A0A3Q0KN19_SCHMA Loading...

DFDF domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KN19, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 889 aa.

						>A0A3Q0KN19_SCHMA|A0A3Q0KN19
MTNQYTGFKVELTSSQLGKIVGIVSNVSENKISLINAVINNYPPTIPSFAVESRFIQNIRILSTASDDESSGSDTPVKGPNKSSNSSREQRREWLRNIPNACSVYVCPDSPPIIHRTPGAPGSGSNINDISNGFGPSNDLQLLDNALGKASIREPNDLSPARKYGVNNHRHSKRRSYSMSETAGATSDISGAESDSFHRYTNSGSRGQFNCGGSGIANRHAQNRGHPRDNNNNSHNHRSGGNTGLNGGGSSGQRNLADWDRICVEEFIDEDFDFEGNLALFNKSAFYEMVDSREGHSITNTSDVNNSSVSSLPHFIEGPDGVGIPLFTTPTQSSNLVTTMTASTRTTLTITSSGSHYEEKHKINNTQINTTSNNKFINHHNSTSSGVVTSSPAAAVTVHSKESNFNDNINNKQYYINSIKQRNNQYWYTCTGQRVPIFPLEQRQRLFNYLTTGLNLDIQISNKFQGITWGRFIESATRPLIDNIMIHLRQLNRTPQRIIHRPPARILIVSNGSNHLGAVLSLNVARYLSTLGACVLLVTSSMHCAKTTANNNNSVDSTTVAASEDVSDEYPTDNSIMSAIYRQELHLLMNLAPKPNQYGLDDLDDDEDDELDQYSDDGREINNENNHDDEYNNDKQIPGLHTVNSNDNGNHTNDDNSISIGPSSANVREHNDVDFDNMSCLNYSDISSIVDHSSVGRIWMSRMPGLKIIRRPSSVIKLPSSMRIDLAIIGHPDDSTTVNKDNSSSSSNTNLLFNWLRNHNSIGGIIHLTPSQSIVDSNILLRNAQHFVWVIELGLPILTPQCHSTSSSTTTSTVSIPLTETTLNSSSTPTNTTTSSPTHLLIDVGLGRNIVRKLTGDLNLLPPYGLFDLGSMIPLRSEQSNSVQQQISR
					

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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	43.1	Very low	75.2	Confident	207 Å²	207	82.9 Å²	82.9	100%	1.02	42%	0.423	S	S	*	.				0	17.2	0	-64.5	-172.1	-164.6	0	0	112.4	N3	M1-N3 PolarHBondContact O-N 3.47Å
2	T	51.6	Low	76.5	Confident	79 Å²	79	76 Å²	76	49%	0.485	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-13.3	-161.8	45.7	0	0	0	0	115.7
3	N	59.8	Low	77.5	Confident	126 Å²	126	73.3 Å²	73.3	67%	0.674	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.9	6.5	-170.8	-60.5	5.6	0	0	0	113.8	M1 Y5	M1-N3 PolarHBondContact O-N 3.47Å; N3-Y5 PolarHBondContact O-N 3.2Å
4	Q	67.7	Low	78.3	Confident	131 Å²	131	68.4 Å²	68.4	61%	0.612	35%	0.352	S	S	*	.	S	Bend	trans	-77.8	-21.5	-170.1	-170.5	170.2	-1.1	0	0	113.8	F8	Q4-F8 WeakPolarHBondContact O-CE2 3.21Å
5	Y	75.6	Confident	78.7	Confident	107 Å²	107	68.3 Å²	68.3	42%	0.42	36%	0.36	S	S	.	.	S	Bend	trans	-112.5	2.5	-174.8	-54.2	-71.7	0	0	0	113	N3 G7 F8 V24 V27	N3-Y5 PolarHBondContact O-N 3.2Å; Y5-G7 PolarHBondContact O-N 2.8Å; Y5-F8 VanDerWaalsContact C-CD2 3.47Å; Y5-F8 WeakPolarHBondContact O-CB 3.49Å; Y5-F8 WeakPolarHBondContact O-CD2 2.79Å; Y5-F8 PolarHBondContact O-N 2.97Å; Y5-V24 VanDerWaalsContact O-CB 3.22Å; Y5-V24 WeakPolarHBondContact O-CB 3.44Å; Y5-V24 WeakPolarHBondContact O-CG1 3.49Å; Y5-V27 HydrophobicContact CD2-CG2 4.35Å
6	T	83.6	Confident	79.1	Confident	60 Å²	60	71.9 Å²	71.9	37%	0.368	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	134.6	177.2	-54.1	0	0	0	0	109.8	V24 S25	T6-V24 CarbonylContact C-O 3.52Å; T6-V24 VanDerWaalsContact CA-O 3.31Å; T6-V24 WeakPolarHBondContact CA-O 3.33Å; T6-S25 WeakPolarHBondContact CG2-O 3.42Å
7	G	82	Confident	79.2	Confident	28 Å²	28	71.6 Å²	71.6	29%	0.289	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.6	-3.7	-176.6	0	0	0	0	0	115.2	Y5 V24 A65	Y5-G7 PolarHBondContact O-N 2.8Å; G7-V24 PolarHBondContact N-O 2.79Å; G7-A65 WeakPolarHBondContact O-CA 3.24Å; G7-A65 WeakPolarHBondContact O-CB 3.36Å; G7-A65 PolarHBondContact O-N 3.42Å
8	F	88.3	Confident	79.6	Confident	41 Å²	41	69 Å²	69	18%	0.18	37%	0.366	C	S	.	.			trans	-77.2	132.9	177.8	-73.9	-128.6	0	0	0	109.8	Q4 Y5 V10 I23 V24 I61 S63 T64 A65	Q4-F8 WeakPolarHBondContact O-CE2 3.21Å; Y5-F8 VanDerWaalsContact C-CD2 3.47Å; Y5-F8 WeakPolarHBondContact O-CB 3.49Å; Y5-F8 WeakPolarHBondContact O-CD2 2.79Å; Y5-F8 PolarHBondContact O-N 2.97Å; F8-V10 HydrophobicContact CB-CG1 4.15Å; F8-I23 CarbonylContact O-C 3.44Å; F8-I23 WeakPolarHBondContact O-CA 3.43Å; F8-V24 HydrophobicContact CB-CG2 4.48Å; F8-V24 PolarHBondContact O-N 2.84Å; F8-I61 HydrophobicContact CD1-CD1 4.16Å; F8-I61 HydrophobicContact CD1-CG2 3.95Å; F8-I61 HydrophobicContact CE1-CD1 4.4Å; F8-S63 CarbonylContact C-O 3.55Å; F8-S63 WeakPolarHBondContact CA-O 3.5Å; F8-T64 HydrophobicContact CD1-CG2 3.92Å; F8-T64 HydrophobicContact CE1-CG2 3.52Å; F8-T64 HydrophobicContact CZ-CG2 4.07Å; F8-A65 HydrophobicContact CD2-CB 4.47Å
9	K	91.5	Very high	80.2	Confident	96 Å²	96	69.8 Å²	69.8	42%	0.417	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	120.8	167.7	-165.4	178.2	-177.8	172.8	0	108.4	G22 L62 S63	K9-G22 CarbonylContact C-O 3.54Å; K9-G22 WeakPolarHBondContact CA-O 3.32Å; K9-L62 HydrophobicContact CB-CB 4.31Å; K9-L62 HydrophobicContact CD-CB 4.36Å; K9-L62 HydrophobicContact CD-CD1 4.47Å; K9-L62 HydrophobicContact CG-CB 4.18Å; K9-L62 HydrophobicContact CG-CD1 4.28Å; K9-L62 PolarHBondContact O-N 2.95Å; K9-S63 WeakPolarHBondContact CB-OG 3.46Å; K9-S63 PolarHBondContact N-O 3.16Å; K9-S63 PolarHBondContact O-N 3.24Å
10	V	91.4	Very high	80.6	Confident	8 Å²	8	66.3 Å²	66.3	5%	0.048	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	148	-176	-59.6	0	0	0	0	111.2	F8 L12 V21 G22 V24 L34 R60 I61	F8-V10 HydrophobicContact CB-CG1 4.15Å; V10-L12 HydrophobicContact CG2-CD2 4.1Å; V10-L12 HydrophobicContact CG2-CG 4.14Å; V10-V21 CarbonylContact O-C 3.58Å; V10-V21 VanDerWaalsContact O-CA 3.28Å; V10-V21 WeakPolarHBondContact O-CA 3.4Å; V10-G22 PolarHBondContact N-O 2.87Å; V10-G22 PolarHBondContact O-N 3.45Å; V10-V24 HydrophobicContact CB-CG2 4.33Å; V10-V24 HydrophobicContact CG1-CG2 3.73Å; V10-V24 HydrophobicContact CG2-CG2 3.59Å; V10-L34 HydrophobicContact CG2-CD1 4.47Å; V10-L34 HydrophobicContact CG2-CD2 3.41Å; V10-L34 VanDerWaalsContact CG2-CD2 3.41Å; V10-R60 CarbonylContact C-O 3.56Å; V10-R60 WeakPolarHBondContact CA-O 3.42Å; V10-I61 HydrophobicContact CG1-CG1 4.36Å
11	E	92.9	Very high	81.1	Confident	29 Å²	29	64.4 Å²	64.4	14%	0.136	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	111.8	167.9	174.6	-178.9	107.6	0	0	107.9	K19 I20 V21 I59 R60 L62	E11-K19 VanDerWaalsContact CG-CE 3.47Å; E11-K19 HydrophobicContact CG-CG 4.14Å; E11-K19 IonicContact OE1-NZ 3.19Å; E11-K19 WeakPolarHBondContact OE2-CE 3.48Å; E11-K19 IonicContact OE2-NZ 3.21Å; E11-K19 PolarHBondContact OE2-NZ 2.91Å; E11-I20 CarbonylContact C-O 3.59Å; E11-I20 WeakPolarHBondContact CA-O 3.34Å; E11-V21 HydrophobicContact CB-CG2 4.04Å; E11-V21 HydrophobicContact CG-CG2 4.01Å; E11-I59 CarbonylContact O-C 3.58Å; E11-I59 WeakPolarHBondContact O-CA 3.36Å; E11-R60 HydrophobicContact CB-CB 4.22Å; E11-R60 PolarHBondContact N-O 2.84Å; E11-R60 PolarHBondContact O-N 2.98Å; E11-L62 HydrophobicContact CB-CD1 4.07Å; E11-L62 HydrophobicContact CB-CD2 3.99Å; E11-L62 HydrophobicContact CB-CG 3.99Å
12	L	90.3	Very high	83.4	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	125.1	175.1	-52.4	177.5	0	0	0	108.9	V10 K19 I20 I32 L34 V51 I56 N58 I59	V10-L12 HydrophobicContact CG2-CD2 4.1Å; V10-L12 HydrophobicContact CG2-CG 4.14Å; L12-K19 CarbonylContact O-C 3.55Å; L12-I20 HydrophobicContact CB-CB 4.29Å; L12-I20 PolarHBondContact N-O 3.43Å; L12-I20 PolarHBondContact O-N 3.11Å; L12-I32 HydrophobicContact CD1-CG2 4.39Å; L12-I32 HydrophobicContact CD2-CD1 4.24Å; L12-L34 HydrophobicContact CD1-CD1 3.48Å; L12-L34 VanDerWaalsContact CD1-CD1 3.48Å; L12-L34 HydrophobicContact CD1-CD2 4.31Å; L12-L34 HydrophobicContact CD1-CG 4.05Å; L12-L34 HydrophobicContact CG-CD1 4.11Å; L12-V51 HydrophobicContact CD1-CB 4.01Å; L12-V51 HydrophobicContact CD1-CG1 4.45Å; L12-V51 HydrophobicContact CD1-CG2 3.81Å; L12-I56 HydrophobicContact CD1-CD1 4.36Å; L12-I56 HydrophobicContact CD2-CD1 4.4Å; L12-I56 HydrophobicContact CD2-CG2 4.37Å; L12-N58 CarbonylContact C-O 3.55Å; L12-N58 WeakPolarHBondContact CA-O 3.08Å; L12-I59 HydrophobicContact CD2-CB 4.08Å; L12-I59 HydrophobicContact CD2-CD1 3.86Å; L12-I59 HydrophobicContact CD2-CG1 3.56Å; L12-I59 HydrophobicContact CD2-CG2 3.76Å
13	T	90.1	Very high	85.3	Confident	41 Å²	41	52.3 Å²	52.3	25%	0.252	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	114.6	164.6	-53.2	0	0	0	0	107.7	I56 Q57 N58	T13-I56 CarbonylContact O-C 3.5Å; T13-Q57 HydrophobicContact CG2-CB 4.38Å; T13-Q57 PolarHBondContact O-N 3.23Å; T13-N58 PolarHBondContact N-O 2.86Å; T13-N58 PolarHBondContact O-N 2.82Å
14	S	88.2	Confident	86.7	Confident	4 Å²	4	46.5 Å²	46.5	3%	0.028	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	136.7	179.2	178.2	0	0	0	0	112.2	Q16 L17 G18 F55	S14-Q16 PolarHBondContact O-N 3.05Å; S14-Q16 PolarHBondContact OG-N 2.87Å; S14-L17 PolarHBondContact OG-N 2.7Å; S14-G18 WeakPolarHBondContact CB-O 3.25Å; S14-G18 PolarHBondContact N-O 3.35Å; S14-G18 WeakPolarHBondContact O-CA 3.49Å; S14-G18 PolarHBondContact O-N 2.97Å; S14-F55 CarbonylContact C-O 3.59Å; S14-F55 WeakPolarHBondContact CA-O 3.29Å; S14-F55 PolarHBondContact OG-O 3.11Å; S14-F55 VanDerWaalsContact OG-O 3.1Å
15	S	85	Confident	87.8	Confident	68 Å²	68	42.3 Å²	42.3	48%	0.476	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-18.1	173.2	57	0	0	0	0	114	F55	S15-F55 PolarHBondContact N-O 3.46Å; S15-F55 PolarHBondContact OG-O 3.24Å
16	Q	84.5	Confident	88.4	Confident	125 Å²	125	40.8 Å²	40.8	58%	0.584	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.4	-40.5	178.4	-69.1	-168.3	-32.2	0	0	113.5	S14 F55	S14-Q16 PolarHBondContact O-N 3.05Å; S14-Q16 PolarHBondContact OG-N 2.87Å; Q16-F55 HydrophobicContact CG-CD1 3.55Å; Q16-F55 HydrophobicContact CG-CE1 3.76Å; Q16-F55 HydrophobicContact CG-CG 4.02Å; Q16-F55 HydrophobicContact CG-CZ 4.37Å; Q16-F55 VanDerWaalsContact OE1-CE2 3.27Å; Q16-F55 VanDerWaalsContact OE1-CZ 3.23Å
17	L	81	Confident	88.5	Confident	67 Å²	67	39.2 Å²	39.2	35%	0.351	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-7.4	-170.3	-63	173	0	0	0	112.9	S14 I20 I39 N40	S14-L17 PolarHBondContact OG-N 2.7Å; L17-I20 HydrophobicContact CB-CD1 3.83Å; L17-I20 HydrophobicContact CB-CG1 4.11Å; L17-I20 HydrophobicContact CD1-CD1 3.69Å; L17-I20 HydrophobicContact CG-CD1 4.4Å; L17-I39 HydrophobicContact CB-CG2 4.41Å; L17-I39 VanDerWaalsContact O-CG2 3.23Å; L17-I39 WeakPolarHBondContact O-CG2 3.13Å; L17-N40 PolarHBondContact O-ND2 2.56Å
18	G	86.4	Confident	88.6	Confident	25 Å²	25	39.8 Å²	39.8	26%	0.258	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	72.5	-142.1	-170.4	0	0	0	0	0	111.2	S14	S14-G18 WeakPolarHBondContact CB-O 3.25Å; S14-G18 PolarHBondContact N-O 3.35Å; S14-G18 WeakPolarHBondContact O-CA 3.49Å; S14-G18 PolarHBondContact O-N 2.97Å
19	K	90.1	Very high	88	Confident	84 Å²	84	46.5 Å²	46.5	37%	0.365	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	123.6	-173.9	-171.5	179.9	-175.2	178	0	111.1	E11 L12 I39 N40	E11-K19 VanDerWaalsContact CG-CE 3.47Å; E11-K19 HydrophobicContact CG-CG 4.14Å; E11-K19 IonicContact OE1-NZ 3.19Å; E11-K19 WeakPolarHBondContact OE2-CE 3.48Å; E11-K19 IonicContact OE2-NZ 3.21Å; E11-K19 PolarHBondContact OE2-NZ 2.91Å; L12-K19 CarbonylContact O-C 3.55Å; K19-I39 CarbonylContact O-C 3.55Å; K19-I39 WeakPolarHBondContact O-CA 3.3Å; K19-N40 PolarHBondContact N-OD1 3.03Å; K19-N40 PolarHBondContact O-N 2.61Å
20	I	89.8	Confident	87.7	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	123.6	-179	-47.6	166.2	0	0	0	109.1	E11 L12 L17 L34 A37 V38 I39 V51	E11-I20 CarbonylContact C-O 3.59Å; E11-I20 WeakPolarHBondContact CA-O 3.34Å; L12-I20 HydrophobicContact CB-CB 4.29Å; L12-I20 PolarHBondContact N-O 3.43Å; L12-I20 PolarHBondContact O-N 3.11Å; L17-I20 HydrophobicContact CB-CD1 3.83Å; L17-I20 HydrophobicContact CB-CG1 4.11Å; L17-I20 HydrophobicContact CD1-CD1 3.69Å; L17-I20 HydrophobicContact CG-CD1 4.4Å; I20-L34 HydrophobicContact CG2-CD1 3.64Å; I20-A37 HydrophobicContact CG2-CB 3.96Å; I20-V38 CarbonylContact C-O 3.58Å; I20-V38 VanDerWaalsContact CA-O 3.28Å; I20-V38 WeakPolarHBondContact CA-O 3.35Å; I20-I39 HydrophobicContact CG1-CG1 4.27Å; I20-I39 HydrophobicContact CG2-CG1 4.15Å; I20-V51 HydrophobicContact CD1-CG1 4.28Å; I20-V51 HydrophobicContact CD1-CG2 3.5Å; I20-V51 VanDerWaalsContact CD1-CG2 3.5Å
21	V	91.3	Very high	87.6	Confident	27 Å²	27	51.3 Å²	51.3	16%	0.164	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	116.2	178.2	175.9	0	0	0	0	110	V10 E11 A37 V38 L62	V10-V21 CarbonylContact O-C 3.58Å; V10-V21 VanDerWaalsContact O-CA 3.28Å; V10-V21 WeakPolarHBondContact O-CA 3.4Å; E11-V21 HydrophobicContact CB-CG2 4.04Å; E11-V21 HydrophobicContact CG-CG2 4.01Å; V21-A37 CarbonylContact O-C 3.58Å; V21-A37 VanDerWaalsContact O-C 3.27Å; V21-A37 WeakPolarHBondContact O-CA 3.35Å; V21-V38 PolarHBondContact N-O 2.79Å; V21-V38 PolarHBondContact O-N 2.63Å; V21-L62 HydrophobicContact CB-CD1 4.49Å; V21-L62 HydrophobicContact CG1-CD1 3.43Å; V21-L62 VanDerWaalsContact CG1-CD1 3.43Å; V21-L62 HydrophobicContact CG2-CD1 4.32Å
22	G	90.1	Very high	87.5	Confident	1 Å²	1	51 Å²	51	1%	0.01	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	178.1	-178.7	0	0	0	0	0	113.9	K9 V10	K9-G22 CarbonylContact C-O 3.54Å; K9-G22 WeakPolarHBondContact CA-O 3.32Å; V10-G22 PolarHBondContact N-O 2.87Å; V10-G22 PolarHBondContact O-N 3.45Å
23	I	91.3	Very high	87.5	Confident	30 Å²	30	51.9 Å²	51.9	15%	0.154	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	127	179.7	-59.1	170.4	0	0	0	109.2	F8 S25 L34 I35	F8-I23 CarbonylContact O-C 3.44Å; F8-I23 WeakPolarHBondContact O-CA 3.43Å; I23-S25 PolarHBondContact O-N 3.14Å; I23-L34 CarbonylContact O-C 3.59Å; I23-L34 WeakPolarHBondContact O-CA 3.45Å; I23-I35 HydrophobicContact CB-CG1 3.88Å; I23-I35 HydrophobicContact CG2-CD1 4.44Å; I23-I35 HydrophobicContact CG2-CG1 4.24Å; I23-I35 PolarHBondContact N-O 2.97Å; I23-I35 WeakPolarHBondContact O-CG1 3.38Å; I23-I35 PolarHBondContact O-N 3.04Å
24	V	90.9	Very high	87.6	Confident	5 Å²	5	49.9 Å²	49.9	3%	0.03	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	117.6	-179.5	176.9	0	0	0	0	110.6	Y5 T6 G7 F8 V10 V27 I32 S33 L34	Y5-V24 VanDerWaalsContact O-CB 3.22Å; Y5-V24 WeakPolarHBondContact O-CB 3.44Å; Y5-V24 WeakPolarHBondContact O-CG1 3.49Å; T6-V24 CarbonylContact C-O 3.52Å; T6-V24 VanDerWaalsContact CA-O 3.31Å; T6-V24 WeakPolarHBondContact CA-O 3.33Å; G7-V24 PolarHBondContact N-O 2.79Å; F8-V24 HydrophobicContact CB-CG2 4.48Å; F8-V24 PolarHBondContact O-N 2.84Å; V10-V24 HydrophobicContact CB-CG2 4.33Å; V10-V24 HydrophobicContact CG1-CG2 3.73Å; V10-V24 HydrophobicContact CG2-CG2 3.59Å; V24-V27 HydrophobicContact CG1-CG2 3.3Å; V24-I32 HydrophobicContact CG1-CG2 4.32Å; V24-I32 HydrophobicContact CG2-CG2 4.1Å; V24-S33 CarbonylContact C-O 3.47Å; V24-S33 WeakPolarHBondContact CA-O 3.44Å; V24-L34 HydrophobicContact CB-CD2 4.44Å; V24-L34 HydrophobicContact CG2-CD2 3.79Å
25	S	89.9	Confident	87.6	Confident	43 Å²	43	53 Å²	53	30%	0.301	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	-32.9	175.8	59.8	0	0	0	0	112.9	T6 I23 S33	T6-S25 WeakPolarHBondContact CG2-O 3.42Å; I23-S25 PolarHBondContact O-N 3.14Å; S25-S33 PolarHBondContact N-O 2.98Å; S25-S33 WeakPolarHBondContact OG-CB 3.21Å; S25-S33 PolarHBondContact OG-O 2.99Å
26	N	88.3	Confident	87.6	Confident	74 Å²	74	55.4 Å²	55.4	40%	0.396	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	134.1	179.3	-171.7	-7.9	0	0	0	110.1	S33	N26-S33 PolarHBondContact N-O 2.84Å; N26-S33 PolarHBondContact O-N 2.92Å
27	V	86	Confident	87.6	Confident	27 Å²	27	49.7 Å²	49.7	16%	0.164	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	117.9	171.8	-175.6	0	0	0	0	109	Y5 V24	Y5-V27 HydrophobicContact CD2-CG2 4.35Å; V24-V27 HydrophobicContact CG1-CG2 3.3Å
28	S	83.3	Confident	87.8	Confident	40 Å²	40	49 Å²	49	28%	0.28	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	167.3	167.7	67.5	0	0	0	0	109.4	N30 K31	S28-N30 PolarHBondContact O-N 3.02Å; S28-N30 VanDerWaalsContact O-N 3.09Å; S28-K31 PolarHBondContact N-O 2.9Å; S28-K31 PolarHBondContact O-N 2.8Å; S28-K31 VanDerWaalsContact O-O 3.06Å; S28-K31 WeakPolarHBondContact OG-CG 3.42Å; S28-K31 PolarHBondContact OG-N 2.88Å; S28-K31 PolarHBondContact OG-O 2.85Å; S28-K31 VanDerWaalsContact OG-O 3.1Å
29	E	76.2	Confident	87.8	Confident	182 Å²	182	49.2 Å²	49.2	85%	0.85	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-31.3	-177.9	-67.8	178.1	169.7	0	0	113.3
30	N	84.8	Confident	87.5	Confident	112 Å²	112	49 Å²	49	60%	0.599	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.7	-8.8	-171.6	-61.2	-6.4	0	0	0	113.8	S28 E52 S53	S28-N30 PolarHBondContact O-N 3.02Å; S28-N30 VanDerWaalsContact O-N 3.09Å; N30-E52 CarbonylContact O-C 3.51Å; N30-E52 WeakPolarHBondContact O-CA 3.39Å; N30-S53 PolarHBondContact O-N 3.4Å; N30-S53 PolarHBondContact O-OG 3.24Å
31	K	89.5	Confident	86.9	Confident	94 Å²	94	55.5 Å²	55.5	41%	0.409	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	145.2	-175.7	57.5	174.8	-178.6	180	0	112.5	S28 A50 V51	S28-K31 PolarHBondContact N-O 2.9Å; S28-K31 PolarHBondContact O-N 2.8Å; S28-K31 VanDerWaalsContact O-O 3.06Å; S28-K31 WeakPolarHBondContact OG-CG 3.42Å; S28-K31 PolarHBondContact OG-N 2.88Å; S28-K31 PolarHBondContact OG-O 2.85Å; S28-K31 VanDerWaalsContact OG-O 3.1Å; K31-A50 HydrophobicContact CD-CB 4.17Å; K31-V51 CarbonylContact C-O 3.56Å; K31-V51 VanDerWaalsContact CA-O 3.24Å; K31-V51 WeakPolarHBondContact CA-O 3.46Å
32	I	90.6	Very high	86.1	Confident	23 Å²	23	62.6 Å²	62.6	12%	0.118	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	120.2	167.3	-59.7	-178.3	0	0	0	107.5	L12 V24 L34 A50 V51 I56 I59	L12-I32 HydrophobicContact CD1-CG2 4.39Å; L12-I32 HydrophobicContact CD2-CD1 4.24Å; V24-I32 HydrophobicContact CG1-CG2 4.32Å; V24-I32 HydrophobicContact CG2-CG2 4.1Å; I32-L34 HydrophobicContact CG2-CD2 3.8Å; I32-L34 HydrophobicContact CG2-CG 4.38Å; I32-A50 CarbonylContact O-C 3.57Å; I32-A50 WeakPolarHBondContact O-CA 3.33Å; I32-V51 PolarHBondContact N-O 2.96Å; I32-V51 PolarHBondContact O-N 3.29Å; I32-I56 HydrophobicContact CB-CD1 4.49Å; I32-I56 HydrophobicContact CD1-CD1 3.8Å; I32-I56 HydrophobicContact CG1-CD1 4.15Å; I32-I59 HydrophobicContact CD1-CD1 3.57Å
33	S	90.8	Very high	85	Confident	17 Å²	17	67.7 Å²	67.7	12%	0.119	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	126.7	173.4	-50.7	0	0	0	0	109.1	V24 S25 N26 F49	V24-S33 CarbonylContact C-O 3.47Å; V24-S33 WeakPolarHBondContact CA-O 3.44Å; S25-S33 PolarHBondContact N-O 2.98Å; S25-S33 WeakPolarHBondContact OG-CB 3.21Å; S25-S33 PolarHBondContact OG-O 2.99Å; N26-S33 PolarHBondContact N-O 2.84Å; N26-S33 PolarHBondContact O-N 2.92Å; S33-F49 CarbonylContact C-O 3.41Å; S33-F49 VanDerWaalsContact CA-O 3.26Å; S33-F49 WeakPolarHBondContact CA-O 3.43Å
34	L	91.2	Very high	83.7	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	137.5	177.8	-58.5	-177.7	0	0	0	109.8	V10 L12 I20 I23 V24 I32 A37 S48 F49	V10-L34 HydrophobicContact CG2-CD1 4.47Å; V10-L34 HydrophobicContact CG2-CD2 3.41Å; V10-L34 VanDerWaalsContact CG2-CD2 3.41Å; L12-L34 HydrophobicContact CD1-CD1 3.48Å; L12-L34 VanDerWaalsContact CD1-CD1 3.48Å; L12-L34 HydrophobicContact CD1-CD2 4.31Å; L12-L34 HydrophobicContact CD1-CG 4.05Å; L12-L34 HydrophobicContact CG-CD1 4.11Å; I20-L34 HydrophobicContact CG2-CD1 3.64Å; I23-L34 CarbonylContact O-C 3.59Å; I23-L34 WeakPolarHBondContact O-CA 3.45Å; V24-L34 HydrophobicContact CB-CD2 4.44Å; V24-L34 HydrophobicContact CG2-CD2 3.79Å; I32-L34 HydrophobicContact CG2-CD2 3.8Å; I32-L34 HydrophobicContact CG2-CG 4.38Å; L34-A37 HydrophobicContact CB-CB 4.08Å; L34-A37 HydrophobicContact CD1-CB 4.39Å; L34-S48 CarbonylContact O-C 3.53Å; L34-S48 WeakPolarHBondContact O-CA 3.36Å; L34-F49 PolarHBondContact N-O 3.13Å; L34-F49 PolarHBondContact O-N 2.92Å
35	I	89.2	Confident	82.5	Confident	68 Å²	68	74.9 Å²	74.9	35%	0.349	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	158.1	163.9	57.6	175	0	0	0	108.8	I23 A37	I23-I35 HydrophobicContact CB-CG1 3.88Å; I23-I35 HydrophobicContact CG2-CD1 4.44Å; I23-I35 HydrophobicContact CG2-CG1 4.24Å; I23-I35 PolarHBondContact N-O 2.97Å; I23-I35 WeakPolarHBondContact O-CG1 3.38Å; I23-I35 PolarHBondContact O-N 3.04Å; I35-A37 PolarHBondContact O-N 3.22Å; I35-A37 VanDerWaalsContact O-N 3.13Å
36	N	84.6	Confident	81.2	Confident	120 Å²	120	77 Å²	77	64%	0.642	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	50.6	37.8	-177.4	-62.7	-10.6	0	0	0	112.8
37	A	83.5	Confident	80.2	Confident	5 Å²	5	78.4 Å²	78.4	4%	0.041	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	149.8	-179.1	0	0	0	0	0	111	I20 V21 L34 I35 P44 F49	I20-A37 HydrophobicContact CG2-CB 3.96Å; V21-A37 CarbonylContact O-C 3.58Å; V21-A37 VanDerWaalsContact O-C 3.27Å; V21-A37 WeakPolarHBondContact O-CA 3.35Å; L34-A37 HydrophobicContact CB-CB 4.08Å; L34-A37 HydrophobicContact CD1-CB 4.39Å; I35-A37 PolarHBondContact O-N 3.22Å; I35-A37 VanDerWaalsContact O-N 3.13Å; A37-P44 WeakPolarHBondContact O-CD 3.29Å; A37-P44 WeakPolarHBondContact O-CG 3.23Å; A37-F49 HydrophobicContact CB-CB 4.41Å; A37-F49 HydrophobicContact CB-CD2 3.76Å; A37-F49 HydrophobicContact CB-CG 4.36Å
38	V	86.3	Confident	79.8	Confident	53 Å²	53	80.2 Å²	80.2	32%	0.321	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	124.7	173.5	178	0	0	0	0	107.5	I20 V21	I20-V38 CarbonylContact C-O 3.58Å; I20-V38 VanDerWaalsContact CA-O 3.28Å; I20-V38 WeakPolarHBondContact CA-O 3.35Å; V21-V38 PolarHBondContact N-O 2.79Å; V21-V38 PolarHBondContact O-N 2.63Å
39	I	86.1	Confident	79.7	Confident	28 Å²	28	79.9 Å²	79.9	14%	0.144	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	120.2	-175.3	-55.5	178.7	0	0	0	109.1	L17 K19 I20 N41 Y42 P44 F49	L17-I39 HydrophobicContact CB-CG2 4.41Å; L17-I39 VanDerWaalsContact O-CG2 3.23Å; L17-I39 WeakPolarHBondContact O-CG2 3.13Å; K19-I39 CarbonylContact O-C 3.55Å; K19-I39 WeakPolarHBondContact O-CA 3.3Å; I20-I39 HydrophobicContact CG1-CG1 4.27Å; I20-I39 HydrophobicContact CG2-CG1 4.15Å; I39-N41 PolarHBondContact O-N 3.05Å; I39-Y42 PolarHBondContact N-O 3Å; I39-Y42 WeakPolarHBondContact O-CA 3.47Å; I39-Y42 WeakPolarHBondContact O-CB 3.37Å; I39-Y42 PolarHBondContact O-N 3.33Å; I39-P44 HydrophobicContact CD1-CB 4.42Å; I39-F49 HydrophobicContact CD1-CD1 3.89Å; I39-F49 HydrophobicContact CD1-CE1 3.48Å; I39-F49 VanDerWaalsContact CD1-CE1 3.48Å; I39-F49 HydrophobicContact CD1-CE2 4.27Å; I39-F49 HydrophobicContact CD1-CG 4.43Å; I39-F49 HydrophobicContact CD1-CZ 3.7Å
40	N	83.8	Confident	80.3	Confident	79 Å²	79	74.2 Å²	74.2	42%	0.422	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	40.3	-178.9	-58.3	-41.2	0	0	0	113.2	L17 K19 Y42	L17-N40 PolarHBondContact O-ND2 2.56Å; K19-N40 PolarHBondContact N-OD1 3.03Å; K19-N40 PolarHBondContact O-N 2.61Å; N40-Y42 HydrophobicContact CB-CD2 4.42Å; N40-Y42 WeakPolarHBondContact O-CD2 2.89Å; N40-Y42 WeakPolarHBondContact O-CE2 3.41Å; N40-Y42 PolarHBondContact O-N 2.93Å
41	N	77	Confident	80.4	Confident	137 Å²	137	69 Å²	69	73%	0.733	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.9	10.3	-174.6	-53.7	-25.8	0	0	0	115.4	I39	I39-N41 PolarHBondContact O-N 3.05Å
42	Y	74.7	Confident	80.4	Confident	176 Å²	176	68.7 Å²	68.7	69%	0.69	39%	0.386	S	S	*	.	B	Isolated β-bridge	trans	-102.9	129.4	171.9	-63.9	-82.4	0	0	0	110.7	I39 N40 P44	I39-Y42 PolarHBondContact N-O 3Å; I39-Y42 WeakPolarHBondContact O-CA 3.47Å; I39-Y42 WeakPolarHBondContact O-CB 3.37Å; I39-Y42 PolarHBondContact O-N 3.33Å; N40-Y42 HydrophobicContact CB-CD2 4.42Å; N40-Y42 WeakPolarHBondContact O-CD2 2.89Å; N40-Y42 WeakPolarHBondContact O-CE2 3.41Å; N40-Y42 PolarHBondContact O-N 2.93Å; Y42-P44 WeakPolarHBondContact O-CD 3.22Å
43	P	67.5	Low	80.2	Confident	109 Å²	109	70.5 Å²	70.5	71%	0.708	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-66.4	122.5	172.5	26	-30.6	0	0	0	109
44	P	64.6	Low	80	Confident	40 Å²	40	78.3 Å²	78.3	26%	0.26	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-75.7	152.5	179.1	30	-32.9	0	0	0	111.3	A37 I39 Y42 I46 F49	A37-P44 WeakPolarHBondContact O-CD 3.29Å; A37-P44 WeakPolarHBondContact O-CG 3.23Å; I39-P44 HydrophobicContact CD1-CB 4.42Å; Y42-P44 WeakPolarHBondContact O-CD 3.22Å; P44-I46 PolarHBondContact O-N 2.96Å; P44-F49 HydrophobicContact CB-CD2 4.46Å; P44-F49 HydrophobicContact CB-CE2 3.27Å; P44-F49 HydrophobicContact CB-CZ 3.33Å; P44-F49 HydrophobicContact CG-CD2 4.16Å; P44-F49 HydrophobicContact CG-CE2 3.31Å; P44-F49 HydrophobicContact CG-CZ 3.93Å
45	T	63.8	Low	79.9	Confident	145 Å²	145	79.8 Å²	79.8	89%	0.89	43%	0.434	S	S	*	.	S	Bend	trans	-73.3	-3.9	176.3	47.7	0	0	0	0	114.1
46	I	63.8	Low	79.9	Confident	88 Å²	88	78.1 Å²	78.1	45%	0.451	43%	0.425	S	S	.	.	S	Bend	trans	-117	130.1	-170.9	-53.9	175.9	0	0	0	109.4	P44 S48 F49	P44-I46 PolarHBondContact O-N 2.96Å; I46-S48 WeakPolarHBondContact CG2-O 3.42Å; I46-S48 PolarHBondContact O-N 2.95Å; I46-F49 HydrophobicContact CB-CE2 3.93Å; I46-F49 HydrophobicContact CB-CZ 3.88Å; I46-F49 HydrophobicContact CD1-CZ 4.35Å; I46-F49 HydrophobicContact CG1-CZ 4.42Å; I46-F49 VanDerWaalsContact O-CE2 3.31Å; I46-F49 WeakPolarHBondContact O-CE2 3.35Å
47	P	67.6	Low	80.1	Confident	103 Å²	103	78.9 Å²	78.9	67%	0.669	43%	0.425	S	S	*	.	S	Bend	trans	-70.4	-14.3	-173.2	26.6	-35.1	0	0	0	114.4
48	S	77.9	Confident	80.3	Confident	65 Å²	65	83.1 Å²	83.1	46%	0.455	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	136	-178.2	64.9	0	0	0	0	112.4	L34 I46	L34-S48 CarbonylContact O-C 3.53Å; L34-S48 WeakPolarHBondContact O-CA 3.36Å; I46-S48 WeakPolarHBondContact CG2-O 3.42Å; I46-S48 PolarHBondContact O-N 2.95Å
49	F	81.2	Confident	80.5	Confident	34 Å²	34	84.3 Å²	84.3	15%	0.149	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	129.5	176.4	-78.3	-90.6	0	0	0	110.6	S33 L34 A37 I39 P44 I46	S33-F49 CarbonylContact C-O 3.41Å; S33-F49 VanDerWaalsContact CA-O 3.26Å; S33-F49 WeakPolarHBondContact CA-O 3.43Å; L34-F49 PolarHBondContact N-O 3.13Å; L34-F49 PolarHBondContact O-N 2.92Å; A37-F49 HydrophobicContact CB-CB 4.41Å; A37-F49 HydrophobicContact CB-CD2 3.76Å; A37-F49 HydrophobicContact CB-CG 4.36Å; I39-F49 HydrophobicContact CD1-CD1 3.89Å; I39-F49 HydrophobicContact CD1-CE1 3.48Å; I39-F49 VanDerWaalsContact CD1-CE1 3.48Å; I39-F49 HydrophobicContact CD1-CE2 4.27Å; I39-F49 HydrophobicContact CD1-CG 4.43Å; I39-F49 HydrophobicContact CD1-CZ 3.7Å; P44-F49 HydrophobicContact CB-CD2 4.46Å; P44-F49 HydrophobicContact CB-CE2 3.27Å; P44-F49 HydrophobicContact CB-CZ 3.33Å; P44-F49 HydrophobicContact CG-CD2 4.16Å; P44-F49 HydrophobicContact CG-CE2 3.31Å; P44-F49 HydrophobicContact CG-CZ 3.93Å; I46-F49 HydrophobicContact CB-CE2 3.93Å; I46-F49 HydrophobicContact CB-CZ 3.88Å; I46-F49 HydrophobicContact CD1-CZ 4.35Å; I46-F49 HydrophobicContact CG1-CZ 4.42Å; I46-F49 VanDerWaalsContact O-CE2 3.31Å; I46-F49 WeakPolarHBondContact O-CE2 3.35Å
50	A	87.4	Confident	80.6	Confident	62 Å²	62	89.3 Å²	89.3	51%	0.512	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	113.6	167.5	0	0	0	0	0	108.7	K31 I32	K31-A50 HydrophobicContact CD-CB 4.17Å; I32-A50 CarbonylContact O-C 3.57Å; I32-A50 WeakPolarHBondContact O-CA 3.33Å
51	V	88	Confident	80.9	Confident	4 Å²	4	90 Å²	90	2%	0.024	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	116.1	177	-169.7	0	0	0	0	107.6	L12 I20 K31 I32 I56	L12-V51 HydrophobicContact CD1-CB 4.01Å; L12-V51 HydrophobicContact CD1-CG1 4.45Å; L12-V51 HydrophobicContact CD1-CG2 3.81Å; I20-V51 HydrophobicContact CD1-CG1 4.28Å; I20-V51 HydrophobicContact CD1-CG2 3.5Å; I20-V51 VanDerWaalsContact CD1-CG2 3.5Å; K31-V51 CarbonylContact C-O 3.56Å; K31-V51 VanDerWaalsContact CA-O 3.24Å; K31-V51 WeakPolarHBondContact CA-O 3.46Å; I32-V51 PolarHBondContact N-O 2.96Å; I32-V51 PolarHBondContact O-N 3.29Å; V51-I56 HydrophobicContact CB-CD1 4.3Å; V51-I56 HydrophobicContact CB-CG1 4.36Å; V51-I56 HydrophobicContact CG1-CD1 4.02Å; V51-I56 HydrophobicContact CG1-CG1 3.54Å
52	E	89.2	Confident	81.3	Confident	86 Å²	86	87 Å²	87	40%	0.402	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	140.1	176.1	-60.9	-176.7	171.4	0	0	110.3	N30 R54 F55	N30-E52 CarbonylContact O-C 3.51Å; N30-E52 WeakPolarHBondContact O-CA 3.39Å; E52-R54 HydrophobicContact CB-CG 3.97Å; E52-R54 PolarHBondContact O-N 2.86Å; E52-R54 VanDerWaalsContact O-N 3.11Å; E52-R54 VanDerWaalsContact OE2-CD 3.25Å; E52-R54 WeakPolarHBondContact OE2-CD 3.48Å; E52-R54 IonicContact OE2-CZ 2.72Å; E52-R54 IonicContact OE2-NE 3.73Å; E52-R54 PolarHBondContact OE2-NE 3.38Å; E52-R54 IonicContact OE2-NH1 3.9Å; E52-F55 HydrophobicContact CB-CD2 3.73Å; E52-F55 HydrophobicContact CB-CE2 4.05Å; E52-F55 HydrophobicContact CG-CD2 4.35Å; E52-F55 HydrophobicContact CG-CE2 4.29Å; E52-F55 PolarHBondContact O-N 2.88Å; E52-F55 WeakPolarHBondContact OE2-CE2 3.21Å
53	S	85.4	Confident	81.8	Confident	61 Å²	61	81.4 Å²	81.4	43%	0.427	44%	0.44	S	S	.	.	G	3₁₀ helix	trans	-54.5	-35.3	-177.2	55.5	0	0	0	0	112.7	N30 F55 I56	N30-S53 PolarHBondContact O-N 3.4Å; N30-S53 PolarHBondContact O-OG 3.24Å; S53-F55 PolarHBondContact O-N 3.03Å; S53-F55 VanDerWaalsContact O-N 3.16Å; S53-I56 PolarHBondContact O-N 2.94Å; S53-I56 VanDerWaalsContact O-N 3.11Å
54	R	87.1	Confident	82.5	Confident	182 Å²	182	80.6 Å²	80.6	69%	0.687	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-60.8	-21.1	177	71.8	-176	-134.6	179	6.6	114.7	E52	E52-R54 HydrophobicContact CB-CG 3.97Å; E52-R54 PolarHBondContact O-N 2.86Å; E52-R54 VanDerWaalsContact O-N 3.11Å; E52-R54 VanDerWaalsContact OE2-CD 3.25Å; E52-R54 WeakPolarHBondContact OE2-CD 3.48Å; E52-R54 IonicContact OE2-CZ 2.72Å; E52-R54 IonicContact OE2-NE 3.73Å; E52-R54 PolarHBondContact OE2-NE 3.38Å; E52-R54 IonicContact OE2-NH1 3.9Å
55	F	89.9	Confident	82.4	Confident	31 Å²	31	80.8 Å²	80.8	14%	0.136	44%	0.439	C	S	.	.	G	3₁₀ helix	trans	-99.9	-1.6	179.5	-58.4	-55.2	0	0	0	112.9	S14 S15 Q16 E52 S53	S14-F55 CarbonylContact C-O 3.59Å; S14-F55 WeakPolarHBondContact CA-O 3.29Å; S14-F55 PolarHBondContact OG-O 3.11Å; S14-F55 VanDerWaalsContact OG-O 3.1Å; S15-F55 PolarHBondContact N-O 3.46Å; S15-F55 PolarHBondContact OG-O 3.24Å; Q16-F55 HydrophobicContact CG-CD1 3.55Å; Q16-F55 HydrophobicContact CG-CE1 3.76Å; Q16-F55 HydrophobicContact CG-CG 4.02Å; Q16-F55 HydrophobicContact CG-CZ 4.37Å; Q16-F55 VanDerWaalsContact OE1-CE2 3.27Å; Q16-F55 VanDerWaalsContact OE1-CZ 3.23Å; E52-F55 HydrophobicContact CB-CD2 3.73Å; E52-F55 HydrophobicContact CB-CE2 4.05Å; E52-F55 HydrophobicContact CG-CD2 4.35Å; E52-F55 HydrophobicContact CG-CE2 4.29Å; E52-F55 PolarHBondContact O-N 2.88Å; E52-F55 WeakPolarHBondContact OE2-CE2 3.21Å; S53-F55 PolarHBondContact O-N 3.03Å; S53-F55 VanDerWaalsContact O-N 3.16Å
56	I	89.2	Confident	81.6	Confident	32 Å²	32	77.4 Å²	77.4	16%	0.164	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	114.3	-177.1	-56.9	174.9	0	0	0	109.1	L12 T13 I32 V51 S53 N58 I59	L12-I56 HydrophobicContact CD1-CD1 4.36Å; L12-I56 HydrophobicContact CD2-CD1 4.4Å; L12-I56 HydrophobicContact CD2-CG2 4.37Å; T13-I56 CarbonylContact O-C 3.5Å; I32-I56 HydrophobicContact CB-CD1 4.49Å; I32-I56 HydrophobicContact CD1-CD1 3.8Å; I32-I56 HydrophobicContact CG1-CD1 4.15Å; V51-I56 HydrophobicContact CB-CD1 4.3Å; V51-I56 HydrophobicContact CB-CG1 4.36Å; V51-I56 HydrophobicContact CG1-CD1 4.02Å; V51-I56 HydrophobicContact CG1-CG1 3.54Å; S53-I56 PolarHBondContact O-N 2.94Å; S53-I56 VanDerWaalsContact O-N 3.11Å; I56-N58 WeakPolarHBondContact CG2-O 3.28Å; I56-I59 HydrophobicContact CD1-CD1 4.31Å; I56-I59 HydrophobicContact CG2-CD1 3.81Å; I56-I59 HydrophobicContact CG2-CG1 3.34Å
57	Q	88.2	Confident	80.7	Confident	137 Å²	137	81.3 Å²	81.3	64%	0.64	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86	-35.8	175.9	-66.8	176.4	-26.5	0	0	112.2	T13	T13-Q57 HydrophobicContact CG2-CB 4.38Å; T13-Q57 PolarHBondContact O-N 3.23Å
58	N	87.9	Confident	79.4	Confident	94 Å²	94	83.3 Å²	83.3	50%	0.503	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	148.4	-179.8	-166.6	7.2	0	0	0	110.3	L12 T13 I56	L12-N58 CarbonylContact C-O 3.55Å; L12-N58 WeakPolarHBondContact CA-O 3.08Å; T13-N58 PolarHBondContact N-O 2.86Å; T13-N58 PolarHBondContact O-N 2.82Å; I56-N58 WeakPolarHBondContact CG2-O 3.28Å
59	I	89.6	Confident	77.2	Confident	78 Å²	78	87.8 Å²	87.8	40%	0.4	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	124.1	173.5	-55.2	-173.8	0	0	0	107.8	E11 L12 I32 I56	E11-I59 CarbonylContact O-C 3.58Å; E11-I59 WeakPolarHBondContact O-CA 3.36Å; L12-I59 HydrophobicContact CD2-CB 4.08Å; L12-I59 HydrophobicContact CD2-CD1 3.86Å; L12-I59 HydrophobicContact CD2-CG1 3.56Å; L12-I59 HydrophobicContact CD2-CG2 3.76Å; I32-I59 HydrophobicContact CD1-CD1 3.57Å; I56-I59 HydrophobicContact CD1-CD1 4.31Å; I56-I59 HydrophobicContact CG2-CD1 3.81Å; I56-I59 HydrophobicContact CG2-CG1 3.34Å
60	R	89.4	Confident	74.8	Confident	133 Å²	133	91.3 Å²	91.3	50%	0.502	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	126.8	173.3	-167.2	-179.1	-145	-173.8	5.9	109.4	V10 E11	V10-R60 CarbonylContact C-O 3.56Å; V10-R60 WeakPolarHBondContact CA-O 3.42Å; E11-R60 HydrophobicContact CB-CB 4.22Å; E11-R60 PolarHBondContact N-O 2.84Å; E11-R60 PolarHBondContact O-N 2.98Å
61	I	89	Confident	72	Confident	93 Å²	93	94.5 Å²	94.5	48%	0.477	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	122.7	172.7	-60.9	171.2	0	0	0	107.5	F8 V10 T64	F8-I61 HydrophobicContact CD1-CD1 4.16Å; F8-I61 HydrophobicContact CD1-CG2 3.95Å; F8-I61 HydrophobicContact CE1-CD1 4.4Å; V10-I61 HydrophobicContact CG1-CG1 4.36Å; I61-T64 HydrophobicContact CG2-CG2 4.46Å
62	L	86.2	Confident	69.4	Low	75 Å²	75	97.3 Å²	97.3	39%	0.393	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	-38.2	177.5	-59.7	-176.9	0	0	0	111.8	K9 E11 V21	K9-L62 HydrophobicContact CB-CB 4.31Å; K9-L62 HydrophobicContact CD-CB 4.36Å; K9-L62 HydrophobicContact CD-CD1 4.47Å; K9-L62 HydrophobicContact CG-CB 4.18Å; K9-L62 HydrophobicContact CG-CD1 4.28Å; K9-L62 PolarHBondContact O-N 2.95Å; E11-L62 HydrophobicContact CB-CD1 4.07Å; E11-L62 HydrophobicContact CB-CD2 3.99Å; E11-L62 HydrophobicContact CB-CG 3.99Å; V21-L62 HydrophobicContact CB-CD1 4.49Å; V21-L62 HydrophobicContact CG1-CD1 3.43Å; V21-L62 VanDerWaalsContact CG1-CD1 3.43Å; V21-L62 HydrophobicContact CG2-CD1 4.32Å
63	S	84.4	Confident	66.5	Low	57 Å²	57	98.2 Å²	98.2	40%	0.399	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-156.6	153.3	171.9	65.8	0	0	0	0	110.7	F8 K9	F8-S63 CarbonylContact C-O 3.55Å; F8-S63 WeakPolarHBondContact CA-O 3.5Å; K9-S63 WeakPolarHBondContact CB-OG 3.46Å; K9-S63 PolarHBondContact N-O 3.16Å; K9-S63 PolarHBondContact O-N 3.24Å
64	T	81.9	Confident	64.2	Low	93 Å²	93	102.6 Å²	102.6	57%	0.571	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-89.8	155.5	173.4	56.7	0	0	0	0	110	F8 I61 S66	F8-T64 HydrophobicContact CD1-CG2 3.92Å; F8-T64 HydrophobicContact CE1-CG2 3.52Å; F8-T64 HydrophobicContact CZ-CG2 4.07Å; I61-T64 HydrophobicContact CG2-CG2 4.46Å; T64-S66 PolarHBondContact O-N 3.28Å; T64-S66 VanDerWaalsContact O-N 3.16Å
65	A	62.7	Low	61.5	Low	44 Å²	44	100.1 Å²	100.1	36%	0.364	58%	0.578	S	S	.	*	P	Polyproline II helix	trans	-58.4	118.7	173	0	0	0	0	0	109.6	G7 F8	G7-A65 WeakPolarHBondContact O-CA 3.24Å; G7-A65 WeakPolarHBondContact O-CB 3.36Å; G7-A65 PolarHBondContact O-N 3.42Å; F8-A65 HydrophobicContact CD2-CB 4.47Å
66	S	46.6	Very low	58.7	Low	74 Å²	74	104 Å²	104	52%	0.517	61%	0.607	S	S	.	*	P	Polyproline II helix	trans	-73	146.8	157.1	47.6	0	0	0	0	107.6	T64 D68	T64-S66 PolarHBondContact O-N 3.28Å; T64-S66 VanDerWaalsContact O-N 3.16Å; S66-D68 PolarHBondContact O-N 3.11Å
67	D	45.2	Very low	56	Low	169 Å²	169	109.2 Å²	109.2	90%	0.904	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65	14.5	179.2	-74.1	-38.5	0	0	0	113.8
68	D	40.8	Very low	53.3	Low	145 Å²	145	112.3 Å²	112.3	78%	0.775	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106	-0.6	-170.9	-63.4	-42.4	0	0	0	114.1	S66	S66-D68 PolarHBondContact O-N 3.11Å
69	E	31.7	Very low	50.5	Low	160 Å²	160	111.2 Å²	111.2	75%	0.748	66%	0.662	S	S	*	*			trans	-117	58.4	174.8	-65.2	-162.9	175.6	0	0	112.7
70	S	31.4	Very low	47.8	Very low	107 Å²	107	113 Å²	113	75%	0.748	68%	0.679	S	S	*	*			trans	-139.6	72.6	162.8	-164.1	0	0	0	0	111.1	G72	S70-G72 PolarHBondContact O-N 3.49Å
71	S	29	Very low	44.9	Very low	130 Å²	130	114.1 Å²	114.1	91%	0.909	69%	0.694	S	S	*	*			trans	-71.2	98.1	159.7	57.5	0	0	0	0	108.8
72	G	32.8	Very low	42.4	Very low	63 Å²	63	119.3 Å²	119.3	65%	0.649	71%	0.713	S	S	*	*			trans	-168.3	91.3	178.4	0	0	0	0	0	112.2	S70	S70-G72 PolarHBondContact O-N 3.49Å
73	S	28.5	Very low	39.9	Very low	105 Å²	105	121.7 Å²	121.7	73%	0.734	74%	0.737	S	S	*	*			trans	-45.6	133.4	173.3	51.4	0	0	0	0	114.3
74	D	36.8	Very low	37.8	Very low	153 Å²	153	124 Å²	124	82%	0.818	75%	0.753	S	S	*	*				172.7	108.9	121.8	-84.4	-17	0	0	0	111.5
75	T	29.4	Very low	36	Very low	130 Å²	130	125.7 Å²	125.7	80%	0.798	76%	0.758	S	S	*	*			trans	-61.1	161.3	161.3	50.1	0	0	0	0	110.7
76	P	32.4	Very low	35.4	Very low	113 Å²	113	126.4 Å²	126.4	73%	0.734	76%	0.76	S	S	*	*				-166.8	174.7	54.2	47.5	-23.7	0	0	0	121.7
77	V	32.6	Very low	36	Very low	140 Å²	140	126.7 Å²	126.7	85%	0.848	76%	0.763	S	S	*	*			trans	78.2	121.6	150.9	-159.1	0	0	0	0	123.3
78	K	30.1	Very low	36.1	Very low	203 Å²	203	122.3 Å²	122.3	88%	0.883	73%	0.733	S	S	*	*			trans	-46.6	149.2	169.5	-138.7	172.3	-173.5	174.5	0	118.7
79	G	29.3	Very low	37	Very low	71 Å²	71	119.7 Å²	119.7	73%	0.732	72%	0.717	S	S	*	*			trans	-160.3	132.1	155.7	0	0	0	0	0	112.8
80	P	33.5	Very low	38.5	Very low	115 Å²	115	118.1 Å²	118.1	75%	0.747	71%	0.709	S	S	*	*			trans	-97.9	154.9	-173.9	36.7	-31	0	0	0	114.4
81	N	29.5	Very low	39.6	Very low	156 Å²	156	117.7 Å²	117.7	83%	0.834	69%	0.691	S	S	*	*			trans	73.2	100	160.6	-61.5	-18.3	0	0	0	120.3
82	K	35.4	Very low	41.1	Very low	202 Å²	202	115.2 Å²	115.2	88%	0.878	66%	0.662	S	S	*	*			trans	-162.9	120.6	132	-108.3	169.3	-174.6	177	0	109.3	S84	K82-S84 VanDerWaalsContact C-N 3.35Å; K82-S84 PolarHBondContact O-N 2.69Å
83	S	34	Very low	42.5	Very low	126 Å²	126	118.4 Å²	118.4	88%	0.881	66%	0.66	S	S	*	*			trans	-63.9	87.2	179.2	54.3	0	0	0	0	110.9
84	S	40.6	Very low	44.2	Very low	105 Å²	105	123.1 Å²	123.1	73%	0.734	66%	0.662	S	S	*	*			trans	-78.5	125.5	164.7	55.6	0	0	0	0	107.8	K82 S86	K82-S84 VanDerWaalsContact C-N 3.35Å; K82-S84 PolarHBondContact O-N 2.69Å; S84-S86 PolarHBondContact O-N 3.4Å
85	N	43.1	Very low	45.1	Very low	129 Å²	129	120.9 Å²	120.9	69%	0.69	65%	0.649	S	S	*	*			trans	-51.1	111.1	171	-80.9	-11.6	0	0	0	107.7	S87	N85-S87 PolarHBondContact O-N 2.82Å
86	S	50.1	Low	46.6	Very low	58 Å²	58	124.2 Å²	124.2	41%	0.406	65%	0.647	S	S	.	*			trans	-54.1	139	-178.7	177	0	0	0	0	108.5	S84 R88 E89 Q90	S84-S86 PolarHBondContact O-N 3.4Å; S86-R88 CarbonylContact O-C 3.59Å; S86-R88 PolarHBondContact O-N 2.98Å; S86-R88 WeakPolarHBondContact OG-CB 3.35Å; S86-R88 PolarHBondContact OG-N 2.89Å; S86-E89 PolarHBondContact O-N 2.83Å; S86-Q90 PolarHBondContact O-N 3.4Å
87	S	58.9	Low	48	Very low	81 Å²	81	124.5 Å²	124.5	57%	0.566	64%	0.643	S	S	*	*	H	α-helix	trans	-48.5	-22.4	167	56.4	0	0	0	0	112.3	N85 R91	N85-S87 PolarHBondContact O-N 2.82Å; S87-R91 VanDerWaalsContact O-CB 3.24Å; S87-R91 WeakPolarHBondContact O-CB 3.37Å; S87-R91 PolarHBondContact O-N 3.27Å; S87-R91 VanDerWaalsContact O-N 3.16Å
88	R	48	Very low	49	Very low	76 Å²	76	121.6 Å²	121.6	29%	0.287	62%	0.621	S	S	.	*	H	α-helix	trans	-63.1	-44.7	169.3	-172	170.9	-174.5	-170.2	-1.2	113.6	S86 R92 P108 S110 P112	S86-R88 CarbonylContact O-C 3.59Å; S86-R88 PolarHBondContact O-N 2.98Å; S86-R88 WeakPolarHBondContact OG-CB 3.35Å; S86-R88 PolarHBondContact OG-N 2.89Å; R88-R92 VanDerWaalsContact O-CG 3.25Å; R88-R92 WeakPolarHBondContact O-CG 3.09Å; R88-R92 PolarHBondContact O-N 3.14Å; R88-P108 PolarHBondContact NH2-O 3.23Å; R88-S110 PolarHBondContact NH2-O 3.49Å; R88-P112 HydrophobicContact CG-CG 3.95Å
89	E	60.1	Low	49.3	Very low	91 Å²	91	117.1 Å²	117.1	43%	0.425	61%	0.613	S	S	.	*	H	α-helix	trans	-73.6	-41.6	-176.3	-145.7	62.6	-146.1	0	0	111.1	S86 R91 R92 E93	S86-E89 PolarHBondContact O-N 2.83Å; E89-R91 PolarHBondContact O-N 3.46Å; E89-R92 WeakPolarHBondContact O-CB 3.39Å; E89-R92 PolarHBondContact O-N 3.49Å; E89-R92 IonicContact OE2-NH1 3.66Å; E89-E93 PolarHBondContact O-N 2.93Å
90	Q	63.3	Low	49.9	Very low	126 Å²	126	122.2 Å²	122.2	59%	0.589	62%	0.624	S	S	*	*	H	α-helix	trans	-61.3	-42.3	172.7	-77.8	179.7	-11.3	0	0	112.1	S86 R92 E93 W94	S86-Q90 PolarHBondContact O-N 3.4Å; Q90-R92 VanDerWaalsContact C-N 3.32Å; Q90-R92 PolarHBondContact O-N 2.88Å; Q90-E93 PolarHBondContact O-N 3.06Å; Q90-W94 PolarHBondContact O-N 3.43Å
91	R	54.7	Low	50.1	Low	99 Å²	99	119 Å²	119	37%	0.374	61%	0.607	S	S	.	*	H	α-helix	trans	-68.7	-31.6	178.8	-166.7	176.9	-92.2	132	-10.1	112	S87 E89 L95	S87-R91 VanDerWaalsContact O-CB 3.24Å; S87-R91 WeakPolarHBondContact O-CB 3.37Å; S87-R91 PolarHBondContact O-N 3.27Å; S87-R91 VanDerWaalsContact O-N 3.16Å; E89-R91 PolarHBondContact O-N 3.46Å; R91-L95 HydrophobicContact CG-CD1 4.5Å; R91-L95 VanDerWaalsContact O-CG 3.24Å; R91-L95 WeakPolarHBondContact O-CG 3.49Å; R91-L95 PolarHBondContact O-N 3.13Å; R91-L95 VanDerWaalsContact O-N 3.11Å
92	R	59.7	Low	50.6	Low	78 Å²	78	115.7 Å²	115.7	29%	0.294	60%	0.595	S	S	.	*	H	α-helix	trans	-68	-42.3	173.3	-78.8	171.3	169.4	-166.8	-4.4	112.6	R88 E89 Q90 W94 L95 R96	R88-R92 VanDerWaalsContact O-CG 3.25Å; R88-R92 WeakPolarHBondContact O-CG 3.09Å; R88-R92 PolarHBondContact O-N 3.14Å; E89-R92 WeakPolarHBondContact O-CB 3.39Å; E89-R92 PolarHBondContact O-N 3.49Å; E89-R92 IonicContact OE2-NH1 3.66Å; Q90-R92 VanDerWaalsContact C-N 3.32Å; Q90-R92 PolarHBondContact O-N 2.88Å; R92-W94 VanDerWaalsContact C-N 3.34Å; R92-L95 PolarHBondContact O-N 2.9Å; R92-R96 WeakPolarHBondContact O-CG 3.15Å; R92-R96 PolarHBondContact O-N 2.76Å; R92-R96 VanDerWaalsContact O-N 3.17Å
93	E	62	Low	50.8	Low	129 Å²	129	111.5 Å²	111.5	60%	0.603	59%	0.591	S	S	*	*	H	α-helix	trans	-65.9	-38.8	176.6	-166.7	171.7	-166	0	0	111.4	E89 Q90 R96 N97	E89-E93 PolarHBondContact O-N 2.93Å; Q90-E93 PolarHBondContact O-N 3.06Å; E93-R96 PolarHBondContact O-N 3.43Å; E93-N97 PolarHBondContact O-N 2.72Å; E93-N97 PolarHBondContact O-ND2 3.33Å
94	W	63.9	Low	50.9	Low	204 Å²	204	109.1 Å²	109.1	77%	0.773	57%	0.571	S	S	*	*	H	α-helix	trans	-63.6	-43.8	175.3	-139.9	63.1	0	0	0	112.8	Q90 R92 R96 N97	Q90-W94 PolarHBondContact O-N 3.43Å; R92-W94 VanDerWaalsContact C-N 3.34Å; W94-R96 VanDerWaalsContact C-N 3.3Å; W94-R96 PolarHBondContact O-N 3.47Å; W94-N97 PolarHBondContact O-N 3.06Å
95	L	56.7	Low	50.5	Low	107 Å²	107	115.2 Å²	115.2	56%	0.56	58%	0.58	S	S	*	*	H	α-helix	trans	-67.3	-27.4	177.5	-71.6	168.9	0	0	0	113.4	R91 R92 N97 I98	R91-L95 HydrophobicContact CG-CD1 4.5Å; R91-L95 VanDerWaalsContact O-CG 3.24Å; R91-L95 WeakPolarHBondContact O-CG 3.49Å; R91-L95 PolarHBondContact O-N 3.13Å; R91-L95 VanDerWaalsContact O-N 3.11Å; R92-L95 PolarHBondContact O-N 2.9Å; L95-N97 VanDerWaalsContact C-N 3.32Å; L95-I98 HydrophobicContact CD2-CD1 4.11Å
96	R	60.5	Low	50.2	Low	199 Å²	199	113.3 Å²	113.3	75%	0.751	57%	0.572	S	S	*	*	H	α-helix	trans	-73.9	-21.3	175.2	-77	178.4	177.9	167.8	1	113.4	R92 E93 W94	R92-R96 WeakPolarHBondContact O-CG 3.15Å; R92-R96 PolarHBondContact O-N 2.76Å; R92-R96 VanDerWaalsContact O-N 3.17Å; E93-R96 PolarHBondContact O-N 3.43Å; W94-R96 VanDerWaalsContact C-N 3.3Å; W94-R96 PolarHBondContact O-N 3.47Å
97	N	61.5	Low	49.4	Very low	120 Å²	120	113.8 Å²	113.8	64%	0.642	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.8	7	-174.3	-68.5	-22.9	0	0	0	113.8	E93 W94 L95 P99	E93-N97 PolarHBondContact O-N 2.72Å; E93-N97 PolarHBondContact O-ND2 3.33Å; W94-N97 PolarHBondContact O-N 3.06Å; L95-N97 VanDerWaalsContact C-N 3.32Å; N97-P99 WeakPolarHBondContact O-CD 3.04Å
98	I	54.5	Low	48.6	Very low	78 Å²	78	114.6 Å²	114.6	40%	0.4	58%	0.578	S	S	.	*	S	Bend	trans	-80	115.6	175.5	-60.3	172.9	0	0	0	109.3	L95 N100 A101	L95-I98 HydrophobicContact CD2-CD1 4.11Å; I98-N100 PolarHBondContact O-N 2.92Å; I98-A101 HydrophobicContact CB-CB 3.7Å; I98-A101 HydrophobicContact CG2-CB 3.83Å; I98-A101 WeakPolarHBondContact O-CB 3.31Å; I98-A101 PolarHBondContact O-N 3.21Å; I98-A101 VanDerWaalsContact O-N 3.15Å
99	P	37	Very low	48.1	Very low	110 Å²	110	117.8 Å²	117.8	71%	0.714	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.8	137.4	174.7	23.5	-29.7	0	0	0	110.1	N97 A101	N97-P99 WeakPolarHBondContact O-CD 3.04Å; P99-A101 VanDerWaalsContact C-N 3.29Å; P99-A101 PolarHBondContact O-N 3.41Å
100	N	40	Very low	46.8	Very low	178 Å²	178	115.9 Å²	115.9	95%	0.952	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	69.9	4.6	-173.4	-53	-29.9	0	0	0	116.8	I98	I98-N100 PolarHBondContact O-N 2.92Å
101	A	39.1	Very low	45.3	Very low	48 Å²	48	115 Å²	115	40%	0.397	60%	0.603	S	S	.	*			trans	-80.7	127.8	172.1	0	0	0	0	0	111.9	I98 P99	I98-A101 HydrophobicContact CB-CB 3.7Å; I98-A101 HydrophobicContact CG2-CB 3.83Å; I98-A101 WeakPolarHBondContact O-CB 3.31Å; I98-A101 PolarHBondContact O-N 3.21Å; I98-A101 VanDerWaalsContact O-N 3.15Å; P99-A101 VanDerWaalsContact C-N 3.29Å; P99-A101 PolarHBondContact O-N 3.41Å
102	C	39.3	Very low	44.2	Very low	85 Å²	85	113.8 Å²	113.8	57%	0.574	61%	0.608	S	S	*	*			trans	-82.2	128.9	176.3	-126.5	0	0	0	0	111	V104	C102-V104 PolarHBondContact O-N 3.05Å; C102-V104 VanDerWaalsContact O-N 3.07Å
103	S	39.1	Very low	43.2	Very low	115 Å²	115	117.4 Å²	117.4	80%	0.804	63%	0.631	S	S	*	*			trans	-70.5	100.3	178.5	-31.2	0	0	0	0	110.3
104	V	36	Very low	41.7	Very low	75 Å²	75	115.5 Å²	115.5	46%	0.455	63%	0.625	S	S	.	*			trans	-84.7	124.5	170.3	-176.5	0	0	0	0	108.2	C102 V106	C102-V104 PolarHBondContact O-N 3.05Å; C102-V104 VanDerWaalsContact O-N 3.07Å; V104-V106 PolarHBondContact O-N 2.95Å; V104-V106 VanDerWaalsContact O-N 3.09Å
105	Y	33.3	Very low	40.1	Very low	234 Å²	234	114.1 Å²	114.1	92%	0.918	63%	0.626	S	S	*	*			trans	-55.1	114.1	170.6	-111.2	-97.6	0	0	0	109.1
106	V	36.1	Very low	39	Very low	88 Å²	88	120 Å²	120	53%	0.533	64%	0.641	S	S	.	*			trans	-90.9	119	171.6	-179.2	0	0	0	0	106.4	V104	V104-V106 PolarHBondContact O-N 2.95Å; V104-V106 VanDerWaalsContact O-N 3.09Å
107	C	33.5	Very low	37.5	Very low	69 Å²	69	116.9 Å²	116.9	47%	0.466	64%	0.644	S	S	.	*			trans	-53	133.8	172.7	-167.7	0	0	0	0	108.9	D109 S110	C107-D109 PolarHBondContact O-N 3.42Å; C107-S110 WeakPolarHBondContact CB-OG 3.45Å; C107-S110 PolarHBondContact O-N 3.37Å
108	P	41.7	Very low	36.1	Very low	98 Å²	98	117.3 Å²	117.3	64%	0.636	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.7	-25.5	-180	16.1	-28.4	0	0	0	113.3	R88	R88-P108 PolarHBondContact NH2-O 3.23Å
109	D	37.9	Very low	34.9	Very low	143 Å²	143	117.1 Å²	117.1	77%	0.765	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.6	5.9	-176.6	-53.4	-38.2	0	0	0	114.6	C107	C107-D109 PolarHBondContact O-N 3.42Å
110	S	32.3	Very low	34.5	Very low	50 Å²	50	116.7 Å²	116.7	35%	0.35	68%	0.676	S	S	.	*	P	Polyproline II helix	trans	-87.3	123.7	176.1	-55.9	0	0	0	0	112.1	R88 C107	R88-S110 PolarHBondContact NH2-O 3.49Å; C107-S110 WeakPolarHBondContact CB-OG 3.45Å; C107-S110 PolarHBondContact O-N 3.37Å
111	P	32.4	Very low	34.3	Very low	108 Å²	108	114.2 Å²	114.2	70%	0.701	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-70	139.6	173.2	26.7	-30.5	0	0	0	110.9
112	P	31.5	Very low	33.8	Very low	74 Å²	74	115.7 Å²	115.7	48%	0.481	69%	0.69	S	S	.	*	P	Polyproline II helix	trans	-87.9	127.8	-178.5	34.7	-31.2	0	0	0	111.2	R88	R88-P112 HydrophobicContact CG-CG 3.95Å
113	I	39.3	Very low	33.2	Very low	153 Å²	153	117.5 Å²	117.5	79%	0.785	70%	0.704	S	S	*	*			trans	-105.1	137.2	174.5	-62	177.8	0	0	0	110.7
114	I	30.3	Very low	32.8	Very low	90 Å²	90	115.2 Å²	115.2	46%	0.462	70%	0.699	S	S	.	*			trans	-93.2	117.7	-174.8	-51.3	-177.8	0	0	0	109.3
115	H	31.5	Very low	32.5	Very low	174 Å²	174	116.2 Å²	116.2	81%	0.806	71%	0.709	S	S	*	*			trans	-79.8	130.8	167.8	-109.7	-102.5	0	0	0	110.4
116	R	32.5	Very low	32.3	Very low	231 Å²	231	111.3 Å²	111.3	87%	0.872	70%	0.698	S	S	*	*			trans	-125.7	111.8	159.5	-74.7	-169.7	177.8	-174.7	0.5	108.5
117	T	29.8	Very low	32	Very low	133 Å²	133	113.3 Å²	113.3	82%	0.816	71%	0.705	S	S	*	*			trans	-77.4	138.5	175.5	-14.5	0	0	0	0	110
118	P	30.6	Very low	31.8	Very low	129 Å²	129	115.6 Å²	115.6	84%	0.838	71%	0.712	S	S	*	*			trans	-111.5	130.3	168.3	24.1	-7.7	0	0	0	112.9
119	G	30.1	Very low	31.3	Very low	74 Å²	74	116.8 Å²	116.8	76%	0.763	71%	0.713	S	S	*	*			trans	-156.6	106	163.9	0	0	0	0	0	111.4
120	A	29.5	Very low	30.9	Very low	101 Å²	101	117 Å²	117	84%	0.835	71%	0.713	S	S	*	*			trans	57.6	170.5	142.4	0	0	0	0	0	122.1
121	P	34.3	Very low	30.7	Very low	126 Å²	126	118.7 Å²	118.7	82%	0.818	72%	0.724	S	S	*	*				-139.7	176.8	-57.6	39.8	-23.7	0	0	0	114.3
122	G	28.6	Very low	30.5	Very low	79 Å²	79	121.1 Å²	121.1	81%	0.814	73%	0.732	S	S	*	*			trans	98.9	152.4	157.2	0	0	0	0	0	116.4
123	S	27.9	Very low	30.3	Very low	124 Å²	124	120.8 Å²	120.8	87%	0.867	74%	0.742	S	S	*	*			cis	-175.1	141.3	3.5	171.1	0	0	0	0	108.7
124	G	29.5	Very low	29.8	Very low	67 Å²	67	123.9 Å²	123.9	69%	0.691	75%	0.75	S	S	*	*			trans	74.8	153.7	147.8	0	0	0	0	0	118.1
125	S	29.7	Very low	29.8	Very low	95 Å²	95	122.9 Å²	122.9	66%	0.664	76%	0.762	S	S	*	*			cis	174.4	145.9	-3	48.3	0	0	0	0	105.2
126	N	29.6	Very low	30.2	Very low	131 Å²	131	120 Å²	120	70%	0.701	76%	0.759	S	S	*	*			trans	142.9	117.9	130.1	-76.9	-21	0	0	0	117.1
127	I	30.7	Very low	30.3	Very low	131 Å²	131	114.3 Å²	114.3	67%	0.672	75%	0.754	S	S	*	*				85	124.3	123.1	-66.1	171.5	0	0	0	114.6
128	N	29.1	Very low	30.3	Very low	117 Å²	117	113.9 Å²	113.9	63%	0.626	75%	0.747	S	S	*	*			cis	-175.2	158	13.1	-115.1	17.9	0	0	0	110.2
129	D	30	Very low	30.5	Very low	122 Å²	122	114.7 Å²	114.7	65%	0.652	74%	0.744	S	S	*	*			trans	92.2	122.3	131.3	-73.3	-19.1	0	0	0	124.1
130	I	29.5	Very low	30.8	Very low	149 Å²	149	118.2 Å²	118.2	76%	0.764	75%	0.745	S	S	*	*			trans	83.9	124.5	141.2	-59.5	156	0	0	0	115.8
131	S	28.3	Very low	31.1	Very low	84 Å²	84	120.4 Å²	120.4	59%	0.587	74%	0.738	S	S	*	*			cis	-176.7	160	-0.9	51.9	0	0	0	0	109.4
132	N	28.1	Very low	31.2	Very low	159 Å²	159	121.3 Å²	121.3	85%	0.85	74%	0.735	S	S	*	*			trans	76.9	114.4	150.2	-62.4	-14.9	0	0	0	120.1
133	G	28.2	Very low	31.5	Very low	68 Å²	68	122.9 Å²	122.9	70%	0.701	72%	0.724	S	S	*	*			trans	149.9	65.8	137.2	0	0	0	0	0	119.1
134	F	28.8	Very low	31.8	Very low	217 Å²	217	123.5 Å²	123.5	95%	0.952	72%	0.718	S	S	*	*			trans	63.3	110.2	144.8	-79	-93	0	0	0	121.9
135	G	30.5	Very low	32.1	Very low	70 Å²	70	126.3 Å²	126.3	72%	0.722	72%	0.717	S	S	*	*				119.5	140.9	115	0	0	0	0	0	117.7
136	P	38.1	Very low	32.3	Very low	113 Å²	113	125.2 Å²	125.2	73%	0.734	71%	0.714	S	S	*	*				-131.9	163	-128.2	36.7	-18.7	0	0	0	116.6
137	S	36.3	Very low	32.5	Very low	111 Å²	111	126.5 Å²	126.5	78%	0.776	72%	0.72	S	S	*	*			trans	154.1	111.2	137.6	50.1	0	0	0	0	109.7
138	N	29.8	Very low	32.7	Very low	124 Å²	124	123.5 Å²	123.5	66%	0.663	72%	0.722	S	S	*	*			cis	101.8	22	35.1	-71.3	-0.5	0	0	0	117.3
139	D	33.9	Very low	32.9	Very low	146 Å²	146	127 Å²	127	78%	0.781	73%	0.731	S	S	*	*	S	Bend	trans	-104.9	-10	173.8	-73.9	-17.3	0	0	0	115.8
140	L	35.4	Very low	32.8	Very low	148 Å²	148	126 Å²	126	78%	0.775	74%	0.739	S	S	*	*	S	Bend	trans	-93	-11.7	-177.6	-81.2	159.2	0	0	0	115.1
141	Q	36.7	Very low	32.7	Very low	148 Å²	148	123.9 Å²	123.9	69%	0.692	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	-2.4	-179.5	-72.2	-174.1	-5.5	0	0	114.3	N145	Q141-N145 PolarHBondContact O-ND2 3.43Å; Q141-N145 VanDerWaalsContact O-ND2 3.15Å
142	L	36.9	Very low	32.8	Very low	144 Å²	144	126.8 Å²	126.8	75%	0.754	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	-20.3	177	-121	90.3	0	0	0	113.6
143	L	34	Very low	32.9	Very low	112 Å²	112	129.9 Å²	129.9	59%	0.586	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	-33.7	-175.9	-76.8	161.4	0	0	0	113.4	N145 A146	L143-N145 PolarHBondContact O-N 2.82Å; L143-A146 PolarHBondContact O-N 3.18Å
144	D	34.9	Very low	33	Very low	137 Å²	137	135.1 Å²	135.1	73%	0.733	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	-15.3	176.3	-85.7	-19	0	0	0	113.7
145	N	36.6	Very low	33.1	Very low	126 Å²	126	130.7 Å²	130.7	67%	0.674	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	-8.3	175.2	-80.2	-48.1	0	0	0	113.9	Q141 L143	Q141-N145 PolarHBondContact O-ND2 3.43Å; Q141-N145 VanDerWaalsContact O-ND2 3.15Å; L143-N145 PolarHBondContact O-N 2.82Å
146	A	33.8	Very low	33.1	Very low	73 Å²	73	133.8 Å²	133.8	60%	0.603	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.3	-24.3	-179.8	0	0	0	0	0	113.4	L143	L143-A146 PolarHBondContact O-N 3.18Å
147	L	33.7	Very low	32.7	Very low	158 Å²	158	135.1 Å²	135.1	83%	0.827	75%	0.745	S	S	*	*	S	Bend	trans	-97.4	-0.2	-177	-70.5	167.3	0	0	0	114.4
148	G	34.8	Very low	32.6	Very low	68 Å²	68	137.7 Å²	137.7	70%	0.701	75%	0.749	S	S	*	*	S	Bend	trans	-93.8	8.6	177.6	0	0	0	0	0	116.2
149	K	32.9	Very low	32.7	Very low	191 Å²	191	137.3 Å²	137.3	83%	0.83	76%	0.757	S	S	*	*	S	Bend	trans	-117.8	1.3	-172.6	-77.5	-172.3	178.5	176.3	0	116.8
150	A	28	Very low	32.8	Very low	99 Å²	99	136.4 Å²	136.4	82%	0.818	76%	0.759	S	S	*	*			trans	-103.7	69	175.5	0	0	0	0	0	111.2
151	S	27.5	Very low	32.7	Very low	105 Å²	105	133.6 Å²	133.6	73%	0.734	76%	0.757	S	S	*	*			trans	-101.1	96.4	167.7	168	0	0	0	0	108.3	R153	S151-R153 PolarHBondContact O-N 3.26Å
152	I	30	Very low	32.5	Very low	146 Å²	146	138.1 Å²	138.1	75%	0.749	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-75.5	116.1	171	-60.3	176.4	0	0	0	108.2
153	R	29.5	Very low	32.3	Very low	223 Å²	223	139.8 Å²	139.8	84%	0.842	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-94.1	122.4	-173	-150.9	-179	-171.8	-175.5	1.9	108.6	S151	S151-R153 PolarHBondContact O-N 3.26Å
154	E	30.4	Very low	32.2	Very low	179 Å²	179	145.2 Å²	145.2	84%	0.836	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-62.1	132.6	164.1	-78	-172.8	154	0	0	110
155	P	30.9	Very low	32.1	Very low	123 Å²	123	141.7 Å²	141.7	80%	0.799	78%	0.779	S	S	*	*			trans	-96.8	108.2	176.4	33.5	-25.3	0	0	0	110.5
156	N	30.9	Very low	32	Very low	136 Å²	136	141.9 Å²	141.9	73%	0.727	79%	0.785	S	S	*	*			trans	-114.3	120.4	162.1	-87.8	-28.1	0	0	0	110.6
157	D	30.1	Very low	32	Very low	140 Å²	140	144.3 Å²	144.3	75%	0.749	79%	0.788	S	S	*	*			trans	56.3	137	142	-64.7	-32.8	0	0	0	122.4
158	L	34.4	Very low	32	Very low	165 Å²	165	142.7 Å²	142.7	86%	0.864	78%	0.78	S	S	*	*			trans	96	87.9	159.2	-56.7	129.6	0	0	0	118.4
159	S	31.3	Very low	32	Very low	117 Å²	117	146.2 Å²	146.2	82%	0.818	78%	0.778	S	S	*	*				20.5	160.2	126.3	-66.1	0	0	0	0	121.6
160	P	36.8	Very low	32	Very low	126 Å²	126	146.6 Å²	146.6	82%	0.818	77%	0.774	S	S	*	*			cis	-138.9	-176.9	-7.1	35.7	-14.3	0	0	0	115.8
161	A	33	Very low	32.1	Very low	90 Å²	90	150.6 Å²	150.6	74%	0.744	78%	0.775	S	S	*	*			trans	116.2	91	150.8	0	0	0	0	0	115.4
162	R	32.1	Very low	32.4	Very low	242 Å²	242	150.7 Å²	150.7	91%	0.913	78%	0.776	S	S	*	*				77.9	103.5	87.9	-83.4	-167.1	-168	-160.2	4.7	115.5
163	K	32.2	Very low	32.5	Very low	180 Å²	180	153 Å²	153	78%	0.783	78%	0.78	S	S	*	*				151.9	118.5	126.3	-83.9	172.6	-179.6	-178.5	0	104.8
164	Y	33.1	Very low	32.5	Very low	225 Å²	225	154.1 Å²	154.1	88%	0.882	79%	0.785	S	S	*	*				-155.3	148.9	68.4	-82.4	-91	0	0	0	112.9
165	G	32.5	Very low	32.5	Very low	63 Å²	63	155.8 Å²	155.8	65%	0.649	78%	0.783	S	S	*	*			trans	36.1	106.5	152.9	0	0	0	0	0	119.9
166	V	33.7	Very low	32.6	Very low	131 Å²	131	155.1 Å²	155.1	79%	0.794	78%	0.782	S	S	*	*				67.2	112.3	85.1	176.9	0	0	0	0	110
167	N	34.3	Very low	32.4	Very low	124 Å²	124	158 Å²	158	66%	0.663	78%	0.784	S	S	*	*			cis	-169	139.7	41.5	-117.7	-12.6	0	0	0	112
168	N	34.8	Very low	32.3	Very low	123 Å²	123	156 Å²	156	66%	0.658	78%	0.781	S	S	*	*				51.2	138.8	128.3	-63.6	-12.2	0	0	0	121.7
169	H	33.7	Very low	32.1	Very low	143 Å²	143	155.6 Å²	155.6	66%	0.662	78%	0.776	S	S	*	*			cis	-173.6	139.8	-4.1	-127.2	43.6	0	0	0	108.1
170	R	32	Very low	31.9	Very low	199 Å²	199	154.2 Å²	154.2	75%	0.751	77%	0.767	S	S	*	*			trans	49.7	110.8	138	-84.3	170.4	175.3	-162.6	-0.6	120.3
171	H	31.7	Very low	31.6	Very low	183 Å²	183	156.7 Å²	156.7	85%	0.847	77%	0.767	S	S	*	*				71	117.4	87.2	-79.9	-77.2	0	0	0	114.8
172	S	33.5	Very low	31.5	Very low	106 Å²	106	158.6 Å²	158.6	74%	0.741	77%	0.77	S	S	*	*				172.5	127.1	109.3	-166.3	0	0	0	0	112.7
173	K	31.2	Very low	31.3	Very low	195 Å²	195	152.2 Å²	152.2	85%	0.848	77%	0.769	S	S	*	*			trans	13.1	122.9	148.6	-61.4	174.5	178.5	176.8	0	118.4
174	R	30.5	Very low	31.3	Very low	246 Å²	246	147 Å²	147	93%	0.928	77%	0.766	S	S	*	*			trans	-166.2	138.2	131.4	-123.9	170.1	150.9	-149.5	-6.5	113.5
175	R	29.6	Very low	31.2	Very low	215 Å²	215	140.8 Å²	140.8	81%	0.811	76%	0.761	S	S	*	*			trans	-91.8	131.3	177.1	-162.5	-172.4	-141.4	-117.6	6.9	108
176	S	33.9	Very low	31.3	Very low	109 Å²	109	143.8 Å²	143.8	76%	0.762	77%	0.767	S	S	*	*			trans	-170.7	147.8	156.9	27.3	0	0	0	0	113
177	Y	26.8	Very low	31.4	Very low	196 Å²	196	142 Å²	142	77%	0.769	76%	0.761	S	S	*	*			trans	-73.2	164.6	-169.5	-66.9	-102.9	0	0	0	115.8
178	S	28.3	Very low	31.5	Very low	99 Å²	99	142.9 Å²	142.9	69%	0.692	77%	0.765	S	S	*	*				94.9	137.4	128.6	-112.9	0	0	0	0	122.1
179	M	28.4	Very low	31.4	Very low	156 Å²	156	144.5 Å²	144.5	77%	0.768	77%	0.772	S	S	*	*			trans	75.1	104.8	148.3	-57.3	-90.3	78.5	0	0	116.3
180	S	28.8	Very low	31.4	Very low	88 Å²	88	143.1 Å²	143.1	62%	0.615	78%	0.779	S	S	*	*				66.6	119.5	79.6	66.9	0	0	0	0	114.6
181	E	30.2	Very low	31.2	Very low	178 Å²	178	137.7 Å²	137.7	83%	0.832	79%	0.785	S	S	*	*			trans	155.3	102.8	146.4	-91.6	-179.3	153.1	0	0	108.3
182	T	29.6	Very low	31.4	Very low	129 Å²	129	133.7 Å²	133.7	79%	0.791	78%	0.783	S	S	*	*				71.9	125.1	89.3	54.8	0	0	0	0	116.6
183	A	29.2	Very low	31.2	Very low	109 Å²	109	138.3 Å²	138.3	90%	0.901	79%	0.793	S	S	*	*			trans	98.5	130.4	138.3	0	0	0	0	0	120.3
184	G	32.1	Very low	31	Very low	70 Å²	70	134.3 Å²	134.3	72%	0.722	79%	0.79	S	S	*	*			trans	123.9	81.9	166.1	0	0	0	0	0	112.2
185	A	30.3	Very low	31	Very low	95 Å²	95	129 Å²	129	79%	0.785	78%	0.78	S	S	*	*				55.1	120.6	82.3	0	0	0	0	0	111.1
186	T	35.1	Very low	31	Very low	126 Å²	126	123.7 Å²	123.7	77%	0.773	78%	0.776	S	S	*	*			cis	-171.4	154.6	47.9	45	0	0	0	0	112.1
187	S	36.5	Very low	30.9	Very low	94 Å²	94	127.5 Å²	127.5	66%	0.657	78%	0.779	S	S	*	*			trans	61.3	141	144.8	62.4	0	0	0	0	121
188	D	34.8	Very low	31	Very low	142 Å²	142	126.1 Å²	126.1	76%	0.759	78%	0.779	S	S	*	*			cis	-174	150.6	-6.9	-95.9	-33.1	0	0	0	107.7
189	I	33.4	Very low	31	Very low	156 Å²	156	130 Å²	130	80%	0.8	78%	0.778	S	S	*	*			trans	72.6	123.6	152.7	-69.4	159	0	0	0	116.4
190	S	33.2	Very low	31.1	Very low	114 Å²	114	131.1 Å²	131.1	80%	0.797	78%	0.775	S	S	*	*			cis	-170.6	139.4	40.8	29.4	0	0	0	0	113.4
191	G	29	Very low	31.2	Very low	85 Å²	85	132.4 Å²	132.4	88%	0.876	78%	0.78	S	S	*	*			trans	66.5	101.5	130.9	0	0	0	0	0	122.4
192	A	34.3	Very low	31.3	Very low	99 Å²	99	131 Å²	131	82%	0.818	78%	0.778	S	S	*	*			trans	-170.2	131	134.4	0	0	0	0	0	110
193	E	29.7	Very low	31.4	Very low	203 Å²	203	129.5 Å²	129.5	95%	0.949	77%	0.773	S	S	*	*			trans	-82.8	116.3	-168.2	-55.9	172.7	-167.8	0	0	110.5
194	S	28.4	Very low	31.4	Very low	112 Å²	112	127.8 Å²	127.8	78%	0.783	77%	0.766	S	S	*	*			trans	-128	113.7	166.1	-63.4	0	0	0	0	105.7
195	D	30.4	Very low	31.6	Very low	134 Å²	134	130.4 Å²	130.4	72%	0.717	77%	0.773	S	S	*	*			trans	-110.9	99.4	177	-152	-9	0	0	0	111.9	F197	D195-F197 WeakPolarHBondContact OD1-CD2 3.15Å; D195-F197 WeakPolarHBondContact OD1-CE2 3.38Å
196	S	28.9	Very low	31.5	Very low	103 Å²	103	137.3 Å²	137.3	72%	0.72	78%	0.779	S	S	*	*			trans	-117.8	122.4	165.3	60.7	0	0	0	0	106.6
197	F	31.2	Very low	31.4	Very low	190 Å²	190	134.6 Å²	134.6	83%	0.833	78%	0.776	S	S	*	*			trans	-122.1	106.8	169.2	-81.4	-62.2	0	0	0	112.5	D195	D195-F197 WeakPolarHBondContact OD1-CD2 3.15Å; D195-F197 WeakPolarHBondContact OD1-CE2 3.38Å
198	H	29.5	Very low	31.3	Very low	166 Å²	166	137.2 Å²	137.2	77%	0.769	78%	0.778	S	S	*	*			trans	-107.4	134.1	159.8	-115	-39.6	0	0	0	109.3
199	R	29.1	Very low	30.9	Very low	180 Å²	180	138.3 Å²	138.3	68%	0.679	78%	0.776	S	S	*	*			trans	63.9	131.6	151.8	-53.9	-175.8	-170.6	-163.7	3.9	120.5
200	Y	30.1	Very low	30.7	Very low	180 Å²	180	138.8 Å²	138.8	71%	0.706	78%	0.781	S	S	*	*				169.4	135.6	92.5	-98.8	-76.2	0	0	0	113.5
201	T	31.3	Very low	30.4	Very low	116 Å²	116	139 Å²	139	71%	0.712	78%	0.781	S	S	*	*			trans	28.2	139.7	141.5	57.1	0	0	0	0	123
202	N	30.4	Very low	30.7	Very low	148 Å²	148	138.9 Å²	138.9	79%	0.791	78%	0.78	S	S	*	*				-179.6	143.3	91.4	-145.5	1.8	0	0	0	115.9
203	S	33.2	Very low	30.4	Very low	97 Å²	97	137.9 Å²	137.9	68%	0.678	78%	0.779	S	S	*	*			trans	39	115.5	144.3	63.2	0	0	0	0	125
204	G	28.4	Very low	30.7	Very low	74 Å²	74	134.3 Å²	134.3	76%	0.763	78%	0.776	S	S	*	*				97.8	130.1	105.3	0	0	0	0	0	121.4
205	S	36.1	Very low	30.9	Very low	125 Å²	125	131.7 Å²	131.7	87%	0.874	77%	0.767	S	S	*	*			trans	-164.7	97.4	137.1	-79.9	0	0	0	0	112.8
206	R	29.5	Very low	30.9	Very low	239 Å²	239	133.3 Å²	133.3	90%	0.902	77%	0.774	S	S	*	*				23.2	125.5	126	-152.7	170.6	173.5	169.9	-3.4	120.2
207	G	32.4	Very low	30.9	Very low	70 Å²	70	132.1 Å²	132.1	72%	0.722	77%	0.77	S	S	*	*			trans	173.4	88.7	156.1	0	0	0	0	0	110.4
208	Q	33.3	Very low	31.1	Very low	148 Å²	148	129.2 Å²	129.2	69%	0.692	76%	0.764	S	S	*	*				91.9	114.1	80.5	-91.2	-169.1	-11.5	0	0	114.8
209	F	26.6	Very low	31.1	Very low	165 Å²	165	131.3 Å²	131.3	72%	0.724	77%	0.765	S	S	*	*			trans	63.1	115.2	150.4	-55.4	-68.8	0	0	0	121.6
210	N	30.7	Very low	31.4	Very low	167 Å²	167	131.4 Å²	131.4	89%	0.893	77%	0.772	S	S	*	*				-159.8	142.7	105.5	-123	10.9	0	0	0	113.5
211	C	26.9	Very low	31.6	Very low	119 Å²	119	126 Å²	126	80%	0.804	76%	0.764	S	S	*	*			trans	-93.3	158.7	-169.7	-58.4	0	0	0	0	113.4
212	G	33.9	Very low	32.1	Very low	82 Å²	82	128.5 Å²	128.5	85%	0.845	77%	0.768	S	S	*	*			trans	137.7	116.1	163.1	0	0	0	0	0	110.8
213	G	28.7	Very low	32.4	Very low	78 Å²	78	126.5 Å²	126.5	80%	0.804	76%	0.758	S	S	*	*			cis	126.5	134.6	19.8	0	0	0	0	0	108.7
214	S	34.8	Very low	32.6	Very low	127 Å²	127	132.8 Å²	132.8	89%	0.888	77%	0.766	S	S	*	*			trans	96.3	112	176.2	-149	0	0	0	0	114.8
215	G	32.9	Very low	32.8	Very low	57 Å²	57	132.3 Å²	132.3	59%	0.588	76%	0.762	S	S	*	*			cis	103.5	87.1	33	0	0	0	0	0	108.5
216	I	30	Very low	33	Very low	169 Å²	169	135.9 Å²	135.9	87%	0.867	76%	0.764	S	S	*	*				75.5	119.1	104.9	-63.9	168.5	0	0	0	115.4
217	A	30.9	Very low	33.3	Very low	78 Å²	78	130 Å²	130	65%	0.645	76%	0.757	S	S	*	*			trans	84	142.3	143	0	0	0	0	0	123.1
218	N	35.1	Very low	33.5	Very low	129 Å²	129	137.3 Å²	137.3	69%	0.69	76%	0.763	S	S	*	*			trans	105.2	101.3	144.5	-74.3	-23.7	0	0	0	119.9
219	R	29.7	Very low	33.7	Very low	210 Å²	210	136 Å²	136	79%	0.792	76%	0.761	S	S	*	*				56	141.9	113.8	-64.2	-177.1	-161	-155	1.4	120
220	H	33.5	Very low	34.2	Very low	182 Å²	182	134.5 Å²	134.5	84%	0.843	76%	0.76	S	S	*	*			trans	83	140.7	161.3	-69.5	-48.1	0	0	0	116.2
221	A	35	Very low	34.4	Very low	65 Å²	65	132.1 Å²	132.1	54%	0.537	75%	0.747	S	S	.	*			cis	-177.9	156.7	-11.1	0	0	0	0	0	106.5
222	Q	41.4	Very low	34.9	Very low	169 Å²	169	132.9 Å²	132.9	79%	0.79	74%	0.743	S	S	*	*			trans	72.9	135.4	149.4	-73.4	173.6	16.8	0	0	116.9
223	N	36.9	Very low	35.2	Very low	107 Å²	107	136.1 Å²	136.1	57%	0.572	74%	0.742	S	S	*	*			cis	-165.4	144.4	31.9	-104.5	-39.6	0	0	0	111.9
224	R	37.7	Very low	35.5	Very low	228 Å²	228	136.7 Å²	136.7	86%	0.86	73%	0.733	S	S	*	*			trans	58.8	126.3	137.9	-59.2	170.6	-175	-177.2	-2.5	118.9
225	G	32.5	Very low	35.6	Very low	65 Å²	65	139.6 Å²	139.6	67%	0.67	73%	0.732	S	S	*	*			cis	120.2	114.7	16.8	0	0	0	0	0	110.1
226	H	39.6	Very low	35.7	Very low	200 Å²	200	143.7 Å²	143.7	93%	0.926	74%	0.741	S	S	*	*			trans	-175.8	117.7	148.2	-93.9	-60	0	0	0	111.2
227	P	36.2	Very low	36.1	Very low	115 Å²	115	143.5 Å²	143.5	75%	0.747	74%	0.736	S	S	*	*			trans	-108.8	150.7	158.7	35.6	-24.9	0	0	0	110.6
228	R	37.8	Very low	36.2	Very low	224 Å²	224	150.8 Å²	150.8	85%	0.845	75%	0.746	S	S	*	*			trans	172.1	124.2	141.4	-98.3	-172.8	169.1	150.2	-1.1	112.7
229	D	37.4	Very low	36.1	Very low	121 Å²	121	150.2 Å²	150.2	65%	0.647	75%	0.753	S	S	*	*				67.9	120.8	127.9	-51	-16.9	0	0	0	122.4
230	N	35.5	Very low	36.2	Very low	133 Å²	133	143.8 Å²	143.8	71%	0.711	75%	0.751	S	S	*	*				111.3	120	119.8	-91.4	-7.5	0	0	0	121.1
231	N	36.7	Very low	36.2	Very low	116 Å²	116	138.4 Å²	138.4	62%	0.62	75%	0.745	S	S	*	*			trans	95.8	101.8	131.3	-71.5	-15.4	0	0	0	121.1
232	N	36.7	Very low	36	Very low	135 Å²	135	142.6 Å²	142.6	72%	0.722	76%	0.759	S	S	*	*				62.6	109.5	114.6	-59.9	-17.2	0	0	0	120
233	N	39.3	Very low	35.6	Very low	151 Å²	151	141.1 Å²	141.1	81%	0.807	76%	0.761	S	S	*	*				-172.3	99.3	117.7	-92.5	-22.3	0	0	0	107.9
234	S	36.3	Very low	35.3	Very low	90 Å²	90	139.2 Å²	139.2	63%	0.629	77%	0.767	S	S	*	*				54.6	97.4	84.6	90.9	0	0	0	0	113.9
235	H	37.3	Very low	35	Very low	188 Å²	188	135.8 Å²	135.8	87%	0.87	77%	0.765	S	S	*	*				-164	113.9	123.2	-105.3	52.8	0	0	0	110.2
236	N	35.3	Very low	34.9	Very low	142 Å²	142	140.1 Å²	140.1	76%	0.759	77%	0.773	S	S	*	*			trans	-77.3	146.6	176.6	-71.2	-50.7	0	0	0	110.7
237	H	38.2	Very low	34.4	Very low	165 Å²	165	134.7 Å²	134.7	76%	0.764	77%	0.771	S	S	*	*				-166.2	103.1	121.9	-86	-54.9	0	0	0	106.9
238	R	33.2	Very low	34	Very low	231 Å²	231	133 Å²	133	87%	0.872	77%	0.774	S	S	*	*				67.4	127.9	98.7	-83.8	-173.4	171.5	-176.1	-3.7	112.3
239	S	32.5	Very low	33.4	Very low	118 Å²	118	126 Å²	126	83%	0.825	77%	0.771	S	S	*	*			cis	-177.7	143.3	9.1	-174.3	0	0	0	0	110.3
240	G	32.2	Very low	33	Very low	74 Å²	74	126 Å²	126	76%	0.763	78%	0.781	S	S	*	*			trans	86.1	113.5	151	0	0	0	0	0	116.9
241	G	31.9	Very low	32.7	Very low	69 Å²	69	125.6 Å²	125.6	71%	0.711	79%	0.789	S	S	*	*			cis	86	113.2	35.4	0	0	0	0	0	108.7
242	N	32	Very low	32.3	Very low	154 Å²	154	123.2 Å²	123.2	82%	0.824	79%	0.792	S	S	*	*				-161.4	133.7	56.8	-77.1	-18.3	0	0	0	108.5
243	T	31.7	Very low	32	Very low	137 Å²	137	126.2 Å²	126.2	84%	0.84	80%	0.801	S	S	*	*				55.1	120.1	69.3	65.7	0	0	0	0	117
244	G	31.8	Very low	31.8	Very low	67 Å²	67	130.9 Å²	130.9	69%	0.691	81%	0.808	S	S	*	*			trans	157.8	72.6	165.2	0	0	0	0	0	113.9
245	L	31.9	Very low	31.6	Very low	156 Å²	156	134.1 Å²	134.1	82%	0.817	82%	0.818	S	S	*	*				86.5	112	93.7	-71.8	173.2	0	0	0	117
246	N	28.8	Very low	31.7	Very low	157 Å²	157	132 Å²	132	84%	0.84	81%	0.812	S	S	*	*			trans	71.8	128.6	132.2	-74	-6.4	0	0	0	124.9
247	G	29	Very low	32	Very low	85 Å²	85	127.6 Å²	127.6	88%	0.876	80%	0.796	S	S	*	*			trans	112.3	127	147.7	0	0	0	0	0	113.5
248	G	28.3	Very low	32.4	Very low	79 Å²	79	125.4 Å²	125.4	81%	0.814	79%	0.79	S	S	*	*			cis	-176.8	158.9	7.8	0	0	0	0	0	107.2
249	G	25.9	Very low	32.9	Very low	77 Å²	77	122.6 Å²	122.6	79%	0.794	78%	0.779	S	S	*	*			trans	-71	153.8	-162.1	0	0	0	0	0	117.8
250	S	29.3	Very low	33.5	Very low	122 Å²	122	122.1 Å²	122.1	85%	0.853	77%	0.767	S	S	*	*			trans	-163	136.3	139.1	-101.5	0	0	0	0	110.9
251	S	28.5	Very low	34	Very low	124 Å²	124	127.1 Å²	127.1	87%	0.867	76%	0.763	S	S	*	*			trans	-47.9	132.2	172.9	47.7	0	0	0	0	113.9
252	G	29.1	Very low	34.4	Very low	67 Å²	67	127.4 Å²	127.4	69%	0.691	75%	0.748	S	S	*	*			trans	176.7	116	168.4	0	0	0	0	0	113.8
253	Q	30.5	Very low	34.5	Very low	197 Å²	197	122.9 Å²	122.9	92%	0.921	73%	0.727	S	S	*	*			trans	37	99.7	152.4	-66	-178.5	-51	0	0	118.3	N255	Q253-N255 PolarHBondContact O-N 3.4Å
254	R	33.6	Very low	35.1	Very low	250 Å²	250	122.5 Å²	122.5	94%	0.943	73%	0.725	S	S	*	*			trans	-77.8	104.5	171.4	-59	-176	-156.4	-177.7	6.6	110.8
255	N	33.6	Very low	35.7	Very low	158 Å²	158	126.5 Å²	126.5	85%	0.845	73%	0.725	S	S	*	*			trans	38.8	90.6	144.7	-65	-17.3	0	0	0	118.9	Q253	Q253-N255 PolarHBondContact O-N 3.4Å
256	L	38.9	Very low	36.2	Very low	143 Å²	143	125.9 Å²	125.9	75%	0.749	72%	0.718	S	S	*	*			trans	-56.7	138.9	142.8	-120.1	68.6	0	0	0	108.3	D258	L256-D258 PolarHBondContact O-N 3.13Å
257	A	42	Very low	36.9	Very low	50 Å²	50	125.7 Å²	125.7	41%	0.413	71%	0.71	S	S	.	*			trans	-64.1	133.7	-177.1	0	0	0	0	0	111.1	W259 D260	A257-W259 PolarHBondContact O-N 2.96Å; A257-D260 PolarHBondContact O-N 3.08Å; A257-D260 VanDerWaalsContact O-N 3.15Å
258	D	46.3	Very low	37.4	Very low	119 Å²	119	127.4 Å²	127.4	64%	0.636	70%	0.698	S	S	*	*	G	3₁₀ helix	trans	-56.8	2.4	-179.2	-80.3	-39.9	0	0	0	115.8	L256	L256-D258 PolarHBondContact O-N 3.13Å
259	W	44.1	Very low	38.3	Very low	171 Å²	171	129.2 Å²	129.2	65%	0.648	69%	0.689	S	S	*	*	G	3₁₀ helix	trans	-80.2	-23.4	172.5	-61.6	93.5	0	0	0	112.9	A257 R261 I262 I498	A257-W259 PolarHBondContact O-N 2.96Å; W259-R261 PolarHBondContact O-N 3.18Å; W259-I262 HydrophobicContact CD2-CD1 4.48Å; W259-I262 HydrophobicContact CE3-CD1 3.51Å; W259-I262 HydrophobicContact CZ3-CD1 3.85Å; W259-I262 PolarHBondContact O-N 2.87Å; W259-I498 VanDerWaalsContact NE1-CG2 3.32Å
260	D	44.3	Very low	39.4	Very low	108 Å²	108	134.5 Å²	134.5	58%	0.578	69%	0.693	S	S	*	*	G	3₁₀ helix	trans	-79.1	0.7	173.3	-70.6	-22.3	0	0	0	112.1	A257	A257-D260 PolarHBondContact O-N 3.08Å; A257-D260 VanDerWaalsContact O-N 3.15Å
261	R	41.8	Very low	40.7	Very low	180 Å²	180	135 Å²	135	68%	0.679	69%	0.686	S	S	*	*	G	3₁₀ helix	trans	-106.3	-1	173.2	-76.4	-174.2	173.9	-173.4	-2.7	113.9	W259 C263	W259-R261 PolarHBondContact O-N 3.18Å; R261-C263 PolarHBondContact O-N 2.7Å
262	I	41.8	Very low	42	Very low	75 Å²	75	134 Å²	134	39%	0.385	67%	0.667	S	S	.	*			trans	-73.1	81.8	165.7	-60	174.8	0	0	0	106.4	W259 V264 F267	W259-I262 HydrophobicContact CD2-CD1 4.48Å; W259-I262 HydrophobicContact CE3-CD1 3.51Å; W259-I262 HydrophobicContact CZ3-CD1 3.85Å; W259-I262 PolarHBondContact O-N 2.87Å; I262-V264 PolarHBondContact O-N 2.83Å; I262-F267 HydrophobicContact CG2-CD2 3.96Å; I262-F267 HydrophobicContact CG2-CE2 3.6Å
263	C	33.8	Very low	43.7	Very low	58 Å²	58	135.4 Å²	135.4	39%	0.392	66%	0.658	S	S	.	*			trans	-63	132.5	159.3	-68	0	0	0	0	106	R261 E265 E266	R261-C263 PolarHBondContact O-N 2.7Å; C263-E265 HydrophobicContact CB-CB 3.95Å; C263-E265 PolarHBondContact O-N 3.17Å; C263-E266 PolarHBondContact O-N 3.03Å
264	V	44.2	Very low	45	Very low	130 Å²	130	133.8 Å²	133.8	79%	0.788	65%	0.648	S	S	*	*	G	3₁₀ helix	trans	-55.5	-17.5	168.9	179	0	0	0	0	110.7	I262 E266 F267	I262-V264 PolarHBondContact O-N 2.83Å; V264-E266 VanDerWaalsContact C-N 3.33Å; V264-E266 PolarHBondContact O-N 2.8Å; V264-F267 PolarHBondContact O-N 2.81Å
265	E	45	Very low	46.7	Very low	151 Å²	151	129.4 Å²	129.4	71%	0.706	64%	0.638	S	S	*	*	G	3₁₀ helix	trans	-68.3	-18.6	171	-62.3	158.1	171.9	0	0	114.6	C263 F267	C263-E265 HydrophobicContact CB-CB 3.95Å; C263-E265 PolarHBondContact O-N 3.17Å; E265-F267 VanDerWaalsContact C-N 3.35Å
266	E	41.1	Very low	48.4	Very low	142 Å²	142	123 Å²	123	66%	0.664	61%	0.609	S	S	*	*	G	3₁₀ helix	trans	-87.3	-3.5	176.1	-70.9	-173.4	167.2	0	0	113.2	C263 V264	C263-E266 PolarHBondContact O-N 3.03Å; V264-E266 VanDerWaalsContact C-N 3.33Å; V264-E266 PolarHBondContact O-N 2.8Å
267	F	43.1	Very low	49.7	Very low	154 Å²	154	120.1 Å²	120.1	68%	0.675	60%	0.595	S	S	*	*	G	3₁₀ helix	trans	-119.7	31.9	174.7	-71.2	-81.8	0	0	0	112	I262 V264 E265 D269	I262-F267 HydrophobicContact CG2-CD2 3.96Å; I262-F267 HydrophobicContact CG2-CE2 3.6Å; V264-F267 PolarHBondContact O-N 2.81Å; E265-F267 VanDerWaalsContact C-N 3.35Å; F267-D269 VanDerWaalsContact C-N 3.33Å; F267-D269 PolarHBondContact O-N 2.86Å
268	I	39.8	Very low	51.1	Low	120 Å²	120	123.8 Å²	123.8	62%	0.615	61%	0.607	S	S	*	*			trans	-67.2	104	164.4	-57.4	170	0	0	0	105.1	E270	I268-E270 VanDerWaalsContact C-N 3.26Å; I268-E270 PolarHBondContact O-N 2.94Å
269	D	47.5	Very low	52.2	Low	118 Å²	118	122.2 Å²	122.2	63%	0.631	61%	0.61	S	S	*	*			trans	-53	102	158.3	-97.2	-26.8	0	0	0	105.3	F267 D271 F272	F267-D269 VanDerWaalsContact C-N 3.33Å; F267-D269 PolarHBondContact O-N 2.86Å; D269-D271 PolarHBondContact O-N 3.35Å; D269-F272 HydrophobicContact CB-CB 3.79Å; D269-F272 PolarHBondContact O-N 2.83Å
270	E	49.9	Very low	53.4	Low	188 Å²	188	120.4 Å²	120.4	88%	0.879	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.4	-9	175.6	-67	-172.4	171.6	0	0	111.5	I268	I268-E270 VanDerWaalsContact C-N 3.26Å; I268-E270 PolarHBondContact O-N 2.94Å
271	D	56.4	Low	54.3	Low	132 Å²	132	120.9 Å²	120.9	71%	0.706	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.2	-4.8	179.1	-61.2	-30.2	0	0	0	114.3	D269 D273	D269-D271 PolarHBondContact O-N 3.35Å; D271-D273 PolarHBondContact O-N 3.33Å
272	F	54.8	Low	55.9	Low	104 Å²	104	116.6 Å²	116.6	46%	0.456	60%	0.601	S	S	.	*			trans	-87.8	93.3	178.4	-167.3	-91.7	0	0	0	111.3	D269 F274	D269-F272 HydrophobicContact CB-CB 3.79Å; D269-F272 PolarHBondContact O-N 2.83Å; F272-F274 AromaticContact CD1-CD2 3.39Å; F272-F274 HydrophobicContact CD1-CD2 3.39Å; F272-F274 AromaticContact CD1-CE2 3.57Å; F272-F274 HydrophobicContact CD1-CE2 3.57Å; F272-F274 HydrophobicContact CD1-CG 4.06Å; F272-F274 HydrophobicContact CD1-CZ 4.38Å; F272-F274 HydrophobicContact CE1-CD1 4.16Å; F272-F274 AromaticContact CE1-CD2 3.48Å; F272-F274 HydrophobicContact CE1-CD2 3.48Å; F272-F274 VanDerWaalsContact CE1-CD2 3.48Å; F272-F274 HydrophobicContact CE1-CE1 4.17Å; F272-F274 AromaticContact CE1-CE2 3.46Å; F272-F274 HydrophobicContact CE1-CE2 3.46Å; F272-F274 VanDerWaalsContact CE1-CE2 3.46Å; F272-F274 AromaticContact CE1-CG 3.83Å; F272-F274 HydrophobicContact CE1-CG 3.83Å; F272-F274 AromaticContact CE1-CZ 3.82Å; F272-F274 HydrophobicContact CE1-CZ 3.82Å; F272-F274 PolarHBondContact O-N 2.92Å
273	D	65.6	Low	57.4	Low	96 Å²	96	117.1 Å²	117.1	51%	0.513	60%	0.6	S	S	.	*			trans	-75	87.8	176.9	-172.5	3.3	0	0	0	111.4	D271 E275 G276 N277	D271-D273 PolarHBondContact O-N 3.33Å; D273-E275 PolarHBondContact O-N 3.39Å; D273-E275 WeakPolarHBondContact OD1-CB 3.33Å; D273-E275 PolarHBondContact OD1-N 3.47Å; D273-G276 VanDerWaalsContact CG-N 3.26Å; D273-G276 PolarHBondContact O-N 3.29Å; D273-G276 PolarHBondContact OD1-N 3.41Å; D273-G276 WeakPolarHBondContact OD2-CA 3.4Å; D273-G276 PolarHBondContact OD2-N 2.98Å; D273-N277 WeakPolarHBondContact O-CB 3.36Å; D273-N277 PolarHBondContact O-N 3.38Å; D273-N277 PolarHBondContact O-ND2 2.9Å
274	F	57.4	Low	59.2	Low	162 Å²	162	118.3 Å²	118.3	71%	0.711	61%	0.609	S	S	*	*	H	α-helix	trans	-55.7	-39.6	174.3	-106.5	-81	0	0	0	112.2	F272 L278	F272-F274 AromaticContact CD1-CD2 3.39Å; F272-F274 HydrophobicContact CD1-CD2 3.39Å; F272-F274 AromaticContact CD1-CE2 3.57Å; F272-F274 HydrophobicContact CD1-CE2 3.57Å; F272-F274 HydrophobicContact CD1-CG 4.06Å; F272-F274 HydrophobicContact CD1-CZ 4.38Å; F272-F274 HydrophobicContact CE1-CD1 4.16Å; F272-F274 AromaticContact CE1-CD2 3.48Å; F272-F274 HydrophobicContact CE1-CD2 3.48Å; F272-F274 VanDerWaalsContact CE1-CD2 3.48Å; F272-F274 HydrophobicContact CE1-CE1 4.17Å; F272-F274 AromaticContact CE1-CE2 3.46Å; F272-F274 HydrophobicContact CE1-CE2 3.46Å; F272-F274 VanDerWaalsContact CE1-CE2 3.46Å; F272-F274 AromaticContact CE1-CG 3.83Å; F272-F274 HydrophobicContact CE1-CG 3.83Å; F272-F274 AromaticContact CE1-CZ 3.82Å; F272-F274 HydrophobicContact CE1-CZ 3.82Å; F272-F274 PolarHBondContact O-N 2.92Å; F274-L278 VanDerWaalsContact O-CB 3.27Å; F274-L278 WeakPolarHBondContact O-CB 3.47Å; F274-L278 PolarHBondContact O-N 2.89Å
275	E	68.8	Low	60.4	Low	158 Å²	158	114.2 Å²	114.2	74%	0.738	59%	0.589	S	S	*	*	H	α-helix	trans	-69.8	-43.3	-177.8	-160.4	91.3	-160.1	0	0	110.3	D273 L278 A279	D273-E275 PolarHBondContact O-N 3.39Å; D273-E275 WeakPolarHBondContact OD1-CB 3.33Å; D273-E275 PolarHBondContact OD1-N 3.47Å; E275-L278 PolarHBondContact O-N 3.18Å; E275-A279 WeakPolarHBondContact O-CB 3.22Å; E275-A279 PolarHBondContact O-N 3.12Å
276	G	70.5	Confident	61.5	Low	23 Å²	23	111.5 Å²	111.5	24%	0.237	58%	0.575	C	S	.	*	H	α-helix	trans	-64.2	-41.7	175.3	0	0	0	0	0	113.2	D273 A279 L280	D273-G276 VanDerWaalsContact CG-N 3.26Å; D273-G276 PolarHBondContact O-N 3.29Å; D273-G276 PolarHBondContact OD1-N 3.41Å; D273-G276 WeakPolarHBondContact OD2-CA 3.4Å; D273-G276 PolarHBondContact OD2-N 2.98Å; G276-A279 PolarHBondContact O-N 3.4Å; G276-L280 WeakPolarHBondContact O-CG 3.38Å; G276-L280 PolarHBondContact O-N 3.22Å
277	N	64.8	Low	62.9	Low	83 Å²	83	110.5 Å²	110.5	44%	0.444	57%	0.566	S	S	.	*	H	α-helix	trans	-69.7	-34.6	176.2	-76	-39	0	0	0	112.5	D273 L280	D273-N277 WeakPolarHBondContact O-CB 3.36Å; D273-N277 PolarHBondContact O-N 3.38Å; D273-N277 PolarHBondContact O-ND2 2.9Å; N277-L280 PolarHBondContact O-N 3.16Å
278	L	72.6	Confident	64.2	Low	127 Å²	127	109.9 Å²	109.9	67%	0.665	57%	0.565	S	S	*	*	H	α-helix	trans	-72.3	-33.4	175	-164	70.2	0	0	0	111.9	F274 E275 L280 F281	F274-L278 VanDerWaalsContact O-CB 3.27Å; F274-L278 WeakPolarHBondContact O-CB 3.47Å; F274-L278 PolarHBondContact O-N 2.89Å; E275-L278 PolarHBondContact O-N 3.18Å; L278-L280 VanDerWaalsContact C-N 3.25Å; L278-L280 PolarHBondContact O-N 2.93Å; L278-F281 VanDerWaalsContact O-CB 3.27Å; L278-F281 WeakPolarHBondContact O-CB 3.3Å; L278-F281 PolarHBondContact O-N 3Å; L278-F281 VanDerWaalsContact O-N 3.09Å
279	A	68.3	Low	65.8	Low	86 Å²	86	108.6 Å²	108.6	71%	0.711	56%	0.558	S	S	*	*	H	α-helix	trans	-67.3	-24.2	174.7	0	0	0	0	0	113.4	E275 G276 F281	E275-A279 WeakPolarHBondContact O-CB 3.22Å; E275-A279 PolarHBondContact O-N 3.12Å; G276-A279 PolarHBondContact O-N 3.4Å; A279-F281 VanDerWaalsContact C-N 3.3Å
280	L	70.4	Confident	66.5	Low	134 Å²	134	105.4 Å²	105.4	70%	0.702	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-10.8	172.8	-68.4	167.9	0	0	0	113	G276 N277 L278 N282	G276-L280 WeakPolarHBondContact O-CG 3.38Å; G276-L280 PolarHBondContact O-N 3.22Å; N277-L280 PolarHBondContact O-N 3.16Å; L278-L280 VanDerWaalsContact C-N 3.25Å; L278-L280 PolarHBondContact O-N 2.93Å; L280-N282 PolarHBondContact O-N 3.22Å
281	F	61.8	Low	67.4	Low	118 Å²	118	101.2 Å²	101.2	52%	0.518	53%	0.526	S	S	.	.			trans	-74.9	106	179.1	-175.9	-102.3	0	0	0	111.1	L278 A279 K283 F286	L278-F281 VanDerWaalsContact O-CB 3.27Å; L278-F281 WeakPolarHBondContact O-CB 3.3Å; L278-F281 PolarHBondContact O-N 3Å; L278-F281 VanDerWaalsContact O-N 3.09Å; A279-F281 VanDerWaalsContact C-N 3.3Å; F281-K283 HydrophobicContact CD1-CB 4.32Å; F281-K283 HydrophobicContact CE1-CB 4.1Å; F281-K283 PolarHBondContact O-N 3.36Å; F281-K283 VanDerWaalsContact O-N 3.11Å; F281-F286 HydrophobicContact CZ-CB 4Å; F281-F286 HydrophobicContact CZ-CD2 4.4Å; F281-F286 HydrophobicContact CZ-CG 4.09Å
282	N	76.3	Confident	67.8	Low	90 Å²	90	97.8 Å²	97.8	48%	0.481	51%	0.513	S	S	.	.			trans	-82	90.3	175.4	-171.7	-23.6	0	0	0	110.6	L280 S284 A285 F286	L280-N282 PolarHBondContact O-N 3.22Å; N282-S284 PolarHBondContact O-N 3.32Å; N282-S284 WeakPolarHBondContact OD1-CB 3.21Å; N282-S284 PolarHBondContact OD1-N 3.32Å; N282-S284 VanDerWaalsContact OD1-N 3.17Å; N282-S284 PolarHBondContact OD1-OG 3.22Å; N282-A285 HydrophobicContact CB-CB 3.93Å; N282-A285 PolarHBondContact O-N 3.17Å; N282-A285 VanDerWaalsContact O-N 3.14Å; N282-A285 PolarHBondContact OD1-N 3.09Å; N282-F286 PolarHBondContact O-N 2.95Å; N282-F286 VanDerWaalsContact O-N 3.13Å
283	K	73.8	Confident	67.7	Low	85 Å²	85	101.6 Å²	101.6	37%	0.37	52%	0.524	S	S	.	.	H	α-helix	trans	-53.4	-38.1	176.8	-177.2	170.4	179.5	171.3	0	112.9	F281 F286 Y287 E317	F281-K283 HydrophobicContact CD1-CB 4.32Å; F281-K283 HydrophobicContact CE1-CB 4.1Å; F281-K283 PolarHBondContact O-N 3.36Å; F281-K283 VanDerWaalsContact O-N 3.11Å; K283-F286 PolarHBondContact O-N 3.35Å; K283-Y287 HydrophobicContact CD-CE2 4.07Å; K283-Y287 HydrophobicContact CG-CD2 3.89Å; K283-Y287 HydrophobicContact CG-CE2 3.43Å; K283-Y287 VanDerWaalsContact CG-CE2 3.43Å; K283-Y287 WeakPolarHBondContact O-CD2 3.48Å; K283-Y287 PolarHBondContact O-N 2.84Å; K283-Y287 VanDerWaalsContact O-N 3.14Å; K283-E317 IonicContact NZ-OE1 3.97Å; K283-E317 IonicContact NZ-OE2 3.32Å; K283-E317 PolarHBondContact NZ-OE2 2.93Å
284	S	71.4	Confident	66.9	Low	83 Å²	83	104.1 Å²	104.1	58%	0.58	53%	0.533	S	S	*	.	H	α-helix	trans	-66.1	-42.5	176.6	25.1	0	0	0	0	113.3	N282 F286 Y287 E288	N282-S284 PolarHBondContact O-N 3.32Å; N282-S284 WeakPolarHBondContact OD1-CB 3.21Å; N282-S284 PolarHBondContact OD1-N 3.32Å; N282-S284 VanDerWaalsContact OD1-N 3.17Å; N282-S284 PolarHBondContact OD1-OG 3.22Å; S284-F286 VanDerWaalsContact C-N 3.29Å; S284-F286 PolarHBondContact O-N 3.5Å; S284-Y287 PolarHBondContact O-N 3.16Å; S284-E288 WeakPolarHBondContact O-CB 3.49Å; S284-E288 PolarHBondContact O-N 2.7Å
285	A	69.3	Low	66.3	Low	45 Å²	45	99.1 Å²	99.1	37%	0.372	53%	0.527	S	S	.	.	H	α-helix	trans	-66.9	-32.8	177.5	0	0	0	0	0	112.1	N282 M289	N282-A285 HydrophobicContact CB-CB 3.93Å; N282-A285 PolarHBondContact O-N 3.17Å; N282-A285 VanDerWaalsContact O-N 3.14Å; N282-A285 PolarHBondContact OD1-N 3.09Å; A285-M289 WeakPolarHBondContact O-CB 3.18Å; A285-M289 PolarHBondContact O-N 2.79Å
286	F	69	Low	65.1	Low	94 Å²	94	99.7 Å²	99.7	41%	0.412	53%	0.529	S	S	.	.	H	α-helix	trans	-66.2	-46.8	174.1	-178.9	-95.9	0	0	0	111.9	F281 N282 K283 S284 M289 V290	F281-F286 HydrophobicContact CZ-CB 4Å; F281-F286 HydrophobicContact CZ-CD2 4.4Å; F281-F286 HydrophobicContact CZ-CG 4.09Å; N282-F286 PolarHBondContact O-N 2.95Å; N282-F286 VanDerWaalsContact O-N 3.13Å; K283-F286 PolarHBondContact O-N 3.35Å; S284-F286 VanDerWaalsContact C-N 3.29Å; S284-F286 PolarHBondContact O-N 3.5Å; F286-M289 HydrophobicContact CD2-CE 3.78Å; F286-M289 HydrophobicContact CE2-CE 3.95Å; F286-M289 PolarHBondContact O-N 3.36Å; F286-V290 HydrophobicContact CD1-CG2 4.31Å; F286-V290 HydrophobicContact CE1-CG2 3.91Å; F286-V290 HydrophobicContact CE2-CG2 4.5Å; F286-V290 HydrophobicContact CZ-CG2 4.02Å; F286-V290 WeakPolarHBondContact O-CG2 3.41Å; F286-V290 PolarHBondContact O-N 3.5Å
287	Y	69.5	Low	63.4	Low	121 Å²	121	103.8 Å²	103.8	48%	0.475	55%	0.554	S	S	.	*	H	α-helix	trans	-65.2	-40.6	175.3	-71.7	-58.7	0	0	0	112	K283 S284 M289 V290 D291	K283-Y287 HydrophobicContact CD-CE2 4.07Å; K283-Y287 HydrophobicContact CG-CD2 3.89Å; K283-Y287 HydrophobicContact CG-CE2 3.43Å; K283-Y287 VanDerWaalsContact CG-CE2 3.43Å; K283-Y287 WeakPolarHBondContact O-CD2 3.48Å; K283-Y287 PolarHBondContact O-N 2.84Å; K283-Y287 VanDerWaalsContact O-N 3.14Å; S284-Y287 PolarHBondContact O-N 3.16Å; Y287-M289 VanDerWaalsContact C-N 3.28Å; Y287-M289 PolarHBondContact O-N 2.63Å; Y287-V290 PolarHBondContact O-N 3.12Å; Y287-V290 VanDerWaalsContact O-N 3.13Å; Y287-D291 VanDerWaalsContact O-CB 3.29Å; Y287-D291 WeakPolarHBondContact O-CB 3.49Å; Y287-D291 PolarHBondContact O-N 3.46Å
288	E	70.8	Confident	62	Low	140 Å²	140	107.3 Å²	107.3	65%	0.654	57%	0.571	S	S	*	*	H	α-helix	trans	-60.7	-37.5	175.6	-169.2	175.7	-172.1	0	0	112	S284 S292	S284-E288 WeakPolarHBondContact O-CB 3.49Å; S284-E288 PolarHBondContact O-N 2.7Å; E288-S292 WeakPolarHBondContact O-CB 3.46Å; E288-S292 PolarHBondContact O-N 3.23Å; E288-S292 PolarHBondContact O-OG 3.09Å
289	M	72.5	Confident	60	Low	93 Å²	93	106.9 Å²	106.9	46%	0.458	58%	0.575	S	S	.	*	H	α-helix	trans	-68	-38	173.8	-179.1	-172.5	65.5	0	0	113.1	A285 F286 Y287 S292 R293	A285-M289 WeakPolarHBondContact O-CB 3.18Å; A285-M289 PolarHBondContact O-N 2.79Å; F286-M289 HydrophobicContact CD2-CE 3.78Å; F286-M289 HydrophobicContact CE2-CE 3.95Å; F286-M289 PolarHBondContact O-N 3.36Å; Y287-M289 VanDerWaalsContact C-N 3.28Å; Y287-M289 PolarHBondContact O-N 2.63Å; M289-S292 WeakPolarHBondContact CA-OG 3.37Å; M289-S292 PolarHBondContact O-OG 2.78Å; M289-R293 PolarHBondContact O-N 3.48Å
290	V	63.6	Low	58.2	Low	51 Å²	51	110 Å²	110	31%	0.309	58%	0.579	S	S	.	*	H	α-helix	trans	-71.3	-45.5	176.9	172.9	0	0	0	0	110.3	F286 Y287 S292 R293 E294	F286-V290 HydrophobicContact CD1-CG2 4.31Å; F286-V290 HydrophobicContact CE1-CG2 3.91Å; F286-V290 HydrophobicContact CE2-CG2 4.5Å; F286-V290 HydrophobicContact CZ-CG2 4.02Å; F286-V290 WeakPolarHBondContact O-CG2 3.41Å; F286-V290 PolarHBondContact O-N 3.5Å; Y287-V290 PolarHBondContact O-N 3.12Å; Y287-V290 VanDerWaalsContact O-N 3.13Å; V290-S292 PolarHBondContact O-N 3.45Å; V290-R293 WeakPolarHBondContact O-CB 3.28Å; V290-R293 PolarHBondContact O-N 3.43Å; V290-R293 VanDerWaalsContact O-N 3.16Å; V290-E294 PolarHBondContact O-N 3.13Å
291	D	67.3	Low	56.6	Low	100 Å²	100	109.5 Å²	109.5	54%	0.535	58%	0.582	S	S	.	*	H	α-helix	trans	-66.1	-36.5	178.6	-67.1	-15.8	0	0	0	111.6	Y287 R293 E294 G295	Y287-D291 VanDerWaalsContact O-CB 3.29Å; Y287-D291 WeakPolarHBondContact O-CB 3.49Å; Y287-D291 PolarHBondContact O-N 3.46Å; D291-R293 VanDerWaalsContact C-N 3.33Å; D291-E294 PolarHBondContact O-N 2.92Å; D291-G295 PolarHBondContact O-N 3.33Å
292	S	65.1	Low	55.2	Low	61 Å²	61	108.5 Å²	108.5	43%	0.427	59%	0.59	S	S	.	*	H	α-helix	trans	-72.3	-24.9	174.9	49.7	0	0	0	0	113.1	E288 M289 V290 H296	E288-S292 WeakPolarHBondContact O-CB 3.46Å; E288-S292 PolarHBondContact O-N 3.23Å; E288-S292 PolarHBondContact O-OG 3.09Å; M289-S292 WeakPolarHBondContact CA-OG 3.37Å; M289-S292 PolarHBondContact O-OG 2.78Å; V290-S292 PolarHBondContact O-N 3.45Å; S292-H296 PolarHBondContact O-ND1 3.35Å
293	R	52.3	Low	53.3	Low	184 Å²	184	111.9 Å²	111.9	69%	0.694	61%	0.608	S	S	*	*	H	α-helix	trans	-75.3	-33.8	169.9	-85.9	-179.2	164.1	-165.8	-6.5	113	M289 V290 D291	M289-R293 PolarHBondContact O-N 3.48Å; V290-R293 WeakPolarHBondContact O-CB 3.28Å; V290-R293 PolarHBondContact O-N 3.43Å; V290-R293 VanDerWaalsContact O-N 3.16Å; D291-R293 VanDerWaalsContact C-N 3.33Å
294	E	50.4	Low	51.4	Low	148 Å²	148	113.3 Å²	113.3	69%	0.692	62%	0.623	S	S	*	*	H	α-helix	trans	-81	-23.8	174.7	-82	177.5	158.8	0	0	113.1	V290 D291 H296	V290-E294 PolarHBondContact O-N 3.13Å; D291-E294 PolarHBondContact O-N 2.92Å; E294-H296 VanDerWaalsContact C-N 3.29Å; E294-H296 PolarHBondContact O-N 3.44Å
295	G	44.3	Very low	49.6	Very low	58 Å²	58	116.2 Å²	116.2	60%	0.598	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	-4.2	178.3	0	0	0	0	0	116.6	D291	D291-G295 PolarHBondContact O-N 3.33Å
296	H	42.9	Very low	47.7	Very low	169 Å²	169	121.3 Å²	121.3	78%	0.782	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.9	14.8	-175.4	-79.5	64.6	0	0	0	114.6	S292 E294	S292-H296 PolarHBondContact O-ND1 3.35Å; E294-H296 VanDerWaalsContact C-N 3.29Å; E294-H296 PolarHBondContact O-N 3.44Å
297	S	35.3	Very low	46	Very low	109 Å²	109	122.1 Å²	122.1	76%	0.762	67%	0.67	S	S	*	*	S	Bend	trans	-120.1	19.2	-179.1	-144.4	0	0	0	0	115.4
298	I	34.4	Very low	44	Very low	157 Å²	157	121.5 Å²	121.5	81%	0.805	68%	0.684	S	S	*	*			trans	-134.2	90.1	176.9	-46.4	176.1	0	0	0	110
299	T	31.8	Very low	42.1	Very low	119 Å²	119	121.4 Å²	121.4	73%	0.73	69%	0.693	S	S	*	*			trans	-135.5	122.8	163.5	51.6	0	0	0	0	110.6
300	N	30.9	Very low	39.9	Very low	150 Å²	150	121.8 Å²	121.8	80%	0.802	71%	0.705	S	S	*	*			trans	82	122	162.4	-46	-29.6	0	0	0	114.3
301	T	35.9	Very low	38.3	Very low	125 Å²	125	124.9 Å²	124.9	77%	0.767	73%	0.728	S	S	*	*			cis	-156.6	136.8	35.8	47.7	0	0	0	0	112.6
302	S	33.4	Very low	36.6	Very low	97 Å²	97	128.5 Å²	128.5	68%	0.678	75%	0.747	S	S	*	*			trans	26.8	113.8	145.7	59.2	0	0	0	0	120
303	D	35.3	Very low	35.1	Very low	160 Å²	160	130.6 Å²	130.6	86%	0.856	76%	0.759	S	S	*	*				-173.1	148.2	98.5	-95.2	-25.3	0	0	0	114.3
304	V	34.4	Very low	34.2	Very low	116 Å²	116	130.3 Å²	130.3	70%	0.703	77%	0.765	S	S	*	*			trans	-84.5	128.9	-164.6	179	0	0	0	0	110.5
305	N	34.2	Very low	33.5	Very low	144 Å²	144	132.2 Å²	132.2	77%	0.77	77%	0.772	S	S	*	*				172.6	105.9	128.1	-88.9	-38	0	0	0	113.8
306	N	29	Very low	33.2	Very low	152 Å²	152	136.7 Å²	136.7	81%	0.813	78%	0.78	S	S	*	*			trans	22.6	111.5	134.6	-67.4	-21.7	0	0	0	119.5
307	S	33.3	Very low	32.9	Very low	110 Å²	110	133.8 Å²	133.8	77%	0.769	77%	0.767	S	S	*	*				-170.7	116.3	106.8	63.3	0	0	0	0	112.1
308	S	27.6	Very low	33.6	Very low	108 Å²	108	129.8 Å²	129.8	76%	0.755	74%	0.743	S	S	*	*			trans	-6.1	132.7	151.8	54	0	0	0	0	118.4
309	V	30.2	Very low	34.3	Very low	139 Å²	139	129.6 Å²	129.6	84%	0.842	75%	0.752	S	S	*	*				-164.3	130	105.8	168.3	0	0	0	0	109.9
310	S	27	Very low	35	Very low	101 Å²	101	129.5 Å²	129.5	71%	0.706	75%	0.747	S	S	*	*			trans	-61.1	140.3	176.5	55.9	0	0	0	0	115.3
311	S	29.2	Very low	35.2	Very low	116 Å²	116	124.5 Å²	124.5	81%	0.811	73%	0.731	S	S	*	*				153.5	97	125.9	53	0	0	0	0	111.7
312	L	31.4	Very low	35.6	Very low	175 Å²	175	122.9 Å²	122.9	92%	0.916	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-94.2	121.1	163.6	-151	77	0	0	0	107.3	H314	L312-H314 PolarHBondContact O-N 3.38Å
313	P	33.6	Very low	35.7	Very low	105 Å²	105	120.6 Å²	120.6	68%	0.682	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-76.6	122.5	-173.8	28.5	-30.3	0	0	0	110.8	F315	P313-F315 PolarHBondContact O-N 2.75Å
314	H	33.3	Very low	35.9	Very low	179 Å²	179	119.6 Å²	119.6	83%	0.829	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-58.3	121.3	171.8	-154	67.3	0	0	0	109.9	L312 I316	L312-H314 PolarHBondContact O-N 3.38Å; H314-I316 PolarHBondContact O-N 3Å
315	F	36.6	Very low	36.1	Very low	188 Å²	188	118.7 Å²	118.7	83%	0.825	70%	0.702	S	S	*	*			trans	-69.7	114.9	176.5	-74.8	-86.1	0	0	0	109.9	P313	P313-F315 PolarHBondContact O-N 2.75Å
316	I	37.4	Very low	36	Very low	151 Å²	151	119.3 Å²	119.3	77%	0.774	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-90.4	116.7	171.1	-62.6	171.2	0	0	0	107.8	H314	H314-I316 PolarHBondContact O-N 3Å
317	E	35.8	Very low	36.3	Very low	108 Å²	108	120.2 Å²	120.2	51%	0.505	70%	0.701	S	S	.	*	P	Polyproline II helix	trans	-68.2	130.8	175.1	-172	171	-169.5	0	0	110.4	K283	K283-E317 IonicContact NZ-OE1 3.97Å; K283-E317 IonicContact NZ-OE2 3.32Å; K283-E317 PolarHBondContact NZ-OE2 2.93Å
318	G	50.2	Low	36.1	Very low	25 Å²	25	121 Å²	121	26%	0.258	70%	0.702	S	S	.	*	P	Polyproline II helix	trans	-70.5	162.4	173.4	0	0	0	0	0	111.9	D320 G321	G318-D320 PolarHBondContact O-N 2.9Å; G318-G321 PolarHBondContact O-N 2.71Å
319	P	48.9	Very low	36.1	Very low	153 Å²	153	122 Å²	122	99%	0.994	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.4	-4.4	179.9	26.1	-34	0	0	0	114.7
320	D	46.8	Very low	36.2	Very low	117 Å²	117	121.1 Å²	121.1	63%	0.626	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.8	5.3	175.1	61.5	-12.8	0	0	0	113.6	G318 V322	G318-D320 PolarHBondContact O-N 2.9Å; D320-V322 VanDerWaalsContact C-N 3.26Å; D320-V322 PolarHBondContact O-N 2.68Å; D320-V322 PolarHBondContact OD1-N 3.1Å
321	G	36.3	Very low	36.3	Very low	45 Å²	45	122.9 Å²	122.9	46%	0.464	71%	0.708	S	S	.	*	S	Bend	trans	74.1	11.7	179.5	0	0	0	0	0	114.4	G318	G318-G321 PolarHBondContact O-N 2.71Å
322	V	42.9	Very low	36.2	Very low	91 Å²	91	126.6 Å²	126.6	55%	0.552	71%	0.712	S	S	*	*			trans	-119	107.9	-178.2	-163.9	0	0	0	0	110.1	D320 I324	D320-V322 VanDerWaalsContact C-N 3.26Å; D320-V322 PolarHBondContact O-N 2.68Å; D320-V322 PolarHBondContact OD1-N 3.1Å; V322-I324 PolarHBondContact O-N 2.79Å
323	G	35.8	Very low	36.2	Very low	49 Å²	49	123.5 Å²	123.5	51%	0.505	71%	0.705	S	S	.	*			trans	-66.5	124	173.4	0	0	0	0	0	111.8
324	I	40.9	Very low	36	Very low	139 Å²	139	123.1 Å²	123.1	71%	0.713	71%	0.705	S	S	*	*			trans	-84.9	128.7	175.1	-50	171.7	0	0	0	108.4	V322 L326	V322-I324 PolarHBondContact O-N 2.79Å; I324-L326 PolarHBondContact O-N 3.46Å; I324-L326 VanDerWaalsContact O-N 3.08Å
325	P	37.5	Very low	35.7	Very low	98 Å²	98	121.5 Å²	121.5	64%	0.636	70%	0.702	S	S	*	*			trans	-70.5	107	164.1	27.4	-28.1	0	0	0	108.5	F327	P325-F327 PolarHBondContact O-N 2.94Å
326	L	32.8	Very low	35.4	Very low	157 Å²	157	121 Å²	121	82%	0.822	71%	0.707	S	S	*	*			trans	-63.5	111.1	175.5	-113.9	122.6	0	0	0	109.9	I324 T328	I324-L326 PolarHBondContact O-N 3.46Å; I324-L326 VanDerWaalsContact O-N 3.08Å; L326-T328 PolarHBondContact O-N 2.74Å
327	F	34.2	Very low	34.8	Very low	170 Å²	170	119.3 Å²	119.3	75%	0.746	70%	0.703	S	S	*	*			trans	-73.6	109.2	167.5	-67.5	-79.2	0	0	0	109.4	P325	P325-F327 PolarHBondContact O-N 2.94Å
328	T	29.8	Very low	34.5	Very low	126 Å²	126	120.8 Å²	120.8	77%	0.773	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-70.9	125.3	165	48.7	0	0	0	0	109.1	L326 P330	L326-T328 PolarHBondContact O-N 2.74Å; T328-P330 WeakPolarHBondContact O-CD 3.29Å
329	T	27.4	Very low	33.4	Very low	131 Å²	131	124.6 Å²	124.6	80%	0.804	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-63.6	125.1	176.9	43.7	0	0	0	0	111.2	T331	T329-T331 PolarHBondContact O-N 3.34Å
330	P	33.1	Very low	32.4	Very low	119 Å²	119	126 Å²	126	77%	0.773	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-79.2	120.6	165.3	-2.7	20.6	0	0	0	109.2	T328	T328-P330 WeakPolarHBondContact O-CD 3.29Å
331	T	29.5	Very low	31.6	Very low	139 Å²	139	126.2 Å²	126.2	85%	0.853	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-56.8	146.8	168.8	13.5	0	0	0	0	112.1	T329	T329-T331 PolarHBondContact O-N 3.34Å
332	Q	26.8	Very low	31	Very low	194 Å²	194	128.8 Å²	128.8	91%	0.907	76%	0.756	S	S	*	*			trans	-45.8	133.7	-177.7	-64.1	166.1	0.7	0	0	115
333	S	31.1	Very low	30.3	Very low	109 Å²	109	130.3 Å²	130.3	76%	0.762	77%	0.771	S	S	*	*			trans	-153.9	103.2	139.6	46.9	0	0	0	0	112.1
334	S	29.7	Very low	29.9	Very low	97 Å²	97	134.6 Å²	134.6	68%	0.678	79%	0.788	S	S	*	*			trans	40	116	142.6	60.8	0	0	0	0	122.7
335	N	26.8	Very low	29.3	Very low	146 Å²	146	138.9 Å²	138.9	78%	0.781	80%	0.795	S	S	*	*				76.5	101	124.9	-57.5	-14.7	0	0	0	120.3
336	L	29.1	Very low	29	Very low	178 Å²	178	139.7 Å²	139.7	93%	0.932	80%	0.798	S	S	*	*				-160.6	116.4	117.3	-106.7	144.5	0	0	0	110.8
337	V	25.6	Very low	28.5	Very low	114 Å²	114	138.6 Å²	138.6	69%	0.691	80%	0.798	S	S	*	*			trans	-84.6	129.4	-179.3	171.2	0	0	0	0	109.1
338	T	29.9	Very low	28.2	Very low	140 Å²	140	137 Å²	137	86%	0.859	80%	0.796	S	S	*	*			trans	-138.7	112.4	146.3	-66	0	0	0	0	108.6
339	T	25.7	Very low	27.9	Very low	104 Å²	104	137 Å²	137	64%	0.638	80%	0.796	S	S	*	*			trans	-72.3	124.8	-175.2	-6.2	0	0	0	0	111
340	M	28.7	Very low	28	Very low	183 Å²	183	137.6 Å²	137.6	90%	0.901	79%	0.794	S	S	*	*			trans	-140	124.9	147.1	-85	-78.2	100.7	0	0	108.2
341	T	29.8	Very low	27.7	Very low	122 Å²	122	137.5 Å²	137.5	75%	0.748	79%	0.791	S	S	*	*			trans	-67.3	134.9	-161.8	39.2	0	0	0	0	115
342	A	23.8	Very low	27.5	Very low	98 Å²	98	136.8 Å²	136.8	81%	0.81	79%	0.791	S	S	*	*			trans	-68.9	131.1	163.6	0	0	0	0	0	110.9
343	S	29.2	Very low	27.6	Very low	123 Å²	123	133.1 Å²	133.1	86%	0.86	79%	0.787	S	S	*	*			trans	-111.7	101.3	158.4	-94.3	0	0	0	0	109.2
344	T	26.8	Very low	27.4	Very low	140 Å²	140	131.2 Å²	131.2	86%	0.859	79%	0.785	S	S	*	*			trans	-49.7	126.6	156.5	7.1	0	0	0	0	110.3
345	R	28.8	Very low	27.3	Very low	229 Å²	229	131.9 Å²	131.9	86%	0.864	79%	0.79	S	S	*	*			trans	-150	97.6	152.6	-157.7	166.9	166.8	172.4	-5.4	112.7
346	T	29.8	Very low	27.4	Very low	115 Å²	115	131.6 Å²	131.6	71%	0.706	78%	0.783	S	S	*	*			trans	11.2	116.8	141	15.6	0	0	0	0	118.5	L348	T346-L348 PolarHBondContact O-N 2.71Å
347	T	23.7	Very low	27.5	Very low	133 Å²	133	132 Å²	132	82%	0.816	77%	0.774	S	S	*	*			trans	-49.5	116.9	153.7	-48.2	0	0	0	0	110.3
348	L	28.2	Very low	27.6	Very low	136 Å²	136	135.1 Å²	135.1	71%	0.712	78%	0.781	S	S	*	*			trans	-127.4	102	163	-79.7	171.2	0	0	0	108.5	T346 I350	T346-L348 PolarHBondContact O-N 2.71Å; L348-I350 PolarHBondContact O-N 2.75Å
349	T	23.1	Very low	27.5	Very low	126 Å²	126	135.6 Å²	135.6	77%	0.773	77%	0.773	S	S	*	*			trans	-57	116.8	158.9	-51.7	0	0	0	0	108.2
350	I	29.7	Very low	27.8	Very low	145 Å²	145	138 Å²	138	74%	0.744	78%	0.775	S	S	*	*			trans	-129.9	116.6	167.1	-57.7	-179.1	0	0	0	108.4	L348	L348-I350 PolarHBondContact O-N 2.75Å
351	T	26.9	Very low	28	Very low	117 Å²	117	137.6 Å²	137.6	72%	0.718	77%	0.77	S	S	*	*			trans	-68.2	150.4	173.7	40.5	0	0	0	0	111.6	S353	T351-S353 PolarHBondContact O-N 3.2Å
352	S	24.2	Very low	28.2	Very low	123 Å²	123	140.3 Å²	140.3	86%	0.86	77%	0.772	S	S	*	*			trans	-57.3	126.4	177.9	54.2	0	0	0	0	113.4
353	S	29.9	Very low	28.6	Very low	118 Å²	118	142.1 Å²	142.1	83%	0.825	77%	0.766	S	S	*	*			trans	-149	130	147.2	52.8	0	0	0	0	108.6	T351	T351-S353 PolarHBondContact O-N 3.2Å
354	G	26.1	Very low	28.7	Very low	68 Å²	68	142.9 Å²	142.9	70%	0.701	76%	0.761	S	S	*	*			trans	-87.3	-167.9	-174.1	0	0	0	0	0	114.2
355	S	28.2	Very low	28.7	Very low	112 Å²	112	143.5 Å²	143.5	78%	0.783	76%	0.759	S	S	*	*			trans	78.4	137.9	178.5	86.5	0	0	0	0	112.9
356	H	28.8	Very low	28.7	Very low	139 Å²	139	139.6 Å²	139.6	64%	0.644	76%	0.761	S	S	*	*			cis	179.5	157	-1.1	-132.9	-80.9	0	0	0	105.6
357	Y	30.6	Very low	28.6	Very low	187 Å²	187	143 Å²	143	73%	0.733	77%	0.769	S	S	*	*			trans	77.1	108.5	167.1	-51.3	-68	0	0	0	117.2
358	E	27	Very low	28.9	Very low	180 Å²	180	144.9 Å²	144.9	84%	0.841	77%	0.772	S	S	*	*				46.9	117.8	85.2	-74.8	-168.8	144.8	0	0	111.7
359	E	29.6	Very low	28.8	Very low	150 Å²	150	145.2 Å²	145.2	70%	0.701	77%	0.774	S	S	*	*				-175.4	137	75	-176.7	159.6	-149.9	0	0	112.9
360	K	30	Very low	29.2	Very low	155 Å²	155	145.5 Å²	145.5	67%	0.674	78%	0.776	S	S	*	*			trans	15.5	138.4	148.6	-55	165.7	-164.1	140.2	0	121.1
361	H	34.4	Very low	29.1	Very low	174 Å²	174	144.1 Å²	144.1	81%	0.806	78%	0.775	S	S	*	*				-166.4	110.9	119.4	-93.2	-63.7	0	0	0	110.5
362	K	33.5	Very low	29.4	Very low	178 Å²	178	143.4 Å²	143.4	77%	0.774	77%	0.774	S	S	*	*				64	101.7	109	-100	-179.6	169.3	-179.3	0	115.1
363	I	31.9	Very low	29.7	Very low	136 Å²	136	144 Å²	144	70%	0.697	77%	0.768	S	S	*	*				89.9	121.9	78.4	-77.7	177.1	0	0	0	114.3
364	N	31.6	Very low	29.8	Very low	139 Å²	139	145.7 Å²	145.7	74%	0.743	77%	0.767	S	S	*	*			trans	89.9	105.9	148.5	-66.7	-7.9	0	0	0	124.1
365	N	26.1	Very low	30	Very low	153 Å²	153	150 Å²	150	82%	0.818	77%	0.767	S	S	*	*				16.7	126.3	126.8	-66.9	-6.7	0	0	0	120.8
366	T	30.2	Very low	30.2	Very low	147 Å²	147	152.5 Å²	152.5	90%	0.902	76%	0.764	S	S	*	*			trans	-158	131.9	132.5	11.8	0	0	0	0	111.3
367	Q	26.2	Very low	30.4	Very low	187 Å²	187	151.6 Å²	151.6	87%	0.874	76%	0.763	S	S	*	*			trans	-69.6	145.4	171.6	-76.3	172.2	-36.5	0	0	112.2
368	I	31.8	Very low	30.6	Very low	172 Å²	172	148.3 Å²	148.3	88%	0.882	76%	0.758	S	S	*	*			trans	-138.9	123.9	152.8	-61.5	-177.4	0	0	0	108.9
369	N	25.3	Very low	31	Very low	143 Å²	143	146.1 Å²	146.1	77%	0.765	75%	0.748	S	S	*	*			trans	-88	173.6	174.8	-104.3	-14.2	0	0	0	111.8
370	T	30.7	Very low	31.3	Very low	133 Å²	133	145.5 Å²	145.5	82%	0.816	74%	0.744	S	S	*	*			trans	112.5	146.4	150.3	66.4	0	0	0	0	116.8
371	T	27.7	Very low	31.5	Very low	116 Å²	116	145 Å²	145	71%	0.712	75%	0.749	S	S	*	*			cis	178.4	150.1	-20.7	-69.1	0	0	0	0	106.1
372	S	33.4	Very low	31.4	Very low	101 Å²	101	141.7 Å²	141.7	71%	0.706	75%	0.746	S	S	*	*			trans	145.2	146.2	144.8	56.5	0	0	0	0	112.3
373	N	30.6	Very low	31.2	Very low	135 Å²	135	139.8 Å²	139.8	72%	0.722	75%	0.749	S	S	*	*			cis	-170.8	136.2	-8.2	-95.2	-19.9	0	0	0	106.9
374	N	32.9	Very low	31.2	Very low	154 Å²	154	138.4 Å²	138.4	82%	0.824	75%	0.751	S	S	*	*				147.4	152.8	119.4	-79.7	-31.2	0	0	0	108.6
375	K	29.6	Very low	31.1	Very low	160 Å²	160	137.7 Å²	137.7	70%	0.696	76%	0.757	S	S	*	*			cis	179.4	154	-29	-172	172.9	175.4	179.4	0	104.2
376	F	31.9	Very low	31.3	Very low	163 Å²	163	134 Å²	134	72%	0.715	76%	0.755	S	S	*	*			trans	92.4	135.1	167.2	-62.2	-87.3	0	0	0	118.4
377	I	34	Very low	31.1	Very low	121 Å²	121	133.5 Å²	133.5	62%	0.621	75%	0.752	S	S	*	*			cis	-174.2	141.6	-25.5	-116.6	-179.3	0	0	0	107.1
378	N	33.3	Very low	31.3	Very low	118 Å²	118	130.1 Å²	130.1	63%	0.631	74%	0.744	S	S	*	*			trans	62.3	147.9	150.1	-68.1	-0.2	0	0	0	121.4
379	H	35.7	Very low	31.1	Very low	134 Å²	134	127.6 Å²	127.6	62%	0.62	74%	0.736	S	S	*	*			cis	-173.6	154.5	7.3	-115.9	-43.2	0	0	0	111.7
380	H	36.6	Very low	31.4	Very low	137 Å²	137	126.3 Å²	126.3	63%	0.634	74%	0.739	S	S	*	*			trans	78.9	110.4	146.6	-68	-49.1	0	0	0	121
381	N	33.1	Very low	31.1	Very low	143 Å²	143	125.4 Å²	125.4	77%	0.765	74%	0.738	S	S	*	*				84.5	136.3	83.2	-89.4	7.6	0	0	0	112.3
382	S	32.6	Very low	31.3	Very low	106 Å²	106	126.1 Å²	126.1	74%	0.741	74%	0.744	S	S	*	*			cis	-160.8	160.4	17.2	-77.7	0	0	0	0	111.8
383	T	29	Very low	30.9	Very low	138 Å²	138	126.2 Å²	126.2	85%	0.847	75%	0.751	S	S	*	*			trans	-73.5	157.3	-178.8	-32.4	0	0	0	0	116.1
384	S	32	Very low	30.8	Very low	107 Å²	107	124.8 Å²	124.8	75%	0.748	76%	0.758	S	S	*	*			trans	135.7	112.9	134.9	90.8	0	0	0	0	112.1
385	S	30.1	Very low	30.4	Very low	124 Å²	124	122 Å²	122	87%	0.867	76%	0.756	S	S	*	*				93.2	113.5	83.2	169.3	0	0	0	0	112.3
386	G	30.9	Very low	30.4	Very low	75 Å²	75	121.3 Å²	121.3	77%	0.773	77%	0.765	S	S	*	*			trans	172.3	89.1	169.2	0	0	0	0	0	113
387	V	25.9	Very low	30	Very low	137 Å²	137	119 Å²	119	83%	0.83	77%	0.765	S	S	*	*			trans	-76.8	158.6	174.8	-179.2	0	0	0	0	110
388	V	30.7	Very low	29.9	Very low	116 Å²	116	119.5 Å²	119.5	70%	0.703	77%	0.773	S	S	*	*			trans	132.8	100	140.1	-178.3	0	0	0	0	113.8
389	T	27.2	Very low	29.7	Very low	119 Å²	119	121.7 Å²	121.7	73%	0.73	78%	0.779	S	S	*	*			trans	35.3	125.6	136.1	71.3	0	0	0	0	121.3
390	S	31.4	Very low	29.3	Very low	116 Å²	116	119.9 Å²	119.9	81%	0.811	78%	0.781	S	S	*	*				158.4	121.9	110.2	60	0	0	0	0	112.1
391	S	23.9	Very low	28.9	Very low	114 Å²	114	122.8 Å²	122.8	80%	0.797	79%	0.792	S	S	*	*			trans	-64.6	160.9	157	-55.8	0	0	0	0	110
392	P	32.6	Very low	28.6	Very low	131 Å²	131	124.6 Å²	124.6	85%	0.851	80%	0.796	S	S	*	*			cis	-146.1	-176.9	44.6	37.1	-13	0	0	0	116.9
393	A	24.6	Very low	28.4	Very low	103 Å²	103	125 Å²	125	85%	0.851	80%	0.799	S	S	*	*			trans	-58.8	148.8	-175.2	0	0	0	0	0	117.2
394	A	29.6	Very low	28.2	Very low	105 Å²	105	124.9 Å²	124.9	87%	0.868	79%	0.793	S	S	*	*			trans	-162.5	135.7	144.4	0	0	0	0	0	110.2
395	A	23.9	Very low	27.9	Very low	94 Å²	94	130.1 Å²	130.1	78%	0.777	80%	0.803	S	S	*	*			trans	-76.9	152.2	-172.8	0	0	0	0	0	114.3
396	V	29	Very low	27.7	Very low	147 Å²	147	130.4 Å²	130.4	89%	0.891	80%	0.795	S	S	*	*			trans	-135.4	122.7	152.5	177.4	0	0	0	0	108.9
397	T	24.9	Very low	27.6	Very low	115 Å²	115	134.5 Å²	134.5	71%	0.706	80%	0.799	S	S	*	*			trans	-83.4	141.6	-176.8	-54	0	0	0	0	112
398	V	30.5	Very low	27.5	Very low	130 Å²	130	135.3 Å²	135.3	79%	0.788	80%	0.798	S	S	*	*			trans	-141.4	105	150.7	-176.7	0	0	0	0	109.4
399	H	29.4	Very low	27.5	Very low	164 Å²	164	136.5 Å²	136.5	76%	0.759	80%	0.8	S	S	*	*			trans	32.8	143.3	139.4	-65.9	-77.8	0	0	0	121.6
400	S	27.2	Very low	27.5	Very low	96 Å²	96	138.6 Å²	138.6	67%	0.671	81%	0.806	S	S	*	*			cis	172.7	158.2	-12.6	45.3	0	0	0	0	108.2
401	K	28.7	Very low	27.2	Very low	198 Å²	198	139.1 Å²	139.1	86%	0.861	80%	0.8	S	S	*	*			trans	100	86	177.1	-65.7	-175.2	173.2	-178.2	0	113.9
402	E	26.3	Very low	27.3	Very low	181 Å²	181	141.4 Å²	141.4	85%	0.846	80%	0.795	S	S	*	*				66.3	99.4	63.6	-68.7	-170.9	155.2	0	0	116.2
403	S	28.3	Very low	27	Very low	114 Å²	114	141.7 Å²	141.7	80%	0.797	79%	0.785	S	S	*	*				176.6	84.8	129.4	60.4	0	0	0	0	108.6
404	N	24.7	Very low	27.1	Very low	136 Å²	136	143.4 Å²	143.4	73%	0.727	77%	0.771	S	S	*	*				42.6	102.3	95	-75	-22.3	0	0	0	115.6
405	F	27	Very low	26.9	Very low	217 Å²	217	147.8 Å²	147.8	95%	0.952	77%	0.766	S	S	*	*				-155.9	117	123.8	-111.2	-79.7	0	0	0	110.1
406	N	25.6	Very low	27.2	Very low	131 Å²	131	145.7 Å²	145.7	70%	0.701	74%	0.742	S	S	*	*			trans	-74.6	137.6	174	-79.5	-44.2	0	0	0	110.2
407	D	27.7	Very low	27.1	Very low	160 Å²	160	145.2 Å²	145.2	86%	0.856	73%	0.734	S	S	*	*			trans	-146.5	97.8	138	-100.7	-24.8	0	0	0	109.8	I409	D407-I409 PolarHBondContact O-N 3.44Å
408	N	24.9	Very low	27.3	Very low	154 Å²	154	142 Å²	142	82%	0.824	72%	0.716	S	S	*	*			trans	-73.6	102.7	171.2	-98.9	-33.1	0	0	0	109.1
409	I	29.8	Very low	27.6	Very low	142 Å²	142	141.6 Å²	141.6	73%	0.728	71%	0.708	S	S	*	*			trans	-126.5	102.7	159.3	-58.3	179	0	0	0	107.9	D407 N411	D407-I409 PolarHBondContact O-N 3.44Å; I409-N411 PolarHBondContact O-N 2.8Å
410	N	27.2	Very low	27.7	Very low	162 Å²	162	140.3 Å²	140.3	87%	0.866	70%	0.701	S	S	*	*			trans	-11.2	86.1	170.9	-66.9	-35	0	0	0	116.5	K412	N410-K412 PolarHBondContact O-N 3.25Å
411	N	26.5	Very low	28	Very low	128 Å²	128	144.7 Å²	144.7	68%	0.684	71%	0.71	S	S	*	*			trans	-71.6	88.9	165.2	-81.8	-17.6	0	0	0	109.5	I409 Q413	I409-N411 PolarHBondContact O-N 2.8Å; N411-Q413 PolarHBondContact O-N 3.2Å
412	K	25.9	Very low	28.2	Very low	161 Å²	161	145.8 Å²	145.8	70%	0.7	71%	0.709	S	S	*	*			trans	-67	92.6	156.3	-99.7	-178.3	176.6	176.1	0	107.3	N410 Y414	N410-K412 PolarHBondContact O-N 3.25Å; K412-Y414 HydrophobicContact CB-CE2 4.12Å; K412-Y414 WeakPolarHBondContact O-CD2 3.44Å; K412-Y414 PolarHBondContact O-N 3.19Å
413	Q	26.5	Very low	28.6	Very low	137 Å²	137	144.2 Å²	144.2	64%	0.64	71%	0.707	S	S	*	*			trans	-57.2	102.7	162.7	-107.7	169.1	-18.2	0	0	107.7	N411 Y415	N411-Q413 PolarHBondContact O-N 3.2Å; Q413-Y415 PolarHBondContact O-N 3.1Å
414	Y	26.1	Very low	29.3	Very low	139 Å²	139	144.7 Å²	144.7	55%	0.545	70%	0.7	S	S	.	*			trans	-75.6	106.4	165	-72.5	-84.1	0	0	0	106.2	K412 I416	K412-Y414 HydrophobicContact CB-CE2 4.12Å; K412-Y414 WeakPolarHBondContact O-CD2 3.44Å; K412-Y414 PolarHBondContact O-N 3.19Å; Y414-I416 PolarHBondContact O-N 3.44Å
415	Y	26	Very low	30.7	Very low	198 Å²	198	144.3 Å²	144.3	78%	0.776	69%	0.694	S	S	*	*			trans	-57.2	96.7	160.9	-71.4	-91.3	0	0	0	106.8	Q413 N417	Q413-Y415 PolarHBondContact O-N 3.1Å; Y415-N417 PolarHBondContact O-N 3.23Å
416	I	30.1	Very low	32.1	Very low	50 Å²	50	137.5 Å²	137.5	26%	0.256	66%	0.662	S	S	.	*			trans	-57	122.4	151.5	-58.8	177.5	0	0	0	102.3	Y414 S418 V775	Y414-I416 PolarHBondContact O-N 3.44Å; I416-S418 PolarHBondContact O-N 3.35Å; I416-V775 HydrophobicContact CD1-CB 4.09Å; I416-V775 WeakPolarHBondContact CD1-O 3.41Å
417	N	25	Very low	33.4	Very low	137 Å²	137	133.6 Å²	133.6	73%	0.733	64%	0.638	S	S	*	*			trans	-57	85.6	163	-78.1	-26.7	0	0	0	105.3	Y415 I419	Y415-N417 PolarHBondContact O-N 3.23Å; N417-I419 PolarHBondContact O-N 2.84Å
418	S	30.1	Very low	34.4	Very low	46 Å²	46	132.2 Å²	132.2	32%	0.322	62%	0.622	S	S	.	*			trans	-44.4	121.2	146.2	26.5	0	0	0	0	102.1	I416 K420	I416-S418 PolarHBondContact O-N 3.35Å; S418-K420 PolarHBondContact O-N 3.41Å
419	I	35.7	Very low	35.6	Very low	122 Å²	122	125.6 Å²	125.6	63%	0.626	59%	0.587	S	S	*	*			trans	-64.2	71	176.9	-62	169.4	0	0	0	104.8	N417 Q421 W427	N417-I419 PolarHBondContact O-N 2.84Å; I419-Q421 VanDerWaalsContact C-N 3.31Å; I419-Q421 PolarHBondContact O-N 3.42Å; I419-W427 HydrophobicContact CD1-CH2 3.88Å; I419-W427 HydrophobicContact CD1-CZ2 4.09Å
420	K	32.5	Very low	36.4	Very low	138 Å²	138	125 Å²	125	60%	0.6	59%	0.593	S	S	*	*			trans	-81.6	91.4	-176.3	-88.6	-172.9	178	-176.2	0	103.8	S418 R422	S418-K420 PolarHBondContact O-N 3.41Å; K420-R422 VanDerWaalsContact C-N 3.29Å; K420-R422 PolarHBondContact O-N 3.34Å
421	Q	34.3	Very low	37.7	Very low	188 Å²	188	122 Å²	122	88%	0.879	58%	0.581	S	S	*	*	S	Bend	trans	55.8	35.1	130.7	-63.3	-173.9	-19.6	0	0	116.2	I419	I419-Q421 VanDerWaalsContact C-N 3.31Å; I419-Q421 PolarHBondContact O-N 3.42Å
422	R	31.7	Very low	38.9	Very low	221 Å²	221	118.4 Å²	118.4	83%	0.834	57%	0.574	S	S	*	*			trans	-131.7	95.1	168	-75.1	-169.4	177.5	172	0.7	111.2	K420	K420-R422 VanDerWaalsContact C-N 3.29Å; K420-R422 PolarHBondContact O-N 3.34Å
423	N	35.3	Very low	40	Very low	148 Å²	148	113.8 Å²	113.8	79%	0.791	56%	0.556	S	S	*	*	S	Bend	trans	68.3	115.4	155.2	-59	-19.3	0	0	0	118.4
424	N	43.2	Very low	41.3	Very low	124 Å²	124	112.7 Å²	112.7	66%	0.663	55%	0.546	S	S	*	.			trans	75.8	71.4	152.6	-57.9	-18.6	0	0	0	117.7	Y426	N424-Y426 PolarHBondContact O-N 2.89Å
425	Q	54.2	Low	42.5	Very low	127 Å²	127	106.8 Å²	106.8	59%	0.593	52%	0.524	S	S	*	.				89.6	-11.2	82.3	-79.1	-177.5	-12.3	0	0	117	I437	Q425-I437 PolarHBondContact O-N 3.04Å
426	Y	55.7	Low	43.8	Very low	74 Å²	74	99.2 Å²	99.2	29%	0.29	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	144.8	-175.6	-55	-100.6	0	0	0	114.6	N424 R434 V435 P436	N424-Y426 PolarHBondContact O-N 2.89Å; Y426-R434 VanDerWaalsContact CD1-CD 3.5Å; Y426-R434 HydrophobicContact CD1-CG 3.4Å; Y426-R434 HydrophobicContact CD2-CG 4.29Å; Y426-R434 HydrophobicContact CE1-CG 4.25Å; Y426-R434 VanDerWaalsContact CG-CD 3.49Å; Y426-R434 HydrophobicContact CG-CG 3.4Å; Y426-R434 VanDerWaalsContact CG-CG 3.4Å; Y426-R434 VanDerWaalsContact CG-CZ 3.5Å; Y426-R434 VanDerWaalsContact CZ-CZ 3.47Å; Y426-R434 VanDerWaalsContact CZ-NH1 3.34Å; Y426-V435 CarbonylContact C-O 3.4Å; Y426-V435 WeakPolarHBondContact CA-O 3.39Å; Y426-V435 WeakPolarHBondContact CB-O 3.37Å; Y426-P436 VanDerWaalsContact CD1-CA 3.45Å; Y426-P436 HydrophobicContact CD1-CB 3.86Å; Y426-P436 HydrophobicContact CE1-CB 3.85Å
427	W	52.5	Low	45.1	Very low	49 Å²	49	99.9 Å²	99.9	19%	0.186	50%	0.502	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	168.7	159.2	-65	118.8	0	0	0	111.2	I419 R434 V435 I437 L841 L875	I419-W427 HydrophobicContact CD1-CH2 3.88Å; I419-W427 HydrophobicContact CD1-CZ2 4.09Å; W427-R434 CarbonylContact O-C 3.53Å; W427-R434 WeakPolarHBondContact O-CA 3.48Å; W427-V435 HydrophobicContact CB-CB 3.99Å; W427-V435 HydrophobicContact CB-CG1 4.29Å; W427-V435 PolarHBondContact N-O 2.86Å; W427-V435 PolarHBondContact O-N 3.08Å; W427-I437 HydrophobicContact CD2-CD1 3.81Å; W427-I437 HydrophobicContact CD2-CG1 4.38Å; W427-I437 HydrophobicContact CG-CD1 3.93Å; W427-I437 HydrophobicContact CG-CG1 3.97Å; W427-I437 HydrophobicContact CZ2-CD1 3.85Å; W427-L841 HydrophobicContact CZ2-CD1 3.59Å; W427-L875 HydrophobicContact CD2-CD2 3.66Å; W427-L875 HydrophobicContact CE3-CD2 3.2Å; W427-L875 HydrophobicContact CE3-CG 4.35Å; W427-L875 HydrophobicContact CH2-CB 4.24Å; W427-L875 HydrophobicContact CH2-CD1 3.47Å; W427-L875 VanDerWaalsContact CH2-CD1 3.47Å; W427-L875 HydrophobicContact CH2-CD2 3.59Å; W427-L875 HydrophobicContact CH2-CG 3.91Å; W427-L875 HydrophobicContact CZ2-CD1 3.75Å; W427-L875 HydrophobicContact CZ2-CD2 3.98Å; W427-L875 HydrophobicContact CZ2-CG 4.43Å; W427-L875 HydrophobicContact CZ3-CB 4.02Å; W427-L875 HydrophobicContact CZ3-CD1 3.96Å; W427-L875 HydrophobicContact CZ3-CD2 3.16Å; W427-L875 HydrophobicContact CZ3-CG 3.85Å
428	Y	49.5	Very low	46.7	Very low	132 Å²	132	97.5 Å²	97.5	52%	0.518	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	132.3	170.7	-66.1	-92.8	0	0	0	109.6	Q433 R434 I873	Y428-Q433 CarbonylContact C-O 3.6Å; Y428-Q433 VanDerWaalsContact CA-O 3.24Å; Y428-Q433 WeakPolarHBondContact CA-O 3.37Å; Y428-R434 HydrophobicContact CD1-CB 4.33Å; Y428-R434 HydrophobicContact CE1-CB 4.04Å; Y428-R434 HydrophobicContact CE1-CG 3.96Å; Y428-I873 VanDerWaalsContact O-CG2 3.31Å; Y428-I873 WeakPolarHBondContact O-CG2 3.47Å
429	T	50.9	Low	48.2	Very low	14 Å²	14	98.3 Å²	98.3	9%	0.086	49%	0.49	C	S	.	.			trans	-68.4	167.3	171.9	65.2	0	0	0	0	110.6	T431 G432 Q433 V435 I873	T429-T431 PolarHBondContact O-N 2.79Å; T429-T431 VanDerWaalsContact O-N 3.15Å; T429-T431 PolarHBondContact OG1-N 3.32Å; T429-T431 PolarHBondContact OG1-OG1 3.3Å; T429-G432 WeakPolarHBondContact O-CA 3.32Å; T429-G432 PolarHBondContact O-N 2.85Å; T429-G432 PolarHBondContact OG1-N 2.8Å; T429-Q433 HydrophobicContact CG2-CB 4.07Å; T429-Q433 PolarHBondContact N-O 2.79Å; T429-Q433 WeakPolarHBondContact OG1-CB 3.38Å; T429-Q433 PolarHBondContact OG1-N 3.02Å; T429-V435 HydrophobicContact CG2-CG2 3.63Å; T429-I873 HydrophobicContact CG2-CD1 4.14Å
430	C	46.2	Very low	49.3	Very low	129 Å²	129	93 Å²	93	87%	0.872	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-20.5	169.5	57	0	0	0	0	113.2	G432	C430-G432 VanDerWaalsContact C-N 3.3Å
431	T	53.7	Low	50.8	Low	99 Å²	99	91.8 Å²	91.8	61%	0.607	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	3.4	173	55.9	0	0	0	0	113.2	T429 Q433	T429-T431 PolarHBondContact O-N 2.79Å; T429-T431 VanDerWaalsContact O-N 3.15Å; T429-T431 PolarHBondContact OG1-N 3.32Å; T429-T431 PolarHBondContact OG1-OG1 3.3Å; T431-Q433 VanDerWaalsContact C-N 3.29Å; T431-Q433 PolarHBondContact O-N 2.73Å
432	G	52	Low	52.3	Low	53 Å²	53	87.8 Å²	87.8	55%	0.546	44%	0.44	S	S	.	.			trans	77.5	7.8	-179.6	0	0	0	0	0	114.5	T429 C430	T429-G432 WeakPolarHBondContact O-CA 3.32Å; T429-G432 PolarHBondContact O-N 2.85Å; T429-G432 PolarHBondContact OG1-N 2.8Å; C430-G432 VanDerWaalsContact C-N 3.3Å
433	Q	49.6	Very low	53.9	Low	65 Å²	65	78.8 Å²	78.8	30%	0.304	41%	0.406	S	S	.	.			trans	-74.6	136.3	177.4	-64.5	-173.8	6.4	0	0	110.7	Y428 T429 T431	Y428-Q433 CarbonylContact C-O 3.6Å; Y428-Q433 VanDerWaalsContact CA-O 3.24Å; Y428-Q433 WeakPolarHBondContact CA-O 3.37Å; T429-Q433 HydrophobicContact CG2-CB 4.07Å; T429-Q433 PolarHBondContact N-O 2.79Å; T429-Q433 WeakPolarHBondContact OG1-CB 3.38Å; T429-Q433 PolarHBondContact OG1-N 3.02Å; T431-Q433 VanDerWaalsContact C-N 3.29Å; T431-Q433 PolarHBondContact O-N 2.73Å
434	R	52.6	Low	55.3	Low	114 Å²	114	73.5 Å²	73.5	43%	0.43	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	124.5	-178.8	-164.4	-172.7	-162.5	-160.6	2.4	110.1	Y426 W427 Y428	Y426-R434 VanDerWaalsContact CD1-CD 3.5Å; Y426-R434 HydrophobicContact CD1-CG 3.4Å; Y426-R434 HydrophobicContact CD2-CG 4.29Å; Y426-R434 HydrophobicContact CE1-CG 4.25Å; Y426-R434 VanDerWaalsContact CG-CD 3.49Å; Y426-R434 HydrophobicContact CG-CG 3.4Å; Y426-R434 VanDerWaalsContact CG-CG 3.4Å; Y426-R434 VanDerWaalsContact CG-CZ 3.5Å; Y426-R434 VanDerWaalsContact CZ-CZ 3.47Å; Y426-R434 VanDerWaalsContact CZ-NH1 3.34Å; W427-R434 CarbonylContact O-C 3.53Å; W427-R434 WeakPolarHBondContact O-CA 3.48Å; Y428-R434 HydrophobicContact CD1-CB 4.33Å; Y428-R434 HydrophobicContact CE1-CB 4.04Å; Y428-R434 HydrophobicContact CE1-CG 3.96Å
435	V	51.2	Low	56.3	Low	14 Å²	14	73 Å²	73	9%	0.085	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	114.5	-177.5	167.1	0	0	0	0	109	Y426 W427 T429 L866	Y426-V435 CarbonylContact C-O 3.4Å; Y426-V435 WeakPolarHBondContact CA-O 3.39Å; Y426-V435 WeakPolarHBondContact CB-O 3.37Å; W427-V435 HydrophobicContact CB-CB 3.99Å; W427-V435 HydrophobicContact CB-CG1 4.29Å; W427-V435 PolarHBondContact N-O 2.86Å; W427-V435 PolarHBondContact O-N 3.08Å; T429-V435 HydrophobicContact CG2-CG2 3.63Å; V435-L866 HydrophobicContact CB-CD1 4.34Å; V435-L866 HydrophobicContact CG1-CD1 4.01Å; V435-L866 HydrophobicContact CG1-CD2 3.78Å; V435-L866 HydrophobicContact CG1-CG 4.13Å; V435-L866 HydrophobicContact CG2-CD1 3.95Å; V435-L866 HydrophobicContact CG2-CD2 4.26Å; V435-L866 HydrophobicContact CG2-CG 3.82Å
436	P	53.6	Low	57.1	Low	40 Å²	40	70.2 Å²	70.2	26%	0.26	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	138.5	-178.8	26.6	-32.9	0	0	0	111.3	Y426 F438	Y426-P436 VanDerWaalsContact CD1-CA 3.45Å; Y426-P436 HydrophobicContact CD1-CB 3.86Å; Y426-P436 HydrophobicContact CE1-CB 3.85Å; P436-F438 HydrophobicContact CG-CE2 4.24Å; P436-F438 HydrophobicContact CG-CZ 4.19Å
437	I	58.3	Low	57.8	Low	64 Å²	64	67.8 Å²	67.8	33%	0.328	35%	0.345	S	S	.	.			trans	-91.6	107.4	171.2	-50.5	-177.3	0	0	0	107.5	Q425 W427	Q425-I437 PolarHBondContact O-N 3.04Å; W427-I437 HydrophobicContact CD2-CD1 3.81Å; W427-I437 HydrophobicContact CD2-CG1 4.38Å; W427-I437 HydrophobicContact CG-CD1 3.93Å; W427-I437 HydrophobicContact CG-CG1 3.97Å; W427-I437 HydrophobicContact CZ2-CD1 3.85Å
438	F	57.9	Low	58.7	Low	87 Å²	87	66 Å²	66	38%	0.382	34%	0.34	S	S	.	.			trans	-73.4	136.5	175.1	-67.2	-74	0	0	0	110.8	P436 Q442 R443	P436-F438 HydrophobicContact CG-CE2 4.24Å; P436-F438 HydrophobicContact CG-CZ 4.19Å; F438-Q442 HydrophobicContact CB-CB 4.46Å; F438-R443 HydrophobicContact CB-CG 3.4Å; F438-R443 HydrophobicContact CG-CG 4.42Å
439	P	61	Low	59.6	Low	63 Å²	63	63.1 Å²	63.1	41%	0.409	33%	0.329	S	S	.	.			trans	-52.8	152.9	166.1	-24	33.2	0	0	0	111.9	E441 Q442 R443	P439-E441 VanDerWaalsContact C-N 3.28Å; P439-E441 PolarHBondContact O-N 3.13Å; P439-Q442 HydrophobicContact CB-CG 4.48Å; P439-Q442 HydrophobicContact CG-CG 4.44Å; P439-Q442 PolarHBondContact O-N 2.77Å; P439-Q442 VanDerWaalsContact O-N 3.16Å; P439-R443 PolarHBondContact O-N 3.1Å
440	L	60.6	Low	60.6	Low	11 Å²	11	63.3 Å²	63.3	6%	0.058	33%	0.329	C	S	.	.	H	α-helix	trans	-58.4	-40.6	-176.5	-178.2	71.2	0	0	0	111.9	Q442 R443 Q444 Q772 I797	L440-Q442 VanDerWaalsContact C-N 3.33Å; L440-Q442 PolarHBondContact O-N 2.61Å; L440-R443 PolarHBondContact O-N 3.13Å; L440-Q444 HydrophobicContact CD1-CG 4.36Å; L440-Q444 HydrophobicContact CG-CG 4.19Å; L440-Q444 WeakPolarHBondContact O-CB 3.17Å; L440-Q444 VanDerWaalsContact O-CG 3.32Å; L440-Q444 WeakPolarHBondContact O-CG 3.43Å; L440-Q444 PolarHBondContact O-N 3.41Å; L440-Q772 HydrophobicContact CB-CG 4.28Å; L440-Q772 HydrophobicContact CD2-CB 4.45Å; L440-Q772 HydrophobicContact CD2-CG 3.78Å; L440-Q772 HydrophobicContact CG-CG 4.42Å; L440-I797 HydrophobicContact CD2-CB 4.46Å; L440-I797 HydrophobicContact CD2-CD1 3.82Å; L440-I797 HydrophobicContact CD2-CG1 4.27Å
441	E	63.3	Low	61.8	Low	111 Å²	111	57.4 Å²	57.4	52%	0.519	29%	0.289	S	S	.	.	H	α-helix	trans	-63.9	-41.2	-179.3	-54.3	91.3	178.3	0	0	111.3	P439 Q444 R445	P439-E441 VanDerWaalsContact C-N 3.28Å; P439-E441 PolarHBondContact O-N 3.13Å; E441-Q444 PolarHBondContact O-N 3.1Å; E441-R445 WeakPolarHBondContact O-CB 3.21Å; E441-R445 VanDerWaalsContact O-CG 3.29Å; E441-R445 WeakPolarHBondContact O-CG 3.37Å; E441-R445 PolarHBondContact O-N 3.41Å
442	Q	64.5	Low	62.6	Low	104 Å²	104	55.7 Å²	55.7	49%	0.486	28%	0.278	S	S	.	.	H	α-helix	trans	-66.8	-38.9	177.4	-67.8	-175.8	3.1	0	0	111.7	F438 P439 L440 R445 L446	F438-Q442 HydrophobicContact CB-CB 4.46Å; P439-Q442 HydrophobicContact CB-CG 4.48Å; P439-Q442 HydrophobicContact CG-CG 4.44Å; P439-Q442 PolarHBondContact O-N 2.77Å; P439-Q442 VanDerWaalsContact O-N 3.16Å; L440-Q442 VanDerWaalsContact C-N 3.33Å; L440-Q442 PolarHBondContact O-N 2.61Å; Q442-R445 PolarHBondContact O-N 3.28Å; Q442-L446 WeakPolarHBondContact O-CB 3.48Å; Q442-L446 PolarHBondContact O-N 3.07Å
443	R	66	Low	63.3	Low	32 Å²	32	53.2 Å²	53.2	12%	0.121	25%	0.253	C	S	.	.	H	α-helix	trans	-64.3	-46.6	174	-75.3	-167.3	-49.9	-144.2	-6.1	111.8	F438 P439 L440 R445 L446 F447 S771 G794	F438-R443 HydrophobicContact CB-CG 3.4Å; F438-R443 HydrophobicContact CG-CG 4.42Å; P439-R443 PolarHBondContact O-N 3.1Å; L440-R443 PolarHBondContact O-N 3.13Å; R443-R445 VanDerWaalsContact C-N 3.3Å; R443-R445 PolarHBondContact O-N 3.22Å; R443-L446 WeakPolarHBondContact O-CB 3.07Å; R443-L446 PolarHBondContact O-N 3.04Å; R443-L446 VanDerWaalsContact O-N 3.14Å; R443-F447 HydrophobicContact CB-CD2 4.24Å; R443-F447 HydrophobicContact CB-CE2 3.8Å; R443-F447 HydrophobicContact CG-CE2 4.36Å; R443-F447 WeakPolarHBondContact O-CD2 3.47Å; R443-F447 WeakPolarHBondContact O-CG 3.12Å; R443-F447 PolarHBondContact O-N 3.43Å; R443-S771 VanDerWaalsContact CZ-OG 3.29Å; R443-S771 PolarHBondContact NH1-OG 3.1Å; R443-S771 VanDerWaalsContact NH1-OG 3.17Å; R443-S771 VanDerWaalsContact NH2-CB 3.25Å; R443-S771 PolarHBondContact NH2-OG 3.36Å; R443-G794 VanDerWaalsContact CD-O 3.23Å; R443-G794 WeakPolarHBondContact CD-O 3.35Å; R443-G794 PolarHBondContact NE-O 2.82Å
444	Q	64.3	Low	64.1	Low	38 Å²	38	55.7 Å²	55.7	18%	0.178	27%	0.268	C	S	.	.	H	α-helix	trans	-56.8	-47.2	176.7	-75.2	162.1	-18.1	0	0	111.1	L440 E441 L446 F447 N448 P796 I797	L440-Q444 HydrophobicContact CD1-CG 4.36Å; L440-Q444 HydrophobicContact CG-CG 4.19Å; L440-Q444 WeakPolarHBondContact O-CB 3.17Å; L440-Q444 VanDerWaalsContact O-CG 3.32Å; L440-Q444 WeakPolarHBondContact O-CG 3.43Å; L440-Q444 PolarHBondContact O-N 3.41Å; E441-Q444 PolarHBondContact O-N 3.1Å; Q444-L446 PolarHBondContact O-N 3.22Å; Q444-F447 PolarHBondContact O-N 3.03Å; Q444-N448 WeakPolarHBondContact O-CB 3.45Å; Q444-N448 PolarHBondContact O-N 3.22Å; Q444-P796 HydrophobicContact CB-CB 3.92Å; Q444-P796 HydrophobicContact CG-CB 3.49Å; Q444-P796 VanDerWaalsContact CG-CB 3.49Å; Q444-I797 PolarHBondContact NE2-O 2.9Å
445	R	65.2	Low	64.6	Low	114 Å²	114	52.7 Å²	52.7	43%	0.43	26%	0.26	S	S	.	.	H	α-helix	trans	-59.8	-45.1	175.1	-72.3	177.2	-173.2	-173.8	0.9	111.9	E441 Q442 R443 N448 Y449 D457	E441-R445 WeakPolarHBondContact O-CB 3.21Å; E441-R445 VanDerWaalsContact O-CG 3.29Å; E441-R445 WeakPolarHBondContact O-CG 3.37Å; E441-R445 PolarHBondContact O-N 3.41Å; Q442-R445 PolarHBondContact O-N 3.28Å; R443-R445 VanDerWaalsContact C-N 3.3Å; R443-R445 PolarHBondContact O-N 3.22Å; R445-N448 PolarHBondContact O-N 3.48Å; R445-Y449 VanDerWaalsContact O-CB 3.25Å; R445-Y449 WeakPolarHBondContact O-CB 3.4Å; R445-Y449 PolarHBondContact O-N 3.19Å; R445-D457 IonicContact CZ-OD1 3.46Å; R445-D457 IonicContact CZ-OD2 3.25Å; R445-D457 VanDerWaalsContact CZ-OD2 3.25Å; R445-D457 IonicContact NE-OD1 3.99Å; R445-D457 IonicContact NE-OD2 3.66Å; R445-D457 IonicContact NH1-OD1 3.45Å; R445-D457 PolarHBondContact NH1-OD1 3.24Å; R445-D457 IonicContact NH1-OD2 2.63Å; R445-D457 PolarHBondContact NH1-OD2 3.28Å; R445-D457 IonicContact NH2-OD1 3.63Å
446	L	70.1	Confident	65	Low	67 Å²	67	57.5 Å²	57.5	35%	0.351	29%	0.285	S	S	.	.	H	α-helix	trans	-60.9	-45.7	177.8	178.2	63.1	0	0	0	111.7	Q442 R443 Q444 Y449 L450	Q442-L446 WeakPolarHBondContact O-CB 3.48Å; Q442-L446 PolarHBondContact O-N 3.07Å; R443-L446 WeakPolarHBondContact O-CB 3.07Å; R443-L446 PolarHBondContact O-N 3.04Å; R443-L446 VanDerWaalsContact O-N 3.14Å; Q444-L446 PolarHBondContact O-N 3.22Å; L446-Y449 PolarHBondContact O-N 3.03Å; L446-L450 HydrophobicContact CD1-CD1 4.08Å; L446-L450 HydrophobicContact CD1-CG 4.21Å; L446-L450 HydrophobicContact CG-CD1 3.91Å; L446-L450 HydrophobicContact CG-CG 4.46Å; L446-L450 WeakPolarHBondContact O-CB 3.31Å; L446-L450 VanDerWaalsContact O-CG 3.22Å; L446-L450 WeakPolarHBondContact O-CG 3.14Å; L446-L450 PolarHBondContact O-N 3.04Å
447	F	71.7	Confident	65	Low	23 Å²	23	60.3 Å²	60.3	10%	0.101	30%	0.298	C	S	.	.	H	α-helix	trans	-71	-38.5	-179.7	-63.3	-52.5	0	0	0	112.7	R443 Q444 Y449 L450 T451 W469 F472 G794 L795 P796	R443-F447 HydrophobicContact CB-CD2 4.24Å; R443-F447 HydrophobicContact CB-CE2 3.8Å; R443-F447 HydrophobicContact CG-CE2 4.36Å; R443-F447 WeakPolarHBondContact O-CD2 3.47Å; R443-F447 WeakPolarHBondContact O-CG 3.12Å; R443-F447 PolarHBondContact O-N 3.43Å; Q444-F447 PolarHBondContact O-N 3.03Å; F447-Y449 VanDerWaalsContact C-N 3.32Å; F447-Y449 PolarHBondContact O-N 2.81Å; F447-L450 HydrophobicContact CD1-CD1 4.12Å; F447-L450 HydrophobicContact CE1-CD1 4.49Å; F447-L450 PolarHBondContact O-N 2.8Å; F447-T451 WeakPolarHBondContact O-CB 3.09Å; F447-T451 VanDerWaalsContact O-CG2 3.24Å; F447-T451 WeakPolarHBondContact O-CG2 3.31Å; F447-T451 PolarHBondContact O-N 2.85Å; F447-T451 PolarHBondContact O-OG1 2.73Å; F447-W469 HydrophobicContact CB-CH2 3.89Å; F447-F472 HydrophobicContact CD1-CE1 4.34Å; F447-F472 AromaticContact CD1-CE2 3.62Å; F447-F472 HydrophobicContact CD1-CE2 3.62Å; F447-F472 AromaticContact CD1-CZ 3.42Å; F447-F472 HydrophobicContact CD1-CZ 3.42Å; F447-F472 VanDerWaalsContact CD1-CZ 3.42Å; F447-F472 AromaticContact CE1-CE2 3.98Å; F447-F472 HydrophobicContact CE1-CE2 3.98Å; F447-F472 AromaticContact CE1-CZ 3.59Å; F447-F472 HydrophobicContact CE1-CZ 3.59Å; F447-F472 HydrophobicContact CG-CZ 4.37Å; F447-G794 WeakPolarHBondContact CE2-O 3.22Å; F447-L795 HydrophobicContact CD1-CD2 3.52Å; F447-L795 HydrophobicContact CD2-CB 4.42Å; F447-L795 HydrophobicContact CD2-CD2 3.63Å; F447-L795 HydrophobicContact CE1-CD2 3.38Å; F447-L795 HydrophobicContact CE2-CB 4.47Å; F447-L795 HydrophobicContact CE2-CD2 3.51Å; F447-L795 HydrophobicContact CE2-CG 4.35Å; F447-L795 HydrophobicContact CG-CD2 3.65Å; F447-L795 HydrophobicContact CZ-CD2 3.38Å; F447-L795 HydrophobicContact CZ-CG 4.42Å; F447-P796 HydrophobicContact CB-CG 3.85Å; F447-P796 HydrophobicContact CD2-CG 4.38Å
448	N	70.3	Confident	64.7	Low	13 Å²	13	61.1 Å²	61.1	7%	0.07	30%	0.302	C	S	.	.	H	α-helix	trans	-59.9	-45.5	170.4	-76.1	-8	0	0	0	110.8	Q444 R445 L450 T451 T452 L456 W469 L798	Q444-N448 WeakPolarHBondContact O-CB 3.45Å; Q444-N448 PolarHBondContact O-N 3.22Å; R445-N448 PolarHBondContact O-N 3.48Å; N448-L450 PolarHBondContact O-N 3.27Å; N448-T451 PolarHBondContact O-N 2.89Å; N448-T451 PolarHBondContact O-OG1 2.81Å; N448-T452 WeakPolarHBondContact O-CB 3.45Å; N448-T452 PolarHBondContact O-N 3.48Å; N448-T452 PolarHBondContact O-OG1 3.48Å; N448-L456 HydrophobicContact CB-CD1 3.78Å; N448-W469 WeakPolarHBondContact OD1-CZ2 3.44Å; N448-L798 WeakPolarHBondContact OD1-CD1 3.26Å
449	Y	68.9	Low	64.1	Low	71 Å²	71	66.9 Å²	66.9	28%	0.278	33%	0.33	S	S	.	.	H	α-helix	trans	-60.7	-47.5	176.6	178.6	-107.9	0	0	0	111.6	R445 L446 F447 T451 G453 L454 N455 F464	R445-Y449 VanDerWaalsContact O-CB 3.25Å; R445-Y449 WeakPolarHBondContact O-CB 3.4Å; R445-Y449 PolarHBondContact O-N 3.19Å; L446-Y449 PolarHBondContact O-N 3.03Å; F447-Y449 VanDerWaalsContact C-N 3.32Å; F447-Y449 PolarHBondContact O-N 2.81Å; Y449-T451 VanDerWaalsContact C-N 3.3Å; Y449-T451 PolarHBondContact O-N 3.11Å; Y449-G453 WeakPolarHBondContact CE2-O 3.24Å; Y449-G453 WeakPolarHBondContact O-CA 3.15Å; Y449-G453 PolarHBondContact O-N 3.19Å; Y449-L454 WeakPolarHBondContact CA-O 3.38Å; Y449-N455 HydrophobicContact CD2-CB 4.01Å; Y449-N455 HydrophobicContact CE2-CB 4.33Å; Y449-F464 HydrophobicContact CE1-CD1 4.15Å; Y449-F464 HydrophobicContact CE1-CE1 4.29Å; Y449-F464 HydrophobicContact CE2-CD1 4.1Å; Y449-F464 AromaticContact CZ-CD1 3.8Å; Y449-F464 WeakPolarHBondContact O-CE1 3.43Å
450	L	71.9	Confident	63.4	Low	17 Å²	17	69.5 Å²	69.5	9%	0.089	34%	0.339	C	S	.	.	H	α-helix	trans	-62.4	-36.6	179	-73.4	166.9	0	0	0	112.8	L446 F447 N448 G466 I467 F472 L846 L854	L446-L450 HydrophobicContact CD1-CD1 4.08Å; L446-L450 HydrophobicContact CD1-CG 4.21Å; L446-L450 HydrophobicContact CG-CD1 3.91Å; L446-L450 HydrophobicContact CG-CG 4.46Å; L446-L450 WeakPolarHBondContact O-CB 3.31Å; L446-L450 VanDerWaalsContact O-CG 3.22Å; L446-L450 WeakPolarHBondContact O-CG 3.14Å; L446-L450 PolarHBondContact O-N 3.04Å; F447-L450 HydrophobicContact CD1-CD1 4.12Å; F447-L450 HydrophobicContact CE1-CD1 4.49Å; F447-L450 PolarHBondContact O-N 2.8Å; N448-L450 PolarHBondContact O-N 3.27Å; L450-G466 CarbonylContact O-C 3.52Å; L450-G466 WeakPolarHBondContact O-CA 3.26Å; L450-I467 WeakPolarHBondContact O-CG1 3.45Å; L450-I467 PolarHBondContact O-N 3.32Å; L450-F472 HydrophobicContact CD1-CE2 4.39Å; L450-L846 HydrophobicContact CD1-CD1 3.7Å; L450-L846 HydrophobicContact CD2-CD1 4.4Å; L450-L854 HydrophobicContact CD2-CD1 4.2Å
451	T	71.7	Confident	62.7	Low	6 Å²	6	74.1 Å²	74.1	4%	0.037	37%	0.373	C	S	.	.	H	α-helix	trans	-87.5	-36.5	-174	53.1	0	0	0	0	113.3	F447 N448 Y449 G466 T468 W469 F472	F447-T451 WeakPolarHBondContact O-CB 3.09Å; F447-T451 VanDerWaalsContact O-CG2 3.24Å; F447-T451 WeakPolarHBondContact O-CG2 3.31Å; F447-T451 PolarHBondContact O-N 2.85Å; F447-T451 PolarHBondContact O-OG1 2.73Å; N448-T451 PolarHBondContact O-N 2.89Å; N448-T451 PolarHBondContact O-OG1 2.81Å; Y449-T451 VanDerWaalsContact C-N 3.3Å; Y449-T451 PolarHBondContact O-N 3.11Å; T451-G466 CarbonylContact O-C 3.51Å; T451-T468 WeakPolarHBondContact O-CA 3.2Å; T451-T468 PolarHBondContact O-N 2.87Å; T451-T468 VanDerWaalsContact O-N 3.09Å; T451-W469 HydrophobicContact CG2-CD2 3.63Å; T451-W469 HydrophobicContact CG2-CE3 3.82Å; T451-W469 HydrophobicContact CG2-CG 4Å; T451-W469 HydrophobicContact CG2-CH2 4.1Å; T451-W469 HydrophobicContact CG2-CZ2 4.03Å; T451-W469 HydrophobicContact CG2-CZ3 4.04Å; T451-W469 VanDerWaalsContact OG1-CE2 3.27Å; T451-W469 WeakPolarHBondContact OG1-CZ2 3.36Å; T451-W469 PolarHBondContact OG1-NE1 2.95Å; T451-F472 HydrophobicContact CG2-CB 3.85Å; T451-F472 HydrophobicContact CG2-CD2 4.14Å; T451-F472 HydrophobicContact CG2-CG 3.97Å
452	T	71	Confident	62	Low	62 Å²	62	72.1 Å²	72.1	38%	0.38	37%	0.365	S	S	.	.	H	α-helix	trans	-103.8	-22.7	-176.4	67.5	0	0	0	0	113.4	N448 L454	N448-T452 WeakPolarHBondContact O-CB 3.45Å; N448-T452 PolarHBondContact O-N 3.48Å; N448-T452 PolarHBondContact O-OG1 3.48Å; T452-L454 PolarHBondContact O-N 3.32Å; T452-L454 PolarHBondContact OG1-N 3.16Å; T452-L454 VanDerWaalsContact OG1-N 3.13Å
453	G	66.8	Low	61.6	Low	2 Å²	2	76.5 Å²	76.5	2%	0.021	38%	0.383	C	S	.	.			trans	79.5	-4.9	-170.7	0	0	0	0	0	115.4	Y449 F464	Y449-G453 WeakPolarHBondContact CE2-O 3.24Å; Y449-G453 WeakPolarHBondContact O-CA 3.15Å; Y449-G453 PolarHBondContact O-N 3.19Å; G453-F464 VanDerWaalsContact CA-CD1 3.43Å; G453-F464 WeakPolarHBondContact CA-O 3.31Å
454	L	65.7	Low	61.4	Low	117 Å²	117	76.6 Å²	76.6	61%	0.613	38%	0.384	S	S	*	.			trans	-93.9	127.1	-176.3	-58.9	176.1	0	0	0	110.5	Y449 T452	Y449-L454 WeakPolarHBondContact CA-O 3.38Å; T452-L454 PolarHBondContact O-N 3.32Å; T452-L454 PolarHBondContact OG1-N 3.16Å; T452-L454 VanDerWaalsContact OG1-N 3.13Å
455	N	62.8	Low	61.4	Low	51 Å²	51	83.3 Å²	83.3	27%	0.273	42%	0.416	S	S	.	.			trans	-88.3	113.4	169.3	-172	-19.2	0	0	0	107.8	Y449 D457 I458	Y449-N455 HydrophobicContact CD2-CB 4.01Å; Y449-N455 HydrophobicContact CE2-CB 4.33Å; N455-D457 PolarHBondContact O-N 3.34Å; N455-D457 PolarHBondContact OD1-N 3.33Å; N455-I458 PolarHBondContact O-N 2.99Å; N455-I458 VanDerWaalsContact O-N 3.14Å
456	L	59.2	Low	61.3	Low	115 Å²	115	78.5 Å²	78.5	60%	0.602	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-21.9	-175.6	-86.6	81.4	0	0	0	113.7	N448	N448-L456 HydrophobicContact CB-CD1 3.78Å
457	D	53.8	Low	61.2	Low	99 Å²	99	76.1 Å²	76.1	53%	0.529	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-11.9	-177.6	-62.4	-40.9	0	0	0	114	R445 N455	R445-D457 IonicContact CZ-OD1 3.46Å; R445-D457 IonicContact CZ-OD2 3.25Å; R445-D457 VanDerWaalsContact CZ-OD2 3.25Å; R445-D457 IonicContact NE-OD1 3.99Å; R445-D457 IonicContact NE-OD2 3.66Å; R445-D457 IonicContact NH1-OD1 3.45Å; R445-D457 PolarHBondContact NH1-OD1 3.24Å; R445-D457 IonicContact NH1-OD2 2.63Å; R445-D457 PolarHBondContact NH1-OD2 3.28Å; R445-D457 IonicContact NH2-OD1 3.63Å; N455-D457 PolarHBondContact O-N 3.34Å; N455-D457 PolarHBondContact OD1-N 3.33Å
458	I	52.9	Low	61.4	Low	80 Å²	80	79 Å²	79	41%	0.41	41%	0.408	S	S	.	.			trans	-133.4	105.8	-171.5	-53.7	179.1	0	0	0	108.8	N455 I460	N455-I458 PolarHBondContact O-N 2.99Å; N455-I458 VanDerWaalsContact O-N 3.14Å; I458-I460 HydrophobicContact CG2-CB 3.7Å; I458-I460 HydrophobicContact CG2-CD1 3.51Å; I458-I460 HydrophobicContact CG2-CG1 3.48Å; I458-I460 VanDerWaalsContact CG2-CG1 3.48Å; I458-I460 PolarHBondContact O-N 2.82Å
459	Q	44.9	Very low	61.5	Low	209 Å²	209	79.3 Å²	79.3	98%	0.977	41%	0.409	S	S	*	.			trans	-66.3	21	173.5	-73.9	-173	-5.1	0	0	114.2
460	I	46.5	Very low	61.6	Low	117 Å²	117	77.1 Å²	77.1	60%	0.6	41%	0.407	S	S	*	.	S	Bend	trans	-85.7	119.3	173	-59.9	172.7	0	0	0	105.7	I458 N462	I458-I460 HydrophobicContact CG2-CB 3.7Å; I458-I460 HydrophobicContact CG2-CD1 3.51Å; I458-I460 HydrophobicContact CG2-CG1 3.48Å; I458-I460 VanDerWaalsContact CG2-CG1 3.48Å; I458-I460 PolarHBondContact O-N 2.82Å; I460-N462 PolarHBondContact O-N 3.43Å
461	S	45.2	Very low	61.5	Low	109 Å²	109	83.8 Å²	83.8	76%	0.762	43%	0.431	S	S	*	.			trans	-61.5	92.8	171	64.5	0	0	0	0	108.3	K463	S461-K463 PolarHBondContact O-N 3.33Å
462	N	49.5	Very low	61.4	Low	68 Å²	68	83.5 Å²	83.5	36%	0.364	43%	0.43	S	S	.	.			trans	-67.6	135.4	170.3	-76.5	-26.9	0	0	0	106.8	I460 F464	I460-N462 PolarHBondContact O-N 3.43Å; N462-F464 PolarHBondContact O-N 3.21Å
463	K	55.3	Low	61.6	Low	197 Å²	197	80.6 Å²	80.6	86%	0.857	41%	0.412	S	S	*	.	S	Bend	trans	-63.4	14.7	177.8	-64.2	-178.9	176.7	-178.3	0	113.9	S461	S461-K463 PolarHBondContact O-N 3.33Å
464	F	61.7	Low	61.9	Low	33 Å²	33	83 Å²	83	15%	0.145	42%	0.423	C	S	.	.			trans	-97.6	113.4	-171.6	177.5	-112.2	0	0	0	109.4	Y449 G453 N462 L854	Y449-F464 HydrophobicContact CE1-CD1 4.15Å; Y449-F464 HydrophobicContact CE1-CE1 4.29Å; Y449-F464 HydrophobicContact CE2-CD1 4.1Å; Y449-F464 AromaticContact CZ-CD1 3.8Å; Y449-F464 WeakPolarHBondContact O-CE1 3.43Å; G453-F464 VanDerWaalsContact CA-CD1 3.43Å; G453-F464 WeakPolarHBondContact CA-O 3.31Å; N462-F464 PolarHBondContact O-N 3.21Å; F464-L854 WeakPolarHBondContact CD2-O 3.24Å; F464-L854 HydrophobicContact CE2-CB 3.61Å; F464-L854 HydrophobicContact CE2-CD2 3.39Å; F464-L854 HydrophobicContact CE2-CG 3.98Å; F464-L854 WeakPolarHBondContact CE2-O 3.46Å; F464-L854 HydrophobicContact CZ-CB 3.99Å; F464-L854 HydrophobicContact CZ-CD1 4.29Å; F464-L854 HydrophobicContact CZ-CD2 3.61Å; F464-L854 HydrophobicContact CZ-CG 4.11Å
465	Q	63.4	Low	62	Low	180 Å²	180	78.5 Å²	78.5	84%	0.841	40%	0.401	S	S	*	.			trans	-84.4	113.8	169.3	-168.6	171.8	9.2	0	0	107.7
466	G	64.1	Low	62.4	Low	13 Å²	13	76.4 Å²	76.4	13%	0.134	39%	0.39	C	S	.	.			trans	-59.6	160.7	179.3	0	0	0	0	0	113.2	L450 T451 T468	L450-G466 CarbonylContact O-C 3.52Å; L450-G466 WeakPolarHBondContact O-CA 3.26Å; T451-G466 CarbonylContact O-C 3.51Å; G466-T468 PolarHBondContact O-N 2.93Å
467	I	68.1	Low	63.2	Low	16 Å²	16	70.9 Å²	70.9	8%	0.082	36%	0.362	C	S	.	.			trans	-76.5	0.2	-177	50.2	169.6	0	0	0	115.2	L450 R471 F472 L846 I850 L854	L450-I467 WeakPolarHBondContact O-CG1 3.45Å; L450-I467 PolarHBondContact O-N 3.32Å; I467-R471 WeakPolarHBondContact O-CB 3.36Å; I467-F472 HydrophobicContact CD1-CB 4.06Å; I467-F472 HydrophobicContact CD1-CD2 3.89Å; I467-F472 HydrophobicContact CD1-CG 4.49Å; I467-F472 HydrophobicContact CG1-CB 4.47Å; I467-L846 HydrophobicContact CD1-CD2 3.62Å; I467-I850 HydrophobicContact CD1-CG2 4.22Å; I467-I850 HydrophobicContact CG2-CG2 4.24Å; I467-L854 HydrophobicContact CD1-CD1 4.4Å; I467-L854 HydrophobicContact CG2-CD1 3.59Å; I467-L854 HydrophobicContact CG2-CD2 3.31Å; I467-L854 HydrophobicContact CG2-CG 3.95Å
468	T	75.2	Confident	64	Low	84 Å²	84	73.9 Å²	73.9	52%	0.515	37%	0.365	S	S	.	.			trans	67.1	151.9	-166.5	78.4	0	0	0	0	113.7	T451 G466 R471 F472	T451-T468 WeakPolarHBondContact O-CA 3.2Å; T451-T468 PolarHBondContact O-N 2.87Å; T451-T468 VanDerWaalsContact O-N 3.09Å; G466-T468 PolarHBondContact O-N 2.93Å; T468-R471 PolarHBondContact OG1-N 3.23Å; T468-F472 WeakPolarHBondContact O-CB 3.47Å; T468-F472 PolarHBondContact O-N 2.84Å
469	W	72.6	Confident	64.8	Low	20 Å²	20	71.6 Å²	71.6	8%	0.076	36%	0.356	C	S	.	.	H	α-helix	trans	-62.6	-42	176.1	-84.5	105.8	0	0	0	113.4	F447 N448 T451 R471 F472 I473 I576 M577 I580 P796	F447-W469 HydrophobicContact CB-CH2 3.89Å; N448-W469 WeakPolarHBondContact OD1-CZ2 3.44Å; T451-W469 HydrophobicContact CG2-CD2 3.63Å; T451-W469 HydrophobicContact CG2-CE3 3.82Å; T451-W469 HydrophobicContact CG2-CG 4Å; T451-W469 HydrophobicContact CG2-CH2 4.1Å; T451-W469 HydrophobicContact CG2-CZ2 4.03Å; T451-W469 HydrophobicContact CG2-CZ3 4.04Å; T451-W469 VanDerWaalsContact OG1-CE2 3.27Å; T451-W469 WeakPolarHBondContact OG1-CZ2 3.36Å; T451-W469 PolarHBondContact OG1-NE1 2.95Å; W469-R471 PolarHBondContact O-N 3.43Å; W469-F472 HydrophobicContact CE3-CD1 4.44Å; W469-F472 HydrophobicContact CZ3-CD1 4.21Å; W469-F472 WeakPolarHBondContact O-CB 3.14Å; W469-F472 PolarHBondContact O-N 3.25Å; W469-I473 HydrophobicContact CE3-CD1 4.46Å; W469-I473 WeakPolarHBondContact O-CD1 3.07Å; W469-I473 VanDerWaalsContact O-CG1 3.31Å; W469-I473 WeakPolarHBondContact O-CG1 3.36Å; W469-I473 PolarHBondContact O-N 3.15Å; W469-I576 HydrophobicContact CG-CG2 4.43Å; W469-M577 HydrophobicContact CD2-CE 3.93Å; W469-M577 HydrophobicContact CE3-CE 3.58Å; W469-M577 HydrophobicContact CH2-CE 3.68Å; W469-M577 HydrophobicContact CZ2-CE 3.93Å; W469-M577 HydrophobicContact CZ3-CE 3.45Å; W469-M577 VanDerWaalsContact CZ3-CE 3.45Å; W469-I580 HydrophobicContact CB-CD1 3.37Å; W469-I580 HydrophobicContact CB-CG1 4.1Å; W469-I580 HydrophobicContact CD2-CD1 3.96Å; W469-I580 HydrophobicContact CE3-CD1 4.47Å; W469-I580 HydrophobicContact CG-CD1 3.46Å; W469-I580 VanDerWaalsContact CG-CD1 3.46Å; W469-P796 HydrophobicContact CH2-CG 3.22Å; W469-P796 HydrophobicContact CZ2-CG 3.88Å; W469-P796 HydrophobicContact CZ3-CG 4.14Å
470	G	71.1	Confident	66.4	Low	24 Å²	24	61.9 Å²	61.9	25%	0.247	31%	0.31	C	S	.	.	H	α-helix	trans	-59.6	-48.7	-179.7	0	0	0	0	0	112.2	F472 I473 E474	G470-F472 VanDerWaalsContact C-N 3.29Å; G470-F472 PolarHBondContact O-N 3.24Å; G470-I473 PolarHBondContact O-N 3.09Å; G470-E474 WeakPolarHBondContact O-CB 3.36Å; G470-E474 PolarHBondContact O-N 2.76Å
471	R	69.6	Low	68.1	Low	157 Å²	157	56.4 Å²	56.4	59%	0.592	28%	0.283	S	S	*	.	H	α-helix	trans	-65.6	-34.3	177.6	-161.8	174.3	-173.9	163.9	5.8	112.8	I467 T468 W469 S475	I467-R471 WeakPolarHBondContact O-CB 3.36Å; T468-R471 PolarHBondContact OG1-N 3.23Å; W469-R471 PolarHBondContact O-N 3.43Å; R471-S475 WeakPolarHBondContact O-CB 3.3Å; R471-S475 PolarHBondContact O-N 2.79Å; R471-S475 PolarHBondContact O-OG 3.35Å
472	F	69.5	Low	69.5	Low	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-62.3	-50.3	174.8	-177.6	-80.6	0	0	0	110.8	F447 L450 T451 I467 T468 W469 G470 E474 S475 A476 L795 V844 L846	F447-F472 HydrophobicContact CD1-CE1 4.34Å; F447-F472 AromaticContact CD1-CE2 3.62Å; F447-F472 HydrophobicContact CD1-CE2 3.62Å; F447-F472 AromaticContact CD1-CZ 3.42Å; F447-F472 HydrophobicContact CD1-CZ 3.42Å; F447-F472 VanDerWaalsContact CD1-CZ 3.42Å; F447-F472 AromaticContact CE1-CE2 3.98Å; F447-F472 HydrophobicContact CE1-CE2 3.98Å; F447-F472 AromaticContact CE1-CZ 3.59Å; F447-F472 HydrophobicContact CE1-CZ 3.59Å; F447-F472 HydrophobicContact CG-CZ 4.37Å; L450-F472 HydrophobicContact CD1-CE2 4.39Å; T451-F472 HydrophobicContact CG2-CB 3.85Å; T451-F472 HydrophobicContact CG2-CD2 4.14Å; T451-F472 HydrophobicContact CG2-CG 3.97Å; I467-F472 HydrophobicContact CD1-CB 4.06Å; I467-F472 HydrophobicContact CD1-CD2 3.89Å; I467-F472 HydrophobicContact CD1-CG 4.49Å; I467-F472 HydrophobicContact CG1-CB 4.47Å; T468-F472 WeakPolarHBondContact O-CB 3.47Å; T468-F472 PolarHBondContact O-N 2.84Å; W469-F472 HydrophobicContact CE3-CD1 4.44Å; W469-F472 HydrophobicContact CZ3-CD1 4.21Å; W469-F472 WeakPolarHBondContact O-CB 3.14Å; W469-F472 PolarHBondContact O-N 3.25Å; G470-F472 VanDerWaalsContact C-N 3.29Å; G470-F472 PolarHBondContact O-N 3.24Å; F472-E474 VanDerWaalsContact C-N 3.33Å; F472-E474 PolarHBondContact O-N 3.08Å; F472-S475 PolarHBondContact O-N 3.41Å; F472-A476 WeakPolarHBondContact O-CB 3.31Å; F472-A476 PolarHBondContact O-N 3.29Å; F472-L795 HydrophobicContact CD1-CD2 4.41Å; F472-L795 HydrophobicContact CE1-CD1 3.68Å; F472-L795 HydrophobicContact CE1-CD2 3.17Å; F472-L795 HydrophobicContact CE1-CG 4.1Å; F472-L795 HydrophobicContact CE2-CD2 4.48Å; F472-L795 HydrophobicContact CZ-CD1 4.4Å; F472-L795 HydrophobicContact CZ-CD2 3.22Å; F472-L795 HydrophobicContact CZ-CG 4.47Å; F472-V844 HydrophobicContact CE1-CG1 3.61Å; F472-V844 HydrophobicContact CE2-CG1 4.26Å; F472-V844 HydrophobicContact CZ-CB 4.36Å; F472-V844 HydrophobicContact CZ-CG1 3.4Å; F472-V844 VanDerWaalsContact CZ-CG1 3.4Å; F472-L846 HydrophobicContact CD2-CD2 3.92Å; F472-L846 HydrophobicContact CE2-CD1 4.13Å; F472-L846 HydrophobicContact CE2-CD2 3.92Å; F472-L846 HydrophobicContact CE2-CG 4.21Å
473	I	75.8	Confident	70.8	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-63.9	-39.3	178.2	-68.1	158	0	0	0	111.2	W469 G470 A476 T477 L516 V519 L520 N523 I580	W469-I473 HydrophobicContact CE3-CD1 4.46Å; W469-I473 WeakPolarHBondContact O-CD1 3.07Å; W469-I473 VanDerWaalsContact O-CG1 3.31Å; W469-I473 WeakPolarHBondContact O-CG1 3.36Å; W469-I473 PolarHBondContact O-N 3.15Å; G470-I473 PolarHBondContact O-N 3.09Å; I473-A476 WeakPolarHBondContact O-CB 3.33Å; I473-A476 PolarHBondContact O-N 3.28Å; I473-T477 WeakPolarHBondContact O-CB 3.41Å; I473-T477 PolarHBondContact O-N 3.42Å; I473-T477 PolarHBondContact O-OG1 3Å; I473-L516 HydrophobicContact CD1-CD1 4.11Å; I473-L516 HydrophobicContact CG1-CD1 4.01Å; I473-V519 HydrophobicContact CD1-CG1 3.65Å; I473-V519 HydrophobicContact CG2-CG1 4.38Å; I473-L520 HydrophobicContact CG2-CD1 4.41Å; I473-N523 HydrophobicContact CG2-CB 4.1Å; I473-I580 HydrophobicContact CD1-CG2 3.65Å
474	E	72.7	Confident	72.1	Confident	54 Å²	54	44.5 Å²	44.5	25%	0.252	22%	0.22	S	C	.	.	H	α-helix	trans	-59.5	-47.8	175	-164.7	68.2	179.6	0	0	112.3	G470 F472 A476 T477 R478 N523 R526 Y527	G470-E474 WeakPolarHBondContact O-CB 3.36Å; G470-E474 PolarHBondContact O-N 2.76Å; F472-E474 VanDerWaalsContact C-N 3.33Å; F472-E474 PolarHBondContact O-N 3.08Å; E474-A476 VanDerWaalsContact C-N 3.31Å; E474-A476 PolarHBondContact O-N 2.82Å; E474-T477 PolarHBondContact O-N 3.06Å; E474-R478 PolarHBondContact O-N 3.06Å; E474-N523 PolarHBondContact OE2-ND2 3.38Å; E474-N523 PolarHBondContact OE2-OD1 3.39Å; E474-R526 IonicContact OE1-CZ 2.71Å; E474-R526 IonicContact OE1-NH1 2.72Å; E474-R526 IonicContact OE1-NH2 3.07Å; E474-R526 PolarHBondContact OE1-NH2 3.19Å; E474-R526 IonicContact OE2-CZ 3.6Å; E474-R526 IonicContact OE2-NH2 2.77Å; E474-R526 PolarHBondContact OE2-NH2 2.82Å; E474-Y527 VanDerWaalsContact OE1-CE2 3.22Å; E474-Y527 WeakPolarHBondContact OE1-CE2 3.45Å; E474-Y527 PolarHBondContact OE1-OH 2.67Å
475	S	68.4	Low	72.9	Confident	22 Å²	22	45.2 Å²	45.2	15%	0.154	22%	0.224	C	C	.	.	H	α-helix	trans	-65.7	-36.2	178.7	-55	0	0	0	0	111.5	R471 F472 P479 I850	R471-S475 WeakPolarHBondContact O-CB 3.3Å; R471-S475 PolarHBondContact O-N 2.79Å; R471-S475 PolarHBondContact O-OG 3.35Å; F472-S475 PolarHBondContact O-N 3.41Å; S475-P479 WeakPolarHBondContact O-CD 3.43Å; S475-I850 WeakPolarHBondContact OG-CD1 3.44Å
476	A	71	Confident	73.6	Confident	6 Å²	6	39.8 Å²	39.8	5%	0.05	20%	0.2	C	C	.	.	H	α-helix	trans	-65.7	-36.5	175.4	0	0	0	0	0	113.2	F472 I473 E474 P479 V844	F472-A476 WeakPolarHBondContact O-CB 3.31Å; F472-A476 PolarHBondContact O-N 3.29Å; I473-A476 WeakPolarHBondContact O-CB 3.33Å; I473-A476 PolarHBondContact O-N 3.28Å; E474-A476 VanDerWaalsContact C-N 3.31Å; E474-A476 PolarHBondContact O-N 2.82Å; A476-P479 WeakPolarHBondContact O-CD 3.34Å; A476-V844 HydrophobicContact CB-CB 4.24Å; A476-V844 HydrophobicContact CB-CG1 3.27Å; A476-V844 HydrophobicContact CB-CG2 4.28Å
477	T	75.6	Confident	74.2	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-73.9	-38.6	-172	-58.3	0	0	0	0	111.7	I473 E474 L480 I481 L520 N523 V524 Y527	I473-T477 WeakPolarHBondContact O-CB 3.41Å; I473-T477 PolarHBondContact O-N 3.42Å; I473-T477 PolarHBondContact O-OG1 3Å; E474-T477 PolarHBondContact O-N 3.06Å; T477-L480 WeakPolarHBondContact O-CB 3.47Å; T477-L480 PolarHBondContact O-N 3.24Å; T477-I481 HydrophobicContact CG2-CD1 4.4Å; T477-I481 HydrophobicContact CG2-CG1 3.8Å; T477-I481 WeakPolarHBondContact O-CG1 3.38Å; T477-I481 PolarHBondContact O-N 2.81Å; T477-L520 WeakPolarHBondContact OG1-CD1 3.47Å; T477-N523 HydrophobicContact CG2-CB 4.29Å; T477-N523 PolarHBondContact OG1-ND2 2.88Å; T477-V524 HydrophobicContact CG2-CG2 3.8Å; T477-Y527 HydrophobicContact CG2-CD2 3.56Å; T477-Y527 HydrophobicContact CG2-CE2 3.96Å; T477-Y527 HydrophobicContact CG2-CG 4.24Å
478	R	71.7	Confident	74.7	Confident	161 Å²	161	41 Å²	41	61%	0.608	20%	0.202	S	C	*	.	H	α-helix	trans	-57	-51.3	-173.6	-166	158.8	-176.3	-142.3	-0.2	115.5	E474 L480 I481 D482	E474-R478 PolarHBondContact O-N 3.06Å; R478-L480 VanDerWaalsContact C-N 3.27Å; R478-L480 PolarHBondContact O-N 2.85Å; R478-I481 PolarHBondContact O-N 2.66Å; R478-I481 VanDerWaalsContact O-N 3.16Å; R478-D482 PolarHBondContact O-N 3.42Å
479	P	68.7	Low	74.6	Confident	33 Å²	33	43.1 Å²	43.1	21%	0.214	20%	0.201	C	C	.	.	H	α-helix	trans	-64.7	-31.8	177.9	25.6	-34.4	0	0	0	112.6	S475 A476 N483	S475-P479 WeakPolarHBondContact O-CD 3.43Å; A476-P479 WeakPolarHBondContact O-CD 3.34Å; P479-N483 PolarHBondContact O-N 3.05Å; P479-N483 PolarHBondContact O-ND2 3.27Å
480	L	78.2	Confident	74.6	Confident	4 Å²	4	46.6 Å²	46.6	2%	0.021	22%	0.217	C	C	.	.	H	α-helix	trans	-63.3	-46	173.5	168.1	60.2	0	0	0	110.6	T477 R478 D482 N483 I484 L520 V524 L768 I791 I842	T477-L480 WeakPolarHBondContact O-CB 3.47Å; T477-L480 PolarHBondContact O-N 3.24Å; R478-L480 VanDerWaalsContact C-N 3.27Å; R478-L480 PolarHBondContact O-N 2.85Å; L480-D482 PolarHBondContact O-N 2.71Å; L480-N483 PolarHBondContact O-N 2.84Å; L480-I484 HydrophobicContact CD1-CD1 3.65Å; L480-I484 HydrophobicContact CD1-CG1 3.92Å; L480-I484 HydrophobicContact CG-CD1 3.78Å; L480-I484 HydrophobicContact CG-CG1 4.42Å; L480-I484 VanDerWaalsContact O-CG1 3.29Å; L480-I484 WeakPolarHBondContact O-CG1 3.15Å; L480-I484 PolarHBondContact O-N 2.81Å; L480-L520 HydrophobicContact CD2-CD2 4.16Å; L480-V524 HydrophobicContact CD2-CG2 3.7Å; L480-V524 HydrophobicContact CG-CG2 4.47Å; L480-L768 HydrophobicContact CD2-CD2 4.24Å; L480-I791 HydrophobicContact CD1-CD1 3.6Å; L480-I842 HydrophobicContact CB-CD1 4.33Å; L480-I842 HydrophobicContact CD1-CD1 3.48Å; L480-I842 VanDerWaalsContact CD1-CD1 3.48Å; L480-I842 HydrophobicContact CG-CD1 4.41Å
481	I	82	Confident	74.4	Confident	3 Å²	3	46.6 Å²	46.6	2%	0.015	21%	0.212	C	C	.	.	H	α-helix	trans	-60.9	-45.6	178.5	-67.7	-67.9	0	0	0	111.7	T477 R478 N483 I484 M485 V524 Y527 L528 L531	T477-I481 HydrophobicContact CG2-CD1 4.4Å; T477-I481 HydrophobicContact CG2-CG1 3.8Å; T477-I481 WeakPolarHBondContact O-CG1 3.38Å; T477-I481 PolarHBondContact O-N 2.81Å; R478-I481 PolarHBondContact O-N 2.66Å; R478-I481 VanDerWaalsContact O-N 3.16Å; I481-N483 VanDerWaalsContact C-N 3.27Å; I481-N483 PolarHBondContact O-N 2.76Å; I481-I484 PolarHBondContact O-N 3.09Å; I481-M485 HydrophobicContact CG2-CG 4.18Å; I481-M485 WeakPolarHBondContact O-CB 3.32Å; I481-M485 VanDerWaalsContact O-CG 3.26Å; I481-M485 WeakPolarHBondContact O-CG 3.27Å; I481-M485 PolarHBondContact O-N 3.47Å; I481-V524 HydrophobicContact CD1-CB 4.34Å; I481-V524 HydrophobicContact CD1-CG1 3.92Å; I481-V524 HydrophobicContact CD1-CG2 4.35Å; I481-Y527 HydrophobicContact CD1-CG 4.47Å; I481-Y527 HydrophobicContact CG1-CD1 4.44Å; I481-Y527 HydrophobicContact CG1-CG 4.05Å; I481-L528 HydrophobicContact CD1-CD1 4.42Å; I481-L528 HydrophobicContact CD1-CD2 3.84Å; I481-L528 HydrophobicContact CD1-CG 3.7Å; I481-L531 HydrophobicContact CG2-CD1 3.32Å
482	D	75.9	Confident	74	Confident	86 Å²	86	39.8 Å²	39.8	46%	0.46	19%	0.187	S	C	.	.	H	α-helix	trans	-58.2	-42.8	178.9	-68.7	-26.3	0	0	0	111.2	R478 L480 M485 I486	R478-D482 PolarHBondContact O-N 3.42Å; L480-D482 PolarHBondContact O-N 2.71Å; D482-M485 PolarHBondContact O-N 3.14Å; D482-I486 WeakPolarHBondContact O-CD1 3.43Å; D482-I486 VanDerWaalsContact O-CG1 3.25Å; D482-I486 WeakPolarHBondContact O-CG1 3.23Å; D482-I486 PolarHBondContact O-N 3.21Å
483	N	75.4	Confident	73.2	Confident	36 Å²	36	49.5 Å²	49.5	19%	0.193	22%	0.224	C	C	.	.	H	α-helix	trans	-68	-42.7	176.7	-80.3	-76.8	0	0	0	113	P479 L480 I481 M485 I486 H487 M872	P479-N483 PolarHBondContact O-N 3.05Å; P479-N483 PolarHBondContact O-ND2 3.27Å; L480-N483 PolarHBondContact O-N 2.84Å; I481-N483 VanDerWaalsContact C-N 3.27Å; I481-N483 PolarHBondContact O-N 2.76Å; N483-M485 VanDerWaalsContact C-N 3.3Å; N483-M485 PolarHBondContact O-N 2.85Å; N483-I486 PolarHBondContact O-N 3.14Å; N483-H487 PolarHBondContact O-N 3.46Å; N483-H487 VanDerWaalsContact O-N 3.16Å; N483-H487 PolarHBondContact O-ND1 2.98Å; N483-M872 HydrophobicContact CB-SD 3.37Å; N483-M872 WeakPolarHBondContact CB-SD 3.38Å; N483-M872 PolarHBondContact OD1-SD 3.45Å
484	I	83.8	Confident	71.6	Confident	1 Å²	1	53.5 Å²	53.5	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-57.8	-46.7	174	-71.6	172.1	0	0	0	109.8	L480 I481 I486 H487 L488 V524 L528 L726 I728 I766	L480-I484 HydrophobicContact CD1-CD1 3.65Å; L480-I484 HydrophobicContact CD1-CG1 3.92Å; L480-I484 HydrophobicContact CG-CD1 3.78Å; L480-I484 HydrophobicContact CG-CG1 4.42Å; L480-I484 VanDerWaalsContact O-CG1 3.29Å; L480-I484 WeakPolarHBondContact O-CG1 3.15Å; L480-I484 PolarHBondContact O-N 2.81Å; I481-I484 PolarHBondContact O-N 3.09Å; I484-I486 PolarHBondContact O-N 3.44Å; I484-H487 PolarHBondContact O-N 2.84Å; I484-H487 VanDerWaalsContact O-N 3.16Å; I484-L488 HydrophobicContact CG2-CD1 3.63Å; I484-L488 HydrophobicContact CG2-CG 4.02Å; I484-L488 WeakPolarHBondContact O-CB 3.38Å; I484-L488 WeakPolarHBondContact O-CG 3.16Å; I484-L488 PolarHBondContact O-N 3.25Å; I484-V524 HydrophobicContact CD1-CG1 4.34Å; I484-L528 HydrophobicContact CG2-CD2 4Å; I484-L726 HydrophobicContact CG2-CD2 3.53Å; I484-I728 HydrophobicContact CD1-CD1 4.23Å; I484-I766 HydrophobicContact CD1-CD1 3.74Å; I484-I766 HydrophobicContact CG1-CD1 3.57Å
485	M	79.2	Confident	69.7	Low	48 Å²	48	57.5 Å²	57.5	24%	0.236	28%	0.279	C	S	.	.	H	α-helix	trans	-67.4	-35.6	-177.7	-70.9	-58.8	-70.8	0	0	112.6	I481 D482 N483 H487 L488 R489 L528 L531	I481-M485 HydrophobicContact CG2-CG 4.18Å; I481-M485 WeakPolarHBondContact O-CB 3.32Å; I481-M485 VanDerWaalsContact O-CG 3.26Å; I481-M485 WeakPolarHBondContact O-CG 3.27Å; I481-M485 PolarHBondContact O-N 3.47Å; D482-M485 PolarHBondContact O-N 3.14Å; N483-M485 VanDerWaalsContact C-N 3.3Å; N483-M485 PolarHBondContact O-N 2.85Å; M485-H487 VanDerWaalsContact C-N 3.33Å; M485-L488 HydrophobicContact SD-CD1 4.11Å; M485-R489 VanDerWaalsContact O-CB 3.31Å; M485-R489 WeakPolarHBondContact O-CB 3.47Å; M485-R489 WeakPolarHBondContact O-CG 3.31Å; M485-R489 PolarHBondContact O-N 3.3Å; M485-R489 PolarHBondContact O-NE 2.96Å; M485-L528 HydrophobicContact SD-CD2 4.02Å; M485-L531 HydrophobicContact CE-CB 4.32Å; M485-L531 HydrophobicContact CE-CD1 4.49Å; M485-L531 HydrophobicContact CG-CD1 3.91Å; M485-L531 HydrophobicContact SD-CD1 4.26Å
486	I	77.1	Confident	68.2	Low	66 Å²	66	64.7 Å²	64.7	34%	0.338	31%	0.31	S	S	.	.	H	α-helix	trans	-59.9	-45.3	171.4	-70.2	163	0	0	0	110.5	D482 N483 I484 R489 Q490	D482-I486 WeakPolarHBondContact O-CD1 3.43Å; D482-I486 VanDerWaalsContact O-CG1 3.25Å; D482-I486 WeakPolarHBondContact O-CG1 3.23Å; D482-I486 PolarHBondContact O-N 3.21Å; N483-I486 PolarHBondContact O-N 3.14Å; I484-I486 PolarHBondContact O-N 3.44Å; I486-R489 WeakPolarHBondContact O-CB 3.44Å; I486-R489 PolarHBondContact O-N 3.45Å; I486-Q490 WeakPolarHBondContact O-CG 3.36Å; I486-Q490 PolarHBondContact O-N 3.44Å
487	H	77.3	Confident	66.6	Low	49 Å²	49	75.3 Å²	75.3	23%	0.227	35%	0.349	C	S	.	.	H	α-helix	trans	-74.3	-42.1	-177.9	-70.8	77.9	0	0	0	112.5	N483 I484 M485 R489 Q490 L491 F787 W789	N483-H487 PolarHBondContact O-N 3.46Å; N483-H487 VanDerWaalsContact O-N 3.16Å; N483-H487 PolarHBondContact O-ND1 2.98Å; I484-H487 PolarHBondContact O-N 2.84Å; I484-H487 VanDerWaalsContact O-N 3.16Å; M485-H487 VanDerWaalsContact C-N 3.33Å; H487-R489 PolarHBondContact O-N 2.81Å; H487-Q490 CarbonylContact O-C 3.56Å; H487-Q490 WeakPolarHBondContact O-CA 3.46Å; H487-Q490 WeakPolarHBondContact O-CB 3.49Å; H487-Q490 PolarHBondContact O-N 2.68Å; H487-L491 WeakPolarHBondContact O-CG 3.48Å; H487-L491 PolarHBondContact O-N 3.04Å; H487-F787 HydrophobicContact CB-CE1 4Å; H487-F787 HydrophobicContact CB-CZ 4.3Å; H487-W789 HydrophobicContact CB-CH2 4.26Å; H487-W789 HydrophobicContact CB-CZ2 4.43Å; H487-W789 AromaticContact CD2-CH2 3.98Å; H487-W789 AromaticContact CD2-CZ2 3.5Å; H487-W789 VanDerWaalsContact CD2-CZ2 3.5Å; H487-W789 WeakPolarHBondContact CD2-CZ2 3.27Å; H487-W789 AromaticContact CE1-CH2 3.47Å; H487-W789 VanDerWaalsContact CE1-CH2 3.47Å; H487-W789 WeakPolarHBondContact CE1-CH2 3.49Å; H487-W789 AromaticContact CE1-CZ2 3.47Å; H487-W789 VanDerWaalsContact CE1-CZ2 3.47Å; H487-W789 WeakPolarHBondContact CE1-CZ2 3.27Å; H487-W789 AromaticContact CG-CH2 3.57Å; H487-W789 AromaticContact CG-CZ2 3.58Å; H487-W789 AromaticContact ND1-CH2 3.26Å; H487-W789 VanDerWaalsContact ND1-CH2 3.26Å; H487-W789 WeakPolarHBondContact ND1-CH2 3.41Å; H487-W789 AromaticContact ND1-CZ2 3.59Å; H487-W789 AromaticContact NE2-CH2 3.94Å; H487-W789 AromaticContact NE2-CZ2 3.45Å; H487-W789 WeakPolarHBondContact NE2-CZ2 3.44Å
488	L	78.1	Confident	65.2	Low	5 Å²	5	81 Å²	81	3%	0.026	38%	0.378	C	S	.	.	H	α-helix	trans	-57.3	-37.2	172.1	-76.8	178.5	0	0	0	112	I484 M485 Q490 L491 N492 R501 A504 I506 D725 L726	I484-L488 HydrophobicContact CG2-CD1 3.63Å; I484-L488 HydrophobicContact CG2-CG 4.02Å; I484-L488 WeakPolarHBondContact O-CB 3.38Å; I484-L488 WeakPolarHBondContact O-CG 3.16Å; I484-L488 PolarHBondContact O-N 3.25Å; M485-L488 HydrophobicContact SD-CD1 4.11Å; L488-Q490 VanDerWaalsContact C-N 3.33Å; L488-L491 PolarHBondContact O-N 3.3Å; L488-N492 PolarHBondContact O-N 2.99Å; L488-R501 PolarHBondContact O-NH2 3.18Å; L488-R501 VanDerWaalsContact O-NH2 3.09Å; L488-A504 HydrophobicContact CD1-CB 4.4Å; L488-I506 HydrophobicContact CD1-CD1 3.84Å; L488-D725 HydrophobicContact CD2-CB 4.28Å; L488-L726 HydrophobicContact CD1-CD2 4.2Å; L488-L726 HydrophobicContact CD2-CB 3.9Å; L488-L726 HydrophobicContact CD2-CD2 4.27Å; L488-L726 HydrophobicContact CG-CD2 4.38Å
489	R	73.3	Confident	64.2	Low	130 Å²	130	79.7 Å²	79.7	49%	0.491	38%	0.382	S	S	.	.	H	α-helix	trans	-62.4	-41.2	173.2	-80.2	-173.9	-71	171.4	-5.6	111.6	M485 I486 H487 R501	M485-R489 VanDerWaalsContact O-CB 3.31Å; M485-R489 WeakPolarHBondContact O-CB 3.47Å; M485-R489 WeakPolarHBondContact O-CG 3.31Å; M485-R489 PolarHBondContact O-N 3.3Å; M485-R489 PolarHBondContact O-NE 2.96Å; I486-R489 WeakPolarHBondContact O-CB 3.44Å; I486-R489 PolarHBondContact O-N 3.45Å; H487-R489 PolarHBondContact O-N 2.81Å; R489-R501 PolarHBondContact O-NH2 2.79Å
490	Q	71.8	Confident	63.4	Low	92 Å²	92	82 Å²	82	43%	0.43	39%	0.389	S	S	.	.	H	α-helix	trans	-70	-38.6	176.9	-66.4	174.4	15.6	0	0	113.1	I486 H487 L488 N492 R493	I486-Q490 WeakPolarHBondContact O-CG 3.36Å; I486-Q490 PolarHBondContact O-N 3.44Å; H487-Q490 CarbonylContact O-C 3.56Å; H487-Q490 WeakPolarHBondContact O-CA 3.46Å; H487-Q490 WeakPolarHBondContact O-CB 3.49Å; H487-Q490 PolarHBondContact O-N 2.68Å; L488-Q490 VanDerWaalsContact C-N 3.33Å; Q490-N492 PolarHBondContact O-N 2.74Å; Q490-R493 WeakPolarHBondContact O-CB 3.46Å; Q490-R493 WeakPolarHBondContact O-CG 3.23Å; Q490-R493 PolarHBondContact O-N 2.93Å
491	L	68.3	Low	62.5	Low	25 Å²	25	87.6 Å²	87.6	13%	0.131	41%	0.41	C	S	.	.	H	α-helix	trans	-61.1	-41.9	-179.7	-66.7	-160.4	0	0	0	112.3	H487 L488 R493 H786 F787	H487-L491 WeakPolarHBondContact O-CG 3.48Å; H487-L491 PolarHBondContact O-N 3.04Å; L488-L491 PolarHBondContact O-N 3.3Å; L491-R493 PolarHBondContact O-N 3.05Å; L491-H786 HydrophobicContact CD1-CB 4.48Å; L491-H786 HydrophobicContact CD2-CB 3.31Å; L491-F787 HydrophobicContact CD1-CD1 4.34Å; L491-F787 HydrophobicContact CD1-CE1 3.66Å; L491-F787 HydrophobicContact CD1-CZ 4.46Å; L491-F787 HydrophobicContact CD2-CD1 4.07Å; L491-F787 HydrophobicContact CD2-CE1 3.99Å; L491-F787 HydrophobicContact CG-CE1 3.99Å
492	N	60.4	Low	61.7	Low	14 Å²	14	90.8 Å²	90.8	8%	0.075	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	33.6	179.4	-20.2	-41.8	0	0	0	112.5	L488 Q490 T494 R501 R723	L488-N492 PolarHBondContact O-N 2.99Å; Q490-N492 PolarHBondContact O-N 2.74Å; N492-T494 PolarHBondContact O-N 3.05Å; N492-R501 VanDerWaalsContact CB-CZ 3.47Å; N492-R501 PolarHBondContact ND2-NE 3.47Å; N492-R501 PolarHBondContact ND2-NH2 2.9Å; N492-R723 PolarHBondContact OD1-NH2 3.12Å
493	R	52	Low	61.6	Low	203 Å²	203	87.9 Å²	87.9	77%	0.766	42%	0.417	S	S	*	.			trans	-69.6	59.3	160.8	-77.9	-176.8	169.8	167.3	-0.7	110.6	Q490 L491	Q490-R493 WeakPolarHBondContact O-CB 3.46Å; Q490-R493 WeakPolarHBondContact O-CG 3.23Å; Q490-R493 PolarHBondContact O-N 2.93Å; L491-R493 PolarHBondContact O-N 3.05Å
494	T	42.6	Very low	61.8	Low	85 Å²	85	87 Å²	87	52%	0.521	41%	0.414	S	S	.	.			trans	-86.7	134.8	159.1	51.2	0	0	0	0	107.9	N492 Q496	N492-T494 PolarHBondContact O-N 3.05Å; T494-Q496 PolarHBondContact O-N 3.33Å
495	P	33.1	Very low	61.8	Low	138 Å²	138	91.7 Å²	91.7	90%	0.896	43%	0.432	S	S	*	.	S	Bend	trans	-72.3	29.3	-171.5	30.1	-36	0	0	0	114.6
496	Q	37.6	Very low	62.3	Low	173 Å²	173	89.6 Å²	89.6	81%	0.808	42%	0.422	S	S	*	.	S	Bend	trans	-100.2	138.7	-179.9	-65.8	-160.1	-2.2	0	0	111.5	T494	T494-Q496 PolarHBondContact O-N 3.33Å
497	R	36.1	Very low	62.9	Low	230 Å²	230	86.8 Å²	86.8	87%	0.868	41%	0.408	S	S	*	.			trans	-48.7	142.3	-167.5	-64.6	174.5	177.5	170	-2.5	114	I499	R497-I499 PolarHBondContact O-N 2.95Å
498	I	47.1	Very low	63.6	Low	119 Å²	119	84.5 Å²	84.5	61%	0.61	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-7.4	-167.4	-66.9	158.8	0	0	0	116.2	W259	W259-I498 VanDerWaalsContact NE1-CG2 3.32Å
499	I	50.9	Low	64.1	Low	134 Å²	134	84.3 Å²	84.3	69%	0.687	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	-8.4	-166.8	-55.1	171.8	0	0	0	113.4	R497	R497-I499 PolarHBondContact O-N 2.95Å
500	H	51.5	Low	64.6	Low	80 Å²	80	78.1 Å²	78.1	37%	0.37	37%	0.373	S	S	.	.			trans	-129.1	23.6	-172.4	-69.1	-42.7	0	0	0	115.4	P502 R702	H500-P502 WeakPolarHBondContact O-CD 3.44Å; H500-R702 PolarHBondContact ND1-NH2 3.07Å
501	R	59.5	Low	64.6	Low	123 Å²	123	74.6 Å²	74.6	46%	0.464	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-68.7	122.7	-177.9	-169	169.8	174.2	157.6	-2	110.1	L488 R489 N492	L488-R501 PolarHBondContact O-NH2 3.18Å; L488-R501 VanDerWaalsContact O-NH2 3.09Å; R489-R501 PolarHBondContact O-NH2 2.79Å; N492-R501 VanDerWaalsContact CB-CZ 3.47Å; N492-R501 PolarHBondContact ND2-NE 3.47Å; N492-R501 PolarHBondContact ND2-NH2 2.9Å
502	P	65.6	Low	64.6	Low	69 Å²	69	74.5 Å²	74.5	45%	0.448	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-64.8	147	171.1	27.5	-32.7	0	0	0	109.7	H500	H500-P502 WeakPolarHBondContact O-CD 3.44Å
503	P	72.3	Confident	65	Low	26 Å²	26	74.5 Å²	74.5	17%	0.169	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-56.8	147	172.7	24.8	-34.4	0	0	0	110.4	R505 G532 C534	P503-R505 PolarHBondContact O-N 3.41Å; P503-G532 WeakPolarHBondContact CB-O 3.49Å; P503-C534 WeakPolarHBondContact CG-SG 3.35Å
504	A	80.6	Confident	65.8	Low	16 Å²	16	67.5 Å²	67.5	13%	0.132	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-62.6	131.8	178.7	0	0	0	0	0	109.9	L488 I506 A533 C534 D725	L488-A504 HydrophobicContact CD1-CB 4.4Å; A504-I506 HydrophobicContact CB-CD1 4.34Å; A504-I506 HydrophobicContact CB-CG1 4.28Å; A504-A533 HydrophobicContact CB-CB 4.35Å; A504-C534 PolarHBondContact O-N 3.42Å; A504-D725 WeakPolarHBondContact CA-OD2 3.39Å
505	R	84.5	Confident	67.2	Low	100 Å²	100	63.9 Å²	63.9	38%	0.377	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	110.8	-179.9	-58.5	171.6	-168.2	-179.7	2	109.1	P503 R723 D725 L726	P503-R505 PolarHBondContact O-N 3.41Å; R505-R723 WeakPolarHBondContact CD-O 3.24Å; R505-R723 PolarHBondContact NH1-O 3.22Å; R505-D725 PolarHBondContact N-OD2 3.02Å; R505-D725 WeakPolarHBondContact O-CB 3.31Å; R505-D725 PolarHBondContact O-N 3.16Å; R505-L726 PolarHBondContact O-N 3.02Å
506	I	88.7	Confident	69.1	Low	4 Å²	4	57.7 Å²	57.7	2%	0.021	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	127.2	-170.9	-52	-175.2	0	0	0	108.6	L488 A504 I508 L528 A533 C534 V535 L536 L726 I728	L488-I506 HydrophobicContact CD1-CD1 3.84Å; A504-I506 HydrophobicContact CB-CD1 4.34Å; A504-I506 HydrophobicContact CB-CG1 4.28Å; I506-I508 HydrophobicContact CG2-CD1 4.21Å; I506-I508 HydrophobicContact CG2-CG1 3.89Å; I506-L528 HydrophobicContact CD1-CB 4.12Å; I506-L528 HydrophobicContact CD1-CD1 3.75Å; I506-L528 HydrophobicContact CD1-CD2 4.13Å; I506-L528 HydrophobicContact CD1-CG 4.22Å; I506-L528 HydrophobicContact CG2-CD1 4.14Å; I506-A533 HydrophobicContact CD1-CB 3.55Å; I506-A533 HydrophobicContact CG1-CB 4.12Å; I506-C534 PolarHBondContact N-O 3.46Å; I506-V535 HydrophobicContact CB-CG2 4.36Å; I506-V535 CarbonylContact O-C 3.58Å; I506-V535 WeakPolarHBondContact O-CA 3.24Å; I506-L536 PolarHBondContact O-N 3.36Å; I506-L726 CarbonylContact C-O 3.49Å; I506-L726 VanDerWaalsContact CA-O 3.29Å; I506-L726 WeakPolarHBondContact CA-O 3.12Å; I506-L726 HydrophobicContact CD1-CD2 4.39Å; I506-L726 HydrophobicContact CG1-CB 4.26Å; I506-L726 HydrophobicContact CG2-CB 4.21Å; I506-L726 HydrophobicContact CG2-CD2 4.29Å; I506-L726 HydrophobicContact CG2-CG 4.32Å; I506-I728 HydrophobicContact CG2-CD1 4.37Å; I506-I728 HydrophobicContact CG2-CG1 4.45Å
507	L	90.2	Very high	71	Confident	8 Å²	8	49.5 Å²	49.5	4%	0.042	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	129.1	171.7	177	69.6	0	0	0	108.4	V509 L536 V538 V715 I724 L726 A727 I728 W755 L756	L507-V509 HydrophobicContact CG-CG2 4.33Å; L507-L536 CarbonylContact C-O 3.54Å; L507-L536 WeakPolarHBondContact CA-O 3.25Å; L507-L536 HydrophobicContact CD1-CB 3.96Å; L507-L536 HydrophobicContact CD1-CD2 3.95Å; L507-L536 HydrophobicContact CD1-CG 4.07Å; L507-V538 HydrophobicContact CD1-CG2 3.94Å; L507-V715 HydrophobicContact CD1-CG1 4.33Å; L507-I724 HydrophobicContact CB-CG2 4.25Å; L507-I724 HydrophobicContact CD2-CD1 4.35Å; L507-L726 PolarHBondContact N-O 3.45Å; L507-A727 CarbonylContact O-C 3.47Å; L507-A727 VanDerWaalsContact O-CA 3.27Å; L507-A727 WeakPolarHBondContact O-CA 3.36Å; L507-I728 PolarHBondContact O-N 3.32Å; L507-W755 HydrophobicContact CD2-CZ3 4.49Å; L507-L756 HydrophobicContact CD2-CD1 4.24Å; L507-L756 HydrophobicContact CD2-CD2 3.52Å; L507-L756 HydrophobicContact CD2-CG 4.36Å
508	I	91.1	Very high	73.2	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	128.1	178.8	-56.4	-174.8	0	0	0	108.1	I506 V524 A525 L528 V535 L536 L537 V538 I728	I506-I508 HydrophobicContact CG2-CD1 4.21Å; I506-I508 HydrophobicContact CG2-CG1 3.89Å; I508-V524 HydrophobicContact CD1-CG1 4.35Å; I508-A525 VanDerWaalsContact CD1-CA 3.44Å; I508-A525 HydrophobicContact CD1-CB 3.54Å; I508-L528 HydrophobicContact CD1-CD1 4.31Å; I508-V535 HydrophobicContact CD1-CG1 3.59Å; I508-V535 HydrophobicContact CG1-CG1 3.97Å; I508-L536 PolarHBondContact N-O 2.92Å; I508-L537 HydrophobicContact CB-CD1 3.95Å; I508-L537 HydrophobicContact CG2-CD1 3.71Å; I508-L537 CarbonylContact O-C 3.55Å; I508-L537 WeakPolarHBondContact O-CA 3.36Å; I508-V538 PolarHBondContact O-N 2.97Å; I508-I728 CarbonylContact C-O 3.59Å; I508-I728 VanDerWaalsContact CA-O 3.32Å; I508-I728 WeakPolarHBondContact CA-O 3.38Å; I508-I728 HydrophobicContact CD1-CD1 4.13Å; I508-I728 HydrophobicContact CG1-CB 4.07Å; I508-I728 HydrophobicContact CG1-CD1 4.27Å; I508-I728 HydrophobicContact CG1-CG1 4.31Å; I508-I728 HydrophobicContact CG2-CB 4.34Å
509	V	89.3	Confident	74.8	Confident	1 Å²	1	32.9 Å²	32.9	1%	0.006	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	110.8	177.9	-172.9	0	0	0	0	107.3	L507 N511 V538 I728 G730 L752 L756	L507-V509 HydrophobicContact CG-CG2 4.33Å; V509-N511 VanDerWaalsContact CG1-CG 3.48Å; V509-N511 WeakPolarHBondContact CG1-ND2 3.19Å; V509-N511 WeakPolarHBondContact CG1-OD1 3.22Å; V509-V538 HydrophobicContact CG1-CB 4.46Å; V509-V538 HydrophobicContact CG2-CB 4.37Å; V509-V538 HydrophobicContact CG2-CG2 4.47Å; V509-I728 PolarHBondContact N-O 3.14Å; V509-G730 PolarHBondContact O-N 2.83Å; V509-L752 HydrophobicContact CG1-CD2 3.98Å; V509-L752 HydrophobicContact CG2-CD2 3.9Å; V509-L756 HydrophobicContact CG2-CD1 4.42Å
510	S	83.6	Confident	76.5	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.138	C	C	.	.			trans	-79.5	-29.9	-174.9	61.5	0	0	0	0	113.6	G512 A518 S521 V538 Y581	S510-G512 PolarHBondContact O-N 2.67Å; S510-A518 VanDerWaalsContact O-CB 3.31Å; S510-A518 WeakPolarHBondContact O-CB 3.17Å; S510-S521 WeakPolarHBondContact CA-OG 3.44Å; S510-S521 WeakPolarHBondContact CB-OG 3.47Å; S510-V538 PolarHBondContact N-O 2.81Å; S510-V538 VanDerWaalsContact N-O 3.13Å; S510-V538 PolarHBondContact OG-O 2.9Å; S510-Y581 PolarHBondContact OG-OH 3.15Å
511	N	72.7	Confident	78.2	Confident	18 Å²	18	23 Å²	23	10%	0.096	12%	0.12	C	C	.	.			trans	44.3	53.2	-179.1	-64.8	-42	0	0	0	116.3	V509 H515 G730 F753	V509-N511 VanDerWaalsContact CG1-CG 3.48Å; V509-N511 WeakPolarHBondContact CG1-ND2 3.19Å; V509-N511 WeakPolarHBondContact CG1-OD1 3.22Å; N511-H515 PolarHBondContact O-NE2 2.8Å; N511-H515 VanDerWaalsContact O-NE2 3.09Å; N511-G730 WeakPolarHBondContact CB-O 3.48Å; N511-G730 PolarHBondContact ND2-O 3.36Å; N511-F753 VanDerWaalsContact ND2-CE2 3.28Å; N511-F753 WeakPolarHBondContact ND2-CE2 3.23Å; N511-F753 WeakPolarHBondContact ND2-CZ 3.38Å
512	G	67	Low	79.5	Confident	24 Å²	24	17.1 Å²	17.1	25%	0.247	10%	0.098	C	C	.	.			trans	134.6	176.6	168.3	0	0	0	0	0	112.5	S510 A518 Y581	S510-G512 PolarHBondContact O-N 2.67Å; G512-A518 WeakPolarHBondContact O-CB 3.49Å; G512-Y581 WeakPolarHBondContact O-CE2 3.32Å; G512-Y581 VanDerWaalsContact O-CZ 3.28Å
513	S	70.3	Confident	80.4	Confident	13 Å²	13	13.9 Å²	13.9	9%	0.091	8%	0.077	C	C	.	.	S	Bend	trans	-115.2	-15.3	178.1	50.9	0	0	0	0	113.8	M542 M577 S578 Y581	S513-M542 WeakPolarHBondContact OG-CE 3.35Å; S513-M577 CarbonylContact O-C 3.46Å; S513-S578 WeakPolarHBondContact O-CA 3.49Å; S513-S578 PolarHBondContact O-N 3.27Å; S513-Y581 WeakPolarHBondContact O-CB 3.48Å
514	N	67.9	Low	81.1	Confident	56 Å²	56	12.6 Å²	12.6	30%	0.299	7%	0.069	S	C	.	.	S	Bend	trans	-101.5	1.3	-162.7	-61.8	-6.1	0	0	0	114.1	D573 S578	N514-D573 PolarHBondContact ND2-OD2 3.22Å; N514-S578 WeakPolarHBondContact OD1-CB 3.41Å
515	H	71.6	Confident	81.5	Confident	9 Å²	9	11.9 Å²	11.9	4%	0.042	6%	0.062	C	C	.	.	S	Bend	trans	-126	151.9	-179.7	66.8	98.7	0	0	0	110.7	N511 G517 A518 H731 D733	N511-H515 PolarHBondContact O-NE2 2.8Å; N511-H515 VanDerWaalsContact O-NE2 3.09Å; H515-G517 VanDerWaalsContact C-N 3.28Å; H515-G517 PolarHBondContact ND1-N 3Å; H515-G517 PolarHBondContact O-N 3.37Å; H515-A518 PolarHBondContact CE1-N 2.84Å; H515-A518 PolarHBondContact ND1-N 2.76Å; H515-A518 WeakPolarHBondContact NE2-CB 3.28Å; H515-A518 WeakPolarHBondContact O-CB 3.29Å; H515-A518 PolarHBondContact O-N 3.18Å; H515-H731 VanDerWaalsContact CE1-C 3.46Å; H515-H731 PolarHBondContact CE1-O 3.13Å; H515-H731 PolarHBondContact ND1-O 3.45Å; H515-D733 WeakPolarHBondContact CB-OD2 3.15Å
516	L	73.9	Confident	81.4	Confident	9 Å²	9	9.1 Å²	9.1	5%	0.047	5%	0.052	C	C	.	.	H	α-helix	trans	-66.2	-31.5	-175.8	-170.9	80.3	0	0	0	113	I473 A518 V519 L520 M577 L793 L795	I473-L516 HydrophobicContact CD1-CD1 4.11Å; I473-L516 HydrophobicContact CG1-CD1 4.01Å; L516-A518 PolarHBondContact O-N 2.87Å; L516-V519 HydrophobicContact CD1-CB 4.37Å; L516-V519 PolarHBondContact O-N 2.68Å; L516-V519 VanDerWaalsContact O-N 3.08Å; L516-L520 WeakPolarHBondContact O-CB 3.45Å; L516-L520 PolarHBondContact O-N 2.88Å; L516-M577 HydrophobicContact CB-SD 4.49Å; L516-M577 HydrophobicContact CD1-CE 4.01Å; L516-M577 HydrophobicContact CD1-SD 3.75Å; L516-L793 HydrophobicContact CD2-CB 4.48Å; L516-L793 HydrophobicContact CD2-CD1 4.17Å; L516-L793 HydrophobicContact CG-CD1 4.44Å; L516-L795 HydrophobicContact CD2-CB 3.19Å; L516-L795 HydrophobicContact CD2-CD1 3.02Å; L516-L795 HydrophobicContact CD2-CG 3.64Å; L516-L795 HydrophobicContact CG-CD1 4.43Å
517	G	77.5	Confident	81.1	Confident	1 Å²	1	10.8 Å²	10.8	1%	0.01	6%	0.058	C	C	.	.	H	α-helix	trans	-52.5	-39	176.2	0	0	0	0	0	112.2	H515 S521	H515-G517 VanDerWaalsContact C-N 3.28Å; H515-G517 PolarHBondContact ND1-N 3Å; H515-G517 PolarHBondContact O-N 3.37Å; G517-S521 VanDerWaalsContact O-CB 3.32Å; G517-S521 WeakPolarHBondContact O-CB 3.42Å; G517-S521 PolarHBondContact O-N 3.48Å
518	A	81.3	Confident	80.8	Confident	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-67.8	-49.7	175.3	0	0	0	0	0	112.1	S510 G512 H515 L516 L520 S521 L522 Y581	S510-A518 VanDerWaalsContact O-CB 3.31Å; S510-A518 WeakPolarHBondContact O-CB 3.17Å; G512-A518 WeakPolarHBondContact O-CB 3.49Å; H515-A518 PolarHBondContact CE1-N 2.84Å; H515-A518 PolarHBondContact ND1-N 2.76Å; H515-A518 WeakPolarHBondContact NE2-CB 3.28Å; H515-A518 WeakPolarHBondContact O-CB 3.29Å; H515-A518 PolarHBondContact O-N 3.18Å; L516-A518 PolarHBondContact O-N 2.87Å; A518-L520 PolarHBondContact O-N 3.41Å; A518-S521 WeakPolarHBondContact O-CB 3.5Å; A518-S521 PolarHBondContact O-N 3.08Å; A518-S521 VanDerWaalsContact O-N 3.13Å; A518-S521 PolarHBondContact O-OG 3.01Å; A518-L522 PolarHBondContact O-N 3.28Å; A518-L522 VanDerWaalsContact O-N 3.1Å; A518-Y581 HydrophobicContact CB-CD2 3.86Å; A518-Y581 HydrophobicContact CB-CE2 3.64Å
519	V	81.5	Confident	80.2	Confident	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-60	-45.6	179.2	-176.8	0	0	0	0	111.5	I473 L516 S521 L522 N523 M577 I580 Y581 E584	I473-V519 HydrophobicContact CD1-CG1 3.65Å; I473-V519 HydrophobicContact CG2-CG1 4.38Å; L516-V519 HydrophobicContact CD1-CB 4.37Å; L516-V519 PolarHBondContact O-N 2.68Å; L516-V519 VanDerWaalsContact O-N 3.08Å; V519-S521 VanDerWaalsContact C-N 3.29Å; V519-S521 PolarHBondContact O-N 3.41Å; V519-L522 WeakPolarHBondContact O-CB 3.34Å; V519-L522 PolarHBondContact O-N 2.78Å; V519-N523 PolarHBondContact O-N 3.36Å; V519-N523 VanDerWaalsContact O-N 3.1Å; V519-M577 HydrophobicContact CG2-SD 4.45Å; V519-I580 HydrophobicContact CG1-CG2 3.67Å; V519-Y581 HydrophobicContact CG2-CD2 4.05Å; V519-Y581 HydrophobicContact CG2-CG 4.5Å; V519-E584 HydrophobicContact CG1-CG 4.08Å
520	L	85.4	Confident	79.5	Confident	5 Å²	5	15.9 Å²	15.9	3%	0.026	9%	0.091	C	C	.	.	H	α-helix	trans	-63.7	-37.1	176.9	-172.3	68.4	0	0	0	111.2	I473 T477 L480 L516 A518 L522 N523 V524 L768 L793	I473-L520 HydrophobicContact CG2-CD1 4.41Å; T477-L520 WeakPolarHBondContact OG1-CD1 3.47Å; L480-L520 HydrophobicContact CD2-CD2 4.16Å; L516-L520 WeakPolarHBondContact O-CB 3.45Å; L516-L520 PolarHBondContact O-N 2.88Å; A518-L520 PolarHBondContact O-N 3.41Å; L520-L522 VanDerWaalsContact C-N 3.32Å; L520-L522 PolarHBondContact O-N 3.28Å; L520-N523 PolarHBondContact O-N 2.95Å; L520-V524 HydrophobicContact CG-CG2 4.31Å; L520-V524 WeakPolarHBondContact O-CB 3.35Å; L520-V524 VanDerWaalsContact O-CG2 3.23Å; L520-V524 WeakPolarHBondContact O-CG2 3.42Å; L520-V524 PolarHBondContact O-N 3.04Å; L520-L768 HydrophobicContact CB-CD1 4.45Å; L520-L768 HydrophobicContact CD2-CD1 4.26Å; L520-L768 HydrophobicContact CD2-CD2 4.26Å; L520-L768 HydrophobicContact CG-CD1 4.37Å; L520-L793 HydrophobicContact CB-CD1 4.39Å; L520-L793 HydrophobicContact CD2-CD1 3.76Å; L520-L793 HydrophobicContact CD2-CD2 3.38Å; L520-L793 HydrophobicContact CD2-CG 4.23Å
521	S	88.6	Confident	79.2	Confident	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-63.1	-37.1	176.2	79.6	0	0	0	0	112.6	S510 G517 A518 V519 A525	S510-S521 WeakPolarHBondContact CA-OG 3.44Å; S510-S521 WeakPolarHBondContact CB-OG 3.47Å; G517-S521 VanDerWaalsContact O-CB 3.32Å; G517-S521 WeakPolarHBondContact O-CB 3.42Å; G517-S521 PolarHBondContact O-N 3.48Å; A518-S521 WeakPolarHBondContact O-CB 3.5Å; A518-S521 PolarHBondContact O-N 3.08Å; A518-S521 VanDerWaalsContact O-N 3.13Å; A518-S521 PolarHBondContact O-OG 3.01Å; V519-S521 VanDerWaalsContact C-N 3.29Å; V519-S521 PolarHBondContact O-N 3.41Å; S521-A525 WeakPolarHBondContact O-CB 3.35Å; S521-A525 PolarHBondContact O-N 3.3Å
522	L	86.2	Confident	79.2	Confident	1 Å²	1	20.3 Å²	20.3	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-63.2	-46.7	172.5	-61.9	-178.2	0	0	0	110.6	A518 V519 L520 V524 A525 R526 L537 Y581 E584 L585 L588	A518-L522 PolarHBondContact O-N 3.28Å; A518-L522 VanDerWaalsContact O-N 3.1Å; V519-L522 WeakPolarHBondContact O-CB 3.34Å; V519-L522 PolarHBondContact O-N 2.78Å; L520-L522 VanDerWaalsContact C-N 3.32Å; L520-L522 PolarHBondContact O-N 3.28Å; L522-V524 VanDerWaalsContact C-N 3.35Å; L522-V524 PolarHBondContact O-N 3.38Å; L522-A525 VanDerWaalsContact O-CB 3.31Å; L522-A525 WeakPolarHBondContact O-CB 3.38Å; L522-A525 PolarHBondContact O-N 2.85Å; L522-A525 VanDerWaalsContact O-N 3.16Å; L522-R526 PolarHBondContact O-N 3.19Å; L522-L537 HydrophobicContact CD2-CD1 4.04Å; L522-L537 HydrophobicContact CD2-CD2 3.52Å; L522-L537 HydrophobicContact CD2-CG 4.32Å; L522-Y581 HydrophobicContact CD1-CD1 4.44Å; L522-Y581 HydrophobicContact CD1-CD2 3.53Å; L522-Y581 HydrophobicContact CD1-CE1 4.35Å; L522-Y581 HydrophobicContact CD1-CE2 3.39Å; L522-Y581 HydrophobicContact CD1-CG 4.06Å; L522-Y581 HydrophobicContact CD2-CE2 4.17Å; L522-Y581 HydrophobicContact CG-CD2 4.22Å; L522-Y581 HydrophobicContact CG-CE2 3.73Å; L522-E584 HydrophobicContact CB-CB 4.37Å; L522-E584 HydrophobicContact CD1-CB 3.98Å; L522-L585 HydrophobicContact CD1-CB 3.85Å; L522-L585 HydrophobicContact CD2-CD1 4.07Å; L522-L588 HydrophobicContact CB-CD1 4.18Å; L522-L588 HydrophobicContact CD2-CD1 4.4Å; L522-L588 VanDerWaalsContact O-CD1 3.25Å; L522-L588 WeakPolarHBondContact O-CD1 3.26Å
523	N	84.2	Confident	79.7	Confident	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-65.3	-41.6	-179.1	-156	11.1	0	0	0	111.7	I473 E474 T477 V519 L520 A525 R526 Y527	I473-N523 HydrophobicContact CG2-CB 4.1Å; E474-N523 PolarHBondContact OE2-ND2 3.38Å; E474-N523 PolarHBondContact OE2-OD1 3.39Å; T477-N523 HydrophobicContact CG2-CB 4.29Å; T477-N523 PolarHBondContact OG1-ND2 2.88Å; V519-N523 PolarHBondContact O-N 3.36Å; V519-N523 VanDerWaalsContact O-N 3.1Å; L520-N523 PolarHBondContact O-N 2.95Å; N523-A525 VanDerWaalsContact C-N 3.31Å; N523-A525 PolarHBondContact O-N 3.31Å; N523-R526 WeakPolarHBondContact O-CB 3.37Å; N523-R526 PolarHBondContact O-N 2.87Å; N523-R526 VanDerWaalsContact OD1-CZ 3.28Å; N523-R526 PolarHBondContact OD1-NE 2.66Å; N523-R526 VanDerWaalsContact OD1-NE 3.15Å; N523-R526 PolarHBondContact OD1-NH2 2.85Å; N523-Y527 WeakPolarHBondContact O-CD2 3.17Å; N523-Y527 PolarHBondContact O-N 2.71Å
524	V	88.2	Confident	80.2	Confident	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-59.8	-41.4	173	168.7	0	0	0	0	111.4	T477 L480 I481 I484 I508 L520 L522 R526 Y527 L528 I728	T477-V524 HydrophobicContact CG2-CG2 3.8Å; L480-V524 HydrophobicContact CD2-CG2 3.7Å; L480-V524 HydrophobicContact CG-CG2 4.47Å; I481-V524 HydrophobicContact CD1-CB 4.34Å; I481-V524 HydrophobicContact CD1-CG1 3.92Å; I481-V524 HydrophobicContact CD1-CG2 4.35Å; I484-V524 HydrophobicContact CD1-CG1 4.34Å; I508-V524 HydrophobicContact CD1-CG1 4.35Å; L520-V524 HydrophobicContact CG-CG2 4.31Å; L520-V524 WeakPolarHBondContact O-CB 3.35Å; L520-V524 VanDerWaalsContact O-CG2 3.23Å; L520-V524 WeakPolarHBondContact O-CG2 3.42Å; L520-V524 PolarHBondContact O-N 3.04Å; L522-V524 VanDerWaalsContact C-N 3.35Å; L522-V524 PolarHBondContact O-N 3.38Å; V524-R526 VanDerWaalsContact C-N 3.33Å; V524-R526 PolarHBondContact O-N 3.45Å; V524-Y527 PolarHBondContact O-N 2.88Å; V524-L528 HydrophobicContact CG1-CD1 3.49Å; V524-L528 VanDerWaalsContact CG1-CD1 3.49Å; V524-L528 HydrophobicContact CG1-CG 4.13Å; V524-L528 WeakPolarHBondContact O-CB 3.45Å; V524-L528 VanDerWaalsContact O-CG 3.27Å; V524-L528 WeakPolarHBondContact O-CG 2.94Å; V524-L528 PolarHBondContact O-N 2.79Å; V524-I728 HydrophobicContact CG1-CD1 3.5Å
525	A	87.6	Confident	81	Confident	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-58.9	-45.9	176	0	0	0	0	0	111.8	I508 S521 L522 N523 L528 S529 V535 L537 L588 L706	I508-A525 VanDerWaalsContact CD1-CA 3.44Å; I508-A525 HydrophobicContact CD1-CB 3.54Å; S521-A525 WeakPolarHBondContact O-CB 3.35Å; S521-A525 PolarHBondContact O-N 3.3Å; L522-A525 VanDerWaalsContact O-CB 3.31Å; L522-A525 WeakPolarHBondContact O-CB 3.38Å; L522-A525 PolarHBondContact O-N 2.85Å; L522-A525 VanDerWaalsContact O-N 3.16Å; N523-A525 VanDerWaalsContact C-N 3.31Å; N523-A525 PolarHBondContact O-N 3.31Å; A525-L528 PolarHBondContact O-N 3.21Å; A525-S529 WeakPolarHBondContact O-CB 3.29Å; A525-S529 PolarHBondContact O-N 2.85Å; A525-S529 PolarHBondContact O-OG 3.35Å; A525-V535 HydrophobicContact CB-CG1 3.91Å; A525-L537 HydrophobicContact CB-CD1 4.36Å; A525-L537 HydrophobicContact CB-CD2 4.5Å; A525-L588 HydrophobicContact CB-CD1 4Å; A525-L706 HydrophobicContact CB-CD1 4.16Å
526	R	82.2	Confident	81.8	Confident	42 Å²	42	17.7 Å²	17.7	16%	0.158	10%	0.101	C	C	.	.	H	α-helix	trans	-58.6	-53.5	176.3	-172.6	179.1	62.5	79.9	-1.3	111	E474 L522 N523 V524 L528 S529 T530 L588 L591	E474-R526 IonicContact OE1-CZ 2.71Å; E474-R526 IonicContact OE1-NH1 2.72Å; E474-R526 IonicContact OE1-NH2 3.07Å; E474-R526 PolarHBondContact OE1-NH2 3.19Å; E474-R526 IonicContact OE2-CZ 3.6Å; E474-R526 IonicContact OE2-NH2 2.77Å; E474-R526 PolarHBondContact OE2-NH2 2.82Å; L522-R526 PolarHBondContact O-N 3.19Å; N523-R526 WeakPolarHBondContact O-CB 3.37Å; N523-R526 PolarHBondContact O-N 2.87Å; N523-R526 VanDerWaalsContact OD1-CZ 3.28Å; N523-R526 PolarHBondContact OD1-NE 2.66Å; N523-R526 VanDerWaalsContact OD1-NE 3.15Å; N523-R526 PolarHBondContact OD1-NH2 2.85Å; V524-R526 VanDerWaalsContact C-N 3.33Å; V524-R526 PolarHBondContact O-N 3.45Å; R526-L528 PolarHBondContact O-N 2.89Å; R526-S529 PolarHBondContact O-N 2.84Å; R526-S529 PolarHBondContact O-OG 2.92Å; R526-T530 WeakPolarHBondContact O-CG2 3.37Å; R526-T530 PolarHBondContact O-N 3.32Å; R526-T530 PolarHBondContact O-OG1 2.91Å; R526-L588 HydrophobicContact CB-CD1 4.42Å; R526-L591 HydrophobicContact CG-CD1 3.89Å
527	Y	82.1	Confident	82.4	Confident	40 Å²	40	17.2 Å²	17.2	16%	0.157	10%	0.099	C	C	.	.	H	α-helix	trans	-60.8	-42.9	179.1	-90.8	-84.2	0	0	0	114.1	E474 T477 I481 N523 V524 S529 T530 L531	E474-Y527 VanDerWaalsContact OE1-CE2 3.22Å; E474-Y527 WeakPolarHBondContact OE1-CE2 3.45Å; E474-Y527 PolarHBondContact OE1-OH 2.67Å; T477-Y527 HydrophobicContact CG2-CD2 3.56Å; T477-Y527 HydrophobicContact CG2-CE2 3.96Å; T477-Y527 HydrophobicContact CG2-CG 4.24Å; I481-Y527 HydrophobicContact CD1-CG 4.47Å; I481-Y527 HydrophobicContact CG1-CD1 4.44Å; I481-Y527 HydrophobicContact CG1-CG 4.05Å; N523-Y527 WeakPolarHBondContact O-CD2 3.17Å; N523-Y527 PolarHBondContact O-N 2.71Å; V524-Y527 PolarHBondContact O-N 2.88Å; Y527-S529 VanDerWaalsContact C-N 3.31Å; Y527-S529 PolarHBondContact O-N 3.42Å; Y527-T530 WeakPolarHBondContact CA-OG1 3.48Å; Y527-T530 PolarHBondContact O-N 3.27Å; Y527-T530 PolarHBondContact O-OG1 3.15Å; Y527-L531 WeakPolarHBondContact O-CB 3.26Å; Y527-L531 VanDerWaalsContact O-CG 3.24Å; Y527-L531 WeakPolarHBondContact O-CG 3.42Å; Y527-L531 PolarHBondContact O-N 3.47Å
528	L	84.3	Confident	82.8	Confident	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-67.7	-36.1	179.7	-69.5	171	0	0	0	111.3	I481 I484 M485 I506 I508 V524 A525 R526 L531 G532 A533 V535 I728	I481-L528 HydrophobicContact CD1-CD1 4.42Å; I481-L528 HydrophobicContact CD1-CD2 3.84Å; I481-L528 HydrophobicContact CD1-CG 3.7Å; I484-L528 HydrophobicContact CG2-CD2 4Å; M485-L528 HydrophobicContact SD-CD2 4.02Å; I506-L528 HydrophobicContact CD1-CB 4.12Å; I506-L528 HydrophobicContact CD1-CD1 3.75Å; I506-L528 HydrophobicContact CD1-CD2 4.13Å; I506-L528 HydrophobicContact CD1-CG 4.22Å; I506-L528 HydrophobicContact CG2-CD1 4.14Å; I508-L528 HydrophobicContact CD1-CD1 4.31Å; V524-L528 HydrophobicContact CG1-CD1 3.49Å; V524-L528 VanDerWaalsContact CG1-CD1 3.49Å; V524-L528 HydrophobicContact CG1-CG 4.13Å; V524-L528 WeakPolarHBondContact O-CB 3.45Å; V524-L528 VanDerWaalsContact O-CG 3.27Å; V524-L528 WeakPolarHBondContact O-CG 2.94Å; V524-L528 PolarHBondContact O-N 2.79Å; A525-L528 PolarHBondContact O-N 3.21Å; R526-L528 PolarHBondContact O-N 2.89Å; L528-L531 PolarHBondContact O-N 2.81Å; L528-G532 PolarHBondContact O-N 3.45Å; L528-A533 HydrophobicContact CB-CB 4.24Å; L528-A533 WeakPolarHBondContact O-CB 3.27Å; L528-A533 PolarHBondContact O-N 2.69Å; L528-V535 HydrophobicContact CB-CG2 3.83Å; L528-I728 HydrophobicContact CD1-CD1 3.81Å
529	S	79.9	Confident	82.7	Confident	19 Å²	19	17.6 Å²	17.6	13%	0.133	10%	0.101	C	C	.	.	H	α-helix	trans	-65.8	-42.2	176.1	74.4	0	0	0	0	112.4	A525 R526 Y527 L531 G532	A525-S529 WeakPolarHBondContact O-CB 3.29Å; A525-S529 PolarHBondContact O-N 2.85Å; A525-S529 PolarHBondContact O-OG 3.35Å; R526-S529 PolarHBondContact O-N 2.84Å; R526-S529 PolarHBondContact O-OG 2.92Å; Y527-S529 VanDerWaalsContact C-N 3.31Å; Y527-S529 PolarHBondContact O-N 3.42Å; S529-L531 VanDerWaalsContact C-N 3.29Å; S529-L531 PolarHBondContact O-N 3.08Å; S529-G532 PolarHBondContact O-N 3.38Å
530	T	73.9	Confident	81.9	Confident	96 Å²	96	20 Å²	20	59%	0.589	12%	0.118	S	C	*	.	H	α-helix	trans	-68	-29.1	176.9	55.6	0	0	0	0	112.3	R526 Y527 G532	R526-T530 WeakPolarHBondContact O-CG2 3.37Å; R526-T530 PolarHBondContact O-N 3.32Å; R526-T530 PolarHBondContact O-OG1 2.91Å; Y527-T530 WeakPolarHBondContact CA-OG1 3.48Å; Y527-T530 PolarHBondContact O-N 3.27Å; Y527-T530 PolarHBondContact O-OG1 3.15Å; T530-G532 VanDerWaalsContact C-N 3.27Å; T530-G532 PolarHBondContact O-N 3.39Å
531	L	76.7	Confident	80.4	Confident	89 Å²	89	22.4 Å²	22.4	47%	0.466	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	2.4	176.4	-71.4	176.5	0	0	0	115	I481 M485 Y527 L528 S529	I481-L531 HydrophobicContact CG2-CD1 3.32Å; M485-L531 HydrophobicContact CE-CB 4.32Å; M485-L531 HydrophobicContact CE-CD1 4.49Å; M485-L531 HydrophobicContact CG-CD1 3.91Å; M485-L531 HydrophobicContact SD-CD1 4.26Å; Y527-L531 WeakPolarHBondContact O-CB 3.26Å; Y527-L531 VanDerWaalsContact O-CG 3.24Å; Y527-L531 WeakPolarHBondContact O-CG 3.42Å; Y527-L531 PolarHBondContact O-N 3.47Å; L528-L531 PolarHBondContact O-N 2.81Å; S529-L531 VanDerWaalsContact C-N 3.29Å; S529-L531 PolarHBondContact O-N 3.08Å
532	G	72.8	Confident	78.5	Confident	22 Å²	22	26 Å²	26	23%	0.227	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	109.4	-0.3	173.4	0	0	0	0	0	115.6	P503 L528 S529 T530 P704	P503-G532 WeakPolarHBondContact CB-O 3.49Å; L528-G532 PolarHBondContact O-N 3.45Å; S529-G532 PolarHBondContact O-N 3.38Å; T530-G532 VanDerWaalsContact C-N 3.27Å; T530-G532 PolarHBondContact O-N 3.39Å; G532-P704 VanDerWaalsContact C-CB 3.48Å; G532-P704 WeakPolarHBondContact O-CG 3.29Å
533	A	77	Confident	76	Confident	5 Å²	5	33.5 Å²	33.5	4%	0.041	19%	0.187	C	C	.	.			trans	-80.8	153	-178.7	0	0	0	0	0	112.1	A504 I506 L528 V535 G705	A504-A533 HydrophobicContact CB-CB 4.35Å; I506-A533 HydrophobicContact CD1-CB 3.55Å; I506-A533 HydrophobicContact CG1-CB 4.12Å; L528-A533 HydrophobicContact CB-CB 4.24Å; L528-A533 WeakPolarHBondContact O-CB 3.27Å; L528-A533 PolarHBondContact O-N 2.69Å; A533-V535 HydrophobicContact CB-CG2 4.11Å; A533-G705 PolarHBondContact O-N 3.18Å
534	C	82.1	Confident	73.2	Confident	28 Å²	28	38.1 Å²	38.1	19%	0.189	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	104.1	165.5	-64.9	0	0	0	0	108	P503 A504 I506 M703 G705	P503-C534 WeakPolarHBondContact CG-SG 3.35Å; A504-C534 PolarHBondContact O-N 3.42Å; I506-C534 PolarHBondContact N-O 3.46Å; C534-M703 PolarHBondContact SG-O 2.74Å; C534-M703 VanDerWaalsContact SG-O 3.36Å; C534-G705 CarbonylContact C-O 3.44Å; C534-G705 WeakPolarHBondContact CA-O 3.33Å
535	V	84.9	Confident	70.2	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	123.4	-176.5	-176.9	0	0	0	0	109.9	I506 I508 A525 L528 A533 G705 L706 K707	I506-V535 HydrophobicContact CB-CG2 4.36Å; I506-V535 CarbonylContact O-C 3.58Å; I506-V535 WeakPolarHBondContact O-CA 3.24Å; I508-V535 HydrophobicContact CD1-CG1 3.59Å; I508-V535 HydrophobicContact CG1-CG1 3.97Å; A525-V535 HydrophobicContact CB-CG1 3.91Å; L528-V535 HydrophobicContact CB-CG2 3.83Å; A533-V535 HydrophobicContact CB-CG2 4.11Å; V535-G705 PolarHBondContact N-O 2.87Å; V535-L706 HydrophobicContact CB-CD1 3.75Å; V535-L706 HydrophobicContact CG1-CD1 3.61Å; V535-L706 WeakPolarHBondContact O-CA 3.38Å; V535-K707 PolarHBondContact O-N 3.42Å
536	L	87.5	Confident	67.3	Low	14 Å²	14	50.2 Å²	50.2	7%	0.073	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	108.6	168.6	-164.5	59.8	0	0	0	108.2	I506 L507 I508 W699 K707 I709 V715 L718	I506-L536 PolarHBondContact O-N 3.36Å; L507-L536 CarbonylContact C-O 3.54Å; L507-L536 WeakPolarHBondContact CA-O 3.25Å; L507-L536 HydrophobicContact CD1-CB 3.96Å; L507-L536 HydrophobicContact CD1-CD2 3.95Å; L507-L536 HydrophobicContact CD1-CG 4.07Å; I508-L536 PolarHBondContact N-O 2.92Å; L536-W699 HydrophobicContact CB-CH2 4.02Å; L536-W699 HydrophobicContact CD1-CH2 3.64Å; L536-W699 HydrophobicContact CD1-CZ2 3.6Å; L536-W699 HydrophobicContact CD2-CH2 4.44Å; L536-W699 HydrophobicContact CG-CH2 4.26Å; L536-K707 HydrophobicContact CD1-CB 3.85Å; L536-K707 HydrophobicContact CD1-CD 4.18Å; L536-K707 HydrophobicContact CD1-CG 4.05Å; L536-I709 HydrophobicContact CD1-CD1 3.27Å; L536-I709 HydrophobicContact CD1-CG1 3.77Å; L536-I709 HydrophobicContact CD2-CD1 3.72Å; L536-I709 HydrophobicContact CG-CD1 3.61Å; L536-I709 HydrophobicContact CG-CG1 4.38Å; L536-V715 HydrophobicContact CD2-CG2 4.23Å; L536-L718 HydrophobicContact CD2-CD1 4.37Å
537	L	87.6	Confident	64.7	Low	0 Å²	0	52.7 Å²	52.7	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	115.3	-179.6	175.1	66.6	0	0	0	109.8	I508 L522 A525 L588 L706 K707 I708 I709	I508-L537 HydrophobicContact CB-CD1 3.95Å; I508-L537 HydrophobicContact CG2-CD1 3.71Å; I508-L537 CarbonylContact O-C 3.55Å; I508-L537 WeakPolarHBondContact O-CA 3.36Å; L522-L537 HydrophobicContact CD2-CD1 4.04Å; L522-L537 HydrophobicContact CD2-CD2 3.52Å; L522-L537 HydrophobicContact CD2-CG 4.32Å; A525-L537 HydrophobicContact CB-CD1 4.36Å; A525-L537 HydrophobicContact CB-CD2 4.5Å; L537-L588 HydrophobicContact CD2-CD1 3.8Å; L537-L588 HydrophobicContact CD2-CD2 3.67Å; L537-L588 HydrophobicContact CD2-CG 4.42Å; L537-L706 HydrophobicContact CB-CD1 4.08Å; L537-K707 PolarHBondContact N-O 3.47Å; L537-I708 HydrophobicContact CD2-CG1 4.45Å; L537-I708 CarbonylContact O-C 3.54Å; L537-I708 WeakPolarHBondContact O-CA 3.36Å; L537-I709 PolarHBondContact O-N 2.84Å
538	V	85.9	Confident	62.1	Low	5 Å²	5	56.6 Å²	56.6	3%	0.03	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	113.1	170.7	-173.1	0	0	0	0	108.3	L507 I508 V509 S510 I709 P712 V715 L752	L507-V538 HydrophobicContact CD1-CG2 3.94Å; I508-V538 PolarHBondContact O-N 2.97Å; V509-V538 HydrophobicContact CG1-CB 4.46Å; V509-V538 HydrophobicContact CG2-CB 4.37Å; V509-V538 HydrophobicContact CG2-CG2 4.47Å; S510-V538 PolarHBondContact N-O 2.81Å; S510-V538 VanDerWaalsContact N-O 3.13Å; S510-V538 PolarHBondContact OG-O 2.9Å; V538-I709 WeakPolarHBondContact CA-O 3.4Å; V538-P712 HydrophobicContact CG1-CB 4.36Å; V538-P712 HydrophobicContact CG1-CG 4.1Å; V538-V715 HydrophobicContact CG2-CG2 3.7Å; V538-L752 HydrophobicContact CB-CD2 4.42Å; V538-L752 HydrophobicContact CG1-CD2 4.03Å; V538-L752 HydrophobicContact CG2-CD2 4.33Å
539	T	78.3	Confident	59.4	Low	4 Å²	4	60.6 Å²	60.6	3%	0.025	37%	0.365	C	S	.	.			trans	-120.2	136.7	174.2	175.8	0	0	0	0	108.5	S541 Y581 L585 I708 I709 R710	T539-S541 PolarHBondContact O-N 3.34Å; T539-Y581 PolarHBondContact OG1-OH 3.3Å; T539-L585 HydrophobicContact CG2-CD1 4.19Å; T539-I708 HydrophobicContact CG2-CG2 3.48Å; T539-I708 VanDerWaalsContact CG2-CG2 3.48Å; T539-I709 PolarHBondContact N-O 3.42Å; T539-R710 WeakPolarHBondContact O-CA 3.4Å
540	S	64.1	Low	57.1	Low	51 Å²	51	67 Å²	67	36%	0.357	40%	0.398	S	S	.	.			trans	-61.2	135.7	167.5	-57.6	0	0	0	0	108.9	M542	S540-M542 PolarHBondContact O-N 3.49Å; S540-M542 VanDerWaalsContact O-N 3.13Å
541	S	53.4	Low	54.9	Low	55 Å²	55	69.1 Å²	69.1	39%	0.385	41%	0.406	S	S	.	.			trans	-60.8	114	175.2	-171.6	0	0	0	0	109.1	T539 H543	T539-S541 PolarHBondContact O-N 3.34Å; S541-H543 VanDerWaalsContact C-N 3.34Å; S541-H543 PolarHBondContact O-N 3.25Å
542	M	49.6	Very low	52.8	Low	75 Å²	75	71.6 Å²	71.6	37%	0.369	42%	0.42	S	S	.	.			trans	-65.3	102.5	158	-66.4	-98.3	101.2	0	0	104.9	S513 S540 C544 R582	S513-M542 WeakPolarHBondContact OG-CE 3.35Å; S540-M542 PolarHBondContact O-N 3.49Å; S540-M542 VanDerWaalsContact O-N 3.13Å; M542-C544 PolarHBondContact O-N 3.18Å; M542-R582 HydrophobicContact SD-CG 4.09Å
543	H	33	Very low	51	Low	158 Å²	158	77.8 Å²	77.8	73%	0.731	45%	0.447	S	S	*	.			trans	-60.9	104	170.9	-87.4	56.5	0	0	0	107.4	S541 A545	S541-H543 VanDerWaalsContact C-N 3.34Å; S541-H543 PolarHBondContact O-N 3.25Å; H543-A545 VanDerWaalsContact C-N 3.26Å; H543-A545 PolarHBondContact O-N 2.75Å
544	C	26.9	Very low	48.8	Very low	97 Å²	97	83.4 Å²	83.4	66%	0.655	49%	0.486	S	S	*	.			trans	-74.7	94.2	152.9	-167.1	0	0	0	0	104.1	M542 K546	M542-C544 PolarHBondContact O-N 3.18Å; C544-K546 PolarHBondContact O-N 2.83Å
545	A	24.8	Very low	46.6	Very low	69 Å²	69	88 Å²	88	57%	0.57	51%	0.513	S	S	*	.			trans	-60.8	104.9	171.3	0	0	0	0	0	107	H543 T547	H543-A545 VanDerWaalsContact C-N 3.26Å; H543-A545 PolarHBondContact O-N 2.75Å; A545-T547 PolarHBondContact O-N 2.97Å
546	K	27.3	Very low	44.2	Very low	186 Å²	186	94.8 Å²	94.8	81%	0.809	55%	0.55	S	S	*	.			trans	-72.1	104.8	152	-85.6	-180	174.9	178.1	0	104.9	C544 T548	C544-K546 PolarHBondContact O-N 2.83Å; K546-T548 VanDerWaalsContact C-N 3.28Å; K546-T548 PolarHBondContact O-N 2.85Å
547	T	26.8	Very low	41.6	Very low	93 Å²	93	98.7 Å²	98.7	57%	0.571	58%	0.578	S	S	*	*			trans	-61.1	92.4	164.3	28.4	0	0	0	0	108	A545 A549 D568	A545-T547 PolarHBondContact O-N 2.97Å; T547-A549 VanDerWaalsContact C-N 3.34Å; T547-A549 PolarHBondContact O-N 3.03Å; T547-A549 VanDerWaalsContact O-N 3.13Å; T547-D568 WeakPolarHBondContact CG2-OD1 3.37Å; T547-D568 PolarHBondContact OG1-OD1 2.94Å
548	T	28.1	Very low	39	Very low	122 Å²	122	104.4 Å²	104.4	75%	0.748	61%	0.613	S	S	*	*			trans	-74.9	94.2	162	-49.4	0	0	0	0	106.4	K546 N550	K546-T548 VanDerWaalsContact C-N 3.28Å; K546-T548 PolarHBondContact O-N 2.85Å; T548-N550 VanDerWaalsContact C-N 3.35Å; T548-N550 PolarHBondContact O-N 3.05Å
549	A	27.4	Very low	36.4	Very low	85 Å²	85	110.3 Å²	110.3	70%	0.702	65%	0.649	S	S	*	*			trans	-64	92.3	172.9	0	0	0	0	0	110	T547 N551	T547-A549 VanDerWaalsContact C-N 3.34Å; T547-A549 PolarHBondContact O-N 3.03Å; T547-A549 VanDerWaalsContact O-N 3.13Å; A549-N551 PolarHBondContact O-N 3.25Å
550	N	30.3	Very low	34.3	Very low	152 Å²	152	117 Å²	117	81%	0.813	69%	0.69	S	S	*	*			trans	-89.7	90	163.7	-111.1	-5.5	0	0	0	108.4	T548 N552	T548-N550 VanDerWaalsContact C-N 3.35Å; T548-N550 PolarHBondContact O-N 3.05Å; N550-N552 PolarHBondContact O-N 2.81Å
551	N	27.6	Very low	32.6	Very low	141 Å²	141	119 Å²	119	75%	0.754	71%	0.709	S	S	*	*			trans	-62.7	117.4	162.2	-77.9	-26.9	0	0	0	108.6	A549	A549-N551 PolarHBondContact O-N 3.25Å
552	N	34.2	Very low	31.4	Very low	142 Å²	142	121 Å²	121	76%	0.759	73%	0.729	S	S	*	*			trans	-165.1	108.9	147.5	-87.5	-30.8	0	0	0	111.2	N550	N550-N552 PolarHBondContact O-N 2.81Å
553	N	33.2	Very low	30.5	Very low	152 Å²	152	122.3 Å²	122.3	81%	0.813	75%	0.746	S	S	*	*			trans	60.5	102.9	141.4	-55.4	-25.7	0	0	0	119.7
554	S	32.7	Very low	30.4	Very low	123 Å²	123	124.3 Å²	124.3	86%	0.86	76%	0.755	S	S	*	*				-169.4	109.6	122.6	179.8	0	0	0	0	110.4
555	V	35.8	Very low	30.5	Very low	123 Å²	123	126.2 Å²	126.2	75%	0.745	76%	0.759	S	S	*	*			trans	-67.5	129	174.3	173.8	0	0	0	0	109.7
556	D	34.4	Very low	31.1	Very low	144 Å²	144	129.5 Å²	129.5	77%	0.77	77%	0.772	S	S	*	*				-174.9	127.4	122.6	-99.8	-31.6	0	0	0	114.5
557	S	32.5	Very low	31.4	Very low	96 Å²	96	125.4 Å²	125.4	67%	0.671	77%	0.766	S	S	*	*			trans	85	91.7	139.5	-68.4	0	0	0	0	121.3
558	T	32.7	Very low	31.6	Very low	120 Å²	120	125.3 Å²	125.3	74%	0.736	76%	0.763	S	S	*	*				81.7	119	119.9	27.6	0	0	0	0	121.6
559	T	30.4	Very low	31.7	Very low	128 Å²	128	128.3 Å²	128.3	79%	0.785	77%	0.768	S	S	*	*			trans	71	107	152.1	65.7	0	0	0	0	114.9
560	V	34.4	Very low	31.9	Very low	146 Å²	146	130.5 Å²	130.5	89%	0.885	76%	0.759	S	S	*	*				-160.8	146.3	68.1	165.8	0	0	0	0	108.6
561	A	29.6	Very low	32.1	Very low	92 Å²	92	127.8 Å²	127.8	76%	0.76	75%	0.75	S	S	*	*			trans	-73.1	144.5	-166	0	0	0	0	0	116.2
562	A	27.2	Very low	32.5	Very low	98 Å²	98	126.2 Å²	126.2	81%	0.81	75%	0.745	S	S	*	*			trans	71.3	85.5	136	0	0	0	0	0	120.2
563	S	32.1	Very low	33	Very low	101 Å²	101	123 Å²	123	71%	0.706	73%	0.728	S	S	*	*				-162.5	132.9	122.5	52.2	0	0	0	0	109.1	D565	S563-D565 PolarHBondContact O-N 3.37Å
564	E	29.3	Very low	33.8	Very low	200 Å²	200	122.7 Å²	122.7	94%	0.935	73%	0.727	S	S	*	*			trans	-70.7	86.4	-176.3	-67.1	172.3	159.7	0	0	110.7
565	D	30.6	Very low	35.3	Very low	137 Å²	137	117.3 Å²	117.3	73%	0.733	69%	0.689	S	S	*	*			trans	-100	101.3	169	-88.3	-38.6	0	0	0	109.2	S563	S563-D565 PolarHBondContact O-N 3.37Å
566	V	36.1	Very low	36.9	Very low	139 Å²	139	115.4 Å²	115.4	84%	0.842	67%	0.674	S	S	*	*			trans	-110	87.2	161.9	-175.9	0	0	0	0	106.8
567	S	34.5	Very low	38.8	Very low	99 Å²	99	108.6 Å²	108.6	69%	0.692	64%	0.637	S	S	*	*			trans	-80.8	112.4	172.5	38.7	0	0	0	0	109	E569	S567-E569 VanDerWaalsContact C-N 3.33Å; S567-E569 PolarHBondContact O-N 2.85Å
568	D	30.9	Very low	40.8	Very low	92 Å²	92	104.1 Å²	104.1	49%	0.492	61%	0.606	S	S	.	*			trans	-64.5	96.6	162	-78.1	-42	0	0	0	107.9	T547 Y570	T547-D568 WeakPolarHBondContact CG2-OD1 3.37Å; T547-D568 PolarHBondContact OG1-OD1 2.94Å; D568-Y570 WeakPolarHBondContact O-CD2 3.48Å; D568-Y570 PolarHBondContact O-N 3.16Å
569	E	30	Very low	42.8	Very low	185 Å²	185	101.3 Å²	101.3	86%	0.864	60%	0.595	S	S	*	*			trans	-69.5	90.7	-177.6	-167.5	175.3	-176.1	0	0	110.7	S567	S567-E569 VanDerWaalsContact C-N 3.33Å; S567-E569 PolarHBondContact O-N 2.85Å
570	Y	30.9	Very low	45	Very low	130 Å²	130	95.7 Å²	95.7	51%	0.51	56%	0.56	S	S	.	*			trans	-68	144.3	163.6	-74.5	-87.7	0	0	0	109.9	D568 T572	D568-Y570 WeakPolarHBondContact O-CD2 3.48Å; D568-Y570 PolarHBondContact O-N 3.16Å; Y570-T572 PolarHBondContact O-N 2.96Å
571	P	34.2	Very low	47.2	Very low	96 Å²	96	88.9 Å²	88.9	62%	0.623	52%	0.518	S	S	*	.			trans	-59.6	106.1	164.2	-13.1	25.8	0	0	0	107.8	D573	P571-D573 PolarHBondContact O-N 2.83Å
572	T	35.8	Very low	49.6	Very low	107 Å²	107	89.6 Å²	89.6	66%	0.656	50%	0.501	S	S	*	.			trans	-77.1	49.4	-172	25.4	0	0	0	0	111.7	Y570 N574	Y570-T572 PolarHBondContact O-N 2.96Å; T572-N574 PolarHBondContact O-N 3.38Å
573	D	45.7	Very low	52	Low	76 Å²	76	90.7 Å²	90.7	41%	0.406	49%	0.49	S	S	.	.			trans	-77.5	73.9	162.4	-79.2	-19.6	0	0	0	108.5	N514 P571 S575	N514-D573 PolarHBondContact ND2-OD2 3.22Å; P571-D573 PolarHBondContact O-N 2.83Å; D573-S575 PolarHBondContact O-N 2.8Å
574	N	49.1	Very low	54.1	Low	145 Å²	145	86.5 Å²	86.5	78%	0.775	46%	0.459	S	S	*	.			trans	-66.8	29.7	174.5	-78.7	-10.3	0	0	0	112.8	T572	T572-N574 PolarHBondContact O-N 3.38Å
575	S	65	Low	56.6	Low	10 Å²	10	77.9 Å²	77.9	7%	0.07	42%	0.419	C	S	.	.			trans	-73.8	133.4	175	-178.4	0	0	0	0	109.7	D573 M577 S578 A579 L798	D573-S575 PolarHBondContact O-N 2.8Å; S575-M577 PolarHBondContact O-N 2.79Å; S575-M577 PolarHBondContact OG-N 3.5Å; S575-S578 WeakPolarHBondContact O-CB 3.22Å; S575-S578 PolarHBondContact O-N 3.45Å; S575-A579 PolarHBondContact O-N 3.46Å; S575-L798 PolarHBondContact OG-O 3.41Å
576	I	70.5	Confident	58.7	Low	82 Å²	82	76.9 Å²	76.9	42%	0.421	41%	0.41	S	S	.	.	H	α-helix	trans	-47.5	-37.2	172.4	-65	168.3	0	0	0	110.7	W469 A579 I580	W469-I576 HydrophobicContact CG-CG2 4.43Å; I576-A579 PolarHBondContact O-N 3.22Å; I576-I580 HydrophobicContact CG2-CD1 3.64Å; I576-I580 HydrophobicContact CG2-CG1 4.4Å; I576-I580 WeakPolarHBondContact O-CD1 3.34Å; I576-I580 WeakPolarHBondContact O-CG1 3.45Å; I576-I580 PolarHBondContact O-N 3.32Å
577	M	73.4	Confident	60.4	Low	1 Å²	1	73.8 Å²	73.8	1%	0.005	39%	0.388	C	S	.	.	H	α-helix	trans	-69.9	-36	179.2	-70.6	-63.2	158.9	0	0	113.5	W469 S513 L516 V519 S575 A579 I580 Y581	W469-M577 HydrophobicContact CD2-CE 3.93Å; W469-M577 HydrophobicContact CE3-CE 3.58Å; W469-M577 HydrophobicContact CH2-CE 3.68Å; W469-M577 HydrophobicContact CZ2-CE 3.93Å; W469-M577 HydrophobicContact CZ3-CE 3.45Å; W469-M577 VanDerWaalsContact CZ3-CE 3.45Å; S513-M577 CarbonylContact O-C 3.46Å; L516-M577 HydrophobicContact CB-SD 4.49Å; L516-M577 HydrophobicContact CD1-CE 4.01Å; L516-M577 HydrophobicContact CD1-SD 3.75Å; V519-M577 HydrophobicContact CG2-SD 4.45Å; S575-M577 PolarHBondContact O-N 2.79Å; S575-M577 PolarHBondContact OG-N 3.5Å; M577-A579 VanDerWaalsContact C-N 3.33Å; M577-I580 HydrophobicContact CE-CD1 4.36Å; M577-I580 PolarHBondContact O-N 2.89Å; M577-I580 HydrophobicContact SD-CD1 4.06Å; M577-Y581 VanDerWaalsContact O-CB 3.22Å; M577-Y581 WeakPolarHBondContact O-CB 3.47Å; M577-Y581 PolarHBondContact O-N 3Å
578	S	74.2	Confident	62.3	Low	3 Å²	3	69.1 Å²	69.1	2%	0.021	36%	0.356	C	S	.	.	H	α-helix	trans	-64.4	-41.6	174.7	-171.4	0	0	0	0	110.8	S513 N514 S575 Y581 R582	S513-S578 WeakPolarHBondContact O-CA 3.49Å; S513-S578 PolarHBondContact O-N 3.27Å; N514-S578 WeakPolarHBondContact OD1-CB 3.41Å; S575-S578 WeakPolarHBondContact O-CB 3.22Å; S575-S578 PolarHBondContact O-N 3.45Å; S578-Y581 PolarHBondContact O-N 2.5Å; S578-R582 VanDerWaalsContact O-CG 3.3Å; S578-R582 WeakPolarHBondContact O-CG 3.41Å; S578-R582 PolarHBondContact O-N 2.73Å
579	A	74.6	Confident	64.2	Low	60 Å²	60	68.2 Å²	68.2	50%	0.496	35%	0.349	S	S	.	.	H	α-helix	trans	-62.5	-46.6	174.6	0	0	0	0	0	112	S575 I576 M577 R582 Q583	S575-A579 PolarHBondContact O-N 3.46Å; I576-A579 PolarHBondContact O-N 3.22Å; M577-A579 VanDerWaalsContact C-N 3.33Å; A579-R582 PolarHBondContact O-N 2.9Å; A579-Q583 WeakPolarHBondContact O-CB 3.48Å; A579-Q583 PolarHBondContact O-N 3Å
580	I	76.4	Confident	66	Low	11 Å²	11	64 Å²	64	6%	0.056	33%	0.333	C	S	.	.	H	α-helix	trans	-64.6	-41.3	176.3	-61.4	156.2	0	0	0	110.8	W469 I473 V519 I576 M577 R582 Q583 E584	W469-I580 HydrophobicContact CB-CD1 3.37Å; W469-I580 HydrophobicContact CB-CG1 4.1Å; W469-I580 HydrophobicContact CD2-CD1 3.96Å; W469-I580 HydrophobicContact CE3-CD1 4.47Å; W469-I580 HydrophobicContact CG-CD1 3.46Å; W469-I580 VanDerWaalsContact CG-CD1 3.46Å; I473-I580 HydrophobicContact CD1-CG2 3.65Å; V519-I580 HydrophobicContact CG1-CG2 3.67Å; I576-I580 HydrophobicContact CG2-CD1 3.64Å; I576-I580 HydrophobicContact CG2-CG1 4.4Å; I576-I580 WeakPolarHBondContact O-CD1 3.34Å; I576-I580 WeakPolarHBondContact O-CG1 3.45Å; I576-I580 PolarHBondContact O-N 3.32Å; M577-I580 HydrophobicContact CE-CD1 4.36Å; M577-I580 PolarHBondContact O-N 2.89Å; M577-I580 HydrophobicContact SD-CD1 4.06Å; I580-R582 VanDerWaalsContact C-N 3.33Å; I580-R582 PolarHBondContact O-N 2.7Å; I580-Q583 PolarHBondContact O-N 3.38Å; I580-E584 HydrophobicContact CG2-CG 4.12Å; I580-E584 WeakPolarHBondContact O-CB 3.21Å; I580-E584 WeakPolarHBondContact O-CG 2.91Å; I580-E584 PolarHBondContact O-N 3.06Å
581	Y	81.7	Confident	67.5	Low	2 Å²	2	63.2 Å²	63.2	1%	0.008	34%	0.337	C	S	.	.	H	α-helix	trans	-57.7	-46.6	176	-175.8	-92.3	0	0	0	111.1	S510 G512 S513 A518 V519 L522 T539 M577 S578 E584 L585	S510-Y581 PolarHBondContact OG-OH 3.15Å; G512-Y581 WeakPolarHBondContact O-CE2 3.32Å; G512-Y581 VanDerWaalsContact O-CZ 3.28Å; S513-Y581 WeakPolarHBondContact O-CB 3.48Å; A518-Y581 HydrophobicContact CB-CD2 3.86Å; A518-Y581 HydrophobicContact CB-CE2 3.64Å; V519-Y581 HydrophobicContact CG2-CD2 4.05Å; V519-Y581 HydrophobicContact CG2-CG 4.5Å; L522-Y581 HydrophobicContact CD1-CD1 4.44Å; L522-Y581 HydrophobicContact CD1-CD2 3.53Å; L522-Y581 HydrophobicContact CD1-CE1 4.35Å; L522-Y581 HydrophobicContact CD1-CE2 3.39Å; L522-Y581 HydrophobicContact CD1-CG 4.06Å; L522-Y581 HydrophobicContact CD2-CE2 4.17Å; L522-Y581 HydrophobicContact CG-CD2 4.22Å; L522-Y581 HydrophobicContact CG-CE2 3.73Å; T539-Y581 PolarHBondContact OG1-OH 3.3Å; M577-Y581 VanDerWaalsContact O-CB 3.22Å; M577-Y581 WeakPolarHBondContact O-CB 3.47Å; M577-Y581 PolarHBondContact O-N 3Å; S578-Y581 PolarHBondContact O-N 2.5Å; Y581-E584 PolarHBondContact O-N 3.39Å; Y581-L585 HydrophobicContact CE1-CD2 4.02Å; Y581-L585 WeakPolarHBondContact O-CB 3.34Å; Y581-L585 PolarHBondContact O-N 3.04Å
582	R	79.3	Confident	68.8	Low	107 Å²	107	59.2 Å²	59.2	40%	0.404	31%	0.311	S	S	.	.	H	α-helix	trans	-62	-42.9	175.5	-70.7	175.8	-167.9	-167.4	5.1	111.4	M542 S578 A579 I580 L585 H586	M542-R582 HydrophobicContact SD-CG 4.09Å; S578-R582 VanDerWaalsContact O-CG 3.3Å; S578-R582 WeakPolarHBondContact O-CG 3.41Å; S578-R582 PolarHBondContact O-N 2.73Å; A579-R582 PolarHBondContact O-N 2.9Å; I580-R582 VanDerWaalsContact C-N 3.33Å; I580-R582 PolarHBondContact O-N 2.7Å; R582-L585 PolarHBondContact O-N 3.1Å; R582-H586 WeakPolarHBondContact O-CB 3.35Å; R582-H586 PolarHBondContact O-N 3.16Å
583	Q	77.5	Confident	69.6	Low	121 Å²	121	58.4 Å²	58.4	57%	0.565	31%	0.308	S	S	*	.	H	α-helix	trans	-62.6	-49.3	177.6	-174	176.8	11.7	0	0	111.8	A579 I580 H586 L587	A579-Q583 WeakPolarHBondContact O-CB 3.48Å; A579-Q583 PolarHBondContact O-N 3Å; I580-Q583 PolarHBondContact O-N 3.38Å; Q583-H586 PolarHBondContact O-N 3.23Å; Q583-L587 HydrophobicContact CG-CD1 4.45Å; Q583-L587 VanDerWaalsContact O-CG 3.31Å; Q583-L587 WeakPolarHBondContact O-CG 3.29Å; Q583-L587 PolarHBondContact O-N 3.36Å
584	E	77.2	Confident	69.7	Low	13 Å²	13	62.2 Å²	62.2	6%	0.061	32%	0.321	C	S	.	.	H	α-helix	trans	-65.2	-39.9	177.6	-72.3	-61.6	153.4	0	0	111.8	V519 L522 I580 Y581 H586 L587 L588	V519-E584 HydrophobicContact CG1-CG 4.08Å; L522-E584 HydrophobicContact CB-CB 4.37Å; L522-E584 HydrophobicContact CD1-CB 3.98Å; I580-E584 HydrophobicContact CG2-CG 4.12Å; I580-E584 WeakPolarHBondContact O-CB 3.21Å; I580-E584 WeakPolarHBondContact O-CG 2.91Å; I580-E584 PolarHBondContact O-N 3.06Å; Y581-E584 PolarHBondContact O-N 3.39Å; E584-H586 VanDerWaalsContact C-N 3.35Å; E584-L587 PolarHBondContact O-N 3.28Å; E584-L588 WeakPolarHBondContact O-CB 3.47Å; E584-L588 PolarHBondContact O-N 3.03Å
585	L	80.6	Confident	69.4	Low	19 Å²	19	59.8 Å²	59.8	10%	0.099	31%	0.313	C	S	.	.	H	α-helix	trans	-64.7	-41.6	175.7	-176.7	62.7	0	0	0	110.9	L522 T539 Y581 R582 L588 M589	L522-L585 HydrophobicContact CD1-CB 3.85Å; L522-L585 HydrophobicContact CD2-CD1 4.07Å; T539-L585 HydrophobicContact CG2-CD1 4.19Å; Y581-L585 HydrophobicContact CE1-CD2 4.02Å; Y581-L585 WeakPolarHBondContact O-CB 3.34Å; Y581-L585 PolarHBondContact O-N 3.04Å; R582-L585 PolarHBondContact O-N 3.1Å; L585-L588 CarbonylContact O-C 3.48Å; L585-L588 PolarHBondContact O-N 3.23Å; L585-M589 HydrophobicContact CG-SD 4.37Å; L585-M589 WeakPolarHBondContact O-CB 2.78Å; L585-M589 VanDerWaalsContact O-CG 3.26Å; L585-M589 WeakPolarHBondContact O-CG 3.38Å; L585-M589 PolarHBondContact O-N 3.17Å
586	H	74.7	Confident	68	Low	116 Å²	116	65.3 Å²	65.3	54%	0.537	34%	0.342	S	S	.	.	H	α-helix	trans	-64.8	-44	176.3	-177.1	-105.5	0	0	0	111.7	R582 Q583 E584 L588 M589 N590	R582-H586 WeakPolarHBondContact O-CB 3.35Å; R582-H586 PolarHBondContact O-N 3.16Å; Q583-H586 PolarHBondContact O-N 3.23Å; E584-H586 VanDerWaalsContact C-N 3.35Å; H586-L588 VanDerWaalsContact C-N 3.28Å; H586-L588 PolarHBondContact O-N 3.33Å; H586-M589 PolarHBondContact O-N 3.2Å; H586-N590 PolarHBondContact CE1-ND2 3.13Å; H586-N590 PolarHBondContact ND1-ND2 3.47Å; H586-N590 VanDerWaalsContact O-CG 3.24Å; H586-N590 PolarHBondContact O-N 3.25Å; H586-N590 PolarHBondContact O-ND2 2.58Å
587	L	71.9	Confident	66.4	Low	75 Å²	75	67.5 Å²	67.5	39%	0.393	35%	0.35	S	S	.	.	H	α-helix	trans	-57.1	-44.4	171.8	-73.7	170.5	0	0	0	111.3	Q583 E584 N590 L591	Q583-L587 HydrophobicContact CG-CD1 4.45Å; Q583-L587 VanDerWaalsContact O-CG 3.31Å; Q583-L587 WeakPolarHBondContact O-CG 3.29Å; Q583-L587 PolarHBondContact O-N 3.36Å; E584-L587 PolarHBondContact O-N 3.28Å; L587-N590 PolarHBondContact O-N 2.88Å; L587-L591 VanDerWaalsContact O-CG 3.32Å; L587-L591 WeakPolarHBondContact O-CG 3.28Å; L587-L591 PolarHBondContact O-N 2.78Å
588	L	74.4	Confident	64.4	Low	1 Å²	1	71.7 Å²	71.7	1%	0.005	37%	0.367	C	S	.	.	H	α-helix	trans	-67.2	-38.7	179.4	-167	151.7	0	0	0	112.1	L522 A525 R526 L537 E584 L585 H586 N590 L591 A592 L706 I708	L522-L588 HydrophobicContact CB-CD1 4.18Å; L522-L588 HydrophobicContact CD2-CD1 4.4Å; L522-L588 VanDerWaalsContact O-CD1 3.25Å; L522-L588 WeakPolarHBondContact O-CD1 3.26Å; A525-L588 HydrophobicContact CB-CD1 4Å; R526-L588 HydrophobicContact CB-CD1 4.42Å; L537-L588 HydrophobicContact CD2-CD1 3.8Å; L537-L588 HydrophobicContact CD2-CD2 3.67Å; L537-L588 HydrophobicContact CD2-CG 4.42Å; E584-L588 WeakPolarHBondContact O-CB 3.47Å; E584-L588 PolarHBondContact O-N 3.03Å; L585-L588 CarbonylContact O-C 3.48Å; L585-L588 PolarHBondContact O-N 3.23Å; H586-L588 VanDerWaalsContact C-N 3.28Å; H586-L588 PolarHBondContact O-N 3.33Å; L588-N590 VanDerWaalsContact C-N 3.33Å; L588-L591 PolarHBondContact O-N 2.72Å; L588-A592 WeakPolarHBondContact O-CB 3.15Å; L588-A592 PolarHBondContact O-N 2.96Å; L588-L706 HydrophobicContact CD1-CD2 3.95Å; L588-L706 HydrophobicContact CD2-CD1 4.28Å; L588-L706 HydrophobicContact CD2-CD2 3.23Å; L588-L706 HydrophobicContact CD2-CG 3.87Å; L588-L706 HydrophobicContact CG-CD2 3.37Å; L588-L706 HydrophobicContact CG-CG 4.47Å; L588-I708 HydrophobicContact CD2-CD1 3.42Å; L588-I708 VanDerWaalsContact CD2-CD1 3.42Å; L588-I708 HydrophobicContact CD2-CG1 3.62Å
589	M	72.2	Confident	62.4	Low	73 Å²	73	74.9 Å²	74.9	36%	0.36	40%	0.4	S	S	.	.	H	α-helix	trans	-64.6	-36	173	-75.1	-179	71.6	0	0	112.5	L585 H586 I708	L585-M589 HydrophobicContact CG-SD 4.37Å; L585-M589 WeakPolarHBondContact O-CB 2.78Å; L585-M589 VanDerWaalsContact O-CG 3.26Å; L585-M589 WeakPolarHBondContact O-CG 3.38Å; L585-M589 PolarHBondContact O-N 3.17Å; H586-M589 PolarHBondContact O-N 3.2Å; M589-I708 HydrophobicContact CB-CD1 4.25Å; M589-I708 HydrophobicContact CG-CD1 3.42Å; M589-I708 VanDerWaalsContact CG-CD1 3.42Å
590	N	66.5	Low	60.4	Low	97 Å²	97	75.9 Å²	75.9	52%	0.519	40%	0.397	S	S	.	.	H	α-helix	trans	-72.3	-31.7	176.7	-70.3	-27.9	0	0	0	112.7	H586 L587 L588	H586-N590 PolarHBondContact CE1-ND2 3.13Å; H586-N590 PolarHBondContact ND1-ND2 3.47Å; H586-N590 VanDerWaalsContact O-CG 3.24Å; H586-N590 PolarHBondContact O-N 3.25Å; H586-N590 PolarHBondContact O-ND2 2.58Å; L587-N590 PolarHBondContact O-N 2.88Å; L588-N590 VanDerWaalsContact C-N 3.33Å
591	L	62.8	Low	58.5	Low	113 Å²	113	81.5 Å²	81.5	59%	0.592	43%	0.427	S	S	*	.	H	α-helix	trans	-85.3	-23.6	175.9	-68.7	169.6	0	0	0	113	R526 L587 L588	R526-L591 HydrophobicContact CG-CD1 3.89Å; L587-L591 VanDerWaalsContact O-CG 3.32Å; L587-L591 WeakPolarHBondContact O-CG 3.28Å; L587-L591 PolarHBondContact O-N 2.78Å; L588-L591 PolarHBondContact O-N 2.72Å
592	A	60.8	Low	56.4	Low	11 Å²	11	85.9 Å²	85.9	9%	0.091	45%	0.451	C	S	.	.	S	Bend	trans	-66.6	140.6	177.1	0	0	0	0	0	109.7	L588 K594 I708	L588-A592 WeakPolarHBondContact O-CB 3.15Å; L588-A592 PolarHBondContact O-N 2.96Å; A592-K594 PolarHBondContact O-N 2.92Å; A592-I708 HydrophobicContact CB-CD1 4.19Å
593	P	53.7	Low	54.4	Low	90 Å²	90	87.9 Å²	87.9	58%	0.584	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-53.8	119.4	170.2	-19.7	30.3	0	0	0	108.8	L706	P593-L706 WeakPolarHBondContact CD-O 3.42Å
594	K	46.9	Very low	52.8	Low	156 Å²	156	87.5 Å²	87.5	68%	0.678	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-57.3	131.5	-180	-70	-175.9	178.5	179.9	0	108.8	A592 N596	A592-K594 PolarHBondContact O-N 2.92Å; K594-N596 PolarHBondContact O-N 2.76Å
595	P	43.4	Very low	51.2	Low	94 Å²	94	90.3 Å²	90.3	61%	0.61	49%	0.486	S	S	*	.	S	Bend	trans	-58	-20.1	179.1	-21.4	30.5	0	0	0	113.8	Q597	P595-Q597 PolarHBondContact O-N 3.26Å
596	N	34.6	Very low	49.2	Very low	126 Å²	126	97 Å²	97	67%	0.674	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	39.8	-161.9	-61.8	20.8	0	0	0	114.8	K594	K594-N596 PolarHBondContact O-N 2.76Å
597	Q	38.2	Very low	47.4	Very low	128 Å²	128	100.4 Å²	100.4	60%	0.598	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.1	-0.1	168.9	-75.2	-173.4	-3.5	0	0	114.1	P595	P595-Q597 PolarHBondContact O-N 3.26Å
598	Y	31.3	Very low	45.8	Very low	89 Å²	89	103.5 Å²	103.5	35%	0.349	56%	0.555	S	S	.	*	S	Bend	trans	-129.8	22.3	-168.1	-60.1	-45	0	0	0	116.7	L600 V695 G696	Y598-L600 PolarHBondContact O-N 2.84Å; Y598-L600 VanDerWaalsContact O-N 3.1Å; Y598-V695 WeakPolarHBondContact CE2-O 3.46Å; Y598-V695 VanDerWaalsContact CZ-O 3.28Å; Y598-V695 PolarHBondContact OH-N 3.38Å; Y598-V695 VanDerWaalsContact OH-N 3.12Å; Y598-V695 PolarHBondContact OH-O 3.36Å; Y598-G696 VanDerWaalsContact CZ-CA 3.45Å; Y598-G696 PolarHBondContact OH-N 3.33Å; Y598-G696 VanDerWaalsContact OH-N 3.16Å
599	G	31.7	Very low	44	Very low	70 Å²	70	111 Å²	111	72%	0.722	60%	0.595	S	S	*	*	S	Bend	trans	61.4	23.8	172.2	0	0	0	0	0	113.9	D601	G599-D601 VanDerWaalsContact C-N 3.33Å
600	L	32.3	Very low	42.2	Very low	82 Å²	82	116.5 Å²	116.5	43%	0.429	62%	0.62	S	S	.	*			trans	-94.3	80.6	156.6	-70.1	-173.2	0	0	0	105.8	Y598 I698	Y598-L600 PolarHBondContact O-N 2.84Å; Y598-L600 VanDerWaalsContact O-N 3.1Å; L600-I698 HydrophobicContact CD1-CD1 3.47Å; L600-I698 VanDerWaalsContact CD1-CD1 3.47Å; L600-I698 HydrophobicContact CD1-CG1 3.47Å; L600-I698 VanDerWaalsContact CD1-CG1 3.47Å; L600-I698 HydrophobicContact CD1-CG2 4.37Å; L600-I698 HydrophobicContact CD2-CD1 3.49Å; L600-I698 VanDerWaalsContact CD2-CD1 3.49Å; L600-I698 HydrophobicContact CD2-CG1 4.43Å; L600-I698 HydrophobicContact CG-CD1 3.46Å; L600-I698 VanDerWaalsContact CG-CD1 3.46Å; L600-I698 HydrophobicContact CG-CG1 3.92Å
601	D	36.5	Very low	40.6	Very low	129 Å²	129	120.1 Å²	120.1	69%	0.69	64%	0.638	S	S	*	*			trans	-53.1	144.7	151.8	-62.8	-39.5	0	0	0	106.8	G599 L603	G599-D601 VanDerWaalsContact C-N 3.33Å; D601-L603 PolarHBondContact O-N 2.97Å
602	D	37.1	Very low	39.3	Very low	94 Å²	94	122.5 Å²	122.5	50%	0.503	65%	0.651	S	S	.	*			trans	-60.7	76.4	172.1	-67.9	-54.7	0	0	0	108.4	D604 D605	D602-D604 PolarHBondContact O-N 3.29Å; D602-D605 HydrophobicContact CB-CB 3.88Å; D602-D605 PolarHBondContact O-N 2.82Å; D602-D605 VanDerWaalsContact O-N 3.11Å
603	L	38.7	Very low	38.2	Very low	149 Å²	149	130.4 Å²	130.4	78%	0.78	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	13.3	179.5	-76.1	176.3	0	0	0	112.9	D601	D601-L603 PolarHBondContact O-N 2.97Å
604	D	42.5	Very low	37.4	Very low	112 Å²	112	137.5 Å²	137.5	60%	0.599	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.9	23.1	174	-66.7	-18.2	0	0	0	111.3	D602 R711 K717	D602-D604 PolarHBondContact O-N 3.29Å; D604-R711 PolarHBondContact O-NH1 2.82Å; D604-R711 VanDerWaalsContact O-NH1 3.1Å; D604-K717 IonicContact OD2-NZ 3.95Å
605	D	43.9	Very low	37	Very low	73 Å²	73	135.7 Å²	135.7	39%	0.39	71%	0.71	S	S	.	*	S	Bend	trans	-112.7	4	176.4	-80.6	-13.1	0	0	0	115	D602 R711	D602-D605 HydrophobicContact CB-CB 3.88Å; D602-D605 PolarHBondContact O-N 2.82Å; D602-D605 VanDerWaalsContact O-N 3.11Å; D605-R711 IonicContact OD1-CZ 3.13Å; D605-R711 IonicContact OD1-NH1 2.68Å; D605-R711 PolarHBondContact OD1-NH1 3.05Å; D605-R711 IonicContact OD1-NH2 2.71Å; D605-R711 PolarHBondContact OD1-NH2 2.98Å
606	D	39.6	Very low	36.7	Very low	158 Å²	158	138.3 Å²	138.3	85%	0.845	72%	0.719	S	S	*	*	S	Bend	trans	-122.3	20.2	-179.4	-67.9	-40.1	0	0	0	115.5
607	E	37.4	Very low	36.9	Very low	188 Å²	188	139.7 Å²	139.7	88%	0.879	73%	0.727	S	S	*	*			trans	-116.2	17.3	177.9	-76.5	-156.6	176.6	0	0	115.9
608	D	37.2	Very low	36.8	Very low	140 Å²	140	137.1 Å²	137.1	75%	0.749	73%	0.734	S	S	*	*			trans	-102.6	25.5	179.3	-71.9	-30.9	0	0	0	114.4
609	D	35.9	Very low	37	Very low	160 Å²	160	144.5 Å²	144.5	86%	0.856	76%	0.761	S	S	*	*	S	Bend	trans	-124	58.9	178.2	-75.3	-29.6	0	0	0	113.2
610	E	35.8	Very low	37.2	Very low	187 Å²	187	149.1 Å²	149.1	87%	0.874	76%	0.764	S	S	*	*			trans	-173	57.3	158	-119.1	-177.8	-169.9	0	0	114.8
611	L	33.1	Very low	37.5	Very low	173 Å²	173	151.7 Å²	151.7	91%	0.906	78%	0.777	S	S	*	*			trans	-141.5	72	165	-86.4	174.8	0	0	0	111.3
612	D	34.6	Very low	37.4	Very low	163 Å²	163	152.2 Å²	152.2	87%	0.872	78%	0.78	S	S	*	*			trans	-145.2	142.5	156.6	-88.1	-34.8	0	0	0	109.6
613	Q	37.3	Very low	37.4	Very low	177 Å²	177	154.4 Å²	154.4	83%	0.827	79%	0.791	S	S	*	*			trans	86.2	81.5	178.7	-60.2	173.2	13.3	0	0	117.3
614	Y	38.6	Very low	37.3	Very low	240 Å²	240	154.8 Å²	154.8	94%	0.941	79%	0.789	S	S	*	*				-149.5	105.3	121.6	-86.7	-73.1	0	0	0	108.6
615	S	38.2	Very low	37.2	Very low	118 Å²	118	155.2 Å²	155.2	83%	0.825	79%	0.791	S	S	*	*			trans	-141	133.6	162.6	-64.9	0	0	0	0	107.4
616	D	36.9	Very low	37	Very low	149 Å²	149	157.6 Å²	157.6	80%	0.797	80%	0.804	S	S	*	*			trans	73.3	103.3	167.2	-114	4.3	0	0	0	118.1
617	D	38.5	Very low	37.1	Very low	155 Å²	155	157.2 Å²	157.2	83%	0.829	80%	0.797	S	S	*	*				171.2	145.9	100.6	-93	-30.4	0	0	0	111.7
618	G	36.7	Very low	37.4	Very low	73 Å²	73	154.2 Å²	154.2	75%	0.753	79%	0.787	S	S	*	*			trans	115	68.4	155.6	0	0	0	0	0	117.1
619	R	33.8	Very low	37.8	Very low	244 Å²	244	154.9 Å²	154.9	92%	0.921	79%	0.79	S	S	*	*			trans	-62.6	127.5	143.4	-79.2	178.3	175.1	171.9	-0.1	108
620	E	36.9	Very low	38.1	Very low	167 Å²	167	155.7 Å²	155.7	78%	0.78	79%	0.789	S	S	*	*				170.5	118.5	117.5	-91.9	-175.2	162.6	0	0	112.7
621	I	39.3	Very low	38.2	Very low	137 Å²	137	156.2 Å²	156.2	70%	0.703	79%	0.785	S	S	*	*				58.4	103.6	128.2	-50	166.8	0	0	0	118.6
622	N	33.8	Very low	38.5	Very low	139 Å²	139	155 Å²	155	74%	0.743	78%	0.779	S	S	*	*				21.2	119.7	129.9	-52.7	-19.2	0	0	0	119.4
623	N	37.4	Very low	38.5	Very low	140 Å²	140	154.1 Å²	154.1	75%	0.749	77%	0.774	S	S	*	*				174.6	113.9	116.5	-90.4	-13.2	0	0	0	108.7
624	E	36.9	Very low	38.5	Very low	157 Å²	157	153.6 Å²	153.6	73%	0.734	78%	0.777	S	S	*	*				54.4	104.3	105.4	-68.7	-169.9	174.1	0	0	113.8
625	N	39.1	Very low	38.3	Very low	121 Å²	121	151.7 Å²	151.7	65%	0.647	77%	0.774	S	S	*	*				158.6	124.2	106.8	-84	-50.4	0	0	0	113.2
626	N	39.5	Very low	38.1	Very low	124 Å²	124	155 Å²	155	66%	0.663	78%	0.776	S	S	*	*				80	135.2	128.8	-63	-22.4	0	0	0	123
627	H	43	Very low	37.9	Very low	150 Å²	150	155.9 Å²	155.9	69%	0.694	78%	0.779	S	S	*	*			trans	82.6	101.1	152.2	-67.1	-37.6	0	0	0	116.6
628	D	42.2	Very low	37.7	Very low	124 Å²	124	154.4 Å²	154.4	66%	0.663	78%	0.778	S	S	*	*				79.9	139.1	66.2	-68.7	-31.3	0	0	0	111.7
629	D	46.9	Very low	37.3	Very low	154 Å²	154	153.9 Å²	153.9	82%	0.824	77%	0.773	S	S	*	*			trans	81	130.6	166.2	-49	-28.6	0	0	0	114.8
630	E	40.6	Very low	37.1	Very low	177 Å²	177	150.2 Å²	150.2	83%	0.827	77%	0.77	S	S	*	*			cis	-169	152.5	6	-173	171.1	-175.7	0	0	108.1
631	Y	39.8	Very low	36.8	Very low	199 Å²	199	150.8 Å²	150.8	78%	0.78	77%	0.773	S	S	*	*			trans	-32.8	137	168.3	-74.9	-104	0	0	0	116.8
632	N	38.3	Very low	36.1	Very low	148 Å²	148	149.2 Å²	149.2	79%	0.791	77%	0.77	S	S	*	*				-178.7	138.8	96.6	-95.3	-47.8	0	0	0	113.2
633	N	34	Very low	36.2	Very low	143 Å²	143	148.5 Å²	148.5	77%	0.765	77%	0.77	S	S	*	*			trans	-59.5	135.5	172.2	-66.4	-65.2	0	0	0	111.3
634	D	38.2	Very low	35.9	Very low	167 Å²	167	149.1 Å²	149.1	89%	0.893	77%	0.773	S	S	*	*			trans	-153	131.1	130.1	-99.3	-30.6	0	0	0	111.3	Q636	D634-Q636 PolarHBondContact O-N 2.77Å
635	K	34.5	Very low	35.5	Very low	200 Å²	200	146.8 Å²	146.8	87%	0.87	78%	0.775	S	S	*	*			trans	-65.3	118.7	174.5	-68.3	170.5	175.8	177.6	0	108.9
636	Q	33.3	Very low	35	Very low	187 Å²	187	148.4 Å²	148.4	87%	0.874	78%	0.783	S	S	*	*			trans	-162.8	132.4	144.3	-112.7	166.4	50.4	0	0	111.6	D634 P638	D634-Q636 PolarHBondContact O-N 2.77Å; Q636-P638 WeakPolarHBondContact O-CD 3.37Å
637	I	33	Very low	34.8	Very low	168 Å²	168	149 Å²	149	86%	0.862	79%	0.786	S	S	*	*			trans	-68.2	126	176.1	-61.2	160.1	0	0	0	108.6
638	P	34.2	Very low	34.3	Very low	123 Å²	123	148.9 Å²	148.9	80%	0.799	79%	0.791	S	S	*	*			trans	-99.8	114.5	169.5	-1.2	22	0	0	0	111.1	Q636	Q636-P638 WeakPolarHBondContact O-CD 3.37Å
639	G	29.5	Very low	33.8	Very low	63 Å²	63	146.2 Å²	146.2	65%	0.649	79%	0.793	S	S	*	*			trans	-96.2	159.2	150.6	0	0	0	0	0	110.5
640	L	28.2	Very low	33	Very low	166 Å²	166	145.5 Å²	145.5	87%	0.869	79%	0.789	S	S	*	*			trans	69.2	116.9	156.9	-74.5	145.3	0	0	0	119
641	H	30.3	Very low	32.6	Very low	180 Å²	180	144.3 Å²	144.3	83%	0.833	78%	0.783	S	S	*	*			trans	-131	118.1	138.9	-148.7	-64	0	0	0	110.5
642	T	25.8	Very low	32.2	Very low	103 Å²	103	139.6 Å²	139.6	63%	0.632	78%	0.775	S	S	*	*			trans	-81.9	142.9	172.2	-40.9	0	0	0	0	109.9
643	V	34.9	Very low	31.8	Very low	125 Å²	125	139 Å²	139	76%	0.758	77%	0.772	S	S	*	*			trans	-150.4	97	153	-172.8	0	0	0	0	107.4
644	N	31.6	Very low	31.9	Very low	152 Å²	152	139.5 Å²	139.5	81%	0.813	77%	0.774	S	S	*	*				69.9	105.9	99.8	-106.9	9.8	0	0	0	115.4
645	S	28.3	Very low	31.5	Very low	109 Å²	109	138.5 Å²	138.5	76%	0.762	77%	0.769	S	S	*	*			trans	-96.7	130.3	164.4	-56.3	0	0	0	0	109.7
646	N	28.4	Very low	31.4	Very low	154 Å²	154	136.5 Å²	136.5	82%	0.824	77%	0.768	S	S	*	*			trans	167.7	119.5	145.2	-87.3	-11.7	0	0	0	108.4
647	D	35.4	Very low	31	Very low	137 Å²	137	132.4 Å²	132.4	73%	0.733	76%	0.76	S	S	*	*				177.2	125.7	119.4	-100.8	-15.6	0	0	0	113
648	N	33.6	Very low	30.9	Very low	148 Å²	148	131.2 Å²	131.2	79%	0.791	75%	0.754	S	S	*	*			trans	65.4	126	132.4	-59.1	-31.5	0	0	0	122.1
649	G	32.1	Very low	30.4	Very low	68 Å²	68	129.8 Å²	129.8	70%	0.701	75%	0.747	S	S	*	*				142.1	85.9	123.7	0	0	0	0	0	118.1
650	N	29.2	Very low	30.4	Very low	138 Å²	138	134.5 Å²	134.5	74%	0.738	76%	0.756	S	S	*	*			trans	20.7	134	140.4	-58.3	-12.7	0	0	0	121.4
651	H	32.8	Very low	30.2	Very low	153 Å²	153	129.8 Å²	129.8	71%	0.708	75%	0.747	S	S	*	*				164.7	106.8	97.3	-101.9	-66.4	0	0	0	110.3
652	T	31.4	Very low	30.3	Very low	100 Å²	100	127.5 Å²	127.5	61%	0.613	75%	0.748	S	S	*	*				73.8	113.8	104.4	57.6	0	0	0	0	117
653	N	30.1	Very low	30.5	Very low	135 Å²	135	128.6 Å²	128.6	72%	0.722	76%	0.76	S	S	*	*				45.8	131.4	129.9	-44.2	-9.9	0	0	0	120
654	D	34.9	Very low	30.1	Very low	153 Å²	153	128.1 Å²	128.1	82%	0.818	76%	0.762	S	S	*	*				178.7	140.1	96.2	-85.8	-29.6	0	0	0	111.8
655	D	30.4	Very low	30.1	Very low	147 Å²	147	125.7 Å²	125.7	79%	0.786	76%	0.763	S	S	*	*			trans	-58.4	146.2	172.1	-60.5	-64.1	0	0	0	112.9
656	N	31.7	Very low	29.9	Very low	158 Å²	158	127.8 Å²	127.8	85%	0.845	77%	0.766	S	S	*	*				-167.7	136.9	124.9	-106.2	-21.4	0	0	0	115
657	S	25.8	Very low	30.1	Very low	101 Å²	101	127.5 Å²	127.5	71%	0.706	77%	0.769	S	S	*	*			trans	-82.5	-174.3	175.7	56	0	0	0	0	112.3
658	I	30.2	Very low	29.7	Very low	142 Å²	142	130.5 Å²	130.5	73%	0.728	77%	0.77	S	S	*	*			trans	115.1	95.4	170.1	-59.9	156.4	0	0	0	110.2
659	S	24.7	Very low	29.7	Very low	94 Å²	94	132.7 Å²	132.7	66%	0.657	78%	0.776	S	S	*	*				75.5	139.6	58.7	94.4	0	0	0	0	115.6
660	I	28.4	Very low	29.4	Very low	162 Å²	162	136 Å²	136	83%	0.831	77%	0.773	S	S	*	*			trans	98.3	100.6	158.7	-52.3	150.1	0	0	0	117.1
661	G	24.6	Very low	29.4	Very low	67 Å²	67	134.7 Å²	134.7	69%	0.691	77%	0.766	S	S	*	*				119.8	151.1	101.4	0	0	0	0	0	117.9
662	P	32.5	Very low	29.1	Very low	131 Å²	131	134.2 Å²	134.2	85%	0.851	77%	0.768	S	S	*	*			trans	-113.5	159.2	-142.9	36.8	-23.6	0	0	0	113.6
663	S	29.3	Very low	29	Very low	126 Å²	126	135.4 Å²	135.4	88%	0.881	78%	0.775	S	S	*	*			trans	-157.5	131.9	146.9	58.9	0	0	0	0	112.3
664	S	26.7	Very low	28.8	Very low	116 Å²	116	135.4 Å²	135.4	81%	0.811	78%	0.776	S	S	*	*			trans	-71.8	144.3	-177.8	51.6	0	0	0	0	114.2
665	A	30.9	Very low	28.6	Very low	100 Å²	100	138 Å²	138	83%	0.826	78%	0.78	S	S	*	*			trans	-161.8	110.8	131.7	0	0	0	0	0	110.9
666	N	25.6	Very low	28.4	Very low	153 Å²	153	138.9 Å²	138.9	82%	0.818	78%	0.784	S	S	*	*			trans	-26.8	136.8	162.8	-60.2	-43.6	0	0	0	115.5
667	V	32	Very low	28.2	Very low	148 Å²	148	137.5 Å²	137.5	90%	0.897	78%	0.777	S	S	*	*				-154.4	128.5	101.7	175.2	0	0	0	0	108.3
668	R	26.1	Very low	28.3	Very low	200 Å²	200	141.9 Å²	141.9	76%	0.755	79%	0.789	S	S	*	*			trans	-79.1	145.1	-175.8	-87.6	168.9	156.1	163.6	-7.8	113.1
669	E	33.3	Very low	28	Very low	195 Å²	195	139.1 Å²	139.1	91%	0.911	78%	0.782	S	S	*	*			trans	177.3	79.8	136.6	-96.6	173.9	-163.8	0	0	104.8
670	H	27.7	Very low	28	Very low	136 Å²	136	140.1 Å²	140.1	63%	0.63	79%	0.788	S	S	*	*				35.7	123.8	79	-85.1	-39.1	0	0	0	112.2
671	N	27.3	Very low	27.9	Very low	112 Å²	112	140.5 Å²	140.5	60%	0.599	79%	0.791	S	S	*	*			cis	-162.5	138.2	9.7	-90.1	-37.4	0	0	0	105.2
672	D	26.5	Very low	28	Very low	142 Å²	142	143 Å²	143	76%	0.759	79%	0.788	S	S	*	*				47.3	127.1	91.2	-65.7	-32.5	0	0	0	113.5
673	V	30.2	Very low	28	Very low	125 Å²	125	147.9 Å²	147.9	76%	0.758	79%	0.791	S	S	*	*			trans	156.5	101.2	134	177	0	0	0	0	109.8
674	D	26.2	Very low	28.2	Very low	136 Å²	136	145.2 Å²	145.2	73%	0.727	77%	0.773	S	S	*	*			trans	55.2	107.8	136.9	-52.4	-22.6	0	0	0	121.5
675	F	29.7	Very low	28.5	Very low	206 Å²	206	145.4 Å²	145.4	90%	0.904	76%	0.764	S	S	*	*			trans	-142.8	31.5	139.2	-99.9	-74.2	0	0	0	112.9	N677	F675-N677 VanDerWaalsContact C-N 3.34Å; F675-N677 PolarHBondContact O-N 2.71Å
676	D	27.1	Very low	28.7	Very low	166 Å²	166	147.4 Å²	147.4	89%	0.888	76%	0.76	S	S	*	*			trans	-93.2	65.3	162.3	-71.9	-36.4	0	0	0	109.2
677	N	27	Very low	28.9	Very low	130 Å²	130	144.1 Å²	144.1	70%	0.695	75%	0.749	S	S	*	*			trans	-161.1	65	170.2	-130	3.8	0	0	0	113.5	F675	F675-N677 VanDerWaalsContact C-N 3.34Å; F675-N677 PolarHBondContact O-N 2.71Å
678	M	27.5	Very low	28.8	Very low	193 Å²	193	142 Å²	142	95%	0.951	74%	0.741	S	S	*	*			trans	-134.5	41.7	150.2	-84	-171.9	-177.1	0	0	110.4
679	S	25	Very low	29	Very low	84 Å²	84	140.1 Å²	140.1	59%	0.587	74%	0.744	S	S	*	*			trans	-67.2	149.5	144	46.9	0	0	0	0	108.7
680	C	24.7	Very low	28.8	Very low	114 Å²	114	135.1 Å²	135.1	77%	0.77	73%	0.727	S	S	*	*			trans	65	72.2	173	70.8	0	0	0	0	118.5	N682	C680-N682 PolarHBondContact O-N 3.16Å
681	L	26.7	Very low	28.8	Very low	171 Å²	171	136.3 Å²	136.3	90%	0.895	74%	0.738	S	S	*	*			trans	-75.1	107.3	137.8	-73.8	-179.4	0	0	0	107.8	Y683	L681-Y683 PolarHBondContact O-N 2.81Å
682	N	26.7	Very low	28.8	Very low	120 Å²	120	138.1 Å²	138.1	64%	0.642	74%	0.742	S	S	*	*			trans	-54.2	123.3	-175.9	-138.6	-10.4	0	0	0	110.5	C680 S684	C680-N682 PolarHBondContact O-N 3.16Å; N682-S684 PolarHBondContact O-N 3.16Å
683	Y	31.9	Very low	29	Very low	232 Å²	232	135.1 Å²	135.1	91%	0.91	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.2	4	-172.7	-117.9	-96.7	0	0	0	114.8	L681	L681-Y683 PolarHBondContact O-N 2.81Å
684	S	32.9	Very low	28.9	Very low	70 Å²	70	133.6 Å²	133.6	49%	0.49	73%	0.727	S	S	.	*	T	Hydrogen-bonded Turn	trans	-104.9	-9.3	-167.5	40.4	0	0	0	0	115.5	N682	N682-S684 PolarHBondContact O-N 3.16Å
685	D	32.9	Very low	29	Very low	120 Å²	120	130.6 Å²	130.6	64%	0.642	71%	0.714	S	S	*	*	S	Bend	trans	-101.6	6.8	-174.1	-80.5	-11.8	0	0	0	115.5
686	I	35.4	Very low	28.9	Very low	142 Å²	142	123.2 Å²	123.2	73%	0.728	70%	0.696	S	S	*	*			trans	-97.6	1.2	-176.4	-61.4	172.1	0	0	0	112.5	S688	I686-S688 VanDerWaalsContact C-N 3.28Å; I686-S688 PolarHBondContact O-N 3.46Å
687	S	29.9	Very low	29	Very low	84 Å²	84	123.5 Å²	123.5	59%	0.587	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	10.6	-172.8	59.9	0	0	0	0	116.5
688	S	30.6	Very low	29	Very low	105 Å²	105	122 Å²	122	73%	0.734	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.4	7.2	-173.2	58.7	0	0	0	0	116.4	I686	I686-S688 VanDerWaalsContact C-N 3.28Å; I686-S688 PolarHBondContact O-N 3.46Å
689	I	30.4	Very low	29.2	Very low	160 Å²	160	118.5 Å²	118.5	82%	0.821	65%	0.651	S	S	*	*			trans	-122.9	11.5	178.8	-87.9	171.8	0	0	0	113.5	D691	I689-D691 PolarHBondContact O-N 3.37Å
690	V	28.5	Very low	29.2	Very low	90 Å²	90	121.3 Å²	121.3	55%	0.545	66%	0.657	S	S	.	*			trans	-84.8	80.8	-179	-171.8	0	0	0	0	110.5
691	D	27.7	Very low	29.3	Very low	161 Å²	161	120.5 Å²	120.5	86%	0.861	65%	0.653	S	S	*	*			trans	-85.8	123.6	158.6	-99.9	-28.1	0	0	0	110	I689 S693	I689-D691 PolarHBondContact O-N 3.37Å; D691-S693 PolarHBondContact O-N 3Å
692	H	28.3	Very low	29.4	Very low	149 Å²	149	118.8 Å²	118.8	69%	0.69	63%	0.634	S	S	*	*			trans	-77.4	115.1	-167.8	-62	-85.2	0	0	0	111.7	S694	H692-S694 PolarHBondContact O-N 3.45Å; H692-S694 VanDerWaalsContact O-N 3.16Å
693	S	30.2	Very low	29.8	Very low	80 Å²	80	117.9 Å²	117.9	56%	0.559	63%	0.628	S	S	*	*			trans	-78.4	95	159.1	173.6	0	0	0	0	109.3	D691 V695	D691-S693 PolarHBondContact O-N 3Å; S693-V695 PolarHBondContact O-N 3.41Å
694	S	27.7	Very low	30.7	Very low	93 Å²	93	110 Å²	110	65%	0.65	61%	0.605	S	S	*	*			trans	-52.9	114.9	159.8	55.4	0	0	0	0	110	H692	H692-S694 PolarHBondContact O-N 3.45Å; H692-S694 VanDerWaalsContact O-N 3.16Å
695	V	28.6	Very low	32.1	Very low	72 Å²	72	107.9 Å²	107.9	44%	0.436	59%	0.594	S	S	.	*			trans	171.2	102.9	133.3	164.3	0	0	0	0	112.4	Y598 S693 R697 M703	Y598-V695 WeakPolarHBondContact CE2-O 3.46Å; Y598-V695 VanDerWaalsContact CZ-O 3.28Å; Y598-V695 PolarHBondContact OH-N 3.38Å; Y598-V695 VanDerWaalsContact OH-N 3.12Å; Y598-V695 PolarHBondContact OH-O 3.36Å; S693-V695 PolarHBondContact O-N 3.41Å; V695-R697 HydrophobicContact CG1-CB 4.31Å; V695-R697 HydrophobicContact CG1-CG 4Å; V695-R697 PolarHBondContact O-N 2.84Å; V695-M703 HydrophobicContact CB-SD 4.01Å; V695-M703 HydrophobicContact CG1-SD 4.37Å; V695-M703 HydrophobicContact CG2-SD 4.22Å
696	G	26.9	Very low	34.1	Very low	51 Å²	51	102.7 Å²	102.7	53%	0.526	57%	0.566	S	S	.	*			trans	-21.5	37.4	155.3	0	0	0	0	0	124.9	Y598	Y598-G696 VanDerWaalsContact CZ-CA 3.45Å; Y598-G696 PolarHBondContact OH-N 3.33Å; Y598-G696 VanDerWaalsContact OH-N 3.16Å
697	R	28.6	Very low	36.2	Very low	172 Å²	172	100 Å²	100	65%	0.649	55%	0.549	S	S	*	.			trans	-140.6	120.9	-169	-64.8	-172.5	-171.6	-178.9	4	119	V695 W699	V695-R697 HydrophobicContact CG1-CB 4.31Å; V695-R697 HydrophobicContact CG1-CG 4Å; V695-R697 PolarHBondContact O-N 2.84Å; R697-W699 PolarHBondContact O-N 3.2Å
698	I	28.4	Very low	38.5	Very low	98 Å²	98	98 Å²	98	50%	0.503	53%	0.531	S	S	.	.	S	Bend	trans	-65.6	102.2	158.1	-56.3	167.4	0	0	0	108.8	L600 M700	L600-I698 HydrophobicContact CD1-CD1 3.47Å; L600-I698 VanDerWaalsContact CD1-CD1 3.47Å; L600-I698 HydrophobicContact CD1-CG1 3.47Å; L600-I698 VanDerWaalsContact CD1-CG1 3.47Å; L600-I698 HydrophobicContact CD1-CG2 4.37Å; L600-I698 HydrophobicContact CD2-CD1 3.49Å; L600-I698 VanDerWaalsContact CD2-CD1 3.49Å; L600-I698 HydrophobicContact CD2-CG1 4.43Å; L600-I698 HydrophobicContact CG-CD1 3.46Å; L600-I698 VanDerWaalsContact CG-CD1 3.46Å; L600-I698 HydrophobicContact CG-CG1 3.92Å; I698-M700 PolarHBondContact O-N 3.32Å
699	W	30.7	Very low	40.8	Very low	120 Å²	120	93.7 Å²	93.7	46%	0.455	50%	0.5	S	S	.	.	S	Bend	trans	44.5	57.9	158.5	-79.9	68.9	0	0	0	119.2	L536 R697 K707	L536-W699 HydrophobicContact CB-CH2 4.02Å; L536-W699 HydrophobicContact CD1-CH2 3.64Å; L536-W699 HydrophobicContact CD1-CZ2 3.6Å; L536-W699 HydrophobicContact CD2-CH2 4.44Å; L536-W699 HydrophobicContact CG-CH2 4.26Å; R697-W699 PolarHBondContact O-N 3.2Å; W699-K707 HydrophobicContact CZ2-CB 3.56Å; W699-K707 HydrophobicContact CZ2-CD 3.82Å; W699-K707 HydrophobicContact CZ2-CG 4.28Å
700	M	26.2	Very low	42.8	Very low	144 Å²	144	92.3 Å²	92.3	71%	0.709	48%	0.484	S	S	*	.			trans	-149.9	110.1	170.7	-64.8	-176.3	57.9	0	0	113.5	I698	I698-M700 PolarHBondContact O-N 3.32Å
701	S	26.2	Very low	44.9	Very low	97 Å²	97	93.3 Å²	93.3	68%	0.678	48%	0.478	S	S	*	.	S	Bend	trans	61.7	115	155.8	67.8	0	0	0	0	119.1
702	R	29.4	Very low	47	Very low	134 Å²	134	86.3 Å²	86.3	51%	0.506	44%	0.441	S	S	.	.	S	Bend	trans	91.9	0.1	156.2	-60.6	-171.9	173	154.8	-0.9	121.5	H500	H500-R702 PolarHBondContact ND1-NH2 3.07Å
703	M	34.6	Very low	49	Very low	102 Å²	102	81.3 Å²	81.3	50%	0.502	42%	0.423	S	S	.	.			trans	-113	130.1	167.6	-78.7	179.7	77.8	0	0	112.3	C534 V695	C534-M703 PolarHBondContact SG-O 2.74Å; C534-M703 VanDerWaalsContact SG-O 3.36Å; V695-M703 HydrophobicContact CB-SD 4.01Å; V695-M703 HydrophobicContact CG1-SD 4.37Å; V695-M703 HydrophobicContact CG2-SD 4.22Å
704	P	50.5	Low	51	Low	67 Å²	67	79.8 Å²	79.8	44%	0.435	41%	0.412	S	S	.	.			trans	-49.9	143.5	164.9	-25.4	35.5	0	0	0	111	G532	G532-P704 VanDerWaalsContact C-CB 3.48Å; G532-P704 WeakPolarHBondContact O-CG 3.29Å
705	G	62.5	Low	53.2	Low	24 Å²	24	75.4 Å²	75.4	25%	0.247	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.9	155	179	0	0	0	0	0	113.9	A533 C534 V535	A533-G705 PolarHBondContact O-N 3.18Å; C534-G705 CarbonylContact C-O 3.44Å; C534-G705 WeakPolarHBondContact CA-O 3.33Å; V535-G705 PolarHBondContact N-O 2.87Å
706	L	75.3	Confident	55.5	Low	12 Å²	12	74.6 Å²	74.6	6%	0.063	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	122	179.9	179.9	57.7	0	0	0	109.1	A525 V535 L537 L588 P593	A525-L706 HydrophobicContact CB-CD1 4.16Å; V535-L706 HydrophobicContact CB-CD1 3.75Å; V535-L706 HydrophobicContact CG1-CD1 3.61Å; V535-L706 WeakPolarHBondContact O-CA 3.38Å; L537-L706 HydrophobicContact CB-CD1 4.08Å; L588-L706 HydrophobicContact CD1-CD2 3.95Å; L588-L706 HydrophobicContact CD2-CD1 4.28Å; L588-L706 HydrophobicContact CD2-CD2 3.23Å; L588-L706 HydrophobicContact CD2-CG 3.87Å; L588-L706 HydrophobicContact CG-CD2 3.37Å; L588-L706 HydrophobicContact CG-CG 4.47Å; P593-L706 WeakPolarHBondContact CD-O 3.42Å
707	K	79.3	Confident	57.8	Low	86 Å²	86	79.5 Å²	79.5	37%	0.374	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	128	169	-179.2	169	174.2	173.3	0	109.4	V535 L536 L537 W699 I709	V535-K707 PolarHBondContact O-N 3.42Å; L536-K707 HydrophobicContact CD1-CB 3.85Å; L536-K707 HydrophobicContact CD1-CD 4.18Å; L536-K707 HydrophobicContact CD1-CG 4.05Å; L537-K707 PolarHBondContact N-O 3.47Å; W699-K707 HydrophobicContact CZ2-CB 3.56Å; W699-K707 HydrophobicContact CZ2-CD 3.82Å; W699-K707 HydrophobicContact CZ2-CG 4.28Å; K707-I709 HydrophobicContact CG-CG1 4.42Å
708	I	78.1	Confident	60.1	Low	41 Å²	41	74 Å²	74	21%	0.21	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	130.4	174.3	-51	173.7	0	0	0	107.8	L537 T539 L588 M589 A592	L537-I708 HydrophobicContact CD2-CG1 4.45Å; L537-I708 CarbonylContact O-C 3.54Å; L537-I708 WeakPolarHBondContact O-CA 3.36Å; T539-I708 HydrophobicContact CG2-CG2 3.48Å; T539-I708 VanDerWaalsContact CG2-CG2 3.48Å; L588-I708 HydrophobicContact CD2-CD1 3.42Å; L588-I708 VanDerWaalsContact CD2-CD1 3.42Å; L588-I708 HydrophobicContact CD2-CG1 3.62Å; M589-I708 HydrophobicContact CB-CD1 4.25Å; M589-I708 HydrophobicContact CG-CD1 3.42Å; M589-I708 VanDerWaalsContact CG-CD1 3.42Å; A592-I708 HydrophobicContact CB-CD1 4.19Å
709	I	78	Confident	62.3	Low	14 Å²	14	73.2 Å²	73.2	7%	0.072	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	125.9	174.5	-71	-179.3	0	0	0	108	L536 L537 V538 T539 K707 R711 S714 V715	L536-I709 HydrophobicContact CD1-CD1 3.27Å; L536-I709 HydrophobicContact CD1-CG1 3.77Å; L536-I709 HydrophobicContact CD2-CD1 3.72Å; L536-I709 HydrophobicContact CG-CD1 3.61Å; L536-I709 HydrophobicContact CG-CG1 4.38Å; L537-I709 PolarHBondContact O-N 2.84Å; V538-I709 WeakPolarHBondContact CA-O 3.4Å; T539-I709 PolarHBondContact N-O 3.42Å; K707-I709 HydrophobicContact CG-CG1 4.42Å; I709-R711 WeakPolarHBondContact CG2-O 3.42Å; I709-S714 WeakPolarHBondContact CG2-OG 3.26Å; I709-V715 HydrophobicContact CD1-CG2 3.57Å; I709-V715 HydrophobicContact CG2-CG2 4.15Å
710	R	73.8	Confident	64.5	Low	132 Å²	132	70 Å²	70	50%	0.498	36%	0.362	S	S	.	.	S	Bend	trans	-91.7	-32.9	177.6	-62.5	-173	-177.1	120.7	-2.9	113.4	T539 P712	T539-R710 WeakPolarHBondContact O-CA 3.4Å; R710-P712 WeakPolarHBondContact O-CD 3.25Å
711	R	71.3	Confident	66.8	Low	111 Å²	111	67.4 Å²	67.4	42%	0.419	36%	0.357	S	S	.	.			trans	-101.9	109.6	179.2	-65.6	-172.5	-178.9	110.2	-0.7	109.9	D604 D605 I709 S713 S714	D604-R711 PolarHBondContact O-NH1 2.82Å; D604-R711 VanDerWaalsContact O-NH1 3.1Å; D605-R711 IonicContact OD1-CZ 3.13Å; D605-R711 IonicContact OD1-NH1 2.68Å; D605-R711 PolarHBondContact OD1-NH1 3.05Å; D605-R711 IonicContact OD1-NH2 2.71Å; D605-R711 PolarHBondContact OD1-NH2 2.98Å; I709-R711 WeakPolarHBondContact CG2-O 3.42Å; R711-S713 PolarHBondContact O-N 3.39Å; R711-S714 PolarHBondContact O-N 3.41Å; R711-S714 PolarHBondContact O-OG 3.27Å
712	P	71.8	Confident	69.3	Low	13 Å²	13	65.1 Å²	65.1	8%	0.084	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-26.6	176.6	-26.7	35	0	0	0	113.6	V538 R710 S714 V715 N748 L752	V538-P712 HydrophobicContact CG1-CB 4.36Å; V538-P712 HydrophobicContact CG1-CG 4.1Å; R710-P712 WeakPolarHBondContact O-CD 3.25Å; P712-S714 PolarHBondContact O-N 3.06Å; P712-V715 PolarHBondContact O-N 3.47Å; P712-V715 VanDerWaalsContact O-N 3.07Å; P712-N748 HydrophobicContact CB-CB 4.36Å; P712-N748 HydrophobicContact CG-CB 4.15Å; P712-L752 HydrophobicContact CB-CB 4.15Å; P712-L752 HydrophobicContact CB-CD2 4.26Å
713	S	70.8	Confident	71.8	Confident	44 Å²	44	63.6 Å²	63.6	31%	0.308	33%	0.331	S	S	.	.	H	α-helix	trans	-59.7	-24.2	176.5	60.1	0	0	0	0	113.9	R711 V715 I716	R711-S713 PolarHBondContact O-N 3.39Å; S713-V715 VanDerWaalsContact C-N 3.32Å; S713-I716 WeakPolarHBondContact O-CG1 3.41Å
714	S	71.3	Confident	74.2	Confident	48 Å²	48	59.3 Å²	59.3	34%	0.336	31%	0.31	S	S	.	.	H	α-helix	trans	-75.4	-23.5	176.6	71.6	0	0	0	0	112.7	I709 R711 P712	I709-S714 WeakPolarHBondContact CG2-OG 3.26Å; R711-S714 PolarHBondContact O-N 3.41Å; R711-S714 PolarHBondContact O-OG 3.27Å; P712-S714 PolarHBondContact O-N 3.06Å
715	V	74.3	Confident	75.9	Confident	1 Å²	1	56.4 Å²	56.4	1%	0.006	29%	0.291	C	S	.	.	H	α-helix	trans	-78.7	-40.1	178.4	-177.4	0	0	0	0	110.7	L507 L536 V538 I709 P712 S713 K717 L718 L752 W755	L507-V715 HydrophobicContact CD1-CG1 4.33Å; L536-V715 HydrophobicContact CD2-CG2 4.23Å; V538-V715 HydrophobicContact CG2-CG2 3.7Å; I709-V715 HydrophobicContact CD1-CG2 3.57Å; I709-V715 HydrophobicContact CG2-CG2 4.15Å; P712-V715 PolarHBondContact O-N 3.47Å; P712-V715 VanDerWaalsContact O-N 3.07Å; S713-V715 VanDerWaalsContact C-N 3.32Å; V715-K717 PolarHBondContact O-N 3.43Å; V715-L718 HydrophobicContact CG1-CD1 4.31Å; V715-L718 VanDerWaalsContact O-CB 3.23Å; V715-L718 WeakPolarHBondContact O-CB 3.17Å; V715-L718 WeakPolarHBondContact O-CG 3.38Å; V715-L718 PolarHBondContact O-N 2.89Å; V715-L752 HydrophobicContact CB-CD1 3.82Å; V715-L752 HydrophobicContact CG1-CD1 3.76Å; V715-W755 HydrophobicContact CG1-CE3 4.47Å; V715-W755 HydrophobicContact CG1-CH2 4.31Å; V715-W755 HydrophobicContact CG1-CZ3 4.04Å
716	I	77	Confident	77.2	Confident	55 Å²	55	55.2 Å²	55.2	28%	0.282	28%	0.279	S	S	.	.	H	α-helix	trans	-66	-17.8	179.6	63.9	175.6	0	0	0	113.1	S713 L718 L752 W755	S713-I716 WeakPolarHBondContact O-CG1 3.41Å; I716-L718 PolarHBondContact O-N 3.43Å; I716-L752 HydrophobicContact CG2-CD1 4.27Å; I716-W755 HydrophobicContact CB-CB 4.34Å; I716-W755 HydrophobicContact CB-CG 4.16Å; I716-W755 HydrophobicContact CG2-CB 3.68Å; I716-W755 HydrophobicContact CG2-CG 3.9Å; I716-W755 PolarHBondContact O-NE1 2.95Å
717	K	75.8	Confident	77.9	Confident	155 Å²	155	54.7 Å²	54.7	67%	0.674	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-17.4	170	-67.9	179	-176.7	-179.1	0	112.3	D604 V715	D604-K717 IonicContact OD2-NZ 3.95Å; V715-K717 PolarHBondContact O-N 3.43Å
718	L	76	Confident	78.4	Confident	57 Å²	57	50.7 Å²	50.7	30%	0.298	26%	0.259	S	S	.	.	S	Bend	trans	-73.3	143.6	177.9	-63.6	171.8	0	0	0	111.4	L536 V715 I716 S720 M722 W755	L536-L718 HydrophobicContact CD2-CD1 4.37Å; V715-L718 HydrophobicContact CG1-CD1 4.31Å; V715-L718 VanDerWaalsContact O-CB 3.23Å; V715-L718 WeakPolarHBondContact O-CB 3.17Å; V715-L718 WeakPolarHBondContact O-CG 3.38Å; V715-L718 PolarHBondContact O-N 2.89Å; I716-L718 PolarHBondContact O-N 3.43Å; L718-S720 PolarHBondContact O-N 3.36Å; L718-M722 HydrophobicContact CB-SD 4.4Å; L718-M722 HydrophobicContact CD1-SD 4.07Å; L718-M722 HydrophobicContact CD2-SD 4.1Å; L718-M722 HydrophobicContact CG-SD 4.43Å; L718-W755 HydrophobicContact CB-CH2 4.42Å; L718-W755 HydrophobicContact CB-CZ2 3.9Å; L718-W755 WeakPolarHBondContact O-CZ2 3.36Å; L718-W755 PolarHBondContact O-NE1 3.36Å; L718-W755 VanDerWaalsContact O-NE1 3.14Å
719	P	75.6	Confident	78.9	Confident	80 Å²	80	48.7 Å²	48.7	52%	0.519	25%	0.249	S	C	.	.			trans	-59.7	135.8	175.5	-22.3	32.5	0	0	0	111.9	S721 M722	P719-S721 PolarHBondContact O-N 3.37Å; P719-M722 VanDerWaalsContact O-CB 3.26Å; P719-M722 WeakPolarHBondContact O-CB 3.18Å; P719-M722 PolarHBondContact O-N 3.36Å
720	S	76.3	Confident	79	Confident	53 Å²	53	48 Å²	48	37%	0.371	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-6.9	177.5	58.1	0	0	0	0	114.7	L718 H759 N760	L718-S720 PolarHBondContact O-N 3.36Å; S720-H759 PolarHBondContact O-CD2 3.17Å; S720-N760 PolarHBondContact O-N 2.96Å
721	S	75.4	Confident	79	Confident	89 Å²	89	42 Å²	42	62%	0.622	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-1	173.9	64.1	0	0	0	0	113.5	P719 R723 S761	P719-S721 PolarHBondContact O-N 3.37Å; S721-R723 PolarHBondContact O-N 3.38Å; S721-S761 PolarHBondContact O-OG 3.45Å
722	M	78.2	Confident	78.7	Confident	49 Å²	49	38.7 Å²	38.7	24%	0.241	22%	0.215	C	C	.	.	S	Bend	trans	-66.7	128.4	178.9	179.7	170.1	170.9	0	0	109.6	L718 P719 I724 H759 S761	L718-M722 HydrophobicContact CB-SD 4.4Å; L718-M722 HydrophobicContact CD1-SD 4.07Å; L718-M722 HydrophobicContact CD2-SD 4.1Å; L718-M722 HydrophobicContact CG-SD 4.43Å; P719-M722 VanDerWaalsContact O-CB 3.26Å; P719-M722 WeakPolarHBondContact O-CB 3.18Å; P719-M722 PolarHBondContact O-N 3.36Å; M722-I724 PolarHBondContact O-N 3.16Å; M722-H759 PolarHBondContact O-CE1 3.25Å; M722-H759 PolarHBondContact O-NE2 3.11Å; M722-S761 PolarHBondContact O-OG 3.24Å
723	R	81.7	Confident	77.9	Confident	102 Å²	102	39.3 Å²	39.3	39%	0.385	22%	0.218	S	C	.	.			trans	-67.2	123.8	176.9	-179.5	178.5	165.7	176.9	1.9	111.1	N492 R505 S721 D725	N492-R723 PolarHBondContact OD1-NH2 3.12Å; R505-R723 WeakPolarHBondContact CD-O 3.24Å; R505-R723 PolarHBondContact NH1-O 3.22Å; S721-R723 PolarHBondContact O-N 3.38Å; R723-D725 IonicContact CZ-OD1 2.73Å; R723-D725 IonicContact NE-OD1 3.73Å; R723-D725 PolarHBondContact NE-OD1 2.88Å; R723-D725 IonicContact NH2-OD1 3.86Å; R723-D725 PolarHBondContact NH2-OD1 3.16Å
724	I	85.3	Confident	76.9	Confident	12 Å²	12	40.9 Å²	40.9	6%	0.062	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	117.3	168	-60.3	174.2	0	0	0	106.5	L507 M722 L726 W755 L756 S761 I762 G763	L507-I724 HydrophobicContact CB-CG2 4.25Å; L507-I724 HydrophobicContact CD2-CD1 4.35Å; M722-I724 PolarHBondContact O-N 3.16Å; I724-L726 WeakPolarHBondContact CG2-O 3.41Å; I724-W755 HydrophobicContact CD1-CH2 4.01Å; I724-W755 HydrophobicContact CD1-CZ3 4.09Å; I724-L756 HydrophobicContact CD1-CD2 4.45Å; I724-S761 PolarHBondContact N-O 3.14Å; I724-I762 CarbonylContact O-C 3.5Å; I724-I762 WeakPolarHBondContact O-CA 3.48Å; I724-G763 PolarHBondContact O-N 2.78Å
725	D	85.2	Confident	75.5	Confident	6 Å²	6	42.6 Å²	42.6	3%	0.032	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	-37	-178.9	-67.8	-51.3	0	0	0	111.5	L488 A504 R505 R723 G763 G764	L488-D725 HydrophobicContact CD2-CB 4.28Å; A504-D725 WeakPolarHBondContact CA-OD2 3.39Å; R505-D725 PolarHBondContact N-OD2 3.02Å; R505-D725 WeakPolarHBondContact O-CB 3.31Å; R505-D725 PolarHBondContact O-N 3.16Å; R723-D725 IonicContact CZ-OD1 2.73Å; R723-D725 IonicContact NE-OD1 3.73Å; R723-D725 PolarHBondContact NE-OD1 2.88Å; R723-D725 IonicContact NH2-OD1 3.86Å; R723-D725 PolarHBondContact NH2-OD1 3.16Å; D725-G763 CarbonylContact O-C 3.57Å; D725-G763 WeakPolarHBondContact O-CA 3.43Å; D725-G764 PolarHBondContact O-N 3.24Å
726	L	90.2	Very high	73.7	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	133.1	-179.3	-179.5	63.9	0	0	0	111	I484 L488 R505 I506 L507 I724 I728 G764 I766 F787	I484-L726 HydrophobicContact CG2-CD2 3.53Å; L488-L726 HydrophobicContact CD1-CD2 4.2Å; L488-L726 HydrophobicContact CD2-CB 3.9Å; L488-L726 HydrophobicContact CD2-CD2 4.27Å; L488-L726 HydrophobicContact CG-CD2 4.38Å; R505-L726 PolarHBondContact O-N 3.02Å; I506-L726 CarbonylContact C-O 3.49Å; I506-L726 VanDerWaalsContact CA-O 3.29Å; I506-L726 WeakPolarHBondContact CA-O 3.12Å; I506-L726 HydrophobicContact CD1-CD2 4.39Å; I506-L726 HydrophobicContact CG1-CB 4.26Å; I506-L726 HydrophobicContact CG2-CB 4.21Å; I506-L726 HydrophobicContact CG2-CD2 4.29Å; I506-L726 HydrophobicContact CG2-CG 4.32Å; L507-L726 PolarHBondContact N-O 3.45Å; I724-L726 WeakPolarHBondContact CG2-O 3.41Å; L726-I728 HydrophobicContact CD2-CD1 3.96Å; L726-I728 HydrophobicContact CD2-CG1 4.05Å; L726-I728 HydrophobicContact CG-CD1 4.43Å; L726-I728 HydrophobicContact CG-CG1 3.97Å; L726-G764 CarbonylContact C-O 3.54Å; L726-G764 WeakPolarHBondContact CA-O 3.19Å; L726-I766 HydrophobicContact CD1-CD1 3.83Å; L726-I766 HydrophobicContact CD1-CG1 3.88Å; L726-I766 HydrophobicContact CD2-CD1 4.19Å; L726-F787 HydrophobicContact CD1-CE2 4.06Å; L726-F787 HydrophobicContact CD1-CZ 3.9Å
727	A	90.7	Very high	71.7	Confident	1 Å²	1	49 Å²	49	1%	0.008	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	130.9	166.8	0	0	0	0	0	109.9	L507 I762 G764 I765 I766	L507-A727 CarbonylContact O-C 3.47Å; L507-A727 VanDerWaalsContact O-CA 3.27Å; L507-A727 WeakPolarHBondContact O-CA 3.36Å; A727-I762 HydrophobicContact CB-CG2 4.32Å; A727-G764 PolarHBondContact N-O 2.77Å; A727-I765 HydrophobicContact CB-CG1 4.31Å; A727-I765 CarbonylContact O-C 3.47Å; A727-I765 WeakPolarHBondContact O-CA 3.36Å; A727-I766 PolarHBondContact O-N 2.83Å
728	I	90.1	Very high	69.6	Low	1 Å²	1	47.9 Å²	47.9	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	127	176.4	-50.5	-176.6	0	0	0	108.4	I484 I506 L507 I508 V509 V524 L528 L726 I766 L768	I484-I728 HydrophobicContact CD1-CD1 4.23Å; I506-I728 HydrophobicContact CG2-CD1 4.37Å; I506-I728 HydrophobicContact CG2-CG1 4.45Å; L507-I728 PolarHBondContact O-N 3.32Å; I508-I728 CarbonylContact C-O 3.59Å; I508-I728 VanDerWaalsContact CA-O 3.32Å; I508-I728 WeakPolarHBondContact CA-O 3.38Å; I508-I728 HydrophobicContact CD1-CD1 4.13Å; I508-I728 HydrophobicContact CG1-CB 4.07Å; I508-I728 HydrophobicContact CG1-CD1 4.27Å; I508-I728 HydrophobicContact CG1-CG1 4.31Å; I508-I728 HydrophobicContact CG2-CB 4.34Å; V509-I728 PolarHBondContact N-O 3.14Å; V524-I728 HydrophobicContact CG1-CD1 3.5Å; L528-I728 HydrophobicContact CD1-CD1 3.81Å; L726-I728 HydrophobicContact CD2-CD1 3.96Å; L726-I728 HydrophobicContact CD2-CG1 4.05Å; L726-I728 HydrophobicContact CG-CD1 4.43Å; L726-I728 HydrophobicContact CG-CG1 3.97Å; I728-I766 CarbonylContact C-O 3.55Å; I728-I766 VanDerWaalsContact CA-O 3.31Å; I728-I766 WeakPolarHBondContact CA-O 3.43Å; I728-I766 HydrophobicContact CG1-CB 4.32Å; I728-I766 HydrophobicContact CG2-CB 4.42Å; I728-I766 HydrophobicContact CG2-CG2 4.41Å; I728-L768 HydrophobicContact CG2-CD1 3.8Å; I728-L768 HydrophobicContact CG2-CG 4.01Å
729	I	87.3	Confident	67.4	Low	0 Å²	0	51.4 Å²	51.4	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	114.1	-176.3	-65.2	159.7	0	0	0	108.5	F753 I765 I766 H767 L768 L781	I729-F753 HydrophobicContact CD1-CE1 3.98Å; I729-F753 HydrophobicContact CG1-CE1 4.36Å; I729-F753 HydrophobicContact CG2-CE1 3.87Å; I729-F753 HydrophobicContact CG2-CZ 3.78Å; I729-I765 HydrophobicContact CD1-CG2 4.39Å; I729-I766 PolarHBondContact N-O 3.37Å; I729-H767 VanDerWaalsContact CD1-CE1 3.44Å; I729-H767 WeakPolarHBondContact CD1-CE1 3.13Å; I729-L768 PolarHBondContact O-N 2.73Å; I729-L781 HydrophobicContact CD1-CD1 3.42Å; I729-L781 VanDerWaalsContact CD1-CD1 3.42Å; I729-L781 HydrophobicContact CD1-CG 4Å
730	G	81.8	Confident	65.4	Low	0 Å²	0	57 Å²	57	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	121.6	158.1	0	0	0	0	0	108.3	V509 N511	V509-G730 PolarHBondContact O-N 2.83Å; N511-G730 WeakPolarHBondContact CB-O 3.48Å; N511-G730 PolarHBondContact ND2-O 3.36Å
731	H	73.5	Confident	63.3	Low	5 Å²	5	60.2 Å²	60.2	2%	0.023	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-91.2	135.5	174.3	-77.9	-83.6	0	0	0	110.5	H515 H767 L768 T769 I779	H515-H731 VanDerWaalsContact CE1-C 3.46Å; H515-H731 PolarHBondContact CE1-O 3.13Å; H515-H731 PolarHBondContact ND1-O 3.45Å; H731-H767 AromaticContact CD2-ND1 3.69Å; H731-H767 AromaticContact CE1-ND1 3.65Å; H731-H767 AromaticContact NE2-CE1 3.67Å; H731-H767 AromaticContact NE2-CG 3.39Å; H731-H767 AromaticContact NE2-ND1 2.8Å; H731-H767 PolarHBondContact NE2-ND1 3.44Å; H731-L768 PolarHBondContact N-O 2.75Å; H731-T769 HydrophobicContact CB-CG2 4.17Å; H731-T769 WeakPolarHBondContact CD2-CG2 3.42Å; H731-I779 WeakPolarHBondContact CE1-CG2 3.43Å; H731-I779 WeakPolarHBondContact ND1-CG2 3.21Å
732	P	64.9	Low	61.2	Low	41 Å²	41	64.1 Å²	64.1	27%	0.266	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-66.7	154.8	171.7	30	-33.8	0	0	0	110.8	D734	P732-D734 PolarHBondContact O-N 3Å; P732-D734 VanDerWaalsContact O-N 3.11Å
733	D	54.8	Low	59.3	Low	26 Å²	26	64.9 Å²	64.9	14%	0.139	36%	0.355	C	S	.	.			trans	-74.6	89.8	169.7	-81.7	-52.6	0	0	0	109.5	H515 S735 P770 I797	H515-D733 WeakPolarHBondContact CB-OD2 3.15Å; D733-S735 PolarHBondContact O-N 2.9Å; D733-P770 WeakPolarHBondContact OD1-CB 2.73Å; D733-P770 WeakPolarHBondContact OD1-CG 3.35Å; D733-I797 WeakPolarHBondContact OD1-CD1 3.44Å
734	D	49.5	Very low	57.4	Low	77 Å²	77	64.5 Å²	64.5	41%	0.412	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	39.7	177.8	-87.8	-17.5	0	0	0	114	P732 T737	P732-D734 PolarHBondContact O-N 3Å; P732-D734 VanDerWaalsContact O-N 3.11Å; D734-T737 PolarHBondContact OD1-OG1 3.16Å
735	S	41.3	Very low	55.5	Low	85 Å²	85	67.5 Å²	67.5	59%	0.594	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-11.4	172.1	64.6	0	0	0	0	113.9	D733	D733-S735 PolarHBondContact O-N 2.9Å
736	T	36.9	Very low	53.8	Low	101 Å²	101	69.6 Å²	69.6	62%	0.62	41%	0.406	S	S	*	.	S	Bend	trans	-130.5	-3.9	-174.1	53.3	0	0	0	0	115.8
737	T	35.1	Very low	52.1	Low	90 Å²	90	72.3 Å²	72.3	55%	0.552	43%	0.425	S	S	*	.			trans	-104.1	17.9	-173.2	44.7	0	0	0	0	114.6	D734 N739	D734-T737 PolarHBondContact OD1-OG1 3.16Å; T737-N739 PolarHBondContact O-N 2.8Å
738	V	32.4	Very low	50.6	Low	130 Å²	130	75.1 Å²	75.1	79%	0.788	44%	0.439	S	S	*	.			trans	-68	0.1	169.3	-172.3	0	0	0	0	112.1	K740	V738-K740 PolarHBondContact O-N 3.19Å; V738-K740 VanDerWaalsContact O-N 3.11Å
739	N	30.5	Very low	49.4	Very low	132 Å²	132	76.4 Å²	76.4	71%	0.706	45%	0.447	S	S	*	.			trans	-77.8	101.3	164.3	-76.5	-4.1	0	0	0	110.5	T737 D741	T737-N739 PolarHBondContact O-N 2.8Å; N739-D741 PolarHBondContact O-N 2.83Å
740	K	32.5	Very low	48.5	Very low	197 Å²	197	80.8 Å²	80.8	86%	0.857	47%	0.471	S	S	*	.			trans	-57.3	42.1	175.3	-134.8	175.4	-170.6	176.6	0	114.1	V738	V738-K740 PolarHBondContact O-N 3.19Å; V738-K740 VanDerWaalsContact O-N 3.11Å
741	D	32.4	Very low	48.3	Very low	121 Å²	121	85 Å²	85	65%	0.647	49%	0.493	S	S	*	.			trans	-103	123.5	-175.6	-62.2	-25.7	0	0	0	110.2	N739 S743	N739-D741 PolarHBondContact O-N 2.83Å; D741-S743 PolarHBondContact O-N 2.81Å
742	N	31.1	Very low	48.7	Very low	171 Å²	171	84.8 Å²	84.8	91%	0.914	49%	0.492	S	S	*	.			trans	-59.6	54.2	-172.1	-67.5	-43.7	0	0	0	115	S744	N742-S744 PolarHBondContact O-N 2.78Å
743	S	39.2	Very low	49.4	Very low	64 Å²	64	83.9 Å²	83.9	45%	0.448	48%	0.484	S	S	.	.			trans	-75	124.1	171.5	58.6	0	0	0	0	109.7	D741 S745 S746	D741-S743 PolarHBondContact O-N 2.81Å; S743-S745 PolarHBondContact O-N 2.77Å; S743-S746 PolarHBondContact O-N 3.2Å; S743-S746 PolarHBondContact O-OG 2.91Å
744	S	41.1	Very low	50.7	Low	94 Å²	94	86.8 Å²	86.8	66%	0.657	50%	0.499	S	S	*	.	H	α-helix	trans	-56.1	-14.7	-179.4	55.4	0	0	0	0	114.6	N742 S747 N748	N742-S744 PolarHBondContact O-N 2.78Å; S744-S747 PolarHBondContact O-OG 2.7Å; S744-N748 PolarHBondContact O-ND2 2.8Å
745	S	44.5	Very low	52.3	Low	76 Å²	76	84.8 Å²	84.8	53%	0.531	49%	0.486	S	S	.	.	H	α-helix	trans	-73	-31.5	173.8	58.7	0	0	0	0	112.8	S743	S743-S745 PolarHBondContact O-N 2.77Å
746	S	51	Low	54.4	Low	50 Å²	50	80.7 Å²	80.7	35%	0.35	46%	0.458	S	S	.	.	H	α-helix	trans	-73.5	-30	179	71.1	0	0	0	0	113.1	S743 T749 N750	S743-S746 PolarHBondContact O-N 3.2Å; S743-S746 PolarHBondContact O-OG 2.91Å; S746-T749 PolarHBondContact O-OG1 2.85Å; S746-T749 VanDerWaalsContact O-OG1 3.06Å; S746-N750 WeakPolarHBondContact O-CB 3.34Å; S746-N750 VanDerWaalsContact O-CG 3.25Å; S746-N750 PolarHBondContact O-N 3.13Å; S746-N750 PolarHBondContact O-ND2 2.75Å
747	S	54.8	Low	56.7	Low	57 Å²	57	81.8 Å²	81.8	40%	0.399	45%	0.45	S	S	.	.	H	α-helix	trans	-69.7	-40.7	179.8	62.2	0	0	0	0	111.5	S744 N750 L751	S744-S747 PolarHBondContact O-OG 2.7Å; S747-N750 PolarHBondContact O-N 2.83Å; S747-L751 WeakPolarHBondContact O-CG 3.28Å; S747-L751 PolarHBondContact O-N 2.97Å
748	N	57.3	Low	59	Low	59 Å²	59	83 Å²	83	32%	0.316	45%	0.453	S	S	.	.	H	α-helix	trans	-69	-38.5	-178.4	-76.6	-43.7	0	0	0	113.3	P712 S744 L751 L752	P712-N748 HydrophobicContact CB-CB 4.36Å; P712-N748 HydrophobicContact CG-CB 4.15Å; S744-N748 PolarHBondContact O-ND2 2.8Å; N748-L751 PolarHBondContact O-N 3.21Å; N748-L752 PolarHBondContact O-N 3.2Å; N748-L752 VanDerWaalsContact O-N 3.12Å
749	T	65.2	Low	61.6	Low	29 Å²	29	76.9 Å²	76.9	18%	0.178	42%	0.416	C	S	.	.	H	α-helix	trans	-67.5	-43	174.7	53.5	0	0	0	0	110.7	S746 L751 L752 F753	S746-T749 PolarHBondContact O-OG1 2.85Å; S746-T749 VanDerWaalsContact O-OG1 3.06Å; T749-L751 VanDerWaalsContact C-N 3.33Å; T749-L751 PolarHBondContact O-N 3.46Å; T749-L752 WeakPolarHBondContact O-CB 3.32Å; T749-L752 PolarHBondContact O-N 2.72Å; T749-L752 VanDerWaalsContact O-N 3.16Å; T749-F753 WeakPolarHBondContact O-CD2 3.49Å; T749-F753 PolarHBondContact O-N 3.45Å
750	N	69.4	Low	64	Low	92 Å²	92	76.2 Å²	76.2	49%	0.492	41%	0.413	S	S	.	.	H	α-helix	trans	-58.7	-41.2	174.9	-77.9	-38.2	0	0	0	112.6	S746 S747 F753 N754	S746-N750 WeakPolarHBondContact O-CB 3.34Å; S746-N750 VanDerWaalsContact O-CG 3.25Å; S746-N750 PolarHBondContact O-N 3.13Å; S746-N750 PolarHBondContact O-ND2 2.75Å; S747-N750 PolarHBondContact O-N 2.83Å; N750-F753 PolarHBondContact O-N 3.43Å; N750-N754 WeakPolarHBondContact O-CB 3.34Å; N750-N754 PolarHBondContact O-N 3.44Å; N750-N754 PolarHBondContact O-ND2 3.37Å
751	L	76.7	Confident	66.3	Low	88 Å²	88	67.9 Å²	67.9	46%	0.461	38%	0.379	S	S	.	.	H	α-helix	trans	-62.6	-43.3	174.4	-73	171.3	0	0	0	112.3	S747 N748 T749 N754 W755	S747-L751 WeakPolarHBondContact O-CG 3.28Å; S747-L751 PolarHBondContact O-N 2.97Å; N748-L751 PolarHBondContact O-N 3.21Å; T749-L751 VanDerWaalsContact C-N 3.33Å; T749-L751 PolarHBondContact O-N 3.46Å; L751-N754 PolarHBondContact O-N 2.88Å; L751-W755 WeakPolarHBondContact O-CB 3.31Å; L751-W755 PolarHBondContact O-N 3.25Å
752	L	81.4	Confident	68.9	Low	1 Å²	1	62.1 Å²	62.1	1%	0.005	35%	0.348	C	S	.	.	H	α-helix	trans	-62.6	-44.8	176.3	179.7	66.5	0	0	0	111.8	V509 V538 P712 V715 I716 N748 T749 W755 L756	V509-L752 HydrophobicContact CG1-CD2 3.98Å; V509-L752 HydrophobicContact CG2-CD2 3.9Å; V538-L752 HydrophobicContact CB-CD2 4.42Å; V538-L752 HydrophobicContact CG1-CD2 4.03Å; V538-L752 HydrophobicContact CG2-CD2 4.33Å; P712-L752 HydrophobicContact CB-CB 4.15Å; P712-L752 HydrophobicContact CB-CD2 4.26Å; V715-L752 HydrophobicContact CB-CD1 3.82Å; V715-L752 HydrophobicContact CG1-CD1 3.76Å; I716-L752 HydrophobicContact CG2-CD1 4.27Å; N748-L752 PolarHBondContact O-N 3.2Å; N748-L752 VanDerWaalsContact O-N 3.12Å; T749-L752 WeakPolarHBondContact O-CB 3.32Å; T749-L752 PolarHBondContact O-N 2.72Å; T749-L752 VanDerWaalsContact O-N 3.16Å; L752-W755 HydrophobicContact CD1-CE3 4.46Å; L752-W755 PolarHBondContact O-N 3.09Å; L752-L756 HydrophobicContact CG-CD1 4.31Å; L752-L756 WeakPolarHBondContact O-CB 3.38Å; L752-L756 WeakPolarHBondContact O-CG 3.49Å; L752-L756 PolarHBondContact O-N 3.35Å
753	F	81.4	Confident	71.3	Confident	22 Å²	22	54.3 Å²	54.3	10%	0.096	31%	0.308	C	S	.	.	H	α-helix	trans	-64.9	-39	177.2	-84.4	-71.7	0	0	0	112.4	N511 I729 T749 N750 L756 R757 I779	N511-F753 VanDerWaalsContact ND2-CE2 3.28Å; N511-F753 WeakPolarHBondContact ND2-CE2 3.23Å; N511-F753 WeakPolarHBondContact ND2-CZ 3.38Å; I729-F753 HydrophobicContact CD1-CE1 3.98Å; I729-F753 HydrophobicContact CG1-CE1 4.36Å; I729-F753 HydrophobicContact CG2-CE1 3.87Å; I729-F753 HydrophobicContact CG2-CZ 3.78Å; T749-F753 WeakPolarHBondContact O-CD2 3.49Å; T749-F753 PolarHBondContact O-N 3.45Å; N750-F753 PolarHBondContact O-N 3.43Å; F753-L756 PolarHBondContact O-N 3.2Å; F753-R757 VanDerWaalsContact O-CB 3.29Å; F753-R757 WeakPolarHBondContact O-CB 3.47Å; F753-R757 PolarHBondContact O-N 3.01Å; F753-I779 HydrophobicContact CD1-CG2 4.18Å; F753-I779 HydrophobicContact CE1-CG2 3.64Å; F753-I779 HydrophobicContact CE2-CG2 4.23Å; F753-I779 HydrophobicContact CZ-CG2 3.64Å
754	N	80.9	Confident	73.5	Confident	87 Å²	87	51.2 Å²	51.2	47%	0.465	29%	0.287	S	S	.	.	H	α-helix	trans	-63.4	-43.2	173	-75.7	-23.7	0	0	0	111.8	N750 L751 R757 N758	N750-N754 WeakPolarHBondContact O-CB 3.34Å; N750-N754 PolarHBondContact O-N 3.44Å; N750-N754 PolarHBondContact O-ND2 3.37Å; L751-N754 PolarHBondContact O-N 2.88Å; N754-R757 PolarHBondContact O-N 2.72Å; N754-N758 PolarHBondContact O-N 2.98Å; N754-N758 VanDerWaalsContact O-N 3.1Å; N754-N758 PolarHBondContact O-ND2 3.23Å
755	W	83.9	Confident	75.7	Confident	34 Å²	34	46.8 Å²	46.8	13%	0.129	26%	0.255	C	S	.	.	H	α-helix	trans	-60.6	-46.6	173.7	179.4	92.1	0	0	0	111.2	L507 V715 I716 L718 I724 L751 L752 R757 N758 H759	L507-W755 HydrophobicContact CD2-CZ3 4.49Å; V715-W755 HydrophobicContact CG1-CE3 4.47Å; V715-W755 HydrophobicContact CG1-CH2 4.31Å; V715-W755 HydrophobicContact CG1-CZ3 4.04Å; I716-W755 HydrophobicContact CB-CB 4.34Å; I716-W755 HydrophobicContact CB-CG 4.16Å; I716-W755 HydrophobicContact CG2-CB 3.68Å; I716-W755 HydrophobicContact CG2-CG 3.9Å; I716-W755 PolarHBondContact O-NE1 2.95Å; L718-W755 HydrophobicContact CB-CH2 4.42Å; L718-W755 HydrophobicContact CB-CZ2 3.9Å; L718-W755 WeakPolarHBondContact O-CZ2 3.36Å; L718-W755 PolarHBondContact O-NE1 3.36Å; L718-W755 VanDerWaalsContact O-NE1 3.14Å; I724-W755 HydrophobicContact CD1-CH2 4.01Å; I724-W755 HydrophobicContact CD1-CZ3 4.09Å; L751-W755 WeakPolarHBondContact O-CB 3.31Å; L751-W755 PolarHBondContact O-N 3.25Å; L752-W755 HydrophobicContact CD1-CE3 4.46Å; L752-W755 PolarHBondContact O-N 3.09Å; W755-R757 VanDerWaalsContact C-N 3.34Å; W755-R757 PolarHBondContact O-N 3.43Å; W755-N758 CarbonylContact O-C 3.52Å; W755-N758 PolarHBondContact O-N 2.97Å; W755-H759 AromaticContact CH2-CD2 3.34Å; W755-H759 WeakPolarHBondContact CH2-CD2 3.33Å; W755-H759 AromaticContact CH2-NE2 3.69Å; W755-H759 AromaticContact CZ2-CD2 3.47Å; W755-H759 VanDerWaalsContact CZ2-CD2 3.47Å; W755-H759 WeakPolarHBondContact CZ2-CD2 3.18Å; W755-H759 AromaticContact CZ2-NE2 3.99Å; W755-H759 AromaticContact CZ3-CD2 3.84Å; W755-H759 WeakPolarHBondContact O-CB 3.21Å; W755-H759 PolarHBondContact O-N 3.16Å
756	L	85.7	Confident	77.8	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-61.8	-39.9	177.1	-77.5	173.2	0	0	0	112.6	L507 V509 I724 L752 F753 N758 H759 I762 L781 N783	L507-L756 HydrophobicContact CD2-CD1 4.24Å; L507-L756 HydrophobicContact CD2-CD2 3.52Å; L507-L756 HydrophobicContact CD2-CG 4.36Å; V509-L756 HydrophobicContact CG2-CD1 4.42Å; I724-L756 HydrophobicContact CD1-CD2 4.45Å; L752-L756 HydrophobicContact CG-CD1 4.31Å; L752-L756 WeakPolarHBondContact O-CB 3.38Å; L752-L756 WeakPolarHBondContact O-CG 3.49Å; L752-L756 PolarHBondContact O-N 3.35Å; F753-L756 PolarHBondContact O-N 3.2Å; L756-N758 VanDerWaalsContact C-N 3.29Å; L756-N758 PolarHBondContact O-N 2.56Å; L756-H759 VanDerWaalsContact O-CB 3.3Å; L756-H759 WeakPolarHBondContact O-CB 3.31Å; L756-H759 PolarHBondContact O-N 3.46Å; L756-I762 HydrophobicContact CD2-CD1 4.33Å; L756-L781 HydrophobicContact CB-CD1 3.67Å; L756-L781 HydrophobicContact CB-CD2 4.24Å; L756-L781 HydrophobicContact CD1-CD1 4.05Å; L756-L781 HydrophobicContact CG-CD1 4.38Å; L756-N783 PolarHBondContact O-ND2 3.37Å
757	R	84.8	Confident	79.3	Confident	123 Å²	123	40.8 Å²	40.8	46%	0.464	21%	0.214	S	C	.	.	H	α-helix	trans	-64.8	-33.4	178.1	-170.7	171.1	-177.6	160.5	-3.3	112.5	F753 N754 W755 N778 L781 N783	F753-R757 VanDerWaalsContact O-CB 3.29Å; F753-R757 WeakPolarHBondContact O-CB 3.47Å; F753-R757 PolarHBondContact O-N 3.01Å; N754-R757 PolarHBondContact O-N 2.72Å; W755-R757 VanDerWaalsContact C-N 3.34Å; W755-R757 PolarHBondContact O-N 3.43Å; R757-N778 PolarHBondContact NH1-O 3.4Å; R757-L781 HydrophobicContact CB-CD2 3.9Å; R757-L781 HydrophobicContact CG-CD2 4.48Å; R757-N783 PolarHBondContact O-ND2 3.25Å
758	N	83.8	Confident	80.6	Confident	116 Å²	116	38.1 Å²	38.1	62%	0.62	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.1	0.9	178.3	-66.3	-30	0	0	0	113.6	N754 W755 L756	N754-N758 PolarHBondContact O-N 2.98Å; N754-N758 VanDerWaalsContact O-N 3.1Å; N754-N758 PolarHBondContact O-ND2 3.23Å; W755-N758 CarbonylContact O-C 3.52Å; W755-N758 PolarHBondContact O-N 2.97Å; L756-N758 VanDerWaalsContact C-N 3.29Å; L756-N758 PolarHBondContact O-N 2.56Å
759	H	85.8	Confident	81.2	Confident	2 Å²	2	35.3 Å²	35.3	1%	0.009	18%	0.18	C	C	.	.			trans	-79.5	132.6	-177.3	-169.8	-83.4	0	0	0	111.3	S720 M722 W755 L756 S761 I762 N783	S720-H759 PolarHBondContact O-CD2 3.17Å; M722-H759 PolarHBondContact O-CE1 3.25Å; M722-H759 PolarHBondContact O-NE2 3.11Å; W755-H759 AromaticContact CH2-CD2 3.34Å; W755-H759 WeakPolarHBondContact CH2-CD2 3.33Å; W755-H759 AromaticContact CH2-NE2 3.69Å; W755-H759 AromaticContact CZ2-CD2 3.47Å; W755-H759 VanDerWaalsContact CZ2-CD2 3.47Å; W755-H759 WeakPolarHBondContact CZ2-CD2 3.18Å; W755-H759 AromaticContact CZ2-NE2 3.99Å; W755-H759 AromaticContact CZ3-CD2 3.84Å; W755-H759 WeakPolarHBondContact O-CB 3.21Å; W755-H759 PolarHBondContact O-N 3.16Å; L756-H759 VanDerWaalsContact O-CB 3.3Å; L756-H759 WeakPolarHBondContact O-CB 3.31Å; L756-H759 PolarHBondContact O-N 3.46Å; H759-S761 PolarHBondContact CE1-OG 2.8Å; H759-S761 PolarHBondContact ND1-N 2.61Å; H759-I762 HydrophobicContact CB-CD1 4.16Å; H759-I762 HydrophobicContact CB-CG1 4.31Å; H759-I762 WeakPolarHBondContact ND1-CG1 3.49Å; H759-N783 PolarHBondContact O-ND2 2.93Å
760	N	80.9	Confident	81.1	Confident	118 Å²	118	34.4 Å²	34.4	63%	0.631	17%	0.174	S	C	*	.	S	Bend	trans	-90	-19.5	-166.6	-68.3	-35.2	0	0	0	114.2	S720 Q785	S720-N760 PolarHBondContact O-N 2.96Å; N760-Q785 PolarHBondContact O-NE2 3.35Å
761	S	82.1	Confident	80.5	Confident	21 Å²	21	31.1 Å²	31.1	15%	0.147	16%	0.159	C	C	.	.			trans	-126.9	60.9	-167.6	44.8	0	0	0	0	112.9	S721 M722 I724 H759	S721-S761 PolarHBondContact O-OG 3.45Å; M722-S761 PolarHBondContact O-OG 3.24Å; I724-S761 PolarHBondContact N-O 3.14Å; H759-S761 PolarHBondContact CE1-OG 2.8Å; H759-S761 PolarHBondContact ND1-N 2.61Å
762	I	85.4	Confident	79.4	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	122.7	171.6	-51.5	-176.2	0	0	0	109.8	I724 A727 L756 H759 G764 I765 A784 Q785	I724-I762 CarbonylContact O-C 3.5Å; I724-I762 WeakPolarHBondContact O-CA 3.48Å; A727-I762 HydrophobicContact CB-CG2 4.32Å; L756-I762 HydrophobicContact CD2-CD1 4.33Å; H759-I762 HydrophobicContact CB-CD1 4.16Å; H759-I762 HydrophobicContact CB-CG1 4.31Å; H759-I762 WeakPolarHBondContact ND1-CG1 3.49Å; I762-G764 WeakPolarHBondContact CG2-O 3.36Å; I762-I765 HydrophobicContact CD1-CD1 4.29Å; I762-I765 HydrophobicContact CG2-CD1 4.09Å; I762-I765 HydrophobicContact CG2-CG1 3.61Å; I762-A784 WeakPolarHBondContact O-CA 3.35Å; I762-Q785 WeakPolarHBondContact O-CG 3.05Å; I762-Q785 PolarHBondContact O-N 3.16Å
763	G	82.8	Confident	77.9	Confident	7 Å²	7	33.5 Å²	33.5	7%	0.072	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	-58.9	179.6	0	0	0	0	0	112.7	I724 D725 Q785 H786	I724-G763 PolarHBondContact O-N 2.78Å; D725-G763 CarbonylContact O-C 3.57Å; D725-G763 WeakPolarHBondContact O-CA 3.43Å; G763-Q785 PolarHBondContact O-N 3.11Å; G763-H786 VanDerWaalsContact O-CB 3.29Å; G763-H786 WeakPolarHBondContact O-CB 3.39Å; G763-H786 PolarHBondContact O-CD2 2.84Å; G763-H786 PolarHBondContact O-N 3.15Å
764	G	85.2	Confident	76.4	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	156.5	176.7	0	0	0	0	0	112.4	D725 L726 A727 I762 F787	D725-G764 PolarHBondContact O-N 3.24Å; L726-G764 CarbonylContact C-O 3.54Å; L726-G764 WeakPolarHBondContact CA-O 3.19Å; A727-G764 PolarHBondContact N-O 2.77Å; I762-G764 WeakPolarHBondContact CG2-O 3.36Å; G764-F787 CarbonylContact C-O 3.52Å; G764-F787 WeakPolarHBondContact CA-O 3.43Å
765	I	87.7	Confident	75.1	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	135.7	175.4	-62.1	173.6	0	0	0	109.2	A727 I729 I762 H767 L781 A784 F787 V788 W789	A727-I765 HydrophobicContact CB-CG1 4.31Å; A727-I765 CarbonylContact O-C 3.47Å; A727-I765 WeakPolarHBondContact O-CA 3.36Å; I729-I765 HydrophobicContact CD1-CG2 4.39Å; I762-I765 HydrophobicContact CD1-CD1 4.29Å; I762-I765 HydrophobicContact CG2-CD1 4.09Å; I762-I765 HydrophobicContact CG2-CG1 3.61Å; I765-H767 WeakPolarHBondContact CG2-NE2 3.31Å; I765-L781 HydrophobicContact CD1-CB 3.57Å; I765-L781 HydrophobicContact CD1-CD1 4.29Å; I765-L781 HydrophobicContact CG2-CB 4.32Å; I765-A784 HydrophobicContact CB-CB 4.26Å; I765-A784 HydrophobicContact CD1-CB 3.82Å; I765-A784 HydrophobicContact CG1-CB 3.73Å; I765-F787 PolarHBondContact N-O 2.8Å; I765-V788 HydrophobicContact CB-CG1 4.46Å; I765-V788 HydrophobicContact CB-CG2 4.43Å; I765-V788 CarbonylContact O-C 3.27Å; I765-V788 WeakPolarHBondContact O-CA 2.82Å; I765-W789 PolarHBondContact O-N 2.88Å
766	I	86.7	Confident	73.8	Confident	1 Å²	1	36 Å²	36	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	122.4	175.1	-63.2	175.8	0	0	0	108.6	I484 L726 A727 I728 I729 L768 F787 W789 I791	I484-I766 HydrophobicContact CD1-CD1 3.74Å; I484-I766 HydrophobicContact CG1-CD1 3.57Å; L726-I766 HydrophobicContact CD1-CD1 3.83Å; L726-I766 HydrophobicContact CD1-CG1 3.88Å; L726-I766 HydrophobicContact CD2-CD1 4.19Å; A727-I766 PolarHBondContact O-N 2.83Å; I728-I766 CarbonylContact C-O 3.55Å; I728-I766 VanDerWaalsContact CA-O 3.31Å; I728-I766 WeakPolarHBondContact CA-O 3.43Å; I728-I766 HydrophobicContact CG1-CB 4.32Å; I728-I766 HydrophobicContact CG2-CB 4.42Å; I728-I766 HydrophobicContact CG2-CG2 4.41Å; I729-I766 PolarHBondContact N-O 3.37Å; I766-L768 HydrophobicContact CG2-CD2 4.02Å; I766-L768 HydrophobicContact CG2-CG 4.47Å; I766-F787 HydrophobicContact CD1-CE2 4.37Å; I766-F787 HydrophobicContact CG1-CE2 3.99Å; I766-W789 CarbonylContact C-O 3.5Å; I766-W789 WeakPolarHBondContact CA-O 2.8Å; I766-W789 HydrophobicContact CD1-CE3 3.82Å; I766-W789 HydrophobicContact CD1-CZ3 4.25Å; I766-W789 HydrophobicContact CG1-CB 4.21Å; I766-W789 HydrophobicContact CG1-CD2 4.44Å; I766-W789 HydrophobicContact CG1-CE3 3.94Å; I766-I791 HydrophobicContact CG2-CD1 3.39Å; I766-I791 HydrophobicContact CG2-CG1 4.24Å
767	H	83.2	Confident	72.4	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	118.5	173.3	-67.4	-73.6	0	0	0	109.1	I729 H731 I765 T769 L780 L781 W789 V790 I791	I729-H767 VanDerWaalsContact CD1-CE1 3.44Å; I729-H767 WeakPolarHBondContact CD1-CE1 3.13Å; H731-H767 AromaticContact CD2-ND1 3.69Å; H731-H767 AromaticContact CE1-ND1 3.65Å; H731-H767 AromaticContact NE2-CE1 3.67Å; H731-H767 AromaticContact NE2-CG 3.39Å; H731-H767 AromaticContact NE2-ND1 2.8Å; H731-H767 PolarHBondContact NE2-ND1 3.44Å; I765-H767 WeakPolarHBondContact CG2-NE2 3.31Å; H767-T769 HydrophobicContact CB-CG2 4.13Å; H767-L780 VanDerWaalsContact CD2-CD1 3.49Å; H767-L780 WeakPolarHBondContact CD2-CD1 3.45Å; H767-L781 PolarHBondContact CE1-N 2.8Å; H767-L781 PolarHBondContact NE2-N 2.82Å; H767-W789 PolarHBondContact N-O 3.44Å; H767-V790 HydrophobicContact CB-CG2 4.37Å; H767-I791 PolarHBondContact O-N 2.86Å
768	L	82.8	Confident	71.1	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	100.1	173.1	-58.7	179.1	0	0	0	107.8	L480 L520 I728 I729 H731 I766 I791 L793	L480-L768 HydrophobicContact CD2-CD2 4.24Å; L520-L768 HydrophobicContact CB-CD1 4.45Å; L520-L768 HydrophobicContact CD2-CD1 4.26Å; L520-L768 HydrophobicContact CD2-CD2 4.26Å; L520-L768 HydrophobicContact CG-CD1 4.37Å; I728-L768 HydrophobicContact CG2-CD1 3.8Å; I728-L768 HydrophobicContact CG2-CG 4.01Å; I729-L768 PolarHBondContact O-N 2.73Å; H731-L768 PolarHBondContact N-O 2.75Å; I766-L768 HydrophobicContact CG2-CD2 4.02Å; I766-L768 HydrophobicContact CG2-CG 4.47Å; L768-I791 HydrophobicContact CD2-CB 4.08Å; L768-I791 HydrophobicContact CD2-CD1 3.79Å; L768-I791 HydrophobicContact CD2-CG2 4.3Å; L768-L793 HydrophobicContact CB-CD1 4.39Å
769	T	69.8	Low	70.2	Confident	1 Å²	1	30.5 Å²	30.5	1%	0.006	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	134	-171.1	53.4	0	0	0	0	110	H731 H767 V775 V790 I791 E792 L793	H731-T769 HydrophobicContact CB-CG2 4.17Å; H731-T769 WeakPolarHBondContact CD2-CG2 3.42Å; H767-T769 HydrophobicContact CB-CG2 4.13Å; T769-V775 HydrophobicContact CG2-CG2 3.4Å; T769-V790 HydrophobicContact CG2-CG1 4.08Å; T769-I791 PolarHBondContact N-O 3.21Å; T769-I791 PolarHBondContact OG1-O 2.8Å; T769-I791 VanDerWaalsContact OG1-O 3.08Å; T769-E792 CarbonylContact O-C 3.57Å; T769-E792 VanDerWaalsContact O-CA 3.28Å; T769-E792 WeakPolarHBondContact O-CA 3.35Å; T769-L793 PolarHBondContact O-N 2.8Å
770	P	63.5	Low	69.6	Low	9 Å²	9	30.8 Å²	30.8	6%	0.058	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	143.5	169.2	19.6	-23.1	0	0	0	110.2	D733 Q772 S773 I797	D733-P770 WeakPolarHBondContact OD1-CB 2.73Å; D733-P770 WeakPolarHBondContact OD1-CG 3.35Å; P770-Q772 PolarHBondContact O-N 3.25Å; P770-S773 WeakPolarHBondContact CD-OG 3.41Å; P770-S773 PolarHBondContact O-N 2.83Å; P770-S773 PolarHBondContact O-OG 2.71Å; P770-I797 HydrophobicContact CB-CD1 4.26Å; P770-I797 HydrophobicContact CB-CG1 4.21Å
771	S	55.7	Low	69.4	Low	23 Å²	23	25.3 Å²	25.3	16%	0.161	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-4.2	-169.5	172.1	0	0	0	0	116.5	R443 L793	R443-S771 VanDerWaalsContact CZ-OG 3.29Å; R443-S771 PolarHBondContact NH1-OG 3.1Å; R443-S771 VanDerWaalsContact NH1-OG 3.17Å; R443-S771 VanDerWaalsContact NH2-CB 3.25Å; R443-S771 PolarHBondContact NH2-OG 3.36Å; S771-L793 WeakPolarHBondContact CB-O 3.42Å; S771-L793 PolarHBondContact N-O 3.47Å
772	Q	53.7	Low	69.1	Low	114 Å²	114	28.3 Å²	28.3	53%	0.533	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.1	1.8	174.6	-70.4	-168.1	-11.1	0	0	114.1	L440 P770 I774 I797	L440-Q772 HydrophobicContact CB-CG 4.28Å; L440-Q772 HydrophobicContact CD2-CB 4.45Å; L440-Q772 HydrophobicContact CD2-CG 3.78Å; L440-Q772 HydrophobicContact CG-CG 4.42Å; P770-Q772 PolarHBondContact O-N 3.25Å; Q772-I774 PolarHBondContact O-N 3.26Å; Q772-I797 HydrophobicContact CB-CD1 4.22Å
773	S	51	Low	68.9	Low	26 Å²	26	30.4 Å²	30.4	18%	0.182	16%	0.159	C	C	.	.			trans	-69.9	121	175.4	57.1	0	0	0	0	109.9	P770 V775	P770-S773 WeakPolarHBondContact CD-OG 3.41Å; P770-S773 PolarHBondContact O-N 2.83Å; P770-S773 PolarHBondContact O-OG 2.71Å; S773-V775 VanDerWaalsContact C-N 3.3Å; S773-V775 PolarHBondContact O-N 2.79Å
774	I	49.2	Very low	68.7	Low	123 Å²	123	30.4 Å²	30.4	63%	0.631	16%	0.159	S	C	*	.			trans	-67	102.5	156.8	-61.6	171.2	0	0	0	103.9	Q772 D776	Q772-I774 PolarHBondContact O-N 3.26Å; I774-D776 VanDerWaalsContact C-N 3.34Å; I774-D776 PolarHBondContact O-N 2.84Å
775	V	54	Low	68.4	Low	14 Å²	14	36.2 Å²	36.2	9%	0.085	19%	0.186	C	C	.	.			trans	-63.6	104.4	171.4	-171.1	0	0	0	0	105.9	I416 T769 S773 S777 L780 V790	I416-V775 HydrophobicContact CD1-CB 4.09Å; I416-V775 WeakPolarHBondContact CD1-O 3.41Å; T769-V775 HydrophobicContact CG2-CG2 3.4Å; S773-V775 VanDerWaalsContact C-N 3.3Å; S773-V775 PolarHBondContact O-N 2.79Å; V775-S777 PolarHBondContact O-N 3.38Å; V775-L780 HydrophobicContact CG1-CB 4.02Å; V775-L780 HydrophobicContact CG1-CD1 4.08Å; V775-V790 HydrophobicContact CG2-CG1 4.47Å
776	D	56.9	Low	67.9	Low	57 Å²	57	41 Å²	41	31%	0.305	21%	0.208	S	C	.	.			trans	-58	132.5	177.4	-172.8	4.5	0	0	0	107.7	I774 N778 I779 L780	I774-D776 VanDerWaalsContact C-N 3.34Å; I774-D776 PolarHBondContact O-N 2.84Å; D776-N778 PolarHBondContact O-N 3.09Å; D776-N778 PolarHBondContact OD1-N 2.99Å; D776-N778 PolarHBondContact OD1-ND2 3.17Å; D776-N778 PolarHBondContact OD2-ND2 3.5Å; D776-I779 HydrophobicContact CB-CD1 4.19Å; D776-I779 HydrophobicContact CB-CG1 4.17Å; D776-I779 PolarHBondContact O-N 3.04Å; D776-L780 PolarHBondContact O-N 3.46Å; D776-L780 VanDerWaalsContact O-N 3.13Å
777	S	56.3	Low	67.6	Low	25 Å²	25	41.8 Å²	41.8	18%	0.175	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-20.6	176.1	57	0	0	0	0	112.8	V775	V775-S777 PolarHBondContact O-N 3.38Å
778	N	57.1	Low	67.5	Low	70 Å²	70	41.8 Å²	41.8	37%	0.374	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-31.3	174.6	-64.1	-38.9	0	0	0	113.8	R757 D776	R757-N778 PolarHBondContact NH1-O 3.4Å; D776-N778 PolarHBondContact O-N 3.09Å; D776-N778 PolarHBondContact OD1-N 2.99Å; D776-N778 PolarHBondContact OD1-ND2 3.17Å; D776-N778 PolarHBondContact OD2-ND2 3.5Å
779	I	64.9	Low	67.2	Low	30 Å²	30	42.3 Å²	42.3	15%	0.154	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-20.6	-176.6	-41	172.5	0	0	0	111	H731 F753 D776 L781	H731-I779 WeakPolarHBondContact CE1-CG2 3.43Å; H731-I779 WeakPolarHBondContact ND1-CG2 3.21Å; F753-I779 HydrophobicContact CD1-CG2 4.18Å; F753-I779 HydrophobicContact CE1-CG2 3.64Å; F753-I779 HydrophobicContact CE2-CG2 4.23Å; F753-I779 HydrophobicContact CZ-CG2 3.64Å; D776-I779 HydrophobicContact CB-CD1 4.19Å; D776-I779 HydrophobicContact CB-CG1 4.17Å; D776-I779 PolarHBondContact O-N 3.04Å; I779-L781 PolarHBondContact O-N 2.88Å
780	L	71.9	Confident	67.4	Low	8 Å²	8	42.5 Å²	42.5	4%	0.042	21%	0.214	C	C	.	.			trans	-71.1	110.4	174.8	-171.5	75.1	0	0	0	111.1	H767 V775 D776 R782 V790	H767-L780 VanDerWaalsContact CD2-CD1 3.49Å; H767-L780 WeakPolarHBondContact CD2-CD1 3.45Å; V775-L780 HydrophobicContact CG1-CB 4.02Å; V775-L780 HydrophobicContact CG1-CD1 4.08Å; D776-L780 PolarHBondContact O-N 3.46Å; D776-L780 VanDerWaalsContact O-N 3.13Å; L780-R782 HydrophobicContact CD2-CG 4.33Å; L780-R782 HydrophobicContact CG-CG 4.39Å; L780-V790 HydrophobicContact CD1-CG2 3.82Å
781	L	77	Confident	67.8	Low	3 Å²	3	42.1 Å²	42.1	2%	0.016	21%	0.212	C	C	.	.			trans	-82.3	130.9	175.2	-62	-179.2	0	0	0	110.1	I729 L756 R757 I765 H767 I779	I729-L781 HydrophobicContact CD1-CD1 3.42Å; I729-L781 VanDerWaalsContact CD1-CD1 3.42Å; I729-L781 HydrophobicContact CD1-CG 4Å; L756-L781 HydrophobicContact CB-CD1 3.67Å; L756-L781 HydrophobicContact CB-CD2 4.24Å; L756-L781 HydrophobicContact CD1-CD1 4.05Å; L756-L781 HydrophobicContact CG-CD1 4.38Å; R757-L781 HydrophobicContact CB-CD2 3.9Å; R757-L781 HydrophobicContact CG-CD2 4.48Å; I765-L781 HydrophobicContact CD1-CB 3.57Å; I765-L781 HydrophobicContact CD1-CD1 4.29Å; I765-L781 HydrophobicContact CG2-CB 4.32Å; H767-L781 PolarHBondContact CE1-N 2.8Å; H767-L781 PolarHBondContact NE2-N 2.82Å; I779-L781 PolarHBondContact O-N 2.88Å
782	R	76.5	Confident	68.2	Low	84 Å²	84	43.3 Å²	43.3	32%	0.317	22%	0.215	S	C	.	.			trans	-120.2	2	-177.8	-62.8	-171.3	-179.4	-150.5	-0.2	114.2	L780 A784	L780-R782 HydrophobicContact CD2-CG 4.33Å; L780-R782 HydrophobicContact CG-CG 4.39Å; R782-A784 PolarHBondContact O-N 3.11Å
783	N	80.1	Confident	68.7	Low	43 Å²	43	38.3 Å²	38.3	23%	0.23	19%	0.192	C	C	.	.			trans	-84.2	22.5	-174.9	61.3	-42.2	0	0	0	113.7	L756 R757 H759	L756-N783 PolarHBondContact O-ND2 3.37Å; R757-N783 PolarHBondContact O-ND2 3.25Å; H759-N783 PolarHBondContact O-ND2 2.93Å
784	A	79.6	Confident	68.6	Low	7 Å²	7	38 Å²	38	6%	0.058	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	136.1	174.4	0	0	0	0	0	111.4	I762 I765 R782 F787 V788	I762-A784 WeakPolarHBondContact O-CA 3.35Å; I765-A784 HydrophobicContact CB-CB 4.26Å; I765-A784 HydrophobicContact CD1-CB 3.82Å; I765-A784 HydrophobicContact CG1-CB 3.73Å; R782-A784 PolarHBondContact O-N 3.11Å; A784-F787 WeakPolarHBondContact CB-O 3.2Å; A784-V788 HydrophobicContact CB-CG2 3.68Å
785	Q	77.8	Confident	68.3	Low	123 Å²	123	32.3 Å²	32.3	58%	0.575	16%	0.163	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-70.9	-32	-179.4	-67.8	179.9	-1.9	0	0	112.9	N760 I762 G763	N760-Q785 PolarHBondContact O-NE2 3.35Å; I762-Q785 WeakPolarHBondContact O-CG 3.05Å; I762-Q785 PolarHBondContact O-N 3.16Å; G763-Q785 PolarHBondContact O-N 3.11Å
786	H	78.8	Confident	67.1	Low	100 Å²	100	31.8 Å²	31.8	46%	0.463	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	-47.8	-170.9	-60.3	-74.4	0	0	0	114.4	L491 G763	L491-H786 HydrophobicContact CD1-CB 4.48Å; L491-H786 HydrophobicContact CD2-CB 3.31Å; G763-H786 VanDerWaalsContact O-CB 3.29Å; G763-H786 WeakPolarHBondContact O-CB 3.39Å; G763-H786 PolarHBondContact O-CD2 2.84Å; G763-H786 PolarHBondContact O-N 3.15Å
787	F	79.8	Confident	65.8	Low	17 Å²	17	30.1 Å²	30.1	8%	0.075	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	150.1	-179.3	65.7	-96.9	0	0	0	112.8	H487 L491 L726 G764 I765 I766 A784 W789	H487-F787 HydrophobicContact CB-CE1 4Å; H487-F787 HydrophobicContact CB-CZ 4.3Å; L491-F787 HydrophobicContact CD1-CD1 4.34Å; L491-F787 HydrophobicContact CD1-CE1 3.66Å; L491-F787 HydrophobicContact CD1-CZ 4.46Å; L491-F787 HydrophobicContact CD2-CD1 4.07Å; L491-F787 HydrophobicContact CD2-CE1 3.99Å; L491-F787 HydrophobicContact CG-CE1 3.99Å; L726-F787 HydrophobicContact CD1-CE2 4.06Å; L726-F787 HydrophobicContact CD1-CZ 3.9Å; G764-F787 CarbonylContact C-O 3.52Å; G764-F787 WeakPolarHBondContact CA-O 3.43Å; I765-F787 PolarHBondContact N-O 2.8Å; I766-F787 HydrophobicContact CD1-CE2 4.37Å; I766-F787 HydrophobicContact CG1-CE2 3.99Å; A784-F787 WeakPolarHBondContact CB-O 3.2Å; F787-W789 AromaticContact CD2-CD1 3.62Å; F787-W789 AromaticContact CD2-CD2 3.83Å; F787-W789 HydrophobicContact CD2-CD2 3.83Å; F787-W789 AromaticContact CD2-CE2 3.75Å; F787-W789 AromaticContact CD2-CG 3.79Å; F787-W789 HydrophobicContact CD2-CG 3.79Å; F787-W789 AromaticContact CD2-NE1 3.56Å; F787-W789 AromaticContact CE2-CD2 3.91Å; F787-W789 HydrophobicContact CE2-CD2 3.91Å; F787-W789 HydrophobicContact CE2-CE3 4.27Å; F787-W789 HydrophobicContact CE2-CG 4.22Å; F787-W789 AromaticContact CG-NE1 3.88Å
788	V	81.5	Confident	64.5	Low	1 Å²	1	31.1 Å²	31.1	1%	0.006	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	119	166.4	-177.9	0	0	0	0	107.3	I765 A784 T838	I765-V788 HydrophobicContact CB-CG1 4.46Å; I765-V788 HydrophobicContact CB-CG2 4.43Å; I765-V788 CarbonylContact O-C 3.27Å; I765-V788 WeakPolarHBondContact O-CA 2.82Å; A784-V788 HydrophobicContact CB-CG2 3.68Å; V788-T838 PolarHBondContact O-N 3.28Å
789	W	77.2	Confident	63.3	Low	11 Å²	11	31.1 Å²	31.1	4%	0.042	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	135.1	177.1	-66.6	-8.3	0	0	0	110.3	H487 I765 I766 H767 F787 T838 L840 M872	H487-W789 HydrophobicContact CB-CH2 4.26Å; H487-W789 HydrophobicContact CB-CZ2 4.43Å; H487-W789 AromaticContact CD2-CH2 3.98Å; H487-W789 AromaticContact CD2-CZ2 3.5Å; H487-W789 VanDerWaalsContact CD2-CZ2 3.5Å; H487-W789 WeakPolarHBondContact CD2-CZ2 3.27Å; H487-W789 AromaticContact CE1-CH2 3.47Å; H487-W789 VanDerWaalsContact CE1-CH2 3.47Å; H487-W789 WeakPolarHBondContact CE1-CH2 3.49Å; H487-W789 AromaticContact CE1-CZ2 3.47Å; H487-W789 VanDerWaalsContact CE1-CZ2 3.47Å; H487-W789 WeakPolarHBondContact CE1-CZ2 3.27Å; H487-W789 AromaticContact CG-CH2 3.57Å; H487-W789 AromaticContact CG-CZ2 3.58Å; H487-W789 AromaticContact ND1-CH2 3.26Å; H487-W789 VanDerWaalsContact ND1-CH2 3.26Å; H487-W789 WeakPolarHBondContact ND1-CH2 3.41Å; H487-W789 AromaticContact ND1-CZ2 3.59Å; H487-W789 AromaticContact NE2-CH2 3.94Å; H487-W789 AromaticContact NE2-CZ2 3.45Å; H487-W789 WeakPolarHBondContact NE2-CZ2 3.44Å; I765-W789 PolarHBondContact O-N 2.88Å; I766-W789 CarbonylContact C-O 3.5Å; I766-W789 WeakPolarHBondContact CA-O 2.8Å; I766-W789 HydrophobicContact CD1-CE3 3.82Å; I766-W789 HydrophobicContact CD1-CZ3 4.25Å; I766-W789 HydrophobicContact CG1-CB 4.21Å; I766-W789 HydrophobicContact CG1-CD2 4.44Å; I766-W789 HydrophobicContact CG1-CE3 3.94Å; H767-W789 PolarHBondContact N-O 3.44Å; F787-W789 AromaticContact CD2-CD1 3.62Å; F787-W789 AromaticContact CD2-CD2 3.83Å; F787-W789 HydrophobicContact CD2-CD2 3.83Å; F787-W789 AromaticContact CD2-CE2 3.75Å; F787-W789 AromaticContact CD2-CG 3.79Å; F787-W789 HydrophobicContact CD2-CG 3.79Å; F787-W789 AromaticContact CD2-NE1 3.56Å; F787-W789 AromaticContact CE2-CD2 3.91Å; F787-W789 HydrophobicContact CE2-CD2 3.91Å; F787-W789 HydrophobicContact CE2-CE3 4.27Å; F787-W789 HydrophobicContact CE2-CG 4.22Å; F787-W789 AromaticContact CG-NE1 3.88Å; W789-T838 WeakPolarHBondContact CA-O 3.43Å; W789-L840 HydrophobicContact CB-CD1 4.13Å; W789-L840 HydrophobicContact CD2-CD1 3.48Å; W789-L840 VanDerWaalsContact CD2-CD1 3.48Å; W789-L840 HydrophobicContact CE3-CD1 4.1Å; W789-L840 HydrophobicContact CG-CD1 3.49Å; W789-L840 VanDerWaalsContact CG-CD1 3.49Å; W789-L840 HydrophobicContact CZ2-CD1 4.13Å; W789-M872 HydrophobicContact CE3-CE 4.27Å; W789-M872 HydrophobicContact CH2-CE 4.36Å; W789-M872 HydrophobicContact CZ3-CE 4.08Å
790	V	72.7	Confident	61.5	Low	4 Å²	4	34.2 Å²	34.2	2%	0.024	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	116.7	167.4	-177	0	0	0	0	106.9	H767 T769 V775 L780 T838 L840	H767-V790 HydrophobicContact CB-CG2 4.37Å; T769-V790 HydrophobicContact CG2-CG1 4.08Å; V775-V790 HydrophobicContact CG2-CG1 4.47Å; L780-V790 HydrophobicContact CD1-CG2 3.82Å; V790-T838 PolarHBondContact N-O 3.44Å; V790-L840 PolarHBondContact O-N 2.9Å; V790-L840 VanDerWaalsContact O-N 3.08Å
791	I	72	Confident	59.4	Low	2 Å²	2	40.5 Å²	40.5	1%	0.01	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	106.3	-179.2	-61.5	167.7	0	0	0	107.1	L480 I766 H767 L768 T769 L793 I842	L480-I791 HydrophobicContact CD1-CD1 3.6Å; I766-I791 HydrophobicContact CG2-CD1 3.39Å; I766-I791 HydrophobicContact CG2-CG1 4.24Å; H767-I791 PolarHBondContact O-N 2.86Å; L768-I791 HydrophobicContact CD2-CB 4.08Å; L768-I791 HydrophobicContact CD2-CD1 3.79Å; L768-I791 HydrophobicContact CD2-CG2 4.3Å; T769-I791 PolarHBondContact N-O 3.21Å; T769-I791 PolarHBondContact OG1-O 2.8Å; T769-I791 VanDerWaalsContact OG1-O 3.08Å; I791-L793 HydrophobicContact CG2-CD2 3.92Å; I791-L793 PolarHBondContact O-N 2.81Å; I791-I842 HydrophobicContact CB-CD1 4.4Å; I791-I842 HydrophobicContact CD1-CD1 3.42Å; I791-I842 VanDerWaalsContact CD1-CD1 3.42Å; I791-I842 HydrophobicContact CD1-CG1 4.39Å; I791-I842 HydrophobicContact CG1-CD1 3.74Å; I791-I842 HydrophobicContact CG1-CG1 4.19Å; I791-I842 HydrophobicContact CG2-CB 4.14Å; I791-I842 HydrophobicContact CG2-CD1 3.77Å; I791-I842 HydrophobicContact CG2-CG1 3.8Å
792	E	64.8	Low	56.8	Low	48 Å²	48	45.6 Å²	45.6	22%	0.224	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	108.7	170.6	-73.2	-178.5	-163.2	0	0	109.6	T769 G794	T769-E792 CarbonylContact O-C 3.57Å; T769-E792 VanDerWaalsContact O-CA 3.28Å; T769-E792 WeakPolarHBondContact O-CA 3.35Å; E792-G794 PolarHBondContact O-N 2.98Å
793	L	63.5	Low	54.3	Low	9 Å²	9	48.6 Å²	48.6	5%	0.047	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	109.3	172	-57.9	179.2	0	0	0	107.2	L516 L520 L768 T769 S771 I791 L795	L516-L793 HydrophobicContact CD2-CB 4.48Å; L516-L793 HydrophobicContact CD2-CD1 4.17Å; L516-L793 HydrophobicContact CG-CD1 4.44Å; L520-L793 HydrophobicContact CB-CD1 4.39Å; L520-L793 HydrophobicContact CD2-CD1 3.76Å; L520-L793 HydrophobicContact CD2-CD2 3.38Å; L520-L793 HydrophobicContact CD2-CG 4.23Å; L768-L793 HydrophobicContact CB-CD1 4.39Å; T769-L793 PolarHBondContact O-N 2.8Å; S771-L793 WeakPolarHBondContact CB-O 3.42Å; S771-L793 PolarHBondContact N-O 3.47Å; I791-L793 HydrophobicContact CG2-CD2 3.92Å; I791-L793 PolarHBondContact O-N 2.81Å; L793-L795 PolarHBondContact O-N 3.5Å
794	G	49.9	Very low	51.7	Low	18 Å²	18	50.7 Å²	50.7	19%	0.186	28%	0.278	C	S	.	.			trans	-64	2	176.8	0	0	0	0	0	114.5	R443 F447 E792	R443-G794 VanDerWaalsContact CD-O 3.23Å; R443-G794 WeakPolarHBondContact CD-O 3.35Å; R443-G794 PolarHBondContact NE-O 2.82Å; F447-G794 WeakPolarHBondContact CE2-O 3.22Å; E792-G794 PolarHBondContact O-N 2.98Å
795	L	41.7	Very low	49.1	Very low	4 Å²	4	57.2 Å²	57.2	2%	0.021	32%	0.317	C	S	.	.	S	Bend	trans	-88.2	161.7	-166	-62.4	172.5	0	0	0	112.8	F447 F472 L516 L793 I797 V844	F447-L795 HydrophobicContact CD1-CD2 3.52Å; F447-L795 HydrophobicContact CD2-CB 4.42Å; F447-L795 HydrophobicContact CD2-CD2 3.63Å; F447-L795 HydrophobicContact CE1-CD2 3.38Å; F447-L795 HydrophobicContact CE2-CB 4.47Å; F447-L795 HydrophobicContact CE2-CD2 3.51Å; F447-L795 HydrophobicContact CE2-CG 4.35Å; F447-L795 HydrophobicContact CG-CD2 3.65Å; F447-L795 HydrophobicContact CZ-CD2 3.38Å; F447-L795 HydrophobicContact CZ-CG 4.42Å; F472-L795 HydrophobicContact CD1-CD2 4.41Å; F472-L795 HydrophobicContact CE1-CD1 3.68Å; F472-L795 HydrophobicContact CE1-CD2 3.17Å; F472-L795 HydrophobicContact CE1-CG 4.1Å; F472-L795 HydrophobicContact CE2-CD2 4.48Å; F472-L795 HydrophobicContact CZ-CD1 4.4Å; F472-L795 HydrophobicContact CZ-CD2 3.22Å; F472-L795 HydrophobicContact CZ-CG 4.47Å; L516-L795 HydrophobicContact CD2-CB 3.19Å; L516-L795 HydrophobicContact CD2-CD1 3.02Å; L516-L795 HydrophobicContact CD2-CG 3.64Å; L516-L795 HydrophobicContact CG-CD1 4.43Å; L793-L795 PolarHBondContact O-N 3.5Å; L795-I797 PolarHBondContact O-N 3.38Å; L795-V844 HydrophobicContact CD1-CG1 4.35Å; L795-V844 HydrophobicContact CD1-CG2 3.65Å; L795-V844 HydrophobicContact CD2-CG1 4.49Å; L795-V844 HydrophobicContact CD2-CG2 4.23Å; L795-V844 HydrophobicContact CG-CG2 4.03Å
796	P	28.7	Very low	46.6	Very low	4 Å²	4	56 Å²	56	3%	0.026	32%	0.323	C	S	.	.			trans	-65	137.2	-163.8	13.6	-13.2	0	0	0	113.4	Q444 F447 W469 L798	Q444-P796 HydrophobicContact CB-CB 3.92Å; Q444-P796 HydrophobicContact CG-CB 3.49Å; Q444-P796 VanDerWaalsContact CG-CB 3.49Å; F447-P796 HydrophobicContact CB-CG 3.85Å; F447-P796 HydrophobicContact CD2-CG 4.38Å; W469-P796 HydrophobicContact CH2-CG 3.22Å; W469-P796 HydrophobicContact CZ2-CG 3.88Å; W469-P796 HydrophobicContact CZ3-CG 4.14Å; P796-L798 HydrophobicContact CB-CD1 4.27Å; P796-L798 HydrophobicContact CB-CG 4.03Å
797	I	30.4	Very low	44	Very low	22 Å²	22	57.1 Å²	57.1	11%	0.113	34%	0.342	C	S	.	.			trans	-84.4	115.6	154	-56.4	174	0	0	0	105.9	L440 Q444 D733 P770 Q772 L795 T799	L440-I797 HydrophobicContact CD2-CB 4.46Å; L440-I797 HydrophobicContact CD2-CD1 3.82Å; L440-I797 HydrophobicContact CD2-CG1 4.27Å; Q444-I797 PolarHBondContact NE2-O 2.9Å; D733-I797 WeakPolarHBondContact OD1-CD1 3.44Å; P770-I797 HydrophobicContact CB-CD1 4.26Å; P770-I797 HydrophobicContact CB-CG1 4.21Å; Q772-I797 HydrophobicContact CB-CD1 4.22Å; L795-I797 PolarHBondContact O-N 3.38Å; I797-T799 HydrophobicContact CG2-CG2 4.23Å
798	L	29.5	Very low	41.6	Very low	45 Å²	45	61.5 Å²	61.5	24%	0.236	37%	0.374	C	S	.	.			trans	-121.2	77.5	171.8	-69	167.3	0	0	0	108	N448 S575 P796	N448-L798 WeakPolarHBondContact OD1-CD1 3.26Å; S575-L798 PolarHBondContact OG-O 3.41Å; P796-L798 HydrophobicContact CB-CD1 4.27Å; P796-L798 HydrophobicContact CB-CG 4.03Å
799	T	30.1	Very low	38.8	Very low	70 Å²	70	68 Å²	68	43%	0.429	41%	0.414	S	S	.	.			trans	-69.5	139.5	157.5	49.4	0	0	0	0	108.2	I797 Q801	I797-T799 HydrophobicContact CG2-CG2 4.23Å; T799-Q801 VanDerWaalsContact C-N 3.35Å; T799-Q801 PolarHBondContact O-N 3.48Å
800	P	27	Very low	36.5	Very low	95 Å²	95	73.8 Å²	73.8	62%	0.617	45%	0.451	S	S	*	.			trans	-67.6	94.8	172.5	28.2	-30.9	0	0	0	108.7	C802	P800-C802 VanDerWaalsContact C-N 3.3Å; P800-C802 PolarHBondContact O-N 3.38Å; P800-C802 VanDerWaalsContact O-N 3.11Å
801	Q	28.4	Very low	34.2	Very low	141 Å²	141	80.1 Å²	80.1	66%	0.659	49%	0.49	S	S	*	.			trans	-74.2	97.7	156.6	-85.8	-169.2	-13.2	0	0	106.6	T799 H803	T799-Q801 VanDerWaalsContact C-N 3.35Å; T799-Q801 PolarHBondContact O-N 3.48Å; Q801-H803 PolarHBondContact O-N 3.22Å; Q801-H803 PolarHBondContact OE1-CE1 3.09Å; Q801-H803 VanDerWaalsContact OE1-CE1 3.23Å
802	C	22.5	Very low	32.1	Very low	109 Å²	109	85.2 Å²	85.2	74%	0.736	53%	0.526	S	S	*	.			trans	-56.8	92.9	154.3	-166	0	0	0	0	106.3	P800 S804	P800-C802 VanDerWaalsContact C-N 3.3Å; P800-C802 PolarHBondContact O-N 3.38Å; P800-C802 VanDerWaalsContact O-N 3.11Å; C802-S804 PolarHBondContact O-N 3.37Å
803	H	25.3	Very low	30.2	Very low	148 Å²	148	89.3 Å²	89.3	69%	0.685	55%	0.554	S	S	*	*			trans	-70.2	76.7	161.4	-70.8	-49.2	0	0	0	106.7	Q801 T805	Q801-H803 PolarHBondContact O-N 3.22Å; Q801-H803 PolarHBondContact OE1-CE1 3.09Å; Q801-H803 VanDerWaalsContact OE1-CE1 3.23Å; H803-T805 PolarHBondContact O-N 2.96Å
804	S	25	Very low	28.6	Very low	87 Å²	87	95.5 Å²	95.5	61%	0.608	59%	0.592	S	S	*	*			trans	-65.4	97.4	154.2	7.2	0	0	0	0	105.4	C802 S806	C802-S804 PolarHBondContact O-N 3.37Å; S804-S806 PolarHBondContact O-N 3.01Å
805	T	24.3	Very low	27.6	Very low	144 Å²	144	99.5 Å²	99.5	88%	0.883	62%	0.617	S	S	*	*			trans	-57.6	85.7	166.5	29.1	0	0	0	0	108.8	H803	H803-T805 PolarHBondContact O-N 2.96Å
806	S	26.6	Very low	26.9	Very low	98 Å²	98	105.9 Å²	105.9	69%	0.685	65%	0.65	S	S	*	*			trans	-118.7	102.1	159.2	48.9	0	0	0	0	107.7	S804 S808	S804-S806 PolarHBondContact O-N 3.01Å; S806-S808 PolarHBondContact O-N 2.96Å
807	S	24.2	Very low	26.9	Very low	123 Å²	123	111.2 Å²	111.2	86%	0.86	68%	0.684	S	S	*	*			trans	-47.8	113.5	168.7	49.9	0	0	0	0	111.6
808	S	27.5	Very low	26.8	Very low	109 Å²	109	116.9 Å²	116.9	76%	0.762	71%	0.714	S	S	*	*			trans	-162.8	124	140.7	53.6	0	0	0	0	110.9	S806 T810	S806-S808 PolarHBondContact O-N 2.96Å; S808-T810 PolarHBondContact O-N 3.37Å
809	T	24.3	Very low	26.8	Very low	138 Å²	138	121.3 Å²	121.3	85%	0.847	74%	0.743	S	S	*	*			trans	-53.8	120.8	168.7	41.1	0	0	0	0	112.2
810	T	27.7	Very low	26.7	Very low	132 Å²	132	126.5 Å²	126.5	81%	0.81	76%	0.762	S	S	*	*			trans	-155.5	119.4	142.7	39.4	0	0	0	0	111.1	S808	S808-T810 PolarHBondContact O-N 3.37Å
811	T	25	Very low	26.9	Very low	137 Å²	137	128.6 Å²	128.6	84%	0.84	77%	0.774	S	S	*	*			trans	-64.6	133.7	165.7	41.3	0	0	0	0	110.8
812	S	27.2	Very low	26.8	Very low	109 Å²	109	128.1 Å²	128.1	76%	0.762	78%	0.781	S	S	*	*			trans	-144.3	95.5	161.1	-79.1	0	0	0	0	110.6
813	T	25	Very low	27.1	Very low	134 Å²	134	131.3 Å²	131.3	82%	0.822	79%	0.789	S	S	*	*			trans	-66	122.7	159.4	43.4	0	0	0	0	109.5
814	V	30.8	Very low	27.1	Very low	138 Å²	138	132 Å²	132	84%	0.836	80%	0.798	S	S	*	*			trans	-118.3	109	166.9	-178.1	0	0	0	0	109.7
815	S	28	Very low	27.4	Very low	103 Å²	103	133.6 Å²	133.6	72%	0.72	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-70.5	136.9	178.9	-33.5	0	0	0	0	111.5
816	I	27	Very low	27.5	Very low	138 Å²	138	132.3 Å²	132.3	71%	0.708	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-85.3	129.2	170.8	-57.9	166.3	0	0	0	108.6
817	P	29.3	Very low	27.7	Very low	116 Å²	116	132.8 Å²	132.8	75%	0.753	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-85.4	118.5	163.2	24.6	-14.6	0	0	0	110.2
818	L	27.4	Very low	27.9	Very low	141 Å²	141	133.5 Å²	133.5	74%	0.738	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-78.3	130.1	159.5	-84.9	88.7	0	0	0	108.6
819	T	31.1	Very low	28	Very low	138 Å²	138	133.5 Å²	133.5	85%	0.847	81%	0.806	S	S	*	*			trans	-144.6	115.7	151.5	27	0	0	0	0	109.7
820	E	28.2	Very low	28.1	Very low	178 Å²	178	133.1 Å²	133.1	83%	0.832	80%	0.804	S	S	*	*			trans	-67.8	134.4	169.4	-61.6	171.7	154.2	0	0	110.1
821	T	30.5	Very low	28	Very low	139 Å²	139	134.2 Å²	134.2	85%	0.853	81%	0.805	S	S	*	*			trans	-148.8	108.8	149.7	32	0	0	0	0	109.4
822	T	26.2	Very low	28.2	Very low	132 Å²	132	133 Å²	133	81%	0.81	80%	0.798	S	S	*	*			trans	-51.1	142.2	159.7	32.2	0	0	0	0	111.5
823	L	29.3	Very low	28.3	Very low	175 Å²	175	135 Å²	135	92%	0.916	81%	0.805	S	S	*	*			trans	-165.6	124.8	145.6	-101.2	156.1	0	0	0	110.7
824	N	25	Very low	28.9	Very low	162 Å²	162	133.2 Å²	133.2	87%	0.866	80%	0.795	S	S	*	*			trans	-75.2	139.1	177.4	-66.6	-36.4	0	0	0	111.1
825	S	30.6	Very low	29.6	Very low	121 Å²	121	128.1 Å²	128.1	85%	0.846	77%	0.765	S	S	*	*			trans	-159.1	127.9	146.9	48.7	0	0	0	0	111.6
826	S	26.1	Very low	30.6	Very low	118 Å²	118	127.6 Å²	127.6	83%	0.825	76%	0.761	S	S	*	*			trans	-72	136.4	-177.3	50	0	0	0	0	114.4
827	S	31.9	Very low	31.9	Very low	107 Å²	107	122.6 Å²	122.6	75%	0.748	74%	0.738	S	S	*	*			trans	-163	104.4	143.9	56.3	0	0	0	0	110.7
828	T	28.7	Very low	33	Very low	138 Å²	138	119.7 Å²	119.7	85%	0.847	72%	0.718	S	S	*	*			trans	36.2	122.9	142.5	6.7	0	0	0	0	120.7
829	P	28.5	Very low	34	Very low	109 Å²	109	115.5 Å²	115.5	71%	0.708	69%	0.694	S	S	*	*			trans	-92.8	138.5	-173.7	36.4	-31.3	0	0	0	113.1
830	T	27.7	Very low	34.7	Very low	131 Å²	131	109.7 Å²	109.7	80%	0.804	66%	0.658	S	S	*	*			trans	-92.7	113	154.7	48.8	0	0	0	0	108.2	T832	T830-T832 PolarHBondContact O-N 3.26Å
831	N	25.5	Very low	35.4	Very low	155 Å²	155	103.2 Å²	103.2	83%	0.829	63%	0.629	S	S	*	*			trans	-58.9	99.4	-179.7	-74.5	-24	0	0	0	112
832	T	28.3	Very low	36.1	Very low	112 Å²	112	97.4 Å²	97.4	69%	0.687	59%	0.593	S	S	*	*			trans	-113.5	114.2	152	46.8	0	0	0	0	107.2	T830 T834	T830-T832 PolarHBondContact O-N 3.26Å; T832-T834 PolarHBondContact O-N 3.04Å
833	T	29.1	Very low	37	Very low	149 Å²	149	92.6 Å²	92.6	91%	0.914	56%	0.562	S	S	*	*			trans	-67.7	82.2	175.3	42.1	0	0	0	0	109.1	S835	T833-S835 PolarHBondContact O-N 3.38Å
834	T	37.4	Very low	37.7	Very low	98 Å²	98	85.2 Å²	85.2	60%	0.601	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-71.8	120	171.5	52.8	0	0	0	0	108.6	T832 S836	T832-T834 PolarHBondContact O-N 3.04Å; T834-S836 PolarHBondContact O-N 3.45Å
835	S	46.5	Very low	38.3	Very low	30 Å²	30	78.5 Å²	78.5	21%	0.21	49%	0.493	C	S	.	.	P	Polyproline II helix	trans	-61.7	130.9	172.6	52.9	0	0	0	0	109.5	T833	T833-S835 PolarHBondContact O-N 3.38Å
836	S	48.9	Very low	38.9	Very low	92 Å²	92	73.3 Å²	73.3	64%	0.643	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-65.3	134.9	174.2	52.8	0	0	0	0	109.3	T834 T838	T834-S836 PolarHBondContact O-N 3.45Å; S836-T838 PolarHBondContact O-N 3.41Å
837	P	52.8	Low	39.8	Very low	33 Å²	33	68.8 Å²	68.8	21%	0.214	43%	0.428	C	S	.	.	P	Polyproline II helix	trans	-61	126.3	177.9	25.3	-32.7	0	0	0	109.8
838	T	53.4	Low	40.3	Very low	56 Å²	56	67.3 Å²	67.3	34%	0.344	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	115	173.1	-48	0	0	0	0	107.7	V788 W789 V790 S836 L840	V788-T838 PolarHBondContact O-N 3.28Å; W789-T838 WeakPolarHBondContact CA-O 3.43Å; V790-T838 PolarHBondContact N-O 3.44Å; S836-T838 PolarHBondContact O-N 3.41Å; T838-L840 HydrophobicContact CG2-CD1 4.27Å; T838-L840 HydrophobicContact CG2-CD2 4.29Å; T838-L840 HydrophobicContact CG2-CG 4.11Å
839	H	49.1	Very low	41.1	Very low	52 Å²	52	66 Å²	66	24%	0.241	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	122	173.8	-67.8	-94.8	0	0	0	108.6	L875	H839-L875 HydrophobicContact CB-CB 4.17Å; H839-L875 HydrophobicContact CB-CD1 4.22Å; H839-L875 WeakPolarHBondContact O-CB 3.36Å; H839-L875 PolarHBondContact O-N 3.47Å
840	L	44.6	Very low	42.2	Very low	16 Å²	16	62.5 Å²	62.5	8%	0.084	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	117.2	-178.6	-69.4	152.8	0	0	0	107.4	W789 V790 T838 I842 M872 P874	W789-L840 HydrophobicContact CB-CD1 4.13Å; W789-L840 HydrophobicContact CD2-CD1 3.48Å; W789-L840 VanDerWaalsContact CD2-CD1 3.48Å; W789-L840 HydrophobicContact CE3-CD1 4.1Å; W789-L840 HydrophobicContact CG-CD1 3.49Å; W789-L840 VanDerWaalsContact CG-CD1 3.49Å; W789-L840 HydrophobicContact CZ2-CD1 4.13Å; V790-L840 PolarHBondContact O-N 2.9Å; V790-L840 VanDerWaalsContact O-N 3.08Å; T838-L840 HydrophobicContact CG2-CD1 4.27Å; T838-L840 HydrophobicContact CG2-CD2 4.29Å; T838-L840 HydrophobicContact CG2-CG 4.11Å; L840-I842 PolarHBondContact O-N 3.37Å; L840-M872 HydrophobicContact CB-CE 3.44Å; L840-M872 VanDerWaalsContact CB-CE 3.44Å; L840-M872 HydrophobicContact CD1-CE 3.37Å; L840-M872 HydrophobicContact CD2-CE 3.83Å; L840-M872 HydrophobicContact CG-CE 3.67Å; L840-P874 HydrophobicContact CD2-CB 3.88Å
841	L	42.3	Very low	43.2	Very low	43 Å²	43	56.7 Å²	56.7	23%	0.225	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	114.2	165.8	-130.7	110.9	0	0	0	106.5	W427 I873 L875	W427-L841 HydrophobicContact CZ2-CD1 3.59Å; L841-I873 PolarHBondContact N-O 3.03Å; L841-I873 PolarHBondContact O-N 2.76Å; L841-I873 VanDerWaalsContact O-N 3.15Å; L841-L875 HydrophobicContact CB-CD1 4.07Å; L841-L875 HydrophobicContact CB-CD2 4.07Å; L841-L875 HydrophobicContact CB-CG 4.28Å; L841-L875 HydrophobicContact CD1-CD1 3.61Å; L841-L875 HydrophobicContact CD1-CD2 4.44Å; L841-L875 HydrophobicContact CG-CD1 4.45Å
842	I	45.3	Very low	44.2	Very low	16 Å²	16	55.7 Å²	55.7	8%	0.082	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	113.4	172.8	-56	-168.2	0	0	0	106.8	L480 I791 L840 V844 M872	L480-I842 HydrophobicContact CB-CD1 4.33Å; L480-I842 HydrophobicContact CD1-CD1 3.48Å; L480-I842 VanDerWaalsContact CD1-CD1 3.48Å; L480-I842 HydrophobicContact CG-CD1 4.41Å; I791-I842 HydrophobicContact CB-CD1 4.4Å; I791-I842 HydrophobicContact CD1-CD1 3.42Å; I791-I842 VanDerWaalsContact CD1-CD1 3.42Å; I791-I842 HydrophobicContact CD1-CG1 4.39Å; I791-I842 HydrophobicContact CG1-CD1 3.74Å; I791-I842 HydrophobicContact CG1-CG1 4.19Å; I791-I842 HydrophobicContact CG2-CB 4.14Å; I791-I842 HydrophobicContact CG2-CD1 3.77Å; I791-I842 HydrophobicContact CG2-CG1 3.8Å; L840-I842 PolarHBondContact O-N 3.37Å; I842-V844 PolarHBondContact O-N 3.1Å; I842-M872 HydrophobicContact CD1-CE 3.7Å; I842-M872 HydrophobicContact CD1-CG 4.34Å; I842-M872 HydrophobicContact CD1-SD 4.08Å; I842-M872 HydrophobicContact CG1-CE 3.79Å; I842-M872 HydrophobicContact CG1-CG 4.01Å; I842-M872 HydrophobicContact CG1-SD 4.3Å
843	D	45.5	Very low	45.4	Very low	31 Å²	31	59.2 Å²	59.2	17%	0.166	32%	0.324	C	S	.	.			trans	-61.9	121.3	166.8	-165.4	-0.4	0	0	0	108.3	G845 L866 S871	D843-G845 PolarHBondContact O-N 3.38Å; D843-L866 VanDerWaalsContact OD2-C 3.3Å; D843-S871 WeakPolarHBondContact CB-O 3.24Å; D843-S871 WeakPolarHBondContact CB-OG 3.39Å; D843-S871 PolarHBondContact N-O 2.97Å; D843-S871 PolarHBondContact OD2-OG 3.36Å
844	V	44.7	Very low	46.3	Very low	21 Å²	21	53.6 Å²	53.6	13%	0.127	29%	0.288	C	S	.	.			trans	-75.3	84.3	176.4	172.8	0	0	0	0	105.1	F472 A476 L795 I842 L846	F472-V844 HydrophobicContact CE1-CG1 3.61Å; F472-V844 HydrophobicContact CE2-CG1 4.26Å; F472-V844 HydrophobicContact CZ-CB 4.36Å; F472-V844 HydrophobicContact CZ-CG1 3.4Å; F472-V844 VanDerWaalsContact CZ-CG1 3.4Å; A476-V844 HydrophobicContact CB-CB 4.24Å; A476-V844 HydrophobicContact CB-CG1 3.27Å; A476-V844 HydrophobicContact CB-CG2 4.28Å; L795-V844 HydrophobicContact CD1-CG1 4.35Å; L795-V844 HydrophobicContact CD1-CG2 3.65Å; L795-V844 HydrophobicContact CD2-CG1 4.49Å; L795-V844 HydrophobicContact CD2-CG2 4.23Å; L795-V844 HydrophobicContact CG-CG2 4.03Å; I842-V844 PolarHBondContact O-N 3.1Å; V844-L846 PolarHBondContact O-N 3.48Å
845	G	36.6	Very low	47	Very low	21 Å²	21	51.5 Å²	51.5	22%	0.216	28%	0.275	C	S	.	.			trans	-58.3	78.7	-171	0	0	0	0	0	112.4	D843 G847	D843-G845 PolarHBondContact O-N 3.38Å; G845-G847 PolarHBondContact O-N 3.09Å
846	L	44.4	Very low	47.1	Very low	11 Å²	11	53.7 Å²	53.7	6%	0.058	30%	0.302	C	S	.	.			trans	-62.2	94	153.6	-64.5	172.5	0	0	0	104.4	L450 I467 F472 V844 R848 I850 V851 F867	L450-L846 HydrophobicContact CD1-CD1 3.7Å; L450-L846 HydrophobicContact CD2-CD1 4.4Å; I467-L846 HydrophobicContact CD1-CD2 3.62Å; F472-L846 HydrophobicContact CD2-CD2 3.92Å; F472-L846 HydrophobicContact CE2-CD1 4.13Å; F472-L846 HydrophobicContact CE2-CD2 3.92Å; F472-L846 HydrophobicContact CE2-CG 4.21Å; V844-L846 PolarHBondContact O-N 3.48Å; L846-R848 PolarHBondContact O-N 2.89Å; L846-I850 HydrophobicContact CD2-CG2 4.08Å; L846-V851 HydrophobicContact CB-CG2 3.49Å; L846-V851 VanDerWaalsContact CB-CG2 3.49Å; L846-V851 HydrophobicContact CD1-CG2 4.4Å; L846-V851 WeakPolarHBondContact O-CG2 2.93Å; L846-F867 HydrophobicContact CB-CD1 4.49Å; L846-F867 HydrophobicContact CB-CE1 4.4Å; L846-F867 WeakPolarHBondContact O-CD1 3.4Å
847	G	44.2	Very low	47	Very low	24 Å²	24	52.3 Å²	52.3	25%	0.247	29%	0.288	C	S	.	.			trans	-50.2	145.5	-179.4	0	0	0	0	0	109.2	G845 N849 I850 V851	G845-G847 PolarHBondContact O-N 3.09Å; G847-N849 PolarHBondContact O-N 3.32Å; G847-I850 WeakPolarHBondContact O-CA 3.48Å; G847-I850 WeakPolarHBondContact O-CB 3.49Å; G847-I850 PolarHBondContact O-N 3.24Å; G847-V851 PolarHBondContact O-N 2.85Å
848	R	42.7	Very low	46.5	Very low	76 Å²	76	55.5 Å²	55.5	29%	0.287	30%	0.303	S	S	.	.	H	α-helix	trans	-45.1	-32.9	-179.8	-74.8	-171.6	-178.8	128.4	2.3	113	L846 R852 Y864 F867 D868	L846-R848 PolarHBondContact O-N 2.89Å; R848-R852 WeakPolarHBondContact O-CA 3.17Å; R848-R852 WeakPolarHBondContact O-CB 3.4Å; R848-R852 PolarHBondContact O-N 3.06Å; R848-Y864 PolarHBondContact NH2-O 3.17Å; R848-F867 HydrophobicContact CG-CB 3.55Å; R848-D868 IonicContact CZ-OD1 2.79Å; R848-D868 IonicContact CZ-OD2 3.6Å; R848-D868 IonicContact NH1-OD1 3.75Å; R848-D868 PolarHBondContact NH1-OD1 3.11Å; R848-D868 IonicContact NH1-OD2 2.56Å; R848-D868 IonicContact NH2-OD1 2.68Å; R848-D868 PolarHBondContact NH2-OD1 3.5Å; R848-D868 IonicContact NH2-OD2 3.93Å; R848-D868 PolarHBondContact NH2-OD2 3.07Å
849	N	45	Very low	46.1	Very low	110 Å²	110	59.6 Å²	59.6	59%	0.588	32%	0.323	S	S	*	.	H	α-helix	trans	-66	-37.1	177.2	-66.2	-20.3	0	0	0	113.8	G847 K853	G847-N849 PolarHBondContact O-N 3.32Å; N849-K853 VanDerWaalsContact O-CB 3.31Å; N849-K853 WeakPolarHBondContact O-CB 3.25Å; N849-K853 VanDerWaalsContact O-CG 3.24Å; N849-K853 WeakPolarHBondContact O-CG 3.35Å; N849-K853 PolarHBondContact O-N 2.91Å
850	I	52	Low	45.8	Very low	35 Å²	35	63.2 Å²	63.2	18%	0.179	34%	0.343	C	S	.	.	H	α-helix	trans	-68.3	-55.7	174	-65.1	172.3	0	0	0	107.7	I467 S475 L846 G847 R852 K853 L854	I467-I850 HydrophobicContact CD1-CG2 4.22Å; I467-I850 HydrophobicContact CG2-CG2 4.24Å; S475-I850 WeakPolarHBondContact OG-CD1 3.44Å; L846-I850 HydrophobicContact CD2-CG2 4.08Å; G847-I850 WeakPolarHBondContact O-CA 3.48Å; G847-I850 WeakPolarHBondContact O-CB 3.49Å; G847-I850 PolarHBondContact O-N 3.24Å; I850-R852 VanDerWaalsContact C-N 3.31Å; I850-R852 PolarHBondContact O-N 3.18Å; I850-K853 PolarHBondContact O-N 2.96Å; I850-L854 HydrophobicContact CG2-CD1 3.52Å; I850-L854 HydrophobicContact CG2-CG 4.15Å; I850-L854 WeakPolarHBondContact O-CB 3.25Å; I850-L854 WeakPolarHBondContact O-CG 3.46Å; I850-L854 PolarHBondContact O-N 3.26Å
851	V	49.4	Very low	45.6	Very low	10 Å²	10	64.5 Å²	64.5	6%	0.061	35%	0.349	C	S	.	.	H	α-helix	trans	-62.5	-38	-177.9	-155.8	0	0	0	0	112.3	L846 G847 K853 L854 T855 L861 F867	L846-V851 HydrophobicContact CB-CG2 3.49Å; L846-V851 VanDerWaalsContact CB-CG2 3.49Å; L846-V851 HydrophobicContact CD1-CG2 4.4Å; L846-V851 WeakPolarHBondContact O-CG2 2.93Å; G847-V851 PolarHBondContact O-N 2.85Å; V851-K853 PolarHBondContact O-N 2.94Å; V851-L854 PolarHBondContact O-N 3.01Å; V851-L854 VanDerWaalsContact O-N 3.09Å; V851-T855 HydrophobicContact CG1-CG2 3.94Å; V851-T855 PolarHBondContact O-N 3.27Å; V851-T855 PolarHBondContact O-OG1 2.9Å; V851-T855 VanDerWaalsContact O-OG1 3.14Å; V851-L861 HydrophobicContact CB-CD2 3.86Å; V851-L861 HydrophobicContact CG1-CD2 3.15Å; V851-F867 HydrophobicContact CG1-CZ 4.42Å; V851-F867 HydrophobicContact CG2-CD1 3.91Å; V851-F867 HydrophobicContact CG2-CE1 3.69Å; V851-F867 HydrophobicContact CG2-CG 4.44Å; V851-F867 HydrophobicContact CG2-CZ 4.04Å
852	R	47	Very low	45.4	Very low	134 Å²	134	64.5 Å²	64.5	51%	0.506	35%	0.352	S	S	.	.	H	α-helix	trans	-61.8	-40	173.9	-178.3	-173.4	-85.9	147.4	-13.1	112.4	R848 I850 L854	R848-R852 WeakPolarHBondContact O-CA 3.17Å; R848-R852 WeakPolarHBondContact O-CB 3.4Å; R848-R852 PolarHBondContact O-N 3.06Å; I850-R852 VanDerWaalsContact C-N 3.31Å; I850-R852 PolarHBondContact O-N 3.18Å; R852-L854 VanDerWaalsContact C-N 3.3Å
853	K	52.8	Low	45	Very low	185 Å²	185	67 Å²	67	80%	0.804	37%	0.369	S	S	*	.	H	α-helix	trans	-70	-28.5	173.6	-79.2	-177.8	177.6	-168.1	0	112.2	N849 I850 V851	N849-K853 VanDerWaalsContact O-CB 3.31Å; N849-K853 WeakPolarHBondContact O-CB 3.25Å; N849-K853 VanDerWaalsContact O-CG 3.24Å; N849-K853 WeakPolarHBondContact O-CG 3.35Å; N849-K853 PolarHBondContact O-N 2.91Å; I850-K853 PolarHBondContact O-N 2.96Å; V851-K853 PolarHBondContact O-N 2.94Å
854	L	48.6	Very low	44.4	Very low	31 Å²	31	73.6 Å²	73.6	16%	0.162	39%	0.393	C	S	.	.	H	α-helix	trans	-87.4	-39.3	-174.7	-66.1	176	0	0	0	114.1	L450 F464 I467 I850 V851 R852	L450-L854 HydrophobicContact CD2-CD1 4.2Å; F464-L854 WeakPolarHBondContact CD2-O 3.24Å; F464-L854 HydrophobicContact CE2-CB 3.61Å; F464-L854 HydrophobicContact CE2-CD2 3.39Å; F464-L854 HydrophobicContact CE2-CG 3.98Å; F464-L854 WeakPolarHBondContact CE2-O 3.46Å; F464-L854 HydrophobicContact CZ-CB 3.99Å; F464-L854 HydrophobicContact CZ-CD1 4.29Å; F464-L854 HydrophobicContact CZ-CD2 3.61Å; F464-L854 HydrophobicContact CZ-CG 4.11Å; I467-L854 HydrophobicContact CD1-CD1 4.4Å; I467-L854 HydrophobicContact CG2-CD1 3.59Å; I467-L854 HydrophobicContact CG2-CD2 3.31Å; I467-L854 HydrophobicContact CG2-CG 3.95Å; I850-L854 HydrophobicContact CG2-CD1 3.52Å; I850-L854 HydrophobicContact CG2-CG 4.15Å; I850-L854 WeakPolarHBondContact O-CB 3.25Å; I850-L854 WeakPolarHBondContact O-CG 3.46Å; I850-L854 PolarHBondContact O-N 3.26Å; V851-L854 PolarHBondContact O-N 3.01Å; V851-L854 VanDerWaalsContact O-N 3.09Å; R852-L854 VanDerWaalsContact C-N 3.3Å
855	T	51.1	Low	44	Very low	54 Å²	54	73.1 Å²	73.1	33%	0.331	39%	0.392	S	S	.	.	H	α-helix	trans	-92.5	-24.7	-174.7	62.2	0	0	0	0	113.1	V851 D857 L861	V851-T855 HydrophobicContact CG1-CG2 3.94Å; V851-T855 PolarHBondContact O-N 3.27Å; V851-T855 PolarHBondContact O-OG1 2.9Å; V851-T855 VanDerWaalsContact O-OG1 3.14Å; T855-D857 PolarHBondContact O-N 3.3Å; T855-D857 PolarHBondContact OG1-O 3.15Å; T855-L861 HydrophobicContact CG2-CD2 4.33Å
856	G	48.1	Very low	44	Very low	76 Å²	76	73.3 Å²	73.3	78%	0.784	39%	0.388	S	S	*	.	S	Bend	trans	62	-18.9	-173.3	0	0	0	0	0	114.9
857	D	47.3	Very low	43.7	Very low	64 Å²	64	74.2 Å²	74.2	34%	0.342	39%	0.392	S	S	.	.			trans	-117.5	116.3	-177.6	-166	-8.8	0	0	0	109.2	T855 N859 L860	T855-D857 PolarHBondContact O-N 3.3Å; T855-D857 PolarHBondContact OG1-O 3.15Å; D857-N859 PolarHBondContact O-N 3.39Å; D857-N859 WeakPolarHBondContact OD1-CB 3.11Å; D857-N859 PolarHBondContact OD1-N 3.15Å; D857-N859 PolarHBondContact OD1-ND2 3.39Å; D857-L860 HydrophobicContact CB-CD1 4.06Å; D857-L860 HydrophobicContact CB-CG 4.34Å
858	L	43	Very low	43.3	Very low	100 Å²	100	76.8 Å²	76.8	52%	0.524	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-70.5	-18.7	178.1	-73.3	160.5	0	0	0	112	L861	L858-L861 HydrophobicContact CD2-CD1 3.93Å
859	N	45	Very low	43	Very low	142 Å²	142	82 Å²	82	76%	0.759	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-82.5	-15.5	-174.3	-56.4	-57.1	0	0	0	113.3	D857 L861	D857-N859 PolarHBondContact O-N 3.39Å; D857-N859 WeakPolarHBondContact OD1-CB 3.11Å; D857-N859 PolarHBondContact OD1-N 3.15Å; D857-N859 PolarHBondContact OD1-ND2 3.39Å; N859-L861 VanDerWaalsContact C-N 3.34Å
860	L	41.3	Very low	42.6	Very low	128 Å²	128	79.6 Å²	79.6	67%	0.67	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-88.6	-4.6	176.3	-66.4	172.5	0	0	0	112.6	D857	D857-L860 HydrophobicContact CB-CD1 4.06Å; D857-L860 HydrophobicContact CB-CG 4.34Å
861	L	40.5	Very low	41.9	Very low	42 Å²	42	79.2 Å²	79.2	22%	0.22	43%	0.434	C	S	.	.	S	Bend	trans	-80	133.5	179.9	-61.5	175.1	0	0	0	110.3	V851 T855 L858 N859 F867	V851-L861 HydrophobicContact CB-CD2 3.86Å; V851-L861 HydrophobicContact CG1-CD2 3.15Å; T855-L861 HydrophobicContact CG2-CD2 4.33Å; L858-L861 HydrophobicContact CD2-CD1 3.93Å; N859-L861 VanDerWaalsContact C-N 3.34Å; L861-F867 HydrophobicContact CD2-CE2 4.4Å
862	P	38.1	Very low	41.6	Very low	43 Å²	43	80 Å²	80	28%	0.279	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-60.9	154.4	164.4	28.2	-33.9	0	0	0	110.1	L866 F867	P862-L866 HydrophobicContact CB-CD1 3.5Å; P862-L866 HydrophobicContact CG-CB 4.37Å; P862-L866 HydrophobicContact CG-CD1 3.83Å; P862-F867 HydrophobicContact CG-CE2 3.71Å; P862-F867 HydrophobicContact CG-CZ 3.9Å
863	P	37.8	Very low	41.4	Very low	68 Å²	68	74.8 Å²	74.8	44%	0.442	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-54.4	152.3	-165.8	17.5	-30.5	0	0	0	113.5	G865 L866	P863-G865 PolarHBondContact O-N 3.03Å; P863-L866 PolarHBondContact O-N 3.47Å; P863-L866 VanDerWaalsContact O-N 3.09Å
864	Y	33.9	Very low	40.9	Very low	170 Å²	170	69.8 Å²	69.8	67%	0.667	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-37.3	-31.5	-170.9	-72.2	-93	0	0	0	116.2	R848 L866	R848-Y864 PolarHBondContact NH2-O 3.17Å; Y864-L866 VanDerWaalsContact C-N 3.3Å; Y864-L866 PolarHBondContact O-N 3.4Å
865	G	35	Very low	40.4	Very low	11 Å²	11	69.6 Å²	69.6	11%	0.113	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-73.4	-4.9	-178.6	0	0	0	0	0	117.3	P863	P863-G865 PolarHBondContact O-N 3.03Å
866	L	37.3	Very low	39.7	Very low	25 Å²	25	78.4 Å²	78.4	13%	0.131	43%	0.432	C	S	.	.	G	3₁₀ helix	trans	-90.9	0.9	-179.2	-102.2	156.7	0	0	0	115.3	V435 D843 P862 P863 Y864	V435-L866 HydrophobicContact CB-CD1 4.34Å; V435-L866 HydrophobicContact CG1-CD1 4.01Å; V435-L866 HydrophobicContact CG1-CD2 3.78Å; V435-L866 HydrophobicContact CG1-CG 4.13Å; V435-L866 HydrophobicContact CG2-CD1 3.95Å; V435-L866 HydrophobicContact CG2-CD2 4.26Å; V435-L866 HydrophobicContact CG2-CG 3.82Å; D843-L866 VanDerWaalsContact OD2-C 3.3Å; P862-L866 HydrophobicContact CB-CD1 3.5Å; P862-L866 HydrophobicContact CG-CB 4.37Å; P862-L866 HydrophobicContact CG-CD1 3.83Å; P863-L866 PolarHBondContact O-N 3.47Å; P863-L866 VanDerWaalsContact O-N 3.09Å; Y864-L866 VanDerWaalsContact C-N 3.3Å; Y864-L866 PolarHBondContact O-N 3.4Å
867	F	38.6	Very low	39.1	Very low	31 Å²	31	79.4 Å²	79.4	14%	0.136	43%	0.428	C	S	.	.	S	Bend	trans	-143.4	14.5	-176.3	-58.2	-67.5	0	0	0	113.1	L846 R848 V851 L861 P862	L846-F867 HydrophobicContact CB-CD1 4.49Å; L846-F867 HydrophobicContact CB-CE1 4.4Å; L846-F867 WeakPolarHBondContact O-CD1 3.4Å; R848-F867 HydrophobicContact CG-CB 3.55Å; V851-F867 HydrophobicContact CG1-CZ 4.42Å; V851-F867 HydrophobicContact CG2-CD1 3.91Å; V851-F867 HydrophobicContact CG2-CE1 3.69Å; V851-F867 HydrophobicContact CG2-CG 4.44Å; V851-F867 HydrophobicContact CG2-CZ 4.04Å; L861-F867 HydrophobicContact CD2-CE2 4.4Å; P862-F867 HydrophobicContact CG-CE2 3.71Å; P862-F867 HydrophobicContact CG-CZ 3.9Å
868	D	35.8	Very low	38.2	Very low	78 Å²	78	85.1 Å²	85.1	42%	0.417	45%	0.452	S	S	.	.	S	Bend	trans	-80.4	141.9	174.2	-92.8	-33.6	0	0	0	110.2	R848 G870 S871	R848-D868 IonicContact CZ-OD1 2.79Å; R848-D868 IonicContact CZ-OD2 3.6Å; R848-D868 IonicContact NH1-OD1 3.75Å; R848-D868 PolarHBondContact NH1-OD1 3.11Å; R848-D868 IonicContact NH1-OD2 2.56Å; R848-D868 IonicContact NH2-OD1 2.68Å; R848-D868 PolarHBondContact NH2-OD1 3.5Å; R848-D868 IonicContact NH2-OD2 3.93Å; R848-D868 PolarHBondContact NH2-OD2 3.07Å; D868-G870 PolarHBondContact O-N 3.33Å; D868-S871 PolarHBondContact O-N 3.23Å; D868-S871 PolarHBondContact O-OG 3.37Å
869	L	36.1	Very low	37.6	Very low	184 Å²	184	88.8 Å²	88.8	96%	0.963	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	24.6	-173.4	-72.6	148.5	0	0	0	115.1
870	G	35.7	Very low	37	Very low	61 Å²	61	86.3 Å²	86.3	63%	0.629	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-142.5	13.8	-178.5	0	0	0	0	0	116.1	D868 M872	D868-G870 PolarHBondContact O-N 3.33Å; G870-M872 PolarHBondContact O-N 3.25Å; G870-M872 VanDerWaalsContact O-N 3.08Å
871	S	38.3	Very low	36.2	Very low	26 Å²	26	88 Å²	88	18%	0.182	47%	0.47	C	S	.	.			trans	-87	67.6	-170.5	52.8	0	0	0	0	115.1	D843 D868	D843-S871 WeakPolarHBondContact CB-O 3.24Å; D843-S871 WeakPolarHBondContact CB-OG 3.39Å; D843-S871 PolarHBondContact N-O 2.97Å; D843-S871 PolarHBondContact OD2-OG 3.36Å; D868-S871 PolarHBondContact O-N 3.23Å; D868-S871 PolarHBondContact O-OG 3.37Å
872	M	42.2	Very low	35.5	Very low	28 Å²	28	90.5 Å²	90.5	14%	0.138	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	116.5	145.9	-75.2	-170.5	73.4	0	0	107.8	N483 W789 L840 I842 G870 P874	N483-M872 HydrophobicContact CB-SD 3.37Å; N483-M872 WeakPolarHBondContact CB-SD 3.38Å; N483-M872 PolarHBondContact OD1-SD 3.45Å; W789-M872 HydrophobicContact CE3-CE 4.27Å; W789-M872 HydrophobicContact CH2-CE 4.36Å; W789-M872 HydrophobicContact CZ3-CE 4.08Å; L840-M872 HydrophobicContact CB-CE 3.44Å; L840-M872 VanDerWaalsContact CB-CE 3.44Å; L840-M872 HydrophobicContact CD1-CE 3.37Å; L840-M872 HydrophobicContact CD2-CE 3.83Å; L840-M872 HydrophobicContact CG-CE 3.67Å; I842-M872 HydrophobicContact CD1-CE 3.7Å; I842-M872 HydrophobicContact CD1-CG 4.34Å; I842-M872 HydrophobicContact CD1-SD 4.08Å; I842-M872 HydrophobicContact CG1-CE 3.79Å; I842-M872 HydrophobicContact CG1-CG 4.01Å; I842-M872 HydrophobicContact CG1-SD 4.3Å; G870-M872 PolarHBondContact O-N 3.25Å; G870-M872 VanDerWaalsContact O-N 3.08Å; M872-P874 VanDerWaalsContact O-CD 3.28Å; M872-P874 WeakPolarHBondContact O-CD 3.24Å
873	I	43.1	Very low	35	Very low	23 Å²	23	94.3 Å²	94.3	12%	0.118	51%	0.514	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	109.6	174.2	-57.4	175.1	0	0	0	107.4	Y428 T429 L841 L875	Y428-I873 VanDerWaalsContact O-CG2 3.31Å; Y428-I873 WeakPolarHBondContact O-CG2 3.47Å; T429-I873 HydrophobicContact CG2-CD1 4.14Å; L841-I873 PolarHBondContact N-O 3.03Å; L841-I873 PolarHBondContact O-N 2.76Å; L841-I873 VanDerWaalsContact O-N 3.15Å; I873-L875 HydrophobicContact CG2-CD2 4.16Å; I873-L875 PolarHBondContact O-N 3.16Å
874	P	41.2	Very low	34.5	Very low	81 Å²	81	98.4 Å²	98.4	53%	0.526	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	117.4	170.2	25.1	-30.4	0	0	0	109.4	L840 M872 R876	L840-P874 HydrophobicContact CD2-CB 3.88Å; M872-P874 VanDerWaalsContact O-CD 3.28Å; M872-P874 WeakPolarHBondContact O-CD 3.24Å; P874-R876 PolarHBondContact O-N 2.89Å
875	L	39.9	Very low	34.1	Very low	27 Å²	27	98.3 Å²	98.3	14%	0.141	53%	0.532	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	105.7	177	-49.5	174.7	0	0	0	107.6	W427 H839 L841 I873	W427-L875 HydrophobicContact CD2-CD2 3.66Å; W427-L875 HydrophobicContact CE3-CD2 3.2Å; W427-L875 HydrophobicContact CE3-CG 4.35Å; W427-L875 HydrophobicContact CH2-CB 4.24Å; W427-L875 HydrophobicContact CH2-CD1 3.47Å; W427-L875 VanDerWaalsContact CH2-CD1 3.47Å; W427-L875 HydrophobicContact CH2-CD2 3.59Å; W427-L875 HydrophobicContact CH2-CG 3.91Å; W427-L875 HydrophobicContact CZ2-CD1 3.75Å; W427-L875 HydrophobicContact CZ2-CD2 3.98Å; W427-L875 HydrophobicContact CZ2-CG 4.43Å; W427-L875 HydrophobicContact CZ3-CB 4.02Å; W427-L875 HydrophobicContact CZ3-CD1 3.96Å; W427-L875 HydrophobicContact CZ3-CD2 3.16Å; W427-L875 HydrophobicContact CZ3-CG 3.85Å; H839-L875 HydrophobicContact CB-CB 4.17Å; H839-L875 HydrophobicContact CB-CD1 4.22Å; H839-L875 WeakPolarHBondContact O-CB 3.36Å; H839-L875 PolarHBondContact O-N 3.47Å; L841-L875 HydrophobicContact CB-CD1 4.07Å; L841-L875 HydrophobicContact CB-CD2 4.07Å; L841-L875 HydrophobicContact CB-CG 4.28Å; L841-L875 HydrophobicContact CD1-CD1 3.61Å; L841-L875 HydrophobicContact CD1-CD2 4.44Å; L841-L875 HydrophobicContact CG-CD1 4.45Å; I873-L875 HydrophobicContact CG2-CD2 4.16Å; I873-L875 PolarHBondContact O-N 3.16Å
876	R	35.4	Very low	33.7	Very low	238 Å²	238	106.5 Å²	106.5	90%	0.898	57%	0.568	S	S	*	*			trans	-80.2	122.4	164.1	-72.4	-172.6	173.9	-179.2	-0.9	107.5	P874 E878	P874-R876 PolarHBondContact O-N 2.89Å; R876-E878 PolarHBondContact O-N 3.41Å
877	S	34.7	Very low	33.1	Very low	98 Å²	98	113.3 Å²	113.3	69%	0.685	60%	0.602	S	S	*	*			trans	-58.2	130.3	162.9	62.1	0	0	0	0	107.5	Q879	S877-Q879 VanDerWaalsContact C-N 3.26Å; S877-Q879 PolarHBondContact O-N 2.88Å
878	E	30.2	Very low	32.6	Very low	184 Å²	184	116.9 Å²	116.9	86%	0.86	63%	0.631	S	S	*	*			trans	-54.4	98	166	-82.8	-170.2	152.9	0	0	108	R876 S880	R876-E878 PolarHBondContact O-N 3.41Å; E878-S880 PolarHBondContact O-N 3.46Å
879	Q	30.4	Very low	32.3	Very low	177 Å²	177	128.6 Å²	128.6	83%	0.827	67%	0.67	S	S	*	*			trans	-70.4	97	165.5	-156.8	170.9	19.5	0	0	104.3	S877 N881	S877-Q879 VanDerWaalsContact C-N 3.26Å; S877-Q879 PolarHBondContact O-N 2.88Å; Q879-N881 PolarHBondContact O-N 3.27Å
880	S	30.7	Very low	32.1	Very low	89 Å²	89	125.9 Å²	125.9	62%	0.622	66%	0.655	S	S	*	*			trans	15.2	106.6	160	55.4	0	0	0	0	114.2	E878 S882	E878-S880 PolarHBondContact O-N 3.46Å; S880-S882 PolarHBondContact O-N 3.4Å
881	N	25	Very low	31.9	Very low	163 Å²	163	129.3 Å²	129.3	87%	0.872	66%	0.657	S	S	*	*	S	Bend	trans	-36.6	97.7	163.7	-80.1	-44.5	0	0	0	111.9	Q879	Q879-N881 PolarHBondContact O-N 3.27Å
882	S	25.7	Very low	31.5	Very low	96 Å²	96	135 Å²	135	67%	0.671	68%	0.683	S	S	*	*			trans	-165.8	136.3	152.4	59.5	0	0	0	0	108.2	S880	S880-S882 PolarHBondContact O-N 3.4Å
883	V	27.9	Very low	30.9	Very low	123 Å²	123	141.3 Å²	141.3	75%	0.745	72%	0.715	S	S	*	*			trans	89.1	79.3	174.5	-158.5	0	0	0	0	114.9
884	Q	26.4	Very low	30.2	Very low	154 Å²	154	148.7 Å²	148.7	72%	0.72	75%	0.752	S	S	*	*				44.9	118.8	119.7	-76.2	172.2	-33.6	0	0	118
885	Q	26.3	Very low	29.4	Very low	167 Å²	167	153.2 Å²	153.2	78%	0.78	77%	0.767	S	S	*	*				55.2	98.8	126.4	-61.8	175.2	-8.7	0	0	116.4
886	Q	27.7	Very low	28.7	Very low	183 Å²	183	162.2 Å²	162.2	86%	0.855	81%	0.812	S	S	*	*				-174.9	109.9	99.7	-108.2	177.4	-25.7	0	0	109.9	S888	Q886-S888 PolarHBondContact O-N 3.35Å
887	I	24.5	Very low	28.1	Very low	168 Å²	168	156.4 Å²	156.4	86%	0.862	81%	0.805	S	S	*	*			trans	-56	121.8	151.5	-66.7	161.7	0	0	0	107.2
888	S	28	Very low	27.6	Very low	107 Å²	107	161.3 Å²	161.3	75%	0.748	82%	0.815	S	S	*	*			trans	-167.9	109.4	145.9	-86.5	0	0	0	0	112.1	Q886	Q886-S888 PolarHBondContact O-N 3.35Å
889	R	28.4	Very low	27.4	Very low	324 Å²	324	159.2 Å²	159.2	100%	1.223	81%	0.811	S	S	*	*			trans	86	0	166.5	-62.4	-171.6	177.3	179.7	0.6	118.4

Retrieved 889 of 889 residues in 1254 ms (Link to these results)

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