03Å; W376-F686 HydrophobicContact CE3-CZ 4.18Å; W376-F686 HydrophobicContact CH2-CD2 4.24Å; W376-F686 AromaticContact CH2-CE2 3.4Å; W376-F686 HydrophobicContact CH2-CE2 3.4Å; W376-F686 HydrophobicContact CH2-CZ 4.18Å; W376-F686 HydrophobicContact CZ2-CD2 4.4Å; W376-F686 AromaticContact CZ2-CE2 3.51Å; W376-F686 HydrophobicContact CZ2-CE2 3.51Å; W376-F686 AromaticContact CZ2-CZ 3.94Å; W376-F686 HydrophobicContact CZ2-CZ 3.94Å; W376-F686 AromaticContact CZ3-CE2 3.64Å; W376-F686 HydrophobicContact CZ3-CE2 3.64Å; W376-F686 HydrophobicContact CZ3-CZ 4.25Å; L622-F686 HydrophobicContact CD1-CE2 4.39Å; L622-F686 HydrophobicContact CD1-CZ 4.08Å; Y632-F686 HydrophobicContact CD2-CD2 4.33Å; Y632-F686 HydrophobicContact CD2-CE2 4.33Å; Y632-F686 AromaticContact CE2-CD2 3.86Å; Y632-F686 HydrophobicContact CE2-CD2 3.86Å; Y632-F686 AromaticContact CE2-CE2 3.82Å; Y632-F686 HydrophobicContact CE2-CE2 3.82Å; F682-F686 WeakPolarHBondContact O-CB 3.32Å; F682-F686 PolarHBondContact O-N 3.49Å; S683-F686 PolarHBondContact O-N 3.01Å; I684-F686 VanDerWaalsContact C-N 3.28Å; I684-F686 PolarHBondContact O-N 3.18Å; F686-F689 WeakPolarHBondContact O-CB 3.45Å; F686-F689 PolarHBondContact O-N 3.45Å; F686-N690 WeakPolarHBondContact CD1-ND2 3.48Å; F686-N690 WeakPolarHBondContact CE1-ND2 3.26Å; F686-N690 PolarHBondContact O-N 3.13Å; F686-N690 VanDerWaalsContact O-N 3.16Å; F686-N690 PolarHBondContact O-ND2 2.76Å
687	T	58.8	Low	63.6	Low	64 Å²	64	26 Å²	26	39%	0.393	13%	0.133	S	C	.	.	H	α-helix	trans	-63.7	-47.8	176.4	-59.4	0	0	0	0	111.2	S683 I684 F689 N690 E691	S683-T687 WeakPolarHBondContact O-CB 3.4Å; S683-T687 PolarHBondContact O-N 3.23Å; S683-T687 PolarHBondContact O-OG1 3.26Å; I684-T687 PolarHBondContact O-N 2.78Å; T687-F689 VanDerWaalsContact C-N 3.29Å; T687-F689 PolarHBondContact O-N 3.48Å; T687-N690 PolarHBondContact O-N 3.35Å; T687-N690 VanDerWaalsContact O-N 3.15Å; T687-E691 WeakPolarHBondContact O-CG 3.49Å; T687-E691 PolarHBondContact O-N 3.37Å
688	C	58.9	Low	63.1	Low	14 Å²	14	25.4 Å²	25.4	10%	0.095	13%	0.131	C	C	.	.	H	α-helix	trans	-59.4	-38.9	176.2	-72.3	0	0	0	0	111.8	I684 N690 E691 L692 V721	I684-C688 VanDerWaalsContact O-CB 3.31Å; I684-C688 WeakPolarHBondContact O-CB 3.42Å; I684-C688 PolarHBondContact O-N 2.89Å; I684-C688 PolarHBondContact O-SG 3.5Å; I684-C688 VanDerWaalsContact O-SG 3.33Å; C688-N690 PolarHBondContact O-N 2.74Å; C688-E691 PolarHBondContact O-N 3.24Å; C688-L692 WeakPolarHBondContact O-CB 3.36Å; C688-L692 WeakPolarHBondContact O-CG 3.46Å; C688-L692 PolarHBondContact O-N 3.38Å; C688-V721 HydrophobicContact CB-CG2 3.96Å
689	F	69.1	Low	62.5	Low	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-58.9	-47.3	174	179.9	-104.6	0	0	0	112.6	L628 W631 Q685 F686 T687 E691 L692 I693 L711 L714 C715	L628-F689 HydrophobicContact CD1-CE1 3.75Å; L628-F689 HydrophobicContact CD1-CZ 4Å; L628-F689 HydrophobicContact CD2-CE1 4.12Å; L628-F689 HydrophobicContact CD2-CZ 3.55Å; L628-F689 HydrophobicContact CG-CZ 4.43Å; W631-F689 HydrophobicContact CE3-CE1 4.32Å; W631-F689 HydrophobicContact CE3-CZ 4.39Å; W631-F689 HydrophobicContact CH2-CB 3.79Å; W631-F689 AromaticContact CH2-CD1 3.56Å; W631-F689 HydrophobicContact CH2-CD1 3.56Å; W631-F689 AromaticContact CH2-CD2 3.98Å; W631-F689 HydrophobicContact CH2-CD2 3.98Å; W631-F689 HydrophobicContact CH2-CE1 4.11Å; W631-F689 AromaticContact CH2-CG 3.47Å; W631-F689 HydrophobicContact CH2-CG 3.47Å; W631-F689 VanDerWaalsContact CH2-CG 3.47Å; W631-F689 HydrophobicContact CZ2-CB 4.27Å; W631-F689 HydrophobicContact CZ2-CD2 4.21Å; W631-F689 HydrophobicContact CZ2-CG 4.07Å; W631-F689 AromaticContact CZ3-CD1 3.57Å; W631-F689 HydrophobicContact CZ3-CD1 3.57Å; W631-F689 HydrophobicContact CZ3-CD2 4.36Å; W631-F689 AromaticContact CZ3-CE1 3.67Å; W631-F689 HydrophobicContact CZ3-CE1 3.67Å; W631-F689 HydrophobicContact CZ3-CE2 4.46Å; W631-F689 AromaticContact CZ3-CG 3.92Å; W631-F689 HydrophobicContact CZ3-CG 3.92Å; W631-F689 HydrophobicContact CZ3-CZ 4.12Å; Q685-F689 WeakPolarHBondContact O-CB 3.28Å; Q685-F689 PolarHBondContact O-N 3.07Å; F686-F689 WeakPolarHBondContact O-CB 3.45Å; F686-F689 PolarHBondContact O-N 3.45Å; T687-F689 VanDerWaalsContact C-N 3.29Å; T687-F689 PolarHBondContact O-N 3.48Å; F689-E691 PolarHBondContact O-N 2.96Å; F689-L692 PolarHBondContact O-N 3.17Å; F689-I693 HydrophobicContact CD1-CD1 4.12Å; F689-I693 HydrophobicContact CE1-CD1 3.34Å; F689-I693 HydrophobicContact CE1-CG1 4.33Å; F689-I693 HydrophobicContact CE2-CD1 4.12Å; F689-I693 HydrophobicContact CE2-CG1 4.43Å; F689-I693 HydrophobicContact CZ-CD1 3.35Å; F689-I693 HydrophobicContact CZ-CG1 4.12Å; F689-I693 PolarHBondContact O-N 2.97Å; F689-L711 HydrophobicContact CZ-CD1 4.28Å; F689-L714 HydrophobicContact CE2-CB 4.16Å; F689-C715 HydrophobicContact CE2-CB 4.38Å; F689-C715 WeakPolarHBondContact CE2-SG 3.34Å
690	N	62.5	Low	62.2	Low	16 Å²	16	31.9 Å²	31.9	9%	0.086	17%	0.169	C	C	.	.	H	α-helix	trans	-63.7	-39.4	176	-71.3	-55.8	0	0	0	111.9	L374 W376 F686 T687 C688 Y694	L374-N690 HydrophobicContact CD2-CB 4.26Å; W376-N690 PolarHBondContact NE1-OD1 3.06Å; W376-N690 VanDerWaalsContact NE1-OD1 3.16Å; F686-N690 WeakPolarHBondContact CD1-ND2 3.48Å; F686-N690 WeakPolarHBondContact CE1-ND2 3.26Å; F686-N690 PolarHBondContact O-N 3.13Å; F686-N690 VanDerWaalsContact O-N 3.16Å; F686-N690 PolarHBondContact O-ND2 2.76Å; T687-N690 PolarHBondContact O-N 3.35Å; T687-N690 VanDerWaalsContact O-N 3.15Å; C688-N690 PolarHBondContact O-N 2.74Å; N690-Y694 VanDerWaalsContact O-CB 3.28Å; N690-Y694 WeakPolarHBondContact O-CB 3.34Å; N690-Y694 PolarHBondContact O-N 2.97Å
691	E	58.3	Low	62.4	Low	80 Å²	80	34.8 Å²	34.8	37%	0.374	18%	0.178	S	C	.	.	H	α-helix	trans	-64.5	-38.8	173.6	-70.8	-170.8	151.1	0	0	112.7	T687 C688 F689 Y694 N695	T687-E691 WeakPolarHBondContact O-CG 3.49Å; T687-E691 PolarHBondContact O-N 3.37Å; C688-E691 PolarHBondContact O-N 3.24Å; F689-E691 PolarHBondContact O-N 2.96Å; E691-Y694 PolarHBondContact O-N 3.23Å; E691-N695 WeakPolarHBondContact O-CB 3.33Å; E691-N695 PolarHBondContact O-N 3.22Å; E691-N695 PolarHBondContact O-ND2 2.74Å
692	L	64	Low	62.6	Low	12 Å²	12	34 Å²	34	6%	0.063	18%	0.18	C	C	.	.	H	α-helix	trans	-64.3	-48.2	176.8	-72.5	167.5	0	0	0	111.1	C688 F689 Y694 N695 V696 L714 L717 F773	C688-L692 WeakPolarHBondContact O-CB 3.36Å; C688-L692 WeakPolarHBondContact O-CG 3.46Å; C688-L692 PolarHBondContact O-N 3.38Å; F689-L692 PolarHBondContact O-N 3.17Å; L692-Y694 VanDerWaalsContact C-N 3.33Å; L692-Y694 PolarHBondContact O-N 3.38Å; L692-N695 PolarHBondContact O-N 3.43Å; L692-V696 WeakPolarHBondContact O-CG2 3.33Å; L692-V696 PolarHBondContact O-N 2.68Å; L692-L714 HydrophobicContact CB-CD2 4.36Å; L692-L717 HydrophobicContact CD1-CB 4.19Å; L692-L717 HydrophobicContact CD1-CD2 3.89Å; L692-L717 HydrophobicContact CD1-CG 3.97Å; L692-L717 HydrophobicContact CD2-CD2 3.7Å; L692-L717 HydrophobicContact CG-CD2 4.47Å; L692-F773 HydrophobicContact CD2-CE1 4.13Å; L692-F773 HydrophobicContact CD2-CZ 3.7Å
693	I	66.5	Low	62.8	Low	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-58	-46.9	172.7	-73.3	178.1	0	0	0	110.6	L373 L374 F689 N695 V696 I697 L705 L711 L714	L373-I693 HydrophobicContact CB-CD1 4.17Å; L374-I693 HydrophobicContact CD1-CG2 4.02Å; L374-I693 HydrophobicContact CD2-CB 4.06Å; L374-I693 HydrophobicContact CD2-CG2 3.69Å; L374-I693 HydrophobicContact CG-CG2 3.7Å; F689-I693 HydrophobicContact CD1-CD1 4.12Å; F689-I693 HydrophobicContact CE1-CD1 3.34Å; F689-I693 HydrophobicContact CE1-CG1 4.33Å; F689-I693 HydrophobicContact CE2-CD1 4.12Å; F689-I693 HydrophobicContact CE2-CG1 4.43Å; F689-I693 HydrophobicContact CZ-CD1 3.35Å; F689-I693 HydrophobicContact CZ-CG1 4.12Å; F689-I693 PolarHBondContact O-N 2.97Å; I693-N695 VanDerWaalsContact C-N 3.33Å; I693-N695 PolarHBondContact O-N 3.41Å; I693-V696 WeakPolarHBondContact O-CB 3.42Å; I693-V696 PolarHBondContact O-N 3.08Å; I693-V696 VanDerWaalsContact O-N 3.09Å; I693-I697 HydrophobicContact CG2-CD1 3.57Å; I693-I697 HydrophobicContact CG2-CG1 4.3Å; I693-I697 WeakPolarHBondContact O-CG1 3.25Å; I693-I697 PolarHBondContact O-N 3.45Å; I693-L705 HydrophobicContact CG1-CD2 4.38Å; I693-L705 HydrophobicContact CG2-CD1 4.02Å; I693-L711 HydrophobicContact CD1-CD1 4.34Å; I693-L714 HydrophobicContact CG1-CD1 4.12Å
694	Y	60.3	Low	63.4	Low	31 Å²	31	38.3 Å²	38.3	12%	0.122	20%	0.196	C	C	.	.	H	α-helix	trans	-61.5	-39.8	-179	-178.5	-119.8	0	0	0	112.5	F365 L368 N690 E691 L692 V696 I697 L698	F365-Y694 HydrophobicContact CB-CE2 4.12Å; F365-Y694 HydrophobicContact CD1-CD1 4.14Å; F365-Y694 AromaticContact CD1-CD2 3.23Å; F365-Y694 HydrophobicContact CD1-CD2 3.23Å; F365-Y694 HydrophobicContact CD1-CE1 4.14Å; F365-Y694 AromaticContact CD1-CE2 3.27Å; F365-Y694 HydrophobicContact CD1-CE2 3.27Å; F365-Y694 AromaticContact CD1-CG 3.69Å; F365-Y694 HydrophobicContact CD1-CG 3.69Å; F365-Y694 AromaticContact CD1-CZ 3.73Å; F365-Y694 AromaticContact CE1-CD1 3.97Å; F365-Y694 HydrophobicContact CE1-CD1 3.97Å; F365-Y694 AromaticContact CE1-CD2 3.49Å; F365-Y694 HydrophobicContact CE1-CD2 3.49Å; F365-Y694 VanDerWaalsContact CE1-CD2 3.49Å; F365-Y694 HydrophobicContact CE1-CE1 4.38Å; F365-Y694 AromaticContact CE1-CE2 3.99Å; F365-Y694 HydrophobicContact CE1-CE2 3.99Å; F365-Y694 AromaticContact CE1-CG 3.48Å; F365-Y694 HydrophobicContact CE1-CG 3.48Å; F365-Y694 VanDerWaalsContact CE1-CG 3.48Å; F365-Y694 HydrophobicContact CG-CD2 4.03Å; F365-Y694 AromaticContact CG-CE2 3.97Å; F365-Y694 HydrophobicContact CG-CE2 3.97Å; F365-Y694 HydrophobicContact CZ-CD2 4.45Å; F365-Y694 HydrophobicContact CZ-CG 4.46Å; L368-Y694 HydrophobicContact CD1-CE2 4.34Å; N690-Y694 VanDerWaalsContact O-CB 3.28Å; N690-Y694 WeakPolarHBondContact O-CB 3.34Å; N690-Y694 PolarHBondContact O-N 2.97Å; E691-Y694 PolarHBondContact O-N 3.23Å; L692-Y694 VanDerWaalsContact C-N 3.33Å; L692-Y694 PolarHBondContact O-N 3.38Å; Y694-V696 VanDerWaalsContact C-N 3.31Å; Y694-V696 PolarHBondContact O-N 3.37Å; Y694-I697 PolarHBondContact O-N 2.94Å; Y694-L698 HydrophobicContact CD1-CD1 3.76Å; Y694-L698 HydrophobicContact CD1-CG 4.19Å; Y694-L698 HydrophobicContact CD2-CG 4.18Å; Y694-L698 HydrophobicContact CE1-CD1 3.27Å; Y694-L698 HydrophobicContact CE1-CD2 4.43Å; Y694-L698 HydrophobicContact CE1-CG 3.79Å; Y694-L698 HydrophobicContact CE2-CD1 4.21Å; Y694-L698 HydrophobicContact CE2-CD2 4.07Å; Y694-L698 HydrophobicContact CE2-CG 3.75Å; Y694-L698 HydrophobicContact CG-CD1 4.43Å; Y694-L698 HydrophobicContact CG-CG 4.38Å; Y694-L698 VanDerWaalsContact O-CB 3.25Å; Y694-L698 WeakPolarHBondContact O-CB 3.44Å; Y694-L698 WeakPolarHBondContact O-CG 3.49Å; Y694-L698 PolarHBondContact O-N 2.97Å
695	N	57.2	Low	64.2	Low	60 Å²	60	37 Å²	37	32%	0.321	19%	0.189	S	C	.	.	H	α-helix	trans	-63.1	-33.8	174.3	-78.7	-48.6	0	0	0	112.9	E691 L692 I693 C699 M776	E691-N695 WeakPolarHBondContact O-CB 3.33Å; E691-N695 PolarHBondContact O-N 3.22Å; E691-N695 PolarHBondContact O-ND2 2.74Å; L692-N695 PolarHBondContact O-N 3.43Å; I693-N695 VanDerWaalsContact C-N 3.33Å; I693-N695 PolarHBondContact O-N 3.41Å; N695-C699 PolarHBondContact O-N 2.94Å; N695-C699 PolarHBondContact O-SG 2.95Å; N695-C699 VanDerWaalsContact O-SG 3.32Å; N695-M776 HydrophobicContact CB-CE 4.28Å
696	V	64.7	Low	64.8	Low	1 Å²	1	41.5 Å²	41.5	1%	0.006	21%	0.214	C	C	.	.	H	α-helix	trans	-68.8	-47	173.9	177.5	0	0	0	0	111.1	L692 I693 Y694 C699 Y701 M704 L705 F710 L714 F773	L692-V696 WeakPolarHBondContact O-CG2 3.33Å; L692-V696 PolarHBondContact O-N 2.68Å; I693-V696 WeakPolarHBondContact O-CB 3.42Å; I693-V696 PolarHBondContact O-N 3.08Å; I693-V696 VanDerWaalsContact O-N 3.09Å; Y694-V696 VanDerWaalsContact C-N 3.31Å; Y694-V696 PolarHBondContact O-N 3.37Å; V696-C699 PolarHBondContact O-N 2.99Å; V696-Y701 WeakPolarHBondContact CG1-O 3.43Å; V696-Y701 PolarHBondContact O-N 2.79Å; V696-M704 HydrophobicContact CG1-CB 4.35Å; V696-L705 HydrophobicContact CB-CD1 4.49Å; V696-L705 HydrophobicContact CB-CD2 4.17Å; V696-L705 HydrophobicContact CB-CG 4.38Å; V696-L705 HydrophobicContact CG1-CD1 4.2Å; V696-L705 HydrophobicContact CG1-CD2 3.92Å; V696-L705 HydrophobicContact CG1-CG 3.77Å; V696-L705 HydrophobicContact CG2-CD2 4.45Å; V696-F710 HydrophobicContact CG1-CE1 4.15Å; V696-F710 HydrophobicContact CG2-CE1 3.81Å; V696-F710 HydrophobicContact CG2-CZ 3.93Å; V696-L714 HydrophobicContact CG2-CD1 4.22Å; V696-F773 HydrophobicContact CG2-CD2 3.73Å; V696-F773 HydrophobicContact CG2-CE2 3.42Å; V696-F773 VanDerWaalsContact CG2-CE2 3.42Å; V696-F773 HydrophobicContact CG2-CZ 4.4Å
697	I	61.5	Low	65.4	Low	21 Å²	21	41.9 Å²	41.9	11%	0.108	22%	0.219	C	C	.	.	H	α-helix	trans	-60.4	-48	177.4	-63.6	159.9	0	0	0	110.6	H371 L374 I693 Y694 C699 D700 L705	H371-I697 HydrophobicContact CB-CD1 3.37Å; H371-I697 HydrophobicContact CB-CG1 4.03Å; L374-I697 HydrophobicContact CD1-CD1 3.48Å; L374-I697 VanDerWaalsContact CD1-CD1 3.48Å; L374-I697 HydrophobicContact CG-CD1 4.26Å; I693-I697 HydrophobicContact CG2-CD1 3.57Å; I693-I697 HydrophobicContact CG2-CG1 4.3Å; I693-I697 WeakPolarHBondContact O-CG1 3.25Å; I693-I697 PolarHBondContact O-N 3.45Å; Y694-I697 PolarHBondContact O-N 2.94Å; I697-C699 PolarHBondContact O-N 3.49Å; I697-C699 VanDerWaalsContact O-N 3.12Å; I697-D700 PolarHBondContact O-N 3Å; I697-D700 VanDerWaalsContact O-N 3.13Å; I697-L705 HydrophobicContact CD1-CD1 4.31Å; I697-L705 HydrophobicContact CG1-CD1 3.73Å
698	L	53.2	Low	66.2	Low	40 Å²	40	43 Å²	43	21%	0.209	22%	0.223	C	C	.	.	H	α-helix	trans	-59.7	-24	-177.9	-92.3	-173.3	0	0	0	114.1	R246 L368 Y694	R246-L698 PolarHBondContact NH1-O 2.99Å; R246-L698 PolarHBondContact NH2-O 2.82Å; L368-L698 HydrophobicContact CD1-CD2 4.08Å; Y694-L698 HydrophobicContact CD1-CD1 3.76Å; Y694-L698 HydrophobicContact CD1-CG 4.19Å; Y694-L698 HydrophobicContact CD2-CG 4.18Å; Y694-L698 HydrophobicContact CE1-CD1 3.27Å; Y694-L698 HydrophobicContact CE1-CD2 4.43Å; Y694-L698 HydrophobicContact CE1-CG 3.79Å; Y694-L698 HydrophobicContact CE2-CD1 4.21Å; Y694-L698 HydrophobicContact CE2-CD2 4.07Å; Y694-L698 HydrophobicContact CE2-CG 3.75Å; Y694-L698 HydrophobicContact CG-CD1 4.43Å; Y694-L698 HydrophobicContact CG-CG 4.38Å; Y694-L698 VanDerWaalsContact O-CB 3.25Å; Y694-L698 WeakPolarHBondContact O-CB 3.44Å; Y694-L698 WeakPolarHBondContact O-CG 3.49Å; Y694-L698 PolarHBondContact O-N 2.97Å
699	C	58.8	Low	66.8	Low	35 Å²	35	46.6 Å²	46.6	24%	0.236	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	17.7	-177.8	-69.9	0	0	0	0	112.7	R246 N695 V696 I697 Y701 M776	R246-C699 PolarHBondContact NH2-SG 2.99Å; N695-C699 PolarHBondContact O-N 2.94Å; N695-C699 PolarHBondContact O-SG 2.95Å; N695-C699 VanDerWaalsContact O-SG 3.32Å; V696-C699 PolarHBondContact O-N 2.99Å; I697-C699 PolarHBondContact O-N 3.49Å; I697-C699 VanDerWaalsContact O-N 3.12Å; C699-Y701 HydrophobicContact CB-CD2 3.62Å; C699-Y701 HydrophobicContact CB-CE2 4.1Å; C699-Y701 VanDerWaalsContact O-CD2 3.26Å; C699-Y701 WeakPolarHBondContact O-CD2 3.47Å; C699-Y701 PolarHBondContact O-N 3.37Å; C699-Y701 VanDerWaalsContact O-N 3.16Å; C699-M776 HydrophobicContact CB-SD 3.63Å; C699-M776 PolarHBondContact SG-SD 3.38Å
700	D	61.4	Low	67.2	Low	139 Å²	139	46.7 Å²	46.7	74%	0.743	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.5	23.4	-177.4	-58.2	-37.9	0	0	0	113.6	I697	I697-D700 PolarHBondContact O-N 3Å; I697-D700 VanDerWaalsContact O-N 3.13Å
701	Y	68.1	Low	68.1	Low	75 Å²	75	46.1 Å²	46.1	29%	0.294	24%	0.237	S	C	.	.			trans	-101	25.2	178.3	-70.1	-52.8	0	0	0	112.7	V696 C699 Y703 M704 K772 M776	V696-Y701 WeakPolarHBondContact CG1-O 3.43Å; V696-Y701 PolarHBondContact O-N 2.79Å; C699-Y701 HydrophobicContact CB-CD2 3.62Å; C699-Y701 HydrophobicContact CB-CE2 4.1Å; C699-Y701 VanDerWaalsContact O-CD2 3.26Å; C699-Y701 WeakPolarHBondContact O-CD2 3.47Å; C699-Y701 PolarHBondContact O-N 3.37Å; C699-Y701 VanDerWaalsContact O-N 3.16Å; Y701-Y703 AromaticContact CD1-CE1 3.64Å; Y701-Y703 HydrophobicContact CD1-CE1 3.64Å; Y701-Y703 HydrophobicContact CE1-CE1 4.31Å; Y701-Y703 PolarHBondContact O-N 2.91Å; Y701-Y703 VanDerWaalsContact O-N 3.12Å; Y701-M704 HydrophobicContact CD1-SD 3.96Å; Y701-M704 HydrophobicContact CG-SD 3.84Å; Y701-M704 VanDerWaalsContact O-CB 3.3Å; Y701-M704 WeakPolarHBondContact O-CB 3.35Å; Y701-M704 PolarHBondContact O-N 3.46Å; Y701-K772 HydrophobicContact CE1-CD 4.42Å; Y701-K772 VanDerWaalsContact CE1-CE 3.47Å; Y701-M776 HydrophobicContact CD2-SD 4.2Å
702	S	68.1	Low	69	Low	53 Å²	53	46.7 Å²	46.7	37%	0.371	24%	0.243	S	C	.	.	H	α-helix	trans	-51.6	-36.5	178.2	52.3	0	0	0	0	113	M704 L705	S702-M704 PolarHBondContact O-N 3.18Å; S702-L705 VanDerWaalsContact O-CB 3.27Å; S702-L705 WeakPolarHBondContact O-CB 3.4Å; S702-L705 PolarHBondContact O-N 3.47Å
703	Y	74.2	Confident	69.7	Low	100 Å²	100	46.9 Å²	46.9	39%	0.392	24%	0.243	S	C	.	.	H	α-helix	trans	-57.1	-22	175.4	79.5	-100.1	0	0	0	114.2	Y701 L705 D706 E764 K772	Y701-Y703 AromaticContact CD1-CE1 3.64Å; Y701-Y703 HydrophobicContact CD1-CE1 3.64Å; Y701-Y703 HydrophobicContact CE1-CE1 4.31Å; Y701-Y703 PolarHBondContact O-N 2.91Å; Y701-Y703 VanDerWaalsContact O-N 3.12Å; Y703-L705 VanDerWaalsContact C-N 3.3Å; Y703-D706 WeakPolarHBondContact O-CB 3.47Å; Y703-D706 PolarHBondContact O-N 3.21Å; Y703-E764 PolarHBondContact OH-OE2 2.92Å; Y703-K772 PolarHBondContact OH-NZ 3.37Å
704	M	75.3	Confident	70.1	Confident	3 Å²	3	46.9 Å²	46.9	2%	0.015	24%	0.243	C	C	.	.	H	α-helix	trans	-72.1	-28.1	175.3	-62.9	179.6	54.8	0	0	111.3	V696 Y701 S702 D706 S707 F710 M769 K772 F773	V696-M704 HydrophobicContact CG1-CB 4.35Å; Y701-M704 HydrophobicContact CD1-SD 3.96Å; Y701-M704 HydrophobicContact CG-SD 3.84Å; Y701-M704 VanDerWaalsContact O-CB 3.3Å; Y701-M704 WeakPolarHBondContact O-CB 3.35Å; Y701-M704 PolarHBondContact O-N 3.46Å; S702-M704 PolarHBondContact O-N 3.18Å; M704-D706 VanDerWaalsContact C-N 3.25Å; M704-D706 PolarHBondContact O-N 2.91Å; M704-S707 WeakPolarHBondContact O-CB 3.44Å; M704-S707 PolarHBondContact O-N 3.18Å; M704-F710 HydrophobicContact CB-CD1 3.82Å; M704-F710 HydrophobicContact CB-CE1 3.88Å; M704-F710 HydrophobicContact CB-CG 4.39Å; M704-F710 HydrophobicContact CE-CD2 3.99Å; M704-F710 HydrophobicContact CE-CE1 4.14Å; M704-F710 HydrophobicContact CE-CE2 3.58Å; M704-F710 HydrophobicContact CE-CG 4.44Å; M704-F710 HydrophobicContact CE-CZ 3.67Å; M704-F710 VanDerWaalsContact O-CD1 3.29Å; M704-F710 WeakPolarHBondContact O-CD1 3.17Å; M704-M769 HydrophobicContact CE-CB 3.74Å; M704-M769 HydrophobicContact CE-CG 4.06Å; M704-M769 VanDerWaalsContact CE-O 3.29Å; M704-M769 WeakPolarHBondContact CE-O 3.33Å; M704-K772 HydrophobicContact SD-CD 4.36Å; M704-F773 HydrophobicContact CE-CB 4.45Å
705	L	77.2	Confident	71.1	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-71.8	-18.2	175.9	-57.9	173.1	0	0	0	112.6	L373 R627 I693 V696 I697 S702 Y703 S707 F710 L714	L373-L705 HydrophobicContact CD1-CB 3.8Å; L373-L705 HydrophobicContact CD1-CD1 4.32Å; L373-L705 HydrophobicContact CD1-CD2 4.46Å; L373-L705 HydrophobicContact CD1-CG 4.42Å; R627-L705 VanDerWaalsContact CZ-O 3.27Å; R627-L705 PolarHBondContact NH1-O 3.46Å; R627-L705 PolarHBondContact NH2-O 3.05Å; I693-L705 HydrophobicContact CG1-CD2 4.38Å; I693-L705 HydrophobicContact CG2-CD1 4.02Å; V696-L705 HydrophobicContact CB-CD1 4.49Å; V696-L705 HydrophobicContact CB-CD2 4.17Å; V696-L705 HydrophobicContact CB-CG 4.38Å; V696-L705 HydrophobicContact CG1-CD1 4.2Å; V696-L705 HydrophobicContact CG1-CD2 3.92Å; V696-L705 HydrophobicContact CG1-CG 3.77Å; V696-L705 HydrophobicContact CG2-CD2 4.45Å; I697-L705 HydrophobicContact CD1-CD1 4.31Å; I697-L705 HydrophobicContact CG1-CD1 3.73Å; S702-L705 VanDerWaalsContact O-CB 3.27Å; S702-L705 WeakPolarHBondContact O-CB 3.4Å; S702-L705 PolarHBondContact O-N 3.47Å; Y703-L705 VanDerWaalsContact C-N 3.3Å; L705-S707 PolarHBondContact O-N 2.98Å; L705-F710 HydrophobicContact CD2-CD1 4.43Å; L705-F710 HydrophobicContact CD2-CE1 4.23Å; L705-L714 HydrophobicContact CD2-CD1 3.74Å
706	D	76.4	Confident	71.8	Confident	108 Å²	108	48.7 Å²	48.7	58%	0.578	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	-21.4	170.6	-61.3	-29.7	0	0	0	111.8	R627 Y703 M704 D708	R627-D706 PolarHBondContact NH2-O 2.92Å; Y703-D706 WeakPolarHBondContact O-CB 3.47Å; Y703-D706 PolarHBondContact O-N 3.21Å; M704-D706 VanDerWaalsContact C-N 3.25Å; M704-D706 PolarHBondContact O-N 2.91Å; D706-D708 PolarHBondContact O-N 2.94Å
707	S	78.1	Confident	72	Confident	28 Å²	28	48.9 Å²	48.9	20%	0.196	25%	0.25	C	S	.	.			trans	-80.9	111.7	173.7	-175	0	0	0	0	111.1	M704 L705 I709 F710 L711	M704-S707 WeakPolarHBondContact O-CB 3.44Å; M704-S707 PolarHBondContact O-N 3.18Å; L705-S707 PolarHBondContact O-N 2.98Å; S707-I709 PolarHBondContact O-N 3.46Å; S707-I709 VanDerWaalsContact O-N 3.16Å; S707-I709 PolarHBondContact OG-N 2.84Å; S707-F710 PolarHBondContact O-N 3.3Å; S707-F710 VanDerWaalsContact O-N 3.17Å; S707-F710 PolarHBondContact OG-N 3.17Å; S707-L711 WeakPolarHBondContact O-CB 3.37Å; S707-L711 PolarHBondContact O-N 3.35Å
708	D	76.1	Confident	72.3	Confident	88 Å²	88	47.9 Å²	47.9	47%	0.471	25%	0.245	S	C	.	.	H	α-helix	trans	-55.9	-28.7	169.7	-70.5	-27	0	0	0	112.4	R627 D706 N712	R627-D708 IonicContact CZ-OD1 2.75Å; R627-D708 VanDerWaalsContact CZ-OD1 3.23Å; R627-D708 IonicContact NE-OD1 3.54Å; R627-D708 PolarHBondContact NE-OD1 3.47Å; R627-D708 IonicContact NH2-OD1 2.95Å; R627-D708 PolarHBondContact NH2-OD1 2.91Å; D706-D708 PolarHBondContact O-N 2.94Å; D708-N712 VanDerWaalsContact O-CB 3.28Å; D708-N712 WeakPolarHBondContact O-CB 3.38Å; D708-N712 VanDerWaalsContact O-CG 3.3Å; D708-N712 PolarHBondContact O-N 3.37Å; D708-N712 PolarHBondContact O-ND2 2.95Å
709	I	72.9	Confident	73.1	Confident	89 Å²	89	48.9 Å²	48.9	46%	0.456	25%	0.251	S	S	.	.	H	α-helix	trans	-70.6	-46.2	178.8	-56	176.7	0	0	0	110.2	S707 N712 F713 E766	S707-I709 PolarHBondContact O-N 3.46Å; S707-I709 VanDerWaalsContact O-N 3.16Å; S707-I709 PolarHBondContact OG-N 2.84Å; I709-N712 PolarHBondContact O-N 3.31Å; I709-F713 PolarHBondContact O-N 3.26Å; I709-E766 HydrophobicContact CG2-CB 4.36Å; I709-E766 HydrophobicContact CG2-CG 3.68Å; I709-E766 WeakPolarHBondContact CG2-OE1 3.33Å
710	F	77.5	Confident	73.4	Confident	1 Å²	1	50.8 Å²	50.8	0%	0.004	26%	0.256	C	S	.	.	H	α-helix	trans	-67.3	-39	175.7	-178.4	-105.3	0	0	0	111.9	V696 M704 L705 S707 N712 F713 L714 M769 I770 F773	V696-F710 HydrophobicContact CG1-CE1 4.15Å; V696-F710 HydrophobicContact CG2-CE1 3.81Å; V696-F710 HydrophobicContact CG2-CZ 3.93Å; M704-F710 HydrophobicContact CB-CD1 3.82Å; M704-F710 HydrophobicContact CB-CE1 3.88Å; M704-F710 HydrophobicContact CB-CG 4.39Å; M704-F710 HydrophobicContact CE-CD2 3.99Å; M704-F710 HydrophobicContact CE-CE1 4.14Å; M704-F710 HydrophobicContact CE-CE2 3.58Å; M704-F710 HydrophobicContact CE-CG 4.44Å; M704-F710 HydrophobicContact CE-CZ 3.67Å; M704-F710 VanDerWaalsContact O-CD1 3.29Å; M704-F710 WeakPolarHBondContact O-CD1 3.17Å; L705-F710 HydrophobicContact CD2-CD1 4.43Å; L705-F710 HydrophobicContact CD2-CE1 4.23Å; S707-F710 PolarHBondContact O-N 3.3Å; S707-F710 VanDerWaalsContact O-N 3.17Å; S707-F710 PolarHBondContact OG-N 3.17Å; F710-N712 PolarHBondContact O-N 2.92Å; F710-F713 HydrophobicContact CD2-CD1 4.36Å; F710-F713 HydrophobicContact CE2-CD1 4.22Å; F710-F713 WeakPolarHBondContact O-CA 3.37Å; F710-F713 WeakPolarHBondContact O-CB 3.12Å; F710-F713 PolarHBondContact O-N 3.14Å; F710-L714 HydrophobicContact CD1-CD1 4.33Å; F710-L714 HydrophobicContact CD1-CG 4.41Å; F710-L714 HydrophobicContact CE1-CD1 3.81Å; F710-L714 HydrophobicContact CE1-CD2 4.17Å; F710-L714 HydrophobicContact CE1-CG 4.02Å; F710-L714 HydrophobicContact CE2-CD2 4.42Å; F710-L714 HydrophobicContact CZ-CD1 4.36Å; F710-L714 HydrophobicContact CZ-CD2 3.88Å; F710-L714 HydrophobicContact CZ-CG 4.21Å; F710-L714 PolarHBondContact O-N 3.18Å; F710-M769 HydrophobicContact CD2-CB 4.25Å; F710-I770 HydrophobicContact CD2-CG1 4.43Å; F710-F773 HydrophobicContact CE2-CB 3.81Å; F710-F773 HydrophobicContact CE2-CD1 4.48Å; F710-F773 HydrophobicContact CE2-CG 4.03Å; F710-F773 HydrophobicContact CZ-CB 3.98Å; F710-F773 HydrophobicContact CZ-CD1 4.46Å; F710-F773 AromaticContact CZ-CD2 3.87Å; F710-F773 HydrophobicContact CZ-CD2 3.87Å; F710-F773 HydrophobicContact CZ-CE2 4.49Å; F710-F773 AromaticContact CZ-CG 3.84Å; F710-F773 HydrophobicContact CZ-CG 3.84Å
711	L	79.8	Confident	73.2	Confident	4 Å²	4	44.7 Å²	44.7	2%	0.021	22%	0.224	C	C	.	.	H	α-helix	trans	-60.9	-44.9	174.1	-168.9	59.9	0	0	0	111.4	L373 R627 L628 F689 I693 S707 F713 L714 C715	L373-L711 HydrophobicContact CD1-CD1 3.91Å; L373-L711 HydrophobicContact CD1-CD2 4.17Å; L373-L711 HydrophobicContact CD2-CD2 3.98Å; R627-L711 HydrophobicContact CB-CD2 4.16Å; L628-L711 HydrophobicContact CD2-CD1 4.01Å; L628-L711 HydrophobicContact CD2-CD2 3.76Å; L628-L711 HydrophobicContact CD2-CG 3.89Å; F689-L711 HydrophobicContact CZ-CD1 4.28Å; I693-L711 HydrophobicContact CD1-CD1 4.34Å; S707-L711 WeakPolarHBondContact O-CB 3.37Å; S707-L711 PolarHBondContact O-N 3.35Å; L711-F713 VanDerWaalsContact C-N 3.27Å; L711-F713 PolarHBondContact O-N 3.09Å; L711-L714 PolarHBondContact O-N 3.28Å; L711-L714 VanDerWaalsContact O-N 3.13Å; L711-C715 PolarHBondContact O-N 2.94Å; L711-C715 PolarHBondContact O-SG 3.31Å
712	N	78.4	Confident	72.2	Confident	92 Å²	92	42.6 Å²	42.6	49%	0.492	22%	0.217	S	C	.	.	H	α-helix	trans	-62.1	-30.7	172.3	-82	-60.1	0	0	0	113.1	D708 I709 F710 K716	D708-N712 VanDerWaalsContact O-CB 3.28Å; D708-N712 WeakPolarHBondContact O-CB 3.38Å; D708-N712 VanDerWaalsContact O-CG 3.3Å; D708-N712 PolarHBondContact O-N 3.37Å; D708-N712 PolarHBondContact O-ND2 2.95Å; I709-N712 PolarHBondContact O-N 3.31Å; F710-N712 PolarHBondContact O-N 2.92Å; N712-K716 WeakPolarHBondContact O-CG 3.39Å; N712-K716 PolarHBondContact O-N 2.93Å
713	F	77.1	Confident	71.1	Confident	17 Å²	17	42.2 Å²	42.2	8%	0.075	21%	0.211	C	C	.	.	H	α-helix	trans	-67.3	-43.7	171.1	168	-95	0	0	0	111.6	I709 F710 L711 C715 K716 L717 L744 I770 F773	I709-F713 PolarHBondContact O-N 3.26Å; F710-F713 HydrophobicContact CD2-CD1 4.36Å; F710-F713 HydrophobicContact CE2-CD1 4.22Å; F710-F713 WeakPolarHBondContact O-CA 3.37Å; F710-F713 WeakPolarHBondContact O-CB 3.12Å; F710-F713 PolarHBondContact O-N 3.14Å; L711-F713 VanDerWaalsContact C-N 3.27Å; L711-F713 PolarHBondContact O-N 3.09Å; F713-C715 VanDerWaalsContact C-N 3.34Å; F713-C715 PolarHBondContact O-N 2.98Å; F713-K716 PolarHBondContact O-N 3.3Å; F713-L717 HydrophobicContact CE1-CD2 4.18Å; F713-L717 HydrophobicContact CZ-CD2 4.32Å; F713-L717 WeakPolarHBondContact O-CB 3.46Å; F713-L717 PolarHBondContact O-N 3.18Å; F713-L744 HydrophobicContact CE2-CD2 4.09Å; F713-I770 HydrophobicContact CB-CD1 4.11Å; F713-I770 HydrophobicContact CB-CG1 4.31Å; F713-I770 HydrophobicContact CD1-CD1 4.47Å; F713-I770 HydrophobicContact CD1-CG1 3.95Å; F713-I770 HydrophobicContact CD1-CG2 4.44Å; F713-I770 HydrophobicContact CD2-CD1 3.67Å; F713-I770 HydrophobicContact CD2-CG1 3.99Å; F713-I770 HydrophobicContact CD2-CG2 4.17Å; F713-I770 HydrophobicContact CE1-CG1 4.32Å; F713-I770 HydrophobicContact CE1-CG2 3.98Å; F713-I770 HydrophobicContact CE2-CD1 4.25Å; F713-I770 HydrophobicContact CE2-CG1 4.35Å; F713-I770 HydrophobicContact CE2-CG2 3.66Å; F713-I770 HydrophobicContact CG-CD1 3.8Å; F713-I770 HydrophobicContact CG-CG1 3.79Å; F713-I770 HydrophobicContact CZ-CG2 3.56Å; F713-F773 AromaticContact CE1-CD1 3.89Å; F713-F773 HydrophobicContact CE1-CD1 3.89Å; F713-F773 HydrophobicContact CE1-CE1 4.24Å
714	L	76.7	Confident	69.5	Low	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60.8	-43	174	-61.2	-176.2	0	0	0	111.5	F689 L692 I693 V696 L705 F710 L711 K716 L717 S718 F773	F689-L714 HydrophobicContact CE2-CB 4.16Å; L692-L714 HydrophobicContact CB-CD2 4.36Å; I693-L714 HydrophobicContact CG1-CD1 4.12Å; V696-L714 HydrophobicContact CG2-CD1 4.22Å; L705-L714 HydrophobicContact CD2-CD1 3.74Å; F710-L714 HydrophobicContact CD1-CD1 4.33Å; F710-L714 HydrophobicContact CD1-CG 4.41Å; F710-L714 HydrophobicContact CE1-CD1 3.81Å; F710-L714 HydrophobicContact CE1-CD2 4.17Å; F710-L714 HydrophobicContact CE1-CG 4.02Å; F710-L714 HydrophobicContact CE2-CD2 4.42Å; F710-L714 HydrophobicContact CZ-CD1 4.36Å; F710-L714 HydrophobicContact CZ-CD2 3.88Å; F710-L714 HydrophobicContact CZ-CG 4.21Å; F710-L714 PolarHBondContact O-N 3.18Å; L711-L714 PolarHBondContact O-N 3.28Å; L711-L714 VanDerWaalsContact O-N 3.13Å; L714-K716 VanDerWaalsContact C-N 3.33Å; L714-K716 PolarHBondContact O-N 2.93Å; L714-L717 WeakPolarHBondContact O-CB 3.46Å; L714-L717 PolarHBondContact O-N 3.41Å; L714-L717 VanDerWaalsContact O-N 3.15Å; L714-S718 PolarHBondContact O-N 3.1Å; L714-S718 PolarHBondContact O-OG 2.78Å; L714-F773 HydrophobicContact CD2-CD1 4.34Å; L714-F773 HydrophobicContact CD2-CE1 3.78Å; L714-F773 HydrophobicContact CD2-CE2 4.29Å; L714-F773 HydrophobicContact CD2-CZ 3.76Å
715	C	79.8	Confident	67.8	Low	5 Å²	5	40.8 Å²	40.8	3%	0.034	21%	0.208	C	C	.	.	H	α-helix	trans	-60.6	-37.9	174.3	-65.1	0	0	0	0	113	W631 F689 L711 F713 S718 N719	W631-C715 HydrophobicContact CB-CB 4.49Å; W631-C715 HydrophobicContact CD2-CB 4.11Å; W631-C715 HydrophobicContact CG-CB 3.79Å; F689-C715 HydrophobicContact CE2-CB 4.38Å; F689-C715 WeakPolarHBondContact CE2-SG 3.34Å; L711-C715 PolarHBondContact O-N 2.94Å; L711-C715 PolarHBondContact O-SG 3.31Å; F713-C715 VanDerWaalsContact C-N 3.34Å; F713-C715 PolarHBondContact O-N 2.98Å; C715-S718 WeakPolarHBondContact CA-OG 3.45Å; C715-S718 PolarHBondContact O-OG 3.07Å; C715-N719 WeakPolarHBondContact O-CB 3.44Å; C715-N719 PolarHBondContact O-N 3.36Å; C715-N719 PolarHBondContact O-OD1 3.32Å
716	K	73.5	Confident	66	Low	123 Å²	123	43.2 Å²	43.2	54%	0.535	22%	0.221	S	C	.	.	H	α-helix	trans	-69.6	-37.7	173.4	-76.4	172.9	-179.3	177.3	0	111.9	N712 F713 L714 N719 H720	N712-K716 WeakPolarHBondContact O-CG 3.39Å; N712-K716 PolarHBondContact O-N 2.93Å; F713-K716 PolarHBondContact O-N 3.3Å; L714-K716 VanDerWaalsContact C-N 3.33Å; L714-K716 PolarHBondContact O-N 2.93Å; K716-N719 PolarHBondContact O-N 2.96Å; K716-H720 PolarHBondContact O-CD2 3Å; K716-H720 PolarHBondContact O-N 3.34Å
717	L	67.6	Low	64.2	Low	5 Å²	5	40.4 Å²	40.4	3%	0.026	21%	0.206	C	C	.	.	H	α-helix	trans	-66.3	-41.9	179.1	-174.3	62.6	0	0	0	111.3	L692 F713 L714 H720 I742 F773	L692-L717 HydrophobicContact CD1-CB 4.19Å; L692-L717 HydrophobicContact CD1-CD2 3.89Å; L692-L717 HydrophobicContact CD1-CG 3.97Å; L692-L717 HydrophobicContact CD2-CD2 3.7Å; L692-L717 HydrophobicContact CG-CD2 4.47Å; F713-L717 HydrophobicContact CE1-CD2 4.18Å; F713-L717 HydrophobicContact CZ-CD2 4.32Å; F713-L717 WeakPolarHBondContact O-CB 3.46Å; F713-L717 PolarHBondContact O-N 3.18Å; L714-L717 WeakPolarHBondContact O-CB 3.46Å; L714-L717 PolarHBondContact O-N 3.41Å; L714-L717 VanDerWaalsContact O-N 3.15Å; L717-H720 PolarHBondContact O-N 3.1Å; L717-I742 HydrophobicContact CB-CD1 4.4Å; L717-I742 HydrophobicContact CD1-CD1 3.58Å; L717-F773 HydrophobicContact CD2-CE1 3.82Å
718	S	68.7	Low	62.2	Low	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-64.3	-40.9	172.8	51.4	0	0	0	0	112.7	Q685 L714 C715 H720 V721	Q685-S718 VanDerWaalsContact CG-O 3.31Å; Q685-S718 WeakPolarHBondContact CG-O 3.36Å; Q685-S718 WeakPolarHBondContact O-CB 3.29Å; L714-S718 PolarHBondContact O-N 3.1Å; L714-S718 PolarHBondContact O-OG 2.78Å; C715-S718 WeakPolarHBondContact CA-OG 3.45Å; C715-S718 PolarHBondContact O-OG 3.07Å; S718-H720 PolarHBondContact O-N 2.74Å; S718-H720 VanDerWaalsContact O-N 3.1Å; S718-V721 WeakPolarHBondContact O-CG2 3.48Å; S718-V721 PolarHBondContact O-N 3.27Å
719	N	69	Low	60.3	Low	62 Å²	62	41.7 Å²	41.7	33%	0.332	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-6.6	178.5	-70.3	13.5	0	0	0	114.5	W631 C715 K716	W631-N719 PolarHBondContact NE1-OD1 2.99Å; C715-N719 WeakPolarHBondContact O-CB 3.44Å; C715-N719 PolarHBondContact O-N 3.36Å; C715-N719 PolarHBondContact O-OD1 3.32Å; K716-N719 PolarHBondContact O-N 2.96Å
720	H	64.9	Low	58.5	Low	75 Å²	75	44 Å²	44	35%	0.347	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.3	17.9	-178.9	-72.8	-50.9	0	0	0	112.9	K716 L717 S718 I742	K716-H720 PolarHBondContact O-CD2 3Å; K716-H720 PolarHBondContact O-N 3.34Å; L717-H720 PolarHBondContact O-N 3.1Å; S718-H720 PolarHBondContact O-N 2.74Å; S718-H720 VanDerWaalsContact O-N 3.1Å; H720-I742 HydrophobicContact CB-CD1 3.87Å; H720-I742 HydrophobicContact CB-CG1 3.79Å
721	V	57.8	Low	56.6	Low	11 Å²	11	50 Å²	50	7%	0.067	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	130.7	169.6	176.2	0	0	0	0	109.5	I684 C688 S718 F796	I684-V721 HydrophobicContact CG2-CG1 3.94Å; C688-V721 HydrophobicContact CB-CG2 3.96Å; S718-V721 WeakPolarHBondContact O-CG2 3.48Å; S718-V721 PolarHBondContact O-N 3.27Å; V721-F796 HydrophobicContact CG2-CD1 4.37Å
722	I	48	Very low	54.8	Low	30 Å²	30	52.4 Å²	52.4	15%	0.154	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	127.9	177.9	-52	170.4	0	0	0	109.1	L724 G739 Q795 F796 T797	I722-L724 PolarHBondContact O-N 2.77Å; I722-G739 WeakPolarHBondContact CD1-O 3.44Å; I722-Q795 HydrophobicContact CD1-CG 4.02Å; I722-F796 PolarHBondContact N-O 2.94Å; I722-T797 HydrophobicContact CB-CG2 4.39Å
723	L	43.4	Very low	52.9	Low	45 Å²	45	52.7 Å²	52.7	24%	0.236	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	112.8	163.3	-88.3	159.2	0	0	0	109.3	I684 E725	I684-L723 HydrophobicContact CD1-CD1 3.91Å; I684-L723 HydrophobicContact CD1-CD2 3.67Å; I684-L723 HydrophobicContact CD1-CG 3.93Å; L723-E725 VanDerWaalsContact C-N 3.28Å
724	L	41.2	Very low	51	Low	8 Å²	8	59.7 Å²	59.7	4%	0.042	31%	0.313	C	S	.	.	S	Bend	trans	-75.2	-21.2	175.5	-96.4	176.5	0	0	0	113.2	I722 N732 W734 T797 I799	I722-L724 PolarHBondContact O-N 2.77Å; L724-N732 PolarHBondContact O-N 2.89Å; L724-W734 HydrophobicContact CD1-CZ2 3.96Å; L724-T797 VanDerWaalsContact CD1-CB 3.41Å; L724-T797 HydrophobicContact CD1-CG2 3.75Å; L724-T797 VanDerWaalsContact CD1-OG1 3.29Å; L724-T797 WeakPolarHBondContact CD1-OG1 3.32Å; L724-T797 HydrophobicContact CD2-CG2 4.42Å; L724-T797 HydrophobicContact CG-CG2 3.67Å; L724-I799 HydrophobicContact CB-CG1 4.3Å; L724-I799 HydrophobicContact CD1-CD1 3.51Å; L724-I799 HydrophobicContact CD1-CG1 3.49Å; L724-I799 VanDerWaalsContact CD1-CG1 3.49Å
725	E	39.7	Very low	49.4	Very low	66 Å²	66	61.3 Å²	61.3	31%	0.308	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	118.4	173.5	-166.2	174.8	-115.6	0	0	107	L723 Q730 P800	L723-E725 VanDerWaalsContact C-N 3.28Å; E725-Q730 WeakPolarHBondContact CA-O 3.5Å; E725-P800 WeakPolarHBondContact OE2-CG 3.32Å
726	N	40.4	Very low	47.5	Very low	51 Å²	51	66.6 Å²	66.6	27%	0.273	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	154.8	166.3	-85.8	68.8	0	0	0	108.6	E677 T728 G729 Q730 N732	E677-N726 PolarHBondContact OE1-ND2 3.2Å; N726-T728 PolarHBondContact O-N 3.26Å; N726-G729 PolarHBondContact O-N 3.13Å; N726-Q730 PolarHBondContact N-O 3.31Å; N726-N732 PolarHBondContact OD1-ND2 2.95Å
727	I	37.4	Very low	46	Very low	49 Å²	49	65.8 Å²	65.8	25%	0.251	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-13.7	-170	-55.4	170.7	0	0	0	112.6	F339 E677 A680 G729	F339-I727 HydrophobicContact CD1-CD1 4.26Å; F339-I727 HydrophobicContact CD1-CG2 4.23Å; F339-I727 HydrophobicContact CE1-CB 4.11Å; F339-I727 HydrophobicContact CE1-CD1 3.52Å; F339-I727 HydrophobicContact CE1-CG1 4.4Å; F339-I727 HydrophobicContact CE1-CG2 3.58Å; F339-I727 HydrophobicContact CE2-CG2 4.08Å; F339-I727 HydrophobicContact CZ-CB 4.03Å; F339-I727 HydrophobicContact CZ-CD1 4.27Å; F339-I727 HydrophobicContact CZ-CG2 3.47Å; F339-I727 VanDerWaalsContact CZ-CG2 3.47Å; E677-I727 HydrophobicContact CB-CD1 3.92Å; E677-I727 HydrophobicContact CG-CD1 3.8Å; E677-I727 HydrophobicContact CG-CG1 4.4Å; A680-I727 HydrophobicContact CB-CD1 3.83Å; I727-G729 PolarHBondContact O-N 3.35Å
728	T	36.1	Very low	44.8	Very low	96 Å²	96	67.3 Å²	67.3	59%	0.589	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	5.2	168.6	56.4	0	0	0	0	115.1	N726 Q730	N726-T728 PolarHBondContact O-N 3.26Å; T728-Q730 VanDerWaalsContact C-N 3.29Å; T728-Q730 PolarHBondContact O-N 3.34Å
729	G	36.3	Very low	43.6	Very low	47 Å²	47	69.8 Å²	69.8	49%	0.485	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.4	18.1	-177.5	0	0	0	0	0	113.9	N726 I727	N726-G729 PolarHBondContact O-N 3.13Å; I727-G729 PolarHBondContact O-N 3.35Å
730	Q	36	Very low	42.5	Very low	138 Å²	138	67.7 Å²	67.7	65%	0.645	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.6	120.8	179.9	-66.5	-168.8	3	0	0	111.2	E725 N726 T728 N732	E725-Q730 WeakPolarHBondContact CA-O 3.5Å; N726-Q730 PolarHBondContact N-O 3.31Å; T728-Q730 VanDerWaalsContact C-N 3.29Å; T728-Q730 PolarHBondContact O-N 3.34Å; Q730-N732 PolarHBondContact O-N 2.92Å
731	L	36.3	Very low	41.5	Very low	125 Å²	125	68.8 Å²	68.8	65%	0.654	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.8	119.3	174.2	-79.6	155.9	0	0	0	111.3	S733	L731-S733 PolarHBondContact O-N 2.89Å
732	N	41.7	Very low	40.9	Very low	55 Å²	55	69.2 Å²	69.2	29%	0.294	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-71.9	126.1	168.8	-77.7	-42.9	0	0	0	110.4	L724 N726 Q730 L738	L724-N732 PolarHBondContact O-N 2.89Å; N726-N732 PolarHBondContact OD1-ND2 2.95Å; Q730-N732 PolarHBondContact O-N 2.92Å; N732-L738 HydrophobicContact CB-CD1 4.49Å
733	S	39.3	Very low	41	Very low	98 Å²	98	70.2 Å²	70.2	69%	0.685	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-74.2	129.3	175.5	60.6	0	0	0	0	111	L731 S735 L738	L731-S733 PolarHBondContact O-N 2.89Å; S733-S735 PolarHBondContact O-N 3.44Å; S733-L738 WeakPolarHBondContact O-CD1 3.08Å
734	W	36.9	Very low	41.3	Very low	164 Å²	164	69.5 Å²	69.5	62%	0.621	40%	0.404	S	S	*	.			trans	-56.1	114	178.9	-76.8	67.6	0	0	0	110.5	L724 T797	L724-W734 HydrophobicContact CD1-CZ2 3.96Å; W734-T797 HydrophobicContact CZ2-CG2 4.38Å
735	S	42.7	Very low	41.5	Very low	35 Å²	35	72.3 Å²	72.3	25%	0.245	42%	0.423	C	S	.	.			trans	-142.2	143.6	-179.9	63.5	0	0	0	0	110	S733 S737 L738	S733-S735 PolarHBondContact O-N 3.44Å; S735-S737 VanDerWaalsContact CB-OG 3.28Å; S735-S737 WeakPolarHBondContact CB-OG 3.47Å; S735-S737 PolarHBondContact O-N 3.3Å; S735-S737 PolarHBondContact OG-OG 3.02Å; S735-L738 WeakPolarHBondContact O-CB 3.41Å; S735-L738 PolarHBondContact O-N 3.34Å
736	P	40.8	Very low	41.5	Very low	115 Å²	115	72.5 Å²	72.5	75%	0.747	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-13	174.8	-24	34.8	0	0	0	114.2
737	S	42.8	Very low	41.5	Very low	106 Å²	106	73.7 Å²	73.7	74%	0.741	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-18.4	171.9	34	0	0	0	0	114.4	S735	S735-S737 VanDerWaalsContact CB-OG 3.28Å; S735-S737 WeakPolarHBondContact CB-OG 3.47Å; S735-S737 PolarHBondContact O-N 3.3Å; S735-S737 PolarHBondContact OG-OG 3.02Å
738	L	41.3	Very low	41.3	Very low	38 Å²	38	77.9 Å²	77.9	20%	0.199	46%	0.463	C	S	.	.	S	Bend	trans	-65.8	132.7	165.2	-74.9	160.4	0	0	0	108.6	N732 S733 S735 W741 Q795	N732-L738 HydrophobicContact CB-CD1 4.49Å; S733-L738 WeakPolarHBondContact O-CD1 3.08Å; S735-L738 WeakPolarHBondContact O-CB 3.41Å; S735-L738 PolarHBondContact O-N 3.34Å; L738-W741 VanDerWaalsContact O-CD1 3.23Å; L738-W741 PolarHBondContact O-NE1 2.91Å; L738-Q795 PolarHBondContact O-NE2 3.28Å
739	G	42.9	Very low	41.2	Very low	51 Å²	51	78.8 Å²	78.8	53%	0.526	47%	0.469	S	S	.	.	S	Bend	trans	-67.6	-161.3	178.4	0	0	0	0	0	113.3	I722 W741 Q795	I722-G739 WeakPolarHBondContact CD1-O 3.44Å; G739-W741 VanDerWaalsContact C-N 3.28Å; G739-W741 PolarHBondContact O-N 3.25Å; G739-Q795 PolarHBondContact O-NE2 2.59Å
740	G	46.7	Very low	40.9	Very low	19 Å²	19	82.4 Å²	82.4	20%	0.196	48%	0.482	C	S	.	.			trans	75.1	4.9	173.6	0	0	0	0	0	116.6	I742	G740-I742 PolarHBondContact O-N 3.42Å; G740-I742 VanDerWaalsContact O-N 3.14Å
741	W	43.1	Very low	41	Very low	98 Å²	98	80.5 Å²	80.5	37%	0.371	49%	0.49	S	S	.	.			trans	-67.5	107	170.6	-69.4	96.6	0	0	0	111.5	L738 G739 S743 K793 F794 Q795	L738-W741 VanDerWaalsContact O-CD1 3.23Å; L738-W741 PolarHBondContact O-NE1 2.91Å; G739-W741 VanDerWaalsContact C-N 3.28Å; G739-W741 PolarHBondContact O-N 3.25Å; W741-S743 PolarHBondContact O-N 3.08Å; W741-K793 HydrophobicContact CB-CB 4.31Å; W741-K793 HydrophobicContact CB-CD 4.21Å; W741-K793 HydrophobicContact CD2-CB 4.29Å; W741-K793 HydrophobicContact CE3-CB 3.56Å; W741-K793 HydrophobicContact CZ3-CB 4.2Å; W741-F794 WeakPolarHBondContact CA-O 3.45Å; W741-Q795 HydrophobicContact CD2-CG 3.92Å; W741-Q795 HydrophobicContact CE3-CG 4.05Å; W741-Q795 HydrophobicContact CG-CG 4.21Å
742	I	46.3	Very low	40.9	Very low	20 Å²	20	80.6 Å²	80.6	10%	0.103	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	119.9	176.6	-48.3	-173.1	0	0	0	109.3	L717 H720 G740 K793 F794	L717-I742 HydrophobicContact CB-CD1 4.4Å; L717-I742 HydrophobicContact CD1-CD1 3.58Å; H720-I742 HydrophobicContact CB-CD1 3.87Å; H720-I742 HydrophobicContact CB-CG1 3.79Å; G740-I742 PolarHBondContact O-N 3.42Å; G740-I742 VanDerWaalsContact O-N 3.14Å; I742-K793 WeakPolarHBondContact O-CA 3.33Å; I742-F794 PolarHBondContact N-O 2.96Å; I742-F794 PolarHBondContact O-N 2.97Å
743	S	49.7	Very low	40.3	Very low	51 Å²	51	82.6 Å²	82.6	36%	0.357	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	124.5	165.6	-175.3	0	0	0	0	110	W741	W741-S743 PolarHBondContact O-N 3.08Å
744	L	48.8	Very low	39.7	Very low	30 Å²	30	83.4 Å²	83.4	16%	0.157	52%	0.521	C	S	.	.	P	Polyproline II helix	trans	-80.5	118.3	170.4	-77.5	154.4	0	0	0	109.8	F713 N746 I770 L774 L786 G792	F713-L744 HydrophobicContact CE2-CD2 4.09Å; L744-N746 PolarHBondContact O-N 2.97Å; L744-I770 HydrophobicContact CD2-CD1 4.45Å; L744-I770 HydrophobicContact CD2-CG2 3.63Å; L744-L774 HydrophobicContact CD1-CD1 4.19Å; L744-L786 HydrophobicContact CD1-CD2 3.18Å; L744-G792 PolarHBondContact N-O 3.24Å
745	P	47.3	Very low	39.3	Very low	67 Å²	67	80.6 Å²	80.6	44%	0.435	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-65.6	128.6	-178.7	26.3	-33.5	0	0	0	111.2	T747	P745-T747 HydrophobicContact CB-CG2 4.33Å; P745-T747 PolarHBondContact O-N 3.3Å
746	N	39.5	Very low	38.5	Very low	69 Å²	69	85.2 Å²	85.2	37%	0.369	55%	0.549	S	S	.	.			trans	-76.8	57.8	169.5	-97.6	-28	0	0	0	111	L744 T748 R767 T789	L744-N746 PolarHBondContact O-N 2.97Å; N746-T748 PolarHBondContact O-N 2.75Å; N746-R767 PolarHBondContact OD1-NH1 3Å; N746-T789 PolarHBondContact ND2-O 2.92Å
747	T	38.7	Very low	38	Very low	76 Å²	76	87.3 Å²	87.3	47%	0.466	55%	0.552	S	S	.	*			trans	-91.1	76	178.4	35.8	0	0	0	0	111.8	P745 T749	P745-T747 HydrophobicContact CB-CG2 4.33Å; P745-T747 PolarHBondContact O-N 3.3Å; T747-T749 PolarHBondContact O-N 3.07Å; T747-T749 PolarHBondContact O-OG1 3.3Å
748	T	34.2	Very low	37.4	Very low	137 Å²	137	86.4 Å²	86.4	84%	0.84	55%	0.551	S	S	*	*			trans	-69.5	72.7	146.8	49.4	0	0	0	0	108.3	N746 T750	N746-T748 PolarHBondContact O-N 2.75Å; T748-T750 PolarHBondContact O-N 3.28Å
749	T	34.3	Very low	36.8	Very low	116 Å²	116	91.9 Å²	91.9	71%	0.712	58%	0.58	S	S	*	*			trans	-67.1	108.8	179.4	-7	0	0	0	0	108.8	T747	T747-T749 PolarHBondContact O-N 3.07Å; T747-T749 PolarHBondContact O-OG1 3.3Å
750	T	30.4	Very low	36.2	Very low	122 Å²	122	93.4 Å²	93.4	75%	0.748	60%	0.596	S	S	*	*			trans	-39.7	139.6	180	41.3	0	0	0	0	114.4	T748 T752	T748-T750 PolarHBondContact O-N 3.28Å; T750-T752 PolarHBondContact O-N 3.22Å
751	A	38.3	Very low	35.7	Very low	99 Å²	99	99.6 Å²	99.6	82%	0.818	63%	0.625	S	S	*	*	S	Bend	trans	-63.2	99.7	-176.1	0	0	0	0	0	114.2
752	T	33	Very low	35.2	Very low	126 Å²	126	103.8 Å²	103.8	77%	0.773	65%	0.651	S	S	*	*			trans	-140.4	-1.4	162.1	39.9	0	0	0	0	115	T750 T754	T750-T752 PolarHBondContact O-N 3.22Å; T752-T754 VanDerWaalsContact C-N 3.3Å; T752-T754 PolarHBondContact O-N 2.88Å
753	A	29.1	Very low	35.2	Very low	97 Å²	97	111.2 Å²	111.2	80%	0.802	68%	0.683	S	S	*	*			trans	-90.5	55.3	172.7	0	0	0	0	0	112.2	T755	A753-T755 PolarHBondContact O-N 3.28Å
754	T	26.5	Very low	35.3	Very low	116 Å²	116	112.5 Å²	112.5	71%	0.712	68%	0.683	S	S	*	*			trans	-74.5	71.2	173.8	48.7	0	0	0	0	111.6	T752 T756	T752-T754 VanDerWaalsContact C-N 3.3Å; T752-T754 PolarHBondContact O-N 2.88Å; T754-T756 VanDerWaalsContact C-N 3.28Å; T754-T756 PolarHBondContact O-N 2.95Å; T754-T756 VanDerWaalsContact O-N 3.13Å
755	T	28.6	Very low	35.9	Very low	105 Å²	105	114.6 Å²	114.6	64%	0.644	70%	0.697	S	S	*	*			trans	-78	86.4	156.1	34.7	0	0	0	0	108.9	A753 I757	A753-T755 PolarHBondContact O-N 3.28Å; T755-I757 PolarHBondContact O-N 3.44Å; T755-I757 VanDerWaalsContact O-N 3.08Å
756	T	26.5	Very low	36.4	Very low	131 Å²	131	114.5 Å²	114.5	80%	0.804	69%	0.691	S	S	*	*			trans	-61.7	102.2	171.2	45.2	0	0	0	0	110.6	T754	T754-T756 VanDerWaalsContact C-N 3.28Å; T754-T756 PolarHBondContact O-N 2.95Å; T754-T756 VanDerWaalsContact O-N 3.13Å
757	I	29.7	Very low	37.4	Very low	160 Å²	160	115.7 Å²	115.7	82%	0.821	69%	0.69	S	S	*	*			trans	-126.2	121.9	158.2	-59.3	-177.6	0	0	0	107	T755 N759	T755-I757 PolarHBondContact O-N 3.44Å; T755-I757 VanDerWaalsContact O-N 3.08Å; I757-N759 PolarHBondContact O-N 3.32Å
758	A	30.1	Very low	38.6	Very low	87 Å²	87	115.7 Å²	115.7	72%	0.719	69%	0.687	S	S	*	*			trans	-73.2	121.2	-179.6	0	0	0	0	0	110.3
759	N	29.6	Very low	40.1	Very low	152 Å²	152	110.2 Å²	110.2	81%	0.813	65%	0.652	S	S	*	*	S	Bend	trans	171.2	103.4	141.5	-88.7	-18.6	0	0	0	110.8	I757 N761	I757-N759 PolarHBondContact O-N 3.32Å; N759-N761 VanDerWaalsContact C-N 3.25Å; N759-N761 PolarHBondContact O-N 3.49Å
760	G	30.9	Very low	41.5	Very low	84 Å²	84	105 Å²	105	87%	0.866	62%	0.62	S	S	*	*	S	Bend	trans	60.9	-33.2	144.7	0	0	0	0	0	122.1
761	N	34.7	Very low	43.2	Very low	148 Å²	148	100.7 Å²	100.7	79%	0.791	59%	0.592	S	S	*	*			trans	-95.4	114.4	-165.6	-68.6	-1.7	0	0	0	110.8	N759 K763	N759-N761 VanDerWaalsContact C-N 3.25Å; N759-N761 PolarHBondContact O-N 3.49Å; N761-K763 PolarHBondContact O-N 3.25Å; N761-K763 VanDerWaalsContact O-N 3.17Å
762	M	33.9	Very low	44.5	Very low	187 Å²	187	98.6 Å²	98.6	92%	0.921	57%	0.565	S	S	*	*			trans	-52.5	117.5	165.3	-72.5	-79.8	-174.6	0	0	109	E764	M762-E764 PolarHBondContact O-N 3.22Å
763	K	45.1	Very low	46	Very low	176 Å²	176	92.8 Å²	92.8	77%	0.765	53%	0.529	S	S	*	.			trans	-71.4	110.4	169.6	-71.3	-177.8	175.4	179.9	0	107.9	N761 T765	N761-K763 PolarHBondContact O-N 3.25Å; N761-K763 VanDerWaalsContact O-N 3.17Å; K763-T765 PolarHBondContact O-N 3.49Å
764	E	52.9	Low	47.5	Very low	78 Å²	78	88.7 Å²	88.7	36%	0.364	49%	0.493	S	S	.	.			trans	-53.9	133.1	170.2	-66.3	-172.5	129.5	0	0	108.8	Y703 M762 D768 M769 K772	Y703-E764 PolarHBondContact OH-OE2 2.92Å; M762-E764 PolarHBondContact O-N 3.22Å; E764-D768 HydrophobicContact CB-CB 4.39Å; E764-M769 HydrophobicContact CB-CG 4.2Å; E764-K772 IonicContact OE1-NZ 2.88Å; E764-K772 PolarHBondContact OE1-NZ 3.04Å; E764-K772 IonicContact OE2-NZ 2.98Å; E764-K772 PolarHBondContact OE2-NZ 3.25Å
765	T	61.3	Low	48.9	Very low	74 Å²	74	88.5 Å²	88.5	45%	0.454	48%	0.483	S	S	.	.			trans	-77.8	163.3	178	70.9	0	0	0	0	111.1	K763 R767 D768 M769	K763-T765 PolarHBondContact O-N 3.49Å; T765-R767 PolarHBondContact O-N 3.48Å; T765-D768 VanDerWaalsContact CB-OD2 3.32Å; T765-D768 WeakPolarHBondContact CB-OD2 3.32Å; T765-D768 WeakPolarHBondContact CG2-OD2 3.29Å; T765-D768 PolarHBondContact N-OD2 3.33Å; T765-D768 WeakPolarHBondContact O-CB 3.36Å; T765-D768 PolarHBondContact O-N 3.41Å; T765-D768 PolarHBondContact OG1-N 2.93Å; T765-D768 PolarHBondContact OG1-OD2 3.23Å; T765-M769 PolarHBondContact O-N 3.49Å
766	E	58.2	Low	50.3	Low	64 Å²	64	85.7 Å²	85.7	30%	0.299	46%	0.463	S	S	.	.	H	α-helix	trans	-50.7	-45.4	172.8	176.6	-177.8	-177.1	0	0	111.7	I709 D768 M769 I770	I709-E766 HydrophobicContact CG2-CB 4.36Å; I709-E766 HydrophobicContact CG2-CG 3.68Å; I709-E766 WeakPolarHBondContact CG2-OE1 3.33Å; E766-D768 VanDerWaalsContact C-N 3.34Å; E766-D768 PolarHBondContact O-N 3.42Å; E766-M769 PolarHBondContact O-N 3.39Å; E766-I770 HydrophobicContact CG-CD1 3.82Å; E766-I770 WeakPolarHBondContact O-CG1 3.39Å; E766-I770 PolarHBondContact O-N 3Å
767	R	58.8	Low	51.5	Low	94 Å²	94	80.9 Å²	80.9	36%	0.355	43%	0.432	S	S	.	.	H	α-helix	trans	-62.8	-39.2	176.7	-173.8	178.4	-177.1	131.4	6	111.8	N746 T765 L771 S788	N746-R767 PolarHBondContact OD1-NH1 3Å; T765-R767 PolarHBondContact O-N 3.48Å; R767-L771 HydrophobicContact CG-CD1 3.78Å; R767-L771 HydrophobicContact CG-CG 4.16Å; R767-L771 WeakPolarHBondContact O-CB 3.33Å; R767-L771 WeakPolarHBondContact O-CG 3.28Å; R767-L771 PolarHBondContact O-N 3.34Å; R767-S788 PolarHBondContact NH2-O 3.31Å
768	D	65.3	Low	52.4	Low	77 Å²	77	75 Å²	75	41%	0.412	40%	0.4	S	S	.	.	H	α-helix	trans	-66.2	-45.9	178.1	-59.4	-47.3	0	0	0	111.2	E764 T765 E766 L771 K772	E764-D768 HydrophobicContact CB-CB 4.39Å; T765-D768 VanDerWaalsContact CB-OD2 3.32Å; T765-D768 WeakPolarHBondContact CB-OD2 3.32Å; T765-D768 WeakPolarHBondContact CG2-OD2 3.29Å; T765-D768 PolarHBondContact N-OD2 3.33Å; T765-D768 WeakPolarHBondContact O-CB 3.36Å; T765-D768 PolarHBondContact O-N 3.41Å; T765-D768 PolarHBondContact OG1-N 2.93Å; T765-D768 PolarHBondContact OG1-OD2 3.23Å; E766-D768 VanDerWaalsContact C-N 3.34Å; E766-D768 PolarHBondContact O-N 3.42Å; D768-L771 PolarHBondContact O-N 3.11Å; D768-K772 WeakPolarHBondContact O-CB 3.19Å; D768-K772 PolarHBondContact O-N 3.26Å
769	M	64.2	Low	53	Low	22 Å²	22	74.7 Å²	74.7	11%	0.108	39%	0.387	C	S	.	.	H	α-helix	trans	-59	-49	176	-77	-169.7	-67.1	0	0	111.8	M704 F710 E764 T765 E766 K772 F773	M704-M769 HydrophobicContact CE-CB 3.74Å; M704-M769 HydrophobicContact CE-CG 4.06Å; M704-M769 VanDerWaalsContact CE-O 3.29Å; M704-M769 WeakPolarHBondContact CE-O 3.33Å; F710-M769 HydrophobicContact CD2-CB 4.25Å; E764-M769 HydrophobicContact CB-CG 4.2Å; T765-M769 PolarHBondContact O-N 3.49Å; E766-M769 PolarHBondContact O-N 3.39Å; M769-K772 PolarHBondContact O-N 2.85Å; M769-F773 WeakPolarHBondContact O-CB 3.24Å; M769-F773 PolarHBondContact O-N 2.96Å
770	I	65.5	Low	53.5	Low	7 Å²	7	76.6 Å²	76.6	4%	0.036	39%	0.388	C	S	.	.	H	α-helix	trans	-66.1	-43.8	178.9	-65.2	168.3	0	0	0	111.1	F710 F713 L744 E766 K772 F773 L774	F710-I770 HydrophobicContact CD2-CG1 4.43Å; F713-I770 HydrophobicContact CB-CD1 4.11Å; F713-I770 HydrophobicContact CB-CG1 4.31Å; F713-I770 HydrophobicContact CD1-CD1 4.47Å; F713-I770 HydrophobicContact CD1-CG1 3.95Å; F713-I770 HydrophobicContact CD1-CG2 4.44Å; F713-I770 HydrophobicContact CD2-CD1 3.67Å; F713-I770 HydrophobicContact CD2-CG1 3.99Å; F713-I770 HydrophobicContact CD2-CG2 4.17Å; F713-I770 HydrophobicContact CE1-CG1 4.32Å; F713-I770 HydrophobicContact CE1-CG2 3.98Å; F713-I770 HydrophobicContact CE2-CD1 4.25Å; F713-I770 HydrophobicContact CE2-CG1 4.35Å; F713-I770 HydrophobicContact CE2-CG2 3.66Å; F713-I770 HydrophobicContact CG-CD1 3.8Å; F713-I770 HydrophobicContact CG-CG1 3.79Å; F713-I770 HydrophobicContact CZ-CG2 3.56Å; L744-I770 HydrophobicContact CD2-CD1 4.45Å; L744-I770 HydrophobicContact CD2-CG2 3.63Å; E766-I770 HydrophobicContact CG-CD1 3.82Å; E766-I770 WeakPolarHBondContact O-CG1 3.39Å; E766-I770 PolarHBondContact O-N 3Å; I770-K772 VanDerWaalsContact C-N 3.3Å; I770-K772 PolarHBondContact O-N 2.92Å; I770-F773 PolarHBondContact O-N 3.01Å; I770-L774 HydrophobicContact CG2-CD1 3.81Å; I770-L774 HydrophobicContact CG2-CG 4.23Å; I770-L774 WeakPolarHBondContact O-CB 3.44Å; I770-L774 WeakPolarHBondContact O-CG 3.49Å; I770-L774 PolarHBondContact O-N 2.88Å
771	L	65.1	Low	53.9	Low	31 Å²	31	75.4 Å²	75.4	16%	0.162	37%	0.366	C	S	.	.	H	α-helix	trans	-65.5	-32.4	176.5	-74.8	176.8	0	0	0	112.5	R767 D768 K775	R767-L771 HydrophobicContact CG-CD1 3.78Å; R767-L771 HydrophobicContact CG-CG 4.16Å; R767-L771 WeakPolarHBondContact O-CB 3.33Å; R767-L771 WeakPolarHBondContact O-CG 3.28Å; R767-L771 PolarHBondContact O-N 3.34Å; D768-L771 PolarHBondContact O-N 3.11Å; L771-K775 WeakPolarHBondContact O-CB 3.27Å; L771-K775 WeakPolarHBondContact O-CD 3.46Å; L771-K775 WeakPolarHBondContact O-CG 3.43Å; L771-K775 PolarHBondContact O-N 2.95Å
772	K	66.1	Low	54.2	Low	54 Å²	54	69.5 Å²	69.5	24%	0.235	34%	0.335	C	S	.	.	H	α-helix	trans	-67.9	-43.4	175.1	-170.1	-179.4	-165.3	175.9	0	110.8	Y701 Y703 M704 E764 D768 M769 I770 K775 M776	Y701-K772 HydrophobicContact CE1-CD 4.42Å; Y701-K772 VanDerWaalsContact CE1-CE 3.47Å; Y703-K772 PolarHBondContact OH-NZ 3.37Å; M704-K772 HydrophobicContact SD-CD 4.36Å; E764-K772 IonicContact OE1-NZ 2.88Å; E764-K772 PolarHBondContact OE1-NZ 3.04Å; E764-K772 IonicContact OE2-NZ 2.98Å; E764-K772 PolarHBondContact OE2-NZ 3.25Å; D768-K772 WeakPolarHBondContact O-CB 3.19Å; D768-K772 PolarHBondContact O-N 3.26Å; M769-K772 PolarHBondContact O-N 2.85Å; I770-K772 VanDerWaalsContact C-N 3.3Å; I770-K772 PolarHBondContact O-N 2.92Å; K772-K775 PolarHBondContact O-N 3.49Å; K772-M776 WeakPolarHBondContact O-CB 3.46Å; K772-M776 PolarHBondContact O-N 3.44Å
773	F	63.2	Low	54.6	Low	4 Å²	4	63.1 Å²	63.1	2%	0.018	31%	0.307	C	S	.	.	H	α-helix	trans	-65.7	-43.7	173.4	-178.4	-104.7	0	0	0	112.9	L692 V696 M704 F710 F713 L714 L717 M769 I770 M776 L777	L692-F773 HydrophobicContact CD2-CE1 4.13Å; L692-F773 HydrophobicContact CD2-CZ 3.7Å; V696-F773 HydrophobicContact CG2-CD2 3.73Å; V696-F773 HydrophobicContact CG2-CE2 3.42Å; V696-F773 VanDerWaalsContact CG2-CE2 3.42Å; V696-F773 HydrophobicContact CG2-CZ 4.4Å; M704-F773 HydrophobicContact CE-CB 4.45Å; F710-F773 HydrophobicContact CE2-CB 3.81Å; F710-F773 HydrophobicContact CE2-CD1 4.48Å; F710-F773 HydrophobicContact CE2-CG 4.03Å; F710-F773 HydrophobicContact CZ-CB 3.98Å; F710-F773 HydrophobicContact CZ-CD1 4.46Å; F710-F773 AromaticContact CZ-CD2 3.87Å; F710-F773 HydrophobicContact CZ-CD2 3.87Å; F710-F773 HydrophobicContact CZ-CE2 4.49Å; F710-F773 AromaticContact CZ-CG 3.84Å; F710-F773 HydrophobicContact CZ-CG 3.84Å; F713-F773 AromaticContact CE1-CD1 3.89Å; F713-F773 HydrophobicContact CE1-CD1 3.89Å; F713-F773 HydrophobicContact CE1-CE1 4.24Å; L714-F773 HydrophobicContact CD2-CD1 4.34Å; L714-F773 HydrophobicContact CD2-CE1 3.78Å; L714-F773 HydrophobicContact CD2-CE2 4.29Å; L714-F773 HydrophobicContact CD2-CZ 3.76Å; L717-F773 HydrophobicContact CD2-CE1 3.82Å; M769-F773 WeakPolarHBondContact O-CB 3.24Å; M769-F773 PolarHBondContact O-N 2.96Å; I770-F773 PolarHBondContact O-N 3.01Å; F773-M776 HydrophobicContact CD2-CE 3.46Å; F773-M776 VanDerWaalsContact CD2-CE 3.46Å; F773-M776 HydrophobicContact CD2-SD 4.42Å; F773-M776 HydrophobicContact CE2-CE 3.42Å; F773-M776 VanDerWaalsContact CE2-CE 3.42Å; F773-M776 HydrophobicContact CZ-CE 4.44Å; F773-M776 WeakPolarHBondContact O-CB 3.31Å; F773-M776 PolarHBondContact O-N 2.9Å; F773-L777 HydrophobicContact CD1-CD1 4.02Å; F773-L777 HydrophobicContact CE1-CD1 3.43Å; F773-L777 VanDerWaalsContact CE1-CD1 3.43Å; F773-L777 HydrophobicContact CE1-CG 4.18Å; F773-L777 HydrophobicContact CZ-CD1 3.75Å; F773-L777 HydrophobicContact CZ-CD2 4.41Å; F773-L777 HydrophobicContact CZ-CG 4.17Å; F773-L777 PolarHBondContact O-N 3.4Å
774	L	60.5	Low	54.6	Low	11 Å²	11	61.2 Å²	61.2	6%	0.058	31%	0.305	C	S	.	.	H	α-helix	trans	-66.7	-37.1	175.2	-69.2	173.7	0	0	0	112	L744 I770 M776 L777 F778	L744-L774 HydrophobicContact CD1-CD1 4.19Å; I770-L774 HydrophobicContact CG2-CD1 3.81Å; I770-L774 HydrophobicContact CG2-CG 4.23Å; I770-L774 WeakPolarHBondContact O-CB 3.44Å; I770-L774 WeakPolarHBondContact O-CG 3.49Å; I770-L774 PolarHBondContact O-N 2.88Å; L774-M776 VanDerWaalsContact C-N 3.29Å; L774-M776 PolarHBondContact O-N 2.87Å; L774-L777 PolarHBondContact O-N 3.3Å; L774-F778 HydrophobicContact CD2-CD2 4.28Å; L774-F778 HydrophobicContact CD2-CE2 4.02Å; L774-F778 WeakPolarHBondContact O-CB 3.39Å; L774-F778 WeakPolarHBondContact O-CD2 3.43Å; L774-F778 PolarHBondContact O-N 3.23Å
775	K	56.6	Low	54.1	Low	113 Å²	113	63.7 Å²	63.7	49%	0.491	32%	0.317	S	S	.	.	H	α-helix	trans	-62.3	-36.2	170.4	-80.7	166.3	-175.3	175.2	0	112.5	L771 K772 D779 I782	L771-K775 WeakPolarHBondContact O-CB 3.27Å; L771-K775 WeakPolarHBondContact O-CD 3.46Å; L771-K775 WeakPolarHBondContact O-CG 3.43Å; L771-K775 PolarHBondContact O-N 2.95Å; K772-K775 PolarHBondContact O-N 3.49Å; K775-D779 PolarHBondContact O-N 3.4Å; K775-I782 HydrophobicContact CD-CD1 4.17Å; K775-I782 HydrophobicContact CG-CD1 3.51Å; K775-I782 HydrophobicContact CG-CG1 4.25Å
776	M	58.5	Low	53.1	Low	45 Å²	45	60.8 Å²	60.8	22%	0.222	30%	0.298	C	S	.	.	H	α-helix	trans	-69.8	-31.8	176	-177.6	-160.2	81.3	0	0	112.3	N695 C699 Y701 K772 F773 L774	N695-M776 HydrophobicContact CB-CE 4.28Å; C699-M776 HydrophobicContact CB-SD 3.63Å; C699-M776 PolarHBondContact SG-SD 3.38Å; Y701-M776 HydrophobicContact CD2-SD 4.2Å; K772-M776 WeakPolarHBondContact O-CB 3.46Å; K772-M776 PolarHBondContact O-N 3.44Å; F773-M776 HydrophobicContact CD2-CE 3.46Å; F773-M776 VanDerWaalsContact CD2-CE 3.46Å; F773-M776 HydrophobicContact CD2-SD 4.42Å; F773-M776 HydrophobicContact CE2-CE 3.42Å; F773-M776 VanDerWaalsContact CE2-CE 3.42Å; F773-M776 HydrophobicContact CZ-CE 4.44Å; F773-M776 WeakPolarHBondContact O-CB 3.31Å; F773-M776 PolarHBondContact O-N 2.9Å; L774-M776 VanDerWaalsContact C-N 3.29Å; L774-M776 PolarHBondContact O-N 2.87Å
777	L	50.9	Low	52.5	Low	31 Å²	31	62.5 Å²	62.5	16%	0.162	31%	0.31	C	S	.	.	H	α-helix	trans	-81.8	-31.3	174.8	-69.8	179.2	0	0	0	113.7	F773 L774	F773-L777 HydrophobicContact CD1-CD1 4.02Å; F773-L777 HydrophobicContact CE1-CD1 3.43Å; F773-L777 VanDerWaalsContact CE1-CD1 3.43Å; F773-L777 HydrophobicContact CE1-CG 4.18Å; F773-L777 HydrophobicContact CZ-CD1 3.75Å; F773-L777 HydrophobicContact CZ-CD2 4.41Å; F773-L777 HydrophobicContact CZ-CG 4.17Å; F773-L777 PolarHBondContact O-N 3.4Å; L774-L777 PolarHBondContact O-N 3.3Å
778	F	49	Very low	51.6	Low	36 Å²	36	60.8 Å²	60.8	16%	0.158	31%	0.312	C	S	.	.	S	Bend	trans	-131.8	49	-166.2	-56.7	-68.9	0	0	0	113.6	L774 K780 S781 F794 F796	L774-F778 HydrophobicContact CD2-CD2 4.28Å; L774-F778 HydrophobicContact CD2-CE2 4.02Å; L774-F778 WeakPolarHBondContact O-CB 3.39Å; L774-F778 WeakPolarHBondContact O-CD2 3.43Å; L774-F778 PolarHBondContact O-N 3.23Å; F778-K780 PolarHBondContact O-N 3.04Å; F778-K780 VanDerWaalsContact O-N 3.1Å; F778-S781 PolarHBondContact O-N 2.99Å; F778-F794 HydrophobicContact CD2-CZ 4.31Å; F778-F794 AromaticContact CE1-CZ 3.96Å; F778-F794 HydrophobicContact CE1-CZ 3.96Å; F778-F794 AromaticContact CE2-CE1 3.91Å; F778-F794 HydrophobicContact CE2-CE1 3.91Å; F778-F794 HydrophobicContact CE2-CE2 4.11Å; F778-F794 AromaticContact CE2-CZ 3.45Å; F778-F794 HydrophobicContact CE2-CZ 3.45Å; F778-F794 VanDerWaalsContact CE2-CZ 3.45Å; F778-F794 AromaticContact CZ-CE1 3.88Å; F778-F794 HydrophobicContact CZ-CE1 3.88Å; F778-F794 HydrophobicContact CZ-CE2 4.14Å; F778-F794 AromaticContact CZ-CZ 3.25Å; F778-F794 HydrophobicContact CZ-CZ 3.25Å; F778-F796 HydrophobicContact CZ-CD2 4.17Å; F778-F796 HydrophobicContact CZ-CE2 4.42Å
779	D	43.4	Very low	50.3	Low	81 Å²	81	63 Å²	63	43%	0.433	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-43.5	118.3	-173.1	-175.1	33.9	0	0	0	113.3	Q245 K775 S781	Q245-D779 HydrophobicContact CG-CB 3.82Å; Q245-D779 VanDerWaalsContact OE1-CB 3.26Å; K775-D779 PolarHBondContact O-N 3.4Å; D779-S781 VanDerWaalsContact C-N 3.25Å; D779-S781 PolarHBondContact O-N 2.87Å; D779-S781 VanDerWaalsContact O-N 3.16Å
780	K	39.5	Very low	48.8	Very low	191 Å²	191	63.4 Å²	63.4	83%	0.83	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.2	-12.1	-179.4	-50.8	-176	-173	173.3	0	118.5	F778	F778-K780 PolarHBondContact O-N 3.04Å; F778-K780 VanDerWaalsContact O-N 3.1Å
781	S	39.5	Very low	47.3	Very low	60 Å²	60	69.2 Å²	69.2	42%	0.42	37%	0.365	S	S	.	.			trans	-110.6	52.2	175.4	67.4	0	0	0	0	112.3	F778 D779 P783	F778-S781 PolarHBondContact O-N 2.99Å; D779-S781 VanDerWaalsContact C-N 3.25Å; D779-S781 PolarHBondContact O-N 2.87Å; D779-S781 VanDerWaalsContact O-N 3.16Å; S781-P783 WeakPolarHBondContact O-CD 3.46Å
782	I	40.9	Very low	46.3	Very low	24 Å²	24	67.9 Å²	67.9	12%	0.123	36%	0.359	C	S	.	.			trans	-62.7	119.8	154.2	-58.9	173.3	0	0	0	106.4	K775 N784 L786	K775-I782 HydrophobicContact CD-CD1 4.17Å; K775-I782 HydrophobicContact CG-CD1 3.51Å; K775-I782 HydrophobicContact CG-CG1 4.25Å; I782-N784 PolarHBondContact O-N 3.35Å; I782-L786 HydrophobicContact CG2-CB 3.4Å; I782-L786 HydrophobicContact CG2-CD1 4.09Å; I782-L786 HydrophobicContact CG2-CG 4.38Å
783	P	41.7	Very low	45.1	Very low	52 Å²	52	70.8 Å²	70.8	34%	0.338	37%	0.371	S	S	.	.			trans	-45.3	131.1	168.4	-28.8	30.6	0	0	0	110.9	S781 E785 L786	S781-P783 WeakPolarHBondContact O-CD 3.46Å; P783-E785 HydrophobicContact CB-CB 4.46Å; P783-E785 PolarHBondContact O-N 2.78Å; P783-L786 HydrophobicContact CB-CD1 4.17Å; P783-L786 HydrophobicContact CG-CD1 3.94Å; P783-L786 WeakPolarHBondContact O-CB 3.26Å; P783-L786 PolarHBondContact O-N 3.26Å
784	N	44.6	Very low	43.9	Very low	137 Å²	137	72 Å²	72	73%	0.733	38%	0.377	S	S	*	.	H	α-helix	trans	-56.1	-24.4	-175.9	-77.8	-36.9	0	0	0	113.1	I782 L786 N787 S788	I782-N784 PolarHBondContact O-N 3.35Å; N784-L786 VanDerWaalsContact C-N 3.28Å; N784-L786 PolarHBondContact O-N 2.85Å; N784-N787 PolarHBondContact O-N 3.37Å; N784-S788 PolarHBondContact O-N 2.99Å
785	E	42.5	Very low	42.7	Very low	130 Å²	130	72.4 Å²	72.4	61%	0.607	38%	0.378	S	S	*	.	H	α-helix	trans	-50.7	-42	169.5	-64.5	164.3	-174.1	0	0	112.8	P783 S788	P783-E785 HydrophobicContact CB-CB 4.46Å; P783-E785 PolarHBondContact O-N 2.78Å; E785-S788 PolarHBondContact O-N 3.1Å; E785-S788 PolarHBondContact O-OG 2.78Å
786	L	40.7	Very low	41.8	Very low	12 Å²	12	69.2 Å²	69.2	6%	0.063	37%	0.365	C	S	.	.	H	α-helix	trans	-79.9	-22.2	179.2	-74.5	156	0	0	0	114.2	L744 I782 P783 N784 S788	L744-L786 HydrophobicContact CD1-CD2 3.18Å; I782-L786 HydrophobicContact CG2-CB 3.4Å; I782-L786 HydrophobicContact CG2-CD1 4.09Å; I782-L786 HydrophobicContact CG2-CG 4.38Å; P783-L786 HydrophobicContact CB-CD1 4.17Å; P783-L786 HydrophobicContact CG-CD1 3.94Å; P783-L786 WeakPolarHBondContact O-CB 3.26Å; P783-L786 PolarHBondContact O-N 3.26Å; N784-L786 VanDerWaalsContact C-N 3.28Å; N784-L786 PolarHBondContact O-N 2.85Å; L786-S788 VanDerWaalsContact C-N 3.29Å
787	N	45.5	Very low	40.7	Very low	101 Å²	101	68.2 Å²	68.2	54%	0.54	36%	0.361	S	S	.	.	H	α-helix	trans	-74.4	-24.9	170.8	-75.6	-33.3	0	0	0	111.5	N784	N784-N787 PolarHBondContact O-N 3.37Å
788	S	41	Very low	39.7	Very low	57 Å²	57	69.8 Å²	69.8	40%	0.399	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	160.1	172.6	85.4	0	0	0	0	111.4	R767 N784 E785 L786 G790	R767-S788 PolarHBondContact NH2-O 3.31Å; N784-S788 PolarHBondContact O-N 2.99Å; E785-S788 PolarHBondContact O-N 3.1Å; E785-S788 PolarHBondContact O-OG 2.78Å; L786-S788 VanDerWaalsContact C-N 3.29Å; S788-G790 PolarHBondContact O-N 3.16Å; S788-G790 PolarHBondContact OG-N 3.25Å
789	T	37.1	Very low	38.7	Very low	124 Å²	124	71.4 Å²	71.4	76%	0.761	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	21.6	173	50.7	0	0	0	0	113.1	N746	N746-T789 PolarHBondContact ND2-O 2.92Å
790	G	33.2	Very low	37.8	Very low	31 Å²	31	70.3 Å²	70.3	32%	0.32	38%	0.382	S	S	.	.	S	Bend	trans	-89.4	166.7	173.6	0	0	0	0	0	113	S788 G792	S788-G790 PolarHBondContact O-N 3.16Å; S788-G790 PolarHBondContact OG-N 3.25Å; G790-G792 PolarHBondContact O-N 3.13Å
791	E	33.5	Very low	37.3	Very low	129 Å²	129	65.4 Å²	65.4	60%	0.603	36%	0.361	S	S	*	.			trans	-67.6	99.2	168.2	-64.1	-175.8	157.6	0	0	109.3	K793	E791-K793 PolarHBondContact O-N 2.85Å
792	G	44.1	Very low	36.6	Very low	2 Å²	2	69.4 Å²	69.4	2%	0.021	38%	0.383	C	S	.	.			trans	-73.8	121.3	169.8	0	0	0	0	0	110	L744 G790	L744-G792 PolarHBondContact N-O 3.24Å; G790-G792 PolarHBondContact O-N 3.13Å
793	K	40.9	Very low	36.3	Very low	115 Å²	115	72.5 Å²	72.5	50%	0.5	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	136.3	170.9	-69.3	-174.2	174.4	-175.6	0	109.9	W741 I742 E791	W741-K793 HydrophobicContact CB-CB 4.31Å; W741-K793 HydrophobicContact CB-CD 4.21Å; W741-K793 HydrophobicContact CD2-CB 4.29Å; W741-K793 HydrophobicContact CE3-CB 3.56Å; W741-K793 HydrophobicContact CZ3-CB 4.2Å; I742-K793 WeakPolarHBondContact O-CA 3.33Å; E791-K793 PolarHBondContact O-N 2.85Å
794	F	39.4	Very low	35.6	Very low	31 Å²	31	76.6 Å²	76.6	14%	0.136	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	152	-176.7	-173.4	-98.9	0	0	0	112.7	W741 I742 F778 F796	W741-F794 WeakPolarHBondContact CA-O 3.45Å; I742-F794 PolarHBondContact N-O 2.96Å; I742-F794 PolarHBondContact O-N 2.97Å; F778-F794 HydrophobicContact CD2-CZ 4.31Å; F778-F794 AromaticContact CE1-CZ 3.96Å; F778-F794 HydrophobicContact CE1-CZ 3.96Å; F778-F794 AromaticContact CE2-CE1 3.91Å; F778-F794 HydrophobicContact CE2-CE1 3.91Å; F778-F794 HydrophobicContact CE2-CE2 4.11Å; F778-F794 AromaticContact CE2-CZ 3.45Å; F778-F794 HydrophobicContact CE2-CZ 3.45Å; F778-F794 VanDerWaalsContact CE2-CZ 3.45Å; F778-F794 AromaticContact CZ-CE1 3.88Å; F778-F794 HydrophobicContact CZ-CE1 3.88Å; F778-F794 HydrophobicContact CZ-CE2 4.14Å; F778-F794 AromaticContact CZ-CZ 3.25Å; F778-F794 HydrophobicContact CZ-CZ 3.25Å; F794-F796 HydrophobicContact CE1-CB 4.24Å
795	Q	35.2	Very low	35.1	Very low	19 Å²	19	73.2 Å²	73.2	9%	0.089	40%	0.398	C	S	.	.			trans	-136.1	145.5	176.8	-82.9	-179.2	-24.8	0	0	110.8	I722 L738 G739 W741	I722-Q795 HydrophobicContact CD1-CG 4.02Å; L738-Q795 PolarHBondContact O-NE2 3.28Å; G739-Q795 PolarHBondContact O-NE2 2.59Å; W741-Q795 HydrophobicContact CD2-CG 3.92Å; W741-Q795 HydrophobicContact CE3-CG 4.05Å; W741-Q795 HydrophobicContact CG-CG 4.21Å
796	F	36.7	Very low	34.8	Very low	46 Å²	46	72.7 Å²	72.7	20%	0.202	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	141	178.3	-171.9	-91.8	0	0	0	111	V721 I722 F778 F794	V721-F796 HydrophobicContact CG2-CD1 4.37Å; I722-F796 PolarHBondContact N-O 2.94Å; F778-F796 HydrophobicContact CZ-CD2 4.17Å; F778-F796 HydrophobicContact CZ-CE2 4.42Å; F794-F796 HydrophobicContact CE1-CB 4.24Å
797	T	34.7	Very low	34.6	Very low	23 Å²	23	79 Å²	79	14%	0.141	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	161.5	-171.4	60.7	0	0	0	0	112.8	I722 L724 W734	I722-T797 HydrophobicContact CB-CG2 4.39Å; L724-T797 VanDerWaalsContact CD1-CB 3.41Å; L724-T797 HydrophobicContact CD1-CG2 3.75Å; L724-T797 VanDerWaalsContact CD1-OG1 3.29Å; L724-T797 WeakPolarHBondContact CD1-OG1 3.32Å; L724-T797 HydrophobicContact CD2-CG2 4.42Å; L724-T797 HydrophobicContact CG-CG2 3.67Å; W734-T797 HydrophobicContact CZ2-CG2 4.38Å
798	S	29.9	Very low	33.9	Very low	64 Å²	64	83.2 Å²	83.2	45%	0.448	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	150.7	171.3	61.1	0	0	0	0	110.9
799	I	28.5	Very low	33.7	Very low	71 Å²	71	86.5 Å²	86.5	36%	0.364	47%	0.467	S	S	.	.			trans	-146.1	145	-164.8	-46.4	174.7	0	0	0	111.5	L724	L724-I799 HydrophobicContact CB-CG1 4.3Å; L724-I799 HydrophobicContact CD1-CD1 3.51Å; L724-I799 HydrophobicContact CD1-CG1 3.49Å; L724-I799 VanDerWaalsContact CD1-CG1 3.49Å
800	P	25.9	Very low	33.9	Very low	58 Å²	58	84.3 Å²	84.3	38%	0.377	45%	0.454	S	S	.	.			trans	-87.6	175.6	168.4	16.9	-1.5	0	0	0	114.3	E725	E725-P800 WeakPolarHBondContact OE2-CG 3.32Å
801	Q	28.7	Very low	34.7	Very low	87 Å²	87	86.8 Å²	86.8	41%	0.407	46%	0.46	S	S	.	.			trans	-125.9	146.7	-140.4	-58	177.4	9.9	0	0	115.4	F305	F305-Q801 HydrophobicContact CE1-CB 4.21Å; F305-Q801 HydrophobicContact CE1-CG 3.88Å; F305-Q801 VanDerWaalsContact CE1-NE2 3.29Å; F305-Q801 HydrophobicContact CZ-CB 4.41Å; F305-Q801 HydrophobicContact CZ-CG 3.82Å; F305-Q801 VanDerWaalsContact CZ-NE2 3.29Å
802	T	24	Very low	35.7	Very low	144 Å²	144	82.4 Å²	82.4	88%	0.883	44%	0.44	S	S	*	.			trans	-127.4	130.3	156	43.7	0	0	0	0	109.7
803	W	34	Very low	36.5	Very low	89 Å²	89	90.3 Å²	90.3	34%	0.337	47%	0.469	S	S	.	.			trans	-96.3	-11.8	-157.6	-80.1	73.5	0	0	0	115.9	L286 I302 F305 F306	L286-W803 HydrophobicContact CD2-CE3 4.35Å; L286-W803 HydrophobicContact CD2-CH2 3.69Å; L286-W803 HydrophobicContact CD2-CZ3 3.39Å; I302-W803 HydrophobicContact CG2-CH2 4.28Å; F305-W803 HydrophobicContact CD1-CZ2 4.15Å; F305-W803 HydrophobicContact CE1-CZ2 4.5Å; F306-W803 HydrophobicContact CD2-CZ2 4.49Å
804	L	28.4	Very low	38	Very low	139 Å²	139	90.3 Å²	90.3	73%	0.728	47%	0.466	S	S	*	.			trans	-133.8	119.2	-168.1	-68.4	171.1	0	0	0	110.5
805	P	33.4	Very low	39.8	Very low	66 Å²	66	88.9 Å²	88.9	43%	0.429	46%	0.46	S	S	.	.			trans	-69.4	143.8	169.6	29.8	-33.1	0	0	0	110	Y231 D807	Y231-P805 VanDerWaalsContact OH-CB 3.29Å; Y231-P805 WeakPolarHBondContact OH-CB 3.47Å; P805-D807 VanDerWaalsContact C-N 3.3Å; P805-D807 PolarHBondContact O-N 3.17Å
806	P	36.9	Very low	41.8	Very low	118 Å²	118	88.8 Å²	88.8	77%	0.766	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-27.2	-171.8	21.8	-32.1	0	0	0	114.7
807	D	35.9	Very low	43.8	Very low	145 Å²	145	88.3 Å²	88.3	78%	0.775	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.4	9.5	-158.4	-66.6	-46.9	0	0	0	117.5	P805	P805-D807 VanDerWaalsContact C-N 3.3Å; P805-D807 PolarHBondContact O-N 3.17Å
808	R	31.3	Very low	45.9	Very low	189 Å²	189	87.2 Å²	87.2	71%	0.713	45%	0.451	S	S	*	.			trans	-142.9	114	162.2	-78.7	-165.8	179.5	145.6	5	112.8	D230 V810	D230-R808 IonicContact OD2-NH1 3.71Å; R808-V810 PolarHBondContact O-N 3.15Å
809	P	35.2	Very low	48.1	Very low	126 Å²	126	85.2 Å²	85.2	82%	0.818	44%	0.435	S	S	*	.			trans	-66.8	127.6	172.5	27.6	-33.2	0	0	0	110.3	D811	P809-D811 PolarHBondContact O-N 2.96Å
810	V	41.9	Very low	50.6	Low	79 Å²	79	81.9 Å²	81.9	48%	0.479	42%	0.418	S	S	.	.			trans	-63.2	118.7	165.5	179.7	0	0	0	0	107.4	L221 R808 L812	L221-V810 HydrophobicContact CD2-CG1 4.44Å; R808-V810 PolarHBondContact O-N 3.15Å; V810-L812 VanDerWaalsContact C-N 3.27Å; V810-L812 HydrophobicContact CB-CD2 4.47Å; V810-L812 HydrophobicContact CB-CG 4.45Å; V810-L812 HydrophobicContact CG1-CD2 3.68Å; V810-L812 HydrophobicContact CG1-CG 4.11Å; V810-L812 PolarHBondContact O-N 2.81Å
811	D	49.4	Very low	52.9	Low	82 Å²	82	81.3 Å²	81.3	44%	0.439	41%	0.411	S	S	.	.			trans	-75.4	82.5	179.4	-164.9	-14	0	0	0	111.1	P809 R813	P809-D811 PolarHBondContact O-N 2.96Å; D811-R813 PolarHBondContact O-N 2.99Å; D811-R813 VanDerWaalsContact O-N 3.16Å; D811-R813 WeakPolarHBondContact OD1-CB 3.21Å; D811-R813 WeakPolarHBondContact OD1-CG 3.47Å; D811-R813 IonicContact OD1-CZ 3.94Å; D811-R813 PolarHBondContact OD1-N 3.04Å; D811-R813 IonicContact OD1-NE 3.84Å; D811-R813 PolarHBondContact OD1-NE 2.75Å; D811-R813 IonicContact OD1-NH2 4Å; D811-R813 IonicContact OD2-CZ 2.74Å; D811-R813 IonicContact OD2-NE 3.2Å; D811-R813 PolarHBondContact OD2-NE 3.41Å; D811-R813 IonicContact OD2-NH2 2.75Å; D811-R813 PolarHBondContact OD2-NH2 3.06Å
812	L	55.4	Low	55.1	Low	37 Å²	37	77.1 Å²	77.1	19%	0.194	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	6.2	176	-58.8	176.1	0	0	0	112.8	Y219 L255 P278 V810 R814	Y219-L812 HydrophobicContact CD1-CD2 4.37Å; Y219-L812 HydrophobicContact CE1-CB 4.45Å; Y219-L812 WeakPolarHBondContact CE1-O 3.22Å; Y219-L812 HydrophobicContact CG-CD2 4.25Å; Y219-L812 PolarHBondContact OH-O 2.73Å; L255-L812 HydrophobicContact CD2-CD1 4.32Å; L255-L812 HydrophobicContact CD2-CD2 3.89Å; P278-L812 HydrophobicContact CB-CB 4.46Å; P278-L812 HydrophobicContact CG-CB 3.5Å; P278-L812 HydrophobicContact CG-CD1 4.3Å; P278-L812 WeakPolarHBondContact CG-O 3.47Å; V810-L812 VanDerWaalsContact C-N 3.27Å; V810-L812 HydrophobicContact CB-CD2 4.47Å; V810-L812 HydrophobicContact CB-CG 4.45Å; V810-L812 HydrophobicContact CG1-CD2 3.68Å; V810-L812 HydrophobicContact CG1-CG 4.11Å; V810-L812 PolarHBondContact O-N 2.81Å; L812-R814 PolarHBondContact O-N 3.18Å
813	R	60.9	Low	57.4	Low	168 Å²	168	72.8 Å²	72.8	63%	0.634	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-9.7	-178.6	-60	173.9	-72.1	-160.1	-3.3	113.7	D811	D811-R813 PolarHBondContact O-N 2.99Å; D811-R813 VanDerWaalsContact O-N 3.16Å; D811-R813 WeakPolarHBondContact OD1-CB 3.21Å; D811-R813 WeakPolarHBondContact OD1-CG 3.47Å; D811-R813 IonicContact OD1-CZ 3.94Å; D811-R813 PolarHBondContact OD1-N 3.04Å; D811-R813 IonicContact OD1-NE 3.84Å; D811-R813 PolarHBondContact OD1-NE 2.75Å; D811-R813 IonicContact OD1-NH2 4Å; D811-R813 IonicContact OD2-CZ 2.74Å; D811-R813 IonicContact OD2-NE 3.2Å; D811-R813 PolarHBondContact OD2-NE 3.41Å; D811-R813 IonicContact OD2-NH2 2.75Å; D811-R813 PolarHBondContact OD2-NH2 3.06Å
814	R	71.9	Confident	59	Low	115 Å²	115	68.6 Å²	68.6	43%	0.434	34%	0.343	S	S	.	.	S	Bend	trans	-132.7	105.6	-179.4	-62	-174.1	-167.2	174	4.6	112.4	L812 Y847	L812-R814 PolarHBondContact O-N 3.18Å; R814-Y847 HydrophobicContact CB-CE1 4.49Å
815	P	77.6	Confident	60.5	Low	1 Å²	1	68.2 Å²	68.2	1%	0.006	34%	0.338	C	S	.	.			trans	-67.3	164.6	175.3	29.5	-34.4	0	0	0	111.9	F217 Y219 W273 E818	F217-P815 HydrophobicContact CB-CB 4.14Å; F217-P815 HydrophobicContact CD1-CB 4.27Å; F217-P815 HydrophobicContact CD1-CG 3.97Å; Y219-P815 HydrophobicContact CD1-CB 4.23Å; Y219-P815 VanDerWaalsContact CE1-CA 3.47Å; Y219-P815 HydrophobicContact CE1-CB 3.83Å; W273-P815 HydrophobicContact CB-CG 4.24Å; W273-P815 HydrophobicContact CG-CG 4.5Å; P815-E818 HydrophobicContact CB-CG 4.33Å; P815-E818 HydrophobicContact CG-CG 3.68Å
816	N	78.3	Confident	61.5	Low	17 Å²	17	66.9 Å²	66.9	9%	0.091	33%	0.327	C	S	.	.	S	Bend	trans	-91.8	-37.7	168.5	-80.4	96.1	0	0	0	111.3	I218 R220 Y846 Y847 K849	I218-N816 WeakPolarHBondContact O-CB 3.22Å; I218-N816 PolarHBondContact O-N 3.35Å; R220-N816 HydrophobicContact CB-CB 4.41Å; R220-N816 WeakPolarHBondContact CB-OD1 3.17Å; R220-N816 PolarHBondContact N-OD1 3.46Å; N816-Y846 VanDerWaalsContact O-CD2 3.32Å; N816-Y846 WeakPolarHBondContact O-CD2 3.35Å; N816-Y847 PolarHBondContact O-N 2.9Å; N816-K849 WeakPolarHBondContact OD1-CE 3.23Å; N816-K849 PolarHBondContact OD1-NZ 3.13Å
817	Y	77.7	Confident	62.1	Low	37 Å²	37	66 Å²	66	15%	0.145	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	146.6	174.3	-53.6	-96.8	0	0	0	110.2	I218 E844 L845 Y846	I218-Y817 HydrophobicContact CB-CD2 4.41Å; I218-Y817 HydrophobicContact CG2-CD2 4.49Å; I218-Y817 PolarHBondContact N-O 2.67Å; I218-Y817 PolarHBondContact O-N 2.7Å; I218-Y817 VanDerWaalsContact O-N 3.15Å; Y817-E844 HydrophobicContact CD1-CG 4.49Å; Y817-E844 VanDerWaalsContact CD1-OE1 3.26Å; Y817-E844 WeakPolarHBondContact CD1-OE1 3.25Å; Y817-L845 WeakPolarHBondContact CA-O 3.39Å; Y817-Y846 AromaticContact CD1-CD2 3.71Å; Y817-Y846 HydrophobicContact CD1-CD2 3.71Å; Y817-Y846 HydrophobicContact CD1-CG 4.41Å; Y817-Y846 AromaticContact CE1-CD2 3.34Å; Y817-Y846 HydrophobicContact CE1-CD2 3.34Å; Y817-Y846 HydrophobicContact CE1-CE2 4.02Å; Y817-Y846 HydrophobicContact CE1-CG 4.12Å; Y817-Y846 HydrophobicContact CE2-CD2 4.41Å; Y817-Y846 HydrophobicContact CE2-CE2 4.5Å; Y817-Y846 HydrophobicContact CG-CD2 4.38Å; Y817-Y846 AromaticContact CZ-CD2 3.74Å; Y817-Y846 AromaticContact CZ-CE2 3.93Å
818	E	79.2	Confident	62.4	Low	0 Å²	0	67.9 Å²	67.9	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	117.8	173.4	-44.1	-178.7	-168.7	0	0	108.1	F217 P815 Y820 E844 L845 Y854	F217-E818 HydrophobicContact CD1-CB 4.23Å; F217-E818 HydrophobicContact CD1-CG 3.99Å; F217-E818 HydrophobicContact CE1-CB 4.34Å; F217-E818 HydrophobicContact CE1-CG 4.2Å; P815-E818 HydrophobicContact CB-CG 4.33Å; P815-E818 HydrophobicContact CG-CG 3.68Å; E818-Y820 HydrophobicContact CB-CD2 4.49Å; E818-Y820 HydrophobicContact CB-CE2 3.58Å; E818-Y820 PolarHBondContact OE2-OH 3.02Å; E818-E844 CarbonylContact O-C 3.6Å; E818-E844 WeakPolarHBondContact O-CA 3.44Å; E818-L845 HydrophobicContact CB-CB 4.3Å; E818-L845 PolarHBondContact N-O 2.86Å; E818-L845 PolarHBondContact O-N 2.97Å; E818-Y854 HydrophobicContact CG-CE1 4.47Å; E818-Y854 WeakPolarHBondContact OE1-CE1 3.28Å; E818-Y854 PolarHBondContact OE1-OH 2.96Å
819	L	76.5	Confident	62.9	Low	22 Å²	22	62 Å²	62	12%	0.115	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	126.1	176.3	178.3	72.2	0	0	0	109	A215 R216 I843 E844	A215-L819 CarbonylContact C-O 3.56Å; A215-L819 WeakPolarHBondContact CA-O 3.39Å; R216-L819 HydrophobicContact CB-CB 4.28Å; R216-L819 PolarHBondContact N-O 2.94Å; R216-L819 PolarHBondContact O-N 3.28Å; L819-I843 CarbonylContact C-O 3.57Å; L819-I843 WeakPolarHBondContact CA-O 3.36Å; L819-E844 HydrophobicContact CD1-CB 4.29Å
820	Y	79.3	Confident	63.1	Low	0 Å²	0	57.3 Å²	57.3	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	139.4	174.8	-58.1	-79.2	0	0	0	110.3	L187 L190 S214 A215 S272 E818 F822 Y842 I843 L845	L187-Y820 HydrophobicContact CD1-CE1 4.29Å; L187-Y820 HydrophobicContact CD2-CD1 3.55Å; L187-Y820 HydrophobicContact CD2-CE1 3.66Å; L187-Y820 HydrophobicContact CD2-CG 4.28Å; L187-Y820 HydrophobicContact CG-CD1 4.41Å; L187-Y820 HydrophobicContact CG-CE1 4.02Å; L190-Y820 HydrophobicContact CD1-CD2 4.07Å; L190-Y820 HydrophobicContact CD1-CE2 4.4Å; S214-Y820 WeakPolarHBondContact O-CA 3.27Å; A215-Y820 HydrophobicContact CB-CD1 3.7Å; A215-Y820 HydrophobicContact CB-CE1 3.64Å; S272-Y820 WeakPolarHBondContact CB-OH 3.27Å; S272-Y820 PolarHBondContact OG-OH 3.43Å; E818-Y820 HydrophobicContact CB-CD2 4.49Å; E818-Y820 HydrophobicContact CB-CE2 3.58Å; E818-Y820 PolarHBondContact OE2-OH 3.02Å; Y820-F822 HydrophobicContact CG-CE2 4.41Å; Y820-Y842 WeakPolarHBondContact O-CA 3.31Å; Y820-I843 PolarHBondContact N-O 3.22Å; Y820-I843 PolarHBondContact O-N 3.11Å; Y820-L845 HydrophobicContact CE2-CD1 4.19Å
821	I	75.2	Confident	62.8	Low	46 Å²	46	63 Å²	63	24%	0.236	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	115.2	172.3	-51.8	176.8	0	0	0	106.7	I213 S214 Y842	I213-I821 WeakPolarHBondContact CA-O 3.48Å; S214-I821 PolarHBondContact N-O 3.39Å; S214-I821 PolarHBondContact O-N 3.01Å; I821-Y842 HydrophobicContact CD1-CD1 4.16Å; I821-Y842 HydrophobicContact CD1-CE1 3.75Å; I821-Y842 HydrophobicContact CG1-CD1 3.81Å; I821-Y842 HydrophobicContact CG1-CE1 3.87Å; I821-Y842 HydrophobicContact CG2-CD1 4.38Å; I821-Y842 HydrophobicContact CG2-CE1 4.06Å
822	F	75.7	Confident	62.2	Low	0 Å²	0	64.6 Å²	64.6	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	120.9	172.2	-67.8	-96.4	0	0	0	108.1	L187 L190 K191 F194 L211 I213 Y820 R840 L841 I843	L187-F822 HydrophobicContact CD2-CZ 3.88Å; L190-F822 HydrophobicContact CB-CE1 4.4Å; L190-F822 HydrophobicContact CB-CE2 3.97Å; L190-F822 HydrophobicContact CB-CZ 3.54Å; L190-F822 HydrophobicContact CD1-CE2 4.45Å; L190-F822 HydrophobicContact CD1-CZ 4.47Å; K191-F822 HydrophobicContact CB-CE1 4.08Å; F194-F822 HydrophobicContact CD1-CB 4.08Å; F194-F822 HydrophobicContact CD2-CB 4.19Å; F194-F822 HydrophobicContact CE1-CB 4.22Å; F194-F822 HydrophobicContact CE2-CB 4.34Å; F194-F822 HydrophobicContact CG-CB 4.05Å; F194-F822 HydrophobicContact CZ-CB 4.34Å; L211-F822 HydrophobicContact CD1-CB 4.28Å; L211-F822 HydrophobicContact CD1-CD1 4.23Å; L211-F822 HydrophobicContact CD2-CD1 4.1Å; L211-F822 HydrophobicContact CG-CD1 4.42Å; I213-F822 HydrophobicContact CD1-CD1 4.03Å; I213-F822 HydrophobicContact CD1-CE1 3.61Å; I213-F822 HydrophobicContact CD1-CZ 4.49Å; I213-F822 HydrophobicContact CG1-CD1 3.82Å; I213-F822 HydrophobicContact CG1-CE1 3.88Å; I213-F822 HydrophobicContact CG2-CE1 4.23Å; I213-F822 HydrophobicContact CG2-CZ 4.36Å; Y820-F822 HydrophobicContact CG-CE2 4.41Å; F822-R840 WeakPolarHBondContact O-CA 3.06Å; F822-L841 HydrophobicContact CB-CB 4.26Å; F822-L841 PolarHBondContact N-O 3.04Å; F822-L841 PolarHBondContact O-N 3.13Å; F822-I843 HydrophobicContact CD2-CD1 3.78Å; F822-I843 HydrophobicContact CD2-CG1 4.16Å; F822-I843 HydrophobicContact CE2-CD1 3.56Å; F822-I843 HydrophobicContact CE2-CG1 4.19Å
823	Y	71.6	Confident	61.4	Low	52 Å²	52	63 Å²	63	20%	0.204	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	134.7	-179.7	178.9	-113.3	0	0	0	110.4	D212 E825 R840	D212-Y823 PolarHBondContact N-O 2.77Å; D212-Y823 PolarHBondContact O-N 3.19Å; Y823-E825 HydrophobicContact CE1-CG 3.62Å; Y823-E825 WeakPolarHBondContact CE1-OE1 3.13Å; Y823-E825 VanDerWaalsContact OH-CG 3.26Å; Y823-E825 WeakPolarHBondContact OH-CG 3.32Å; Y823-E825 PolarHBondContact OH-OE1 3.11Å; Y823-R840 HydrophobicContact CD2-CG 3.67Å; Y823-R840 HydrophobicContact CE2-CG 4.29Å
824	T	66.6	Low	60.2	Low	1 Å²	1	60.1 Å²	60.1	1%	0.006	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	138.6	168.7	-165.5	0	0	0	0	111.9	F194 L198 K210 L826 H839	F194-T824 HydrophobicContact CE1-CG2 3.87Å; F194-T824 HydrophobicContact CZ-CG2 4.04Å; L198-T824 HydrophobicContact CD1-CG2 3.79Å; L198-T824 HydrophobicContact CD2-CG2 4.25Å; K210-T824 WeakPolarHBondContact O-CB 3.25Å; K210-T824 PolarHBondContact O-OG1 2.81Å; T824-L826 HydrophobicContact CG2-CD2 4.43Å; T824-L826 HydrophobicContact CG2-CG 4.43Å; T824-H839 HydrophobicContact CG2-CB 4.29Å; T824-H839 PolarHBondContact N-O 2.84Å; T824-H839 PolarHBondContact O-N 2.86Å
825	E	61.4	Low	58.8	Low	131 Å²	131	58.9 Å²	58.9	61%	0.612	30%	0.295	S	S	*	.			trans	-96.1	105.4	166.1	-69	180	-177.8	0	0	107.5	Y823 P827	Y823-E825 HydrophobicContact CE1-CG 3.62Å; Y823-E825 WeakPolarHBondContact CE1-OE1 3.13Å; Y823-E825 VanDerWaalsContact OH-CG 3.26Å; Y823-E825 WeakPolarHBondContact OH-CG 3.32Å; Y823-E825 PolarHBondContact OH-OE1 3.11Å; E825-P827 WeakPolarHBondContact O-CD 3.46Å
826	L	53.9	Low	57	Low	39 Å²	39	65.1 Å²	65.1	20%	0.204	33%	0.328	C	S	.	.			trans	-71.2	121.7	172.6	-70.4	179.4	0	0	0	108.8	P209 T824 Y828	P209-L826 HydrophobicContact CB-CD2 4.05Å; P209-L826 HydrophobicContact CG-CD2 4.17Å; T824-L826 HydrophobicContact CG2-CD2 4.43Å; T824-L826 HydrophobicContact CG2-CG 4.43Å; L826-Y828 PolarHBondContact O-N 3.24Å
827	P	48.9	Very low	55.5	Low	100 Å²	100	66.1 Å²	66.1	65%	0.649	34%	0.343	S	S	*	.	S	Bend	trans	-68.6	-19.9	177.5	27.3	-34.1	0	0	0	112.6	E825	E825-P827 WeakPolarHBondContact O-CD 3.46Å
828	Y	43.2	Very low	54.1	Low	184 Å²	184	66.9 Å²	66.9	72%	0.722	35%	0.353	S	S	*	.	S	Bend	trans	-143.7	145.9	177.4	-60.7	-76.3	0	0	0	109.3	L826 N830	L826-Y828 PolarHBondContact O-N 3.24Å; Y828-N830 PolarHBondContact O-N 3.29Å
829	P	40.5	Very low	53.3	Low	65 Å²	65	67.8 Å²	67.8	42%	0.422	36%	0.358	S	S	.	.			trans	-61.4	139.1	177.4	26.2	-32.3	0	0	0	110.2	Q831 L836	P829-Q831 PolarHBondContact O-N 3.36Å; P829-L836 HydrophobicContact CB-CD2 3.95Å; P829-L836 HydrophobicContact CB-CG 4.47Å; P829-L836 HydrophobicContact CG-CD2 3.98Å
830	N	39.8	Very low	52.8	Low	28 Å²	28	71.1 Å²	71.1	15%	0.15	37%	0.368	C	S	.	.			trans	-61.9	131.8	172.7	168.2	9.9	0	0	0	108.6	L198 Y828 L832 T833	L198-N830 PolarHBondContact O-ND2 3.47Å; Y828-N830 PolarHBondContact O-N 3.29Å; N830-L832 PolarHBondContact O-N 3.2Å; N830-L832 VanDerWaalsContact O-N 3.11Å; N830-L832 PolarHBondContact OD1-N 3.46Å; N830-T833 HydrophobicContact CB-CG2 4.49Å; N830-T833 WeakPolarHBondContact CB-OG1 3.26Å; N830-T833 CarbonylContact O-C 3.58Å; N830-T833 PolarHBondContact O-N 2.78Å; N830-T833 PolarHBondContact O-OG1 3.2Å
831	Q	35.5	Very low	52.2	Low	198 Å²	198	71.4 Å²	71.4	93%	0.925	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-21.4	-179.9	-67.3	-177.3	-9.7	0	0	113.4	P829	P829-Q831 PolarHBondContact O-N 3.36Å
832	L	36.1	Very low	51.9	Low	116 Å²	116	70 Å²	70	61%	0.607	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-15.3	173.1	-63.1	171.8	0	0	0	113.6	N830 D866	N830-L832 PolarHBondContact O-N 3.2Å; N830-L832 VanDerWaalsContact O-N 3.11Å; N830-L832 PolarHBondContact OD1-N 3.46Å; L832-D866 WeakPolarHBondContact O-CB 3.45Å
833	T	38.7	Very low	51.8	Low	3 Å²	3	70 Å²	70	2%	0.018	36%	0.362	C	S	.	.	S	Bend	trans	-123.1	105.5	-179.7	67.4	0	0	0	0	109.8	N830 R835 S864 D866 T867	N830-T833 HydrophobicContact CB-CG2 4.49Å; N830-T833 WeakPolarHBondContact CB-OG1 3.26Å; N830-T833 CarbonylContact O-C 3.58Å; N830-T833 PolarHBondContact O-N 2.78Å; N830-T833 PolarHBondContact O-OG1 3.2Å; T833-R835 PolarHBondContact O-N 3.16Å; T833-S864 VanDerWaalsContact CB-OG 3.27Å; T833-S864 WeakPolarHBondContact CB-OG 3.02Å; T833-S864 WeakPolarHBondContact CG2-OG 3.49Å; T833-D866 HydrophobicContact CG2-CB 4.41Å; T833-T867 HydrophobicContact CG2-CG2 4.22Å
834	S	37.5	Very low	52	Low	108 Å²	108	68 Å²	68	76%	0.755	35%	0.354	S	S	*	.			trans	-66.7	11.9	-171	59.3	0	0	0	0	116.7
835	R	41.2	Very low	52.6	Low	89 Å²	89	68 Å²	68	34%	0.336	35%	0.354	S	S	.	.	S	Bend	trans	-134.8	140.5	-168.6	-60.7	-174.2	-179	175.3	-2.9	113.1	L167 N168 T833	L167-R835 HydrophobicContact CD2-CB 4.24Å; N168-R835 VanDerWaalsContact CB-NH1 3.29Å; T833-R835 PolarHBondContact O-N 3.16Å
836	L	40	Very low	53.4	Low	131 Å²	131	64.7 Å²	64.7	69%	0.686	34%	0.337	S	S	*	.			trans	-85.9	116.3	178.6	-70.4	160.1	0	0	0	110.5	P829	P829-L836 HydrophobicContact CB-CD2 3.95Å; P829-L836 HydrophobicContact CB-CG 4.47Å; P829-L836 HydrophobicContact CG-CD2 3.98Å
837	G	46	Very low	54.5	Low	39 Å²	39	63.4 Å²	63.4	40%	0.402	33%	0.329	S	S	.	.			trans	-162.9	151.7	171.8	0	0	0	0	0	111.1
838	S	49	Very low	55.7	Low	53 Å²	53	59.2 Å²	59.2	37%	0.371	30%	0.301	S	S	.	.			trans	-78.8	130.4	169.4	51.5	0	0	0	0	109.5
839	H	63.4	Low	56.9	Low	19 Å²	19	55.3 Å²	55.3	9%	0.088	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	131.2	-176.1	-68.3	-73	0	0	0	110.3	F194 L198 T824 S862	F194-H839 HydrophobicContact CE2-CB 4.38Å; F194-H839 HydrophobicContact CZ-CB 4.03Å; L198-H839 HydrophobicContact CD2-CB 3.68Å; L198-H839 VanDerWaalsContact CD2-CD2 3.41Å; L198-H839 WeakPolarHBondContact CD2-CD2 3.43Å; T824-H839 HydrophobicContact CG2-CB 4.29Å; T824-H839 PolarHBondContact N-O 2.84Å; T824-H839 PolarHBondContact O-N 2.86Å; H839-S862 PolarHBondContact ND1-O 3.12Å
840	R	65.1	Low	58.4	Low	91 Å²	91	60.6 Å²	60.6	34%	0.343	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	131.3	175.4	-73.8	178.8	-177.8	178	4.2	110	F822 Y823 Y842 G861 S862	F822-R840 WeakPolarHBondContact O-CA 3.06Å; Y823-R840 HydrophobicContact CD2-CG 3.67Å; Y823-R840 HydrophobicContact CE2-CG 4.29Å; R840-Y842 HydrophobicContact CB-CE2 3.9Å; R840-G861 WeakPolarHBondContact O-CA 3.34Å; R840-S862 PolarHBondContact O-N 3.43Å
841	L	66.6	Low	59.9	Low	7 Å²	7	62.2 Å²	62.2	4%	0.037	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	115.1	168.4	175.5	62.7	0	0	0	108.9	F194 F822 I843 M859 F863	F194-L841 HydrophobicContact CB-CD2 4.16Å; F194-L841 HydrophobicContact CD2-CB 3.48Å; F194-L841 VanDerWaalsContact CD2-CB 3.48Å; F194-L841 HydrophobicContact CD2-CD2 3.69Å; F194-L841 HydrophobicContact CD2-CG 4.23Å; F194-L841 HydrophobicContact CE2-CB 3.57Å; F194-L841 HydrophobicContact CG-CD2 4.36Å; F822-L841 HydrophobicContact CB-CB 4.26Å; F822-L841 PolarHBondContact N-O 3.04Å; F822-L841 PolarHBondContact O-N 3.13Å; L841-I843 HydrophobicContact CD1-CG1 4.24Å; L841-I843 HydrophobicContact CD2-CD1 3.66Å; L841-I843 HydrophobicContact CD2-CG1 4.07Å; L841-I843 HydrophobicContact CG-CD1 3.88Å; L841-I843 HydrophobicContact CG-CG1 3.71Å; L841-M859 HydrophobicContact CD1-CB 4.41Å; L841-F863 HydrophobicContact CB-CZ 4.11Å; L841-F863 HydrophobicContact CD1-CE2 4.21Å; L841-F863 HydrophobicContact CD1-CZ 4.17Å; L841-F863 HydrophobicContact CG-CZ 4.48Å
842	Y	69.5	Low	61.7	Low	17 Å²	17	55.9 Å²	55.9	7%	0.067	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	131.8	170.4	-63.2	-98	0	0	0	108.4	W78 Y820 I821 R840 M859 A860	W78-Y842 HydrophobicContact CB-CE1 4.23Å; W78-Y842 HydrophobicContact CB-CE2 4.15Å; W78-Y842 AromaticContact CD2-CD1 3.99Å; W78-Y842 HydrophobicContact CD2-CD1 3.99Å; W78-Y842 HydrophobicContact CD2-CE1 4.27Å; W78-Y842 HydrophobicContact CD2-CG 4.18Å; W78-Y842 HydrophobicContact CE3-CD1 4.36Å; W78-Y842 HydrophobicContact CE3-CD2 4.37Å; W78-Y842 HydrophobicContact CE3-CG 4.08Å; W78-Y842 HydrophobicContact CG-CD1 4.19Å; W78-Y842 AromaticContact CG-CE1 3.96Å; W78-Y842 HydrophobicContact CG-CE1 3.96Å; W78-Y842 HydrophobicContact CZ3-CG 4.45Å; W78-Y842 PolarHBondContact O-OH 3.32Å; Y820-Y842 WeakPolarHBondContact O-CA 3.31Å; I821-Y842 HydrophobicContact CD1-CD1 4.16Å; I821-Y842 HydrophobicContact CD1-CE1 3.75Å; I821-Y842 HydrophobicContact CG1-CD1 3.81Å; I821-Y842 HydrophobicContact CG1-CE1 3.87Å; I821-Y842 HydrophobicContact CG2-CD1 4.38Å; I821-Y842 HydrophobicContact CG2-CE1 4.06Å; R840-Y842 HydrophobicContact CB-CE2 3.9Å; Y842-M859 WeakPolarHBondContact O-CA 3.43Å; Y842-A860 PolarHBondContact N-O 2.95Å; Y842-A860 PolarHBondContact O-N 2.74Å
843	I	73.5	Confident	63.6	Low	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	124.4	-178.9	-47.8	-171.7	0	0	0	108.4	L190 L819 Y820 F822 L841 L857 L858 M859	L190-I843 HydrophobicContact CB-CD1 4.18Å; L190-I843 HydrophobicContact CD1-CD1 4.29Å; L190-I843 HydrophobicContact CD1-CG2 4.33Å; L190-I843 HydrophobicContact CD2-CD1 3.79Å; L190-I843 HydrophobicContact CD2-CG2 4.2Å; L190-I843 HydrophobicContact CG-CD1 4.31Å; L819-I843 CarbonylContact C-O 3.57Å; L819-I843 WeakPolarHBondContact CA-O 3.36Å; Y820-I843 PolarHBondContact N-O 3.22Å; Y820-I843 PolarHBondContact O-N 3.11Å; F822-I843 HydrophobicContact CD2-CD1 3.78Å; F822-I843 HydrophobicContact CD2-CG1 4.16Å; F822-I843 HydrophobicContact CE2-CD1 3.56Å; F822-I843 HydrophobicContact CE2-CG1 4.19Å; L841-I843 HydrophobicContact CD1-CG1 4.24Å; L841-I843 HydrophobicContact CD2-CD1 3.66Å; L841-I843 HydrophobicContact CD2-CG1 4.07Å; L841-I843 HydrophobicContact CG-CD1 3.88Å; L841-I843 HydrophobicContact CG-CG1 3.71Å; I843-L857 HydrophobicContact CG2-CD1 3.48Å; I843-L857 VanDerWaalsContact CG2-CD1 3.48Å; I843-L858 CarbonylContact C-O 3.59Å; I843-L858 WeakPolarHBondContact CA-O 3.49Å; I843-M859 HydrophobicContact CG2-CG 4.22Å
844	E	75.7	Confident	65.5	Low	9 Å²	9	54.9 Å²	54.9	4%	0.042	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	128.4	171.9	177.5	-177.6	142.6	0	0	110.5	P66 Y817 E818 L819 L858	P66-E844 VanDerWaalsContact CB-OE2 3.23Å; P66-E844 WeakPolarHBondContact CB-OE2 3.16Å; P66-E844 WeakPolarHBondContact CG-OE2 3.4Å; Y817-E844 HydrophobicContact CD1-CG 4.49Å; Y817-E844 VanDerWaalsContact CD1-OE1 3.26Å; Y817-E844 WeakPolarHBondContact CD1-OE1 3.25Å; E818-E844 CarbonylContact O-C 3.6Å; E818-E844 WeakPolarHBondContact O-CA 3.44Å; L819-E844 HydrophobicContact CD1-CB 4.29Å; E844-L858 HydrophobicContact CB-CB 4.13Å; E844-L858 PolarHBondContact N-O 2.79Å; E844-L858 PolarHBondContact O-N 3.47Å
845	L	78.3	Confident	67.2	Low	0 Å²	0	54 Å²	54	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	124	172.4	-71.3	175.3	0	0	0	109.8	Y817 E818 Y820 Y854 L857	Y817-L845 WeakPolarHBondContact CA-O 3.39Å; E818-L845 HydrophobicContact CB-CB 4.3Å; E818-L845 PolarHBondContact N-O 2.86Å; E818-L845 PolarHBondContact O-N 2.97Å; Y820-L845 HydrophobicContact CE2-CD1 4.19Å; L845-Y854 HydrophobicContact CB-CD1 3.73Å; L845-Y854 HydrophobicContact CB-CE1 3.87Å; L845-Y854 HydrophobicContact CD1-CD1 4.3Å; L845-Y854 HydrophobicContact CD1-CE1 4.08Å; L845-Y854 HydrophobicContact CD2-CD1 4.42Å; L845-Y854 HydrophobicContact CG-CD1 4.39Å; L845-L857 HydrophobicContact CD2-CB 4.14Å; L845-L857 HydrophobicContact CD2-CD1 3.73Å; L845-L857 HydrophobicContact CD2-CG 4.45Å
846	Y	79.6	Confident	68.7	Low	62 Å²	62	51.3 Å²	51.3	24%	0.243	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	118	170.2	175	-116.5	0	0	0	110.7	N816 Y817 D848 Y854 K855 N856	N816-Y846 VanDerWaalsContact O-CD2 3.32Å; N816-Y846 WeakPolarHBondContact O-CD2 3.35Å; Y817-Y846 AromaticContact CD1-CD2 3.71Å; Y817-Y846 HydrophobicContact CD1-CD2 3.71Å; Y817-Y846 HydrophobicContact CD1-CG 4.41Å; Y817-Y846 AromaticContact CE1-CD2 3.34Å; Y817-Y846 HydrophobicContact CE1-CD2 3.34Å; Y817-Y846 HydrophobicContact CE1-CE2 4.02Å; Y817-Y846 HydrophobicContact CE1-CG 4.12Å; Y817-Y846 HydrophobicContact CE2-CD2 4.41Å; Y817-Y846 HydrophobicContact CE2-CE2 4.5Å; Y817-Y846 HydrophobicContact CG-CD2 4.38Å; Y817-Y846 AromaticContact CZ-CD2 3.74Å; Y817-Y846 AromaticContact CZ-CE2 3.93Å; Y846-D848 HydrophobicContact CE1-CB 4.39Å; Y846-Y854 WeakPolarHBondContact O-CA 3.19Å; Y846-K855 HydrophobicContact CD1-CB 3.99Å; Y846-K855 HydrophobicContact CE1-CB 4.39Å; Y846-K855 PolarHBondContact O-N 2.87Å; Y846-N856 PolarHBondContact N-O 3.05Å
847	Y	76.1	Confident	70.3	Confident	13 Å²	13	45.2 Å²	45.2	5%	0.051	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	118.5	178.1	-174.9	-97.5	0	0	0	111	R814 N816 K849 S852 Y854	R814-Y847 HydrophobicContact CB-CE1 4.49Å; N816-Y847 PolarHBondContact O-N 2.9Å; Y847-K849 HydrophobicContact CD1-CG 4.48Å; Y847-S852 WeakPolarHBondContact CE2-O 3.41Å; Y847-S852 VanDerWaalsContact OH-C 3.26Å; Y847-S852 VanDerWaalsContact OH-CA 3.23Å; Y847-S852 WeakPolarHBondContact OH-CA 3.47Å; Y847-S852 WeakPolarHBondContact OH-CB 3.29Å; Y847-S852 PolarHBondContact OH-O 2.87Å; Y847-Y854 AromaticContact CD2-CD1 3.97Å; Y847-Y854 HydrophobicContact CD2-CD1 3.97Å; Y847-Y854 HydrophobicContact CD2-CD2 4.49Å; Y847-Y854 AromaticContact CD2-CE1 3.82Å; Y847-Y854 HydrophobicContact CD2-CE1 3.82Å; Y847-Y854 HydrophobicContact CD2-CE2 4.33Å; Y847-Y854 HydrophobicContact CD2-CG 4.31Å; Y847-Y854 AromaticContact CD2-CZ 3.99Å; Y847-Y854 HydrophobicContact CG-CD1 4.49Å; Y847-Y854 HydrophobicContact CG-CE1 4.31Å
848	D	75	Confident	71.2	Confident	12 Å²	12	43.9 Å²	43.9	6%	0.064	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	118.5	175.4	175.3	26.6	0	0	0	111.4	Y846 Q850 S851 S852 N853 K855	Y846-D848 HydrophobicContact CE1-CB 4.39Å; D848-Q850 PolarHBondContact O-N 3.04Å; D848-Q850 WeakPolarHBondContact OD1-CB 3.48Å; D848-Q850 PolarHBondContact OD1-N 2.84Å; D848-S851 WeakPolarHBondContact CB-OG 3.24Å; D848-S851 PolarHBondContact OD2-N 3.26Å; D848-S851 VanDerWaalsContact OD2-N 3.14Å; D848-S851 PolarHBondContact OD2-OG 3.49Å; D848-S851 VanDerWaalsContact OD2-OG 3.11Å; D848-S852 VanDerWaalsContact O-CA 3.29Å; D848-S852 WeakPolarHBondContact O-CA 3.49Å; D848-S852 PolarHBondContact O-N 3.17Å; D848-N853 PolarHBondContact N-O 3.12Å; D848-K855 HydrophobicContact CB-CD 3.74Å; D848-K855 HydrophobicContact CB-CG 3.94Å; D848-K855 WeakPolarHBondContact OD2-CE 3.45Å; D848-K855 IonicContact OD2-NZ 3.95Å; D848-K855 PolarHBondContact OD2-NZ 3.3Å
849	K	68.7	Low	72.1	Confident	102 Å²	102	42 Å²	42	44%	0.443	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-23.4	177.5	-66.3	-178.6	174.1	176.2	0	112.8	N816 Y847	N816-K849 WeakPolarHBondContact OD1-CE 3.23Å; N816-K849 PolarHBondContact OD1-NZ 3.13Å; Y847-K849 HydrophobicContact CD1-CG 4.48Å
850	Q	70.1	Confident	72.1	Confident	175 Å²	175	41.5 Å²	41.5	82%	0.818	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-53.3	179.2	-64.5	-176.3	-11.3	0	0	112.2	D848 S852	D848-Q850 PolarHBondContact O-N 3.04Å; D848-Q850 WeakPolarHBondContact OD1-CB 3.48Å; D848-Q850 PolarHBondContact OD1-N 2.84Å; Q850-S852 VanDerWaalsContact C-N 3.26Å; Q850-S852 PolarHBondContact O-N 3.25Å
851	S	73.3	Confident	71.8	Confident	63 Å²	63	37.2 Å²	37.2	44%	0.441	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-13	176	65.1	0	0	0	0	113.7	D848 N853	D848-S851 WeakPolarHBondContact CB-OG 3.24Å; D848-S851 PolarHBondContact OD2-N 3.26Å; D848-S851 VanDerWaalsContact OD2-N 3.14Å; D848-S851 PolarHBondContact OD2-OG 3.49Å; D848-S851 VanDerWaalsContact OD2-OG 3.11Å; S851-N853 PolarHBondContact O-N 3.25Å; S851-N853 PolarHBondContact OG-N 3.16Å
852	S	72.1	Confident	71.4	Confident	64 Å²	64	37.7 Å²	37.7	45%	0.448	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	27.8	-170.2	-65.3	0	0	0	0	113.9	Y847 D848 Q850	Y847-S852 WeakPolarHBondContact CE2-O 3.41Å; Y847-S852 VanDerWaalsContact OH-C 3.26Å; Y847-S852 VanDerWaalsContact OH-CA 3.23Å; Y847-S852 WeakPolarHBondContact OH-CA 3.47Å; Y847-S852 WeakPolarHBondContact OH-CB 3.29Å; Y847-S852 PolarHBondContact OH-O 2.87Å; D848-S852 VanDerWaalsContact O-CA 3.29Å; D848-S852 WeakPolarHBondContact O-CA 3.49Å; D848-S852 PolarHBondContact O-N 3.17Å; Q850-S852 VanDerWaalsContact C-N 3.26Å; Q850-S852 PolarHBondContact O-N 3.25Å
853	N	76.8	Confident	70.6	Confident	88 Å²	88	38.1 Å²	38.1	47%	0.471	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	162.4	-178.6	-161.2	9.1	0	0	0	110.9	D848 S851	D848-N853 PolarHBondContact N-O 3.12Å; S851-N853 PolarHBondContact O-N 3.25Å; S851-N853 PolarHBondContact OG-N 3.16Å
854	Y	78.1	Confident	69.3	Low	10 Å²	10	39 Å²	39	4%	0.039	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	135.3	171	-60.5	-79.2	0	0	0	109.8	T185 W273 E818 L845 Y846 Y847	T185-Y854 HydrophobicContact CG2-CD2 3.72Å; T185-Y854 HydrophobicContact CG2-CE2 4.22Å; W273-Y854 PolarHBondContact NE1-OH 3.24Å; E818-Y854 HydrophobicContact CG-CE1 4.47Å; E818-Y854 WeakPolarHBondContact OE1-CE1 3.28Å; E818-Y854 PolarHBondContact OE1-OH 2.96Å; L845-Y854 HydrophobicContact CB-CD1 3.73Å; L845-Y854 HydrophobicContact CB-CE1 3.87Å; L845-Y854 HydrophobicContact CD1-CD1 4.3Å; L845-Y854 HydrophobicContact CD1-CE1 4.08Å; L845-Y854 HydrophobicContact CD2-CD1 4.42Å; L845-Y854 HydrophobicContact CG-CD1 4.39Å; Y846-Y854 WeakPolarHBondContact O-CA 3.19Å; Y847-Y854 AromaticContact CD2-CD1 3.97Å; Y847-Y854 HydrophobicContact CD2-CD1 3.97Å; Y847-Y854 HydrophobicContact CD2-CD2 4.49Å; Y847-Y854 AromaticContact CD2-CE1 3.82Å; Y847-Y854 HydrophobicContact CD2-CE1 3.82Å; Y847-Y854 HydrophobicContact CD2-CE2 4.33Å; Y847-Y854 HydrophobicContact CD2-CG 4.31Å; Y847-Y854 AromaticContact CD2-CZ 3.99Å; Y847-Y854 HydrophobicContact CG-CD1 4.49Å; Y847-Y854 HydrophobicContact CG-CE1 4.31Å
855	K	73.6	Confident	67.6	Low	89 Å²	89	46 Å²	46	39%	0.387	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	-38.5	-179.7	-91.8	-172.5	174.5	158.9	0	113.7	G178 Y846 D848	G178-K855 PolarHBondContact N-O 3.21Å; Y846-K855 HydrophobicContact CD1-CB 3.99Å; Y846-K855 HydrophobicContact CE1-CB 4.39Å; Y846-K855 PolarHBondContact O-N 2.87Å; D848-K855 HydrophobicContact CB-CD 3.74Å; D848-K855 HydrophobicContact CB-CG 3.94Å; D848-K855 WeakPolarHBondContact OD2-CE 3.45Å; D848-K855 IonicContact OD2-NZ 3.95Å; D848-K855 PolarHBondContact OD2-NZ 3.3Å
856	N	71.9	Confident	65.9	Low	34 Å²	34	50.2 Å²	50.2	18%	0.182	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	136.1	-178.2	-52.4	-26.7	0	0	0	110	R175 I176 I180 Y846	R175-N856 PolarHBondContact NH2-ND2 2.99Å; I176-N856 WeakPolarHBondContact O-CA 3.36Å; I180-N856 VanDerWaalsContact CD1-C 3.48Å; Y846-N856 PolarHBondContact N-O 3.05Å
857	L	73.6	Confident	64	Low	2 Å²	2	48.9 Å²	48.9	1%	0.01	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	120.4	167.7	165.5	61.7	0	0	0	107.7	I176 I180 C184 I843 L845 M859	I176-L857 HydrophobicContact CB-CB 4.38Å; I176-L857 HydrophobicContact CD1-CD2 4.24Å; I176-L857 PolarHBondContact N-O 3.17Å; I176-L857 PolarHBondContact O-N 3.37Å; I180-L857 HydrophobicContact CD1-CB 3.86Å; I180-L857 HydrophobicContact CG1-CB 3.99Å; I180-L857 HydrophobicContact CG2-CB 4.43Å; I180-L857 HydrophobicContact CG2-CD2 4.24Å; C184-L857 HydrophobicContact CB-CD2 3.76Å; I843-L857 HydrophobicContact CG2-CD1 3.48Å; I843-L857 VanDerWaalsContact CG2-CD1 3.48Å; L845-L857 HydrophobicContact CD2-CB 4.14Å; L845-L857 HydrophobicContact CD2-CD1 3.73Å; L845-L857 HydrophobicContact CD2-CG 4.45Å; L857-M859 HydrophobicContact CD1-CG 3.82Å; L857-M859 HydrophobicContact CD1-SD 4.33Å; L857-M859 HydrophobicContact CD2-CE 4.06Å; L857-M859 HydrophobicContact CD2-SD 4.2Å; L857-M859 HydrophobicContact CG-CE 4.27Å; L857-M859 HydrophobicContact CG-CG 4.14Å; L857-M859 HydrophobicContact CG-SD 4.36Å
858	L	66.3	Low	61.7	Low	12 Å²	12	55.8 Å²	55.8	6%	0.063	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	130.1	173.9	-79.2	156.6	0	0	0	108.2	F68 C174 R175 I843 E844	F68-L858 HydrophobicContact CD2-CD1 3.87Å; F68-L858 HydrophobicContact CD2-CD2 3.68Å; F68-L858 HydrophobicContact CD2-CG 4.36Å; F68-L858 HydrophobicContact CE2-CD1 4.18Å; F68-L858 HydrophobicContact CE2-CD2 4.11Å; F68-L858 HydrophobicContact CG-CD2 4.38Å; C174-L858 WeakPolarHBondContact O-CA 3.49Å; R175-L858 HydrophobicContact CB-CD2 3.62Å; R175-L858 HydrophobicContact CG-CD2 3.7Å; R175-L858 HydrophobicContact CG-CG 4.16Å; I843-L858 CarbonylContact C-O 3.59Å; I843-L858 WeakPolarHBondContact CA-O 3.49Å; E844-L858 HydrophobicContact CB-CB 4.13Å; E844-L858 PolarHBondContact N-O 2.79Å; E844-L858 PolarHBondContact O-N 3.47Å
859	M	66.2	Low	59.6	Low	13 Å²	13	63.6 Å²	63.6	6%	0.064	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	133.6	177	-69.1	178.6	-67.2	0	0	109.3	S173 C174 I176 L841 Y842 I843 L857 F870	S173-M859 CarbonylContact C-O 3.59Å; S173-M859 VanDerWaalsContact CA-O 3.31Å; S173-M859 WeakPolarHBondContact CA-O 3.5Å; C174-M859 PolarHBondContact N-O 3.2Å; C174-M859 PolarHBondContact O-N 3.25Å; I176-M859 HydrophobicContact CD1-CE 3.91Å; L841-M859 HydrophobicContact CD1-CB 4.41Å; Y842-M859 WeakPolarHBondContact O-CA 3.43Å; I843-M859 HydrophobicContact CG2-CG 4.22Å; L857-M859 HydrophobicContact CD1-CG 3.82Å; L857-M859 HydrophobicContact CD1-SD 4.33Å; L857-M859 HydrophobicContact CD2-CE 4.06Å; L857-M859 HydrophobicContact CD2-SD 4.2Å; L857-M859 HydrophobicContact CG-CE 4.27Å; L857-M859 HydrophobicContact CG-CG 4.14Å; L857-M859 HydrophobicContact CG-SD 4.36Å; M859-F870 HydrophobicContact CE-CD1 4.11Å; M859-F870 HydrophobicContact CE-CE1 3.41Å; M859-F870 VanDerWaalsContact CE-CE1 3.41Å; M859-F870 HydrophobicContact CE-CE2 4.39Å; M859-F870 HydrophobicContact CE-CZ 3.57Å; M859-F870 HydrophobicContact SD-CE1 4.47Å; M859-F870 HydrophobicContact SD-CZ 4.04Å
860	A	63.7	Low	57.9	Low	8 Å²	8	65 Å²	65	7%	0.066	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	130.5	172.6	0	0	0	0	0	110.1	W78 T172 Y842	W78-A860 HydrophobicContact CE3-CB 4.18Å; W78-A860 HydrophobicContact CZ3-CB 3.71Å; T172-A860 WeakPolarHBondContact O-CA 3.42Å; Y842-A860 PolarHBondContact N-O 2.95Å; Y842-A860 PolarHBondContact O-N 2.74Å
861	G	60.1	Low	57.3	Low	2 Å²	2	59.5 Å²	59.5	2%	0.021	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	161	-179.8	0	0	0	0	0	113.2	F171 T172 R840	F171-G861 WeakPolarHBondContact CA-O 3.45Å; T172-G861 PolarHBondContact N-O 3.37Å; T172-G861 PolarHBondContact O-N 3.28Å; R840-G861 WeakPolarHBondContact O-CA 3.34Å
862	S	57.2	Low	56.5	Low	16 Å²	16	59.3 Å²	59.3	11%	0.112	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	107.4	176.7	55.6	0	0	0	0	110.3	H839 R840	H839-S862 PolarHBondContact ND1-O 3.12Å; R840-S862 PolarHBondContact O-N 3.43Å
863	F	52.8	Low	55.6	Low	26 Å²	26	59 Å²	59	11%	0.114	29%	0.286	C	S	.	.			trans	-135.9	141.5	-178.5	-53.3	-82.1	0	0	0	109.6	D170 F194 K197 L841 T867	D170-F863 PolarHBondContact O-N 2.76Å; F194-F863 HydrophobicContact CD2-CE1 4.36Å; F194-F863 HydrophobicContact CD2-CZ 4.37Å; F194-F863 HydrophobicContact CE2-CE1 4.1Å; F194-F863 HydrophobicContact CE2-CZ 4.31Å; K197-F863 HydrophobicContact CB-CE1 4.48Å; L841-F863 HydrophobicContact CB-CZ 4.11Å; L841-F863 HydrophobicContact CD1-CE2 4.21Å; L841-F863 HydrophobicContact CD1-CZ 4.17Å; L841-F863 HydrophobicContact CG-CZ 4.48Å; F863-T867 WeakPolarHBondContact CB-OG1 3.46Å
864	S	47.3	Very low	54.3	Low	18 Å²	18	57.3 Å²	57.3	13%	0.126	28%	0.275	C	S	.	.			trans	-73.6	143.8	174.3	51.5	0	0	0	0	111.3	T833 D866 T867	T833-S864 VanDerWaalsContact CB-OG 3.27Å; T833-S864 WeakPolarHBondContact CB-OG 3.02Å; T833-S864 WeakPolarHBondContact CG2-OG 3.49Å; S864-D866 PolarHBondContact O-N 3.13Å; S864-T867 PolarHBondContact O-N 3.06Å; S864-T867 PolarHBondContact O-OG1 2.83Å; S864-T867 VanDerWaalsContact O-OG1 3.04Å
865	H	40	Very low	52.9	Low	156 Å²	156	60.3 Å²	60.3	72%	0.722	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-39.9	-30.1	-179.6	-175.6	-82.7	0	0	0	117.2	T867	H865-T867 PolarHBondContact O-N 3.38Å; H865-T867 VanDerWaalsContact O-N 3.15Å
866	D	41.6	Very low	51.5	Low	89 Å²	89	58.3 Å²	58.3	48%	0.476	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-24.6	176.1	-58.7	-51.1	0	0	0	113.6	L832 T833 S864 Q868	L832-D866 WeakPolarHBondContact O-CB 3.45Å; T833-D866 HydrophobicContact CG2-CB 4.41Å; S864-D866 PolarHBondContact O-N 3.13Å; D866-Q868 PolarHBondContact O-N 3.25Å
867	T	40.2	Very low	50	Low	34 Å²	34	60.1 Å²	60.1	21%	0.209	29%	0.291	C	S	.	.	S	Bend	trans	-86.5	85.9	173.1	63.5	0	0	0	0	110.5	K197 T833 F863 S864 H865	K197-T867 WeakPolarHBondContact O-CG2 3.2Å; T833-T867 HydrophobicContact CG2-CG2 4.22Å; F863-T867 WeakPolarHBondContact CB-OG1 3.46Å; S864-T867 PolarHBondContact O-N 3.06Å; S864-T867 PolarHBondContact O-OG1 2.83Å; S864-T867 VanDerWaalsContact O-OG1 3.04Å; H865-T867 PolarHBondContact O-N 3.38Å; H865-T867 VanDerWaalsContact O-N 3.15Å
868	Q	28.1	Very low	48.2	Very low	159 Å²	159	64.5 Å²	64.5	74%	0.743	31%	0.312	S	S	*	.			trans	-56.6	140.4	-174.3	-65	-178.8	-5	0	0	114.1	K197 D866	K197-Q868 PolarHBondContact NZ-O 3.18Å; D866-Q868 PolarHBondContact O-N 3.25Å
869	F	29.1	Very low	46.7	Very low	175 Å²	175	68.9 Å²	68.9	77%	0.768	33%	0.333	S	S	*	.			trans	72.4	127.3	162.9	-115.7	-87.2	0	0	0	119.6	K197	K197-F869 PolarHBondContact NZ-O 2.67Å
870	F	34.1	Very low	44.9	Very low	131 Å²	131	74 Å²	74	58%	0.575	36%	0.357	S	S	*	.				-135.9	0	125.6	-101.6	-70.2	0	0	0	108.7	K197 M859	K197-F870 HydrophobicContact CD-CE2 4.47Å; M859-F870 HydrophobicContact CE-CD1 4.11Å; M859-F870 HydrophobicContact CE-CE1 3.41Å; M859-F870 VanDerWaalsContact CE-CE1 3.41Å; M859-F870 HydrophobicContact CE-CE2 4.39Å; M859-F870 HydrophobicContact CE-CZ 3.57Å; M859-F870 HydrophobicContact SD-CE1 4.47Å; M859-F870 HydrophobicContact SD-CZ 4.04Å

Retrieved 870 of 870 residues in 2221.6 ms (Link to these results)

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