A0A096N2A5_PAPAN Loading...

Villin-1

AlphaFold DB , UniProt , Accession A0A096N2A5, Species PAPAN (Papio anubis, Olive baboon), Gene VIL1, Length 827 aa.

						>A0A096N2A5_PAPAN|A0A096N2A5|VIL1
MTKLSAQVKGSLNITTPGLQIWRIEAMQMVPVPSSTFGSFFDGDCYIILAIHKTASNLSYDIHYWIGQDSSLDEQGAAAIYTTQMDDFLKGRAVQHREVQGNESEAFRGYFKQGLVIRKGGVASGMNHVETNSYDVQRLLHVKGKRNVVAGEVEMSWKSFNRGDVFLLDLGKLIIQWNGPESNRMERLRGMTLAKEIRDQERGGRTYVGVVDGENESASPKLMEVMNHVLGKRGELKAAVPDTVVEPALKAALKLYHVSDAEGNLVVREVATRPLTQDLLSHDDCYILDQGGLKIYVWKGKKANEQEKKGAMSHALNFIKAKQYPPSTQVEVQNDGAESAVFQQLFQKWTASNRTSGLGKTHTVGSMAKVEQVKFDATSMHVKPQVAAQQKMVDDGSGEVQVWRIENLELVPVDSKWLGHFYGGDCYLLLYTYLIGNKQHYLLYIWQGSQASQDEITASAYQAVILDQKYNGEPVQIRVPMGKEPPHLMSIFKGRMVVYQGGTSRANNLEPAPSTRLFQVQGTGANNTKAFEVPARANFLNSNDVFVLKTQSCCYLWCGKGCSGDEREMAKMVADTISRTEKQVVVEGQEPANFWMALGGKAPYANTKRLQEENLVITPRLFECSNQTGRFLATEIPDFNQDDLEEDDVFLLDVWDQVFFWIGKHANEEEKKAAAITAQEYLKTHPSGRDPETPIIVVKQGYEPPTFTGWFLAWDPFKWSNAKSYEDLKVELGNSRDWSQITAEVTSSKVDVFNANSNLSSGPRPIFPLEQLVNKPVEELPEGVDPSRKEEHLSIEDFTQAFGMTPAAFSALPRWKQQNLKKEKGLF
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.9	Very low	55	Low	227 Å²	227	93.4 Å²	93.4	100%	1.118	54%	0.536	S	S	*	.				0	102.5	0	-82	-170.3	-105.1	0	0	108.3	K3	M1-K3 PolarHBondContact O-N 2.98Å
2	T	36.5	Very low	56.8	Low	120 Å²	120	87.3 Å²	87.3	74%	0.736	50%	0.5	S	S	*	.			trans	-68.8	121.4	-175.7	11.3	0	0	0	0	109.4
3	K	51.3	Low	58.5	Low	179 Å²	179	85.8 Å²	85.8	78%	0.778	49%	0.49	S	S	*	.			trans	-54.7	145.7	163.3	-70.7	174.6	176.2	175.5	0	107.9	M1 S5	M1-K3 PolarHBondContact O-N 2.98Å; K3-S5 PolarHBondContact O-N 3.44Å; K3-S5 VanDerWaalsContact O-N 3.14Å
4	L	57.9	Low	60.1	Low	15 Å²	15	82.9 Å²	82.9	8%	0.079	47%	0.471	C	S	.	.			trans	-37.9	124.5	165.2	-87.6	145.6	0	0	0	108.9	V8 K9 Q84 M85 F88	L4-V8 HydrophobicContact CD2-CB 3.88Å; L4-V8 HydrophobicContact CD2-CG1 3.28Å; L4-K9 HydrophobicContact CB-CG 3.98Å; L4-Q84 HydrophobicContact CD1-CB 4.07Å; L4-Q84 VanDerWaalsContact CD1-O 3.28Å; L4-Q84 WeakPolarHBondContact CD1-O 3.32Å; L4-Q84 HydrophobicContact CD2-CB 4.45Å; L4-Q84 HydrophobicContact CG-CB 3.95Å; L4-M85 HydrophobicContact CD2-CG 4.32Å; L4-F88 HydrophobicContact CD1-CB 3.69Å; L4-F88 HydrophobicContact CD1-CD2 4.49Å; L4-F88 HydrophobicContact CD1-CG 4.21Å
5	S	59.1	Low	61.3	Low	52 Å²	52	84.4 Å²	84.4	36%	0.364	48%	0.483	S	S	.	.			trans	-56.2	149.9	-176.4	76.7	0	0	0	0	109.3	K3 Q7 V8 K9	K3-S5 PolarHBondContact O-N 3.44Å; K3-S5 VanDerWaalsContact O-N 3.14Å; S5-Q7 PolarHBondContact O-N 3.47Å; S5-Q7 VanDerWaalsContact O-N 3.08Å; S5-V8 PolarHBondContact O-N 3.21Å; S5-V8 WeakPolarHBondContact OG-CG2 3.23Å; S5-V8 PolarHBondContact OG-N 3.35Å; S5-K9 PolarHBondContact O-N 3.26Å; S5-K9 VanDerWaalsContact O-N 3.11Å
6	A	58.7	Low	62.5	Low	90 Å²	90	83.8 Å²	83.8	74%	0.744	48%	0.481	S	S	*	.	H	α-helix	trans	-55.3	-30.4	179.5	0	0	0	0	0	112	G10	A6-G10 PolarHBondContact O-N 2.82Å; A6-G10 VanDerWaalsContact O-N 3.1Å
7	Q	54.6	Low	63.8	Low	134 Å²	134	82.6 Å²	82.6	63%	0.626	48%	0.478	S	S	*	.	H	α-helix	trans	-65.5	-40.8	175	-170.9	175.5	-0.7	0	0	112.9	S5 G10 S11	S5-Q7 PolarHBondContact O-N 3.47Å; S5-Q7 VanDerWaalsContact O-N 3.08Å; Q7-G10 PolarHBondContact O-N 3.36Å; Q7-S11 PolarHBondContact O-N 3.19Å; Q7-S11 PolarHBondContact O-OG 3.13Å
8	V	59.2	Low	65	Low	2 Å²	2	80.3 Å²	80.3	1%	0.012	47%	0.474	C	S	.	.	H	α-helix	trans	-71.9	-40	176.9	179.4	0	0	0	0	111.4	L4 S5 G10 S11 L12 M29	L4-V8 HydrophobicContact CD2-CB 3.88Å; L4-V8 HydrophobicContact CD2-CG1 3.28Å; S5-V8 PolarHBondContact O-N 3.21Å; S5-V8 WeakPolarHBondContact OG-CG2 3.23Å; S5-V8 PolarHBondContact OG-N 3.35Å; V8-G10 PolarHBondContact O-N 3.44Å; V8-S11 PolarHBondContact O-N 3.04Å; V8-S11 PolarHBondContact O-OG 3.33Å; V8-S11 VanDerWaalsContact O-OG 3.07Å; V8-L12 HydrophobicContact CG1-CD1 3.94Å; V8-L12 HydrophobicContact CG1-CG 4.33Å; V8-L12 WeakPolarHBondContact O-CG 3.37Å; V8-L12 PolarHBondContact O-N 3.22Å; V8-M29 HydrophobicContact CG1-CE 3.37Å; V8-M29 HydrophobicContact CG1-SD 3.65Å; V8-M29 HydrophobicContact CG2-CB 4.06Å; V8-M29 HydrophobicContact CG2-CE 4.48Å; V8-M29 HydrophobicContact CG2-CG 4.43Å; V8-M29 HydrophobicContact CG2-SD 4.05Å
9	K	64.3	Low	66.3	Low	96 Å²	96	78.4 Å²	78.4	42%	0.417	46%	0.462	S	S	.	.	H	α-helix	trans	-63.5	-31.6	175.8	-69.1	-173.8	-179.9	-174.7	0	113	L4 S5 F88	L4-K9 HydrophobicContact CB-CG 3.98Å; S5-K9 PolarHBondContact O-N 3.26Å; S5-K9 VanDerWaalsContact O-N 3.11Å; K9-F88 HydrophobicContact CG-CE2 4.5Å
10	G	61.7	Low	67.5	Low	71 Å²	71	76.1 Å²	76.1	73%	0.732	45%	0.446	S	S	*	.	H	α-helix	trans	-75.8	-22.9	176.9	0	0	0	0	0	114.1	A6 Q7 V8	A6-G10 PolarHBondContact O-N 2.82Å; A6-G10 VanDerWaalsContact O-N 3.1Å; Q7-G10 PolarHBondContact O-N 3.36Å; V8-G10 PolarHBondContact O-N 3.44Å
11	S	66.8	Low	68.8	Low	41 Å²	41	72.7 Å²	72.7	29%	0.287	43%	0.426	S	S	.	.	H	α-helix	trans	-93.6	-15.3	-179.4	62.3	0	0	0	0	114.2	Q7 V8 N13 Q20 W22	Q7-S11 PolarHBondContact O-N 3.19Å; Q7-S11 PolarHBondContact O-OG 3.13Å; V8-S11 PolarHBondContact O-N 3.04Å; V8-S11 PolarHBondContact O-OG 3.33Å; V8-S11 VanDerWaalsContact O-OG 3.07Å; S11-N13 PolarHBondContact O-N 3.29Å; S11-Q20 PolarHBondContact O-OE1 3.48Å; S11-W22 PolarHBondContact OG-NE1 3.45Å
12	L	76.4	Confident	71.5	Confident	20 Å²	20	62.1 Å²	62.1	11%	0.105	37%	0.373	C	S	.	.			trans	-79.9	104.6	179.2	-74.2	165.6	0	0	0	112	V8 I14 W22 L49 M85 F88	V8-L12 HydrophobicContact CG1-CD1 3.94Å; V8-L12 HydrophobicContact CG1-CG 4.33Å; V8-L12 WeakPolarHBondContact O-CG 3.37Å; V8-L12 PolarHBondContact O-N 3.22Å; L12-I14 HydrophobicContact CB-CG2 4.33Å; L12-I14 PolarHBondContact O-N 3.5Å; L12-W22 HydrophobicContact CD2-CH2 3.46Å; L12-W22 VanDerWaalsContact CD2-CH2 3.46Å; L12-W22 HydrophobicContact CD2-CZ2 3.65Å; L12-W22 HydrophobicContact CD2-CZ3 4.34Å; L12-W22 HydrophobicContact CG-CZ2 4.33Å; L12-L49 HydrophobicContact CD2-CD2 4.06Å; L12-M85 HydrophobicContact CD2-CE 3.66Å; L12-F88 HydrophobicContact CD1-CD1 4.23Å; L12-F88 HydrophobicContact CD1-CE1 4.3Å
13	N	79.7	Confident	74.2	Confident	69 Å²	69	56.4 Å²	56.4	37%	0.369	34%	0.339	S	S	.	.			trans	-89	101.1	165.9	-177.7	-5.1	0	0	0	110	S11 T15 T16 Q20 I51	S11-N13 PolarHBondContact O-N 3.29Å; N13-T15 PolarHBondContact OD1-N 3.3Å; N13-T15 VanDerWaalsContact OD1-N 3.07Å; N13-T15 PolarHBondContact OD1-OG1 3.33Å; N13-T16 WeakPolarHBondContact ND2-CB 3.46Å; N13-T16 PolarHBondContact ND2-OG1 3.17Å; N13-T16 PolarHBondContact OD1-N 3.02Å; N13-T16 PolarHBondContact OD1-OG1 3.18Å; N13-Q20 PolarHBondContact O-NE2 3.27Å; N13-I51 WeakPolarHBondContact O-CD1 3.44Å
14	I	80.4	Confident	76.1	Confident	45 Å²	45	47.9 Å²	47.9	23%	0.231	30%	0.301	C	S	.	.			trans	-94	2	-178.1	64.1	171.1	0	0	0	114	L12 Y60 F88 L89	L12-I14 HydrophobicContact CB-CG2 4.33Å; L12-I14 PolarHBondContact O-N 3.5Å; I14-Y60 HydrophobicContact CB-CE1 4.26Å; I14-Y60 PolarHBondContact O-OH 3.04Å; I14-Y60 VanDerWaalsContact O-OH 3.12Å; I14-F88 HydrophobicContact CD1-CE1 4.13Å; I14-F88 HydrophobicContact CG2-CE1 4.12Å; I14-L89 HydrophobicContact CB-CD2 4.16Å; I14-L89 HydrophobicContact CG2-CD2 3.72Å
15	T	78.3	Confident	77.4	Confident	105 Å²	105	49.5 Å²	49.5	64%	0.644	31%	0.309	S	S	*	.	S	Bend	trans	-106.5	-20.1	-171.7	57.6	0	0	0	0	113.9	N13	N13-T15 PolarHBondContact OD1-N 3.3Å; N13-T15 VanDerWaalsContact OD1-N 3.07Å; N13-T15 PolarHBondContact OD1-OG1 3.33Å
16	T	80.7	Confident	78.6	Confident	74 Å²	74	50.9 Å²	50.9	45%	0.454	32%	0.323	S	S	.	.	S	Bend	trans	-105.7	127.4	-177.3	-47.8	0	0	0	0	109.6	N13	N13-T16 WeakPolarHBondContact ND2-CB 3.46Å; N13-T16 PolarHBondContact ND2-OG1 3.17Å; N13-T16 PolarHBondContact OD1-N 3.02Å; N13-T16 PolarHBondContact OD1-OG1 3.18Å
17	P	84.2	Confident	79.7	Confident	65 Å²	65	51 Å²	51	42%	0.422	31%	0.309	S	S	.	.			trans	-57.7	140.9	170.8	-23.9	34.4	0	0	0	111.6	I51 K53 L58	P17-I51 VanDerWaalsContact CA-O 3.27Å; P17-I51 WeakPolarHBondContact CA-O 3.43Å; P17-K53 HydrophobicContact CB-CB 4.4Å; P17-K53 HydrophobicContact CG-CB 3.8Å; P17-K53 HydrophobicContact CG-CD 4.43Å; P17-L58 HydrophobicContact CG-CD2 4.01Å
18	G	84.9	Confident	81.1	Confident	41 Å²	41	50 Å²	50	42%	0.423	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	148.4	-175.9	-178.1	0	0	0	0	0	113.5	I51	G18-I51 PolarHBondContact N-O 2.63Å; G18-I51 PolarHBondContact O-N 2.96Å
19	L	89.9	Confident	82.4	Confident	44 Å²	44	50.3 Å²	50.3	23%	0.23	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	136.1	-178.9	-163.5	69	0	0	0	110.4	I21 F37 I48 A50 Y110 F111	L19-I21 HydrophobicContact CD2-CD1 3.95Å; L19-I21 HydrophobicContact CD2-CG1 4.29Å; L19-I21 HydrophobicContact CG-CD1 4.44Å; L19-I21 HydrophobicContact CG-CG1 4.22Å; L19-F37 HydrophobicContact CB-CE2 4.31Å; L19-F37 HydrophobicContact CD2-CD2 4.1Å; L19-F37 WeakPolarHBondContact O-CE2 3.43Å; L19-I48 HydrophobicContact CD1-CG2 3.4Å; L19-I48 VanDerWaalsContact CD1-CG2 3.4Å; L19-I48 HydrophobicContact CG-CG2 4.1Å; L19-A50 HydrophobicContact CD1-CB 3.95Å; L19-Y110 HydrophobicContact CD1-CD2 4.08Å; L19-Y110 HydrophobicContact CD1-CG 4.09Å; L19-F111 HydrophobicContact CD2-CE1 3.79Å; L19-F111 HydrophobicContact CD2-CZ 4.04Å
20	Q	91.7	Very high	83.6	Confident	31 Å²	31	48 Å²	48	15%	0.145	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	135.6	170.8	-70.5	162.7	81.9	0	0	109.3	S11 N13 W22 I48 L49	S11-Q20 PolarHBondContact O-OE1 3.48Å; N13-Q20 PolarHBondContact O-NE2 3.27Å; Q20-W22 HydrophobicContact CB-CE3 4.47Å; Q20-W22 HydrophobicContact CB-CH2 3.25Å; Q20-W22 HydrophobicContact CB-CZ2 3.91Å; Q20-W22 HydrophobicContact CB-CZ3 3.59Å; Q20-W22 HydrophobicContact CG-CH2 4.16Å; Q20-W22 WeakPolarHBondContact O-CZ3 3.31Å; Q20-I48 CarbonylContact O-C 3.55Å; Q20-I48 WeakPolarHBondContact O-CA 3.24Å; Q20-L49 PolarHBondContact N-O 2.73Å; Q20-L49 PolarHBondContact O-N 3.42Å
21	I	93	Very high	84.8	Confident	5 Å²	5	48 Å²	48	3%	0.026	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	137.3	-175.5	-52.7	-176.6	0	0	0	109.8	L19 V32 F37 F40 Y46 I47 I48 F111	L19-I21 HydrophobicContact CD2-CD1 3.95Å; L19-I21 HydrophobicContact CD2-CG1 4.29Å; L19-I21 HydrophobicContact CG-CD1 4.44Å; L19-I21 HydrophobicContact CG-CG1 4.22Å; I21-V32 HydrophobicContact CB-CB 4.19Å; I21-V32 HydrophobicContact CG2-CB 4.13Å; I21-V32 HydrophobicContact CG2-CG2 3.96Å; I21-V32 PolarHBondContact O-N 3.37Å; I21-F37 HydrophobicContact CB-CD1 4.18Å; I21-F37 HydrophobicContact CB-CE1 3.77Å; I21-F37 HydrophobicContact CB-CZ 4.18Å; I21-F37 HydrophobicContact CD1-CB 4.06Å; I21-F37 HydrophobicContact CD1-CD1 3.65Å; I21-F37 HydrophobicContact CD1-CD2 4.07Å; I21-F37 HydrophobicContact CD1-CE1 4.04Å; I21-F37 HydrophobicContact CD1-CE2 4.43Å; I21-F37 HydrophobicContact CD1-CG 3.67Å; I21-F37 HydrophobicContact CD1-CZ 4.42Å; I21-F37 HydrophobicContact CG1-CD1 4.03Å; I21-F37 HydrophobicContact CG1-CD2 4.4Å; I21-F37 HydrophobicContact CG1-CE1 3.87Å; I21-F37 HydrophobicContact CG1-CE2 4.26Å; I21-F37 HydrophobicContact CG1-CG 4.3Å; I21-F37 HydrophobicContact CG1-CZ 4Å; I21-F40 HydrophobicContact CD1-CZ 4.45Å; I21-F40 HydrophobicContact CG2-CE1 4.5Å; I21-Y46 HydrophobicContact CG2-CD1 4.1Å; I21-I47 CarbonylContact C-O 3.53Å; I21-I47 WeakPolarHBondContact CA-O 3.15Å; I21-I48 HydrophobicContact CD1-CG1 4.4Å; I21-I48 HydrophobicContact CG1-CG1 4.08Å; I21-I48 HydrophobicContact CG1-CG2 4.21Å; I21-I48 HydrophobicContact CG2-CG1 4.14Å; I21-F111 HydrophobicContact CD1-CE1 3.7Å; I21-F111 HydrophobicContact CD1-CZ 3.81Å
22	W	92.7	Very high	85.8	Confident	5 Å²	5	46.8 Å²	46.8	2%	0.019	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	143.7	172.9	-59.1	-99.5	0	0	0	110.4	S11 L12 Q20 M29 V30 P31 Y46 I47 L49 M85	S11-W22 PolarHBondContact OG-NE1 3.45Å; L12-W22 HydrophobicContact CD2-CH2 3.46Å; L12-W22 VanDerWaalsContact CD2-CH2 3.46Å; L12-W22 HydrophobicContact CD2-CZ2 3.65Å; L12-W22 HydrophobicContact CD2-CZ3 4.34Å; L12-W22 HydrophobicContact CG-CZ2 4.33Å; Q20-W22 HydrophobicContact CB-CE3 4.47Å; Q20-W22 HydrophobicContact CB-CH2 3.25Å; Q20-W22 HydrophobicContact CB-CZ2 3.91Å; Q20-W22 HydrophobicContact CB-CZ3 3.59Å; Q20-W22 HydrophobicContact CG-CH2 4.16Å; Q20-W22 WeakPolarHBondContact O-CZ3 3.31Å; W22-M29 HydrophobicContact CB-CE 4.21Å; W22-M29 HydrophobicContact CB-CG 3.42Å; W22-M29 VanDerWaalsContact CB-CG 3.42Å; W22-M29 HydrophobicContact CB-SD 4.49Å; W22-M29 HydrophobicContact CD2-CE 3.28Å; W22-M29 HydrophobicContact CD2-CG 4.41Å; W22-M29 HydrophobicContact CE3-CE 3.81Å; W22-M29 HydrophobicContact CG-CE 3.44Å; W22-M29 VanDerWaalsContact CG-CE 3.44Å; W22-M29 HydrophobicContact CG-CG 3.57Å; W22-M29 HydrophobicContact CG-SD 4.28Å; W22-M29 HydrophobicContact CH2-CE 4.39Å; W22-M29 HydrophobicContact CZ2-CE 3.94Å; W22-M29 HydrophobicContact CZ3-CE 4.33Å; W22-V30 CarbonylContact C-O 3.58Å; W22-V30 WeakPolarHBondContact CA-O 3.44Å; W22-V30 WeakPolarHBondContact CB-O 3.45Å; W22-P31 VanDerWaalsContact CD1-CA 3.48Å; W22-Y46 CarbonylContact O-C 3.59Å; W22-Y46 VanDerWaalsContact O-CA 3.25Å; W22-Y46 WeakPolarHBondContact O-CA 3.4Å; W22-I47 PolarHBondContact N-O 2.82Å; W22-I47 PolarHBondContact O-N 2.75Å; W22-L49 HydrophobicContact CH2-CB 4.13Å; W22-L49 HydrophobicContact CH2-CD2 4.39Å; W22-L49 HydrophobicContact CZ3-CB 3.73Å; W22-M85 HydrophobicContact CH2-CE 4.39Å; W22-M85 HydrophobicContact CZ3-CE 4.05Å
23	R	92.8	Very high	86	Confident	1 Å²	1	49.1 Å²	49.1	0%	0.004	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	142.8	171.8	-175.6	175.6	175.7	-147.2	9.2	109	E25 V30 V32 D44 Y46 M126	R23-E25 HydrophobicContact CB-CG 4.36Å; R23-E25 WeakPolarHBondContact CD-OE1 3.2Å; R23-E25 HydrophobicContact CG-CG 3.95Å; R23-E25 IonicContact CZ-OE1 2.65Å; R23-E25 IonicContact NE-OE1 2.91Å; R23-E25 IonicContact NH1-OE1 3.7Å; R23-E25 PolarHBondContact NH1-OE1 3.34Å; R23-V30 PolarHBondContact N-O 3.38Å; R23-V30 PolarHBondContact O-N 2.89Å; R23-V32 HydrophobicContact CB-CG2 3.94Å; R23-D44 IonicContact CZ-OD2 3.35Å; R23-D44 IonicContact NE-OD2 3.01Å; R23-D44 PolarHBondContact NE-OD2 2.75Å; R23-D44 IonicContact NH2-OD1 3.79Å; R23-D44 IonicContact NH2-OD2 2.77Å; R23-D44 PolarHBondContact NH2-OD2 3.22Å; R23-Y46 HydrophobicContact CB-CD1 3.94Å; R23-Y46 HydrophobicContact CB-CE1 3.8Å; R23-Y46 HydrophobicContact CG-CD1 4.28Å; R23-Y46 HydrophobicContact CG-CE1 3.87Å; R23-Y46 HydrophobicContact CG-CE2 4.49Å; R23-M126 PolarHBondContact NH1-O 3.22Å; R23-M126 PolarHBondContact NH2-O 3.33Å
24	I	90.9	Very high	86	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	112.3	172.2	-57.2	-54.9	0	0	0	108.3	Q28 M29 C45 I47 E74 A77 A78 Y81	I24-Q28 CarbonylContact C-O 3.52Å; I24-Q28 WeakPolarHBondContact CA-O 3.26Å; I24-M29 HydrophobicContact CD1-CB 4.4Å; I24-C45 HydrophobicContact CB-CB 4.38Å; I24-C45 HydrophobicContact CG1-CB 4.15Å; I24-C45 PolarHBondContact N-O 2.76Å; I24-I47 HydrophobicContact CD1-CD1 3.93Å; I24-I47 HydrophobicContact CD1-CG1 4.29Å; I24-E74 HydrophobicContact CG2-CB 4.29Å; I24-E74 HydrophobicContact CG2-CG 4.13Å; I24-A77 HydrophobicContact CG2-CB 4.07Å; I24-A78 HydrophobicContact CG1-CB 4.16Å; I24-Y81 HydrophobicContact CD1-CD2 3.8Å; I24-Y81 HydrophobicContact CD1-CE2 4.17Å
25	E	86.6	Confident	85.8	Confident	49 Å²	49	52.4 Å²	52.4	23%	0.229	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	118.7	177.7	-53.4	-170.4	162.6	0	0	109.2	R23 M27 Q28 V30 V122	R23-E25 HydrophobicContact CB-CG 4.36Å; R23-E25 WeakPolarHBondContact CD-OE1 3.2Å; R23-E25 HydrophobicContact CG-CG 3.95Å; R23-E25 IonicContact CZ-OE1 2.65Å; R23-E25 IonicContact NE-OE1 2.91Å; R23-E25 IonicContact NH1-OE1 3.7Å; R23-E25 PolarHBondContact NH1-OE1 3.34Å; E25-M27 VanDerWaalsContact C-N 3.26Å; E25-M27 PolarHBondContact O-N 2.78Å; E25-Q28 PolarHBondContact N-O 3.24Å; E25-Q28 WeakPolarHBondContact O-CB 3.23Å; E25-Q28 PolarHBondContact O-N 2.86Å; E25-V30 HydrophobicContact CB-CG2 3.93Å; E25-V30 HydrophobicContact CG-CB 4.22Å; E25-V30 HydrophobicContact CG-CG2 4.02Å; E25-V122 HydrophobicContact CB-CG2 4.04Å; E25-V122 HydrophobicContact CG-CG2 3.74Å
26	A	83.3	Confident	85.7	Confident	80 Å²	80	48.3 Å²	48.3	66%	0.661	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.5	46.7	-177.9	0	0	0	0	0	113	Q28	A26-Q28 PolarHBondContact O-N 3.13Å
27	M	81.9	Confident	86	Confident	92 Å²	92	47.9 Å²	47.9	45%	0.453	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.3	16.6	-177.6	-52.7	-67.9	-85.6	0	0	115	E25 D73 A77 Y81	E25-M27 VanDerWaalsContact C-N 3.26Å; E25-M27 PolarHBondContact O-N 2.78Å; M27-D73 HydrophobicContact CE-CB 4.16Å; M27-D73 WeakPolarHBondContact CE-O 3.46Å; M27-D73 VanDerWaalsContact SD-C 3.56Å; M27-D73 HydrophobicContact SD-CB 3.92Å; M27-D73 VanDerWaalsContact SD-O 3.35Å; M27-A77 HydrophobicContact CE-CB 3.78Å; M27-A77 HydrophobicContact SD-CB 3.7Å; M27-Y81 PolarHBondContact O-OH 3.07Å
28	Q	84.3	Confident	85.8	Confident	115 Å²	115	45 Å²	45	54%	0.537	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	148.8	174.8	-60.1	-167.7	0.4	0	0	111.6	I24 E25 A26	I24-Q28 CarbonylContact C-O 3.52Å; I24-Q28 WeakPolarHBondContact CA-O 3.26Å; E25-Q28 PolarHBondContact N-O 3.24Å; E25-Q28 WeakPolarHBondContact O-CB 3.23Å; E25-Q28 PolarHBondContact O-N 2.86Å; A26-Q28 PolarHBondContact O-N 3.13Å
29	M	86.5	Confident	85.8	Confident	8 Å²	8	43.7 Å²	43.7	4%	0.039	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	110	180	-178.2	179.7	142.9	0	0	110.2	V8 W22 I24 I47 Y81 M85	V8-M29 HydrophobicContact CG1-CE 3.37Å; V8-M29 HydrophobicContact CG1-SD 3.65Å; V8-M29 HydrophobicContact CG2-CB 4.06Å; V8-M29 HydrophobicContact CG2-CE 4.48Å; V8-M29 HydrophobicContact CG2-CG 4.43Å; V8-M29 HydrophobicContact CG2-SD 4.05Å; W22-M29 HydrophobicContact CB-CE 4.21Å; W22-M29 HydrophobicContact CB-CG 3.42Å; W22-M29 VanDerWaalsContact CB-CG 3.42Å; W22-M29 HydrophobicContact CB-SD 4.49Å; W22-M29 HydrophobicContact CD2-CE 3.28Å; W22-M29 HydrophobicContact CD2-CG 4.41Å; W22-M29 HydrophobicContact CE3-CE 3.81Å; W22-M29 HydrophobicContact CG-CE 3.44Å; W22-M29 VanDerWaalsContact CG-CE 3.44Å; W22-M29 HydrophobicContact CG-CG 3.57Å; W22-M29 HydrophobicContact CG-SD 4.28Å; W22-M29 HydrophobicContact CH2-CE 4.39Å; W22-M29 HydrophobicContact CZ2-CE 3.94Å; W22-M29 HydrophobicContact CZ3-CE 4.33Å; I24-M29 HydrophobicContact CD1-CB 4.4Å; M29-I47 HydrophobicContact SD-CD1 4.32Å; M29-Y81 HydrophobicContact CB-CD2 4.37Å; M29-Y81 HydrophobicContact CB-CE1 4.33Å; M29-Y81 HydrophobicContact CB-CE2 4.13Å; M29-Y81 HydrophobicContact SD-CD1 4.26Å; M29-Y81 HydrophobicContact SD-CG 4.4Å; M29-M85 HydrophobicContact CE-SD 3.85Å; M29-M85 HydrophobicContact SD-SD 4.13Å
30	V	88.3	Confident	85.8	Confident	46 Å²	46	41.7 Å²	41.7	28%	0.279	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	125.6	-175.2	-177.7	0	0	0	0	110.2	W22 R23 E25 V32	W22-V30 CarbonylContact C-O 3.58Å; W22-V30 WeakPolarHBondContact CA-O 3.44Å; W22-V30 WeakPolarHBondContact CB-O 3.45Å; R23-V30 PolarHBondContact N-O 3.38Å; R23-V30 PolarHBondContact O-N 2.89Å; E25-V30 HydrophobicContact CB-CG2 3.93Å; E25-V30 HydrophobicContact CG-CB 4.22Å; E25-V30 HydrophobicContact CG-CG2 4.02Å; V30-V32 PolarHBondContact O-N 2.89Å
31	P	88.1	Confident	85.7	Confident	72 Å²	72	40.8 Å²	40.8	47%	0.468	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	135.3	-179.9	-20.9	31.3	0	0	0	112.7	W22	W22-P31 VanDerWaalsContact CD1-CA 3.48Å
32	V	86.9	Confident	85.5	Confident	16 Å²	16	40.7 Å²	40.7	10%	0.097	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-87.4	136.8	174.8	175.2	0	0	0	0	109.5	I21 R23 V30 T36 F37 Y46	I21-V32 HydrophobicContact CB-CB 4.19Å; I21-V32 HydrophobicContact CG2-CB 4.13Å; I21-V32 HydrophobicContact CG2-CG2 3.96Å; I21-V32 PolarHBondContact O-N 3.37Å; R23-V32 HydrophobicContact CB-CG2 3.94Å; V30-V32 PolarHBondContact O-N 2.89Å; V32-T36 WeakPolarHBondContact CG1-OG1 3.45Å; V32-F37 HydrophobicContact CB-CE1 4.26Å; V32-F37 HydrophobicContact CG1-CD1 4.11Å; V32-F37 HydrophobicContact CG1-CE1 4.22Å; V32-F37 WeakPolarHBondContact O-CE1 3.25Å; V32-Y46 HydrophobicContact CG2-CD1 4.29Å; V32-Y46 HydrophobicContact CG2-CE1 4.17Å
33	P	81.4	Confident	85.4	Confident	69 Å²	69	41 Å²	41	45%	0.448	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-59	139	172.7	-23.9	34	0	0	0	112.2	S35 T36 F37	P33-S35 PolarHBondContact O-N 3.43Å; P33-T36 PolarHBondContact O-N 3.1Å; P33-T36 PolarHBondContact O-OG1 3.44Å; P33-F37 WeakPolarHBondContact O-CD1 3.35Å
34	S	80.4	Confident	85.3	Confident	99 Å²	99	41 Å²	41	69%	0.692	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-62.3	-27.4	-178.5	54.8	0	0	0	0	113.8	T36 F37	S34-T36 PolarHBondContact O-N 2.94Å; S34-F37 PolarHBondContact O-N 2.96Å
35	S	74.8	Confident	85.5	Confident	84 Å²	84	41 Å²	41	59%	0.587	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-66.5	-16.8	175.6	56.8	0	0	0	0	113.8	P33	P33-S35 PolarHBondContact O-N 3.43Å
36	T	77.4	Confident	85.9	Confident	18 Å²	18	38.7 Å²	38.7	11%	0.11	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-109.4	7.8	-177.6	48	0	0	0	0	113.1	V32 P33 S34 G38 S39 H128 V129	V32-T36 WeakPolarHBondContact CG1-OG1 3.45Å; P33-T36 PolarHBondContact O-N 3.1Å; P33-T36 PolarHBondContact O-OG1 3.44Å; S34-T36 PolarHBondContact O-N 2.94Å; T36-G38 PolarHBondContact O-N 2.84Å; T36-S39 PolarHBondContact O-N 3.3Å; T36-H128 PolarHBondContact OG1-CD2 3.36Å; T36-V129 HydrophobicContact CG2-CG2 3.53Å
37	F	85.9	Confident	86.5	Confident	66 Å²	66	34.9 Å²	34.9	29%	0.289	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	133.9	176.4	-76	7	0	0	0	110.6	L19 I21 V32 P33 S34	L19-F37 HydrophobicContact CB-CE2 4.31Å; L19-F37 HydrophobicContact CD2-CD2 4.1Å; L19-F37 WeakPolarHBondContact O-CE2 3.43Å; I21-F37 HydrophobicContact CB-CD1 4.18Å; I21-F37 HydrophobicContact CB-CE1 3.77Å; I21-F37 HydrophobicContact CB-CZ 4.18Å; I21-F37 HydrophobicContact CD1-CB 4.06Å; I21-F37 HydrophobicContact CD1-CD1 3.65Å; I21-F37 HydrophobicContact CD1-CD2 4.07Å; I21-F37 HydrophobicContact CD1-CE1 4.04Å; I21-F37 HydrophobicContact CD1-CE2 4.43Å; I21-F37 HydrophobicContact CD1-CG 3.67Å; I21-F37 HydrophobicContact CD1-CZ 4.42Å; I21-F37 HydrophobicContact CG1-CD1 4.03Å; I21-F37 HydrophobicContact CG1-CD2 4.4Å; I21-F37 HydrophobicContact CG1-CE1 3.87Å; I21-F37 HydrophobicContact CG1-CE2 4.26Å; I21-F37 HydrophobicContact CG1-CG 4.3Å; I21-F37 HydrophobicContact CG1-CZ 4Å; V32-F37 HydrophobicContact CB-CE1 4.26Å; V32-F37 HydrophobicContact CG1-CD1 4.11Å; V32-F37 HydrophobicContact CG1-CE1 4.22Å; V32-F37 WeakPolarHBondContact O-CE1 3.25Å; P33-F37 WeakPolarHBondContact O-CD1 3.35Å; S34-F37 PolarHBondContact O-N 2.96Å
38	G	80.8	Confident	87.1	Confident	5 Å²	5	30.5 Å²	30.5	5%	0.052	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.3	-10.2	-173.2	0	0	0	0	0	113.9	T36 L115 V116	T36-G38 PolarHBondContact O-N 2.84Å; G38-L115 CarbonylContact O-C 3.34Å; G38-L115 WeakPolarHBondContact O-CA 3.38Å; G38-V116 PolarHBondContact O-N 2.99Å
39	S	85.2	Confident	87.5	Confident	13 Å²	13	25 Å²	25	9%	0.091	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	124.4	173.4	-160.4	0	0	0	0	112.3	T36 V116 R118	T36-S39 PolarHBondContact O-N 3.3Å; S39-V116 CarbonylContact C-O 3.17Å; S39-V116 VanDerWaalsContact CA-O 3.3Å; S39-V116 WeakPolarHBondContact CA-O 3.43Å; S39-V116 PolarHBondContact OG-O 2.68Å; S39-R118 PolarHBondContact OG-NE 2.91Å
40	F	89.6	Confident	87.6	Confident	1 Å²	1	24.8 Å²	24.8	0%	0.004	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	144.7	-176.2	-61.9	-87.7	0	0	0	110.6	I21 Y46 I48 W65 F107 F111 L115 V116 I117 R118	I21-F40 HydrophobicContact CD1-CZ 4.45Å; I21-F40 HydrophobicContact CG2-CE1 4.5Å; F40-Y46 HydrophobicContact CB-CE2 4.13Å; F40-Y46 AromaticContact CD1-CD1 3.76Å; F40-Y46 HydrophobicContact CD1-CD1 3.76Å; F40-Y46 AromaticContact CD1-CD2 3.61Å; F40-Y46 HydrophobicContact CD1-CD2 3.61Å; F40-Y46 AromaticContact CD1-CE1 3.94Å; F40-Y46 HydrophobicContact CD1-CE1 3.94Å; F40-Y46 AromaticContact CD1-CE2 3.83Å; F40-Y46 HydrophobicContact CD1-CE2 3.83Å; F40-Y46 AromaticContact CD1-CG 3.56Å; F40-Y46 HydrophobicContact CD1-CG 3.56Å; F40-Y46 AromaticContact CD1-CZ 3.96Å; F40-Y46 AromaticContact CE1-CD1 3.93Å; F40-Y46 HydrophobicContact CE1-CD1 3.93Å; F40-Y46 HydrophobicContact CE1-CD2 4.35Å; F40-Y46 HydrophobicContact CE1-CE1 4.43Å; F40-Y46 AromaticContact CE1-CG 3.85Å; F40-Y46 HydrophobicContact CE1-CG 3.85Å; F40-Y46 HydrophobicContact CG-CE2 4.49Å; F40-I48 HydrophobicContact CE1-CD1 4.27Å; F40-W65 HydrophobicContact CB-CE3 4.36Å; F40-W65 HydrophobicContact CB-CH2 3.87Å; F40-W65 HydrophobicContact CB-CZ2 4.25Å; F40-W65 HydrophobicContact CB-CZ3 3.94Å; F40-W65 HydrophobicContact CD1-CD2 4.39Å; F40-W65 HydrophobicContact CD1-CE3 4.22Å; F40-F107 HydrophobicContact CE1-CZ 4.35Å; F40-F107 HydrophobicContact CE2-CZ 4.27Å; F40-F107 AromaticContact CZ-CZ 3.86Å; F40-F107 HydrophobicContact CZ-CZ 3.86Å; F40-F111 HydrophobicContact CE2-CE1 4.26Å; F40-F111 HydrophobicContact CE2-CE2 4.17Å; F40-F111 AromaticContact CE2-CZ 3.94Å; F40-F111 HydrophobicContact CE2-CZ 3.94Å; F40-F111 HydrophobicContact CZ-CE1 4.17Å; F40-F111 HydrophobicContact CZ-CE2 4.08Å; F40-F111 AromaticContact CZ-CZ 3.61Å; F40-F111 HydrophobicContact CZ-CZ 3.61Å; F40-L115 HydrophobicContact CD2-CD2 3.9Å; F40-L115 HydrophobicContact CE2-CD2 3.48Å; F40-L115 VanDerWaalsContact CE2-CD2 3.48Å; F40-V116 PolarHBondContact N-O 3.03Å; F40-I117 HydrophobicContact CB-CD1 3.97Å; F40-I117 CarbonylContact O-C 3.52Å; F40-I117 WeakPolarHBondContact O-CA 3.16Å; F40-R118 PolarHBondContact O-N 2.83Å
41	F	89.4	Confident	87.6	Confident	12 Å²	12	22.9 Å²	22.9	5%	0.053	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	131.5	171.4	-79.9	-71.1	0	0	0	109.8	G43 D44 Y46 W65 R118 G120 M126 H128	F41-G43 PolarHBondContact O-N 2.97Å; F41-D44 HydrophobicContact CB-CB 4.29Å; F41-D44 VanDerWaalsContact CB-OD2 3.25Å; F41-D44 WeakPolarHBondContact CB-OD2 3.23Å; F41-D44 PolarHBondContact O-N 2.9Å; F41-Y46 WeakPolarHBondContact CD2-OH 3.47Å; F41-Y46 PolarHBondContact N-OH 3.14Å; F41-W65 WeakPolarHBondContact O-CZ3 3.43Å; F41-R118 WeakPolarHBondContact CA-O 3.45Å; F41-R118 HydrophobicContact CD1-CB 3.59Å; F41-R118 HydrophobicContact CE1-CB 3.62Å; F41-R118 HydrophobicContact CE1-CG 4.41Å; F41-R118 HydrophobicContact CG-CB 4.4Å; F41-R118 HydrophobicContact CZ-CB 4.44Å; F41-G120 WeakPolarHBondContact CB-O 3.43Å; F41-M126 HydrophobicContact CE1-CB 4.15Å; F41-M126 HydrophobicContact CE1-SD 4.11Å; F41-M126 HydrophobicContact CZ-CB 4.17Å; F41-H128 AromaticContact CD2-CE1 3.83Å; F41-H128 AromaticContact CE2-CE1 3.81Å; F41-H128 AromaticContact CE2-ND1 3.67Å
42	D	89.1	Confident	87.1	Confident	4 Å²	4	21.8 Å²	21.8	2%	0.021	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-18.4	-179.1	65.5	-6.9	0	0	0	114.2	D44 G67 Q68 D69 S70 I117 R118 K119 G120	D42-D44 VanDerWaalsContact C-N 3.33Å; D42-G67 CarbonylContact O-C 3.5Å; D42-G67 WeakPolarHBondContact O-CA 3.41Å; D42-Q68 PolarHBondContact O-N 3.01Å; D42-Q68 VanDerWaalsContact O-N 3.11Å; D42-D69 CarbonylContact O-C 3.56Å; D42-D69 WeakPolarHBondContact O-CA 3.48Å; D42-D69 PolarHBondContact O-N 2.81Å; D42-S70 PolarHBondContact O-N 2.85Å; D42-I117 HydrophobicContact CB-CG2 3.94Å; D42-R118 PolarHBondContact N-O 2.93Å; D42-K119 WeakPolarHBondContact OD1-CA 3.43Å; D42-K119 WeakPolarHBondContact OD2-CD 3.48Å; D42-K119 WeakPolarHBondContact OD2-CE 3.37Å; D42-K119 IonicContact OD2-NZ 3.45Å; D42-K119 PolarHBondContact OD2-NZ 2.85Å; D42-G120 PolarHBondContact OD1-N 3.33Å
43	G	89.4	Confident	86.4	Confident	11 Å²	11	29.3 Å²	29.3	11%	0.113	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	0.4	173.7	0	0	0	0	0	115	F41 S70 G120	F41-G43 PolarHBondContact O-N 2.97Å; G43-S70 WeakPolarHBondContact O-CA 3.38Å; G43-G120 VanDerWaalsContact CA-O 3.26Å; G43-G120 WeakPolarHBondContact CA-O 3.34Å; G43-G120 PolarHBondContact N-O 3.04Å
44	D	92.3	Very high	85.2	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.166	C	C	.	.	S	Bend	trans	-127	171.5	-172	-59.6	-35.8	0	0	0	113.9	R23 F41 D42 Y46 G67 G121 V122	R23-D44 IonicContact CZ-OD2 3.35Å; R23-D44 IonicContact NE-OD2 3.01Å; R23-D44 PolarHBondContact NE-OD2 2.75Å; R23-D44 IonicContact NH2-OD1 3.79Å; R23-D44 IonicContact NH2-OD2 2.77Å; R23-D44 PolarHBondContact NH2-OD2 3.22Å; F41-D44 HydrophobicContact CB-CB 4.29Å; F41-D44 VanDerWaalsContact CB-OD2 3.25Å; F41-D44 WeakPolarHBondContact CB-OD2 3.23Å; F41-D44 PolarHBondContact O-N 2.9Å; D42-D44 VanDerWaalsContact C-N 3.33Å; D44-Y46 HydrophobicContact CB-CD2 4.45Å; D44-Y46 HydrophobicContact CB-CE2 3.85Å; D44-G67 WeakPolarHBondContact O-CA 3.47Å; D44-G67 PolarHBondContact O-N 3.27Å; D44-G121 VanDerWaalsContact OD1-CA 3.23Å; D44-G121 WeakPolarHBondContact OD1-CA 3.41Å; D44-G121 VanDerWaalsContact OD2-CA 3.26Å; D44-G121 WeakPolarHBondContact OD2-CA 3.43Å; D44-V122 WeakPolarHBondContact OD1-CG2 3.32Å; D44-V122 PolarHBondContact OD1-N 3.03Å
45	C	94.1	Very high	83.8	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	147.1	169.8	-67.4	0	0	0	0	111.2	I24 W65 E74 Q75 A78	I24-C45 HydrophobicContact CB-CB 4.38Å; I24-C45 HydrophobicContact CG1-CB 4.15Å; I24-C45 PolarHBondContact N-O 2.76Å; C45-W65 WeakPolarHBondContact CA-O 3.46Å; C45-E74 HydrophobicContact CB-CB 4.35Å; C45-Q75 VanDerWaalsContact SG-CG 3.59Å; C45-A78 HydrophobicContact CB-CB 3.91Å
46	Y	94.9	Very high	82.7	Confident	1 Å²	1	29.2 Å²	29.2	0%	0.004	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	153.1	-178.8	-67.1	-107.1	0	0	0	111.1	I21 W22 R23 V32 F40 F41 D44 Y64 W65 H128	I21-Y46 HydrophobicContact CG2-CD1 4.1Å; W22-Y46 CarbonylContact O-C 3.59Å; W22-Y46 VanDerWaalsContact O-CA 3.25Å; W22-Y46 WeakPolarHBondContact O-CA 3.4Å; R23-Y46 HydrophobicContact CB-CD1 3.94Å; R23-Y46 HydrophobicContact CB-CE1 3.8Å; R23-Y46 HydrophobicContact CG-CD1 4.28Å; R23-Y46 HydrophobicContact CG-CE1 3.87Å; R23-Y46 HydrophobicContact CG-CE2 4.49Å; V32-Y46 HydrophobicContact CG2-CD1 4.29Å; V32-Y46 HydrophobicContact CG2-CE1 4.17Å; F40-Y46 HydrophobicContact CB-CE2 4.13Å; F40-Y46 AromaticContact CD1-CD1 3.76Å; F40-Y46 HydrophobicContact CD1-CD1 3.76Å; F40-Y46 AromaticContact CD1-CD2 3.61Å; F40-Y46 HydrophobicContact CD1-CD2 3.61Å; F40-Y46 AromaticContact CD1-CE1 3.94Å; F40-Y46 HydrophobicContact CD1-CE1 3.94Å; F40-Y46 AromaticContact CD1-CE2 3.83Å; F40-Y46 HydrophobicContact CD1-CE2 3.83Å; F40-Y46 AromaticContact CD1-CG 3.56Å; F40-Y46 HydrophobicContact CD1-CG 3.56Å; F40-Y46 AromaticContact CD1-CZ 3.96Å; F40-Y46 AromaticContact CE1-CD1 3.93Å; F40-Y46 HydrophobicContact CE1-CD1 3.93Å; F40-Y46 HydrophobicContact CE1-CD2 4.35Å; F40-Y46 HydrophobicContact CE1-CE1 4.43Å; F40-Y46 AromaticContact CE1-CG 3.85Å; F40-Y46 HydrophobicContact CE1-CG 3.85Å; F40-Y46 HydrophobicContact CG-CE2 4.49Å; F41-Y46 WeakPolarHBondContact CD2-OH 3.47Å; F41-Y46 PolarHBondContact N-OH 3.14Å; D44-Y46 HydrophobicContact CB-CD2 4.45Å; D44-Y46 HydrophobicContact CB-CE2 3.85Å; Y46-Y64 CarbonylContact O-C 3.55Å; Y46-Y64 WeakPolarHBondContact O-CA 3.32Å; Y46-W65 AromaticContact CD2-CE3 3.78Å; Y46-W65 HydrophobicContact CD2-CE3 3.78Å; Y46-W65 HydrophobicContact CD2-CZ3 4.07Å; Y46-W65 HydrophobicContact CE2-CE3 4.37Å; Y46-W65 HydrophobicContact CE2-CZ3 4.2Å; Y46-W65 PolarHBondContact N-O 2.85Å; Y46-W65 PolarHBondContact O-N 2.79Å; Y46-H128 PolarHBondContact OH-CE1 3.27Å
47	I	94.9	Very high	82.3	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	131.4	171.5	-57.9	176.8	0	0	0	108	I21 W22 I24 M29 I62 H63 A78 Y81 M85	I21-I47 CarbonylContact C-O 3.53Å; I21-I47 WeakPolarHBondContact CA-O 3.15Å; W22-I47 PolarHBondContact N-O 2.82Å; W22-I47 PolarHBondContact O-N 2.75Å; I24-I47 HydrophobicContact CD1-CD1 3.93Å; I24-I47 HydrophobicContact CD1-CG1 4.29Å; M29-I47 HydrophobicContact SD-CD1 4.32Å; I47-I62 HydrophobicContact CG2-CG2 4.08Å; I47-H63 CarbonylContact C-O 3.51Å; I47-H63 WeakPolarHBondContact CA-O 3.45Å; I47-A78 HydrophobicContact CG1-CB 4.5Å; I47-Y81 HydrophobicContact CD1-CD2 4.28Å; I47-Y81 HydrophobicContact CD1-CG 4.07Å; I47-M85 HydrophobicContact CG2-CE 4.28Å; I47-M85 HydrophobicContact CG2-SD 3.77Å
48	I	94.6	Very high	81.9	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	129.4	-177.8	-58.2	76.5	0	0	0	107.4	L19 Q20 I21 F40 I62 H63 W65 F107	L19-I48 HydrophobicContact CD1-CG2 3.4Å; L19-I48 VanDerWaalsContact CD1-CG2 3.4Å; L19-I48 HydrophobicContact CG-CG2 4.1Å; Q20-I48 CarbonylContact O-C 3.55Å; Q20-I48 WeakPolarHBondContact O-CA 3.24Å; I21-I48 HydrophobicContact CD1-CG1 4.4Å; I21-I48 HydrophobicContact CG1-CG1 4.08Å; I21-I48 HydrophobicContact CG1-CG2 4.21Å; I21-I48 HydrophobicContact CG2-CG1 4.14Å; F40-I48 HydrophobicContact CE1-CD1 4.27Å; I48-I62 CarbonylContact O-C 3.48Å; I48-I62 WeakPolarHBondContact O-CA 2.96Å; I48-H63 HydrophobicContact CB-CB 4.19Å; I48-H63 PolarHBondContact N-O 2.82Å; I48-H63 PolarHBondContact O-N 3.34Å; I48-W65 HydrophobicContact CD1-CB 4.17Å; I48-F107 HydrophobicContact CB-CE2 4.46Å; I48-F107 HydrophobicContact CD1-CE2 3.63Å; I48-F107 HydrophobicContact CD1-CZ 4.23Å; I48-F107 HydrophobicContact CG1-CE2 3.83Å
49	L	92.9	Very high	81.9	Confident	1 Å²	1	34.8 Å²	34.8	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	113.5	171.1	176.9	67	0	0	0	108.6	L12 Q20 W22 I51 Y60 D61 I62 M85 L89	L12-L49 HydrophobicContact CD2-CD2 4.06Å; Q20-L49 PolarHBondContact N-O 2.73Å; Q20-L49 PolarHBondContact O-N 3.42Å; W22-L49 HydrophobicContact CH2-CB 4.13Å; W22-L49 HydrophobicContact CH2-CD2 4.39Å; W22-L49 HydrophobicContact CZ3-CB 3.73Å; L49-I51 HydrophobicContact CD2-CD1 4.09Å; L49-I51 HydrophobicContact CD2-CG1 4.26Å; L49-I51 HydrophobicContact CG-CD1 4.37Å; L49-I51 HydrophobicContact CG-CG1 4Å; L49-Y60 HydrophobicContact CD1-CD1 4.39Å; L49-D61 WeakPolarHBondContact CA-O 3.34Å; L49-I62 HydrophobicContact CD1-CG1 3.75Å; L49-M85 HydrophobicContact CB-CE 4.04Å; L49-M85 HydrophobicContact CD2-CE 4.18Å; L49-M85 HydrophobicContact CG-CE 4.49Å; L49-L89 HydrophobicContact CD1-CD1 4.11Å
50	A	90.1	Very high	82	Confident	3 Å²	3	34.7 Å²	34.7	3%	0.025	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	130.4	170	0	0	0	0	0	109.6	L19 Y60 D61 Y110	L19-A50 HydrophobicContact CD1-CB 3.95Å; A50-Y60 WeakPolarHBondContact O-CA 3.14Å; A50-D61 HydrophobicContact CB-CB 4.31Å; A50-D61 PolarHBondContact N-O 3.18Å; A50-D61 PolarHBondContact O-N 3.22Å; A50-Y110 HydrophobicContact CB-CD1 4.48Å; A50-Y110 HydrophobicContact CB-CE1 3.9Å; A50-Y110 HydrophobicContact CB-CE2 3.94Å
51	I	87.8	Confident	82.1	Confident	6 Å²	6	35.8 Å²	35.8	3%	0.031	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	113.2	-179.9	-52.5	-179.5	0	0	0	108.4	N13 P17 G18 L49 L58 Y60	N13-I51 WeakPolarHBondContact O-CD1 3.44Å; P17-I51 VanDerWaalsContact CA-O 3.27Å; P17-I51 WeakPolarHBondContact CA-O 3.43Å; G18-I51 PolarHBondContact N-O 2.63Å; G18-I51 PolarHBondContact O-N 2.96Å; L49-I51 HydrophobicContact CD2-CD1 4.09Å; L49-I51 HydrophobicContact CD2-CG1 4.26Å; L49-I51 HydrophobicContact CG-CD1 4.37Å; L49-I51 HydrophobicContact CG-CG1 4Å; I51-L58 HydrophobicContact CG2-CB 4.29Å; I51-L58 HydrophobicContact CG2-CD1 4.28Å; I51-L58 HydrophobicContact CG2-CD2 4.14Å; I51-L58 HydrophobicContact CG2-CG 4.47Å; I51-Y60 HydrophobicContact CD1-CD1 4.31Å; I51-Y60 HydrophobicContact CD1-CE1 4.18Å; I51-Y60 HydrophobicContact CG1-CD1 3.94Å; I51-Y60 HydrophobicContact CG1-CE1 4.23Å; I51-Y60 HydrophobicContact CG2-CD1 4.21Å; I51-Y60 HydrophobicContact CG2-CE1 4Å
52	H	77.8	Confident	82.3	Confident	49 Å²	49	35.2 Å²	35.2	23%	0.227	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	142	-179.6	-53.5	-96	0	0	0	110.4	L58 S59 D61 Y110 D638	H52-L58 WeakPolarHBondContact O-CA 3.46Å; H52-S59 WeakPolarHBondContact CB-OG 3.49Å; H52-S59 PolarHBondContact N-O 2.99Å; H52-S59 PolarHBondContact O-N 3.09Å; H52-D61 IonicContact CD2-OD2 2.71Å; H52-D61 PolarHBondContact CD2-OD2 2.79Å; H52-D61 IonicContact NE2-OD2 3.3Å; H52-Y110 AromaticContact CE1-CE1 3.83Å; H52-Y110 AromaticContact NE2-CE1 3.89Å; H52-D638 IonicContact CE1-OD2 3.68Å; H52-D638 PolarHBondContact CE1-OD2 3.43Å; H52-D638 VanDerWaalsContact CE1-OD2 3.31Å
53	K	72.2	Confident	82.6	Confident	173 Å²	173	35 Å²	35	75%	0.752	21%	0.206	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-92.9	108.2	173.5	-170.5	177.9	179.9	-177.6	0	109.6	P17 L58	P17-K53 HydrophobicContact CB-CB 4.4Å; P17-K53 HydrophobicContact CG-CB 3.8Å; P17-K53 HydrophobicContact CG-CD 4.43Å; K53-L58 HydrophobicContact CB-CD2 4.3Å; K53-L58 HydrophobicContact CG-CD2 4.43Å
54	T	56.4	Low	82.8	Confident	69 Å²	69	34.7 Å²	34.7	42%	0.423	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	159	167	-6.6	0	0	0	0	109.7	S56 N57	T54-S56 PolarHBondContact O-N 2.83Å; T54-N57 CarbonylContact C-O 3.5Å; T54-N57 WeakPolarHBondContact CA-O 3.5Å; T54-N57 PolarHBondContact N-O 2.84Å; T54-N57 PolarHBondContact O-N 3.16Å; T54-N57 PolarHBondContact OG1-O 2.99Å
55	A	50.3	Low	83	Confident	108 Å²	108	34.7 Å²	34.7	89%	0.893	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-45.9	-28.1	-170.2	0	0	0	0	0	116.3
56	S	51.9	Low	83	Confident	74 Å²	74	35.2 Å²	35.2	52%	0.517	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-131.6	-6.2	176.8	72.5	0	0	0	0	115.6	T54 R354	T54-S56 PolarHBondContact O-N 2.83Å; S56-R354 PolarHBondContact OG-NH2 3.42Å
57	N	68.2	Low	82.8	Confident	111 Å²	111	35.2 Å²	35.2	59%	0.594	20%	0.204	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-146.1	166.4	-169.7	-76.7	-25	0	0	0	111.2	T54	T54-N57 CarbonylContact C-O 3.5Å; T54-N57 WeakPolarHBondContact CA-O 3.5Å; T54-N57 PolarHBondContact N-O 2.84Å; T54-N57 PolarHBondContact O-N 3.16Å; T54-N57 PolarHBondContact OG1-O 2.99Å
58	L	77.8	Confident	82.5	Confident	50 Å²	50	41.3 Å²	41.3	26%	0.262	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	134.3	167.1	-63	174.8	0	0	0	109.2	P17 I51 H52 K53 Y60	P17-L58 HydrophobicContact CG-CD2 4.01Å; I51-L58 HydrophobicContact CG2-CB 4.29Å; I51-L58 HydrophobicContact CG2-CD1 4.28Å; I51-L58 HydrophobicContact CG2-CD2 4.14Å; I51-L58 HydrophobicContact CG2-CG 4.47Å; H52-L58 WeakPolarHBondContact O-CA 3.46Å; K53-L58 HydrophobicContact CB-CD2 4.3Å; K53-L58 HydrophobicContact CG-CD2 4.43Å; L58-Y60 HydrophobicContact CB-CE2 3.98Å; L58-Y60 WeakPolarHBondContact O-CE2 3.49Å
59	S	81	Confident	82.2	Confident	45 Å²	45	45.9 Å²	45.9	32%	0.315	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	154	165.5	57.9	0	0	0	0	109.9	H52	H52-S59 WeakPolarHBondContact CB-OG 3.49Å; H52-S59 PolarHBondContact N-O 2.99Å; H52-S59 PolarHBondContact O-N 3.09Å
60	Y	88	Confident	82.1	Confident	11 Å²	11	46.5 Å²	46.5	4%	0.043	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	132.7	-172.1	-55	-93.7	0	0	0	109.5	I14 L49 A50 I51 L58 L89 R92 A93 V94	I14-Y60 HydrophobicContact CB-CE1 4.26Å; I14-Y60 PolarHBondContact O-OH 3.04Å; I14-Y60 VanDerWaalsContact O-OH 3.12Å; L49-Y60 HydrophobicContact CD1-CD1 4.39Å; A50-Y60 WeakPolarHBondContact O-CA 3.14Å; I51-Y60 HydrophobicContact CD1-CD1 4.31Å; I51-Y60 HydrophobicContact CD1-CE1 4.18Å; I51-Y60 HydrophobicContact CG1-CD1 3.94Å; I51-Y60 HydrophobicContact CG1-CE1 4.23Å; I51-Y60 HydrophobicContact CG2-CD1 4.21Å; I51-Y60 HydrophobicContact CG2-CE1 4Å; L58-Y60 HydrophobicContact CB-CE2 3.98Å; L58-Y60 WeakPolarHBondContact O-CE2 3.49Å; Y60-L89 HydrophobicContact CD1-CD1 3.95Å; Y60-L89 HydrophobicContact CD1-CD2 4.01Å; Y60-L89 HydrophobicContact CE1-CD2 3.95Å; Y60-L89 HydrophobicContact CG-CD1 3.93Å; Y60-L89 HydrophobicContact CG-CD2 4.43Å; Y60-R92 HydrophobicContact CD2-CB 4.47Å; Y60-A93 CarbonylContact O-C 3.51Å; Y60-A93 WeakPolarHBondContact O-CA 3.12Å; Y60-V94 PolarHBondContact O-N 2.84Å
61	D	90.6	Very high	82	Confident	23 Å²	23	48.5 Å²	48.5	12%	0.123	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	121.4	174.6	-69.6	-89.7	0	0	0	108	L49 A50 H52 H96	L49-D61 WeakPolarHBondContact CA-O 3.34Å; A50-D61 HydrophobicContact CB-CB 4.31Å; A50-D61 PolarHBondContact N-O 3.18Å; A50-D61 PolarHBondContact O-N 3.22Å; H52-D61 IonicContact CD2-OD2 2.71Å; H52-D61 PolarHBondContact CD2-OD2 2.79Å; H52-D61 IonicContact NE2-OD2 3.3Å; D61-H96 IonicContact OD1-CD2 3.68Å; D61-H96 IonicContact OD1-CE1 3.54Å; D61-H96 IonicContact OD1-NE2 2.75Å; D61-H96 PolarHBondContact OD1-NE2 3.11Å
62	I	94	Very high	82	Confident	0 Å²	0	55 Å²	55	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	113.3	177.1	-55.4	163.6	0	0	0	108	I47 I48 L49 T82 M85 D86 L89 A93 V94 Q95 H96	I47-I62 HydrophobicContact CG2-CG2 4.08Å; I48-I62 CarbonylContact O-C 3.48Å; I48-I62 WeakPolarHBondContact O-CA 2.96Å; L49-I62 HydrophobicContact CD1-CG1 3.75Å; I62-T82 HydrophobicContact CB-CG2 4.31Å; I62-T82 HydrophobicContact CG2-CG2 3.73Å; I62-M85 HydrophobicContact CD1-CB 3.83Å; I62-D86 HydrophobicContact CD1-CB 4.03Å; I62-L89 HydrophobicContact CD1-CD1 4.13Å; I62-A93 HydrophobicContact CD1-CB 3.56Å; I62-A93 HydrophobicContact CG1-CB 3.84Å; I62-V94 PolarHBondContact N-O 2.98Å; I62-Q95 CarbonylContact O-C 3.49Å; I62-Q95 WeakPolarHBondContact O-CA 3.16Å; I62-H96 PolarHBondContact O-N 2.81Å
63	H	94.8	Very high	82.4	Confident	0 Å²	0	58 Å²	58	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	140.1	173.6	-54.1	-109.6	0	0	0	108.6	I47 I48 H96 E98 F107 Y110	I47-H63 CarbonylContact C-O 3.51Å; I47-H63 WeakPolarHBondContact CA-O 3.45Å; I48-H63 HydrophobicContact CB-CB 4.19Å; I48-H63 PolarHBondContact N-O 2.82Å; I48-H63 PolarHBondContact O-N 3.34Å; H63-H96 WeakPolarHBondContact CA-O 3.49Å; H63-H96 HydrophobicContact CB-CB 4.27Å; H63-H96 AromaticContact CD2-CD2 3.88Å; H63-H96 AromaticContact CE1-CD2 3.26Å; H63-H96 PolarHBondContact CE1-CD2 2.85Å; H63-H96 AromaticContact CE1-CG 3.32Å; H63-H96 AromaticContact CE1-ND1 3.85Å; H63-H96 AromaticContact CE1-NE2 3.74Å; H63-H96 VanDerWaalsContact ND1-CB 3.26Å; H63-H96 WeakPolarHBondContact ND1-CB 3.4Å; H63-H96 AromaticContact ND1-CD2 3.76Å; H63-H96 AromaticContact ND1-CG 3.53Å; H63-H96 AromaticContact NE2-CD2 3.31Å; H63-H96 PolarHBondContact NE2-CD2 2.88Å; H63-H96 VanDerWaalsContact NE2-CD2 3.31Å; H63-H96 AromaticContact NE2-CG 3.86Å; H63-H96 AromaticContact NE2-NE2 3.76Å; H63-E98 HydrophobicContact CB-CG 3.91Å; H63-E98 IonicContact CE1-OE1 2.66Å; H63-E98 IonicContact CG-OE1 2.61Å; H63-E98 IonicContact ND1-OE1 3.49Å; H63-E98 PolarHBondContact ND1-OE1 2.85Å; H63-F107 HydrophobicContact CB-CD2 3.81Å; H63-F107 HydrophobicContact CB-CE2 4.2Å; H63-F107 AromaticContact CG-CD2 3.86Å; H63-F107 AromaticContact ND1-CD2 3.84Å; H63-Y110 AromaticContact CD2-CE2 3.65Å; H63-Y110 AromaticContact CE1-CE2 3.77Å; H63-Y110 AromaticContact NE2-CE2 3.31Å; H63-Y110 VanDerWaalsContact NE2-CE2 3.31Å; H63-Y110 WeakPolarHBondContact NE2-CE2 3.26Å; H63-Y110 AromaticContact NE2-CZ 3.6Å; H63-Y110 PolarHBondContact NE2-OH 2.81Å
64	Y	94.7	Very high	83.1	Confident	5 Å²	5	50.5 Å²	50.5	2%	0.02	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	122.3	161.7	69.7	-72.3	0	0	0	109.1	Y46 I66 A78 A79 T82 H96 R97 E98 M312	Y46-Y64 CarbonylContact O-C 3.55Å; Y46-Y64 WeakPolarHBondContact O-CA 3.32Å; Y64-I66 HydrophobicContact CD2-CD1 4.29Å; Y64-I66 HydrophobicContact CD2-CG1 4.19Å; Y64-I66 HydrophobicContact CE2-CD1 3.86Å; Y64-I66 HydrophobicContact CE2-CG1 4.27Å; Y64-A78 HydrophobicContact CD2-CB 4.14Å; Y64-A79 HydrophobicContact CE2-CB 4.32Å; Y64-T82 HydrophobicContact CD1-CG2 4.2Å; Y64-H96 WeakPolarHBondContact CD1-O 3.36Å; Y64-H96 WeakPolarHBondContact CE1-O 3.18Å; Y64-H96 PolarHBondContact N-O 3.15Å; Y64-R97 HydrophobicContact CE1-CB 3.64Å; Y64-R97 HydrophobicContact CE1-CG 4.05Å; Y64-R97 HydrophobicContact CE2-CG 4.06Å; Y64-R97 WeakPolarHBondContact OH-CB 3.24Å; Y64-R97 VanDerWaalsContact OH-CD 3.25Å; Y64-R97 WeakPolarHBondContact OH-CD 3.44Å; Y64-R97 VanDerWaalsContact OH-CG 3.26Å; Y64-R97 WeakPolarHBondContact OH-CG 3.31Å; Y64-E98 PolarHBondContact O-N 3.27Å; Y64-M312 HydrophobicContact CE1-CE 3.78Å; Y64-M312 HydrophobicContact CE1-SD 4.4Å; Y64-M312 PolarHBondContact OH-SD 3.33Å
65	W	95.8	Very high	84.7	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	132.5	-175.8	-177	96.5	0	0	0	110	F40 F41 C45 Y46 I48 G67 E98 Q100 E103 F107 I117	F40-W65 HydrophobicContact CB-CE3 4.36Å; F40-W65 HydrophobicContact CB-CH2 3.87Å; F40-W65 HydrophobicContact CB-CZ2 4.25Å; F40-W65 HydrophobicContact CB-CZ3 3.94Å; F40-W65 HydrophobicContact CD1-CD2 4.39Å; F40-W65 HydrophobicContact CD1-CE3 4.22Å; F41-W65 WeakPolarHBondContact O-CZ3 3.43Å; C45-W65 WeakPolarHBondContact CA-O 3.46Å; Y46-W65 AromaticContact CD2-CE3 3.78Å; Y46-W65 HydrophobicContact CD2-CE3 3.78Å; Y46-W65 HydrophobicContact CD2-CZ3 4.07Å; Y46-W65 HydrophobicContact CE2-CE3 4.37Å; Y46-W65 HydrophobicContact CE2-CZ3 4.2Å; Y46-W65 PolarHBondContact N-O 2.85Å; Y46-W65 PolarHBondContact O-N 2.79Å; I48-W65 HydrophobicContact CD1-CB 4.17Å; W65-G67 VanDerWaalsContact CH2-CA 3.46Å; W65-G67 VanDerWaalsContact CZ3-N 3.3Å; W65-E98 CarbonylContact C-O 3.5Å; W65-E98 WeakPolarHBondContact CA-O 3.46Å; W65-E98 HydrophobicContact CB-CB 4.16Å; W65-E98 HydrophobicContact CG-CB 4.36Å; W65-Q100 HydrophobicContact CH2-CB 4.19Å; W65-Q100 HydrophobicContact CH2-CG 4.33Å; W65-Q100 HydrophobicContact CZ2-CB 3.57Å; W65-Q100 HydrophobicContact CZ2-CG 3.75Å; W65-E103 PolarHBondContact NE1-OE1 2.85Å; W65-E103 VanDerWaalsContact NE1-OE1 3.12Å; W65-F107 HydrophobicContact CB-CE2 4.22Å; W65-F107 HydrophobicContact CB-CZ 4.01Å; W65-F107 AromaticContact CD1-CE1 3.67Å; W65-F107 AromaticContact CD1-CZ 3.61Å; W65-F107 HydrophobicContact CG-CE1 4.46Å; W65-F107 AromaticContact CG-CZ 3.98Å; W65-F107 HydrophobicContact CG-CZ 3.98Å; W65-I117 HydrophobicContact CH2-CD1 4.19Å; W65-I117 HydrophobicContact CZ2-CD1 3.7Å
66	I	93.7	Very high	86.4	Confident	10 Å²	10	46.1 Å²	46.1	5%	0.051	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	114.9	-175.7	-60	169	0	0	0	108.9	Y64 S70 Q75 R97 E98 Q100	Y64-I66 HydrophobicContact CD2-CD1 4.29Å; Y64-I66 HydrophobicContact CD2-CG1 4.19Å; Y64-I66 HydrophobicContact CE2-CD1 3.86Å; Y64-I66 HydrophobicContact CE2-CG1 4.27Å; I66-S70 WeakPolarHBondContact CG2-OG 3.19Å; I66-Q75 HydrophobicContact CG1-CG 4.39Å; I66-Q75 HydrophobicContact CG2-CG 3.7Å; I66-R97 HydrophobicContact CD1-CG 4.41Å; I66-E98 PolarHBondContact N-O 2.88Å; I66-Q100 PolarHBondContact O-N 3.4Å
67	G	90.9	Very high	88.2	Confident	1 Å²	1	42.9 Å²	42.9	1%	0.01	24%	0.238	C	C	.	.			trans	-68.6	148.7	171.6	0	0	0	0	0	112.3	D42 D44 W65 D69 S70	D42-G67 CarbonylContact O-C 3.5Å; D42-G67 WeakPolarHBondContact O-CA 3.41Å; D44-G67 WeakPolarHBondContact O-CA 3.47Å; D44-G67 PolarHBondContact O-N 3.27Å; W65-G67 VanDerWaalsContact CH2-CA 3.46Å; W65-G67 VanDerWaalsContact CZ3-N 3.3Å; G67-D69 VanDerWaalsContact C-N 3.27Å; G67-D69 PolarHBondContact O-N 2.83Å; G67-S70 WeakPolarHBondContact O-CB 3.3Å; G67-S70 PolarHBondContact O-N 3.43Å; G67-S70 PolarHBondContact O-OG 2.85Å
68	Q	90.1	Very high	89.2	Confident	128 Å²	128	37.6 Å²	37.6	60%	0.598	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-36.8	-176.2	-173.5	72	19.5	0	0	113	D42 Q100	D42-Q68 PolarHBondContact O-N 3.01Å; D42-Q68 VanDerWaalsContact O-N 3.11Å; Q68-Q100 HydrophobicContact CB-CB 4.48Å; Q68-Q100 HydrophobicContact CB-CG 4.5Å
69	D	88.4	Confident	89.7	Confident	97 Å²	97	36.7 Å²	36.7	52%	0.519	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	12.1	-176.5	-67.5	-29.6	0	0	0	111.8	D42 G67 K119	D42-D69 CarbonylContact O-C 3.56Å; D42-D69 WeakPolarHBondContact O-CA 3.48Å; D42-D69 PolarHBondContact O-N 2.81Å; G67-D69 VanDerWaalsContact C-N 3.27Å; G67-D69 PolarHBondContact O-N 2.83Å; D69-K119 IonicContact OD2-NZ 3.68Å; D69-K119 PolarHBondContact OD2-NZ 2.8Å; D69-K119 VanDerWaalsContact OD2-NZ 3.08Å
70	S	90.2	Very high	89.9	Confident	13 Å²	13	39.1 Å²	39.1	9%	0.091	22%	0.218	C	C	.	.			trans	-71.4	148.9	-178.2	67.2	0	0	0	0	114.1	D42 G43 I66 G67 Q75	D42-S70 PolarHBondContact O-N 2.85Å; G43-S70 WeakPolarHBondContact O-CA 3.38Å; I66-S70 WeakPolarHBondContact CG2-OG 3.19Å; G67-S70 WeakPolarHBondContact O-CB 3.3Å; G67-S70 PolarHBondContact O-N 3.43Å; G67-S70 PolarHBondContact O-OG 2.85Å; S70-Q75 PolarHBondContact O-NE2 3.21Å; S70-Q75 PolarHBondContact OG-NE2 3.13Å
71	S	88.3	Confident	90	Very high	46 Å²	46	40.3 Å²	40.3	32%	0.322	22%	0.222	S	C	.	.			trans	-75.7	151	-178.9	72.1	0	0	0	0	113	D73 E74 Q75	S71-D73 PolarHBondContact O-N 3.02Å; S71-E74 WeakPolarHBondContact CB-OE2 3.4Å; S71-E74 PolarHBondContact N-OE2 2.84Å; S71-E74 PolarHBondContact O-N 2.91Å; S71-E74 WeakPolarHBondContact OG-CB 3.39Å; S71-E74 VanDerWaalsContact OG-CG 3.22Å; S71-E74 WeakPolarHBondContact OG-CG 3.39Å; S71-E74 PolarHBondContact OG-N 3.21Å; S71-E74 PolarHBondContact OG-OE2 2.77Å; S71-Q75 WeakPolarHBondContact O-CG 3.5Å; S71-Q75 PolarHBondContact O-N 2.86Å
72	L	86.6	Confident	90	Very high	141 Å²	141	39.2 Å²	39.2	74%	0.738	22%	0.217	S	C	*	.	H	α-helix	trans	-60.3	-32.7	177.1	-71.4	174.9	0	0	0	112.6	G76	L72-G76 PolarHBondContact O-N 3.25Å
73	D	86.8	Confident	89.6	Confident	114 Å²	114	41 Å²	41	61%	0.61	23%	0.228	S	C	*	.	H	α-helix	trans	-69.1	-44.7	-179.6	-59.7	-24.4	0	0	0	110.4	M27 S71 G76 A77	M27-D73 HydrophobicContact CE-CB 4.16Å; M27-D73 WeakPolarHBondContact CE-O 3.46Å; M27-D73 VanDerWaalsContact SD-C 3.56Å; M27-D73 HydrophobicContact SD-CB 3.92Å; M27-D73 VanDerWaalsContact SD-O 3.35Å; S71-D73 PolarHBondContact O-N 3.02Å; D73-G76 PolarHBondContact O-N 3.07Å; D73-A77 PolarHBondContact O-N 3.21Å
74	E	86.9	Confident	89.1	Confident	15 Å²	15	42.9 Å²	42.9	7%	0.07	24%	0.236	C	C	.	.	H	α-helix	trans	-64.9	-40.3	175.7	-72.8	163.6	153.2	0	0	112.1	I24 C45 S71 G76 A77 A78	I24-E74 HydrophobicContact CG2-CB 4.29Å; I24-E74 HydrophobicContact CG2-CG 4.13Å; C45-E74 HydrophobicContact CB-CB 4.35Å; S71-E74 WeakPolarHBondContact CB-OE2 3.4Å; S71-E74 PolarHBondContact N-OE2 2.84Å; S71-E74 PolarHBondContact O-N 2.91Å; S71-E74 WeakPolarHBondContact OG-CB 3.39Å; S71-E74 VanDerWaalsContact OG-CG 3.22Å; S71-E74 WeakPolarHBondContact OG-CG 3.39Å; S71-E74 PolarHBondContact OG-N 3.21Å; S71-E74 PolarHBondContact OG-OE2 2.77Å; E74-G76 VanDerWaalsContact C-N 3.31Å; E74-G76 PolarHBondContact O-N 3.19Å; E74-A77 PolarHBondContact O-N 3.23Å; E74-A78 WeakPolarHBondContact O-CB 3.32Å; E74-A78 PolarHBondContact O-N 2.97Å
75	Q	89.5	Confident	88.8	Confident	51 Å²	51	42.7 Å²	42.7	24%	0.238	24%	0.236	C	C	.	.	H	α-helix	trans	-59.9	-43.2	173.4	-70	177.5	35	0	0	111.4	C45 I66 S70 S71 A78 A79	C45-Q75 VanDerWaalsContact SG-CG 3.59Å; I66-Q75 HydrophobicContact CG1-CG 4.39Å; I66-Q75 HydrophobicContact CG2-CG 3.7Å; S70-Q75 PolarHBondContact O-NE2 3.21Å; S70-Q75 PolarHBondContact OG-NE2 3.13Å; S71-Q75 WeakPolarHBondContact O-CG 3.5Å; S71-Q75 PolarHBondContact O-N 2.86Å; Q75-A78 PolarHBondContact O-N 2.78Å; Q75-A79 PolarHBondContact O-N 3.23Å; Q75-A79 VanDerWaalsContact O-N 3.16Å
76	G	87	Confident	88.4	Confident	34 Å²	34	42.8 Å²	42.8	35%	0.351	24%	0.236	S	C	.	.	H	α-helix	trans	-63.5	-43.3	175	0	0	0	0	0	112.5	L72 D73 E74 A79 I80	L72-G76 PolarHBondContact O-N 3.25Å; D73-G76 PolarHBondContact O-N 3.07Å; E74-G76 VanDerWaalsContact C-N 3.31Å; E74-G76 PolarHBondContact O-N 3.19Å; G76-A79 PolarHBondContact O-N 2.95Å; G76-I80 WeakPolarHBondContact O-CD1 3.44Å; G76-I80 VanDerWaalsContact O-CG1 3.26Å; G76-I80 WeakPolarHBondContact O-CG1 3.27Å; G76-I80 PolarHBondContact O-N 2.56Å
77	A	88.6	Confident	88	Confident	5 Å²	5	46.6 Å²	46.6	4%	0.041	26%	0.257	C	S	.	.	H	α-helix	trans	-61.9	-45.7	176.3	0	0	0	0	0	112.1	I24 M27 D73 E74 A79 I80 Y81	I24-A77 HydrophobicContact CG2-CB 4.07Å; M27-A77 HydrophobicContact CE-CB 3.78Å; M27-A77 HydrophobicContact SD-CB 3.7Å; D73-A77 PolarHBondContact O-N 3.21Å; E74-A77 PolarHBondContact O-N 3.23Å; A77-A79 PolarHBondContact O-N 3.37Å; A77-I80 PolarHBondContact O-N 3.2Å; A77-Y81 WeakPolarHBondContact O-CD2 3.47Å; A77-Y81 PolarHBondContact O-N 3.19Å
78	A	90.5	Very high	87.7	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-57.9	-47.2	178	0	0	0	0	0	111.6	I24 C45 I47 Y64 E74 Q75 I80 Y81 T82	I24-A78 HydrophobicContact CG1-CB 4.16Å; C45-A78 HydrophobicContact CB-CB 3.91Å; I47-A78 HydrophobicContact CG1-CB 4.5Å; Y64-A78 HydrophobicContact CD2-CB 4.14Å; E74-A78 WeakPolarHBondContact O-CB 3.32Å; E74-A78 PolarHBondContact O-N 2.97Å; Q75-A78 PolarHBondContact O-N 2.78Å; A78-I80 PolarHBondContact O-N 2.99Å; A78-Y81 PolarHBondContact O-N 2.89Å; A78-T82 PolarHBondContact O-N 3.19Å; A78-T82 PolarHBondContact O-OG1 2.92Å; A78-T82 VanDerWaalsContact O-OG1 3.05Å
79	A	87.3	Confident	87.5	Confident	31 Å²	31	44.2 Å²	44.2	26%	0.256	24%	0.244	S	C	.	.	H	α-helix	trans	-62.2	-39.8	177.3	0	0	0	0	0	113	Y64 Q75 G76 A77 T83	Y64-A79 HydrophobicContact CE2-CB 4.32Å; Q75-A79 PolarHBondContact O-N 3.23Å; Q75-A79 VanDerWaalsContact O-N 3.16Å; G76-A79 PolarHBondContact O-N 2.95Å; A77-A79 PolarHBondContact O-N 3.37Å; A79-T83 PolarHBondContact O-N 2.96Å; A79-T83 PolarHBondContact O-OG1 3.13Å; A79-T83 VanDerWaalsContact O-OG1 3.06Å
80	I	86.3	Confident	87.3	Confident	96 Å²	96	48.1 Å²	48.1	49%	0.492	26%	0.257	S	S	.	.	H	α-helix	trans	-63.8	-47.1	176.6	-71	166.1	0	0	0	110.5	G76 A77 A78 T83 Q84	G76-I80 WeakPolarHBondContact O-CD1 3.44Å; G76-I80 VanDerWaalsContact O-CG1 3.26Å; G76-I80 WeakPolarHBondContact O-CG1 3.27Å; G76-I80 PolarHBondContact O-N 2.56Å; A77-I80 PolarHBondContact O-N 3.2Å; A78-I80 PolarHBondContact O-N 2.99Å; I80-T83 PolarHBondContact O-N 2.98Å; I80-Q84 HydrophobicContact CG2-CG 4.47Å; I80-Q84 VanDerWaalsContact CG2-NE2 3.28Å; I80-Q84 WeakPolarHBondContact O-CG 3.46Å; I80-Q84 PolarHBondContact O-N 3.08Å
81	Y	89.3	Confident	86.9	Confident	36 Å²	36	48.6 Å²	48.6	14%	0.141	26%	0.264	C	S	.	.	H	α-helix	trans	-64.5	-40.4	179.8	-81.9	-58.9	0	0	0	112.3	I24 M27 M29 I47 A77 A78 T83 Q84 M85	I24-Y81 HydrophobicContact CD1-CD2 3.8Å; I24-Y81 HydrophobicContact CD1-CE2 4.17Å; M27-Y81 PolarHBondContact O-OH 3.07Å; M29-Y81 HydrophobicContact CB-CD2 4.37Å; M29-Y81 HydrophobicContact CB-CE1 4.33Å; M29-Y81 HydrophobicContact CB-CE2 4.13Å; M29-Y81 HydrophobicContact SD-CD1 4.26Å; M29-Y81 HydrophobicContact SD-CG 4.4Å; I47-Y81 HydrophobicContact CD1-CD2 4.28Å; I47-Y81 HydrophobicContact CD1-CG 4.07Å; A77-Y81 WeakPolarHBondContact O-CD2 3.47Å; A77-Y81 PolarHBondContact O-N 3.19Å; A78-Y81 PolarHBondContact O-N 2.89Å; Y81-T83 VanDerWaalsContact C-N 3.31Å; Y81-T83 PolarHBondContact O-N 2.92Å; Y81-Q84 PolarHBondContact O-N 3.16Å; Y81-M85 WeakPolarHBondContact O-CB 3.3Å; Y81-M85 WeakPolarHBondContact O-CG 3.34Å; Y81-M85 PolarHBondContact O-N 3.22Å
82	T	89.7	Confident	86.6	Confident	1 Å²	1	52 Å²	52	1%	0.006	27%	0.27	C	S	.	.	H	α-helix	trans	-55	-46.4	173.2	-63.9	0	0	0	0	111.7	I62 Y64 A78 M85 D86 Q95	I62-T82 HydrophobicContact CB-CG2 4.31Å; I62-T82 HydrophobicContact CG2-CG2 3.73Å; Y64-T82 HydrophobicContact CD1-CG2 4.2Å; A78-T82 PolarHBondContact O-N 3.19Å; A78-T82 PolarHBondContact O-OG1 2.92Å; A78-T82 VanDerWaalsContact O-OG1 3.05Å; T82-M85 PolarHBondContact O-N 3.16Å; T82-D86 PolarHBondContact O-N 3.02Å; T82-Q95 HydrophobicContact CG2-CB 4.05Å; T82-Q95 HydrophobicContact CG2-CG 4.1Å
83	T	86	Confident	86.7	Confident	37 Å²	37	45.3 Å²	45.3	23%	0.227	24%	0.235	C	C	.	.	H	α-helix	trans	-63.6	-44.5	177.5	-54.6	0	0	0	0	111.4	A79 I80 Y81 M85 D86 D87	A79-T83 PolarHBondContact O-N 2.96Å; A79-T83 PolarHBondContact O-OG1 3.13Å; A79-T83 VanDerWaalsContact O-OG1 3.06Å; I80-T83 PolarHBondContact O-N 2.98Å; Y81-T83 VanDerWaalsContact C-N 3.31Å; Y81-T83 PolarHBondContact O-N 2.92Å; T83-M85 VanDerWaalsContact C-N 3.32Å; T83-M85 PolarHBondContact O-N 3.13Å; T83-D86 PolarHBondContact O-N 3.21Å; T83-D87 PolarHBondContact O-N 2.84Å
84	Q	85.6	Confident	86.8	Confident	39 Å²	39	40.2 Å²	40.2	18%	0.182	21%	0.207	C	C	.	.	H	α-helix	trans	-65	-35.8	178.3	-68.7	178	16.2	0	0	112.7	L4 I80 Y81 F88	L4-Q84 HydrophobicContact CD1-CB 4.07Å; L4-Q84 VanDerWaalsContact CD1-O 3.28Å; L4-Q84 WeakPolarHBondContact CD1-O 3.32Å; L4-Q84 HydrophobicContact CD2-CB 4.45Å; L4-Q84 HydrophobicContact CG-CB 3.95Å; I80-Q84 HydrophobicContact CG2-CG 4.47Å; I80-Q84 VanDerWaalsContact CG2-NE2 3.28Å; I80-Q84 WeakPolarHBondContact O-CG 3.46Å; I80-Q84 PolarHBondContact O-N 3.08Å; Y81-Q84 PolarHBondContact O-N 3.16Å; Q84-F88 WeakPolarHBondContact O-CB 3.13Å; Q84-F88 PolarHBondContact O-N 3.1Å
85	M	87.9	Confident	87.1	Confident	2 Å²	2	39.9 Å²	39.9	1%	0.01	21%	0.206	C	C	.	.	H	α-helix	trans	-67.6	-42.3	175.9	-76.8	179.8	58.9	0	0	111.5	L4 L12 W22 M29 I47 L49 I62 Y81 T82 T83 F88 L89	L4-M85 HydrophobicContact CD2-CG 4.32Å; L12-M85 HydrophobicContact CD2-CE 3.66Å; W22-M85 HydrophobicContact CH2-CE 4.39Å; W22-M85 HydrophobicContact CZ3-CE 4.05Å; M29-M85 HydrophobicContact CE-SD 3.85Å; M29-M85 HydrophobicContact SD-SD 4.13Å; I47-M85 HydrophobicContact CG2-CE 4.28Å; I47-M85 HydrophobicContact CG2-SD 3.77Å; L49-M85 HydrophobicContact CB-CE 4.04Å; L49-M85 HydrophobicContact CD2-CE 4.18Å; L49-M85 HydrophobicContact CG-CE 4.49Å; I62-M85 HydrophobicContact CD1-CB 3.83Å; Y81-M85 WeakPolarHBondContact O-CB 3.3Å; Y81-M85 WeakPolarHBondContact O-CG 3.34Å; Y81-M85 PolarHBondContact O-N 3.22Å; T82-M85 PolarHBondContact O-N 3.16Å; T83-M85 VanDerWaalsContact C-N 3.32Å; T83-M85 PolarHBondContact O-N 3.13Å; M85-F88 WeakPolarHBondContact O-CB 3.42Å; M85-F88 PolarHBondContact O-N 3.49Å; M85-L89 WeakPolarHBondContact O-CG 3.26Å; M85-L89 PolarHBondContact O-N 2.74Å
86	D	86.9	Confident	87.2	Confident	2 Å²	2	37.7 Å²	37.7	1%	0.011	20%	0.195	C	C	.	.	H	α-helix	trans	-63.3	-43.5	174	-171.6	27.8	0	0	0	111.5	I62 T82 T83 F88 L89 K90 G91 R92 A93 Q95 K299 N334	I62-D86 HydrophobicContact CD1-CB 4.03Å; T82-D86 PolarHBondContact O-N 3.02Å; T83-D86 PolarHBondContact O-N 3.21Å; D86-F88 VanDerWaalsContact C-N 3.27Å; D86-F88 PolarHBondContact O-N 3.35Å; D86-L89 CarbonylContact O-C 3.59Å; D86-L89 WeakPolarHBondContact O-CA 3.25Å; D86-L89 PolarHBondContact O-N 2.86Å; D86-K90 PolarHBondContact O-N 3.04Å; D86-G91 PolarHBondContact O-N 2.97Å; D86-G91 VanDerWaalsContact OD1-CA 3.23Å; D86-G91 WeakPolarHBondContact OD1-CA 3.35Å; D86-R92 PolarHBondContact OD1-N 3.34Å; D86-A93 PolarHBondContact OD1-N 2.78Å; D86-Q95 HydrophobicContact CB-CG 4.36Å; D86-Q95 PolarHBondContact OD2-NE2 3.38Å; D86-K299 IonicContact OD2-NZ 2.58Å; D86-K299 PolarHBondContact OD2-NZ 2.86Å; D86-N334 PolarHBondContact OD1-ND2 2.78Å; D86-N334 PolarHBondContact OD2-ND2 2.88Å
87	D	85	Confident	87.5	Confident	89 Å²	89	37.3 Å²	37.3	48%	0.476	18%	0.183	S	C	.	.	H	α-helix	trans	-56.7	-41.5	173.3	-77.5	-11	0	0	0	111.4	T83 K90	T83-D87 PolarHBondContact O-N 2.84Å; D87-K90 PolarHBondContact O-N 2.97Å; D87-K90 VanDerWaalsContact O-N 3.11Å
88	F	85.5	Confident	87.7	Confident	75 Å²	75	37.1 Å²	37.1	33%	0.329	18%	0.182	S	C	.	.	H	α-helix	trans	-65.9	-36.9	175.7	179.1	-102.2	0	0	0	112.6	L4 K9 L12 I14 Q84 M85 D86 K90	L4-F88 HydrophobicContact CD1-CB 3.69Å; L4-F88 HydrophobicContact CD1-CD2 4.49Å; L4-F88 HydrophobicContact CD1-CG 4.21Å; K9-F88 HydrophobicContact CG-CE2 4.5Å; L12-F88 HydrophobicContact CD1-CD1 4.23Å; L12-F88 HydrophobicContact CD1-CE1 4.3Å; I14-F88 HydrophobicContact CD1-CE1 4.13Å; I14-F88 HydrophobicContact CG2-CE1 4.12Å; Q84-F88 WeakPolarHBondContact O-CB 3.13Å; Q84-F88 PolarHBondContact O-N 3.1Å; M85-F88 WeakPolarHBondContact O-CB 3.42Å; M85-F88 PolarHBondContact O-N 3.49Å; D86-F88 VanDerWaalsContact C-N 3.27Å; D86-F88 PolarHBondContact O-N 3.35Å; F88-K90 PolarHBondContact O-N 2.98Å
89	L	85.3	Confident	87.7	Confident	4 Å²	4	38 Å²	38	2%	0.021	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	0.4	173.6	-66.4	175.3	0	0	0	113.3	I14 L49 Y60 I62 M85 D86 R92 A93	I14-L89 HydrophobicContact CB-CD2 4.16Å; I14-L89 HydrophobicContact CG2-CD2 3.72Å; L49-L89 HydrophobicContact CD1-CD1 4.11Å; Y60-L89 HydrophobicContact CD1-CD1 3.95Å; Y60-L89 HydrophobicContact CD1-CD2 4.01Å; Y60-L89 HydrophobicContact CE1-CD2 3.95Å; Y60-L89 HydrophobicContact CG-CD1 3.93Å; Y60-L89 HydrophobicContact CG-CD2 4.43Å; I62-L89 HydrophobicContact CD1-CD1 4.13Å; M85-L89 WeakPolarHBondContact O-CG 3.26Å; M85-L89 PolarHBondContact O-N 2.74Å; D86-L89 CarbonylContact O-C 3.59Å; D86-L89 WeakPolarHBondContact O-CA 3.25Å; D86-L89 PolarHBondContact O-N 2.86Å; L89-R92 WeakPolarHBondContact O-CB 3.01Å; L89-R92 WeakPolarHBondContact O-CG 3.24Å; L89-R92 PolarHBondContact O-NE 2.75Å; L89-A93 HydrophobicContact CD1-CB 3.88Å
90	K	84.7	Confident	87.8	Confident	179 Å²	179	38.3 Å²	38.3	78%	0.778	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.1	38.8	-179.5	-52.3	179.6	179.3	179.7	0	113.3	D86 D87 F88 R92	D86-K90 PolarHBondContact O-N 3.04Å; D87-K90 PolarHBondContact O-N 2.97Å; D87-K90 VanDerWaalsContact O-N 3.11Å; F88-K90 PolarHBondContact O-N 2.98Å; K90-R92 VanDerWaalsContact C-N 3.31Å; K90-R92 PolarHBondContact O-N 2.7Å
91	G	80.9	Confident	87.4	Confident	23 Å²	23	36.1 Å²	36.1	24%	0.237	19%	0.185	C	C	.	.	S	Bend	trans	68	31.9	179	0	0	0	0	0	112.7	D86 N334	D86-G91 PolarHBondContact O-N 2.97Å; D86-G91 VanDerWaalsContact OD1-CA 3.23Å; D86-G91 WeakPolarHBondContact OD1-CA 3.35Å; G91-N334 WeakPolarHBondContact O-CB 3.46Å; G91-N334 PolarHBondContact O-ND2 3.33Å
92	R	83.4	Confident	87	Confident	119 Å²	119	37.8 Å²	37.8	45%	0.449	20%	0.196	S	C	.	.			trans	-103.8	-2	-179.5	-66	-172.4	-62.9	157.7	6.9	113	Y60 D86 L89 K90	Y60-R92 HydrophobicContact CD2-CB 4.47Å; D86-R92 PolarHBondContact OD1-N 3.34Å; L89-R92 WeakPolarHBondContact O-CB 3.01Å; L89-R92 WeakPolarHBondContact O-CG 3.24Å; L89-R92 PolarHBondContact O-NE 2.75Å; K90-R92 VanDerWaalsContact C-N 3.31Å; K90-R92 PolarHBondContact O-N 2.7Å
93	A	87.4	Confident	86.7	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	148.9	179.6	0	0	0	0	0	111.1	Y60 I62 D86 L89 N334	Y60-A93 CarbonylContact O-C 3.51Å; Y60-A93 WeakPolarHBondContact O-CA 3.12Å; I62-A93 HydrophobicContact CD1-CB 3.56Å; I62-A93 HydrophobicContact CG1-CB 3.84Å; D86-A93 PolarHBondContact OD1-N 2.78Å; L89-A93 HydrophobicContact CD1-CB 3.88Å; A93-N334 PolarHBondContact O-ND2 2.99Å
94	V	89.1	Confident	86.4	Confident	6 Å²	6	36.3 Å²	36.3	4%	0.036	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	133.4	162.7	-177	0	0	0	0	107.4	Y60 I62 H96 E331 A337	Y60-V94 PolarHBondContact O-N 2.84Å; I62-V94 PolarHBondContact N-O 2.98Å; V94-H96 WeakPolarHBondContact CG1-NE2 3.33Å; V94-E331 HydrophobicContact CG1-CG 3.54Å; V94-E331 WeakPolarHBondContact CG1-OE1 3.44Å; V94-A337 VanDerWaalsContact CG2-O 3.26Å; V94-A337 WeakPolarHBondContact CG2-O 3.43Å
95	Q	93.3	Very high	85.9	Confident	8 Å²	8	37.6 Å²	37.6	4%	0.037	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	134.5	179.2	-47.2	176.6	16.8	0	0	110.2	I62 T82 D86 M312 E331 V332	I62-Q95 CarbonylContact O-C 3.49Å; I62-Q95 WeakPolarHBondContact O-CA 3.16Å; T82-Q95 HydrophobicContact CG2-CB 4.05Å; T82-Q95 HydrophobicContact CG2-CG 4.1Å; D86-Q95 HydrophobicContact CB-CG 4.36Å; D86-Q95 PolarHBondContact OD2-NE2 3.38Å; Q95-M312 HydrophobicContact CB-CE 4.34Å; Q95-E331 CarbonylContact O-C 3.14Å; Q95-E331 WeakPolarHBondContact O-CA 3.36Å; Q95-V332 HydrophobicContact CB-CB 4.09Å; Q95-V332 HydrophobicContact CG-CB 4.5Å; Q95-V332 PolarHBondContact N-O 2.83Å; Q95-V332 PolarHBondContact O-N 3.15Å
96	H	91.8	Very high	85.5	Confident	5 Å²	5	38.7 Å²	38.7	2%	0.023	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	131.3	-176.9	-57	-94.4	0	0	0	110.5	D61 I62 H63 Y64 V94 E98 E331	D61-H96 IonicContact OD1-CD2 3.68Å; D61-H96 IonicContact OD1-CE1 3.54Å; D61-H96 IonicContact OD1-NE2 2.75Å; D61-H96 PolarHBondContact OD1-NE2 3.11Å; I62-H96 PolarHBondContact O-N 2.81Å; H63-H96 WeakPolarHBondContact CA-O 3.49Å; H63-H96 HydrophobicContact CB-CB 4.27Å; H63-H96 AromaticContact CD2-CD2 3.88Å; H63-H96 AromaticContact CE1-CD2 3.26Å; H63-H96 PolarHBondContact CE1-CD2 2.85Å; H63-H96 AromaticContact CE1-CG 3.32Å; H63-H96 AromaticContact CE1-ND1 3.85Å; H63-H96 AromaticContact CE1-NE2 3.74Å; H63-H96 VanDerWaalsContact ND1-CB 3.26Å; H63-H96 WeakPolarHBondContact ND1-CB 3.4Å; H63-H96 AromaticContact ND1-CD2 3.76Å; H63-H96 AromaticContact ND1-CG 3.53Å; H63-H96 AromaticContact NE2-CD2 3.31Å; H63-H96 PolarHBondContact NE2-CD2 2.88Å; H63-H96 VanDerWaalsContact NE2-CD2 3.31Å; H63-H96 AromaticContact NE2-CG 3.86Å; H63-H96 AromaticContact NE2-NE2 3.76Å; Y64-H96 WeakPolarHBondContact CD1-O 3.36Å; Y64-H96 WeakPolarHBondContact CE1-O 3.18Å; Y64-H96 PolarHBondContact N-O 3.15Å; V94-H96 WeakPolarHBondContact CG1-NE2 3.33Å; H96-E98 WeakPolarHBondContact CB-OE1 3.33Å; H96-E331 VanDerWaalsContact CE1-CD 3.47Å; H96-E331 IonicContact CE1-OE1 3.58Å; H96-E331 IonicContact CE1-OE2 2.82Å; H96-E331 IonicContact ND1-OE2 3.71Å
97	R	93.6	Very high	85.5	Confident	26 Å²	26	38.6 Å²	38.6	10%	0.098	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	115.6	170.5	179.4	178.5	-178.9	-96.7	-2.6	109.7	Y64 I66 V99 M312 P326 T328 V330	Y64-R97 HydrophobicContact CE1-CB 3.64Å; Y64-R97 HydrophobicContact CE1-CG 4.05Å; Y64-R97 HydrophobicContact CE2-CG 4.06Å; Y64-R97 WeakPolarHBondContact OH-CB 3.24Å; Y64-R97 VanDerWaalsContact OH-CD 3.25Å; Y64-R97 WeakPolarHBondContact OH-CD 3.44Å; Y64-R97 VanDerWaalsContact OH-CG 3.26Å; Y64-R97 WeakPolarHBondContact OH-CG 3.31Å; I66-R97 HydrophobicContact CD1-CG 4.41Å; R97-V99 VanDerWaalsContact CZ-CG2 3.47Å; R97-V99 VanDerWaalsContact NH1-CG2 3.33Å; R97-M312 HydrophobicContact CB-SD 4.29Å; R97-P326 PolarHBondContact NH1-O 2.87Å; R97-P326 PolarHBondContact NH2-O 3.22Å; R97-T328 PolarHBondContact NH1-O 2.8Å; R97-V330 HydrophobicContact CB-CB 4.05Å; R97-V330 PolarHBondContact N-O 3.37Å
98	E	92.9	Very high	85.3	Confident	2 Å²	2	36.7 Å²	36.7	1%	0.009	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	130	-179.5	-49.5	-63.6	177.8	0	0	110.3	H63 Y64 W65 I66 H96 E103 S104 F107	H63-E98 HydrophobicContact CB-CG 3.91Å; H63-E98 IonicContact CE1-OE1 2.66Å; H63-E98 IonicContact CG-OE1 2.61Å; H63-E98 IonicContact ND1-OE1 3.49Å; H63-E98 PolarHBondContact ND1-OE1 2.85Å; Y64-E98 PolarHBondContact O-N 3.27Å; W65-E98 CarbonylContact C-O 3.5Å; W65-E98 WeakPolarHBondContact CA-O 3.46Å; W65-E98 HydrophobicContact CB-CB 4.16Å; W65-E98 HydrophobicContact CG-CB 4.36Å; I66-E98 PolarHBondContact N-O 2.88Å; H96-E98 WeakPolarHBondContact CB-OE1 3.33Å; E98-E103 WeakPolarHBondContact OE2-CA 3.34Å; E98-S104 WeakPolarHBondContact OE1-CB 3.42Å; E98-S104 PolarHBondContact OE1-OG 2.98Å; E98-S104 WeakPolarHBondContact OE2-CB 3.35Å; E98-S104 PolarHBondContact OE2-N 2.63Å; E98-S104 PolarHBondContact OE2-OG 3.34Å; E98-F107 HydrophobicContact CG-CB 4.09Å; E98-F107 HydrophobicContact CG-CD2 3.78Å; E98-F107 HydrophobicContact CG-CE2 4.36Å; E98-F107 HydrophobicContact CG-CG 3.94Å; E98-F107 WeakPolarHBondContact OE1-CB 3.46Å
99	V	90.1	Very high	84.8	Confident	18 Å²	18	33.4 Å²	33.4	11%	0.109	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	136	177.5	-178.4	0	0	0	0	108.2	R97 G101 N102 E103	R97-V99 VanDerWaalsContact CZ-CG2 3.47Å; R97-V99 VanDerWaalsContact NH1-CG2 3.33Å; V99-G101 PolarHBondContact O-N 2.82Å; V99-N102 CarbonylContact O-C 3.55Å; V99-N102 WeakPolarHBondContact O-CA 3.3Å; V99-N102 PolarHBondContact O-N 3.45Å; V99-E103 PolarHBondContact O-N 3.33Å
100	Q	88.6	Confident	84.7	Confident	37 Å²	37	35 Å²	35	17%	0.173	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.3	127.5	178.7	-178.2	174.1	-27.9	0	0	112.3	W65 I66 Q68 N102 E103	W65-Q100 HydrophobicContact CH2-CB 4.19Å; W65-Q100 HydrophobicContact CH2-CG 4.33Å; W65-Q100 HydrophobicContact CZ2-CB 3.57Å; W65-Q100 HydrophobicContact CZ2-CG 3.75Å; I66-Q100 PolarHBondContact O-N 3.4Å; Q68-Q100 HydrophobicContact CB-CB 4.48Å; Q68-Q100 HydrophobicContact CB-CG 4.5Å; Q100-N102 PolarHBondContact O-N 3.16Å; Q100-N102 PolarHBondContact O-ND2 3.04Å; Q100-E103 WeakPolarHBondContact CA-OE1 3.49Å
101	G	78.7	Confident	84.6	Confident	51 Å²	51	26.8 Å²	26.8	53%	0.526	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.7	-6	-179.5	0	0	0	0	0	115.3	V99 E103 R108	V99-G101 PolarHBondContact O-N 2.82Å; G101-E103 WeakPolarHBondContact CA-OE2 3.23Å; G101-E103 VanDerWaalsContact N-CD 3.33Å; G101-E103 PolarHBondContact N-OE1 3.35Å; G101-E103 PolarHBondContact N-OE2 3.48Å; G101-R108 PolarHBondContact O-NH2 3.26Å
102	N	80.8	Confident	84	Confident	70 Å²	70	29.2 Å²	29.2	37%	0.374	15%	0.15	S	C	.	.			trans	-129.4	26.4	179.1	-63.5	-96.3	0	0	0	111.6	V99 Q100 Q329	V99-N102 CarbonylContact O-C 3.55Å; V99-N102 WeakPolarHBondContact O-CA 3.3Å; V99-N102 PolarHBondContact O-N 3.45Å; Q100-N102 PolarHBondContact O-N 3.16Å; Q100-N102 PolarHBondContact O-ND2 3.04Å; N102-Q329 PolarHBondContact O-NE2 3.37Å
103	E	84.1	Confident	83.3	Confident	3 Å²	3	29 Å²	29	1%	0.014	15%	0.154	C	C	.	.			trans	-60.7	147.8	179.8	-53.8	82.8	178.4	0	0	111.7	W65 E98 V99 Q100 G101 F107 R108 L115 Q329	W65-E103 PolarHBondContact NE1-OE1 2.85Å; W65-E103 VanDerWaalsContact NE1-OE1 3.12Å; E98-E103 WeakPolarHBondContact OE2-CA 3.34Å; V99-E103 PolarHBondContact O-N 3.33Å; Q100-E103 WeakPolarHBondContact CA-OE1 3.49Å; G101-E103 WeakPolarHBondContact CA-OE2 3.23Å; G101-E103 VanDerWaalsContact N-CD 3.33Å; G101-E103 PolarHBondContact N-OE1 3.35Å; G101-E103 PolarHBondContact N-OE2 3.48Å; E103-F107 HydrophobicContact CB-CB 4.41Å; E103-F107 HydrophobicContact CB-CD1 3.7Å; E103-F107 HydrophobicContact CB-CE1 4.43Å; E103-F107 HydrophobicContact CB-CG 4.37Å; E103-F107 HydrophobicContact CG-CD1 3.73Å; E103-F107 HydrophobicContact CG-CE1 3.94Å; E103-R108 HydrophobicContact CB-CG 4Å; E103-R108 PolarHBondContact O-NE 3.34Å; E103-R108 PolarHBondContact O-NH1 2.95Å; E103-R108 PolarHBondContact O-NH2 3.45Å; E103-R108 IonicContact OE2-CZ 2.77Å; E103-R108 IonicContact OE2-NE 3.47Å; E103-R108 IonicContact OE2-NH2 3.26Å; E103-R108 PolarHBondContact OE2-NH2 3.18Å; E103-R108 VanDerWaalsContact OE2-NH2 3.09Å; E103-L115 HydrophobicContact CG-CD1 4.5Å; E103-Q329 PolarHBondContact O-NE2 2.99Å
104	S	79.1	Confident	82.3	Confident	4 Å²	4	29.4 Å²	29.4	3%	0.028	16%	0.158	C	C	.	.			trans	-64	151.2	173.5	74.8	0	0	0	0	111.1	E98 A106 F107 R108	E98-S104 WeakPolarHBondContact OE1-CB 3.42Å; E98-S104 PolarHBondContact OE1-OG 2.98Å; E98-S104 WeakPolarHBondContact OE2-CB 3.35Å; E98-S104 PolarHBondContact OE2-N 2.63Å; E98-S104 PolarHBondContact OE2-OG 3.34Å; S104-A106 PolarHBondContact O-N 2.9Å; S104-F107 PolarHBondContact O-N 2.62Å; S104-F107 VanDerWaalsContact O-N 3.16Å; S104-F107 PolarHBondContact OG-N 2.95Å; S104-F107 VanDerWaalsContact OG-N 3.14Å; S104-R108 WeakPolarHBondContact O-CG 3.48Å; S104-R108 PolarHBondContact O-N 2.82Å
105	E	74.2	Confident	81.9	Confident	66 Å²	66	29.3 Å²	29.3	31%	0.308	16%	0.157	S	C	.	.	H	α-helix	trans	-59.3	-33.2	174.7	-65.9	-55.2	142.2	0	0	111.4	R108 G109 N147 P637	E105-R108 PolarHBondContact O-N 2.91Å; E105-R108 IonicContact OE1-NH1 3.9Å; E105-R108 PolarHBondContact OE1-NH1 2.87Å; E105-R108 VanDerWaalsContact OE1-NH1 3.13Å; E105-G109 PolarHBondContact O-N 3.04Å; E105-N147 PolarHBondContact OE2-ND2 2.93Å; E105-P637 HydrophobicContact CB-CG 3.78Å; E105-P637 WeakPolarHBondContact O-CG 3.47Å
106	A	80.6	Confident	81.3	Confident	26 Å²	26	29.7 Å²	29.7	22%	0.215	16%	0.16	C	C	.	.	H	α-helix	trans	-61.1	-48.5	175.5	0	0	0	0	0	111.3	S104 R108 G109 Y110	S104-A106 PolarHBondContact O-N 2.9Å; A106-R108 PolarHBondContact O-N 3.18Å; A106-G109 PolarHBondContact O-N 3.16Å; A106-Y110 WeakPolarHBondContact O-CE1 3.45Å
107	F	86.1	Confident	80.9	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-61	-45.6	177.3	-178.9	-93.9	0	0	0	112.4	F40 I48 H63 W65 E98 E103 S104 G109 Y110 F111 L115	F40-F107 HydrophobicContact CE1-CZ 4.35Å; F40-F107 HydrophobicContact CE2-CZ 4.27Å; F40-F107 AromaticContact CZ-CZ 3.86Å; F40-F107 HydrophobicContact CZ-CZ 3.86Å; I48-F107 HydrophobicContact CB-CE2 4.46Å; I48-F107 HydrophobicContact CD1-CE2 3.63Å; I48-F107 HydrophobicContact CD1-CZ 4.23Å; I48-F107 HydrophobicContact CG1-CE2 3.83Å; H63-F107 HydrophobicContact CB-CD2 3.81Å; H63-F107 HydrophobicContact CB-CE2 4.2Å; H63-F107 AromaticContact CG-CD2 3.86Å; H63-F107 AromaticContact ND1-CD2 3.84Å; W65-F107 HydrophobicContact CB-CE2 4.22Å; W65-F107 HydrophobicContact CB-CZ 4.01Å; W65-F107 AromaticContact CD1-CE1 3.67Å; W65-F107 AromaticContact CD1-CZ 3.61Å; W65-F107 HydrophobicContact CG-CE1 4.46Å; W65-F107 AromaticContact CG-CZ 3.98Å; W65-F107 HydrophobicContact CG-CZ 3.98Å; E98-F107 HydrophobicContact CG-CB 4.09Å; E98-F107 HydrophobicContact CG-CD2 3.78Å; E98-F107 HydrophobicContact CG-CE2 4.36Å; E98-F107 HydrophobicContact CG-CG 3.94Å; E98-F107 WeakPolarHBondContact OE1-CB 3.46Å; E103-F107 HydrophobicContact CB-CB 4.41Å; E103-F107 HydrophobicContact CB-CD1 3.7Å; E103-F107 HydrophobicContact CB-CE1 4.43Å; E103-F107 HydrophobicContact CB-CG 4.37Å; E103-F107 HydrophobicContact CG-CD1 3.73Å; E103-F107 HydrophobicContact CG-CE1 3.94Å; S104-F107 PolarHBondContact O-N 2.62Å; S104-F107 VanDerWaalsContact O-N 3.16Å; S104-F107 PolarHBondContact OG-N 2.95Å; S104-F107 VanDerWaalsContact OG-N 3.14Å; F107-G109 VanDerWaalsContact C-N 3.28Å; F107-G109 PolarHBondContact O-N 3.48Å; F107-Y110 WeakPolarHBondContact O-CD2 3.16Å; F107-Y110 PolarHBondContact O-N 2.84Å; F107-F111 HydrophobicContact CD1-CE2 4.22Å; F107-F111 HydrophobicContact CD2-CE2 4.41Å; F107-F111 HydrophobicContact CE1-CD2 4.31Å; F107-F111 AromaticContact CE1-CE2 3.8Å; F107-F111 HydrophobicContact CE1-CE2 3.8Å; F107-F111 HydrophobicContact CE2-CE2 4.03Å; F107-F111 AromaticContact CZ-CE2 3.71Å; F107-F111 HydrophobicContact CZ-CE2 3.71Å; F107-F111 HydrophobicContact CZ-CZ 4.36Å; F107-F111 VanDerWaalsContact O-CD2 3.29Å; F107-F111 WeakPolarHBondContact O-CD2 3.43Å; F107-L115 HydrophobicContact CD1-CD1 4.41Å; F107-L115 HydrophobicContact CE1-CD1 4.14Å; F107-L115 HydrophobicContact CE1-CD2 3.99Å
108	R	80.4	Confident	80.4	Confident	48 Å²	48	30.6 Å²	30.6	18%	0.181	16%	0.164	C	C	.	.	H	α-helix	trans	-63.1	-37.1	178.3	-66.7	175.6	177.3	155.5	0.2	111.8	G101 E103 S104 E105 A106 Y110 F111 L115 N147	G101-R108 PolarHBondContact O-NH2 3.26Å; E103-R108 HydrophobicContact CB-CG 4Å; E103-R108 PolarHBondContact O-NE 3.34Å; E103-R108 PolarHBondContact O-NH1 2.95Å; E103-R108 PolarHBondContact O-NH2 3.45Å; E103-R108 IonicContact OE2-CZ 2.77Å; E103-R108 IonicContact OE2-NE 3.47Å; E103-R108 IonicContact OE2-NH2 3.26Å; E103-R108 PolarHBondContact OE2-NH2 3.18Å; E103-R108 VanDerWaalsContact OE2-NH2 3.09Å; S104-R108 WeakPolarHBondContact O-CG 3.48Å; S104-R108 PolarHBondContact O-N 2.82Å; E105-R108 PolarHBondContact O-N 2.91Å; E105-R108 IonicContact OE1-NH1 3.9Å; E105-R108 PolarHBondContact OE1-NH1 2.87Å; E105-R108 VanDerWaalsContact OE1-NH1 3.13Å; A106-R108 PolarHBondContact O-N 3.18Å; R108-Y110 PolarHBondContact O-N 2.79Å; R108-Y110 VanDerWaalsContact O-N 3.16Å; R108-F111 CarbonylContact O-C 3.55Å; R108-F111 PolarHBondContact O-N 2.86Å; R108-L115 HydrophobicContact CG-CD1 4.27Å; R108-N147 HydrophobicContact CB-CB 3.91Å; R108-N147 VanDerWaalsContact CB-CG 3.5Å; R108-N147 WeakPolarHBondContact CB-ND2 3.46Å; R108-N147 HydrophobicContact CG-CB 4.29Å
109	G	76.3	Confident	79.9	Confident	6 Å²	6	35.1 Å²	35.1	6%	0.062	18%	0.184	C	C	.	.	H	α-helix	trans	-58.9	-24.6	177.9	0	0	0	0	0	114.6	E105 A106 F107 F111 K112	E105-G109 PolarHBondContact O-N 3.04Å; A106-G109 PolarHBondContact O-N 3.16Å; F107-G109 VanDerWaalsContact C-N 3.28Å; F107-G109 PolarHBondContact O-N 3.48Å; G109-F111 VanDerWaalsContact C-N 3.28Å; G109-F111 PolarHBondContact O-N 3.37Å; G109-K112 WeakPolarHBondContact O-CD 3.41Å; G109-K112 WeakPolarHBondContact O-CE 3.35Å
110	Y	83.1	Confident	79.5	Confident	37 Å²	37	35.2 Å²	35.2	15%	0.145	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-25.5	175.8	-54.6	-33.1	0	0	0	113.4	L19 A50 H52 H63 A106 F107 R108	L19-Y110 HydrophobicContact CD1-CD2 4.08Å; L19-Y110 HydrophobicContact CD1-CG 4.09Å; A50-Y110 HydrophobicContact CB-CD1 4.48Å; A50-Y110 HydrophobicContact CB-CE1 3.9Å; A50-Y110 HydrophobicContact CB-CE2 3.94Å; H52-Y110 AromaticContact CE1-CE1 3.83Å; H52-Y110 AromaticContact NE2-CE1 3.89Å; H63-Y110 AromaticContact CD2-CE2 3.65Å; H63-Y110 AromaticContact CE1-CE2 3.77Å; H63-Y110 AromaticContact NE2-CE2 3.31Å; H63-Y110 VanDerWaalsContact NE2-CE2 3.31Å; H63-Y110 WeakPolarHBondContact NE2-CE2 3.26Å; H63-Y110 AromaticContact NE2-CZ 3.6Å; H63-Y110 PolarHBondContact NE2-OH 2.81Å; A106-Y110 WeakPolarHBondContact O-CE1 3.45Å; F107-Y110 WeakPolarHBondContact O-CD2 3.16Å; F107-Y110 PolarHBondContact O-N 2.84Å; R108-Y110 PolarHBondContact O-N 2.79Å; R108-Y110 VanDerWaalsContact O-N 3.16Å
111	F	82.6	Confident	79.2	Confident	7 Å²	7	33.5 Å²	33.5	3%	0.031	18%	0.181	C	C	.	.			trans	-111.1	74	-177.9	-50.2	-76.2	0	0	0	107.9	L19 I21 F40 F107 R108 G109 Q113 G114 L115	L19-F111 HydrophobicContact CD2-CE1 3.79Å; L19-F111 HydrophobicContact CD2-CZ 4.04Å; I21-F111 HydrophobicContact CD1-CE1 3.7Å; I21-F111 HydrophobicContact CD1-CZ 3.81Å; F40-F111 HydrophobicContact CE2-CE1 4.26Å; F40-F111 HydrophobicContact CE2-CE2 4.17Å; F40-F111 AromaticContact CE2-CZ 3.94Å; F40-F111 HydrophobicContact CE2-CZ 3.94Å; F40-F111 HydrophobicContact CZ-CE1 4.17Å; F40-F111 HydrophobicContact CZ-CE2 4.08Å; F40-F111 AromaticContact CZ-CZ 3.61Å; F40-F111 HydrophobicContact CZ-CZ 3.61Å; F107-F111 HydrophobicContact CD1-CE2 4.22Å; F107-F111 HydrophobicContact CD2-CE2 4.41Å; F107-F111 HydrophobicContact CE1-CD2 4.31Å; F107-F111 AromaticContact CE1-CE2 3.8Å; F107-F111 HydrophobicContact CE1-CE2 3.8Å; F107-F111 HydrophobicContact CE2-CE2 4.03Å; F107-F111 AromaticContact CZ-CE2 3.71Å; F107-F111 HydrophobicContact CZ-CE2 3.71Å; F107-F111 HydrophobicContact CZ-CZ 4.36Å; F107-F111 VanDerWaalsContact O-CD2 3.29Å; F107-F111 WeakPolarHBondContact O-CD2 3.43Å; R108-F111 CarbonylContact O-C 3.55Å; R108-F111 PolarHBondContact O-N 2.86Å; G109-F111 VanDerWaalsContact C-N 3.28Å; G109-F111 PolarHBondContact O-N 3.37Å; F111-Q113 PolarHBondContact O-N 2.84Å; F111-G114 VanDerWaalsContact O-CA 3.26Å; F111-G114 WeakPolarHBondContact O-CA 2.9Å; F111-G114 PolarHBondContact O-N 3.27Å; F111-L115 HydrophobicContact CB-CD2 4.04Å; F111-L115 HydrophobicContact CB-CG 4.44Å; F111-L115 HydrophobicContact CD1-CD2 4.48Å; F111-L115 HydrophobicContact CD2-CD2 3.36Å; F111-L115 HydrophobicContact CD2-CG 4.31Å; F111-L115 HydrophobicContact CE2-CD2 3.89Å; F111-L115 HydrophobicContact CG-CD2 3.69Å
112	K	68.6	Low	79.3	Confident	75 Å²	75	33 Å²	33	33%	0.326	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-26.2	179.2	-63.7	-66.4	-174.3	171.5	0	112.7	G109 G114 D638 D643	G109-K112 WeakPolarHBondContact O-CD 3.41Å; G109-K112 WeakPolarHBondContact O-CE 3.35Å; K112-G114 VanDerWaalsContact C-N 3.26Å; K112-D638 PolarHBondContact NZ-O 3.48Å; K112-D643 IonicContact NZ-OD1 3.32Å; K112-D643 PolarHBondContact NZ-OD1 3.2Å; K112-D643 IonicContact NZ-OD2 2.72Å; K112-D643 PolarHBondContact NZ-OD2 3.38Å
113	Q	67.1	Low	78.8	Confident	113 Å²	113	34.5 Å²	34.5	53%	0.528	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-23.9	167.9	-64.1	82.6	17.8	0	0	110.6	F111 R189	F111-Q113 PolarHBondContact O-N 2.84Å; Q113-R189 VanDerWaalsContact C-CZ 3.48Å; Q113-R189 VanDerWaalsContact O-CD 3.23Å; Q113-R189 WeakPolarHBondContact O-CD 3.36Å; Q113-R189 PolarHBondContact O-NE 3.21Å; Q113-R189 PolarHBondContact O-NH1 3.16Å; Q113-R189 PolarHBondContact O-NH2 3.44Å
114	G	68.2	Low	78.2	Confident	9 Å²	9	37.6 Å²	37.6	9%	0.093	21%	0.212	C	C	.	.			trans	103.8	170.8	-178.7	0	0	0	0	0	111.9	F111 K112 V148	F111-G114 VanDerWaalsContact O-CA 3.26Å; F111-G114 WeakPolarHBondContact O-CA 2.9Å; F111-G114 PolarHBondContact O-N 3.27Å; K112-G114 VanDerWaalsContact C-N 3.26Å; G114-V148 WeakPolarHBondContact CA-O 3.35Å
115	L	80.1	Confident	77.7	Confident	4 Å²	4	40.3 Å²	40.3	2%	0.021	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	134	-171.7	-67.1	167.3	0	0	0	110.4	G38 F40 E103 F107 R108 F111 V148 V149 A150	G38-L115 CarbonylContact O-C 3.34Å; G38-L115 WeakPolarHBondContact O-CA 3.38Å; F40-L115 HydrophobicContact CD2-CD2 3.9Å; F40-L115 HydrophobicContact CE2-CD2 3.48Å; F40-L115 VanDerWaalsContact CE2-CD2 3.48Å; E103-L115 HydrophobicContact CG-CD1 4.5Å; F107-L115 HydrophobicContact CD1-CD1 4.41Å; F107-L115 HydrophobicContact CE1-CD1 4.14Å; F107-L115 HydrophobicContact CE1-CD2 3.99Å; R108-L115 HydrophobicContact CG-CD1 4.27Å; F111-L115 HydrophobicContact CB-CD2 4.04Å; F111-L115 HydrophobicContact CB-CG 4.44Å; F111-L115 HydrophobicContact CD1-CD2 4.48Å; F111-L115 HydrophobicContact CD2-CD2 3.36Å; F111-L115 HydrophobicContact CD2-CG 4.31Å; F111-L115 HydrophobicContact CE2-CD2 3.89Å; F111-L115 HydrophobicContact CG-CD2 3.69Å; L115-V148 PolarHBondContact N-O 2.97Å; L115-V149 HydrophobicContact CB-CG1 4.16Å; L115-V149 HydrophobicContact CB-CG2 4.22Å; L115-V149 HydrophobicContact CD1-CG2 4.43Å; L115-V149 CarbonylContact O-C 3.51Å; L115-V149 WeakPolarHBondContact O-CA 2.97Å; L115-A150 PolarHBondContact O-N 2.85Å
116	V	81.3	Confident	77.4	Confident	17 Å²	17	41.6 Å²	41.6	10%	0.103	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	109.2	174	-177.1	0	0	0	0	109.4	G38 S39 F40 R118 A150 L193	G38-V116 PolarHBondContact O-N 2.99Å; S39-V116 CarbonylContact C-O 3.17Å; S39-V116 VanDerWaalsContact CA-O 3.3Å; S39-V116 WeakPolarHBondContact CA-O 3.43Å; S39-V116 PolarHBondContact OG-O 2.68Å; F40-V116 PolarHBondContact N-O 3.03Å; V116-R118 HydrophobicContact CG1-CG 4.44Å; V116-A150 CarbonylContact C-O 3.57Å; V116-A150 VanDerWaalsContact CA-O 3.26Å; V116-A150 WeakPolarHBondContact CA-O 3.13Å; V116-A150 HydrophobicContact CG2-CB 4.36Å; V116-L193 HydrophobicContact CG2-CD1 3.91Å
117	I	83.3	Confident	76.6	Confident	11 Å²	11	45.9 Å²	45.9	6%	0.056	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	116	178	-49.8	-55.8	0	0	0	109.8	F40 D42 W65 V149 A150 E152	F40-I117 HydrophobicContact CB-CD1 3.97Å; F40-I117 CarbonylContact O-C 3.52Å; F40-I117 WeakPolarHBondContact O-CA 3.16Å; D42-I117 HydrophobicContact CB-CG2 3.94Å; W65-I117 HydrophobicContact CH2-CD1 4.19Å; W65-I117 HydrophobicContact CZ2-CD1 3.7Å; I117-V149 HydrophobicContact CG1-CG1 4.09Å; I117-A150 PolarHBondContact N-O 3.34Å; I117-E152 PolarHBondContact O-N 2.96Å
118	R	82.6	Confident	75.2	Confident	38 Å²	38	48 Å²	48	14%	0.143	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	146.4	178.9	-59.6	-174.2	-171.9	-130.5	-7.9	110.4	S39 F40 F41 D42 V116 E201	S39-R118 PolarHBondContact OG-NE 2.91Å; F40-R118 PolarHBondContact O-N 2.83Å; F41-R118 WeakPolarHBondContact CA-O 3.45Å; F41-R118 HydrophobicContact CD1-CB 3.59Å; F41-R118 HydrophobicContact CE1-CB 3.62Å; F41-R118 HydrophobicContact CE1-CG 4.41Å; F41-R118 HydrophobicContact CG-CB 4.4Å; F41-R118 HydrophobicContact CZ-CB 4.44Å; D42-R118 PolarHBondContact N-O 2.93Å; V116-R118 HydrophobicContact CG1-CG 4.44Å; R118-E201 IonicContact CZ-OE1 3.55Å; R118-E201 IonicContact NH1-OE1 2.92Å; R118-E201 PolarHBondContact NH1-OE1 2.98Å; R118-E201 IonicContact NH2-OE1 3.77Å; R118-E201 PolarHBondContact NH2-OE1 3.48Å
119	K	81.5	Confident	74	Confident	97 Å²	97	48.2 Å²	48.2	42%	0.422	28%	0.283	S	S	.	.	S	Bend	trans	-75.1	140.3	172.6	-82.2	-80	167.4	-156.4	0	111.2	D42 D69 E152	D42-K119 WeakPolarHBondContact OD1-CA 3.43Å; D42-K119 WeakPolarHBondContact OD2-CD 3.48Å; D42-K119 WeakPolarHBondContact OD2-CE 3.37Å; D42-K119 IonicContact OD2-NZ 3.45Å; D42-K119 PolarHBondContact OD2-NZ 2.85Å; D69-K119 IonicContact OD2-NZ 3.68Å; D69-K119 PolarHBondContact OD2-NZ 2.8Å; D69-K119 VanDerWaalsContact OD2-NZ 3.08Å; K119-E152 HydrophobicContact CG-CB 4.14Å; K119-E152 HydrophobicContact CG-CG 4.23Å; K119-E152 PolarHBondContact N-OE2 3.49Å; K119-E152 VanDerWaalsContact N-OE2 3.16Å
120	G	82.8	Confident	72.9	Confident	20 Å²	20	55.7 Å²	55.7	21%	0.206	32%	0.316	C	S	.	.			trans	103.9	-162.3	174.7	0	0	0	0	0	113.1	F41 D42 G43 S124	F41-G120 WeakPolarHBondContact CB-O 3.43Å; D42-G120 PolarHBondContact OD1-N 3.33Å; G43-G120 VanDerWaalsContact CA-O 3.26Å; G43-G120 WeakPolarHBondContact CA-O 3.34Å; G43-G120 PolarHBondContact N-O 3.04Å; G120-S124 WeakPolarHBondContact CA-OG 3.06Å
121	G	82.3	Confident	71	Confident	2 Å²	2	58.5 Å²	58.5	2%	0.021	34%	0.338	C	S	.	.			trans	170.3	-159.8	-178.1	0	0	0	0	0	113.5	D44 A123 S124 G125 M126	D44-G121 VanDerWaalsContact OD1-CA 3.23Å; D44-G121 WeakPolarHBondContact OD1-CA 3.41Å; D44-G121 VanDerWaalsContact OD2-CA 3.26Å; D44-G121 WeakPolarHBondContact OD2-CA 3.43Å; G121-A123 VanDerWaalsContact C-N 3.32Å; G121-A123 PolarHBondContact O-N 3.06Å; G121-S124 PolarHBondContact N-OG 2.95Å; G121-S124 PolarHBondContact O-N 2.76Å; G121-S124 PolarHBondContact O-OG 3.16Å; G121-G125 PolarHBondContact O-N 2.64Å; G121-M126 PolarHBondContact O-N 3.18Å
122	V	79.7	Confident	69.4	Low	40 Å²	40	62.7 Å²	62.7	24%	0.242	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-42.2	179.6	176.8	0	0	0	0	110.5	E25 D44 S124 G125	E25-V122 HydrophobicContact CB-CG2 4.04Å; E25-V122 HydrophobicContact CG-CG2 3.74Å; D44-V122 WeakPolarHBondContact OD1-CG2 3.32Å; D44-V122 PolarHBondContact OD1-N 3.03Å; V122-S124 PolarHBondContact O-N 2.69Å; V122-G125 PolarHBondContact O-N 2.67Å
123	A	71.4	Confident	68.8	Low	102 Å²	102	60.9 Å²	60.9	84%	0.843	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-29.1	178.1	0	0	0	0	0	113.3	G121	G121-A123 VanDerWaalsContact C-N 3.32Å; G121-A123 PolarHBondContact O-N 3.06Å
124	S	70.4	Confident	68.3	Low	68 Å²	68	59.5 Å²	59.5	48%	0.476	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	5.4	175.8	69.2	0	0	0	0	113.4	G120 G121 V122	G120-S124 WeakPolarHBondContact CA-OG 3.06Å; G121-S124 PolarHBondContact N-OG 2.95Å; G121-S124 PolarHBondContact O-N 2.76Å; G121-S124 PolarHBondContact O-OG 3.16Å; V122-S124 PolarHBondContact O-N 2.69Å
125	G	68.6	Low	68.1	Low	60 Å²	60	67.2 Å²	67.2	62%	0.619	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.2	15.2	178.6	0	0	0	0	0	115.2	G121 V122	G121-G125 PolarHBondContact O-N 2.64Å; V122-G125 PolarHBondContact O-N 2.67Å
126	M	68.1	Low	67.7	Low	94 Å²	94	68.3 Å²	68.3	46%	0.463	39%	0.394	S	S	.	.			trans	-88.5	129.4	-179.5	-66.3	-159.7	-173	0	0	111.7	R23 F41 G121	R23-M126 PolarHBondContact NH1-O 3.22Å; R23-M126 PolarHBondContact NH2-O 3.33Å; F41-M126 HydrophobicContact CE1-CB 4.15Å; F41-M126 HydrophobicContact CE1-SD 4.11Å; F41-M126 HydrophobicContact CZ-CB 4.17Å; G121-M126 PolarHBondContact O-N 3.18Å
127	N	64.5	Low	67.7	Low	116 Å²	116	73.6 Å²	73.6	62%	0.62	42%	0.417	S	S	*	.			trans	-108.6	167.5	175	-68.1	-32.9	0	0	0	111.1	V129	N127-V129 PolarHBondContact O-N 2.81Å
128	H	57.6	Low	67.8	Low	43 Å²	43	73.9 Å²	73.9	20%	0.199	42%	0.418	C	S	.	.	S	Bend	trans	-68.1	116.5	175.3	-84.4	42.2	0	0	0	111.8	T36 F41 Y46	T36-H128 PolarHBondContact OG1-CD2 3.36Å; F41-H128 AromaticContact CD2-CE1 3.83Å; F41-H128 AromaticContact CE2-CE1 3.81Å; F41-H128 AromaticContact CE2-ND1 3.67Å; Y46-H128 PolarHBondContact OH-CE1 3.27Å
129	V	53.8	Low	67.9	Low	53 Å²	53	72.1 Å²	72.1	32%	0.321	41%	0.411	S	S	.	.			trans	49.2	106.6	167.9	-172.6	0	0	0	0	116.5	T36 N127 T131	T36-V129 HydrophobicContact CG2-CG2 3.53Å; N127-V129 PolarHBondContact O-N 2.81Å; V129-T131 HydrophobicContact CG1-CG2 4.12Å
130	E	52.7	Low	67.8	Low	163 Å²	163	67.6 Å²	67.6	76%	0.762	39%	0.391	S	S	*	.			trans	-82.9	109.8	152.7	-67.2	-174.5	169.1	0	0	109.3
131	T	44.2	Very low	67.8	Low	97 Å²	97	68.5 Å²	68.5	60%	0.595	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	130.5	170.7	43.7	0	0	0	0	110.4	V129	V129-T131 HydrophobicContact CG1-CG2 4.12Å
132	N	49.7	Very low	67.6	Low	94 Å²	94	68.4 Å²	68.4	50%	0.503	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.1	23.9	-179.7	-50	-57.8	0	0	0	117.9	Y134	N132-Y134 WeakPolarHBondContact O-CD2 3.43Å; N132-Y134 PolarHBondContact O-N 2.97Å
133	S	54.8	Low	67.3	Low	37 Å²	37	68.9 Å²	68.9	26%	0.259	39%	0.388	S	S	.	.			trans	-75.8	114.6	166.4	54.1	0	0	0	0	110.6	V136 R202	S133-V136 WeakPolarHBondContact OG-CG2 3.4Å; S133-R202 PolarHBondContact O-NE 3.39Å
134	Y	57.4	Low	66.7	Low	84 Å²	84	64.5 Å²	64.5	33%	0.329	35%	0.353	S	S	.	.			trans	-95.4	-12.6	172.5	-69.8	-81.4	0	0	0	112.5	N132 V136 K172	N132-Y134 WeakPolarHBondContact O-CD2 3.43Å; N132-Y134 PolarHBondContact O-N 2.97Å; Y134-V136 PolarHBondContact O-N 3.06Å; Y134-V136 VanDerWaalsContact O-N 3.15Å; Y134-K172 HydrophobicContact CD1-CG 3.93Å; Y134-K172 HydrophobicContact CE1-CG 4.45Å
135	D	64.2	Low	66.1	Low	171 Å²	171	62.7 Å²	62.7	91%	0.914	34%	0.336	S	S	*	.			trans	-88.2	51.9	176.5	-64.4	-29	0	0	0	111.1
136	V	70.4	Confident	65.4	Low	28 Å²	28	61.7 Å²	61.7	17%	0.17	31%	0.314	C	S	.	.			trans	-112.6	126.1	179	-177.7	0	0	0	0	108.9	S133 Y134 R138 L170 G171	S133-V136 WeakPolarHBondContact OG-CG2 3.4Å; Y134-V136 PolarHBondContact O-N 3.06Å; Y134-V136 VanDerWaalsContact O-N 3.15Å; V136-R138 HydrophobicContact CG1-CG 4.07Å; V136-L170 CarbonylContact O-C 3.51Å; V136-L170 VanDerWaalsContact O-CA 3.28Å; V136-L170 WeakPolarHBondContact O-CA 3.43Å; V136-G171 PolarHBondContact O-N 2.85Å
137	Q	82	Confident	64.9	Low	128 Å²	128	58.6 Å²	58.6	60%	0.598	30%	0.299	S	S	*	.			trans	-132	112.1	168.9	-65.7	-173.4	6.1	0	0	108.4	M155 D169 L170	Q137-M155 HydrophobicContact CB-CE 3.76Å; Q137-M155 HydrophobicContact CB-SD 3.83Å; Q137-D169 WeakPolarHBondContact CA-O 3.39Å; Q137-L170 HydrophobicContact CG-CD2 4.31Å
138	R	84.5	Confident	64.8	Low	17 Å²	17	53.6 Å²	53.6	6%	0.064	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	157.4	177.9	62.5	-176.1	174.4	-179.1	-2.8	111.3	V136 E152 D169 E201	V136-R138 HydrophobicContact CG1-CG 4.07Å; R138-E152 HydrophobicContact CB-CG 4.3Å; R138-E152 WeakPolarHBondContact CB-OE1 3.48Å; R138-D169 HydrophobicContact CG-CB 3.87Å; R138-D169 IonicContact CZ-OD2 3.57Å; R138-D169 VanDerWaalsContact CZ-OD2 3.3Å; R138-D169 PolarHBondContact N-O 2.66Å; R138-D169 IonicContact NE-OD2 2.73Å; R138-D169 PolarHBondContact NE-OD2 2.58Å; R138-D169 IonicContact NH2-OD2 3.09Å; R138-D169 PolarHBondContact NH2-OD2 2.75Å; R138-D169 PolarHBondContact O-N 2.71Å; R138-E201 IonicContact CZ-OE2 3.83Å; R138-E201 IonicContact NH1-OE2 3.13Å; R138-E201 IonicContact NH2-OE1 3.79Å; R138-E201 IonicContact NH2-OE2 2.81Å; R138-E201 PolarHBondContact NH2-OE2 3.49Å
139	L	84.6	Confident	65.1	Low	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	123.6	173.3	-178.7	65	0	0	0	108.8	E152 V153 E154 M155 F160 F166 L168 L230	L139-E152 WeakPolarHBondContact O-CA 3.44Å; L139-V153 HydrophobicContact CB-CG2 4.08Å; L139-V153 HydrophobicContact CD2-CG2 3.74Å; L139-V153 HydrophobicContact CG-CG2 3.67Å; L139-V153 WeakPolarHBondContact O-CG2 3.41Å; L139-V153 PolarHBondContact O-N 3.26Å; L139-E154 WeakPolarHBondContact CD2-O 3.16Å; L139-M155 HydrophobicContact CB-CG 3.96Å; L139-F160 HydrophobicContact CD1-CE2 4.03Å; L139-F160 HydrophobicContact CD1-CZ 3.77Å; L139-F160 HydrophobicContact CD2-CD2 4.16Å; L139-F160 HydrophobicContact CD2-CE2 3.46Å; L139-F160 VanDerWaalsContact CD2-CE2 3.46Å; L139-F160 HydrophobicContact CD2-CZ 4.08Å; L139-F160 HydrophobicContact CG-CE2 4.41Å; L139-F166 HydrophobicContact CD1-CB 4.19Å; L139-L168 HydrophobicContact CD1-CB 4.14Å; L139-L168 HydrophobicContact CD1-CD1 4.29Å; L139-L230 HydrophobicContact CD2-CD2 4.46Å
140	L	80.6	Confident	66	Low	2 Å²	2	51 Å²	51	1%	0.01	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	126.6	175	-55.6	172.9	0	0	0	109.1	G151 E152 F166 L167 L193 I197	L140-G151 CarbonylContact C-O 3.5Å; L140-G151 WeakPolarHBondContact CA-O 3.38Å; L140-E152 HydrophobicContact CD2-CB 4.11Å; L140-F166 CarbonylContact O-C 3.59Å; L140-F166 VanDerWaalsContact O-CA 3.27Å; L140-F166 WeakPolarHBondContact O-CA 3.38Å; L140-L167 HydrophobicContact CB-CB 4.18Å; L140-L167 HydrophobicContact CD1-CB 4.47Å; L140-L167 HydrophobicContact CD1-CD1 4.48Å; L140-L167 PolarHBondContact N-O 2.95Å; L140-L167 PolarHBondContact O-N 2.87Å; L140-L193 HydrophobicContact CD1-CD2 4.38Å; L140-I197 HydrophobicContact CD1-CD1 3.76Å
141	H	82.4	Confident	66.8	Low	39 Å²	39	44.2 Å²	44.2	18%	0.181	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	111.7	170.6	178.4	-159.3	0	0	0	108.6	A150 G151 V153 D164 F166	H141-A150 CarbonylContact O-C 3.57Å; H141-A150 VanDerWaalsContact O-CA 3.28Å; H141-A150 WeakPolarHBondContact O-CA 3.49Å; H141-G151 PolarHBondContact N-O 2.66Å; H141-G151 PolarHBondContact O-N 2.93Å; H141-V153 HydrophobicContact CB-CB 4.45Å; H141-V153 HydrophobicContact CB-CG1 3.62Å; H141-V153 HydrophobicContact CB-CG2 3.93Å; H141-D164 IonicContact CD2-OD2 3.4Å; H141-D164 IonicContact CE1-OD2 2.76Å; H141-D164 PolarHBondContact CE1-OD2 3.13Å; H141-D164 VanDerWaalsContact CE1-OD2 3.31Å; H141-D164 WeakPolarHBondContact NE2-CB 3.4Å; H141-D164 IonicContact NE2-OD2 3.56Å; H141-D164 PolarHBondContact NE2-OD2 2.89Å; H141-F166 HydrophobicContact CB-CD1 4Å; H141-F166 HydrophobicContact CB-CE1 3.73Å; H141-F166 AromaticContact CD2-CD1 3.99Å; H141-F166 AromaticContact CD2-CE1 3.33Å; H141-F166 WeakPolarHBondContact CD2-CE1 3.48Å; H141-F166 AromaticContact CD2-CZ 3.36Å; H141-F166 WeakPolarHBondContact CD2-CZ 3.43Å; H141-F166 AromaticContact CG-CE1 3.54Å; H141-F166 AromaticContact CG-CZ 3.98Å; H141-F166 AromaticContact NE2-CZ 3.69Å
142	V	78.3	Confident	68.2	Low	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	106.8	178.7	-176.6	0	0	0	0	107.5	V148 A150 V165 L167 L193	V142-V148 HydrophobicContact CG1-CG1 3.29Å; V142-A150 HydrophobicContact CG2-CB 4.13Å; V142-V165 CarbonylContact C-O 3.05Å; V142-V165 WeakPolarHBondContact CA-O 3.35Å; V142-V165 HydrophobicContact CB-CB 4.11Å; V142-V165 HydrophobicContact CB-CG1 4.36Å; V142-V165 WeakPolarHBondContact CB-O 3.28Å; V142-V165 PolarHBondContact N-O 2.89Å; V142-V165 PolarHBondContact O-N 3.27Å; V142-V165 VanDerWaalsContact O-O 3.07Å; V142-L167 HydrophobicContact CG2-CD1 4.22Å; V142-L167 HydrophobicContact CG2-CG 4.01Å; V142-L193 HydrophobicContact CG2-CD2 4.2Å
143	K	73.2	Confident	69.6	Low	50 Å²	50	39.9 Å²	39.9	22%	0.217	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	144.2	-177.1	-177.6	174.2	-176.8	-168	0	111	V149 V240 D242	K143-V149 PolarHBondContact N-O 3.19Å; K143-V149 PolarHBondContact O-N 2.86Å; K143-V240 PolarHBondContact NZ-O 2.84Å; K143-D242 WeakPolarHBondContact CE-OD1 3.37Å; K143-D242 IonicContact NZ-OD1 3.63Å; K143-D242 PolarHBondContact NZ-OD1 3.06Å
144	G	59.6	Low	70.9	Confident	10 Å²	10	44.5 Å²	44.5	10%	0.103	22%	0.224	C	C	.	.			trans	126.2	147.1	166.9	0	0	0	0	0	109.9	V148 E186	G144-V148 WeakPolarHBondContact O-CG2 3.4Å; G144-E186 PolarHBondContact N-OE1 3.06Å; G144-E186 VanDerWaalsContact N-OE1 3.14Å; G144-E186 WeakPolarHBondContact O-CG 3.37Å
145	K	57.9	Low	72.2	Confident	31 Å²	31	43.8 Å²	43.8	14%	0.135	23%	0.225	C	C	.	.	S	Bend	trans	-76.9	-59.9	-177.9	-166.3	-173.8	174.8	-161.2	0	111.4	M185 E623 S625 D648	K145-M185 WeakPolarHBondContact O-CG 3.47Å; K145-E623 WeakPolarHBondContact CE-OE1 3.27Å; K145-E623 IonicContact NZ-OE1 3.91Å; K145-E623 PolarHBondContact NZ-OE1 2.85Å; K145-S625 PolarHBondContact NZ-OG 3.06Å; K145-D648 IonicContact NZ-OD1 3.5Å; K145-D648 IonicContact NZ-OD2 3.6Å; K145-D648 PolarHBondContact NZ-OD2 3.48Å
146	R	52.9	Low	73.2	Confident	39 Å²	39	36.7 Å²	36.7	15%	0.147	19%	0.188	C	C	.	.	S	Bend	trans	-99.7	-55.7	-170.9	-171.2	-167.4	-169.8	79.5	27.1	113.1	V148 E623 I636 D643	R146-V148 PolarHBondContact O-N 3.11Å; R146-E623 IonicContact CZ-OE2 2.7Å; R146-E623 IonicContact NH1-OE2 3.1Å; R146-E623 PolarHBondContact NH1-OE2 3.15Å; R146-I636 VanDerWaalsContact CZ-CG2 3.43Å; R146-D643 IonicContact CZ-OD1 3.7Å; R146-D643 IonicContact NE-OD1 3.65Å; R146-D643 VanDerWaalsContact NH2-CG 3.3Å; R146-D643 PolarHBondContact NH2-O 3.13Å; R146-D643 IonicContact NH2-OD1 2.98Å; R146-D643 PolarHBondContact NH2-OD1 3.27Å
147	N	58.2	Low	74	Confident	29 Å²	29	35.9 Å²	35.9	16%	0.155	18%	0.182	C	C	.	.	S	Bend	trans	-99.4	77.3	176.6	-64.5	-44.1	0	0	0	107.5	E105 R108 V149	E105-N147 PolarHBondContact OE2-ND2 2.93Å; R108-N147 HydrophobicContact CB-CB 3.91Å; R108-N147 VanDerWaalsContact CB-CG 3.5Å; R108-N147 WeakPolarHBondContact CB-ND2 3.46Å; R108-N147 HydrophobicContact CG-CB 4.29Å; N147-V149 PolarHBondContact O-N 2.78Å
148	V	61.3	Low	74.2	Confident	10 Å²	10	37.3 Å²	37.3	6%	0.061	19%	0.186	C	C	.	.			trans	-62.5	124.3	-177	-174.5	0	0	0	0	109.2	G114 L115 V142 G144 R146 R189	G114-V148 WeakPolarHBondContact CA-O 3.35Å; L115-V148 PolarHBondContact N-O 2.97Å; V142-V148 HydrophobicContact CG1-CG1 3.29Å; G144-V148 WeakPolarHBondContact O-CG2 3.4Å; R146-V148 PolarHBondContact O-N 3.11Å; V148-R189 HydrophobicContact CB-CB 4.21Å; V148-R189 HydrophobicContact CB-CG 3.68Å; V148-R189 HydrophobicContact CG1-CB 4.05Å; V148-R189 HydrophobicContact CG1-CG 3.6Å; V148-R189 HydrophobicContact CG2-CB 3.88Å; V148-R189 HydrophobicContact CG2-CG 3.89Å
149	V	64.1	Low	74.2	Confident	40 Å²	40	38 Å²	38	24%	0.242	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	129.5	175.6	-175.7	0	0	0	0	108.4	L115 I117 K143 N147	L115-V149 HydrophobicContact CB-CG1 4.16Å; L115-V149 HydrophobicContact CB-CG2 4.22Å; L115-V149 HydrophobicContact CD1-CG2 4.43Å; L115-V149 CarbonylContact O-C 3.51Å; L115-V149 WeakPolarHBondContact O-CA 2.97Å; I117-V149 HydrophobicContact CG1-CG1 4.09Å; K143-V149 PolarHBondContact N-O 3.19Å; K143-V149 PolarHBondContact O-N 2.86Å; N147-V149 PolarHBondContact O-N 2.78Å
150	A	72.8	Confident	74.3	Confident	3 Å²	3	38.1 Å²	38.1	3%	0.025	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	106.2	170.7	0	0	0	0	0	109.2	L115 V116 I117 H141 V142 L193	L115-A150 PolarHBondContact O-N 2.85Å; V116-A150 CarbonylContact C-O 3.57Å; V116-A150 VanDerWaalsContact CA-O 3.26Å; V116-A150 WeakPolarHBondContact CA-O 3.13Å; V116-A150 HydrophobicContact CG2-CB 4.36Å; I117-A150 PolarHBondContact N-O 3.34Å; H141-A150 CarbonylContact O-C 3.57Å; H141-A150 VanDerWaalsContact O-CA 3.28Å; H141-A150 WeakPolarHBondContact O-CA 3.49Å; V142-A150 HydrophobicContact CG2-CB 4.13Å; A150-L193 HydrophobicContact CB-CD2 3.3Å
151	G	69.9	Low	74.6	Confident	19 Å²	19	38.8 Å²	38.8	20%	0.196	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	139.9	178	0	0	0	0	0	111.9	L140 H141 V153	L140-G151 CarbonylContact C-O 3.5Å; L140-G151 WeakPolarHBondContact CA-O 3.38Å; H141-G151 PolarHBondContact N-O 2.66Å; H141-G151 PolarHBondContact O-N 2.93Å; G151-V153 PolarHBondContact O-N 3.35Å
152	E	74.3	Confident	74.8	Confident	57 Å²	57	42.5 Å²	42.5	27%	0.266	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	128.4	170.7	-169.8	171.1	179.3	0	0	111.3	I117 K119 R138 L139 L140	I117-E152 PolarHBondContact O-N 2.96Å; K119-E152 HydrophobicContact CG-CB 4.14Å; K119-E152 HydrophobicContact CG-CG 4.23Å; K119-E152 PolarHBondContact N-OE2 3.49Å; K119-E152 VanDerWaalsContact N-OE2 3.16Å; R138-E152 HydrophobicContact CB-CG 4.3Å; R138-E152 WeakPolarHBondContact CB-OE1 3.48Å; L139-E152 WeakPolarHBondContact O-CA 3.44Å; L140-E152 HydrophobicContact CD2-CB 4.11Å
153	V	79.1	Confident	74.9	Confident	44 Å²	44	42.9 Å²	42.9	27%	0.267	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	166.2	-176.8	-65.6	0	0	0	0	111.4	L139 H141 G151 M155	L139-V153 HydrophobicContact CB-CG2 4.08Å; L139-V153 HydrophobicContact CD2-CG2 3.74Å; L139-V153 HydrophobicContact CG-CG2 3.67Å; L139-V153 WeakPolarHBondContact O-CG2 3.41Å; L139-V153 PolarHBondContact O-N 3.26Å; H141-V153 HydrophobicContact CB-CB 4.45Å; H141-V153 HydrophobicContact CB-CG1 3.62Å; H141-V153 HydrophobicContact CB-CG2 3.93Å; G151-V153 PolarHBondContact O-N 3.35Å; V153-M155 PolarHBondContact O-N 3.39Å
154	E	80.8	Confident	75.5	Confident	134 Å²	134	40.8 Å²	40.8	63%	0.626	21%	0.205	S	C	*	.			trans	-56	130	176.3	-175.2	-174.1	175.5	0	0	110.8	L139 S156 S159	L139-E154 WeakPolarHBondContact CD2-O 3.16Å; E154-S156 PolarHBondContact O-N 2.86Å; E154-S159 WeakPolarHBondContact O-CB 3.49Å; E154-S159 PolarHBondContact O-OG 2.96Å
155	M	84.6	Confident	76.9	Confident	69 Å²	69	40.3 Å²	40.3	34%	0.34	20%	0.2	S	C	.	.	S	Bend	trans	-70.9	69.8	177.1	-67.7	-161.2	-67.1	0	0	112	Q137 L139 V153 L230	Q137-M155 HydrophobicContact CB-CE 3.76Å; Q137-M155 HydrophobicContact CB-SD 3.83Å; L139-M155 HydrophobicContact CB-CG 3.96Å; V153-M155 PolarHBondContact O-N 3.39Å; M155-L230 HydrophobicContact CB-CD2 4.15Å
156	S	85.4	Confident	78.5	Confident	21 Å²	21	38.9 Å²	38.9	15%	0.147	19%	0.194	C	C	.	.	S	Bend	trans	-147.8	148.8	-179.6	-174	0	0	0	0	110.9	E154 K158 S159 F160	E154-S156 PolarHBondContact O-N 2.86Å; S156-K158 PolarHBondContact O-N 2.83Å; S156-K158 PolarHBondContact OG-N 2.84Å; S156-S159 WeakPolarHBondContact O-CB 3.33Å; S156-S159 PolarHBondContact O-N 2.9Å; S156-S159 PolarHBondContact O-OG 3.06Å; S156-F160 WeakPolarHBondContact O-CD2 3.4Å
157	W	88.1	Confident	80.3	Confident	12 Å²	12	37 Å²	37	5%	0.045	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-56	-19.6	169.2	-73.6	113.8	0	0	0	113.8	S159 F160 M223 M226 N227 L230 G231	W157-S159 PolarHBondContact O-N 3.5Å; W157-F160 HydrophobicContact CE3-CB 4.31Å; W157-F160 HydrophobicContact CE3-CD1 4.18Å; W157-F160 AromaticContact CE3-CD2 3.82Å; W157-F160 HydrophobicContact CE3-CD2 3.82Å; W157-F160 HydrophobicContact CE3-CE1 4.45Å; W157-F160 HydrophobicContact CE3-CE2 4.12Å; W157-F160 AromaticContact CE3-CG 3.85Å; W157-F160 HydrophobicContact CE3-CG 3.85Å; W157-F160 HydrophobicContact CE3-CZ 4.43Å; W157-F160 AromaticContact CZ3-CD1 3.96Å; W157-F160 HydrophobicContact CZ3-CD1 3.96Å; W157-F160 HydrophobicContact CZ3-CD2 4.33Å; W157-F160 HydrophobicContact CZ3-CE1 4.01Å; W157-F160 HydrophobicContact CZ3-CE2 4.38Å; W157-F160 HydrophobicContact CZ3-CG 4.12Å; W157-F160 HydrophobicContact CZ3-CZ 4.23Å; W157-F160 PolarHBondContact O-N 3.37Å; W157-M223 HydrophobicContact CH2-CE 4.16Å; W157-M223 HydrophobicContact CZ2-CE 4.38Å; W157-M226 HydrophobicContact CH2-CB 4.24Å; W157-M226 HydrophobicContact CH2-CE 3.65Å; W157-M226 HydrophobicContact CH2-SD 4.28Å; W157-M226 HydrophobicContact CZ2-CB 3.91Å; W157-M226 HydrophobicContact CZ2-CE 4.37Å; W157-M226 HydrophobicContact CZ3-CE 4.14Å; W157-N227 PolarHBondContact NE1-OD1 2.9Å; W157-L230 HydrophobicContact CD2-CB 4.42Å; W157-L230 HydrophobicContact CD2-CD1 4.27Å; W157-L230 HydrophobicContact CG-CB 4.27Å; W157-L230 HydrophobicContact CH2-CD1 4.37Å; W157-L230 HydrophobicContact CZ2-CD1 4.09Å; W157-G231 PolarHBondContact NE1-O 3.34Å
158	K	85.8	Confident	81.9	Confident	157 Å²	157	35.7 Å²	35.7	68%	0.683	18%	0.18	S	C	*	.	G	3₁₀ helix	trans	-65.5	-23.1	175.3	-66.8	178.6	-177.7	172.3	0	113.8	S156	S156-K158 PolarHBondContact O-N 2.83Å; S156-K158 PolarHBondContact OG-N 2.84Å
159	S	83.5	Confident	83.1	Confident	31 Å²	31	35.2 Å²	35.2	22%	0.217	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-81.2	-22.3	178.4	-54.5	0	0	0	0	112.5	E154 S156 W157 F166	E154-S159 WeakPolarHBondContact O-CB 3.49Å; E154-S159 PolarHBondContact O-OG 2.96Å; S156-S159 WeakPolarHBondContact O-CB 3.33Å; S156-S159 PolarHBondContact O-N 2.9Å; S156-S159 PolarHBondContact O-OG 3.06Å; W157-S159 PolarHBondContact O-N 3.5Å; S159-F166 WeakPolarHBondContact O-CE1 3.38Å; S159-F166 WeakPolarHBondContact O-CZ 2.99Å
160	F	88.2	Confident	84.2	Confident	3 Å²	3	34.2 Å²	34.2	1%	0.013	17%	0.17	C	C	.	.			trans	-75.1	147.7	-177.6	-74.2	-108.7	0	0	0	111.8	L139 S156 W157 F166 W177 M226 L230 L236	L139-F160 HydrophobicContact CD1-CE2 4.03Å; L139-F160 HydrophobicContact CD1-CZ 3.77Å; L139-F160 HydrophobicContact CD2-CD2 4.16Å; L139-F160 HydrophobicContact CD2-CE2 3.46Å; L139-F160 VanDerWaalsContact CD2-CE2 3.46Å; L139-F160 HydrophobicContact CD2-CZ 4.08Å; L139-F160 HydrophobicContact CG-CE2 4.41Å; S156-F160 WeakPolarHBondContact O-CD2 3.4Å; W157-F160 HydrophobicContact CE3-CB 4.31Å; W157-F160 HydrophobicContact CE3-CD1 4.18Å; W157-F160 AromaticContact CE3-CD2 3.82Å; W157-F160 HydrophobicContact CE3-CD2 3.82Å; W157-F160 HydrophobicContact CE3-CE1 4.45Å; W157-F160 HydrophobicContact CE3-CE2 4.12Å; W157-F160 AromaticContact CE3-CG 3.85Å; W157-F160 HydrophobicContact CE3-CG 3.85Å; W157-F160 HydrophobicContact CE3-CZ 4.43Å; W157-F160 AromaticContact CZ3-CD1 3.96Å; W157-F160 HydrophobicContact CZ3-CD1 3.96Å; W157-F160 HydrophobicContact CZ3-CD2 4.33Å; W157-F160 HydrophobicContact CZ3-CE1 4.01Å; W157-F160 HydrophobicContact CZ3-CE2 4.38Å; W157-F160 HydrophobicContact CZ3-CG 4.12Å; W157-F160 HydrophobicContact CZ3-CZ 4.23Å; W157-F160 PolarHBondContact O-N 3.37Å; F160-F166 HydrophobicContact CB-CE2 4.43Å; F160-F166 HydrophobicContact CB-CZ 4.49Å; F160-F166 HydrophobicContact CD1-CB 4.12Å; F160-F166 HydrophobicContact CD1-CD1 4.32Å; F160-F166 AromaticContact CD1-CD2 3.69Å; F160-F166 HydrophobicContact CD1-CD2 3.69Å; F160-F166 HydrophobicContact CD1-CE2 4.2Å; F160-F166 AromaticContact CD1-CG 3.77Å; F160-F166 HydrophobicContact CD1-CG 3.77Å; F160-F166 HydrophobicContact CE1-CB 3.6Å; F160-F166 HydrophobicContact CE1-CD1 4.41Å; F160-F166 HydrophobicContact CE1-CD2 4.08Å; F160-F166 AromaticContact CE1-CG 3.77Å; F160-F166 HydrophobicContact CE1-CG 3.77Å; F160-F166 HydrophobicContact CG-CD1 4.47Å; F160-F166 HydrophobicContact CG-CD2 4.35Å; F160-F166 HydrophobicContact CG-CE2 4.49Å; F160-F166 HydrophobicContact CG-CG 4.35Å; F160-F166 HydrophobicContact CZ-CB 4.08Å; F160-F166 HydrophobicContact CZ-CG 4.35Å; F160-W177 AromaticContact CD1-CD2 3.85Å; F160-W177 HydrophobicContact CD1-CD2 3.85Å; F160-W177 AromaticContact CD1-CE3 3.57Å; F160-W177 HydrophobicContact CD1-CE3 3.57Å; F160-W177 HydrophobicContact CD1-CG 4.4Å; F160-W177 HydrophobicContact CD1-CH2 4.48Å; F160-W177 AromaticContact CD1-CZ3 3.9Å; F160-W177 HydrophobicContact CD1-CZ3 3.9Å; F160-W177 HydrophobicContact CE1-CB 4.02Å; F160-W177 AromaticContact CE1-CD2 3.88Å; F160-W177 HydrophobicContact CE1-CD2 3.88Å; F160-W177 AromaticContact CE1-CE3 3.88Å; F160-W177 HydrophobicContact CE1-CE3 3.88Å; F160-W177 AromaticContact CE1-CG 3.95Å; F160-W177 HydrophobicContact CE1-CG 3.95Å; F160-M226 HydrophobicContact CE1-CE 3.85Å; F160-M226 HydrophobicContact CZ-CE 3.77Å; F160-L230 HydrophobicContact CE2-CD1 3.59Å; F160-L230 HydrophobicContact CE2-CD2 4.42Å; F160-L230 HydrophobicContact CZ-CD1 3.67Å; F160-L236 HydrophobicContact CB-CD2 3.46Å; F160-L236 VanDerWaalsContact CB-CD2 3.46Å
161	N	86.6	Confident	84.7	Confident	16 Å²	16	34 Å²	34	9%	0.086	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-137.4	170.7	171.2	70.6	64	0	0	0	110.4	G163 D164 W177 K237	N161-G163 PolarHBondContact OD1-N 3.34Å; N161-D164 PolarHBondContact ND2-OD2 3.17Å; N161-D164 WeakPolarHBondContact OD1-CB 3.14Å; N161-D164 PolarHBondContact OD1-N 3.24Å; N161-D164 PolarHBondContact OD1-OD2 2.77Å; N161-W177 WeakPolarHBondContact O-CH2 3.38Å; N161-W177 VanDerWaalsContact O-CZ3 3.27Å; N161-W177 WeakPolarHBondContact O-CZ3 3.45Å; N161-K237 WeakPolarHBondContact CA-O 3.46Å; N161-K237 WeakPolarHBondContact CB-O 3.16Å
162	R	86.1	Confident	85.3	Confident	118 Å²	118	38.1 Å²	38.1	45%	0.445	18%	0.181	S	C	.	.	S	Bend	trans	-78.5	-19.5	-174.8	-71.1	176.4	140.4	-146.9	1.2	114.9	G179 P180 E181 L236 K237	R162-G179 CarbonylContact O-C 3.47Å; R162-G179 WeakPolarHBondContact O-CA 3.26Å; R162-P180 VanDerWaalsContact O-CD 3.29Å; R162-P180 WeakPolarHBondContact O-CD 3Å; R162-P180 VanDerWaalsContact O-N 3.13Å; R162-E181 HydrophobicContact CB-CG 4.4Å; R162-E181 IonicContact NH1-OE1 3Å; R162-E181 PolarHBondContact NH1-OE1 3.17Å; R162-E181 WeakPolarHBondContact O-CA 3.42Å; R162-E181 WeakPolarHBondContact O-CB 3.44Å; R162-E181 PolarHBondContact O-N 2.87Å; R162-L236 HydrophobicContact CG-CB 3.82Å; R162-L236 HydrophobicContact CG-CD1 4.24Å; R162-K237 PolarHBondContact N-O 3.28Å
163	G	81.1	Confident	85.9	Confident	7 Å²	7	35.5 Å²	35.5	7%	0.072	17%	0.169	C	C	.	.	S	Bend	trans	-107.1	-5.4	-170	0	0	0	0	0	115.6	N161 S182	N161-G163 PolarHBondContact OD1-N 3.34Å; G163-S182 WeakPolarHBondContact O-CA 3.31Å; G163-S182 WeakPolarHBondContact O-CB 3.28Å
164	D	85.5	Confident	86.4	Confident	7 Å²	7	33.4 Å²	33.4	4%	0.037	16%	0.156	C	C	.	.	S	Bend	trans	-118.1	172.6	-176	-56.1	-22.4	0	0	0	112	H141 N161 F166 G179	H141-D164 IonicContact CD2-OD2 3.4Å; H141-D164 IonicContact CE1-OD2 2.76Å; H141-D164 PolarHBondContact CE1-OD2 3.13Å; H141-D164 VanDerWaalsContact CE1-OD2 3.31Å; H141-D164 WeakPolarHBondContact NE2-CB 3.4Å; H141-D164 IonicContact NE2-OD2 3.56Å; H141-D164 PolarHBondContact NE2-OD2 2.89Å; N161-D164 PolarHBondContact ND2-OD2 3.17Å; N161-D164 WeakPolarHBondContact OD1-CB 3.14Å; N161-D164 PolarHBondContact OD1-N 3.24Å; N161-D164 PolarHBondContact OD1-OD2 2.77Å; D164-F166 HydrophobicContact CB-CE2 4.03Å; D164-F166 HydrophobicContact CB-CZ 4.39Å; D164-G179 WeakPolarHBondContact O-CA 3.37Å; D164-G179 PolarHBondContact O-N 3.36Å
165	V	89.6	Confident	86.9	Confident	0 Å²	0	27 Å²	27	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	144.3	178.1	175.7	0	0	0	0	110.1	V142 Q176 E186 R187	V142-V165 CarbonylContact C-O 3.05Å; V142-V165 WeakPolarHBondContact CA-O 3.35Å; V142-V165 HydrophobicContact CB-CB 4.11Å; V142-V165 HydrophobicContact CB-CG1 4.36Å; V142-V165 WeakPolarHBondContact CB-O 3.28Å; V142-V165 PolarHBondContact N-O 2.89Å; V142-V165 PolarHBondContact O-N 3.27Å; V142-V165 VanDerWaalsContact O-O 3.07Å; V165-Q176 HydrophobicContact CG1-CG 3.85Å; V165-E186 HydrophobicContact CB-CB 4.45Å; V165-E186 HydrophobicContact CG2-CB 3.81Å; V165-R187 HydrophobicContact CG2-CG 4Å
166	F	91.5	Very high	87.3	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	137.2	-179.2	-65.2	-96.5	0	0	0	110.7	L139 L140 H141 S159 F160 D164 Q176 W177	L139-F166 HydrophobicContact CD1-CB 4.19Å; L140-F166 CarbonylContact O-C 3.59Å; L140-F166 VanDerWaalsContact O-CA 3.27Å; L140-F166 WeakPolarHBondContact O-CA 3.38Å; H141-F166 HydrophobicContact CB-CD1 4Å; H141-F166 HydrophobicContact CB-CE1 3.73Å; H141-F166 AromaticContact CD2-CD1 3.99Å; H141-F166 AromaticContact CD2-CE1 3.33Å; H141-F166 WeakPolarHBondContact CD2-CE1 3.48Å; H141-F166 AromaticContact CD2-CZ 3.36Å; H141-F166 WeakPolarHBondContact CD2-CZ 3.43Å; H141-F166 AromaticContact CG-CE1 3.54Å; H141-F166 AromaticContact CG-CZ 3.98Å; H141-F166 AromaticContact NE2-CZ 3.69Å; S159-F166 WeakPolarHBondContact O-CE1 3.38Å; S159-F166 WeakPolarHBondContact O-CZ 2.99Å; F160-F166 HydrophobicContact CB-CE2 4.43Å; F160-F166 HydrophobicContact CB-CZ 4.49Å; F160-F166 HydrophobicContact CD1-CB 4.12Å; F160-F166 HydrophobicContact CD1-CD1 4.32Å; F160-F166 AromaticContact CD1-CD2 3.69Å; F160-F166 HydrophobicContact CD1-CD2 3.69Å; F160-F166 HydrophobicContact CD1-CE2 4.2Å; F160-F166 AromaticContact CD1-CG 3.77Å; F160-F166 HydrophobicContact CD1-CG 3.77Å; F160-F166 HydrophobicContact CE1-CB 3.6Å; F160-F166 HydrophobicContact CE1-CD1 4.41Å; F160-F166 HydrophobicContact CE1-CD2 4.08Å; F160-F166 AromaticContact CE1-CG 3.77Å; F160-F166 HydrophobicContact CE1-CG 3.77Å; F160-F166 HydrophobicContact CG-CD1 4.47Å; F160-F166 HydrophobicContact CG-CD2 4.35Å; F160-F166 HydrophobicContact CG-CE2 4.49Å; F160-F166 HydrophobicContact CG-CG 4.35Å; F160-F166 HydrophobicContact CZ-CB 4.08Å; F160-F166 HydrophobicContact CZ-CG 4.35Å; D164-F166 HydrophobicContact CB-CE2 4.03Å; D164-F166 HydrophobicContact CB-CZ 4.39Å; F166-Q176 CarbonylContact O-C 3.57Å; F166-Q176 WeakPolarHBondContact O-CA 3.4Å; F166-W177 AromaticContact CD2-CE3 3.77Å; F166-W177 HydrophobicContact CD2-CE3 3.77Å; F166-W177 AromaticContact CD2-CZ3 3.96Å; F166-W177 HydrophobicContact CD2-CZ3 3.96Å; F166-W177 HydrophobicContact CE2-CE3 4.5Å; F166-W177 HydrophobicContact CE2-CZ3 4.25Å; F166-W177 PolarHBondContact N-O 3.04Å; F166-W177 PolarHBondContact O-N 3.14Å
167	L	89.8	Confident	87.7	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	112.2	172.5	-55.4	179.7	0	0	0	109.7	L140 V142 I175 Q176 L193 A194 I197	L140-L167 HydrophobicContact CB-CB 4.18Å; L140-L167 HydrophobicContact CD1-CB 4.47Å; L140-L167 HydrophobicContact CD1-CD1 4.48Å; L140-L167 PolarHBondContact N-O 2.95Å; L140-L167 PolarHBondContact O-N 2.87Å; V142-L167 HydrophobicContact CG2-CD1 4.22Å; V142-L167 HydrophobicContact CG2-CG 4.01Å; L167-I175 WeakPolarHBondContact CA-O 3.44Å; L167-Q176 HydrophobicContact CD2-CB 3.54Å; L167-Q176 HydrophobicContact CD2-CG 3.74Å; L167-L193 HydrophobicContact CD1-CB 3.97Å; L167-L193 HydrophobicContact CD1-CD2 3.66Å; L167-L193 HydrophobicContact CD1-CG 3.7Å; L167-A194 HydrophobicContact CD1-CB 4.31Å; L167-A194 HydrophobicContact CD2-CB 4.23Å; L167-I197 HydrophobicContact CD1-CD1 4.45Å
168	L	91.2	Very high	87.9	Confident	1 Å²	1	22.2 Å²	22.2	1%	0.005	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	108.7	170.4	179.9	64	0	0	0	108.8	L139 L170 I174 I175 M226 L230	L139-L168 HydrophobicContact CD1-CB 4.14Å; L139-L168 HydrophobicContact CD1-CD1 4.29Å; L168-L170 HydrophobicContact CD1-CD2 3.95Å; L168-L170 HydrophobicContact CD2-CD1 4.22Å; L168-L170 HydrophobicContact CD2-CD2 4.34Å; L168-L170 HydrophobicContact CD2-CG 4.41Å; L168-L170 HydrophobicContact CG-CD1 4.38Å; L168-L170 HydrophobicContact CG-CD2 3.92Å; L168-L170 HydrophobicContact CG-CG 4.04Å; L168-I174 CarbonylContact O-C 3.57Å; L168-I174 WeakPolarHBondContact O-CA 3.29Å; L168-I175 HydrophobicContact CB-CB 4.32Å; L168-I175 HydrophobicContact CD2-CD1 4.46Å; L168-I175 PolarHBondContact N-O 3.22Å; L168-I175 PolarHBondContact O-N 2.81Å; L168-M226 HydrophobicContact CD2-CG 4.07Å; L168-L230 HydrophobicContact CD1-CD2 4.15Å; L168-L230 HydrophobicContact CD2-CD1 4.28Å; L168-L230 HydrophobicContact CD2-CG 4.36Å
169	D	87.9	Confident	88	Confident	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	114.1	-178.5	178	12.9	0	0	0	110.1	Q137 R138 G171 R202	Q137-D169 WeakPolarHBondContact CA-O 3.39Å; R138-D169 HydrophobicContact CG-CB 3.87Å; R138-D169 IonicContact CZ-OD2 3.57Å; R138-D169 VanDerWaalsContact CZ-OD2 3.3Å; R138-D169 PolarHBondContact N-O 2.66Å; R138-D169 IonicContact NE-OD2 2.73Å; R138-D169 PolarHBondContact NE-OD2 2.58Å; R138-D169 IonicContact NH2-OD2 3.09Å; R138-D169 PolarHBondContact NH2-OD2 2.75Å; R138-D169 PolarHBondContact O-N 2.71Å; D169-G171 PolarHBondContact OD1-N 2.88Å; D169-G171 VanDerWaalsContact OD1-N 3.14Å; D169-R202 VanDerWaalsContact CG-NH2 3.28Å; D169-R202 IonicContact OD1-CZ 2.63Å; D169-R202 IonicContact OD1-NH1 3.94Å; D169-R202 PolarHBondContact OD1-NH1 3.25Å; D169-R202 IonicContact OD1-NH2 2.72Å; D169-R202 PolarHBondContact OD1-NH2 3.45Å; D169-R202 IonicContact OD2-CZ 3.54Å; D169-R202 IonicContact OD2-NH1 2.77Å; D169-R202 IonicContact OD2-NH2 2.75Å; D169-R202 PolarHBondContact OD2-NH2 2.67Å
170	L	86.8	Confident	88.2	Confident	19 Å²	19	15.7 Å²	15.7	10%	0.099	7%	0.074	C	C	.	.			trans	-114.9	25.3	-177.6	-53.1	177	0	0	0	111.9	V136 Q137 L168 K172 L173 V225 V229 V745	V136-L170 CarbonylContact O-C 3.51Å; V136-L170 VanDerWaalsContact O-CA 3.28Å; V136-L170 WeakPolarHBondContact O-CA 3.43Å; Q137-L170 HydrophobicContact CG-CD2 4.31Å; L168-L170 HydrophobicContact CD1-CD2 3.95Å; L168-L170 HydrophobicContact CD2-CD1 4.22Å; L168-L170 HydrophobicContact CD2-CD2 4.34Å; L168-L170 HydrophobicContact CD2-CG 4.41Å; L168-L170 HydrophobicContact CG-CD1 4.38Å; L168-L170 HydrophobicContact CG-CD2 3.92Å; L168-L170 HydrophobicContact CG-CG 4.04Å; L170-K172 VanDerWaalsContact C-N 3.34Å; L170-K172 PolarHBondContact O-N 3.38Å; L170-L173 WeakPolarHBondContact CA-O 3.3Å; L170-L173 WeakPolarHBondContact CB-O 3.45Å; L170-L173 PolarHBondContact N-O 3.16Å; L170-V225 HydrophobicContact CD1-CG1 3.65Å; L170-V229 HydrophobicContact CD1-CG2 4.1Å; L170-V229 HydrophobicContact CD2-CG1 3.96Å; L170-V229 HydrophobicContact CD2-CG2 4.27Å; L170-V745 HydrophobicContact CD1-CG1 4.08Å
171	G	82.1	Confident	87.9	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.099	C	C	.	.	S	Bend	trans	81.3	-72.2	179	0	0	0	0	0	113.4	V136 D169 R202 T206	V136-G171 PolarHBondContact O-N 2.85Å; D169-G171 PolarHBondContact OD1-N 2.88Å; D169-G171 VanDerWaalsContact OD1-N 3.14Å; G171-R202 VanDerWaalsContact C-NH1 3.31Å; G171-R202 PolarHBondContact O-NH1 2.84Å; G171-T206 PolarHBondContact O-OG1 3.19Å
172	K	82.8	Confident	87.5	Confident	105 Å²	105	20.7 Å²	20.7	46%	0.457	10%	0.098	S	C	.	.	S	Bend	trans	-86.5	-18	179	-70.9	-176.8	176.9	178.5	0	113.8	Y134 L170 T206 Y207 E744	Y134-K172 HydrophobicContact CD1-CG 3.93Å; Y134-K172 HydrophobicContact CE1-CG 4.45Å; L170-K172 VanDerWaalsContact C-N 3.34Å; L170-K172 PolarHBondContact O-N 3.38Å; K172-T206 PolarHBondContact O-OG1 3.42Å; K172-Y207 WeakPolarHBondContact O-CD2 3.22Å; K172-Y207 PolarHBondContact O-N 3.28Å; K172-E744 IonicContact NZ-OE2 3.31Å; K172-E744 PolarHBondContact NZ-OE2 2.85Å; K172-E744 VanDerWaalsContact NZ-OE2 3.14Å
173	L	87.2	Confident	86.9	Confident	1 Å²	1	16.9 Å²	16.9	1%	0.005	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	131.2	-178.6	177.7	64.2	0	0	0	109.2	L170 I175 T206 Y207 L222 V225 W738 I741	L170-L173 WeakPolarHBondContact CA-O 3.3Å; L170-L173 WeakPolarHBondContact CB-O 3.45Å; L170-L173 PolarHBondContact N-O 3.16Å; L173-I175 HydrophobicContact CD1-CG1 4.38Å; L173-I175 HydrophobicContact CD2-CD1 3.88Å; L173-I175 HydrophobicContact CD2-CG1 3.9Å; L173-I175 HydrophobicContact CG-CD1 4.39Å; L173-I175 HydrophobicContact CG-CG1 3.86Å; L173-T206 PolarHBondContact N-OG1 2.97Å; L173-Y207 CarbonylContact C-O 3.51Å; L173-Y207 WeakPolarHBondContact CA-O 3.42Å; L173-L222 HydrophobicContact CD1-CD2 4.44Å; L173-L222 HydrophobicContact CD2-CD2 4.31Å; L173-V225 HydrophobicContact CD2-CG1 4.29Å; L173-W738 HydrophobicContact CD1-CE3 4.42Å; L173-W738 HydrophobicContact CD1-CH2 4.42Å; L173-W738 HydrophobicContact CD1-CZ3 3.68Å; L173-I741 HydrophobicContact CB-CG2 4.25Å; L173-I741 HydrophobicContact CD1-CG2 4.46Å; L173-I741 HydrophobicContact CD2-CG2 4.07Å
174	I	89.3	Confident	86.6	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	124.7	169.5	-58.3	170.7	0	0	0	106.7	L168 A194 I197 T206 Y207 V208 G209	L168-I174 CarbonylContact O-C 3.57Å; L168-I174 WeakPolarHBondContact O-CA 3.29Å; I174-A194 HydrophobicContact CG2-CB 4.02Å; I174-I197 HydrophobicContact CD1-CB 3.94Å; I174-I197 HydrophobicContact CD1-CG2 3.6Å; I174-T206 HydrophobicContact CD1-CG2 3.79Å; I174-T206 HydrophobicContact CG1-CG2 4.38Å; I174-Y207 PolarHBondContact N-O 3.23Å; I174-V208 HydrophobicContact CB-CG2 4.43Å; I174-V208 CarbonylContact O-C 3.55Å; I174-V208 WeakPolarHBondContact O-CA 3.35Å; I174-G209 PolarHBondContact O-N 3.5Å
175	I	91.9	Very high	85.7	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	114.6	176	-51.3	179.9	0	0	0	108.3	L167 L168 L173 G209 V211 L222 V225 M226	L167-I175 WeakPolarHBondContact CA-O 3.44Å; L168-I175 HydrophobicContact CB-CB 4.32Å; L168-I175 HydrophobicContact CD2-CD1 4.46Å; L168-I175 PolarHBondContact N-O 3.22Å; L168-I175 PolarHBondContact O-N 2.81Å; L173-I175 HydrophobicContact CD1-CG1 4.38Å; L173-I175 HydrophobicContact CD2-CD1 3.88Å; L173-I175 HydrophobicContact CD2-CG1 3.9Å; L173-I175 HydrophobicContact CG-CD1 4.39Å; L173-I175 HydrophobicContact CG-CG1 3.86Å; I175-G209 CarbonylContact C-O 3.56Å; I175-G209 WeakPolarHBondContact CA-O 3.46Å; I175-V211 HydrophobicContact CG2-CG2 3.87Å; I175-L222 HydrophobicContact CD1-CB 4.43Å; I175-L222 HydrophobicContact CD1-CD2 4.21Å; I175-L222 HydrophobicContact CG1-CD2 4.31Å; I175-V225 HydrophobicContact CD1-CB 4.18Å; I175-V225 HydrophobicContact CD1-CG1 4Å; I175-M226 HydrophobicContact CD1-CG 3.8Å; I175-M226 HydrophobicContact CG2-CG 4.26Å; I175-M226 HydrophobicContact CG2-SD 3.85Å
176	Q	93.2	Very high	85	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	117.5	166.1	177.6	173.7	-20.6	0	0	109.1	V165 F166 L167 N178 R187 G190 G209 V210 V211	V165-Q176 HydrophobicContact CG1-CG 3.85Å; F166-Q176 CarbonylContact O-C 3.57Å; F166-Q176 WeakPolarHBondContact O-CA 3.4Å; L167-Q176 HydrophobicContact CD2-CB 3.54Å; L167-Q176 HydrophobicContact CD2-CG 3.74Å; Q176-N178 WeakPolarHBondContact CG-OD1 3.4Å; Q176-N178 PolarHBondContact NE2-OD1 3.21Å; Q176-R187 PolarHBondContact NE2-O 3.37Å; Q176-G190 VanDerWaalsContact OE1-C 3.27Å; Q176-G209 PolarHBondContact N-O 3.2Å; Q176-V210 CarbonylContact O-C 3.48Å; Q176-V210 WeakPolarHBondContact O-CA 2.88Å; Q176-V211 PolarHBondContact O-N 3.28Å
177	W	93.8	Very high	84.7	Confident	1 Å²	1	27.4 Å²	27.4	0%	0.004	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	124.9	171.5	-176.2	94.6	0	0	0	109.1	F160 N161 F166 G179 V211 E216 M226 L236	F160-W177 AromaticContact CD1-CD2 3.85Å; F160-W177 HydrophobicContact CD1-CD2 3.85Å; F160-W177 AromaticContact CD1-CE3 3.57Å; F160-W177 HydrophobicContact CD1-CE3 3.57Å; F160-W177 HydrophobicContact CD1-CG 4.4Å; F160-W177 HydrophobicContact CD1-CH2 4.48Å; F160-W177 AromaticContact CD1-CZ3 3.9Å; F160-W177 HydrophobicContact CD1-CZ3 3.9Å; F160-W177 HydrophobicContact CE1-CB 4.02Å; F160-W177 AromaticContact CE1-CD2 3.88Å; F160-W177 HydrophobicContact CE1-CD2 3.88Å; F160-W177 AromaticContact CE1-CE3 3.88Å; F160-W177 HydrophobicContact CE1-CE3 3.88Å; F160-W177 AromaticContact CE1-CG 3.95Å; F160-W177 HydrophobicContact CE1-CG 3.95Å; N161-W177 WeakPolarHBondContact O-CH2 3.38Å; N161-W177 VanDerWaalsContact O-CZ3 3.27Å; N161-W177 WeakPolarHBondContact O-CZ3 3.45Å; F166-W177 AromaticContact CD2-CE3 3.77Å; F166-W177 HydrophobicContact CD2-CE3 3.77Å; F166-W177 AromaticContact CD2-CZ3 3.96Å; F166-W177 HydrophobicContact CD2-CZ3 3.96Å; F166-W177 HydrophobicContact CE2-CE3 4.5Å; F166-W177 HydrophobicContact CE2-CZ3 4.25Å; F166-W177 PolarHBondContact N-O 3.04Å; F166-W177 PolarHBondContact O-N 3.14Å; W177-G179 VanDerWaalsContact CZ3-CA 3.41Å; W177-V211 WeakPolarHBondContact CA-O 3.39Å; W177-E216 PolarHBondContact NE1-OE1 3.47Å; W177-M226 HydrophobicContact CB-CE 3.81Å; W177-M226 HydrophobicContact CB-SD 4.41Å; W177-M226 HydrophobicContact CG-CE 3.96Å; W177-L236 HydrophobicContact CH2-CD1 3.35Å; W177-L236 HydrophobicContact CZ2-CD1 3.59Å; W177-L236 HydrophobicContact CZ3-CD1 4.46Å
178	N	91.8	Very high	84.1	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	125.3	-179.6	-62	-37.1	0	0	0	110.2	Q176 R187 V211 D212 G213 Y725	Q176-N178 WeakPolarHBondContact CG-OD1 3.4Å; Q176-N178 PolarHBondContact NE2-OD1 3.21Å; N178-R187 HydrophobicContact CB-CG 4.27Å; N178-V211 PolarHBondContact N-O 3.43Å; N178-D212 PolarHBondContact ND2-OD1 3.31Å; N178-G213 VanDerWaalsContact O-CA 3.27Å; N178-G213 WeakPolarHBondContact O-CA 3.38Å; N178-G213 PolarHBondContact O-N 2.9Å; N178-Y725 PolarHBondContact ND2-OH 3.23Å
179	G	89.1	Confident	83.3	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.145	C	C	.	.			trans	-57.3	140.8	170.4	0	0	0	0	0	111.9	R162 D164 W177 E181 S182 R187	R162-G179 CarbonylContact O-C 3.47Å; R162-G179 WeakPolarHBondContact O-CA 3.26Å; D164-G179 WeakPolarHBondContact O-CA 3.37Å; D164-G179 PolarHBondContact O-N 3.36Å; W177-G179 VanDerWaalsContact CZ3-CA 3.41Å; G179-E181 PolarHBondContact O-N 2.97Å; G179-E181 VanDerWaalsContact O-N 3.12Å; G179-S182 PolarHBondContact N-OG 3.42Å; G179-S182 VanDerWaalsContact O-CB 3.3Å; G179-S182 WeakPolarHBondContact O-CB 3.36Å; G179-S182 PolarHBondContact O-N 3.01Å; G179-S182 PolarHBondContact O-OG 2.9Å; G179-R187 PolarHBondContact O-NH2 3.15Å
180	P	86.1	Confident	83	Confident	52 Å²	52	31.1 Å²	31.1	34%	0.338	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-27.8	175.8	-21.9	28.9	0	0	0	114	R162	R162-P180 VanDerWaalsContact O-CD 3.29Å; R162-P180 WeakPolarHBondContact O-CD 3Å; R162-P180 VanDerWaalsContact O-N 3.13Å
181	E	82.3	Confident	82.9	Confident	112 Å²	112	30.2 Å²	30.2	52%	0.523	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	7.4	-179.4	-60.1	163.9	-155.5	0	0	111.7	R162 G179	R162-E181 HydrophobicContact CB-CG 4.4Å; R162-E181 IonicContact NH1-OE1 3Å; R162-E181 PolarHBondContact NH1-OE1 3.17Å; R162-E181 WeakPolarHBondContact O-CA 3.42Å; R162-E181 WeakPolarHBondContact O-CB 3.44Å; R162-E181 PolarHBondContact O-N 2.87Å; G179-E181 PolarHBondContact O-N 2.97Å; G179-E181 VanDerWaalsContact O-N 3.12Å
182	S	79.4	Confident	82.7	Confident	11 Å²	11	32.4 Å²	32.4	8%	0.077	15%	0.154	C	C	.	.			trans	-72.1	142.7	-178.4	63.1	0	0	0	0	113.8	G163 G179 R187	G163-S182 WeakPolarHBondContact O-CA 3.31Å; G163-S182 WeakPolarHBondContact O-CB 3.28Å; G179-S182 PolarHBondContact N-OG 3.42Å; G179-S182 VanDerWaalsContact O-CB 3.3Å; G179-S182 WeakPolarHBondContact O-CB 3.36Å; G179-S182 PolarHBondContact O-N 3.01Å; G179-S182 PolarHBondContact O-OG 2.9Å; S182-R187 PolarHBondContact O-NE 3.04Å; S182-R187 PolarHBondContact OG-NE 3.11Å; S182-R187 PolarHBondContact OG-NH2 3.17Å
183	N	72.9	Confident	82.5	Confident	38 Å²	38	27.7 Å²	27.7	20%	0.203	13%	0.134	C	C	.	.			trans	-82.2	161.7	-176.3	75.8	56.7	0	0	0	112.3	M185 E186 R187	N183-M185 VanDerWaalsContact C-N 3.29Å; N183-M185 PolarHBondContact O-N 3.24Å; N183-M185 WeakPolarHBondContact OD1-CA 3.34Å; N183-M185 WeakPolarHBondContact OD1-CB 3.44Å; N183-M185 PolarHBondContact OD1-N 3.36Å; N183-E186 PolarHBondContact N-OE2 3.39Å; N183-E186 WeakPolarHBondContact ND2-CG 3.25Å; N183-E186 PolarHBondContact ND2-OE1 3.1Å; N183-E186 PolarHBondContact ND2-OE2 3.25Å; N183-E186 PolarHBondContact O-N 3.08Å; N183-E186 WeakPolarHBondContact OD1-CG 3.41Å; N183-E186 PolarHBondContact OD1-N 2.65Å; N183-R187 WeakPolarHBondContact O-CG 3.33Å; N183-R187 PolarHBondContact O-N 2.96Å
184	R	74.2	Confident	82.4	Confident	128 Å²	128	27.7 Å²	27.7	48%	0.483	13%	0.133	S	C	.	.	H	α-helix	trans	-60.7	-36	-176.7	-178.2	-179.6	172.1	-167.1	-2.8	112.8	R187 L188	R184-R187 PolarHBondContact O-N 3.3Å; R184-L188 WeakPolarHBondContact O-CB 3.43Å; R184-L188 PolarHBondContact O-N 3.1Å
185	M	66.6	Low	82	Confident	60 Å²	60	30.3 Å²	30.3	30%	0.296	15%	0.145	S	C	.	.	H	α-helix	trans	-70.5	-44	-177.5	-168.4	61.2	75.9	0	0	111.5	K145 N183 R187 L188 R189 E645	K145-M185 WeakPolarHBondContact O-CG 3.47Å; N183-M185 VanDerWaalsContact C-N 3.29Å; N183-M185 PolarHBondContact O-N 3.24Å; N183-M185 WeakPolarHBondContact OD1-CA 3.34Å; N183-M185 WeakPolarHBondContact OD1-CB 3.44Å; N183-M185 PolarHBondContact OD1-N 3.36Å; M185-R187 VanDerWaalsContact C-N 3.31Å; M185-R187 PolarHBondContact O-N 3.11Å; M185-L188 PolarHBondContact O-N 3.03Å; M185-L188 HydrophobicContact SD-CD2 4.48Å; M185-R189 WeakPolarHBondContact O-CB 3.35Å; M185-R189 PolarHBondContact O-N 2.95Å; M185-E645 HydrophobicContact CE-CG 4.01Å; M185-E645 WeakPolarHBondContact CE-OE1 3.47Å
186	E	74.5	Confident	81.1	Confident	11 Å²	11	32.7 Å²	32.7	5%	0.051	16%	0.156	C	C	.	.	H	α-helix	trans	-59.8	-42.5	174.7	-72.5	169.3	155.2	0	0	111.3	G144 V165 N183 R189 G190	G144-E186 PolarHBondContact N-OE1 3.06Å; G144-E186 VanDerWaalsContact N-OE1 3.14Å; G144-E186 WeakPolarHBondContact O-CG 3.37Å; V165-E186 HydrophobicContact CB-CB 4.45Å; V165-E186 HydrophobicContact CG2-CB 3.81Å; N183-E186 PolarHBondContact N-OE2 3.39Å; N183-E186 WeakPolarHBondContact ND2-CG 3.25Å; N183-E186 PolarHBondContact ND2-OE1 3.1Å; N183-E186 PolarHBondContact ND2-OE2 3.25Å; N183-E186 PolarHBondContact O-N 3.08Å; N183-E186 WeakPolarHBondContact OD1-CG 3.41Å; N183-E186 PolarHBondContact OD1-N 2.65Å; E186-R189 PolarHBondContact O-N 2.9Å; E186-G190 PolarHBondContact O-N 2.79Å
187	R	85.2	Confident	80.3	Confident	37 Å²	37	33 Å²	33	14%	0.14	16%	0.157	C	C	.	.	H	α-helix	trans	-62.6	-46.1	176.2	-66.6	178.4	-175.4	-144.5	-4.3	111.5	V165 Q176 N178 G179 S182 N183 R184 M185 R189 M191 E214 Y725	V165-R187 HydrophobicContact CG2-CG 4Å; Q176-R187 PolarHBondContact NE2-O 3.37Å; N178-R187 HydrophobicContact CB-CG 4.27Å; G179-R187 PolarHBondContact O-NH2 3.15Å; S182-R187 PolarHBondContact O-NE 3.04Å; S182-R187 PolarHBondContact OG-NE 3.11Å; S182-R187 PolarHBondContact OG-NH2 3.17Å; N183-R187 WeakPolarHBondContact O-CG 3.33Å; N183-R187 PolarHBondContact O-N 2.96Å; R184-R187 PolarHBondContact O-N 3.3Å; M185-R187 VanDerWaalsContact C-N 3.31Å; M185-R187 PolarHBondContact O-N 3.11Å; R187-R189 VanDerWaalsContact C-N 3.34Å; R187-M191 WeakPolarHBondContact O-CB 3.3Å; R187-M191 PolarHBondContact O-N 3.28Å; R187-M191 VanDerWaalsContact O-N 3.09Å; R187-E214 IonicContact CZ-OE1 3.97Å; R187-E214 IonicContact CZ-OE2 3.95Å; R187-E214 IonicContact NH1-OE1 2.72Å; R187-E214 PolarHBondContact NH1-OE1 3.31Å; R187-E214 IonicContact NH1-OE2 3.84Å; R187-E214 IonicContact NH2-OE1 3.66Å; R187-E214 PolarHBondContact NH2-OE1 3.43Å; R187-E214 IonicContact NH2-OE2 2.64Å; R187-E214 PolarHBondContact NH2-OE2 3.4Å; R187-Y725 HydrophobicContact CB-CD2 4.16Å; R187-Y725 HydrophobicContact CB-CE2 3.88Å
188	L	76.8	Confident	79.7	Confident	51 Å²	51	34.8 Å²	34.8	27%	0.267	16%	0.164	S	C	.	.	H	α-helix	trans	-64.6	-39.3	177.5	-178.9	63.5	0	0	0	111.9	R184 M185 M191 T192 L728	R184-L188 WeakPolarHBondContact O-CB 3.43Å; R184-L188 PolarHBondContact O-N 3.1Å; M185-L188 PolarHBondContact O-N 3.03Å; M185-L188 HydrophobicContact SD-CD2 4.48Å; L188-M191 WeakPolarHBondContact O-CB 3.41Å; L188-M191 PolarHBondContact O-N 2.98Å; L188-T192 PolarHBondContact O-N 3.45Å; L188-T192 PolarHBondContact O-OG1 3.3Å; L188-L728 HydrophobicContact CD1-CD1 3.32Å
189	R	74.8	Confident	79	Confident	27 Å²	27	37.9 Å²	37.9	10%	0.102	18%	0.181	C	C	.	.	H	α-helix	trans	-74.3	-42	180	-178.5	59.7	-158.9	169.1	-6.2	112.1	Q113 V148 M185 E186 R187 M191 T192 L193 E196	Q113-R189 VanDerWaalsContact C-CZ 3.48Å; Q113-R189 VanDerWaalsContact O-CD 3.23Å; Q113-R189 WeakPolarHBondContact O-CD 3.36Å; Q113-R189 PolarHBondContact O-NE 3.21Å; Q113-R189 PolarHBondContact O-NH1 3.16Å; Q113-R189 PolarHBondContact O-NH2 3.44Å; V148-R189 HydrophobicContact CB-CB 4.21Å; V148-R189 HydrophobicContact CB-CG 3.68Å; V148-R189 HydrophobicContact CG1-CB 4.05Å; V148-R189 HydrophobicContact CG1-CG 3.6Å; V148-R189 HydrophobicContact CG2-CB 3.88Å; V148-R189 HydrophobicContact CG2-CG 3.89Å; M185-R189 WeakPolarHBondContact O-CB 3.35Å; M185-R189 PolarHBondContact O-N 2.95Å; E186-R189 PolarHBondContact O-N 2.9Å; R187-R189 VanDerWaalsContact C-N 3.34Å; R189-M191 PolarHBondContact O-N 2.91Å; R189-T192 PolarHBondContact O-N 2.68Å; R189-T192 VanDerWaalsContact O-N 3.13Å; R189-L193 WeakPolarHBondContact O-CB 3.35Å; R189-L193 PolarHBondContact O-N 2.7Å; R189-E196 IonicContact CZ-OE1 3.14Å; R189-E196 IonicContact CZ-OE2 2.74Å; R189-E196 IonicContact NH1-OE1 2.8Å; R189-E196 PolarHBondContact NH1-OE1 3.01Å; R189-E196 IonicContact NH1-OE2 2.7Å; R189-E196 IonicContact NH2-OE1 2.89Å; R189-E196 IonicContact NH2-OE2 2.8Å; R189-E196 PolarHBondContact NH2-OE2 2.75Å
190	G	82	Confident	77.9	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-52	-42.7	169.9	0	0	0	0	0	111	Q176 E186 L193 A194	Q176-G190 VanDerWaalsContact OE1-C 3.27Å; E186-G190 PolarHBondContact O-N 2.79Å; G190-L193 PolarHBondContact O-N 2.92Å; G190-A194 WeakPolarHBondContact O-CB 3.46Å; G190-A194 PolarHBondContact O-N 3.29Å
191	M	84.3	Confident	77.2	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-67.3	-44.7	177.8	-172.7	65.7	74.2	0	0	112.4	R187 L188 R189 L193 A194 K195 V208 V210 Y725 L728 K729 L732	R187-M191 WeakPolarHBondContact O-CB 3.3Å; R187-M191 PolarHBondContact O-N 3.28Å; R187-M191 VanDerWaalsContact O-N 3.09Å; L188-M191 WeakPolarHBondContact O-CB 3.41Å; L188-M191 PolarHBondContact O-N 2.98Å; R189-M191 PolarHBondContact O-N 2.91Å; M191-L193 VanDerWaalsContact C-N 3.33Å; M191-L193 PolarHBondContact O-N 3.48Å; M191-A194 PolarHBondContact O-N 3.39Å; M191-K195 WeakPolarHBondContact O-CB 3.5Å; M191-K195 PolarHBondContact O-N 3.48Å; M191-V208 HydrophobicContact SD-CG1 4.34Å; M191-V210 HydrophobicContact CE-CG2 3.39Å; M191-V210 HydrophobicContact SD-CG2 4.5Å; M191-Y725 HydrophobicContact CB-CE2 4.43Å; M191-Y725 HydrophobicContact CE-CE2 3.86Å; M191-L728 HydrophobicContact CG-CB 4.21Å; M191-K729 HydrophobicContact CE-CB 4.22Å; M191-L732 HydrophobicContact CG-CD1 3.48Å; M191-L732 VanDerWaalsContact CG-CD1 3.48Å; M191-L732 HydrophobicContact SD-CB 4.21Å; M191-L732 HydrophobicContact SD-CD1 3.31Å; M191-L732 WeakPolarHBondContact SD-CD1 3.48Å; M191-L732 HydrophobicContact SD-CG 4.37Å
192	T	78.6	Confident	76.8	Confident	46 Å²	46	37.3 Å²	37.3	28%	0.282	17%	0.174	S	C	.	.	H	α-helix	trans	-62.8	-43	178.1	-55.9	0	0	0	0	110.8	L188 R189 K195 E196	L188-T192 PolarHBondContact O-N 3.45Å; L188-T192 PolarHBondContact O-OG1 3.3Å; R189-T192 PolarHBondContact O-N 2.68Å; R189-T192 VanDerWaalsContact O-N 3.13Å; T192-K195 WeakPolarHBondContact O-CB 3.38Å; T192-K195 PolarHBondContact O-N 3.4Å; T192-E196 WeakPolarHBondContact O-CG 3.18Å; T192-E196 PolarHBondContact O-N 3.06Å
193	L	79.2	Confident	76.3	Confident	6 Å²	6	39.4 Å²	39.4	3%	0.031	20%	0.197	C	C	.	.	H	α-helix	trans	-64.8	-42.3	175.7	178.9	60.3	0	0	0	111.6	V116 L140 V142 A150 L167 R189 G190 M191 K195 E196 I197	V116-L193 HydrophobicContact CG2-CD1 3.91Å; L140-L193 HydrophobicContact CD1-CD2 4.38Å; V142-L193 HydrophobicContact CG2-CD2 4.2Å; A150-L193 HydrophobicContact CB-CD2 3.3Å; L167-L193 HydrophobicContact CD1-CB 3.97Å; L167-L193 HydrophobicContact CD1-CD2 3.66Å; L167-L193 HydrophobicContact CD1-CG 3.7Å; R189-L193 WeakPolarHBondContact O-CB 3.35Å; R189-L193 PolarHBondContact O-N 2.7Å; G190-L193 PolarHBondContact O-N 2.92Å; M191-L193 VanDerWaalsContact C-N 3.33Å; M191-L193 PolarHBondContact O-N 3.48Å; L193-K195 VanDerWaalsContact C-N 3.29Å; L193-K195 PolarHBondContact O-N 3.21Å; L193-E196 PolarHBondContact O-N 3.18Å; L193-I197 HydrophobicContact CD1-CD1 4.25Å; L193-I197 HydrophobicContact CD1-CG1 4.3Å; L193-I197 HydrophobicContact CG-CD1 4.08Å; L193-I197 VanDerWaalsContact O-CG1 3.3Å; L193-I197 WeakPolarHBondContact O-CG1 3.22Å; L193-I197 PolarHBondContact O-N 3.45Å
194	A	83.9	Confident	76.3	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-60.7	-39.7	174.5	0	0	0	0	0	111.9	L167 I174 G190 M191 R198 V208	L167-A194 HydrophobicContact CD1-CB 4.31Å; L167-A194 HydrophobicContact CD2-CB 4.23Å; I174-A194 HydrophobicContact CG2-CB 4.02Å; G190-A194 WeakPolarHBondContact O-CB 3.46Å; G190-A194 PolarHBondContact O-N 3.29Å; M191-A194 PolarHBondContact O-N 3.39Å; A194-R198 WeakPolarHBondContact O-CB 3.49Å; A194-R198 PolarHBondContact O-N 3.36Å; A194-V208 HydrophobicContact CB-CG1 3.87Å; A194-V208 HydrophobicContact CB-CG2 4.37Å
195	K	80.7	Confident	76.3	Confident	56 Å²	56	41.7 Å²	41.7	24%	0.243	22%	0.215	C	C	.	.	H	α-helix	trans	-64.5	-44.6	173.2	-173	179.5	-167.5	167.9	0	111.9	M191 T192 L193 R198 D199 E731 L732	M191-K195 WeakPolarHBondContact O-CB 3.5Å; M191-K195 PolarHBondContact O-N 3.48Å; T192-K195 WeakPolarHBondContact O-CB 3.38Å; T192-K195 PolarHBondContact O-N 3.4Å; L193-K195 VanDerWaalsContact C-N 3.29Å; L193-K195 PolarHBondContact O-N 3.21Å; K195-R198 WeakPolarHBondContact O-CB 3.46Å; K195-R198 PolarHBondContact O-N 3.24Å; K195-D199 WeakPolarHBondContact CG-OD2 3.44Å; K195-D199 WeakPolarHBondContact O-CB 3.19Å; K195-D199 VanDerWaalsContact O-CG 3.31Å; K195-D199 PolarHBondContact O-N 3.05Å; K195-E731 IonicContact NZ-OE1 3.94Å; K195-E731 PolarHBondContact NZ-OE1 3.47Å; K195-L732 HydrophobicContact CB-CD1 4.1Å; K195-L732 HydrophobicContact CB-CD2 4.27Å; K195-L732 HydrophobicContact CD-CD1 4.38Å; K195-L732 HydrophobicContact CD-CD2 4.08Å; K195-L732 HydrophobicContact CG-CD2 3.96Å
196	E	73.9	Confident	77	Confident	49 Å²	49	39 Å²	39	23%	0.229	20%	0.202	C	C	.	.	H	α-helix	trans	-59.7	-48.1	175.9	-75.6	167.3	-169	0	0	111.1	R189 T192 L193 R198 D199 Q200	R189-E196 IonicContact CZ-OE1 3.14Å; R189-E196 IonicContact CZ-OE2 2.74Å; R189-E196 IonicContact NH1-OE1 2.8Å; R189-E196 PolarHBondContact NH1-OE1 3.01Å; R189-E196 IonicContact NH1-OE2 2.7Å; R189-E196 IonicContact NH2-OE1 2.89Å; R189-E196 IonicContact NH2-OE2 2.8Å; R189-E196 PolarHBondContact NH2-OE2 2.75Å; T192-E196 WeakPolarHBondContact O-CG 3.18Å; T192-E196 PolarHBondContact O-N 3.06Å; L193-E196 PolarHBondContact O-N 3.18Å; E196-R198 VanDerWaalsContact C-N 3.31Å; E196-R198 PolarHBondContact O-N 2.92Å; E196-D199 PolarHBondContact O-N 2.82Å; E196-Q200 VanDerWaalsContact O-CB 3.24Å; E196-Q200 WeakPolarHBondContact O-CB 3.5Å; E196-Q200 WeakPolarHBondContact O-CG 3.5Å; E196-Q200 PolarHBondContact O-N 3.44Å
197	I	76.2	Confident	77.5	Confident	6 Å²	6	42.6 Å²	42.6	3%	0.031	22%	0.215	C	C	.	.	I	π-helix	trans	-59.9	-43.9	176	-64.6	166.1	0	0	0	110.1	L140 L167 I174 L193 E201 R202	L140-I197 HydrophobicContact CD1-CD1 3.76Å; L167-I197 HydrophobicContact CD1-CD1 4.45Å; I174-I197 HydrophobicContact CD1-CB 3.94Å; I174-I197 HydrophobicContact CD1-CG2 3.6Å; L193-I197 HydrophobicContact CD1-CD1 4.25Å; L193-I197 HydrophobicContact CD1-CG1 4.3Å; L193-I197 HydrophobicContact CG-CD1 4.08Å; L193-I197 VanDerWaalsContact O-CG1 3.3Å; L193-I197 WeakPolarHBondContact O-CG1 3.22Å; L193-I197 PolarHBondContact O-N 3.45Å; I197-E201 HydrophobicContact CG2-CB 4.35Å; I197-E201 HydrophobicContact CG2-CG 4.45Å; I197-E201 WeakPolarHBondContact O-CA 3.35Å; I197-E201 VanDerWaalsContact O-CB 3.31Å; I197-E201 WeakPolarHBondContact O-CB 3.42Å; I197-E201 PolarHBondContact O-N 3.4Å; I197-R202 PolarHBondContact O-N 2.89Å
198	R	81.4	Confident	77.5	Confident	39 Å²	39	41 Å²	41	15%	0.147	21%	0.21	C	C	.	.	I	π-helix	trans	-60.1	-50.1	177.7	176.6	-166.7	77.2	169.1	3.6	112.2	A194 K195 E196 R202 G203 G204 T206 V208	A194-R198 WeakPolarHBondContact O-CB 3.49Å; A194-R198 PolarHBondContact O-N 3.36Å; K195-R198 WeakPolarHBondContact O-CB 3.46Å; K195-R198 PolarHBondContact O-N 3.24Å; E196-R198 VanDerWaalsContact C-N 3.31Å; E196-R198 PolarHBondContact O-N 2.92Å; R198-R202 CarbonylContact O-C 3.39Å; R198-R202 WeakPolarHBondContact O-CB 3.32Å; R198-R202 PolarHBondContact O-N 2.94Å; R198-G203 PolarHBondContact O-N 2.92Å; R198-G204 WeakPolarHBondContact O-CA 3.42Å; R198-G204 PolarHBondContact O-N 2.87Å; R198-T206 HydrophobicContact CB-CG2 3.41Å; R198-T206 VanDerWaalsContact CB-CG2 3.41Å; R198-T206 HydrophobicContact CG-CG2 3.4Å; R198-T206 VanDerWaalsContact CG-CG2 3.4Å; R198-V208 HydrophobicContact CB-CG2 4.4Å
199	D	76.6	Confident	78	Confident	65 Å²	65	38.7 Å²	38.7	35%	0.348	20%	0.198	S	C	.	.	I	π-helix	trans	-80.6	-42.4	-170	-66.3	-16.9	0	0	0	111.4	K195 E196 G203	K195-D199 WeakPolarHBondContact CG-OD2 3.44Å; K195-D199 WeakPolarHBondContact O-CB 3.19Å; K195-D199 VanDerWaalsContact O-CG 3.31Å; K195-D199 PolarHBondContact O-N 3.05Å; E196-D199 PolarHBondContact O-N 2.82Å; D199-G203 WeakPolarHBondContact O-CA 3.45Å; D199-G203 PolarHBondContact O-N 2.81Å
200	Q	67.1	Low	78.8	Confident	122 Å²	122	38.3 Å²	38.3	57%	0.57	20%	0.198	S	C	*	.	I	π-helix	trans	-89.2	-44.5	-174.7	-57.7	-173.1	1.6	0	0	113.5	E196	E196-Q200 VanDerWaalsContact O-CB 3.24Å; E196-Q200 WeakPolarHBondContact O-CB 3.5Å; E196-Q200 WeakPolarHBondContact O-CG 3.5Å; E196-Q200 PolarHBondContact O-N 3.44Å
201	E	71.4	Confident	79.1	Confident	30 Å²	30	38.3 Å²	38.3	14%	0.14	20%	0.198	C	C	.	.	I	π-helix	trans	-85.6	-32.6	-177.5	-57.1	-167.6	177.3	0	0	112.4	R118 R138 I197	R118-E201 IonicContact CZ-OE1 3.55Å; R118-E201 IonicContact NH1-OE1 2.92Å; R118-E201 PolarHBondContact NH1-OE1 2.98Å; R118-E201 IonicContact NH2-OE1 3.77Å; R118-E201 PolarHBondContact NH2-OE1 3.48Å; R138-E201 IonicContact CZ-OE2 3.83Å; R138-E201 IonicContact NH1-OE2 3.13Å; R138-E201 IonicContact NH2-OE1 3.79Å; R138-E201 IonicContact NH2-OE2 2.81Å; R138-E201 PolarHBondContact NH2-OE2 3.49Å; I197-E201 HydrophobicContact CG2-CB 4.35Å; I197-E201 HydrophobicContact CG2-CG 4.45Å; I197-E201 WeakPolarHBondContact O-CA 3.35Å; I197-E201 VanDerWaalsContact O-CB 3.31Å; I197-E201 WeakPolarHBondContact O-CB 3.42Å; I197-E201 PolarHBondContact O-N 3.4Å
202	R	74	Confident	79.4	Confident	1 Å²	1	39.6 Å²	39.6	0%	0.004	21%	0.206	C	C	.	.	S	Bend	trans	-112.3	3.9	-173.7	-50.3	-66.4	167.6	52.8	7.9	114.2	S133 D169 G171 I197 R198 G204 R205 T206	S133-R202 PolarHBondContact O-NE 3.39Å; D169-R202 VanDerWaalsContact CG-NH2 3.28Å; D169-R202 IonicContact OD1-CZ 2.63Å; D169-R202 IonicContact OD1-NH1 3.94Å; D169-R202 PolarHBondContact OD1-NH1 3.25Å; D169-R202 IonicContact OD1-NH2 2.72Å; D169-R202 PolarHBondContact OD1-NH2 3.45Å; D169-R202 IonicContact OD2-CZ 3.54Å; D169-R202 IonicContact OD2-NH1 2.77Å; D169-R202 IonicContact OD2-NH2 2.75Å; D169-R202 PolarHBondContact OD2-NH2 2.67Å; G171-R202 VanDerWaalsContact C-NH1 3.31Å; G171-R202 PolarHBondContact O-NH1 2.84Å; I197-R202 PolarHBondContact O-N 2.89Å; R198-R202 CarbonylContact O-C 3.39Å; R198-R202 WeakPolarHBondContact O-CB 3.32Å; R198-R202 PolarHBondContact O-N 2.94Å; R202-G204 PolarHBondContact O-N 3.31Å; R202-R205 WeakPolarHBondContact O-CB 3.33Å; R202-R205 PolarHBondContact O-N 2.91Å; R202-R205 VanDerWaalsContact O-N 3.1Å; R202-T206 HydrophobicContact CB-CG2 3.86Å; R202-T206 HydrophobicContact CG-CG2 3.84Å
203	G	69.3	Low	79.6	Confident	54 Å²	54	38 Å²	38	56%	0.557	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.7	32.6	178.1	0	0	0	0	0	113.9	R198 D199	R198-G203 PolarHBondContact O-N 2.92Å; D199-G203 WeakPolarHBondContact O-CA 3.45Å; D199-G203 PolarHBondContact O-N 2.81Å
204	G	71.8	Confident	79.8	Confident	39 Å²	39	42.5 Å²	42.5	40%	0.402	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.1	1.2	-178.9	0	0	0	0	0	115.3	R198 R202	R198-G204 WeakPolarHBondContact O-CA 3.42Å; R198-G204 PolarHBondContact O-N 2.87Å; R202-G204 PolarHBondContact O-N 3.31Å
205	R	74.8	Confident	79.9	Confident	176 Å²	176	46.4 Å²	46.4	66%	0.664	24%	0.24	S	C	*	.			trans	-101.4	35.1	-169.5	-57.2	177.3	-175.1	166.2	1.5	114.5	R202	R202-R205 WeakPolarHBondContact O-CB 3.33Å; R202-R205 PolarHBondContact O-N 2.91Å; R202-R205 VanDerWaalsContact O-N 3.1Å
206	T	80.2	Confident	80.2	Confident	4 Å²	4	46 Å²	46	3%	0.025	24%	0.239	C	C	.	.	S	Bend	trans	-130.5	152.3	173.7	-178.3	0	0	0	0	110.6	G171 K172 L173 I174 R198 R202	G171-T206 PolarHBondContact O-OG1 3.19Å; K172-T206 PolarHBondContact O-OG1 3.42Å; L173-T206 PolarHBondContact N-OG1 2.97Å; I174-T206 HydrophobicContact CD1-CG2 3.79Å; I174-T206 HydrophobicContact CG1-CG2 4.38Å; R198-T206 HydrophobicContact CB-CG2 3.41Å; R198-T206 VanDerWaalsContact CB-CG2 3.41Å; R198-T206 HydrophobicContact CG-CG2 3.4Å; R198-T206 VanDerWaalsContact CG-CG2 3.4Å; R202-T206 HydrophobicContact CB-CG2 3.86Å; R202-T206 HydrophobicContact CG-CG2 3.84Å
207	Y	84.9	Confident	80.6	Confident	85 Å²	85	48.5 Å²	48.5	33%	0.333	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	142.2	177.1	-60.9	-79.7	0	0	0	110.4	K172 L173 I174 N734 I741	K172-Y207 WeakPolarHBondContact O-CD2 3.22Å; K172-Y207 PolarHBondContact O-N 3.28Å; L173-Y207 CarbonylContact C-O 3.51Å; L173-Y207 WeakPolarHBondContact CA-O 3.42Å; I174-Y207 PolarHBondContact N-O 3.23Å; Y207-N734 HydrophobicContact CD1-CB 4.45Å; Y207-I741 HydrophobicContact CD1-CD1 3.85Å; Y207-I741 HydrophobicContact CD2-CD1 3.44Å; Y207-I741 VanDerWaalsContact CD2-CD1 3.44Å; Y207-I741 HydrophobicContact CD2-CG1 4.11Å; Y207-I741 HydrophobicContact CE1-CD1 4.12Å; Y207-I741 HydrophobicContact CE2-CD1 3.72Å; Y207-I741 HydrophobicContact CE2-CG1 4.13Å; Y207-I741 HydrophobicContact CG-CD1 3.52Å
208	V	86.6	Confident	81	Confident	5 Å²	5	51.4 Å²	51.4	3%	0.03	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	117.8	174.4	-177.5	0	0	0	0	108.1	I174 M191 A194 R198	I174-V208 HydrophobicContact CB-CG2 4.43Å; I174-V208 CarbonylContact O-C 3.55Å; I174-V208 WeakPolarHBondContact O-CA 3.35Å; M191-V208 HydrophobicContact SD-CG1 4.34Å; A194-V208 HydrophobicContact CB-CG1 3.87Å; A194-V208 HydrophobicContact CB-CG2 4.37Å; R198-V208 HydrophobicContact CB-CG2 4.4Å
209	G	87.7	Confident	81.2	Confident	1 Å²	1	51 Å²	51	1%	0.01	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	148.3	175.1	0	0	0	0	0	110.8	I174 I175 Q176	I174-G209 PolarHBondContact O-N 3.5Å; I175-G209 CarbonylContact C-O 3.56Å; I175-G209 WeakPolarHBondContact CA-O 3.46Å; Q176-G209 PolarHBondContact N-O 3.2Å
210	V	89.9	Confident	81.6	Confident	19 Å²	19	52.1 Å²	52.1	12%	0.115	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	133.4	178.9	-177.8	0	0	0	0	109.5	Q176 M191 S219 Y725 K729	Q176-V210 CarbonylContact O-C 3.48Å; Q176-V210 WeakPolarHBondContact O-CA 2.88Å; M191-V210 HydrophobicContact CE-CG2 3.39Å; M191-V210 HydrophobicContact SD-CG2 4.5Å; V210-S219 PolarHBondContact O-OG 3.09Å; V210-Y725 WeakPolarHBondContact CG1-OH 3.41Å; V210-K729 HydrophobicContact CG2-CG 4.35Å
211	V	89.8	Confident	82.5	Confident	0 Å²	0	50 Å²	50	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	116.3	172.4	-178.9	0	0	0	0	108.3	I175 Q176 W177 N178 E216 L222 M223 M226	I175-V211 HydrophobicContact CG2-CG2 3.87Å; Q176-V211 PolarHBondContact O-N 3.28Å; W177-V211 WeakPolarHBondContact CA-O 3.39Å; N178-V211 PolarHBondContact N-O 3.43Å; V211-E216 HydrophobicContact CG1-CG 4.31Å; V211-L222 HydrophobicContact CG2-CB 3.58Å; V211-L222 HydrophobicContact CG2-CD1 3.89Å; V211-L222 HydrophobicContact CG2-CG 4.4Å; V211-M223 HydrophobicContact CG1-CG 4.18Å; V211-M223 HydrophobicContact CG1-SD 3.77Å; V211-M226 HydrophobicContact CG2-SD 4.35Å
212	D	88.8	Confident	83.2	Confident	29 Å²	29	48.7 Å²	48.7	16%	0.155	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	119.3	176.1	-64.5	-47.6	0	0	0	109.2	N178 E214 N215 E216 K729	N178-D212 PolarHBondContact ND2-OD1 3.31Å; D212-E214 HydrophobicContact CB-CG 4.2Å; D212-E214 PolarHBondContact O-N 3.43Å; D212-N215 CarbonylContact O-C 3.59Å; D212-N215 WeakPolarHBondContact O-CA 3.18Å; D212-N215 PolarHBondContact O-N 3.33Å; D212-E216 PolarHBondContact O-N 2.87Å; D212-K729 IonicContact OD2-NZ 2.68Å; D212-K729 PolarHBondContact OD2-NZ 2.97Å
213	G	84	Confident	83.9	Confident	13 Å²	13	49.4 Å²	49.4	13%	0.134	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-62.9	-27.2	-175.8	0	0	0	0	0	113.3	N178 N215	N178-G213 VanDerWaalsContact O-CA 3.27Å; N178-G213 WeakPolarHBondContact O-CA 3.38Å; N178-G213 PolarHBondContact O-N 2.9Å; G213-N215 PolarHBondContact O-N 3.46Å
214	E	83.4	Confident	84.8	Confident	100 Å²	100	51 Å²	51	47%	0.467	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-64.6	-21.4	170.9	59.4	-91.9	-151.3	0	0	113.2	R187 D212	R187-E214 IonicContact CZ-OE1 3.97Å; R187-E214 IonicContact CZ-OE2 3.95Å; R187-E214 IonicContact NH1-OE1 2.72Å; R187-E214 PolarHBondContact NH1-OE1 3.31Å; R187-E214 IonicContact NH1-OE2 3.84Å; R187-E214 IonicContact NH2-OE1 3.66Å; R187-E214 PolarHBondContact NH2-OE1 3.43Å; R187-E214 IonicContact NH2-OE2 2.64Å; R187-E214 PolarHBondContact NH2-OE2 3.4Å; D212-E214 HydrophobicContact CB-CG 4.2Å; D212-E214 PolarHBondContact O-N 3.43Å
215	N	86.1	Confident	85.5	Confident	82 Å²	82	49.1 Å²	49.1	44%	0.439	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-149.9	59.6	-179.1	-167.6	5	0	0	0	112.7	D212 G213 S217 A218	D212-N215 CarbonylContact O-C 3.59Å; D212-N215 WeakPolarHBondContact O-CA 3.18Å; D212-N215 PolarHBondContact O-N 3.33Å; G213-N215 PolarHBondContact O-N 3.46Å; N215-S217 PolarHBondContact O-N 3.37Å; N215-S217 PolarHBondContact OD1-OG 2.97Å; N215-A218 WeakPolarHBondContact O-CB 3.49Å; N215-A218 PolarHBondContact O-N 2.8Å
216	E	85.8	Confident	86.2	Confident	48 Å²	48	40.8 Å²	40.8	22%	0.224	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-55.8	-27.5	178.7	-64.9	-178.5	171.7	0	0	112.1	W177 V211 D212 A218 S219 M223 R233	W177-E216 PolarHBondContact NE1-OE1 3.47Å; V211-E216 HydrophobicContact CG1-CG 4.31Å; D212-E216 PolarHBondContact O-N 2.87Å; E216-A218 PolarHBondContact O-N 2.92Å; E216-S219 PolarHBondContact O-N 3.14Å; E216-S219 VanDerWaalsContact O-N 3.17Å; E216-M223 HydrophobicContact CB-CE 4.33Å; E216-M223 HydrophobicContact CB-CG 4.21Å; E216-M223 HydrophobicContact CB-SD 4.23Å; E216-M223 HydrophobicContact CG-CE 4.35Å; E216-M223 HydrophobicContact CG-SD 4.27Å; E216-M223 VanDerWaalsContact OE2-CE 3.29Å; E216-M223 WeakPolarHBondContact OE2-CE 3.39Å; E216-R233 IonicContact OE1-CZ 3.71Å; E216-R233 IonicContact OE1-NE 2.82Å; E216-R233 IonicContact OE1-NH2 3.72Å; E216-R233 PolarHBondContact OE1-NH2 3.36Å; E216-R233 IonicContact OE2-NE 3.45Å
217	S	82.9	Confident	86.6	Confident	100 Å²	100	43.3 Å²	43.3	70%	0.699	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-65.4	-20.7	179.8	77.2	0	0	0	0	114.6	N215 S219	N215-S217 PolarHBondContact O-N 3.37Å; N215-S217 PolarHBondContact OD1-OG 2.97Å; S217-S219 PolarHBondContact O-N 3.32Å
218	A	84.2	Confident	86.7	Confident	68 Å²	68	44 Å²	44	56%	0.562	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-71	-20.2	175.9	0	0	0	0	0	113	N215 E216 P220	N215-A218 WeakPolarHBondContact O-CB 3.49Å; N215-A218 PolarHBondContact O-N 2.8Å; E216-A218 PolarHBondContact O-N 2.92Å; A218-P220 VanDerWaalsContact C-CD 3.44Å; A218-P220 WeakPolarHBondContact O-CD 3.08Å
219	S	85.6	Confident	86.7	Confident	30 Å²	30	45.5 Å²	45.5	21%	0.21	26%	0.258	C	S	.	.			trans	-126.2	59.2	-176.9	-68.6	0	0	0	0	112.6	V210 E216 S217 K221 L222 M223	V210-S219 PolarHBondContact O-OG 3.09Å; E216-S219 PolarHBondContact O-N 3.14Å; E216-S219 VanDerWaalsContact O-N 3.17Å; S217-S219 PolarHBondContact O-N 3.32Å; S219-K221 VanDerWaalsContact C-N 3.27Å; S219-K221 PolarHBondContact O-N 2.94Å; S219-L222 PolarHBondContact O-N 3.14Å; S219-M223 PolarHBondContact O-N 3.44Å; S219-M223 VanDerWaalsContact O-N 3.13Å
220	P	85.3	Confident	86.6	Confident	88 Å²	88	46 Å²	46	57%	0.571	26%	0.26	S	S	*	.	H	α-helix	trans	-62.6	-32.4	-170.2	25.5	-34.4	0	0	0	113.2	A218 E224	A218-P220 VanDerWaalsContact C-CD 3.44Å; A218-P220 WeakPolarHBondContact O-CD 3.08Å; P220-E224 PolarHBondContact O-N 3.41Å
221	K	85.3	Confident	86.4	Confident	78 Å²	78	46.6 Å²	46.6	34%	0.339	27%	0.27	S	S	.	.	H	α-helix	trans	-72.7	-39.8	-179.5	-72.7	-71	164.2	-160.6	0	113.4	S219 M223 E224 V225 W738 T742	S219-K221 VanDerWaalsContact C-N 3.27Å; S219-K221 PolarHBondContact O-N 2.94Å; K221-M223 VanDerWaalsContact C-N 3.33Å; K221-E224 IonicContact NZ-OE2 3.34Å; K221-E224 PolarHBondContact NZ-OE2 2.87Å; K221-E224 WeakPolarHBondContact O-CB 3.42Å; K221-E224 PolarHBondContact O-N 2.84Å; K221-V225 PolarHBondContact O-N 3.14Å; K221-W738 HydrophobicContact CB-CB 3.83Å; K221-W738 HydrophobicContact CG-CB 4.43Å; K221-T742 HydrophobicContact CD-CG2 4.21Å
222	L	86.4	Confident	86	Confident	2 Å²	2	56.1 Å²	56.1	1%	0.01	31%	0.312	C	S	.	.	H	α-helix	trans	-67.6	-37.6	174.1	-63.9	177.7	0	0	0	110.8	L173 I175 V211 S219 E224 V225 M226 W738	L173-L222 HydrophobicContact CD1-CD2 4.44Å; L173-L222 HydrophobicContact CD2-CD2 4.31Å; I175-L222 HydrophobicContact CD1-CB 4.43Å; I175-L222 HydrophobicContact CD1-CD2 4.21Å; I175-L222 HydrophobicContact CG1-CD2 4.31Å; V211-L222 HydrophobicContact CG2-CB 3.58Å; V211-L222 HydrophobicContact CG2-CD1 3.89Å; V211-L222 HydrophobicContact CG2-CG 4.4Å; S219-L222 PolarHBondContact O-N 3.14Å; L222-E224 VanDerWaalsContact C-N 3.32Å; L222-E224 PolarHBondContact O-N 2.83Å; L222-V225 PolarHBondContact O-N 2.88Å; L222-M226 WeakPolarHBondContact O-CG 3.36Å; L222-M226 PolarHBondContact O-N 3.17Å; L222-W738 HydrophobicContact CD2-CD2 4Å; L222-W738 HydrophobicContact CD2-CE3 3.86Å; L222-W738 HydrophobicContact CD2-CZ3 4.18Å; L222-W738 HydrophobicContact CG-CD2 4.44Å
223	M	89.1	Confident	85.7	Confident	17 Å²	17	58 Å²	58	8%	0.084	32%	0.317	C	S	.	.	H	α-helix	trans	-65.1	-33	173.7	-74.8	-59.6	-65.4	0	0	113.3	W157 V211 E216 S219 K221 M226 N227	W157-M223 HydrophobicContact CH2-CE 4.16Å; W157-M223 HydrophobicContact CZ2-CE 4.38Å; V211-M223 HydrophobicContact CG1-CG 4.18Å; V211-M223 HydrophobicContact CG1-SD 3.77Å; E216-M223 HydrophobicContact CB-CE 4.33Å; E216-M223 HydrophobicContact CB-CG 4.21Å; E216-M223 HydrophobicContact CB-SD 4.23Å; E216-M223 HydrophobicContact CG-CE 4.35Å; E216-M223 HydrophobicContact CG-SD 4.27Å; E216-M223 VanDerWaalsContact OE2-CE 3.29Å; E216-M223 WeakPolarHBondContact OE2-CE 3.39Å; S219-M223 PolarHBondContact O-N 3.44Å; S219-M223 VanDerWaalsContact O-N 3.13Å; K221-M223 VanDerWaalsContact C-N 3.33Å; M223-M226 PolarHBondContact O-N 2.94Å; M223-M226 HydrophobicContact SD-SD 4.11Å; M223-N227 WeakPolarHBondContact O-CB 3.41Å; M223-N227 PolarHBondContact O-N 2.89Å; M223-N227 PolarHBondContact O-ND2 3.16Å
224	E	87.6	Confident	85.5	Confident	86 Å²	86	59.4 Å²	59.4	40%	0.402	33%	0.331	S	S	.	.	H	α-helix	trans	-60.1	-48.1	172	-170.3	-179.3	166.9	0	0	110.9	P220 K221 L222 N227 H228 T742	P220-E224 PolarHBondContact O-N 3.41Å; K221-E224 IonicContact NZ-OE2 3.34Å; K221-E224 PolarHBondContact NZ-OE2 2.87Å; K221-E224 WeakPolarHBondContact O-CB 3.42Å; K221-E224 PolarHBondContact O-N 2.84Å; L222-E224 VanDerWaalsContact C-N 3.32Å; L222-E224 PolarHBondContact O-N 2.83Å; E224-N227 PolarHBondContact O-N 3.09Å; E224-H228 PolarHBondContact O-N 3.49Å; E224-T742 HydrophobicContact CB-CG2 4.44Å; E224-T742 HydrophobicContact CG-CG2 4.4Å
225	V	87.4	Confident	85.4	Confident	0 Å²	0	64 Å²	64	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-61.6	-48.5	176	177.3	0	0	0	0	111.4	L170 L173 I175 K221 L222 N227 H228 V229 T742 V745	L170-V225 HydrophobicContact CD1-CG1 3.65Å; L173-V225 HydrophobicContact CD2-CG1 4.29Å; I175-V225 HydrophobicContact CD1-CB 4.18Å; I175-V225 HydrophobicContact CD1-CG1 4Å; K221-V225 PolarHBondContact O-N 3.14Å; L222-V225 PolarHBondContact O-N 2.88Å; V225-N227 VanDerWaalsContact C-N 3.33Å; V225-N227 PolarHBondContact O-N 2.88Å; V225-H228 WeakPolarHBondContact O-CB 3.28Å; V225-H228 PolarHBondContact O-N 3.21Å; V225-H228 VanDerWaalsContact O-N 3.16Å; V225-V229 HydrophobicContact CG1-CG2 4.42Å; V225-V229 WeakPolarHBondContact O-CG2 3.13Å; V225-V229 PolarHBondContact O-N 2.9Å; V225-T742 HydrophobicContact CG2-CG2 3.75Å; V225-V745 HydrophobicContact CG1-CB 4.5Å; V225-V745 HydrophobicContact CG1-CG1 3.72Å
226	M	89	Confident	85.3	Confident	1 Å²	1	61.5 Å²	61.5	1%	0.005	34%	0.339	C	S	.	.	H	α-helix	trans	-59.6	-42.8	-179.7	-70.8	-174.8	80.1	0	0	112	W157 F160 L168 I175 W177 V211 L222 M223 H228 V229 L230	W157-M226 HydrophobicContact CH2-CB 4.24Å; W157-M226 HydrophobicContact CH2-CE 3.65Å; W157-M226 HydrophobicContact CH2-SD 4.28Å; W157-M226 HydrophobicContact CZ2-CB 3.91Å; W157-M226 HydrophobicContact CZ2-CE 4.37Å; W157-M226 HydrophobicContact CZ3-CE 4.14Å; F160-M226 HydrophobicContact CE1-CE 3.85Å; F160-M226 HydrophobicContact CZ-CE 3.77Å; L168-M226 HydrophobicContact CD2-CG 4.07Å; I175-M226 HydrophobicContact CD1-CG 3.8Å; I175-M226 HydrophobicContact CG2-CG 4.26Å; I175-M226 HydrophobicContact CG2-SD 3.85Å; W177-M226 HydrophobicContact CB-CE 3.81Å; W177-M226 HydrophobicContact CB-SD 4.41Å; W177-M226 HydrophobicContact CG-CE 3.96Å; V211-M226 HydrophobicContact CG2-SD 4.35Å; L222-M226 WeakPolarHBondContact O-CG 3.36Å; L222-M226 PolarHBondContact O-N 3.17Å; M223-M226 PolarHBondContact O-N 2.94Å; M223-M226 HydrophobicContact SD-SD 4.11Å; M226-H228 VanDerWaalsContact C-N 3.34Å; M226-H228 PolarHBondContact O-N 3.07Å; M226-V229 PolarHBondContact O-N 2.85Å; M226-L230 HydrophobicContact CB-CD1 4.3Å; M226-L230 HydrophobicContact CE-CD1 3.95Å; M226-L230 VanDerWaalsContact O-CB 3.22Å; M226-L230 WeakPolarHBondContact O-CB 3.35Å; M226-L230 WeakPolarHBondContact O-CG 3.39Å; M226-L230 PolarHBondContact O-N 3.37Å
227	N	88.9	Confident	85.2	Confident	57 Å²	57	66.2 Å²	66.2	31%	0.305	36%	0.359	S	S	.	.	H	α-helix	trans	-70.1	-29.3	177.8	-73.9	-50.5	0	0	0	113.3	W157 M223 E224 V225 G231	W157-N227 PolarHBondContact NE1-OD1 2.9Å; M223-N227 WeakPolarHBondContact O-CB 3.41Å; M223-N227 PolarHBondContact O-N 2.89Å; M223-N227 PolarHBondContact O-ND2 3.16Å; E224-N227 PolarHBondContact O-N 3.09Å; V225-N227 VanDerWaalsContact C-N 3.33Å; V225-N227 PolarHBondContact O-N 2.88Å; N227-G231 CarbonylContact O-C 3.39Å; N227-G231 WeakPolarHBondContact O-CA 3.39Å; N227-G231 PolarHBondContact O-N 3.17Å; N227-G231 VanDerWaalsContact O-O 3.06Å
228	H	86.8	Confident	85	Confident	101 Å²	101	64.9 Å²	64.9	47%	0.468	35%	0.354	S	S	.	.	H	α-helix	trans	-67.4	-44.2	173.8	-175	80.7	0	0	0	111.5	E224 V225 M226 T746	E224-H228 PolarHBondContact O-N 3.49Å; V225-H228 WeakPolarHBondContact O-CB 3.28Å; V225-H228 PolarHBondContact O-N 3.21Å; V225-H228 VanDerWaalsContact O-N 3.16Å; M226-H228 VanDerWaalsContact C-N 3.34Å; M226-H228 PolarHBondContact O-N 3.07Å; H228-T746 HydrophobicContact CB-CG2 4.15Å
229	V	85.9	Confident	84.1	Confident	36 Å²	36	63.2 Å²	63.2	22%	0.218	34%	0.339	C	S	.	.	H	α-helix	trans	-83.2	-43	-175.2	-178.6	0	0	0	0	112.7	L170 V225 M226	L170-V229 HydrophobicContact CD1-CG2 4.1Å; L170-V229 HydrophobicContact CD2-CG1 3.96Å; L170-V229 HydrophobicContact CD2-CG2 4.27Å; V225-V229 HydrophobicContact CG1-CG2 4.42Å; V225-V229 WeakPolarHBondContact O-CG2 3.13Å; V225-V229 PolarHBondContact O-N 2.9Å; M226-V229 PolarHBondContact O-N 2.85Å
230	L	86.8	Confident	83.1	Confident	11 Å²	11	66.8 Å²	66.8	6%	0.058	36%	0.36	C	S	.	.	H	α-helix	trans	-91.5	-7.1	-174.8	-58.3	169.9	0	0	0	113.5	L139 M155 W157 F160 L168 M226	L139-L230 HydrophobicContact CD2-CD2 4.46Å; M155-L230 HydrophobicContact CB-CD2 4.15Å; W157-L230 HydrophobicContact CD2-CB 4.42Å; W157-L230 HydrophobicContact CD2-CD1 4.27Å; W157-L230 HydrophobicContact CG-CB 4.27Å; W157-L230 HydrophobicContact CH2-CD1 4.37Å; W157-L230 HydrophobicContact CZ2-CD1 4.09Å; F160-L230 HydrophobicContact CE2-CD1 3.59Å; F160-L230 HydrophobicContact CE2-CD2 4.42Å; F160-L230 HydrophobicContact CZ-CD1 3.67Å; L168-L230 HydrophobicContact CD1-CD2 4.15Å; L168-L230 HydrophobicContact CD2-CD1 4.28Å; L168-L230 HydrophobicContact CD2-CG 4.36Å; M226-L230 HydrophobicContact CB-CD1 4.3Å; M226-L230 HydrophobicContact CE-CD1 3.95Å; M226-L230 VanDerWaalsContact O-CB 3.22Å; M226-L230 WeakPolarHBondContact O-CB 3.35Å; M226-L230 WeakPolarHBondContact O-CG 3.39Å; M226-L230 PolarHBondContact O-N 3.37Å
231	G	85.5	Confident	81.7	Confident	32 Å²	32	67.4 Å²	67.4	33%	0.33	36%	0.364	S	S	.	.			trans	83.5	-165.9	-174.6	0	0	0	0	0	114.1	W157 N227 R233	W157-G231 PolarHBondContact NE1-O 3.34Å; N227-G231 CarbonylContact O-C 3.39Å; N227-G231 WeakPolarHBondContact O-CA 3.39Å; N227-G231 PolarHBondContact O-N 3.17Å; N227-G231 VanDerWaalsContact O-O 3.06Å; G231-R233 PolarHBondContact O-N 3.09Å
232	K	81.3	Confident	79.9	Confident	200 Å²	200	67.4 Å²	67.4	87%	0.87	37%	0.368	S	S	*	.	S	Bend	trans	-65.4	129.1	-174.3	-171.6	179.5	-179.8	-177.7	0	111.7	G234	K232-G234 PolarHBondContact O-N 3.48Å
233	R	82.7	Confident	78	Confident	69 Å²	69	73.9 Å²	73.9	26%	0.26	41%	0.407	S	S	.	.			trans	-53.7	119.5	172.5	-169.4	71.7	174.2	98.8	-12	111.9	E216 G231	E216-R233 IonicContact OE1-CZ 3.71Å; E216-R233 IonicContact OE1-NE 2.82Å; E216-R233 IonicContact OE1-NH2 3.72Å; E216-R233 PolarHBondContact OE1-NH2 3.36Å; E216-R233 IonicContact OE2-NE 3.45Å; G231-R233 PolarHBondContact O-N 3.09Å
234	G	79.3	Confident	75.9	Confident	41 Å²	41	76.3 Å²	76.3	42%	0.423	42%	0.423	S	S	.	.			trans	-109	-177.8	171.4	0	0	0	0	0	112.8	K232	K232-G234 PolarHBondContact O-N 3.48Å
235	E	80.8	Confident	74	Confident	197 Å²	197	75 Å²	75	92%	0.921	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-69.7	137.7	173.4	-71.6	-174.9	167.9	0	0	111.7
236	L	85.1	Confident	72.2	Confident	30 Å²	30	81 Å²	81	16%	0.157	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-86.8	142.9	176.6	-64	-175.4	0	0	0	111.5	F160 R162 W177	F160-L236 HydrophobicContact CB-CD2 3.46Å; F160-L236 VanDerWaalsContact CB-CD2 3.46Å; R162-L236 HydrophobicContact CG-CB 3.82Å; R162-L236 HydrophobicContact CG-CD1 4.24Å; W177-L236 HydrophobicContact CH2-CD1 3.35Å; W177-L236 HydrophobicContact CZ2-CD1 3.59Å; W177-L236 HydrophobicContact CZ3-CD1 4.46Å
237	K	83.7	Confident	70.1	Confident	147 Å²	147	85.7 Å²	85.7	64%	0.639	48%	0.479	S	S	*	.	B	Isolated β-bridge	trans	-75.3	154.9	171.9	-61.9	173.8	-175	167	0	110.5	N161 R162	N161-K237 WeakPolarHBondContact CA-O 3.46Å; N161-K237 WeakPolarHBondContact CB-O 3.16Å; R162-K237 PolarHBondContact N-O 3.28Å
238	A	77.4	Confident	68	Low	72 Å²	72	86.5 Å²	86.5	60%	0.595	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-63.6	152.5	164.5	0	0	0	0	0	109.9
239	A	67	Low	66.2	Low	32 Å²	32	84.8 Å²	84.8	26%	0.264	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-62.1	144	173.6	0	0	0	0	0	110.6	P241	A239-P241 WeakPolarHBondContact O-CD 2.81Å
240	V	64.1	Low	64.4	Low	106 Å²	106	87.6 Å²	87.6	64%	0.642	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-81.6	117.9	172.2	179.8	0	0	0	0	107	K143 D242	K143-V240 PolarHBondContact NZ-O 2.84Å; V240-D242 PolarHBondContact O-N 2.89Å
241	P	55.9	Low	62.7	Low	100 Å²	100	89.4 Å²	89.4	65%	0.649	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-57.2	138.5	175.3	-20.7	31.9	0	0	0	109.9	A239 T243	A239-P241 WeakPolarHBondContact O-CD 2.81Å; P241-T243 PolarHBondContact O-N 2.73Å
242	D	47.5	Very low	61.8	Low	79 Å²	79	90.1 Å²	90.1	42%	0.422	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-59.3	131.6	172.4	-69.6	-22.8	0	0	0	109	K143 V240 V244	K143-D242 WeakPolarHBondContact CE-OD1 3.37Å; K143-D242 IonicContact NZ-OD1 3.63Å; K143-D242 PolarHBondContact NZ-OD1 3.06Å; V240-D242 PolarHBondContact O-N 2.89Å; D242-V244 WeakPolarHBondContact O-CG2 3.23Å; D242-V244 PolarHBondContact O-N 2.93Å
243	T	46.8	Very low	61.6	Low	137 Å²	137	80.8 Å²	80.8	84%	0.84	48%	0.476	S	S	*	.			trans	-63	103.4	-175.4	41.2	0	0	0	0	109.6	P241 V245	P241-T243 PolarHBondContact O-N 2.73Å; T243-V245 PolarHBondContact O-N 2.93Å
244	V	44.7	Very low	61.8	Low	68 Å²	68	81 Å²	81	41%	0.412	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-75	116.4	177.1	-175.9	0	0	0	0	108.5	D242 E246 L632	D242-V244 WeakPolarHBondContact O-CG2 3.23Å; D242-V244 PolarHBondContact O-N 2.93Å; V244-E246 PolarHBondContact O-N 3.36Å; V244-L632 HydrophobicContact CG1-CD1 4.05Å; V244-L632 HydrophobicContact CG1-CD2 4.42Å
245	V	48.2	Very low	62.2	Low	59 Å²	59	79.1 Å²	79.1	36%	0.358	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-68.2	125.7	169.9	168.5	0	0	0	0	109.4	T243 L249 K250 L293	T243-V245 PolarHBondContact O-N 2.93Å; V245-L249 HydrophobicContact CG1-CB 4.37Å; V245-K250 HydrophobicContact CG1-CG 4.38Å; V245-L293 HydrophobicContact CB-CD2 4.17Å; V245-L293 HydrophobicContact CG1-CD1 3.38Å; V245-L293 HydrophobicContact CG1-CD2 3.27Å; V245-L293 HydrophobicContact CG1-CG 3.92Å; V245-L293 HydrophobicContact CG2-CD2 3.8Å
246	E	48.1	Very low	62.7	Low	127 Å²	127	70.2 Å²	70.2	59%	0.593	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-62	135.3	-179.6	-63.6	-175.9	159.2	0	0	111.9	V244 A248 L249	V244-E246 PolarHBondContact O-N 3.36Å; E246-A248 PolarHBondContact O-N 3.47Å; E246-L249 HydrophobicContact CB-CD1 4.21Å; E246-L249 WeakPolarHBondContact O-CB 3.48Å; E246-L249 PolarHBondContact O-N 2.93Å
247	P	45.1	Very low	62.8	Low	99 Å²	99	70.8 Å²	70.8	64%	0.643	42%	0.419	S	S	*	.	H	α-helix	trans	-53.6	-28.6	176	-27.7	34.4	0	0	0	114.3	L249 K250 A251	P247-L249 VanDerWaalsContact C-N 3.33Å; P247-L249 PolarHBondContact O-N 2.84Å; P247-K250 PolarHBondContact O-N 3.48Å; P247-A251 PolarHBondContact O-N 3.23Å
248	A	45.3	Very low	62.8	Low	73 Å²	73	63.9 Å²	63.9	60%	0.603	39%	0.389	S	S	*	.	H	α-helix	trans	-63.7	-34.5	176.6	0	0	0	0	0	113.1	E246 A251 A252	E246-A248 PolarHBondContact O-N 3.47Å; A248-A251 PolarHBondContact O-N 3.1Å; A248-A252 PolarHBondContact O-N 3.35Å
249	L	48.8	Very low	62.7	Low	66 Å²	66	61.8 Å²	61.8	35%	0.346	37%	0.37	S	S	.	.	H	α-helix	trans	-71.1	-36.5	175.7	-78.7	150.3	0	0	0	111.5	V245 E246 P247 A251 A252 G291 L293	V245-L249 HydrophobicContact CG1-CB 4.37Å; E246-L249 HydrophobicContact CB-CD1 4.21Å; E246-L249 WeakPolarHBondContact O-CB 3.48Å; E246-L249 PolarHBondContact O-N 2.93Å; P247-L249 VanDerWaalsContact C-N 3.33Å; P247-L249 PolarHBondContact O-N 2.84Å; L249-A251 PolarHBondContact O-N 3.35Å; L249-A252 PolarHBondContact O-N 3.1Å; L249-G291 WeakPolarHBondContact CD2-O 3.31Å; L249-L293 HydrophobicContact CB-CD1 3.7Å; L249-L293 HydrophobicContact CB-CD2 4.38Å; L249-L293 HydrophobicContact CB-CG 4.09Å
250	K	49.2	Very low	62.8	Low	94 Å²	94	62.4 Å²	62.4	41%	0.409	37%	0.369	S	S	.	.	H	α-helix	trans	-65.3	-25.5	175.3	-69.1	-174.5	179.8	-178.3	0	112.8	V245 P247 R273 Q290 L293	V245-K250 HydrophobicContact CG1-CG 4.38Å; P247-K250 PolarHBondContact O-N 3.48Å; K250-R273 PolarHBondContact O-NH2 2.7Å; K250-R273 VanDerWaalsContact O-NH2 3.15Å; K250-Q290 PolarHBondContact O-NE2 3.03Å; K250-L293 HydrophobicContact CB-CD1 4.48Å; K250-L293 HydrophobicContact CG-CD1 3.79Å
251	A	51	Low	62.9	Low	49 Å²	49	61.4 Å²	61.4	41%	0.405	37%	0.371	S	S	.	.	H	α-helix	trans	-84.8	-18.8	-179.2	0	0	0	0	0	114	P247 A248 L249 L253 R273	P247-A251 PolarHBondContact O-N 3.23Å; A248-A251 PolarHBondContact O-N 3.1Å; L249-A251 PolarHBondContact O-N 3.35Å; A251-L253 PolarHBondContact O-N 3.08Å; A251-L253 VanDerWaalsContact O-N 3.16Å; A251-R273 PolarHBondContact O-NE 2.86Å; A251-R273 PolarHBondContact O-NH2 3.24Å
252	A	65.6	Low	63	Low	47 Å²	47	62.9 Å²	62.9	39%	0.388	37%	0.37	S	S	.	.			trans	-80.2	94.7	179.6	0	0	0	0	0	110.8	A248 L249 Q290 G291	A248-A252 PolarHBondContact O-N 3.35Å; L249-A252 PolarHBondContact O-N 3.1Å; A252-Q290 CarbonylContact O-C 3.53Å; A252-Q290 WeakPolarHBondContact O-CA 3.34Å; A252-G291 PolarHBondContact O-N 3.01Å
253	L	77.8	Confident	63.3	Low	5 Å²	5	62.4 Å²	62.4	3%	0.026	38%	0.384	C	S	.	.			trans	-109.1	127.9	172.6	-72.5	172.5	0	0	0	111.2	A251 R273 L275 L288 D289 Q290 L345	A251-L253 PolarHBondContact O-N 3.08Å; A251-L253 VanDerWaalsContact O-N 3.16Å; L253-R273 HydrophobicContact CB-CG 3.96Å; L253-R273 HydrophobicContact CD1-CG 4.39Å; L253-R273 VanDerWaalsContact CD1-NE 3.31Å; L253-R273 VanDerWaalsContact CD1-NH2 3.29Å; L253-L275 HydrophobicContact CB-CD1 4.48Å; L253-L288 HydrophobicContact CB-CD1 4.42Å; L253-L288 HydrophobicContact CD2-CD1 4.19Å; L253-L288 HydrophobicContact CD2-CG 4.32Å; L253-D289 WeakPolarHBondContact CA-O 3.2Å; L253-Q290 HydrophobicContact CD2-CB 3.85Å; L253-Q290 HydrophobicContact CD2-CG 3.76Å; L253-L345 HydrophobicContact CD1-CB 4.12Å; L253-L345 HydrophobicContact CD1-CD2 3.77Å; L253-L345 HydrophobicContact CD1-CG 4.43Å; L253-L345 HydrophobicContact CD2-CD1 4.46Å; L253-L345 HydrophobicContact CD2-CD2 4.29Å
254	K	85.8	Confident	64	Low	74 Å²	74	61.8 Å²	61.8	32%	0.322	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	127.4	174.3	-65.8	-171.6	161.5	-137.9	0	110.7	Y256 E269 T272 D289	K254-Y256 HydrophobicContact CB-CD2 4.36Å; K254-Y256 HydrophobicContact CB-CE2 3.57Å; K254-Y256 WeakPolarHBondContact CD-OH 3.39Å; K254-E269 VanDerWaalsContact NZ-CD 3.34Å; K254-E269 IonicContact NZ-OE1 3.87Å; K254-E269 PolarHBondContact NZ-OE1 3.16Å; K254-E269 IonicContact NZ-OE2 3.92Å; K254-E269 PolarHBondContact NZ-OE2 3.11Å; K254-T272 HydrophobicContact CG-CG2 4.28Å; K254-D289 HydrophobicContact CB-CB 4.45Å; K254-D289 PolarHBondContact N-O 3.14Å; K254-D289 PolarHBondContact O-N 3.19Å
255	L	89.2	Confident	65.1	Low	1 Å²	1	61.8 Å²	61.8	1%	0.005	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	131.5	175.1	-173.9	68.3	0	0	0	109.6	V270 A271 L275 L279 L280 Y286 L288	L255-V270 PolarHBondContact O-N 3.09Å; L255-A271 HydrophobicContact CB-CB 4.43Å; L255-A271 PolarHBondContact N-O 2.86Å; L255-A271 PolarHBondContact O-N 3.45Å; L255-L275 HydrophobicContact CB-CD2 3.99Å; L255-L279 HydrophobicContact CD2-CB 3.79Å; L255-L279 HydrophobicContact CD2-CD1 4.17Å; L255-L280 HydrophobicContact CD1-CD2 4.24Å; L255-L280 HydrophobicContact CD2-CD2 4.37Å; L255-Y286 HydrophobicContact CD1-CD1 4.35Å; L255-Y286 HydrophobicContact CD2-CD1 4.37Å; L255-Y286 HydrophobicContact CG-CD1 4.29Å; L255-L288 HydrophobicContact CB-CD1 4.28Å; L255-L288 HydrophobicContact CD1-CB 4.02Å; L255-L288 HydrophobicContact CD1-CD1 4.24Å
256	Y	89.9	Confident	66.2	Low	10 Å²	10	60.9 Å²	60.9	4%	0.039	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	140.8	176.4	-57.7	-100.2	0	0	0	110.1	K254 V267 R268 E269 Y286 I287 D289 F318 K322	K254-Y256 HydrophobicContact CB-CD2 4.36Å; K254-Y256 HydrophobicContact CB-CE2 3.57Å; K254-Y256 WeakPolarHBondContact CD-OH 3.39Å; Y256-V267 HydrophobicContact CD1-CG1 3.9Å; Y256-V267 HydrophobicContact CG-CG1 3.95Å; Y256-R268 CarbonylContact C-O 3.57Å; Y256-R268 WeakPolarHBondContact CA-O 3.35Å; Y256-R268 WeakPolarHBondContact CB-O 3.4Å; Y256-E269 HydrophobicContact CD1-CB 3.88Å; Y256-E269 HydrophobicContact CD1-CG 4.44Å; Y256-E269 HydrophobicContact CE1-CB 3.81Å; Y256-E269 HydrophobicContact CE1-CG 4.16Å; Y256-Y286 CarbonylContact O-C 3.59Å; Y256-Y286 VanDerWaalsContact O-CA 3.24Å; Y256-Y286 WeakPolarHBondContact O-CA 3.36Å; Y256-Y286 WeakPolarHBondContact O-CB 3.35Å; Y256-I287 PolarHBondContact N-O 3.5Å; Y256-I287 PolarHBondContact O-N 2.77Å; Y256-D289 HydrophobicContact CD2-CB 4.24Å; Y256-D289 HydrophobicContact CE2-CB 3.66Å; Y256-F318 HydrophobicContact CD1-CE2 4.32Å; Y256-F318 HydrophobicContact CD2-CE2 4.17Å; Y256-F318 AromaticContact CD2-CZ 3.96Å; Y256-F318 HydrophobicContact CD2-CZ 3.96Å; Y256-F318 HydrophobicContact CE1-CE2 4.28Å; Y256-F318 HydrophobicContact CE1-CZ 4.43Å; Y256-F318 HydrophobicContact CE2-CE2 4.12Å; Y256-F318 AromaticContact CE2-CZ 3.61Å; Y256-F318 HydrophobicContact CE2-CZ 3.61Å; Y256-F318 HydrophobicContact CG-CE2 4.27Å; Y256-F318 AromaticContact CZ-CZ 3.86Å; Y256-K322 WeakPolarHBondContact OH-CE 3.31Å; Y256-K322 PolarHBondContact OH-NZ 3.41Å
257	H	88.1	Confident	67.8	Low	42 Å²	42	57.2 Å²	57.2	19%	0.194	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	134.6	170.2	174	-126.5	0	0	0	108.8	V267 R268 V270 D284 Y286	H257-V267 WeakPolarHBondContact O-CA 3.5Å; H257-R268 PolarHBondContact N-O 3.06Å; H257-R268 PolarHBondContact O-N 2.9Å; H257-V270 HydrophobicContact CB-CG2 3.36Å; H257-D284 IonicContact CE1-OD1 3.72Å; H257-D284 WeakPolarHBondContact NE2-CB 3.37Å; H257-D284 IonicContact NE2-OD1 3.08Å; H257-D284 PolarHBondContact NE2-OD1 3.2Å; H257-D284 IonicContact NE2-OD2 3.92Å; H257-Y286 HydrophobicContact CB-CD1 4.14Å; H257-Y286 HydrophobicContact CB-CE1 3.98Å; H257-Y286 AromaticContact CD2-CE1 3.85Å; H257-Y286 AromaticContact CD2-CZ 3.94Å
258	V	83.3	Confident	69.6	Low	2 Å²	2	58.8 Å²	58.8	1%	0.012	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	122.6	176.1	-175.6	0	0	0	0	107.3	L265 V267 C285 I287	V258-L265 HydrophobicContact CG1-CD1 3.55Å; V258-L265 HydrophobicContact CG1-CD2 4.18Å; V258-L265 HydrophobicContact CG1-CG 3.9Å; V258-V267 HydrophobicContact CG2-CG2 4.43Å; V258-C285 HydrophobicContact CB-CB 4.3Å; V258-C285 PolarHBondContact N-O 3.31Å; V258-I287 HydrophobicContact CG2-CB 4.43Å; V258-I287 HydrophobicContact CG2-CD1 3.61Å; V258-I287 HydrophobicContact CG2-CG1 3.64Å
259	S	76.6	Confident	71.6	Confident	28 Å²	28	60 Å²	60	20%	0.196	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	134.4	177.3	-173.6	0	0	0	0	111.3	A261 V266	S259-A261 WeakPolarHBondContact OG-CB 3.32Å; S259-A261 PolarHBondContact OG-N 2.8Å; S259-V266 PolarHBondContact N-O 2.96Å; S259-V266 VanDerWaalsContact N-O 3.07Å; S259-V266 PolarHBondContact O-N 3.07Å
260	D	68.9	Low	73.3	Confident	45 Å²	45	60 Å²	60	24%	0.241	34%	0.343	C	S	.	.			trans	-97.8	4.6	171.8	72	7	0	0	0	114.2	E262 G263 N304 E307	D260-E262 PolarHBondContact O-N 2.83Å; D260-G263 PolarHBondContact O-N 2.96Å; D260-N304 PolarHBondContact OD2-ND2 3.39Å; D260-E307 HydrophobicContact CB-CG 4.27Å; D260-E307 VanDerWaalsContact CG-OE1 3.23Å; D260-E307 PolarHBondContact N-OE1 2.88Å; D260-E307 WeakPolarHBondContact OD2-CG 3.33Å
261	A	64.8	Low	74.7	Confident	84 Å²	84	56.4 Å²	56.4	69%	0.694	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-22.5	-169.8	0	0	0	0	0	114.9	S259	S259-A261 WeakPolarHBondContact OG-CB 3.32Å; S259-A261 PolarHBondContact OG-N 2.8Å
262	E	58.4	Low	76.1	Confident	131 Å²	131	57.8 Å²	57.8	61%	0.612	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	9	177.9	-65.8	176.1	-166.7	0	0	112.9	D260 N264 R268	D260-E262 PolarHBondContact O-N 2.83Å; E262-N264 PolarHBondContact O-N 2.99Å; E262-R268 IonicContact OE1-CZ 3.84Å; E262-R268 IonicContact OE1-NH2 2.76Å; E262-R268 PolarHBondContact OE1-NH2 3.1Å; E262-R268 IonicContact OE2-NH2 3.63Å
263	G	54.8	Low	76	Confident	70 Å²	70	59.1 Å²	59.1	72%	0.722	33%	0.329	S	S	*	.	S	Bend	trans	79.1	-8.1	-178.3	0	0	0	0	0	114.6	D260	D260-G263 PolarHBondContact O-N 2.96Å
264	N	61.3	Low	75.6	Confident	124 Å²	124	63 Å²	63	66%	0.663	35%	0.354	S	S	*	.	S	Bend	trans	-122.8	143.4	167.4	-69.4	-47.8	0	0	0	108.6	E262 V266	E262-N264 PolarHBondContact O-N 2.99Å; N264-V266 WeakPolarHBondContact O-CG2 3.25Å; N264-V266 PolarHBondContact O-N 2.96Å
265	L	66.1	Low	75.2	Confident	68 Å²	68	59.5 Å²	59.5	36%	0.356	34%	0.339	S	S	.	.			trans	-67.4	114.7	176.4	-166.6	97.2	0	0	0	110.1	V258 V267 H314	V258-L265 HydrophobicContact CG1-CD1 3.55Å; V258-L265 HydrophobicContact CG1-CD2 4.18Å; V258-L265 HydrophobicContact CG1-CG 3.9Å; L265-V267 HydrophobicContact CD2-CG2 4.22Å; L265-H314 WeakPolarHBondContact CD1-CE1 3.34Å; L265-H314 HydrophobicContact CD2-CB 4.28Å; L265-H314 WeakPolarHBondContact CD2-ND1 3.31Å
266	V	72.8	Confident	74.8	Confident	40 Å²	40	61.2 Å²	61.2	24%	0.242	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	128.2	176.2	-168.3	0	0	0	0	109.2	S259 N264 R268	S259-V266 PolarHBondContact N-O 2.96Å; S259-V266 VanDerWaalsContact N-O 3.07Å; S259-V266 PolarHBondContact O-N 3.07Å; N264-V266 WeakPolarHBondContact O-CG2 3.25Å; N264-V266 PolarHBondContact O-N 2.96Å; V266-R268 HydrophobicContact CG1-CG 3.79Å
267	V	80.8	Confident	74.4	Confident	50 Å²	50	63.2 Å²	63.2	30%	0.303	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	112.3	174.4	-176.2	0	0	0	0	108.2	Y256 H257 V258 L265 F318	Y256-V267 HydrophobicContact CD1-CG1 3.9Å; Y256-V267 HydrophobicContact CG-CG1 3.95Å; H257-V267 WeakPolarHBondContact O-CA 3.5Å; V258-V267 HydrophobicContact CG2-CG2 4.43Å; L265-V267 HydrophobicContact CD2-CG2 4.22Å; V267-F318 HydrophobicContact CG1-CD2 4.01Å; V267-F318 HydrophobicContact CG1-CE2 3.98Å
268	R	83.3	Confident	74.2	Confident	131 Å²	131	67.6 Å²	67.6	49%	0.494	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	133.6	-177.7	-61.5	-174.4	179.5	164.8	5.6	110.4	Y256 H257 E262 V266 V270	Y256-R268 CarbonylContact C-O 3.57Å; Y256-R268 WeakPolarHBondContact CA-O 3.35Å; Y256-R268 WeakPolarHBondContact CB-O 3.4Å; H257-R268 PolarHBondContact N-O 3.06Å; H257-R268 PolarHBondContact O-N 2.9Å; E262-R268 IonicContact OE1-CZ 3.84Å; E262-R268 IonicContact OE1-NH2 2.76Å; E262-R268 PolarHBondContact OE1-NH2 3.1Å; E262-R268 IonicContact OE2-NH2 3.63Å; V266-R268 HydrophobicContact CG1-CG 3.79Å; R268-V270 PolarHBondContact O-N 2.61Å
269	E	86.6	Confident	74.3	Confident	99 Å²	99	69.6 Å²	69.6	46%	0.463	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	125.7	173.6	-170.3	171.3	150.5	0	0	109.2	K254 Y256	K254-E269 VanDerWaalsContact NZ-CD 3.34Å; K254-E269 IonicContact NZ-OE1 3.87Å; K254-E269 PolarHBondContact NZ-OE1 3.16Å; K254-E269 IonicContact NZ-OE2 3.92Å; K254-E269 PolarHBondContact NZ-OE2 3.11Å; Y256-E269 HydrophobicContact CD1-CB 3.88Å; Y256-E269 HydrophobicContact CD1-CG 4.44Å; Y256-E269 HydrophobicContact CE1-CB 3.81Å; Y256-E269 HydrophobicContact CE1-CG 4.16Å
270	V	84.9	Confident	74.8	Confident	67 Å²	67	68.9 Å²	68.9	41%	0.406	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	-45.7	-176.2	179.4	0	0	0	0	110.8	L255 H257 R268	L255-V270 PolarHBondContact O-N 3.09Å; H257-V270 HydrophobicContact CB-CG2 3.36Å; R268-V270 PolarHBondContact O-N 2.61Å
271	A	79.8	Confident	75.8	Confident	18 Å²	18	68.4 Å²	68.4	15%	0.149	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	151.8	-173.1	0	0	0	0	0	112.5	L255 L275 L279	L255-A271 HydrophobicContact CB-CB 4.43Å; L255-A271 PolarHBondContact N-O 2.86Å; L255-A271 PolarHBondContact O-N 3.45Å; A271-L275 HydrophobicContact CB-CD2 3.87Å; A271-L279 HydrophobicContact CB-CD1 3.75Å
272	T	78.6	Confident	76.9	Confident	77 Å²	77	68.9 Å²	68.9	47%	0.472	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	173.1	160.4	59.1	0	0	0	0	109	K254	K254-T272 HydrophobicContact CG-CG2 4.28Å
273	R	64.9	Low	78.3	Confident	76 Å²	76	66.8 Å²	66.8	29%	0.287	37%	0.369	S	S	.	.	S	Bend	trans	-50.5	146.5	176.5	-65.3	-173.4	-179.8	-169	-1.1	112.5	K250 A251 L253	K250-R273 PolarHBondContact O-NH2 2.7Å; K250-R273 VanDerWaalsContact O-NH2 3.15Å; A251-R273 PolarHBondContact O-NE 2.86Å; A251-R273 PolarHBondContact O-NH2 3.24Å; L253-R273 HydrophobicContact CB-CG 3.96Å; L253-R273 HydrophobicContact CD1-CG 4.39Å; L253-R273 VanDerWaalsContact CD1-NE 3.31Å; L253-R273 VanDerWaalsContact CD1-NH2 3.29Å
274	P	68.2	Low	79.8	Confident	85 Å²	85	65.3 Å²	65.3	55%	0.552	35%	0.345	S	S	*	.	S	Bend	cis	-76.4	138.5	-5.2	31.4	-33.6	0	0	0	112
275	L	78.8	Confident	81.2	Confident	2 Å²	2	59.5 Å²	59.5	1%	0.01	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-91.2	137.3	176.9	-58.4	176.7	0	0	0	109.9	L253 L255 A271 L279 L288 F346 Q347	L253-L275 HydrophobicContact CB-CD1 4.48Å; L255-L275 HydrophobicContact CB-CD2 3.99Å; A271-L275 HydrophobicContact CB-CD2 3.87Å; L275-L279 HydrophobicContact CB-CD1 4.39Å; L275-L279 HydrophobicContact CD2-CD1 4.07Å; L275-L288 HydrophobicContact CD1-CD1 3.46Å; L275-L288 VanDerWaalsContact CD1-CD1 3.46Å; L275-L288 HydrophobicContact CD1-CD2 4.37Å; L275-F346 HydrophobicContact CB-CD1 3.65Å; L275-F346 HydrophobicContact CB-CE1 3.96Å; L275-F346 HydrophobicContact CB-CG 4.29Å; L275-F346 HydrophobicContact CD1-CE1 4.5Å; L275-F346 CarbonylContact O-C 3.47Å; L275-F346 VanDerWaalsContact O-CA 3.3Å; L275-F346 WeakPolarHBondContact O-CA 3.35Å; L275-Q347 WeakPolarHBondContact O-CB 3.13Å; L275-Q347 PolarHBondContact O-N 3.17Å
276	T	80.4	Confident	82.4	Confident	37 Å²	37	57.1 Å²	57.1	23%	0.227	30%	0.3	C	S	.	.			trans	-119	149.4	176.4	58	0	0	0	0	110.4	D278 L279 Q347	T276-D278 WeakPolarHBondContact CB-OD1 3.2Å; T276-D278 PolarHBondContact O-N 3.1Å; T276-D278 PolarHBondContact OG1-OD1 2.6Å; T276-L279 VanDerWaalsContact O-CB 3.31Å; T276-L279 WeakPolarHBondContact O-CB 3.4Å; T276-L279 WeakPolarHBondContact O-CG 3.46Å; T276-L279 PolarHBondContact O-N 3.45Å; T276-L279 VanDerWaalsContact O-N 3.1Å; T276-Q347 HydrophobicContact CG2-CB 4.37Å
277	Q	80.4	Confident	83.4	Confident	51 Å²	51	55.2 Å²	55.2	24%	0.238	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-61.1	-29.4	-173.2	-175.4	-178.2	10.9	0	0	112.7	L279 L280 K348 W349 T350	Q277-L279 PolarHBondContact O-N 2.86Å; Q277-L279 VanDerWaalsContact O-N 3.16Å; Q277-L280 PolarHBondContact O-N 2.63Å; Q277-L280 VanDerWaalsContact O-N 3.08Å; Q277-K348 WeakPolarHBondContact CB-O 3.31Å; Q277-W349 HydrophobicContact CB-CE3 4.4Å; Q277-W349 HydrophobicContact CG-CD2 4.38Å; Q277-W349 HydrophobicContact CG-CE3 4.09Å; Q277-W349 HydrophobicContact CG-CH2 4.49Å; Q277-W349 HydrophobicContact CG-CZ3 4.17Å; Q277-T350 PolarHBondContact NE2-O 3.4Å; Q277-T350 PolarHBondContact OE1-O 3.18Å; Q277-T350 PolarHBondContact OE1-OG1 3.49Å
278	D	83.5	Confident	83.8	Confident	134 Å²	134	53 Å²	53	72%	0.717	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-65.2	-12.2	177.4	58.3	-64.7	0	0	0	114.1	T276 L280	T276-D278 WeakPolarHBondContact CB-OD1 3.2Å; T276-D278 PolarHBondContact O-N 3.1Å; T276-D278 PolarHBondContact OG1-OD1 2.6Å; D278-L280 PolarHBondContact O-N 3.34Å
279	L	85.8	Confident	84	Confident	45 Å²	45	46.9 Å²	46.9	24%	0.236	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-70.4	-19	171.4	-61.9	173.1	0	0	0	112.9	L255 A271 L275 T276 Q277 Y286	L255-L279 HydrophobicContact CD2-CB 3.79Å; L255-L279 HydrophobicContact CD2-CD1 4.17Å; A271-L279 HydrophobicContact CB-CD1 3.75Å; L275-L279 HydrophobicContact CB-CD1 4.39Å; L275-L279 HydrophobicContact CD2-CD1 4.07Å; T276-L279 VanDerWaalsContact O-CB 3.31Å; T276-L279 WeakPolarHBondContact O-CB 3.4Å; T276-L279 WeakPolarHBondContact O-CG 3.46Å; T276-L279 PolarHBondContact O-N 3.45Å; T276-L279 VanDerWaalsContact O-N 3.1Å; Q277-L279 PolarHBondContact O-N 2.86Å; Q277-L279 VanDerWaalsContact O-N 3.16Å; L279-Y286 WeakPolarHBondContact O-CE1 3.49Å; L279-Y286 VanDerWaalsContact O-CZ 3.32Å; L279-Y286 PolarHBondContact O-OH 3.4Å
280	L	88.5	Confident	83.7	Confident	13 Å²	13	43.5 Å²	43.5	7%	0.068	24%	0.236	C	C	.	.	S	Bend	trans	-95.8	104.6	-179.8	-61.3	177	0	0	0	110.5	L255 Q277 D278 Y286 W298 F342 F346 W349	L255-L280 HydrophobicContact CD1-CD2 4.24Å; L255-L280 HydrophobicContact CD2-CD2 4.37Å; Q277-L280 PolarHBondContact O-N 2.63Å; Q277-L280 VanDerWaalsContact O-N 3.08Å; D278-L280 PolarHBondContact O-N 3.34Å; L280-Y286 HydrophobicContact CD2-CD1 4.23Å; L280-Y286 HydrophobicContact CD2-CD2 3.81Å; L280-Y286 HydrophobicContact CD2-CE2 4.34Å; L280-Y286 HydrophobicContact CD2-CG 3.73Å; L280-W298 HydrophobicContact CB-CD2 4.45Å; L280-W298 HydrophobicContact CB-CE3 4.31Å; L280-W298 HydrophobicContact CB-CH2 3.98Å; L280-W298 HydrophobicContact CB-CZ2 4.18Å; L280-W298 HydrophobicContact CB-CZ3 4.07Å; L280-W298 HydrophobicContact CD1-CD2 4.08Å; L280-W298 HydrophobicContact CD1-CG 4.2Å; L280-W298 HydrophobicContact CD1-CZ2 4.46Å; L280-W298 HydrophobicContact CD2-CD2 4.25Å; L280-W298 HydrophobicContact CD2-CE3 4.19Å; L280-W298 HydrophobicContact CD2-CG 4.47Å; L280-F342 HydrophobicContact CD1-CE1 4Å; L280-F342 HydrophobicContact CD1-CZ 4.1Å; L280-F346 HydrophobicContact CD1-CE1 3.91Å; L280-F346 HydrophobicContact CD1-CE2 4.29Å; L280-F346 HydrophobicContact CD1-CZ 3.63Å; L280-F346 HydrophobicContact CD2-CE1 4.49Å; L280-F346 HydrophobicContact CD2-CZ 4.3Å; L280-F346 HydrophobicContact CG-CE1 4.04Å; L280-F346 HydrophobicContact CG-CZ 4.1Å; L280-W349 HydrophobicContact CD1-CH2 3.76Å; L280-W349 HydrophobicContact CD1-CZ3 3.78Å
281	S	88.1	Confident	83	Confident	35 Å²	35	41 Å²	41	25%	0.245	22%	0.224	C	C	.	.			trans	-76.8	126.8	172	172.1	0	0	0	0	111	D283 D284 Y286 W298	S281-D283 PolarHBondContact O-N 3.4Å; S281-D283 PolarHBondContact OG-N 2.84Å; S281-D284 WeakPolarHBondContact CB-OD2 3.31Å; S281-D284 PolarHBondContact O-N 2.99Å; S281-D284 VanDerWaalsContact O-N 3.13Å; S281-D284 PolarHBondContact OG-OD2 2.76Å; S281-Y286 WeakPolarHBondContact CB-OH 3.3Å; S281-Y286 PolarHBondContact N-OH 3.19Å; S281-W298 WeakPolarHBondContact O-CZ3 3.2Å
282	H	89.6	Confident	82.4	Confident	94 Å²	94	40.6 Å²	40.6	44%	0.435	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-16.2	172.8	-63	-67	0	0	0	113.8	G300 K301 K302 A303 D335	H282-G300 CarbonylContact O-C 3.56Å; H282-G300 VanDerWaalsContact O-CA 3.31Å; H282-G300 WeakPolarHBondContact O-CA 3.4Å; H282-K301 PolarHBondContact O-N 2.86Å; H282-K301 VanDerWaalsContact O-N 3.11Å; H282-K302 WeakPolarHBondContact O-CA 3.06Å; H282-K302 WeakPolarHBondContact O-CB 3.34Å; H282-K302 PolarHBondContact O-N 3.47Å; H282-A303 PolarHBondContact O-N 2.98Å; H282-D335 IonicContact CE1-OD1 3.06Å; H282-D335 PolarHBondContact CE1-OD1 2.82Å; H282-D335 IonicContact CE1-OD2 3.55Å; H282-D335 IonicContact CG-OD2 2.63Å; H282-D335 VanDerWaalsContact ND1-CG 3.3Å; H282-D335 IonicContact ND1-OD1 2.62Å; H282-D335 PolarHBondContact ND1-OD1 3.49Å; H282-D335 IonicContact ND1-OD2 2.79Å; H282-D335 PolarHBondContact ND1-OD2 3.49Å
283	D	87	Confident	82	Confident	87 Å²	87	39 Å²	39	47%	0.465	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-3.8	-177.8	-59.7	-58.1	0	0	0	113.6	S281 K302 A303	S281-D283 PolarHBondContact O-N 3.4Å; S281-D283 PolarHBondContact OG-N 2.84Å; D283-K302 WeakPolarHBondContact OD1-CB 3.26Å; D283-K302 WeakPolarHBondContact OD1-CD 3.48Å; D283-A303 VanDerWaalsContact O-CA 3.24Å; D283-A303 WeakPolarHBondContact O-CA 3.26Å
284	D	86.8	Confident	82.7	Confident	39 Å²	39	36.8 Å²	36.8	21%	0.209	20%	0.202	C	C	.	.	S	Bend	trans	-135	168.5	-169.5	-65.7	-80	0	0	0	113.7	H257 S281 Y286 G300	H257-D284 IonicContact CE1-OD1 3.72Å; H257-D284 WeakPolarHBondContact NE2-CB 3.37Å; H257-D284 IonicContact NE2-OD1 3.08Å; H257-D284 PolarHBondContact NE2-OD1 3.2Å; H257-D284 IonicContact NE2-OD2 3.92Å; S281-D284 WeakPolarHBondContact CB-OD2 3.31Å; S281-D284 PolarHBondContact O-N 2.99Å; S281-D284 VanDerWaalsContact O-N 3.13Å; S281-D284 PolarHBondContact OG-OD2 2.76Å; D284-Y286 HydrophobicContact CB-CD2 4.49Å; D284-Y286 HydrophobicContact CB-CE2 3.74Å; D284-G300 VanDerWaalsContact O-CA 3.28Å; D284-G300 WeakPolarHBondContact O-CA 3.45Å; D284-G300 PolarHBondContact O-N 2.81Å
285	C	90.1	Very high	83.8	Confident	2 Å²	2	32.8 Å²	32.8	1%	0.014	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	146.2	170.4	-64.5	0	0	0	0	111.7	V258 W298	V258-C285 HydrophobicContact CB-CB 4.3Å; V258-C285 PolarHBondContact N-O 3.31Å; C285-W298 WeakPolarHBondContact CA-O 3.12Å
286	Y	92.3	Very high	84.3	Confident	18 Å²	18	32.9 Å²	32.9	7%	0.071	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	147.3	-178.3	-64.4	-97.1	0	0	0	111.5	L255 Y256 H257 L279 L280 S281 D284 V297 W298	L255-Y286 HydrophobicContact CD1-CD1 4.35Å; L255-Y286 HydrophobicContact CD2-CD1 4.37Å; L255-Y286 HydrophobicContact CG-CD1 4.29Å; Y256-Y286 CarbonylContact O-C 3.59Å; Y256-Y286 VanDerWaalsContact O-CA 3.24Å; Y256-Y286 WeakPolarHBondContact O-CA 3.36Å; Y256-Y286 WeakPolarHBondContact O-CB 3.35Å; H257-Y286 HydrophobicContact CB-CD1 4.14Å; H257-Y286 HydrophobicContact CB-CE1 3.98Å; H257-Y286 AromaticContact CD2-CE1 3.85Å; H257-Y286 AromaticContact CD2-CZ 3.94Å; L279-Y286 WeakPolarHBondContact O-CE1 3.49Å; L279-Y286 VanDerWaalsContact O-CZ 3.32Å; L279-Y286 PolarHBondContact O-OH 3.4Å; L280-Y286 HydrophobicContact CD2-CD1 4.23Å; L280-Y286 HydrophobicContact CD2-CD2 3.81Å; L280-Y286 HydrophobicContact CD2-CE2 4.34Å; L280-Y286 HydrophobicContact CD2-CG 3.73Å; S281-Y286 WeakPolarHBondContact CB-OH 3.3Å; S281-Y286 PolarHBondContact N-OH 3.19Å; D284-Y286 HydrophobicContact CB-CD2 4.49Å; D284-Y286 HydrophobicContact CB-CE2 3.74Å; Y286-V297 CarbonylContact O-C 3.08Å; Y286-V297 VanDerWaalsContact O-CA 3.3Å; Y286-V297 WeakPolarHBondContact O-CA 3.49Å; Y286-W298 AromaticContact CD2-CE3 3.71Å; Y286-W298 HydrophobicContact CD2-CE3 3.71Å; Y286-W298 AromaticContact CD2-CZ3 3.95Å; Y286-W298 HydrophobicContact CD2-CZ3 3.95Å; Y286-W298 HydrophobicContact CE2-CE3 4.32Å; Y286-W298 HydrophobicContact CE2-CZ3 4.09Å; Y286-W298 PolarHBondContact N-O 3.14Å; Y286-W298 PolarHBondContact O-N 2.8Å
287	I	92.3	Very high	84.9	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	123.6	170.6	-67.7	170.6	0	0	0	107.9	Y256 V258 I295 Y296 V297 F318	Y256-I287 PolarHBondContact N-O 3.5Å; Y256-I287 PolarHBondContact O-N 2.77Å; V258-I287 HydrophobicContact CG2-CB 4.43Å; V258-I287 HydrophobicContact CG2-CD1 3.61Å; V258-I287 HydrophobicContact CG2-CG1 3.64Å; I287-I295 HydrophobicContact CG2-CG2 3.75Å; I287-Y296 CarbonylContact C-O 3.38Å; I287-Y296 WeakPolarHBondContact CA-O 3.02Å; I287-V297 HydrophobicContact CG1-CG2 4.39Å; I287-F318 HydrophobicContact CD1-CB 4.17Å; I287-F318 HydrophobicContact CD1-CD2 4.28Å; I287-F318 HydrophobicContact CD1-CG 4.27Å; I287-F318 HydrophobicContact CG2-CD1 4.22Å; I287-F318 HydrophobicContact CG2-CE1 4.23Å; I287-F318 HydrophobicContact CG2-CG 4.39Å; I287-F318 HydrophobicContact CG2-CZ 4.39Å
288	L	89.7	Confident	85.5	Confident	2 Å²	2	29.1 Å²	29.1	1%	0.01	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	112.3	172.1	175.6	66.6	0	0	0	108.6	L253 L255 L275 Y296 F342 L345 F346	L253-L288 HydrophobicContact CB-CD1 4.42Å; L253-L288 HydrophobicContact CD2-CD1 4.19Å; L253-L288 HydrophobicContact CD2-CG 4.32Å; L255-L288 HydrophobicContact CB-CD1 4.28Å; L255-L288 HydrophobicContact CD1-CB 4.02Å; L255-L288 HydrophobicContact CD1-CD1 4.24Å; L275-L288 HydrophobicContact CD1-CD1 3.46Å; L275-L288 VanDerWaalsContact CD1-CD1 3.46Å; L275-L288 HydrophobicContact CD1-CD2 4.37Å; L288-Y296 HydrophobicContact CD2-CD2 4.45Å; L288-Y296 PolarHBondContact N-O 2.76Å; L288-Y296 PolarHBondContact O-N 3.43Å; L288-F342 HydrophobicContact CB-CE2 4.4Å; L288-F342 HydrophobicContact CD2-CD2 4.2Å; L288-F342 HydrophobicContact CD2-CE2 3.82Å; L288-L345 HydrophobicContact CD2-CB 3.97Å; L288-L345 HydrophobicContact CD2-CD1 3.39Å; L288-L345 HydrophobicContact CD2-CG 4.3Å; L288-L345 HydrophobicContact CG-CD1 4.43Å; L288-F346 HydrophobicContact CD2-CE2 4.36Å; L288-F346 HydrophobicContact CD2-CZ 4.47Å
289	D	87.6	Confident	85.9	Confident	3 Å²	3	23.4 Å²	23.4	2%	0.016	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	122.7	-176.2	176.8	13	0	0	0	110.2	L253 K254 Y256 G291 G292 I295 F318 Y324	L253-D289 WeakPolarHBondContact CA-O 3.2Å; K254-D289 HydrophobicContact CB-CB 4.45Å; K254-D289 PolarHBondContact N-O 3.14Å; K254-D289 PolarHBondContact O-N 3.19Å; Y256-D289 HydrophobicContact CD2-CB 4.24Å; Y256-D289 HydrophobicContact CE2-CB 3.66Å; D289-G291 PolarHBondContact OD1-N 3.15Å; D289-G292 PolarHBondContact OD1-N 3.07Å; D289-G292 VanDerWaalsContact OD1-N 3.17Å; D289-I295 HydrophobicContact CB-CD1 4.09Å; D289-I295 WeakPolarHBondContact OD1-CD1 3.3Å; D289-F318 HydrophobicContact CB-CE1 4.04Å; D289-F318 HydrophobicContact CB-CZ 4.15Å; D289-Y324 PolarHBondContact OD2-OH 3.37Å
290	Q	80.1	Confident	86	Confident	29 Å²	29	21.2 Å²	21.2	14%	0.136	11%	0.114	C	C	.	.			trans	-104.6	55.3	173.5	-163.1	176.8	1.8	0	0	111.2	K250 A252 L253 G292 L293 K294	K250-Q290 PolarHBondContact O-NE2 3.03Å; A252-Q290 CarbonylContact O-C 3.53Å; A252-Q290 WeakPolarHBondContact O-CA 3.34Å; L253-Q290 HydrophobicContact CD2-CB 3.85Å; L253-Q290 HydrophobicContact CD2-CG 3.76Å; Q290-G292 VanDerWaalsContact C-N 3.29Å; Q290-G292 PolarHBondContact O-N 3.47Å; Q290-L293 WeakPolarHBondContact O-CB 3.33Å; Q290-L293 PolarHBondContact O-N 3.32Å; Q290-L293 VanDerWaalsContact O-N 3.11Å; Q290-K294 WeakPolarHBondContact CB-O 3.47Å; Q290-K294 PolarHBondContact N-O 2.95Å
291	G	69.6	Low	85.9	Confident	15 Å²	15	28.1 Å²	28.1	16%	0.155	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	32.5	173.7	0	0	0	0	0	114.1	L249 A252 D289 L293	L249-G291 WeakPolarHBondContact CD2-O 3.31Å; A252-G291 PolarHBondContact O-N 3.01Å; D289-G291 PolarHBondContact OD1-N 3.15Å; G291-L293 PolarHBondContact O-N 3.31Å
292	G	68.6	Low	85.7	Confident	8 Å²	8	33.5 Å²	33.5	8%	0.082	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.7	0.5	-177.9	0	0	0	0	0	116	D289 Q290 T328	D289-G292 PolarHBondContact OD1-N 3.07Å; D289-G292 VanDerWaalsContact OD1-N 3.17Å; Q290-G292 VanDerWaalsContact C-N 3.29Å; Q290-G292 PolarHBondContact O-N 3.47Å; G292-T328 WeakPolarHBondContact O-CG2 3.2Å; G292-T328 PolarHBondContact O-OG1 2.9Å
293	L	69.5	Low	85.5	Confident	45 Å²	45	29.2 Å²	29.2	24%	0.236	14%	0.143	C	C	.	.	S	Bend	trans	-73.6	-49	171.2	-61	176.6	0	0	0	111.2	V245 L249 K250 Q290 G291	V245-L293 HydrophobicContact CB-CD2 4.17Å; V245-L293 HydrophobicContact CG1-CD1 3.38Å; V245-L293 HydrophobicContact CG1-CD2 3.27Å; V245-L293 HydrophobicContact CG1-CG 3.92Å; V245-L293 HydrophobicContact CG2-CD2 3.8Å; L249-L293 HydrophobicContact CB-CD1 3.7Å; L249-L293 HydrophobicContact CB-CD2 4.38Å; L249-L293 HydrophobicContact CB-CG 4.09Å; K250-L293 HydrophobicContact CB-CD1 4.48Å; K250-L293 HydrophobicContact CG-CD1 3.79Å; Q290-L293 WeakPolarHBondContact O-CB 3.33Å; Q290-L293 PolarHBondContact O-N 3.32Å; Q290-L293 VanDerWaalsContact O-N 3.11Å; G291-L293 PolarHBondContact O-N 3.31Å
294	K	80.7	Confident	85.3	Confident	29 Å²	29	28.2 Å²	28.2	13%	0.126	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	139.4	-178.4	-170.3	159.8	179.2	173	0	109.6	Q290 Y296 Q329 E331	Q290-K294 WeakPolarHBondContact CB-O 3.47Å; Q290-K294 PolarHBondContact N-O 2.95Å; K294-Y296 HydrophobicContact CB-CE2 4.31Å; K294-Y296 HydrophobicContact CD-CE1 4.29Å; K294-Y296 HydrophobicContact CD-CE2 4.07Å; K294-Y296 WeakPolarHBondContact CD-OH 3.3Å; K294-Y296 HydrophobicContact CG-CD2 4.4Å; K294-Y296 HydrophobicContact CG-CE2 3.87Å; K294-Q329 HydrophobicContact CB-CB 4.48Å; K294-Q329 HydrophobicContact CD-CB 4.4Å; K294-Q329 HydrophobicContact CG-CB 4.08Å; K294-E331 WeakPolarHBondContact CE-OE2 3.38Å; K294-E331 IonicContact NZ-OE2 3.74Å; K294-E331 PolarHBondContact NZ-OE2 3.34Å
295	I	89.6	Confident	85	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	123.8	176.6	-57.5	-59.8	0	0	0	107.9	I287 D289 A315 F318 I319 Y324 T328 Q329 V330 E331	I287-I295 HydrophobicContact CG2-CG2 3.75Å; D289-I295 HydrophobicContact CB-CD1 4.09Å; D289-I295 WeakPolarHBondContact OD1-CD1 3.3Å; I295-A315 HydrophobicContact CG2-CB 4.17Å; I295-F318 HydrophobicContact CD1-CD1 4.16Å; I295-F318 HydrophobicContact CD1-CE1 3.96Å; I295-I319 HydrophobicContact CG1-CD1 4.19Å; I295-I319 HydrophobicContact CG1-CG1 3.95Å; I295-Y324 HydrophobicContact CD1-CE2 4.47Å; I295-T328 HydrophobicContact CG1-CG2 3.86Å; I295-Q329 PolarHBondContact N-O 3.03Å; I295-V330 HydrophobicContact CB-CG2 4.49Å; I295-V330 VanDerWaalsContact O-CA 3.32Å; I295-V330 WeakPolarHBondContact O-CA 3.39Å; I295-E331 PolarHBondContact O-N 3.32Å
296	Y	90.1	Very high	84.3	Confident	5 Å²	5	38.2 Å²	38.2	2%	0.02	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	138.6	171.4	-59	-96	0	0	0	109.5	I287 L288 K294 E331 V341 F342 L345	I287-Y296 CarbonylContact C-O 3.38Å; I287-Y296 WeakPolarHBondContact CA-O 3.02Å; L288-Y296 HydrophobicContact CD2-CD2 4.45Å; L288-Y296 PolarHBondContact N-O 2.76Å; L288-Y296 PolarHBondContact O-N 3.43Å; K294-Y296 HydrophobicContact CB-CE2 4.31Å; K294-Y296 HydrophobicContact CD-CE1 4.29Å; K294-Y296 HydrophobicContact CD-CE2 4.07Å; K294-Y296 WeakPolarHBondContact CD-OH 3.3Å; K294-Y296 HydrophobicContact CG-CD2 4.4Å; K294-Y296 HydrophobicContact CG-CE2 3.87Å; Y296-E331 CarbonylContact C-O 3.57Å; Y296-E331 VanDerWaalsContact CA-O 3.25Å; Y296-E331 WeakPolarHBondContact CA-O 3.41Å; Y296-E331 HydrophobicContact CD1-CB 3.9Å; Y296-E331 HydrophobicContact CD1-CG 4.38Å; Y296-E331 HydrophobicContact CE1-CB 4.18Å; Y296-E331 WeakPolarHBondContact CE1-OE2 3.46Å; Y296-V341 WeakPolarHBondContact OH-CG1 3.49Å; Y296-F342 HydrophobicContact CD1-CB 4.37Å; Y296-F342 AromaticContact CD1-CD2 3.77Å; Y296-F342 HydrophobicContact CD1-CD2 3.77Å; Y296-F342 HydrophobicContact CE1-CB 4.46Å; Y296-F342 AromaticContact CG-CD2 3.87Å; Y296-F342 HydrophobicContact CG-CD2 3.87Å; Y296-F342 HydrophobicContact CG-CE2 4.4Å; Y296-L345 HydrophobicContact CD2-CD1 4.01Å; Y296-L345 HydrophobicContact CE2-CD1 3.69Å
297	V	92.9	Very high	83.6	Confident	3 Å²	3	37.7 Å²	37.7	2%	0.018	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	119.5	169.3	-170.5	0	0	0	0	108.2	Y286 I287 A311 A315 V330 E331 V332 Q333	Y286-V297 CarbonylContact O-C 3.08Å; Y286-V297 VanDerWaalsContact O-CA 3.3Å; Y286-V297 WeakPolarHBondContact O-CA 3.49Å; I287-V297 HydrophobicContact CG1-CG2 4.39Å; V297-A311 HydrophobicContact CG1-CB 3.89Å; V297-A315 HydrophobicContact CG2-CB 3.65Å; V297-V330 HydrophobicContact CG2-CG1 4.42Å; V297-E331 PolarHBondContact N-O 2.84Å; V297-V332 HydrophobicContact CB-CG1 4.33Å; V297-V332 HydrophobicContact CB-CG2 4.2Å; V297-V332 HydrophobicContact CG2-CG2 4.39Å; V297-V332 CarbonylContact O-C 3.49Å; V297-V332 WeakPolarHBondContact O-CA 3.36Å; V297-Q333 PolarHBondContact O-N 2.74Å
298	W	93.1	Very high	83	Confident	6 Å²	6	39.7 Å²	39.7	2%	0.023	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	126.1	175.4	-175.2	93.5	0	0	0	109.8	L280 S281 C285 Y286 Q333 D335 E338 F342	L280-W298 HydrophobicContact CB-CD2 4.45Å; L280-W298 HydrophobicContact CB-CE3 4.31Å; L280-W298 HydrophobicContact CB-CH2 3.98Å; L280-W298 HydrophobicContact CB-CZ2 4.18Å; L280-W298 HydrophobicContact CB-CZ3 4.07Å; L280-W298 HydrophobicContact CD1-CD2 4.08Å; L280-W298 HydrophobicContact CD1-CG 4.2Å; L280-W298 HydrophobicContact CD1-CZ2 4.46Å; L280-W298 HydrophobicContact CD2-CD2 4.25Å; L280-W298 HydrophobicContact CD2-CE3 4.19Å; L280-W298 HydrophobicContact CD2-CG 4.47Å; S281-W298 WeakPolarHBondContact O-CZ3 3.2Å; C285-W298 WeakPolarHBondContact CA-O 3.12Å; Y286-W298 AromaticContact CD2-CE3 3.71Å; Y286-W298 HydrophobicContact CD2-CE3 3.71Å; Y286-W298 AromaticContact CD2-CZ3 3.95Å; Y286-W298 HydrophobicContact CD2-CZ3 3.95Å; Y286-W298 HydrophobicContact CE2-CE3 4.32Å; Y286-W298 HydrophobicContact CE2-CZ3 4.09Å; Y286-W298 PolarHBondContact N-O 3.14Å; Y286-W298 PolarHBondContact O-N 2.8Å; W298-Q333 HydrophobicContact CB-CB 4.43Å; W298-Q333 HydrophobicContact CG-CB 4.44Å; W298-D335 HydrophobicContact CH2-CB 4.15Å; W298-D335 HydrophobicContact CZ2-CB 3.6Å; W298-D335 VanDerWaalsContact CZ2-CG 3.5Å; W298-E338 PolarHBondContact NE1-OE1 3.47Å; W298-F342 HydrophobicContact CB-CE1 4.39Å; W298-F342 HydrophobicContact CB-CE2 4.29Å; W298-F342 HydrophobicContact CB-CZ 3.69Å; W298-F342 AromaticContact CD1-CE1 3.44Å; W298-F342 VanDerWaalsContact CD1-CE1 3.44Å; W298-F342 AromaticContact CD1-CZ 3.65Å; W298-F342 HydrophobicContact CG-CE1 4.12Å; W298-F342 AromaticContact CG-CZ 3.88Å; W298-F342 HydrophobicContact CG-CZ 3.88Å
299	K	91	Very high	82.4	Confident	13 Å²	13	44.7 Å²	44.7	6%	0.057	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	108.7	-177.4	-62.8	-177.3	-56.5	-176.7	0	109.9	D86 K308 A311 V332 Q333 N334 D335	D86-K299 IonicContact OD2-NZ 2.58Å; D86-K299 PolarHBondContact OD2-NZ 2.86Å; K299-K308 HydrophobicContact CB-CG 4.42Å; K299-K308 HydrophobicContact CD-CB 4.36Å; K299-K308 WeakPolarHBondContact CD-O 3.3Å; K299-A311 HydrophobicContact CD-CB 3.72Å; K299-A311 HydrophobicContact CG-CB 4.01Å; K299-V332 HydrophobicContact CD-CG1 3.64Å; K299-V332 HydrophobicContact CG-CG1 3.95Å; K299-Q333 PolarHBondContact N-O 3.1Å; K299-N334 WeakPolarHBondContact CE-OD1 3.33Å; K299-N334 PolarHBondContact NZ-OD1 2.73Å; K299-D335 VanDerWaalsContact O-CB 3.23Å; K299-D335 WeakPolarHBondContact O-CB 3.4Å; K299-D335 PolarHBondContact O-N 2.76Å; K299-D335 VanDerWaalsContact O-N 3.09Å
300	G	88.3	Confident	82	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.217	C	C	.	.			trans	-59.8	140.2	174.4	0	0	0	0	0	112	H282 D284 K302 A303 K308	H282-G300 CarbonylContact O-C 3.56Å; H282-G300 VanDerWaalsContact O-CA 3.31Å; H282-G300 WeakPolarHBondContact O-CA 3.4Å; D284-G300 VanDerWaalsContact O-CA 3.28Å; D284-G300 WeakPolarHBondContact O-CA 3.45Å; D284-G300 PolarHBondContact O-N 2.81Å; G300-K302 PolarHBondContact O-N 2.85Å; G300-K302 VanDerWaalsContact O-N 3.15Å; G300-A303 VanDerWaalsContact O-CB 3.26Å; G300-A303 WeakPolarHBondContact O-CB 3.45Å; G300-A303 PolarHBondContact O-N 3.08Å; G300-K308 WeakPolarHBondContact O-CE 3.25Å
301	K	86.6	Confident	82.1	Confident	158 Å²	158	44 Å²	44	69%	0.687	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-31.4	-175.9	-175.5	171.6	-175.3	172.7	0	113.3	H282 K308 D335	H282-K301 PolarHBondContact O-N 2.86Å; H282-K301 VanDerWaalsContact O-N 3.11Å; K301-K308 PolarHBondContact O-NZ 2.82Å; K301-D335 HydrophobicContact CB-CB 4.02Å; K301-D335 WeakPolarHBondContact CB-OD2 3.23Å; K301-D335 PolarHBondContact N-OD2 3.43Å
302	K	85.1	Confident	82.9	Confident	148 Å²	148	44.2 Å²	44.2	64%	0.643	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.7	2.1	179.9	-61.5	172.5	-178.7	174.1	0	113.4	H282 D283 G300	H282-K302 WeakPolarHBondContact O-CA 3.06Å; H282-K302 WeakPolarHBondContact O-CB 3.34Å; H282-K302 PolarHBondContact O-N 3.47Å; D283-K302 WeakPolarHBondContact OD1-CB 3.26Å; D283-K302 WeakPolarHBondContact OD1-CD 3.48Å; G300-K302 PolarHBondContact O-N 2.85Å; G300-K302 VanDerWaalsContact O-N 3.15Å
303	A	85	Confident	83.7	Confident	4 Å²	4	46.8 Å²	46.8	3%	0.033	23%	0.226	C	C	.	.	S	Bend	trans	-59.2	158	176.2	0	0	0	0	0	112.8	H282 D283 G300 E305 K308	H282-A303 PolarHBondContact O-N 2.98Å; D283-A303 VanDerWaalsContact O-CA 3.24Å; D283-A303 WeakPolarHBondContact O-CA 3.26Å; G300-A303 VanDerWaalsContact O-CB 3.26Å; G300-A303 WeakPolarHBondContact O-CB 3.45Å; G300-A303 PolarHBondContact O-N 3.08Å; A303-E305 PolarHBondContact O-N 3.06Å; A303-K308 HydrophobicContact CB-CG 4.26Å; A303-K308 WeakPolarHBondContact O-CE 3.25Å; A303-K308 PolarHBondContact O-NZ 2.88Å
304	N	83	Confident	84.4	Confident	66 Å²	66	46.2 Å²	46.2	35%	0.353	22%	0.222	S	C	.	.			trans	-58	136.3	-178.5	-179	-10.5	0	0	0	110.6	D260 Q306 E307 K308	D260-N304 PolarHBondContact OD2-ND2 3.39Å; N304-Q306 PolarHBondContact O-N 3.39Å; N304-Q306 PolarHBondContact OD1-N 3.29Å; N304-E307 HydrophobicContact CB-CB 4.21Å; N304-E307 HydrophobicContact CB-CG 3.89Å; N304-E307 PolarHBondContact O-N 3.47Å; N304-E307 VanDerWaalsContact O-N 3.13Å; N304-K308 WeakPolarHBondContact O-CG 3.44Å; N304-K308 PolarHBondContact O-N 3.15Å
305	E	79.1	Confident	84.8	Confident	106 Å²	106	44.9 Å²	44.9	50%	0.495	22%	0.216	S	C	.	.	H	α-helix	trans	-61.5	-28.7	178.6	-70.3	-62.6	128.6	0	0	112.9	A303 K308 K309	A303-E305 PolarHBondContact O-N 3.06Å; E305-K308 IonicContact OE1-NZ 4Å; E305-K308 PolarHBondContact OE1-NZ 2.86Å; E305-K308 VanDerWaalsContact OE1-NZ 3.14Å; E305-K309 WeakPolarHBondContact O-CB 3.36Å; E305-K309 VanDerWaalsContact O-CG 3.28Å; E305-K309 WeakPolarHBondContact O-CG 3Å; E305-K309 PolarHBondContact O-N 3.22Å; E305-K309 VanDerWaalsContact O-N 3.16Å
306	Q	76.3	Confident	84.7	Confident	145 Å²	145	47.4 Å²	47.4	68%	0.678	23%	0.23	S	C	*	.	H	α-helix	trans	-70.1	-43.6	173.2	-67.7	-173.9	-5.8	0	0	111.5	N304 K309 G310	N304-Q306 PolarHBondContact O-N 3.39Å; N304-Q306 PolarHBondContact OD1-N 3.29Å; Q306-K309 PolarHBondContact O-N 2.87Å; Q306-G310 PolarHBondContact O-N 2.94Å
307	E	77.1	Confident	84.6	Confident	7 Å²	7	51 Å²	51	3%	0.033	25%	0.249	C	C	.	.	H	α-helix	trans	-64.7	-43.7	176.1	-64.7	179.4	151.9	0	0	111.6	D260 N304 K309 G310 A311	D260-E307 HydrophobicContact CB-CG 4.27Å; D260-E307 VanDerWaalsContact CG-OE1 3.23Å; D260-E307 PolarHBondContact N-OE1 2.88Å; D260-E307 WeakPolarHBondContact OD2-CG 3.33Å; N304-E307 HydrophobicContact CB-CB 4.21Å; N304-E307 HydrophobicContact CB-CG 3.89Å; N304-E307 PolarHBondContact O-N 3.47Å; N304-E307 VanDerWaalsContact O-N 3.13Å; E307-K309 PolarHBondContact O-N 3.21Å; E307-G310 CarbonylContact O-C 3.54Å; E307-G310 PolarHBondContact O-N 3.34Å; E307-A311 PolarHBondContact O-N 3.15Å
308	K	79.3	Confident	84.4	Confident	42 Å²	42	51.5 Å²	51.5	18%	0.183	25%	0.251	C	S	.	.	H	α-helix	trans	-59.9	-42.6	176.9	-76	171	173.8	155.1	0	112.7	K299 G300 K301 A303 N304 E305 A311	K299-K308 HydrophobicContact CB-CG 4.42Å; K299-K308 HydrophobicContact CD-CB 4.36Å; K299-K308 WeakPolarHBondContact CD-O 3.3Å; G300-K308 WeakPolarHBondContact O-CE 3.25Å; K301-K308 PolarHBondContact O-NZ 2.82Å; A303-K308 HydrophobicContact CB-CG 4.26Å; A303-K308 WeakPolarHBondContact O-CE 3.25Å; A303-K308 PolarHBondContact O-NZ 2.88Å; N304-K308 WeakPolarHBondContact O-CG 3.44Å; N304-K308 PolarHBondContact O-N 3.15Å; E305-K308 IonicContact OE1-NZ 4Å; E305-K308 PolarHBondContact OE1-NZ 2.86Å; E305-K308 VanDerWaalsContact OE1-NZ 3.14Å; K308-A311 WeakPolarHBondContact O-CB 3.34Å
309	K	77.4	Confident	84.2	Confident	106 Å²	106	51.4 Å²	51.4	46%	0.461	25%	0.251	S	S	.	.	H	α-helix	trans	-74	-30.5	176.7	-72.5	177.1	-178.1	178.9	0	112.3	E305 Q306 E307 A311	E305-K309 WeakPolarHBondContact O-CB 3.36Å; E305-K309 VanDerWaalsContact O-CG 3.28Å; E305-K309 WeakPolarHBondContact O-CG 3Å; E305-K309 PolarHBondContact O-N 3.22Å; E305-K309 VanDerWaalsContact O-N 3.16Å; Q306-K309 PolarHBondContact O-N 2.87Å; E307-K309 PolarHBondContact O-N 3.21Å; K309-A311 VanDerWaalsContact C-N 3.34Å
310	G	79.2	Confident	84	Confident	14 Å²	14	58.2 Å²	58.2	14%	0.144	28%	0.281	C	S	.	.	H	α-helix	trans	-78.7	-12.6	177.2	0	0	0	0	0	114.5	Q306 E307 M312 S313 H314	Q306-G310 PolarHBondContact O-N 2.94Å; E307-G310 CarbonylContact O-C 3.54Å; E307-G310 PolarHBondContact O-N 3.34Å; G310-M312 VanDerWaalsContact C-N 3.35Å; G310-M312 PolarHBondContact O-N 3.38Å; G310-M312 VanDerWaalsContact O-N 3.14Å; G310-S313 CarbonylContact O-C 3.51Å; G310-S313 WeakPolarHBondContact O-CA 3.19Å; G310-S313 WeakPolarHBondContact O-CB 2.94Å; G310-S313 PolarHBondContact O-N 3Å; G310-H314 PolarHBondContact O-CD2 3.27Å; G310-H314 VanDerWaalsContact O-CG 3.27Å; G310-H314 PolarHBondContact O-N 3.4Å
311	A	83.5	Confident	84	Confident	4 Å²	4	62.1 Å²	62.1	3%	0.033	31%	0.313	C	S	.	.	H	α-helix	trans	-44	-51.1	-172.4	0	0	0	0	0	114.7	V297 K299 E307 K308 K309 H314 A315 V332	V297-A311 HydrophobicContact CG1-CB 3.89Å; K299-A311 HydrophobicContact CD-CB 3.72Å; K299-A311 HydrophobicContact CG-CB 4.01Å; E307-A311 PolarHBondContact O-N 3.15Å; K308-A311 WeakPolarHBondContact O-CB 3.34Å; K309-A311 VanDerWaalsContact C-N 3.34Å; A311-H314 PolarHBondContact O-N 2.91Å; A311-A315 PolarHBondContact O-N 2.75Å; A311-A315 VanDerWaalsContact O-N 3.09Å; A311-V332 HydrophobicContact CB-CG1 4.14Å
312	M	85.6	Confident	83.9	Confident	20 Å²	20	58.6 Å²	58.6	10%	0.099	30%	0.298	C	S	.	.	H	α-helix	trans	-65.7	-41.7	178.5	-169	66.3	70.9	0	0	112	Y64 Q95 R97 G310 H314 A315 L316 V330 V332	Y64-M312 HydrophobicContact CE1-CE 3.78Å; Y64-M312 HydrophobicContact CE1-SD 4.4Å; Y64-M312 PolarHBondContact OH-SD 3.33Å; Q95-M312 HydrophobicContact CB-CE 4.34Å; R97-M312 HydrophobicContact CB-SD 4.29Å; G310-M312 VanDerWaalsContact C-N 3.35Å; G310-M312 PolarHBondContact O-N 3.38Å; G310-M312 VanDerWaalsContact O-N 3.14Å; M312-H314 VanDerWaalsContact C-N 3.33Å; M312-H314 PolarHBondContact O-N 3.46Å; M312-A315 PolarHBondContact O-N 3.3Å; M312-L316 WeakPolarHBondContact O-CG 3.46Å; M312-L316 PolarHBondContact O-N 3.45Å; M312-V330 HydrophobicContact SD-CB 4.06Å; M312-V330 HydrophobicContact SD-CG1 3.64Å; M312-V332 HydrophobicContact CE-CG2 3.59Å; M312-V332 HydrophobicContact SD-CG2 4.24Å
313	S	84.9	Confident	83.9	Confident	61 Å²	61	60 Å²	60	43%	0.427	31%	0.307	S	S	.	.	H	α-helix	trans	-64.7	-38.9	176.8	-174.7	0	0	0	0	111.7	G310 L316 N317	G310-S313 CarbonylContact O-C 3.51Å; G310-S313 WeakPolarHBondContact O-CA 3.19Å; G310-S313 WeakPolarHBondContact O-CB 2.94Å; G310-S313 PolarHBondContact O-N 3Å; S313-L316 PolarHBondContact O-N 3.21Å; S313-N317 WeakPolarHBondContact O-CB 3.47Å; S313-N317 VanDerWaalsContact O-CG 3.27Å; S313-N317 PolarHBondContact O-N 3.08Å; S313-N317 PolarHBondContact O-ND2 3.46Å
314	H	85.6	Confident	83.9	Confident	34 Å²	34	62.7 Å²	62.7	16%	0.157	32%	0.316	C	S	.	.	H	α-helix	trans	-62.3	-43.4	175.8	-59.9	-34.8	0	0	0	111.5	L265 G310 A311 M312 N317 F318	L265-H314 WeakPolarHBondContact CD1-CE1 3.34Å; L265-H314 HydrophobicContact CD2-CB 4.28Å; L265-H314 WeakPolarHBondContact CD2-ND1 3.31Å; G310-H314 PolarHBondContact O-CD2 3.27Å; G310-H314 VanDerWaalsContact O-CG 3.27Å; G310-H314 PolarHBondContact O-N 3.4Å; A311-H314 PolarHBondContact O-N 2.91Å; M312-H314 VanDerWaalsContact C-N 3.33Å; M312-H314 PolarHBondContact O-N 3.46Å; H314-N317 PolarHBondContact O-N 2.93Å; H314-F318 VanDerWaalsContact O-CB 3.29Å; H314-F318 WeakPolarHBondContact O-CB 3.09Å; H314-F318 PolarHBondContact O-N 2.89Å
315	A	87.9	Confident	83.9	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-60.8	-44.9	173.2	0	0	0	0	0	112.7	I295 V297 A311 M312 N317 F318 I319 V330	I295-A315 HydrophobicContact CG2-CB 4.17Å; V297-A315 HydrophobicContact CG2-CB 3.65Å; A311-A315 PolarHBondContact O-N 2.75Å; A311-A315 VanDerWaalsContact O-N 3.09Å; M312-A315 PolarHBondContact O-N 3.3Å; A315-N317 PolarHBondContact O-N 2.78Å; A315-F318 WeakPolarHBondContact O-CB 3.44Å; A315-F318 PolarHBondContact O-N 3.05Å; A315-I319 WeakPolarHBondContact O-CG1 3.24Å; A315-I319 PolarHBondContact O-N 2.8Å; A315-V330 HydrophobicContact CB-CG1 3.52Å; A315-V330 HydrophobicContact CB-CG2 4.15Å
316	L	88.3	Confident	84.1	Confident	53 Å²	53	63 Å²	63	28%	0.277	33%	0.331	S	S	.	.	H	α-helix	trans	-65.1	-38.4	178.7	-66.5	175.6	0	0	0	112.4	M312 S313 I319 K320	M312-L316 WeakPolarHBondContact O-CG 3.46Å; M312-L316 PolarHBondContact O-N 3.45Å; S313-L316 PolarHBondContact O-N 3.21Å; L316-I319 HydrophobicContact CD2-CD1 4.48Å; L316-K320 WeakPolarHBondContact O-CG 3.19Å; L316-K320 PolarHBondContact O-N 3.21Å; L316-K320 VanDerWaalsContact O-N 3.1Å
317	N	87.9	Confident	84.3	Confident	80 Å²	80	57.7 Å²	57.7	43%	0.428	31%	0.31	S	S	.	.	H	α-helix	trans	-68.5	-37.1	174.3	-70.3	-22.8	0	0	0	111.5	S313 H314 A315 K320 A321	S313-N317 WeakPolarHBondContact O-CB 3.47Å; S313-N317 VanDerWaalsContact O-CG 3.27Å; S313-N317 PolarHBondContact O-N 3.08Å; S313-N317 PolarHBondContact O-ND2 3.46Å; H314-N317 PolarHBondContact O-N 2.93Å; A315-N317 PolarHBondContact O-N 2.78Å; N317-K320 PolarHBondContact O-N 3.47Å; N317-A321 WeakPolarHBondContact O-CB 3.28Å; N317-A321 PolarHBondContact O-N 3Å
318	F	88.2	Confident	84.5	Confident	14 Å²	14	57.7 Å²	57.7	6%	0.061	31%	0.31	C	S	.	.	H	α-helix	trans	-62.5	-45.9	174.1	-177.9	-92.7	0	0	0	111.7	Y256 V267 I287 D289 I295 H314 A315 K320 A321 K322 Y324	Y256-F318 HydrophobicContact CD1-CE2 4.32Å; Y256-F318 HydrophobicContact CD2-CE2 4.17Å; Y256-F318 AromaticContact CD2-CZ 3.96Å; Y256-F318 HydrophobicContact CD2-CZ 3.96Å; Y256-F318 HydrophobicContact CE1-CE2 4.28Å; Y256-F318 HydrophobicContact CE1-CZ 4.43Å; Y256-F318 HydrophobicContact CE2-CE2 4.12Å; Y256-F318 AromaticContact CE2-CZ 3.61Å; Y256-F318 HydrophobicContact CE2-CZ 3.61Å; Y256-F318 HydrophobicContact CG-CE2 4.27Å; Y256-F318 AromaticContact CZ-CZ 3.86Å; V267-F318 HydrophobicContact CG1-CD2 4.01Å; V267-F318 HydrophobicContact CG1-CE2 3.98Å; I287-F318 HydrophobicContact CD1-CB 4.17Å; I287-F318 HydrophobicContact CD1-CD2 4.28Å; I287-F318 HydrophobicContact CD1-CG 4.27Å; I287-F318 HydrophobicContact CG2-CD1 4.22Å; I287-F318 HydrophobicContact CG2-CE1 4.23Å; I287-F318 HydrophobicContact CG2-CG 4.39Å; I287-F318 HydrophobicContact CG2-CZ 4.39Å; D289-F318 HydrophobicContact CB-CE1 4.04Å; D289-F318 HydrophobicContact CB-CZ 4.15Å; I295-F318 HydrophobicContact CD1-CD1 4.16Å; I295-F318 HydrophobicContact CD1-CE1 3.96Å; H314-F318 VanDerWaalsContact O-CB 3.29Å; H314-F318 WeakPolarHBondContact O-CB 3.09Å; H314-F318 PolarHBondContact O-N 2.89Å; A315-F318 WeakPolarHBondContact O-CB 3.44Å; A315-F318 PolarHBondContact O-N 3.05Å; F318-K320 VanDerWaalsContact C-N 3.33Å; F318-K320 PolarHBondContact O-N 2.64Å; F318-A321 PolarHBondContact O-N 3.36Å; F318-K322 HydrophobicContact CD1-CG 4.18Å; F318-K322 HydrophobicContact CE1-CG 3.8Å; F318-K322 HydrophobicContact CE2-CG 4.22Å; F318-K322 HydrophobicContact CZ-CD 4.31Å; F318-K322 VanDerWaalsContact CZ-CE 3.47Å; F318-K322 HydrophobicContact CZ-CG 3.83Å; F318-K322 WeakPolarHBondContact O-CB 3.32Å; F318-K322 WeakPolarHBondContact O-CG 3.47Å; F318-K322 PolarHBondContact O-N 2.73Å; F318-Y324 HydrophobicContact CE1-CE2 4.36Å
319	I	88.1	Confident	84.8	Confident	5 Å²	5	57.8 Å²	57.8	3%	0.026	31%	0.311	C	S	.	.	H	α-helix	trans	-55.7	-47.9	174.1	-72.9	165.9	0	0	0	110.5	I295 A315 L316 K322 Q323 Y324 T328 V330	I295-I319 HydrophobicContact CG1-CD1 4.19Å; I295-I319 HydrophobicContact CG1-CG1 3.95Å; A315-I319 WeakPolarHBondContact O-CG1 3.24Å; A315-I319 PolarHBondContact O-N 2.8Å; L316-I319 HydrophobicContact CD2-CD1 4.48Å; I319-K322 PolarHBondContact O-N 2.63Å; I319-Q323 PolarHBondContact O-N 3.36Å; I319-Y324 PolarHBondContact O-N 2.92Å; I319-T328 HydrophobicContact CD1-CG2 3.94Å; I319-T328 HydrophobicContact CG1-CG2 4.19Å; I319-V330 HydrophobicContact CD1-CG2 3.58Å
320	K	88.3	Confident	85.4	Confident	155 Å²	155	52.9 Å²	52.9	67%	0.674	29%	0.29	S	S	*	.	H	α-helix	trans	-61.8	-45	176.7	-72.1	174.7	-177.5	177.7	0	112.4	L316 N317 F318 K322 Q323	L316-K320 WeakPolarHBondContact O-CG 3.19Å; L316-K320 PolarHBondContact O-N 3.21Å; L316-K320 VanDerWaalsContact O-N 3.1Å; N317-K320 PolarHBondContact O-N 3.47Å; F318-K320 VanDerWaalsContact C-N 3.33Å; F318-K320 PolarHBondContact O-N 2.64Å; K320-K322 VanDerWaalsContact C-N 3.33Å; K320-K322 PolarHBondContact O-N 3.25Å; K320-Q323 PolarHBondContact O-N 3.32Å; K320-Q323 VanDerWaalsContact O-N 3.14Å
321	A	86.6	Confident	85.9	Confident	82 Å²	82	52.4 Å²	52.4	68%	0.678	28%	0.284	S	S	*	.	H	α-helix	trans	-65.1	-36.8	-179.3	0	0	0	0	0	112.5	N317 F318 Q323	N317-A321 WeakPolarHBondContact O-CB 3.28Å; N317-A321 PolarHBondContact O-N 3Å; F318-A321 PolarHBondContact O-N 3.36Å; A321-Q323 VanDerWaalsContact C-N 3.28Å
322	K	85.1	Confident	86.2	Confident	84 Å²	84	52.2 Å²	52.2	37%	0.365	28%	0.283	S	S	.	.	H	α-helix	trans	-81.2	-4.9	175.1	-68.7	-68.4	-167.6	172.2	0	113.9	Y256 F318 I319 K320 Y324	Y256-K322 WeakPolarHBondContact OH-CE 3.31Å; Y256-K322 PolarHBondContact OH-NZ 3.41Å; F318-K322 HydrophobicContact CD1-CG 4.18Å; F318-K322 HydrophobicContact CE1-CG 3.8Å; F318-K322 HydrophobicContact CE2-CG 4.22Å; F318-K322 HydrophobicContact CZ-CD 4.31Å; F318-K322 VanDerWaalsContact CZ-CE 3.47Å; F318-K322 HydrophobicContact CZ-CG 3.83Å; F318-K322 WeakPolarHBondContact O-CB 3.32Å; F318-K322 WeakPolarHBondContact O-CG 3.47Å; F318-K322 PolarHBondContact O-N 2.73Å; I319-K322 PolarHBondContact O-N 2.63Å; K320-K322 VanDerWaalsContact C-N 3.33Å; K320-K322 PolarHBondContact O-N 3.25Å; K322-Y324 HydrophobicContact CB-CD1 4.47Å; K322-Y324 HydrophobicContact CB-CD2 3.51Å; K322-Y324 HydrophobicContact CB-CE1 4.4Å; K322-Y324 HydrophobicContact CB-CE2 3.43Å; K322-Y324 VanDerWaalsContact CB-CE2 3.43Å; K322-Y324 HydrophobicContact CB-CG 4.05Å; K322-Y324 HydrophobicContact CG-CD2 4.26Å; K322-Y324 HydrophobicContact CG-CE2 3.81Å; K322-Y324 PolarHBondContact O-N 2.85Å
323	Q	85.6	Confident	86.4	Confident	179 Å²	179	51.3 Å²	51.3	84%	0.836	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	33.1	-176.2	-54.3	179	-4.2	0	0	113.3	I319 K320 A321	I319-Q323 PolarHBondContact O-N 3.36Å; K320-Q323 PolarHBondContact O-N 3.32Å; K320-Q323 VanDerWaalsContact O-N 3.14Å; A321-Q323 VanDerWaalsContact C-N 3.28Å
324	Y	85	Confident	86.5	Confident	60 Å²	60	49.2 Å²	49.2	24%	0.235	26%	0.262	C	S	.	.			trans	-75.9	157.1	172.6	-66.5	-39.5	0	0	0	111.5	D289 I295 F318 I319 K322	D289-Y324 PolarHBondContact OD2-OH 3.37Å; I295-Y324 HydrophobicContact CD1-CE2 4.47Å; F318-Y324 HydrophobicContact CE1-CE2 4.36Å; I319-Y324 PolarHBondContact O-N 2.92Å; K322-Y324 HydrophobicContact CB-CD1 4.47Å; K322-Y324 HydrophobicContact CB-CD2 3.51Å; K322-Y324 HydrophobicContact CB-CE1 4.4Å; K322-Y324 HydrophobicContact CB-CE2 3.43Å; K322-Y324 VanDerWaalsContact CB-CE2 3.43Å; K322-Y324 HydrophobicContact CB-CG 4.05Å; K322-Y324 HydrophobicContact CG-CD2 4.26Å; K322-Y324 HydrophobicContact CG-CE2 3.81Å; K322-Y324 PolarHBondContact O-N 2.85Å
325	P	82.2	Confident	86.5	Confident	69 Å²	69	49 Å²	49	45%	0.448	26%	0.263	S	S	.	.			trans	-54.4	140.1	177	-26.8	35.7	0	0	0	112.5	S327 T328	P325-S327 PolarHBondContact O-N 2.99Å; P325-T328 VanDerWaalsContact O-CB 3.31Å; P325-T328 WeakPolarHBondContact O-CB 3.47Å; P325-T328 PolarHBondContact O-N 2.79Å; P325-T328 PolarHBondContact O-OG1 3.45Å
326	P	83.3	Confident	86	Confident	110 Å²	110	52.2 Å²	52.2	71%	0.714	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-18	174.6	-24.1	34.1	0	0	0	114.2	R97 T328	R97-P326 PolarHBondContact NH1-O 2.87Å; R97-P326 PolarHBondContact NH2-O 3.22Å; P326-T328 VanDerWaalsContact C-N 3.32Å
327	S	80.3	Confident	85.6	Confident	33 Å²	33	51 Å²	51	23%	0.231	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-3.8	174.5	56.8	0	0	0	0	114	P325 Q329	P325-S327 PolarHBondContact O-N 2.99Å; S327-Q329 PolarHBondContact O-N 2.72Å
328	T	83.1	Confident	85.3	Confident	6 Å²	6	48.1 Å²	48.1	4%	0.037	28%	0.277	C	S	.	.			trans	-54.7	132.3	177	-67	0	0	0	0	111	R97 G292 I295 I319 P325 P326	R97-T328 PolarHBondContact NH1-O 2.8Å; G292-T328 WeakPolarHBondContact O-CG2 3.2Å; G292-T328 PolarHBondContact O-OG1 2.9Å; I295-T328 HydrophobicContact CG1-CG2 3.86Å; I319-T328 HydrophobicContact CD1-CG2 3.94Å; I319-T328 HydrophobicContact CG1-CG2 4.19Å; P325-T328 VanDerWaalsContact O-CB 3.31Å; P325-T328 WeakPolarHBondContact O-CB 3.47Å; P325-T328 PolarHBondContact O-N 2.79Å; P325-T328 PolarHBondContact O-OG1 3.45Å; P326-T328 VanDerWaalsContact C-N 3.32Å
329	Q	83.9	Confident	84.4	Confident	44 Å²	44	48.4 Å²	48.4	21%	0.206	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	141.4	-178.2	-66.8	175.9	0.1	0	0	111	N102 E103 K294 I295 S327	N102-Q329 PolarHBondContact O-NE2 3.37Å; E103-Q329 PolarHBondContact O-NE2 2.99Å; K294-Q329 HydrophobicContact CB-CB 4.48Å; K294-Q329 HydrophobicContact CD-CB 4.4Å; K294-Q329 HydrophobicContact CG-CB 4.08Å; I295-Q329 PolarHBondContact N-O 3.03Å; S327-Q329 PolarHBondContact O-N 2.72Å
330	V	90	Very high	83.4	Confident	3 Å²	3	49.5 Å²	49.5	2%	0.018	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	127.8	176.2	-176	0	0	0	0	109.6	R97 I295 V297 M312 A315 I319 V332	R97-V330 HydrophobicContact CB-CB 4.05Å; R97-V330 PolarHBondContact N-O 3.37Å; I295-V330 HydrophobicContact CB-CG2 4.49Å; I295-V330 VanDerWaalsContact O-CA 3.32Å; I295-V330 WeakPolarHBondContact O-CA 3.39Å; V297-V330 HydrophobicContact CG2-CG1 4.42Å; M312-V330 HydrophobicContact SD-CB 4.06Å; M312-V330 HydrophobicContact SD-CG1 3.64Å; A315-V330 HydrophobicContact CB-CG1 3.52Å; A315-V330 HydrophobicContact CB-CG2 4.15Å; I319-V330 HydrophobicContact CD1-CG2 3.58Å; V330-V332 HydrophobicContact CG1-CG2 4.43Å
331	E	89.8	Confident	82.5	Confident	5 Å²	5	44.6 Å²	44.6	2%	0.023	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	122.6	176.1	-166.6	178.2	148.3	0	0	109.9	V94 Q95 H96 K294 I295 Y296 V297 Q333 S339	V94-E331 HydrophobicContact CG1-CG 3.54Å; V94-E331 WeakPolarHBondContact CG1-OE1 3.44Å; Q95-E331 CarbonylContact O-C 3.14Å; Q95-E331 WeakPolarHBondContact O-CA 3.36Å; H96-E331 VanDerWaalsContact CE1-CD 3.47Å; H96-E331 IonicContact CE1-OE1 3.58Å; H96-E331 IonicContact CE1-OE2 2.82Å; H96-E331 IonicContact ND1-OE2 3.71Å; K294-E331 WeakPolarHBondContact CE-OE2 3.38Å; K294-E331 IonicContact NZ-OE2 3.74Å; K294-E331 PolarHBondContact NZ-OE2 3.34Å; I295-E331 PolarHBondContact O-N 3.32Å; Y296-E331 CarbonylContact C-O 3.57Å; Y296-E331 VanDerWaalsContact CA-O 3.25Å; Y296-E331 WeakPolarHBondContact CA-O 3.41Å; Y296-E331 HydrophobicContact CD1-CB 3.9Å; Y296-E331 HydrophobicContact CD1-CG 4.38Å; Y296-E331 HydrophobicContact CE1-CB 4.18Å; Y296-E331 WeakPolarHBondContact CE1-OE2 3.46Å; V297-E331 PolarHBondContact N-O 2.84Å; E331-Q333 PolarHBondContact OE1-NE2 2.79Å; E331-S339 VanDerWaalsContact OE1-CB 3.3Å; E331-S339 WeakPolarHBondContact OE1-CB 3.29Å; E331-S339 PolarHBondContact OE1-OG 2.92Å
332	V	90.9	Very high	81.9	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	115.8	-180	-175.4	0	0	0	0	109.5	Q95 V297 K299 A311 M312 V330	Q95-V332 HydrophobicContact CB-CB 4.09Å; Q95-V332 HydrophobicContact CG-CB 4.5Å; Q95-V332 PolarHBondContact N-O 2.83Å; Q95-V332 PolarHBondContact O-N 3.15Å; V297-V332 HydrophobicContact CB-CG1 4.33Å; V297-V332 HydrophobicContact CB-CG2 4.2Å; V297-V332 HydrophobicContact CG2-CG2 4.39Å; V297-V332 CarbonylContact O-C 3.49Å; V297-V332 WeakPolarHBondContact O-CA 3.36Å; K299-V332 HydrophobicContact CD-CG1 3.64Å; K299-V332 HydrophobicContact CG-CG1 3.95Å; A311-V332 HydrophobicContact CB-CG1 4.14Å; M312-V332 HydrophobicContact CE-CG2 3.59Å; M312-V332 HydrophobicContact SD-CG2 4.24Å; V330-V332 HydrophobicContact CG1-CG2 4.43Å
333	Q	89.1	Confident	81.3	Confident	0 Å²	0	39 Å²	39	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	132.5	177.3	-51	-60	-32.5	0	0	110.6	V297 W298 K299 E331 E338 S339 F342	V297-Q333 PolarHBondContact O-N 2.74Å; W298-Q333 HydrophobicContact CB-CB 4.43Å; W298-Q333 HydrophobicContact CG-CB 4.44Å; K299-Q333 PolarHBondContact N-O 3.1Å; E331-Q333 PolarHBondContact OE1-NE2 2.79Å; Q333-E338 HydrophobicContact CB-CG 4.33Å; Q333-S339 PolarHBondContact NE2-OG 3.06Å; Q333-F342 HydrophobicContact CG-CB 4.09Å; Q333-F342 HydrophobicContact CG-CD1 4.14Å; Q333-F342 HydrophobicContact CG-CD2 3.8Å; Q333-F342 HydrophobicContact CG-CE2 4.22Å; Q333-F342 HydrophobicContact CG-CG 3.74Å
334	N	86.6	Confident	80.4	Confident	17 Å²	17	31.8 Å²	31.8	9%	0.091	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	139.4	165.5	-76.4	-62.7	0	0	0	109.6	D86 G91 A93 K299 G336 A337 E338	D86-N334 PolarHBondContact OD1-ND2 2.78Å; D86-N334 PolarHBondContact OD2-ND2 2.88Å; G91-N334 WeakPolarHBondContact O-CB 3.46Å; G91-N334 PolarHBondContact O-ND2 3.33Å; A93-N334 PolarHBondContact O-ND2 2.99Å; K299-N334 WeakPolarHBondContact CE-OD1 3.33Å; K299-N334 PolarHBondContact NZ-OD1 2.73Å; N334-G336 PolarHBondContact O-N 2.85Å; N334-A337 HydrophobicContact CB-CB 4.15Å; N334-A337 CarbonylContact O-C 3.58Å; N334-A337 WeakPolarHBondContact O-CA 3.38Å; N334-A337 PolarHBondContact O-N 2.85Å; N334-E338 PolarHBondContact O-N 2.9Å
335	D	86.1	Confident	79.8	Confident	31 Å²	31	29.6 Å²	29.6	17%	0.166	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	117.5	174.2	178	-4.4	0	0	0	112.4	H282 W298 K299 K301 E338	H282-D335 IonicContact CE1-OD1 3.06Å; H282-D335 PolarHBondContact CE1-OD1 2.82Å; H282-D335 IonicContact CE1-OD2 3.55Å; H282-D335 IonicContact CG-OD2 2.63Å; H282-D335 VanDerWaalsContact ND1-CG 3.3Å; H282-D335 IonicContact ND1-OD1 2.62Å; H282-D335 PolarHBondContact ND1-OD1 3.49Å; H282-D335 IonicContact ND1-OD2 2.79Å; H282-D335 PolarHBondContact ND1-OD2 3.49Å; W298-D335 HydrophobicContact CH2-CB 4.15Å; W298-D335 HydrophobicContact CZ2-CB 3.6Å; W298-D335 VanDerWaalsContact CZ2-CG 3.5Å; K299-D335 VanDerWaalsContact O-CB 3.23Å; K299-D335 WeakPolarHBondContact O-CB 3.4Å; K299-D335 PolarHBondContact O-N 2.76Å; K299-D335 VanDerWaalsContact O-N 3.09Å; K301-D335 HydrophobicContact CB-CB 4.02Å; K301-D335 WeakPolarHBondContact CB-OD2 3.23Å; K301-D335 PolarHBondContact N-OD2 3.43Å; D335-E338 WeakPolarHBondContact CA-OE1 3.42Å
336	G	77.8	Confident	79.4	Confident	66 Å²	66	26.4 Å²	26.4	68%	0.68	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.5	0.5	-174.8	0	0	0	0	0	115.5	N334 E338	N334-G336 PolarHBondContact O-N 2.85Å; G336-E338 VanDerWaalsContact C-OE2 3.3Å; G336-E338 WeakPolarHBondContact CA-OE2 3.37Å; G336-E338 PolarHBondContact N-OE1 3.09Å; G336-E338 PolarHBondContact N-OE2 2.83Å
337	A	80.2	Confident	78.5	Confident	28 Å²	28	25.9 Å²	25.9	23%	0.231	16%	0.16	C	C	.	.			trans	-124	25.3	174.1	0	0	0	0	0	111.7	V94 N334	V94-A337 VanDerWaalsContact CG2-O 3.26Å; V94-A337 WeakPolarHBondContact CG2-O 3.43Å; N334-A337 HydrophobicContact CB-CB 4.15Å; N334-A337 CarbonylContact O-C 3.58Å; N334-A337 WeakPolarHBondContact O-CA 3.38Å; N334-A337 PolarHBondContact O-N 2.85Å
338	E	80.8	Confident	77.9	Confident	20 Å²	20	29.8 Å²	29.8	9%	0.093	17%	0.173	C	C	.	.			trans	-66.1	137.3	-175.6	-57.7	84.9	171.1	0	0	112	W298 Q333 N334 D335 G336 F342 Q343 W349	W298-E338 PolarHBondContact NE1-OE1 3.47Å; Q333-E338 HydrophobicContact CB-CG 4.33Å; N334-E338 PolarHBondContact O-N 2.9Å; D335-E338 WeakPolarHBondContact CA-OE1 3.42Å; G336-E338 VanDerWaalsContact C-OE2 3.3Å; G336-E338 WeakPolarHBondContact CA-OE2 3.37Å; G336-E338 PolarHBondContact N-OE1 3.09Å; G336-E338 PolarHBondContact N-OE2 2.83Å; E338-F342 HydrophobicContact CB-CD1 3.87Å; E338-F342 HydrophobicContact CG-CD1 3.87Å; E338-F342 HydrophobicContact CG-CE1 4.09Å; E338-Q343 HydrophobicContact CB-CG 3.85Å; E338-Q343 PolarHBondContact O-NE2 3.47Å; E338-W349 HydrophobicContact CB-CZ2 4.14Å; E338-W349 HydrophobicContact CG-CH2 3.86Å; E338-W349 HydrophobicContact CG-CZ2 3.63Å; E338-W349 WeakPolarHBondContact OE1-CZ2 3.5Å
339	S	69.7	Low	77	Confident	20 Å²	20	31.1 Å²	31.1	14%	0.14	18%	0.177	C	C	.	.			trans	-63.3	147.9	173.5	73.4	0	0	0	0	111.1	E331 Q333 V341 F342 Q343	E331-S339 VanDerWaalsContact OE1-CB 3.3Å; E331-S339 WeakPolarHBondContact OE1-CB 3.29Å; E331-S339 PolarHBondContact OE1-OG 2.92Å; Q333-S339 PolarHBondContact NE2-OG 3.06Å; S339-V341 PolarHBondContact O-N 2.81Å; S339-F342 WeakPolarHBondContact O-CB 3.05Å; S339-F342 PolarHBondContact O-N 2.84Å; S339-F342 PolarHBondContact OG-N 2.75Å; S339-Q343 WeakPolarHBondContact O-CG 3.48Å; S339-Q343 PolarHBondContact O-N 2.98Å; S339-Q343 VanDerWaalsContact O-N 3.1Å
340	A	66	Low	76.1	Confident	28 Å²	28	32 Å²	32	23%	0.231	19%	0.185	C	C	.	.	H	α-helix	trans	-55.9	-37.1	178.3	0	0	0	0	0	111.6	F342 Q343 Q344 T618	A340-F342 PolarHBondContact O-N 3.34Å; A340-Q343 PolarHBondContact O-N 3.44Å; A340-Q344 WeakPolarHBondContact O-CG 3.44Å; A340-Q344 PolarHBondContact O-N 3.33Å; A340-Q344 PolarHBondContact O-NE2 3.5Å; A340-Q344 VanDerWaalsContact O-NE2 3.14Å; A340-T618 HydrophobicContact CB-CG2 3.77Å
341	V	70.1	Confident	74.4	Confident	51 Å²	51	34.9 Å²	34.9	31%	0.309	21%	0.21	S	C	.	.	H	α-helix	trans	-60.1	-44.7	176.7	-177	0	0	0	0	111	Y296 S339	Y296-V341 WeakPolarHBondContact OH-CG1 3.49Å; S339-V341 PolarHBondContact O-N 2.81Å
342	F	75.1	Confident	72.3	Confident	1 Å²	1	39.7 Å²	39.7	0%	0.004	24%	0.244	C	C	.	.	H	α-helix	trans	-64.6	-45.7	177.4	179.4	-96	0	0	0	112.3	L280 L288 Y296 W298 Q333 E338 S339 A340 Q344 L345 F346 W349	L280-F342 HydrophobicContact CD1-CE1 4Å; L280-F342 HydrophobicContact CD1-CZ 4.1Å; L288-F342 HydrophobicContact CB-CE2 4.4Å; L288-F342 HydrophobicContact CD2-CD2 4.2Å; L288-F342 HydrophobicContact CD2-CE2 3.82Å; Y296-F342 HydrophobicContact CD1-CB 4.37Å; Y296-F342 AromaticContact CD1-CD2 3.77Å; Y296-F342 HydrophobicContact CD1-CD2 3.77Å; Y296-F342 HydrophobicContact CE1-CB 4.46Å; Y296-F342 AromaticContact CG-CD2 3.87Å; Y296-F342 HydrophobicContact CG-CD2 3.87Å; Y296-F342 HydrophobicContact CG-CE2 4.4Å; W298-F342 HydrophobicContact CB-CE1 4.39Å; W298-F342 HydrophobicContact CB-CE2 4.29Å; W298-F342 HydrophobicContact CB-CZ 3.69Å; W298-F342 AromaticContact CD1-CE1 3.44Å; W298-F342 VanDerWaalsContact CD1-CE1 3.44Å; W298-F342 AromaticContact CD1-CZ 3.65Å; W298-F342 HydrophobicContact CG-CE1 4.12Å; W298-F342 AromaticContact CG-CZ 3.88Å; W298-F342 HydrophobicContact CG-CZ 3.88Å; Q333-F342 HydrophobicContact CG-CB 4.09Å; Q333-F342 HydrophobicContact CG-CD1 4.14Å; Q333-F342 HydrophobicContact CG-CD2 3.8Å; Q333-F342 HydrophobicContact CG-CE2 4.22Å; Q333-F342 HydrophobicContact CG-CG 3.74Å; E338-F342 HydrophobicContact CB-CD1 3.87Å; E338-F342 HydrophobicContact CG-CD1 3.87Å; E338-F342 HydrophobicContact CG-CE1 4.09Å; S339-F342 WeakPolarHBondContact O-CB 3.05Å; S339-F342 PolarHBondContact O-N 2.84Å; S339-F342 PolarHBondContact OG-N 2.75Å; A340-F342 PolarHBondContact O-N 3.34Å; F342-Q344 PolarHBondContact O-N 3.27Å; F342-L345 WeakPolarHBondContact O-CB 3.49Å; F342-L345 PolarHBondContact O-N 3.33Å; F342-L345 VanDerWaalsContact O-N 3.08Å; F342-F346 HydrophobicContact CD1-CE2 4.06Å; F342-F346 HydrophobicContact CE1-CD2 4.49Å; F342-F346 AromaticContact CE1-CE2 3.56Å; F342-F346 HydrophobicContact CE1-CE2 3.56Å; F342-F346 HydrophobicContact CE1-CZ 4.09Å; F342-F346 HydrophobicContact CE2-CE2 4.12Å; F342-F346 HydrophobicContact CE2-CZ 4.48Å; F342-F346 AromaticContact CZ-CE2 3.6Å; F342-F346 HydrophobicContact CZ-CE2 3.6Å; F342-F346 AromaticContact CZ-CZ 3.81Å; F342-F346 HydrophobicContact CZ-CZ 3.81Å; F342-F346 WeakPolarHBondContact O-CD2 3.28Å; F342-W349 HydrophobicContact CD1-CH2 4.2Å; F342-W349 HydrophobicContact CD1-CZ3 4.28Å; F342-W349 AromaticContact CE1-CH2 3.79Å; F342-W349 HydrophobicContact CE1-CH2 3.79Å; F342-W349 AromaticContact CE1-CZ3 3.9Å; F342-W349 HydrophobicContact CE1-CZ3 3.9Å
343	Q	72.8	Confident	69.8	Low	47 Å²	47	46.8 Å²	46.8	22%	0.22	28%	0.282	C	S	.	.	H	α-helix	trans	-58.9	-35.2	-177.5	-63.3	-179.8	11.5	0	0	112.7	E338 S339 A340 L345 F346 W349	E338-Q343 HydrophobicContact CB-CG 3.85Å; E338-Q343 PolarHBondContact O-NE2 3.47Å; S339-Q343 WeakPolarHBondContact O-CG 3.48Å; S339-Q343 PolarHBondContact O-N 2.98Å; S339-Q343 VanDerWaalsContact O-N 3.1Å; A340-Q343 PolarHBondContact O-N 3.44Å; Q343-L345 VanDerWaalsContact C-N 3.26Å; Q343-L345 PolarHBondContact O-N 2.91Å; Q343-F346 PolarHBondContact O-N 3.46Å; Q343-W349 HydrophobicContact CB-CB 4.13Å; Q343-W349 HydrophobicContact CB-CD2 3.8Å; Q343-W349 HydrophobicContact CB-CE3 4.22Å; Q343-W349 HydrophobicContact CB-CG 3.71Å; Q343-W349 VanDerWaalsContact CD-CD1 3.46Å; Q343-W349 HydrophobicContact CG-CD2 3.69Å; Q343-W349 HydrophobicContact CG-CE3 4.32Å; Q343-W349 HydrophobicContact CG-CG 3.83Å; Q343-W349 HydrophobicContact CG-CZ2 4.19Å
344	Q	66.4	Low	67.3	Low	29 Å²	29	54.3 Å²	54.3	14%	0.136	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-16.3	-179.7	-65.1	160.7	24.4	0	0	114	A340 F342 F346 S687	A340-Q344 WeakPolarHBondContact O-CG 3.44Å; A340-Q344 PolarHBondContact O-N 3.33Å; A340-Q344 PolarHBondContact O-NE2 3.5Å; A340-Q344 VanDerWaalsContact O-NE2 3.14Å; F342-Q344 PolarHBondContact O-N 3.27Å; Q344-F346 PolarHBondContact O-N 2.72Å; Q344-S687 PolarHBondContact O-OG 3.11Å
345	L	72.3	Confident	64.5	Low	14 Å²	14	59.9 Å²	59.9	7%	0.073	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-9.8	174	-56.8	174.5	0	0	0	111.6	L253 L288 Y296 F342 Q343	L253-L345 HydrophobicContact CD1-CB 4.12Å; L253-L345 HydrophobicContact CD1-CD2 3.77Å; L253-L345 HydrophobicContact CD1-CG 4.43Å; L253-L345 HydrophobicContact CD2-CD1 4.46Å; L253-L345 HydrophobicContact CD2-CD2 4.29Å; L288-L345 HydrophobicContact CD2-CB 3.97Å; L288-L345 HydrophobicContact CD2-CD1 3.39Å; L288-L345 HydrophobicContact CD2-CG 4.3Å; L288-L345 HydrophobicContact CG-CD1 4.43Å; Y296-L345 HydrophobicContact CD2-CD1 4.01Å; Y296-L345 HydrophobicContact CE2-CD1 3.69Å; F342-L345 WeakPolarHBondContact O-CB 3.49Å; F342-L345 PolarHBondContact O-N 3.33Å; F342-L345 VanDerWaalsContact O-N 3.08Å; Q343-L345 VanDerWaalsContact C-N 3.26Å; Q343-L345 PolarHBondContact O-N 2.91Å
346	F	73.6	Confident	61.8	Low	1 Å²	1	63 Å²	63	0%	0.004	37%	0.369	C	S	.	.	B	Isolated β-bridge	trans	-106.2	154.3	176.6	-58.6	-97.8	0	0	0	111.6	L275 L280 L288 F342 Q343 Q344 W349 S687	L275-F346 HydrophobicContact CB-CD1 3.65Å; L275-F346 HydrophobicContact CB-CE1 3.96Å; L275-F346 HydrophobicContact CB-CG 4.29Å; L275-F346 HydrophobicContact CD1-CE1 4.5Å; L275-F346 CarbonylContact O-C 3.47Å; L275-F346 VanDerWaalsContact O-CA 3.3Å; L275-F346 WeakPolarHBondContact O-CA 3.35Å; L280-F346 HydrophobicContact CD1-CE1 3.91Å; L280-F346 HydrophobicContact CD1-CE2 4.29Å; L280-F346 HydrophobicContact CD1-CZ 3.63Å; L280-F346 HydrophobicContact CD2-CE1 4.49Å; L280-F346 HydrophobicContact CD2-CZ 4.3Å; L280-F346 HydrophobicContact CG-CE1 4.04Å; L280-F346 HydrophobicContact CG-CZ 4.1Å; L288-F346 HydrophobicContact CD2-CE2 4.36Å; L288-F346 HydrophobicContact CD2-CZ 4.47Å; F342-F346 HydrophobicContact CD1-CE2 4.06Å; F342-F346 HydrophobicContact CE1-CD2 4.49Å; F342-F346 AromaticContact CE1-CE2 3.56Å; F342-F346 HydrophobicContact CE1-CE2 3.56Å; F342-F346 HydrophobicContact CE1-CZ 4.09Å; F342-F346 HydrophobicContact CE2-CE2 4.12Å; F342-F346 HydrophobicContact CE2-CZ 4.48Å; F342-F346 AromaticContact CZ-CE2 3.6Å; F342-F346 HydrophobicContact CZ-CE2 3.6Å; F342-F346 AromaticContact CZ-CZ 3.81Å; F342-F346 HydrophobicContact CZ-CZ 3.81Å; F342-F346 WeakPolarHBondContact O-CD2 3.28Å; Q343-F346 PolarHBondContact O-N 3.46Å; Q344-F346 PolarHBondContact O-N 2.72Å; F346-W349 HydrophobicContact CB-CE3 4.16Å; F346-W349 AromaticContact CD2-CE3 3.78Å; F346-W349 HydrophobicContact CD2-CE3 3.78Å; F346-W349 AromaticContact CD2-CZ3 3.65Å; F346-W349 HydrophobicContact CD2-CZ3 3.65Å; F346-W349 HydrophobicContact CE2-CE3 4.43Å; F346-W349 AromaticContact CE2-CZ3 3.84Å; F346-W349 HydrophobicContact CE2-CZ3 3.84Å; F346-W349 AromaticContact CG-CE3 3.98Å; F346-W349 HydrophobicContact CG-CE3 3.98Å; F346-W349 HydrophobicContact CG-CZ3 4.05Å; F346-W349 HydrophobicContact CZ-CZ3 4.36Å; F346-S687 WeakPolarHBondContact O-CB 3.37Å; F346-S687 PolarHBondContact O-OG 3.4Å
347	Q	64.8	Low	59.4	Low	100 Å²	100	61.5 Å²	61.5	47%	0.467	35%	0.354	S	S	.	.	S	Bend	trans	-67.7	-40.8	-177.7	-166.4	179.8	29.3	0	0	113	L275 T276	L275-Q347 WeakPolarHBondContact O-CB 3.13Å; L275-Q347 PolarHBondContact O-N 3.17Å; T276-Q347 HydrophobicContact CG2-CB 4.37Å
348	K	65.9	Low	56.9	Low	114 Å²	114	68 Å²	68	50%	0.496	38%	0.384	S	S	.	.			trans	-142.4	129.8	176.8	-171.2	176.2	-178.6	-179.9	0	107.9	Q277 T350 E613	Q277-K348 WeakPolarHBondContact CB-O 3.31Å; K348-T350 HydrophobicContact CD-CG2 4.49Å; K348-T350 HydrophobicContact CG-CG2 4.34Å; K348-E613 IonicContact NZ-OE1 3.01Å; K348-E613 IonicContact NZ-OE2 2.88Å; K348-E613 PolarHBondContact NZ-OE2 2.94Å; K348-E613 VanDerWaalsContact NZ-OE2 3.16Å
349	W	65.9	Low	54.5	Low	35 Å²	35	70 Å²	70	13%	0.133	41%	0.41	C	S	.	.			trans	-123.1	127.1	175.2	-166.6	-85.9	0	0	0	110	Q277 L280 E338 F342 Q343 F346	Q277-W349 HydrophobicContact CB-CE3 4.4Å; Q277-W349 HydrophobicContact CG-CD2 4.38Å; Q277-W349 HydrophobicContact CG-CE3 4.09Å; Q277-W349 HydrophobicContact CG-CH2 4.49Å; Q277-W349 HydrophobicContact CG-CZ3 4.17Å; L280-W349 HydrophobicContact CD1-CH2 3.76Å; L280-W349 HydrophobicContact CD1-CZ3 3.78Å; E338-W349 HydrophobicContact CB-CZ2 4.14Å; E338-W349 HydrophobicContact CG-CH2 3.86Å; E338-W349 HydrophobicContact CG-CZ2 3.63Å; E338-W349 WeakPolarHBondContact OE1-CZ2 3.5Å; F342-W349 HydrophobicContact CD1-CH2 4.2Å; F342-W349 HydrophobicContact CD1-CZ3 4.28Å; F342-W349 AromaticContact CE1-CH2 3.79Å; F342-W349 HydrophobicContact CE1-CH2 3.79Å; F342-W349 AromaticContact CE1-CZ3 3.9Å; F342-W349 HydrophobicContact CE1-CZ3 3.9Å; Q343-W349 HydrophobicContact CB-CB 4.13Å; Q343-W349 HydrophobicContact CB-CD2 3.8Å; Q343-W349 HydrophobicContact CB-CE3 4.22Å; Q343-W349 HydrophobicContact CB-CG 3.71Å; Q343-W349 VanDerWaalsContact CD-CD1 3.46Å; Q343-W349 HydrophobicContact CG-CD2 3.69Å; Q343-W349 HydrophobicContact CG-CE3 4.32Å; Q343-W349 HydrophobicContact CG-CG 3.83Å; Q343-W349 HydrophobicContact CG-CZ2 4.19Å; F346-W349 HydrophobicContact CB-CE3 4.16Å; F346-W349 AromaticContact CD2-CE3 3.78Å; F346-W349 HydrophobicContact CD2-CE3 3.78Å; F346-W349 AromaticContact CD2-CZ3 3.65Å; F346-W349 HydrophobicContact CD2-CZ3 3.65Å; F346-W349 HydrophobicContact CE2-CE3 4.43Å; F346-W349 AromaticContact CE2-CZ3 3.84Å; F346-W349 HydrophobicContact CE2-CZ3 3.84Å; F346-W349 AromaticContact CG-CE3 3.98Å; F346-W349 HydrophobicContact CG-CE3 3.98Å; F346-W349 HydrophobicContact CG-CZ3 4.05Å; F346-W349 HydrophobicContact CZ-CZ3 4.36Å
350	T	63.5	Low	52.6	Low	61 Å²	61	78.2 Å²	78.2	37%	0.374	44%	0.443	S	S	.	.			trans	-124.3	128.7	-178.5	58.5	0	0	0	0	110.2	Q277 K348	Q277-T350 PolarHBondContact NE2-O 3.4Å; Q277-T350 PolarHBondContact OE1-O 3.18Å; Q277-T350 PolarHBondContact OE1-OG1 3.49Å; K348-T350 HydrophobicContact CD-CG2 4.49Å; K348-T350 HydrophobicContact CG-CG2 4.34Å
351	A	55.8	Low	50.7	Low	64 Å²	64	81.5 Å²	81.5	53%	0.529	46%	0.46	S	S	.	.			trans	-84.6	115.9	175.7	0	0	0	0	0	109.8	N353	A351-N353 PolarHBondContact O-N 2.86Å
352	S	44	Very low	48.5	Very low	107 Å²	107	87.5 Å²	87.5	75%	0.748	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-3.1	-169.1	172.5	0	0	0	0	117.1
353	N	39.6	Very low	46.2	Very low	149 Å²	149	92.8 Å²	92.8	80%	0.797	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.2	20.8	-171	-77	-40.3	0	0	0	116.1	A351	A351-N353 PolarHBondContact O-N 2.86Å
354	R	35.9	Very low	44.1	Very low	158 Å²	158	97.8 Å²	97.8	60%	0.596	55%	0.55	S	S	*	*			trans	-109.9	56.4	171	-75.2	-165.7	174.1	-173.2	-1	112.3	S56 S356	S56-R354 PolarHBondContact OG-NH2 3.42Å; R354-S356 PolarHBondContact O-N 2.93Å
355	T	28.8	Very low	42.2	Very low	134 Å²	134	99.1 Å²	99.1	82%	0.822	57%	0.572	S	S	*	*			trans	-73.6	111	156.4	36.9	0	0	0	0	108.9
356	S	27.9	Very low	40	Very low	96 Å²	96	103.9 Å²	103.9	67%	0.671	61%	0.607	S	S	*	*			trans	-180	119.4	140.4	-77.6	0	0	0	0	110.7	R354	R354-S356 PolarHBondContact O-N 2.93Å
357	G	27.6	Very low	37.8	Very low	35 Å²	35	112.5 Å²	112.5	36%	0.361	65%	0.649	S	S	.	*			trans	-79	173.3	167.1	0	0	0	0	0	113.1	G359	G357-G359 PolarHBondContact O-N 3.3Å; G357-G359 VanDerWaalsContact O-N 3.17Å
358	L	29.3	Very low	35.9	Very low	165 Å²	165	112 Å²	112	86%	0.864	66%	0.662	S	S	*	*	S	Bend	trans	-71.8	102.4	167.8	-112.2	82.4	0	0	0	109
359	G	30.4	Very low	33.9	Very low	61 Å²	61	116.6 Å²	116.6	63%	0.629	68%	0.682	S	S	*	*	S	Bend	trans	174.2	81.4	174.7	0	0	0	0	0	112.5	G357	G357-G359 PolarHBondContact O-N 3.3Å; G357-G359 VanDerWaalsContact O-N 3.17Å
360	K	30	Very low	32.1	Very low	192 Å²	192	120.9 Å²	120.9	84%	0.835	71%	0.712	S	S	*	*			trans	48	80.7	172.2	-65	-175.1	179.5	179.4	0	115.3	H362	K360-H362 PolarHBondContact O-N 3.28Å; K360-H362 VanDerWaalsContact O-N 3.08Å
361	T	25.8	Very low	30.2	Very low	98 Å²	98	126.2 Å²	126.2	60%	0.601	73%	0.733	S	S	*	*			trans	-68.6	102.4	162.4	-10.4	0	0	0	0	109.3	T363	T361-T363 VanDerWaalsContact C-N 3.32Å; T361-T363 PolarHBondContact O-N 3.44Å
362	H	23.5	Very low	29	Very low	177 Å²	177	130.5 Å²	130.5	82%	0.819	74%	0.742	S	S	*	*			trans	-76.5	90.5	155.6	-82.6	-75.3	0	0	0	107.6	K360 V364	K360-H362 PolarHBondContact O-N 3.28Å; K360-H362 VanDerWaalsContact O-N 3.08Å; H362-V364 PolarHBondContact O-N 2.98Å
363	T	26.2	Very low	28.7	Very low	111 Å²	111	130.2 Å²	130.2	68%	0.681	74%	0.735	S	S	*	*			trans	-79.9	105.7	170.3	-39.5	0	0	0	0	108.3	T361 G365	T361-T363 VanDerWaalsContact C-N 3.32Å; T361-T363 PolarHBondContact O-N 3.44Å; T363-G365 PolarHBondContact O-N 3.18Å
364	V	28.5	Very low	28.9	Very low	152 Å²	152	132 Å²	132	92%	0.921	74%	0.736	S	S	*	*			trans	-75.7	104.8	164	179.5	0	0	0	0	106.9	H362	H362-V364 PolarHBondContact O-N 2.98Å
365	G	26.5	Very low	29.7	Very low	58 Å²	58	129.1 Å²	129.1	60%	0.598	73%	0.728	S	S	*	*	S	Bend	trans	134.8	95.5	172.4	0	0	0	0	0	114.4	T363	T363-G365 PolarHBondContact O-N 3.18Å
366	S	27.1	Very low	31.2	Very low	113 Å²	113	126.1 Å²	126.1	79%	0.79	71%	0.707	S	S	*	*			trans	37.6	91.1	156.6	-165.5	0	0	0	0	119.5
367	M	27.9	Very low	32.7	Very low	182 Å²	182	122.3 Å²	122.3	90%	0.897	68%	0.681	S	S	*	*			trans	35.5	91.4	137.1	-60.1	-166.8	-66.1	0	0	119
368	A	22.9	Very low	34.3	Very low	89 Å²	89	124.9 Å²	124.9	74%	0.736	69%	0.69	S	S	*	*				-127.7	111.8	121.9	0	0	0	0	0	106.4	V370	A368-V370 VanDerWaalsContact C-N 3.27Å; A368-V370 PolarHBondContact O-N 3.43Å
369	K	24.1	Very low	35.9	Very low	212 Å²	212	118.4 Å²	118.4	92%	0.922	66%	0.658	S	S	*	*			trans	-63.4	97.4	166.7	-103.6	-178	175	179.3	0	105.9	E371	K369-E371 PolarHBondContact O-N 3.01Å; K369-E371 VanDerWaalsContact O-N 3.09Å
370	V	28.8	Very low	37.8	Very low	125 Å²	125	115.7 Å²	115.7	76%	0.758	63%	0.629	S	S	*	*			trans	-65	109.7	161.1	179.6	0	0	0	0	104.6	A368 Q372	A368-V370 VanDerWaalsContact C-N 3.27Å; A368-V370 PolarHBondContact O-N 3.43Å; V370-Q372 VanDerWaalsContact C-N 3.35Å; V370-Q372 PolarHBondContact O-N 3.35Å
371	E	24.6	Very low	39.6	Very low	173 Å²	173	110.5 Å²	110.5	81%	0.808	61%	0.608	S	S	*	*			trans	-62	102.2	172.5	-141.9	177.5	-161.2	0	0	106.5	K369 V373	K369-E371 PolarHBondContact O-N 3.01Å; K369-E371 VanDerWaalsContact O-N 3.09Å; E371-V373 PolarHBondContact O-N 2.98Å
372	Q	29.8	Very low	41.7	Very low	154 Å²	154	110.7 Å²	110.7	72%	0.72	61%	0.609	S	S	*	*			trans	-66.8	93.4	166.5	-77.4	-174.2	-13.7	0	0	105.8	V370 K374	V370-Q372 VanDerWaalsContact C-N 3.35Å; V370-Q372 PolarHBondContact O-N 3.35Å; Q372-K374 PolarHBondContact O-N 3.05Å
373	V	37.7	Very low	44.3	Very low	100 Å²	100	106.8 Å²	106.8	61%	0.606	59%	0.589	S	S	*	*			trans	-54.6	112	168.6	-175.9	0	0	0	0	105.5	E371 F375	E371-V373 PolarHBondContact O-N 2.98Å; V373-F375 PolarHBondContact O-N 3.32Å
374	K	43.1	Very low	46.7	Very low	187 Å²	187	103.5 Å²	103.5	81%	0.813	57%	0.57	S	S	*	*			trans	-56.2	130.4	175.2	-75.4	-177.6	176.3	-179.4	0	107.6	Q372 D376	Q372-K374 PolarHBondContact O-N 3.05Å; K374-D376 PolarHBondContact O-N 2.93Å; K374-D376 VanDerWaalsContact O-N 3.12Å
375	F	53.8	Low	48.8	Very low	98 Å²	98	100.9 Å²	100.9	43%	0.43	55%	0.547	S	S	.	.			trans	-53.4	116.6	172.3	174.7	-96.1	0	0	0	108.7	V373 A377 Q390 M392	V373-F375 PolarHBondContact O-N 3.32Å; F375-A377 HydrophobicContact CE1-CB 3.8Å; F375-A377 HydrophobicContact CZ-CB 4Å; F375-Q390 HydrophobicContact CD2-CG 4.16Å; F375-Q390 HydrophobicContact CE2-CB 4Å; F375-Q390 HydrophobicContact CE2-CG 3.9Å; F375-M392 HydrophobicContact CZ-CG 4.2Å
376	D	60.6	Low	51.2	Low	71 Å²	71	100.6 Å²	100.6	38%	0.38	53%	0.534	S	S	.	.			trans	-124.1	96.2	178.2	172.6	24.6	0	0	0	108.4	K374 T378 S379	K374-D376 PolarHBondContact O-N 2.93Å; K374-D376 VanDerWaalsContact O-N 3.12Å; D376-T378 PolarHBondContact O-N 3.44Å; D376-T378 VanDerWaalsContact O-N 3.14Å; D376-T378 WeakPolarHBondContact OD1-CB 3.49Å; D376-T378 PolarHBondContact OD1-N 3.22Å; D376-T378 VanDerWaalsContact OD1-N 3.13Å; D376-T378 PolarHBondContact OD1-OG1 3.11Å; D376-T378 PolarHBondContact OD2-OG1 2.99Å; D376-S379 PolarHBondContact O-N 3.29Å; D376-S379 PolarHBondContact O-OG 3.43Å; D376-S379 WeakPolarHBondContact OD2-CB 3.18Å; D376-S379 PolarHBondContact OD2-OG 3.32Å
377	A	58.2	Low	53.8	Low	15 Å²	15	95.2 Å²	95.2	12%	0.124	50%	0.496	C	S	.	.	G	3₁₀ helix	trans	-65.1	-13.3	-177.7	0	0	0	0	0	113.3	F375 M380 D394 D395	F375-A377 HydrophobicContact CE1-CB 3.8Å; F375-A377 HydrophobicContact CZ-CB 4Å; A377-M380 VanDerWaalsContact O-CG 3.24Å; A377-M380 WeakPolarHBondContact O-CG 3.46Å; A377-D394 CarbonylContact O-C 3.57Å; A377-D395 HydrophobicContact CB-CB 3.51Å; A377-D395 PolarHBondContact O-N 2.92Å
378	T	61.8	Low	56.3	Low	90 Å²	90	86.7 Å²	86.7	55%	0.552	46%	0.455	S	S	*	.	G	3₁₀ helix	trans	-82	-21.8	-180	69.8	0	0	0	0	113.4	D376 H381	D376-T378 PolarHBondContact O-N 3.44Å; D376-T378 VanDerWaalsContact O-N 3.14Å; D376-T378 WeakPolarHBondContact OD1-CB 3.49Å; D376-T378 PolarHBondContact OD1-N 3.22Å; D376-T378 VanDerWaalsContact OD1-N 3.13Å; D376-T378 PolarHBondContact OD1-OG1 3.11Å; D376-T378 PolarHBondContact OD2-OG1 2.99Å; T378-H381 PolarHBondContact O-CE1 3.06Å
379	S	63.8	Low	58.9	Low	29 Å²	29	88.4 Å²	88.4	20%	0.203	45%	0.447	C	S	.	.	G	3₁₀ helix	trans	-104.9	16.8	-179.3	56.8	0	0	0	0	114.1	D376 H381 V382 K383	D376-S379 PolarHBondContact O-N 3.29Å; D376-S379 PolarHBondContact O-OG 3.43Å; D376-S379 WeakPolarHBondContact OD2-CB 3.18Å; D376-S379 PolarHBondContact OD2-OG 3.32Å; S379-H381 VanDerWaalsContact C-N 3.32Å; S379-H381 PolarHBondContact O-N 3.22Å; S379-V382 WeakPolarHBondContact O-CB 3.36Å; S379-V382 PolarHBondContact O-N 3.38Å; S379-K383 PolarHBondContact O-N 3.02Å
380	M	69.8	Low	61.4	Low	4 Å²	4	82.4 Å²	82.4	2%	0.02	42%	0.423	C	S	.	.	G	3₁₀ helix	trans	-62.7	-34	-174.5	-65.4	-52.7	-50.5	0	0	114	A377 V382 K383 V386 A387	A377-M380 VanDerWaalsContact O-CG 3.24Å; A377-M380 WeakPolarHBondContact O-CG 3.46Å; M380-V382 PolarHBondContact O-N 3.06Å; M380-K383 CarbonylContact O-C 3.52Å; M380-K383 VanDerWaalsContact O-C 3.25Å; M380-K383 PolarHBondContact O-N 3.2Å; M380-K383 VanDerWaalsContact O-N 3.11Å; M380-V386 HydrophobicContact CE-CB 3.91Å; M380-V386 HydrophobicContact CE-CG1 3.84Å; M380-V386 HydrophobicContact SD-CG1 4.33Å; M380-A387 HydrophobicContact CB-CB 4.38Å; M380-A387 HydrophobicContact CE-CB 3.54Å
381	H	66.4	Low	64.1	Low	83 Å²	83	78.8 Å²	78.8	38%	0.384	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-65.3	-22	174.7	62.8	-85.5	0	0	0	113.4	T378 S379 I435	T378-H381 PolarHBondContact O-CE1 3.06Å; S379-H381 VanDerWaalsContact C-N 3.32Å; S379-H381 PolarHBondContact O-N 3.22Å; H381-I435 HydrophobicContact CB-CB 4.49Å; H381-I435 HydrophobicContact CB-CD1 4.31Å; H381-I435 HydrophobicContact CB-CG1 4.03Å; H381-I435 HydrophobicContact CB-CG2 3.86Å
382	V	69.7	Low	67	Low	102 Å²	102	70.7 Å²	70.7	62%	0.618	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-87	-18	176.5	-168.2	0	0	0	0	111.4	S379 M380	S379-V382 WeakPolarHBondContact O-CB 3.36Å; S379-V382 PolarHBondContact O-N 3.38Å; M380-V382 PolarHBondContact O-N 3.06Å
383	K	78.2	Confident	69.6	Low	94 Å²	94	63.6 Å²	63.6	41%	0.409	33%	0.326	S	S	.	.			trans	-128.8	69.4	-177.6	-66.4	-179	-178	171.2	0	110.9	S379 M380 Q385 V386 A387	S379-K383 PolarHBondContact O-N 3.02Å; M380-K383 CarbonylContact O-C 3.52Å; M380-K383 VanDerWaalsContact O-C 3.25Å; M380-K383 PolarHBondContact O-N 3.2Å; M380-K383 VanDerWaalsContact O-N 3.11Å; K383-Q385 VanDerWaalsContact C-N 3.26Å; K383-Q385 PolarHBondContact O-N 3.2Å; K383-V386 HydrophobicContact CB-CB 4.17Å; K383-V386 HydrophobicContact CB-CG2 3.97Å; K383-V386 HydrophobicContact CD-CG2 4.37Å; K383-V386 PolarHBondContact O-N 3.17Å; K383-A387 PolarHBondContact O-N 2.97Å; K383-A387 VanDerWaalsContact O-N 3.12Å
384	P	76.5	Confident	72	Confident	42 Å²	42	60 Å²	60	27%	0.273	30%	0.303	S	S	.	.	H	α-helix	trans	-58.6	-35.2	-173.7	22.7	-33.3	0	0	0	112.8	V386 A387 A388 P705 G709	P384-V386 VanDerWaalsContact C-N 3.3Å; P384-V386 PolarHBondContact O-N 2.79Å; P384-A387 WeakPolarHBondContact O-CA 3.28Å; P384-A387 VanDerWaalsContact O-CB 3.31Å; P384-A387 WeakPolarHBondContact O-CB 3.45Å; P384-A387 PolarHBondContact O-N 3.45Å; P384-A388 PolarHBondContact O-N 3.49Å; P384-P705 HydrophobicContact CB-CB 4.46Å; P384-G709 VanDerWaalsContact O-CA 3.25Å; P384-G709 WeakPolarHBondContact O-CA 3.41Å
385	Q	74.2	Confident	74	Confident	97 Å²	97	54 Å²	54	45%	0.453	28%	0.28	S	S	.	.	H	α-helix	trans	-58.6	-39.7	174.8	-70.1	171.6	-2.1	0	0	113.1	K383 A387 Q389 G709	K383-Q385 VanDerWaalsContact C-N 3.26Å; K383-Q385 PolarHBondContact O-N 3.2Å; Q385-A387 VanDerWaalsContact C-N 3.34Å; Q385-Q389 VanDerWaalsContact O-CG 3.29Å; Q385-Q389 WeakPolarHBondContact O-CG 3.26Å; Q385-Q389 PolarHBondContact O-N 3.05Å; Q385-Q389 VanDerWaalsContact O-N 3.13Å; Q385-G709 WeakPolarHBondContact CG-O 3.31Å
386	V	76.9	Confident	75.6	Confident	53 Å²	53	49.4 Å²	49.4	32%	0.321	26%	0.261	S	S	.	.	H	α-helix	trans	-71.3	-36.1	176	-172.8	0	0	0	0	109.5	M380 K383 P384 Q389 Q390	M380-V386 HydrophobicContact CE-CB 3.91Å; M380-V386 HydrophobicContact CE-CG1 3.84Å; M380-V386 HydrophobicContact SD-CG1 4.33Å; K383-V386 HydrophobicContact CB-CB 4.17Å; K383-V386 HydrophobicContact CB-CG2 3.97Å; K383-V386 HydrophobicContact CD-CG2 4.37Å; K383-V386 PolarHBondContact O-N 3.17Å; P384-V386 VanDerWaalsContact C-N 3.3Å; P384-V386 PolarHBondContact O-N 2.79Å; V386-Q389 PolarHBondContact O-N 2.85Å; V386-Q390 HydrophobicContact CG1-CG 3.93Å; V386-Q390 VanDerWaalsContact O-CB 3.27Å; V386-Q390 WeakPolarHBondContact O-CB 3.19Å; V386-Q390 VanDerWaalsContact O-CG 3.24Å; V386-Q390 WeakPolarHBondContact O-CG 3.48Å; V386-Q390 PolarHBondContact O-N 2.8Å
387	A	80.7	Confident	76.9	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-62	-46.8	176.8	0	0	0	0	0	112	M380 K383 P384 Q385 K391 M392 P705	M380-A387 HydrophobicContact CB-CB 4.38Å; M380-A387 HydrophobicContact CE-CB 3.54Å; K383-A387 PolarHBondContact O-N 2.97Å; K383-A387 VanDerWaalsContact O-N 3.12Å; P384-A387 WeakPolarHBondContact O-CA 3.28Å; P384-A387 VanDerWaalsContact O-CB 3.31Å; P384-A387 WeakPolarHBondContact O-CB 3.45Å; P384-A387 PolarHBondContact O-N 3.45Å; Q385-A387 VanDerWaalsContact C-N 3.34Å; A387-K391 VanDerWaalsContact O-CA 3.28Å; A387-K391 WeakPolarHBondContact O-CA 3.47Å; A387-K391 PolarHBondContact O-N 2.93Å; A387-M392 WeakPolarHBondContact CA-O 3.46Å; A387-M392 WeakPolarHBondContact CB-O 3.44Å; A387-M392 PolarHBondContact O-N 3.24Å; A387-P705 HydrophobicContact CB-CB 3.67Å
388	A	81.3	Confident	78.4	Confident	3 Å²	3	50.1 Å²	50.1	3%	0.025	28%	0.275	C	S	.	.	H	α-helix	trans	-57.6	-49.9	173.5	0	0	0	0	0	112.4	P384 Q390 K391 T706 W710	P384-A388 PolarHBondContact O-N 3.49Å; A388-Q390 PolarHBondContact O-N 3.16Å; A388-K391 PolarHBondContact O-N 3.45Å; A388-T706 WeakPolarHBondContact CB-O 3.49Å; A388-W710 HydrophobicContact CB-CD2 4.07Å; A388-W710 HydrophobicContact CB-CG 4.18Å; A388-W710 HydrophobicContact CB-CZ2 4.22Å
389	Q	76.4	Confident	79.9	Confident	124 Å²	124	51.5 Å²	51.5	58%	0.579	28%	0.275	S	S	*	.	H	α-helix	trans	-67.2	-38.6	-178.4	-71.3	173.5	5	0	0	113.2	Q385 V386	Q385-Q389 VanDerWaalsContact O-CG 3.29Å; Q385-Q389 WeakPolarHBondContact O-CG 3.26Å; Q385-Q389 PolarHBondContact O-N 3.05Å; Q385-Q389 VanDerWaalsContact O-N 3.13Å; V386-Q389 PolarHBondContact O-N 2.85Å
390	Q	77.7	Confident	81.4	Confident	86 Å²	86	52.1 Å²	52.1	40%	0.402	28%	0.278	S	S	.	.	H	α-helix	trans	-88.3	-12.1	-178.6	-60.7	-61.2	-42.4	0	0	113.1	F375 V386 A388 M392	F375-Q390 HydrophobicContact CD2-CG 4.16Å; F375-Q390 HydrophobicContact CE2-CB 4Å; F375-Q390 HydrophobicContact CE2-CG 3.9Å; V386-Q390 HydrophobicContact CG1-CG 3.93Å; V386-Q390 VanDerWaalsContact O-CB 3.27Å; V386-Q390 WeakPolarHBondContact O-CB 3.19Å; V386-Q390 VanDerWaalsContact O-CG 3.24Å; V386-Q390 WeakPolarHBondContact O-CG 3.48Å; V386-Q390 PolarHBondContact O-N 2.8Å; A388-Q390 PolarHBondContact O-N 3.16Å; Q390-M392 VanDerWaalsContact C-N 3.33Å; Q390-M392 HydrophobicContact CB-CG 4.2Å; Q390-M392 WeakPolarHBondContact O-CG 3.44Å
391	K	85.1	Confident	82.6	Confident	50 Å²	50	55 Å²	55	22%	0.217	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.3	42	-177.6	-56	148.3	-172.1	-178.5	0	112.4	A387 A388 P486 D656	A387-K391 VanDerWaalsContact O-CA 3.28Å; A387-K391 WeakPolarHBondContact O-CA 3.47Å; A387-K391 PolarHBondContact O-N 2.93Å; A388-K391 PolarHBondContact O-N 3.45Å; K391-P486 HydrophobicContact CB-CG 4.17Å; K391-P486 HydrophobicContact CD-CG 4.36Å; K391-D656 WeakPolarHBondContact CD-OD2 3.14Å; K391-D656 WeakPolarHBondContact CE-OD1 3.25Å; K391-D656 WeakPolarHBondContact CE-OD2 3.36Å; K391-D656 IonicContact NZ-OD1 3.52Å; K391-D656 PolarHBondContact NZ-OD1 3.19Å; K391-D656 IonicContact NZ-OD2 3.16Å; K391-D656 PolarHBondContact NZ-OD2 2.93Å
392	M	85.3	Confident	84	Confident	2 Å²	2	51.7 Å²	51.7	1%	0.01	28%	0.277	C	S	.	.			trans	-128.8	121.5	-177.5	-62.3	-66.9	-60	0	0	109.4	F375 A387 Q390 D394 P486 H487 S490 N526	F375-M392 HydrophobicContact CZ-CG 4.2Å; A387-M392 WeakPolarHBondContact CA-O 3.46Å; A387-M392 WeakPolarHBondContact CB-O 3.44Å; A387-M392 PolarHBondContact O-N 3.24Å; Q390-M392 VanDerWaalsContact C-N 3.33Å; Q390-M392 HydrophobicContact CB-CG 4.2Å; Q390-M392 WeakPolarHBondContact O-CG 3.44Å; M392-D394 WeakPolarHBondContact CE-O 3.45Å; M392-P486 HydrophobicContact SD-CB 3.82Å; M392-H487 HydrophobicContact SD-CB 4.13Å; M392-S490 VanDerWaalsContact CE-OG 3.31Å; M392-S490 WeakPolarHBondContact CE-OG 3.46Å; M392-N526 HydrophobicContact CE-CB 4.3Å; M392-N526 HydrophobicContact SD-CB 4.42Å
393	V	85.5	Confident	85.3	Confident	5 Å²	5	48.7 Å²	48.7	3%	0.03	25%	0.254	C	S	.	.	S	Bend	trans	-82.9	-32	171.8	-61.4	0	0	0	0	112.1	Y433 L442 H487 P704 T706	V393-Y433 HydrophobicContact CB-CE2 4.08Å; V393-Y433 HydrophobicContact CG2-CD2 4.37Å; V393-Y433 HydrophobicContact CG2-CE1 4.32Å; V393-Y433 HydrophobicContact CG2-CE2 4.08Å; V393-L442 HydrophobicContact CG1-CD1 4.46Å; V393-L442 HydrophobicContact CG2-CD1 3.73Å; V393-H487 VanDerWaalsContact CG2-CD2 3.44Å; V393-H487 WeakPolarHBondContact CG2-CD2 3.45Å; V393-H487 WeakPolarHBondContact CG2-NE2 3.42Å; V393-P704 HydrophobicContact CG1-CB 3.98Å; V393-T706 HydrophobicContact CG1-CG2 3.66Å
394	D	87.1	Confident	86	Confident	24 Å²	24	45 Å²	45	13%	0.128	24%	0.238	C	C	.	.	S	Bend	trans	-153.5	-155.5	173.9	70.3	3.1	0	0	0	110.3	A377 M392 G396 Y431 Y433 H487	A377-D394 CarbonylContact O-C 3.57Å; M392-D394 WeakPolarHBondContact CE-O 3.45Å; D394-G396 PolarHBondContact OD1-N 2.94Å; D394-Y431 PolarHBondContact OD1-OH 2.97Å; D394-Y431 PolarHBondContact OD2-OH 2.81Å; D394-Y433 VanDerWaalsContact OD2-CB 3.26Å; D394-Y433 WeakPolarHBondContact OD2-CB 3.34Å; D394-H487 IonicContact OD1-CD2 2.68Å; D394-H487 IonicContact OD1-NE2 2.83Å; D394-H487 PolarHBondContact OD1-NE2 3.27Å
395	D	84.9	Confident	86.9	Confident	61 Å²	61	43 Å²	43	33%	0.326	23%	0.225	S	C	.	.			trans	-92.6	3.2	178.9	71.8	-16.6	0	0	0	115.1	A377 S397	A377-D395 HydrophobicContact CB-CB 3.51Å; A377-D395 PolarHBondContact O-N 2.92Å; D395-S397 WeakPolarHBondContact OD1-CB 3.26Å; D395-S397 PolarHBondContact OD1-N 3.02Å; D395-S397 PolarHBondContact OD1-OG 3.04Å; D395-S397 PolarHBondContact OD2-OG 3.19Å
396	G	87.3	Confident	87.6	Confident	3 Å²	3	39.9 Å²	39.9	3%	0.031	21%	0.21	C	C	.	.	S	Bend	trans	76.6	16.3	-175.6	0	0	0	0	0	114.6	D394 Y431	D394-G396 PolarHBondContact OD1-N 2.94Å; G396-Y431 WeakPolarHBondContact CA-OH 3.4Å
397	S	88.1	Confident	88	Confident	72 Å²	72	44.2 Å²	44.2	50%	0.503	23%	0.231	S	C	.	.			trans	-87	-4.5	-178.4	66.8	0	0	0	0	115.6	D395 Y431	D395-S397 WeakPolarHBondContact OD1-CB 3.26Å; D395-S397 PolarHBondContact OD1-N 3.02Å; D395-S397 PolarHBondContact OD1-OG 3.04Å; D395-S397 PolarHBondContact OD2-OG 3.19Å; S397-Y431 PolarHBondContact N-OH 2.82Å
398	G	89.9	Confident	88.3	Confident	28 Å²	28	48.3 Å²	48.3	29%	0.289	25%	0.253	S	S	.	.	S	Bend	trans	-66	179.2	178.8	0	0	0	0	0	114.6	Y431 T432	G398-Y431 WeakPolarHBondContact CA-OH 3.38Å; G398-Y431 PolarHBondContact N-OH 2.59Å; G398-T432 WeakPolarHBondContact CA-O 3.42Å
399	E	93.6	Very high	88.8	Confident	120 Å²	120	53.9 Å²	53.9	56%	0.561	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.2	130.3	-179.5	-170.5	-173.8	152.4	0	0	110.1	Q401 Y431 T432	E399-Q401 PolarHBondContact OE1-NE2 3.26Å; E399-Y431 CarbonylContact O-C 3.55Å; E399-Y431 WeakPolarHBondContact O-CA 3.46Å; E399-T432 PolarHBondContact N-O 3.31Å; E399-T432 PolarHBondContact O-N 2.82Å
400	V	94.4	Very high	89.6	Confident	42 Å²	42	50.1 Å²	50.1	26%	0.255	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	131.7	176.2	66.7	0	0	0	0	111.2	V402 L429 L430 Y431 I491	V400-V402 HydrophobicContact CG2-CG2 3.86Å; V400-L429 HydrophobicContact CG2-CB 4.31Å; V400-L430 WeakPolarHBondContact CA-O 3.45Å; V400-Y431 HydrophobicContact CB-CD2 4.24Å; V400-I491 HydrophobicContact CB-CG2 4.02Å; V400-I491 HydrophobicContact CG1-CG2 3.92Å; V400-I491 HydrophobicContact CG2-CG2 4.11Å
401	Q	95.3	Very high	90.4	Very high	65 Å²	65	48.4 Å²	48.4	30%	0.304	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	130.3	170.5	-61.4	176.8	10.3	0	0	108.2	E399 W403 L429 L430	E399-Q401 PolarHBondContact OE1-NE2 3.26Å; Q401-W403 HydrophobicContact CB-CH2 3.26Å; Q401-W403 HydrophobicContact CB-CZ2 3.75Å; Q401-W403 HydrophobicContact CB-CZ3 3.69Å; Q401-W403 HydrophobicContact CG-CH2 4.27Å; Q401-W403 WeakPolarHBondContact O-CZ3 3.48Å; Q401-W403 VanDerWaalsContact OE1-CH2 3.24Å; Q401-L429 CarbonylContact O-C 3.57Å; Q401-L429 VanDerWaalsContact O-CA 3.29Å; Q401-L429 WeakPolarHBondContact O-CA 3.43Å; Q401-L430 PolarHBondContact N-O 2.58Å; Q401-L430 PolarHBondContact O-N 3.44Å
402	V	96	Very high	90.8	Very high	13 Å²	13	50.4 Å²	50.4	8%	0.079	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	127.5	-173.2	-174.8	0	0	0	0	110	V400 V413 L418 Y427 L428 L429	V400-V402 HydrophobicContact CG2-CG2 3.86Å; V402-V413 HydrophobicContact CB-CB 4.3Å; V402-V413 HydrophobicContact CB-CG2 4.46Å; V402-V413 HydrophobicContact CG1-CB 4.07Å; V402-V413 HydrophobicContact CG1-CG2 3.79Å; V402-V413 PolarHBondContact O-N 3.38Å; V402-L418 HydrophobicContact CB-CD2 3.77Å; V402-L418 HydrophobicContact CG2-CD2 3.61Å; V402-Y427 HydrophobicContact CG1-CD1 4.49Å; V402-L428 WeakPolarHBondContact CA-O 3.44Å; V402-L429 HydrophobicContact CG1-CD2 4.22Å; V402-L429 HydrophobicContact CG1-CG 4.12Å; V402-L429 HydrophobicContact CG2-CB 4.47Å; V402-L429 HydrophobicContact CG2-CD2 3.75Å; V402-L429 HydrophobicContact CG2-CG 4.08Å
403	W	96.1	Very high	91.1	Very high	38 Å²	38	51.1 Å²	51.1	14%	0.144	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	149.5	174.1	-57.9	-92.5	0	0	0	110.4	Q401 L410 V411 Y427 L428 L430 L466	Q401-W403 HydrophobicContact CB-CH2 3.26Å; Q401-W403 HydrophobicContact CB-CZ2 3.75Å; Q401-W403 HydrophobicContact CB-CZ3 3.69Å; Q401-W403 HydrophobicContact CG-CH2 4.27Å; Q401-W403 WeakPolarHBondContact O-CZ3 3.48Å; Q401-W403 VanDerWaalsContact OE1-CH2 3.24Å; W403-L410 HydrophobicContact CB-CB 4.23Å; W403-L410 HydrophobicContact CB-CD2 3.68Å; W403-L410 HydrophobicContact CG-CB 4.26Å; W403-L410 HydrophobicContact CG-CD2 4.24Å; W403-V411 CarbonylContact C-O 3.59Å; W403-V411 VanDerWaalsContact CA-O 3.3Å; W403-V411 WeakPolarHBondContact CA-O 3.26Å; W403-Y427 CarbonylContact O-C 3.57Å; W403-Y427 WeakPolarHBondContact O-CA 3.27Å; W403-Y427 WeakPolarHBondContact O-CB 3.28Å; W403-L428 HydrophobicContact CE3-CB 4.38Å; W403-L428 PolarHBondContact N-O 3.24Å; W403-L428 PolarHBondContact O-N 3.04Å; W403-L430 HydrophobicContact CH2-CB 3.95Å; W403-L430 HydrophobicContact CH2-CD2 4.43Å; W403-L430 HydrophobicContact CZ3-CB 3.61Å; W403-L466 HydrophobicContact CE3-CD2 4.34Å; W403-L466 HydrophobicContact CH2-CD2 4.3Å; W403-L466 HydrophobicContact CZ3-CD2 3.85Å
404	R	94.8	Very high	91.1	Very high	18 Å²	18	54.3 Å²	54.3	7%	0.068	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	145.8	168	178.3	178.1	60.2	-136.8	3.7	108.6	E406 V411 V413 D425 C426 Y427 S504	R404-E406 HydrophobicContact CG-CG 4.32Å; R404-E406 IonicContact CZ-OE1 3.65Å; R404-E406 IonicContact NE-OE1 3.82Å; R404-E406 PolarHBondContact NE-OE1 3.44Å; R404-E406 IonicContact NH2-OE1 3.16Å; R404-E406 PolarHBondContact NH2-OE1 2.65Å; R404-E406 IonicContact NH2-OE2 3.73Å; R404-V411 PolarHBondContact N-O 3.01Å; R404-V411 PolarHBondContact O-N 2.81Å; R404-V413 HydrophobicContact CB-CG2 4Å; R404-D425 HydrophobicContact CG-CB 4.2Å; R404-C426 WeakPolarHBondContact CA-O 3.49Å; R404-Y427 HydrophobicContact CB-CD1 3.97Å; R404-Y427 HydrophobicContact CB-CE1 3.96Å; R404-Y427 HydrophobicContact CG-CD1 4.38Å; R404-Y427 HydrophobicContact CG-CE1 4.07Å; R404-S504 WeakPolarHBondContact CD-OG 3.29Å; R404-S504 PolarHBondContact NH1-O 2.76Å; R404-S504 PolarHBondContact NH1-OG 3.05Å
405	I	93.9	Very high	91	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	123.4	171.1	-59.3	-62.9	0	0	0	109.5	E409 L410 C426 L428 E455 A458 Q462	I405-E409 WeakPolarHBondContact CA-O 3.31Å; I405-L410 HydrophobicContact CD1-CD2 3.63Å; I405-L410 HydrophobicContact CD1-CG 4.44Å; I405-C426 HydrophobicContact CB-CB 4.32Å; I405-C426 HydrophobicContact CG1-CB 4.08Å; I405-C426 PolarHBondContact N-O 3.07Å; I405-L428 HydrophobicContact CD1-CD1 3.82Å; I405-L428 HydrophobicContact CG1-CD1 4.05Å; I405-E455 HydrophobicContact CG2-CB 4.34Å; I405-E455 HydrophobicContact CG2-CG 4.29Å; I405-A458 HydrophobicContact CG2-CB 3.95Å; I405-Q462 HydrophobicContact CD1-CB 4.06Å; I405-Q462 HydrophobicContact CD1-CG 3.92Å
406	E	89.7	Confident	90.7	Very high	31 Å²	31	61 Å²	61	15%	0.145	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	128.4	173.7	-72.4	175.2	-119.4	0	0	109.8	R404 L408 E409 V411 R505	R404-E406 HydrophobicContact CG-CG 4.32Å; R404-E406 IonicContact CZ-OE1 3.65Å; R404-E406 IonicContact NE-OE1 3.82Å; R404-E406 PolarHBondContact NE-OE1 3.44Å; R404-E406 IonicContact NH2-OE1 3.16Å; R404-E406 PolarHBondContact NH2-OE1 2.65Å; R404-E406 IonicContact NH2-OE2 3.73Å; E406-L408 PolarHBondContact O-N 3.14Å; E406-L408 VanDerWaalsContact O-N 3.14Å; E406-E409 PolarHBondContact N-O 3.13Å; E406-E409 PolarHBondContact O-N 3.16Å; E406-V411 HydrophobicContact CB-CG2 3.83Å; E406-V411 HydrophobicContact CG-CG2 4.25Å; E406-V411 WeakPolarHBondContact OE1-CB 3.29Å; E406-V411 WeakPolarHBondContact OE1-CG1 3.24Å; E406-R505 HydrophobicContact CG-CG 3.79Å
407	N	85.8	Confident	90.6	Very high	143 Å²	143	65.3 Å²	65.3	77%	0.765	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	38.7	-177.7	-53.7	-42.8	0	0	0	112.2	E409	N407-E409 PolarHBondContact O-N 3.25Å
408	L	86.8	Confident	90.5	Very high	87 Å²	87	65.3 Å²	65.3	46%	0.455	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	69	8.7	-178.5	-40.6	175.6	0	0	0	115.7	E406 D454 A458 Q462	E406-L408 PolarHBondContact O-N 3.14Å; E406-L408 VanDerWaalsContact O-N 3.14Å; L408-D454 HydrophobicContact CD2-CB 4.2Å; L408-A458 HydrophobicContact CB-CB 3.95Å; L408-A458 HydrophobicContact CD2-CB 3.66Å; L408-A458 HydrophobicContact CG-CB 4.4Å; L408-Q462 PolarHBondContact O-NE2 3.05Å
409	E	90.9	Very high	90.4	Very high	120 Å²	120	64.1 Å²	64.1	56%	0.561	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.6	160.8	-179.5	-69	-65.3	166.5	0	0	112.8	I405 E406 N407 Q462	I405-E409 WeakPolarHBondContact CA-O 3.31Å; E406-E409 PolarHBondContact N-O 3.13Å; E406-E409 PolarHBondContact O-N 3.16Å; N407-E409 PolarHBondContact O-N 3.25Å; E409-Q462 PolarHBondContact OE2-NE2 3.14Å
410	L	92.8	Very high	90.3	Very high	44 Å²	44	58.9 Å²	58.9	23%	0.23	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	117.4	177.1	-70.1	170.3	0	0	0	111.6	W403 I405 L428 Q462	W403-L410 HydrophobicContact CB-CB 4.23Å; W403-L410 HydrophobicContact CB-CD2 3.68Å; W403-L410 HydrophobicContact CG-CB 4.26Å; W403-L410 HydrophobicContact CG-CD2 4.24Å; I405-L410 HydrophobicContact CD1-CD2 3.63Å; I405-L410 HydrophobicContact CD1-CG 4.44Å; L410-L428 HydrophobicContact CD2-CB 4.27Å; L410-L428 HydrophobicContact CD2-CD1 4.15Å; L410-L428 HydrophobicContact CD2-CD2 3.9Å; L410-L428 HydrophobicContact CD2-CG 4.33Å; L410-Q462 HydrophobicContact CD1-CB 4.22Å; L410-Q462 HydrophobicContact CD2-CB 4.07Å; L410-Q462 HydrophobicContact CD2-CG 4.46Å; L410-Q462 HydrophobicContact CG-CB 4.03Å; L410-Q462 HydrophobicContact CG-CG 4.12Å
411	V	94.3	Very high	90.3	Very high	50 Å²	50	57 Å²	57	30%	0.303	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	122.3	175.1	-178.4	0	0	0	0	109.8	W403 R404 E406 V413	W403-V411 CarbonylContact C-O 3.59Å; W403-V411 VanDerWaalsContact CA-O 3.3Å; W403-V411 WeakPolarHBondContact CA-O 3.26Å; R404-V411 PolarHBondContact N-O 3.01Å; R404-V411 PolarHBondContact O-N 2.81Å; E406-V411 HydrophobicContact CB-CG2 3.83Å; E406-V411 HydrophobicContact CG-CG2 4.25Å; E406-V411 WeakPolarHBondContact OE1-CB 3.29Å; E406-V411 WeakPolarHBondContact OE1-CG1 3.24Å; V411-V413 PolarHBondContact O-N 3.5Å
412	P	94.3	Very high	90.2	Very high	92 Å²	92	55 Å²	55	60%	0.597	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.3	136.4	178	-23.5	33.2	0	0	0	112.4
413	V	92.2	Very high	90	Very high	17 Å²	17	54.4 Å²	54.4	10%	0.103	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-80.7	133	175.4	178.8	0	0	0	0	109.8	V402 R404 V411 W417 Y427	V402-V413 HydrophobicContact CB-CB 4.3Å; V402-V413 HydrophobicContact CB-CG2 4.46Å; V402-V413 HydrophobicContact CG1-CB 4.07Å; V402-V413 HydrophobicContact CG1-CG2 3.79Å; V402-V413 PolarHBondContact O-N 3.38Å; R404-V413 HydrophobicContact CB-CG2 4Å; V411-V413 PolarHBondContact O-N 3.5Å; V413-W417 HydrophobicContact CG1-CB 3.83Å; V413-Y427 HydrophobicContact CG2-CD1 4.09Å; V413-Y427 HydrophobicContact CG2-CE1 4.21Å
414	D	85.9	Confident	89.7	Confident	72 Å²	72	53.3 Å²	53.3	39%	0.385	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-59.6	136.7	175.3	-177.7	-23.9	0	0	0	110.4	K416 W417 L418	D414-K416 HydrophobicContact CB-CG 4.29Å; D414-K416 PolarHBondContact O-N 2.88Å; D414-K416 PolarHBondContact OD1-N 2.86Å; D414-K416 VanDerWaalsContact OD1-N 3.08Å; D414-K416 WeakPolarHBondContact OD2-CD 3.43Å; D414-K416 WeakPolarHBondContact OD2-CE 3.49Å; D414-K416 IonicContact OD2-NZ 2.85Å; D414-K416 PolarHBondContact OD2-NZ 3.18Å; D414-W417 PolarHBondContact O-N 3.46Å; D414-L418 PolarHBondContact O-N 3.27Å
415	S	83.6	Confident	89.7	Confident	95 Å²	95	52.5 Å²	52.5	66%	0.664	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-42.8	-35.3	175.7	61.5	0	0	0	0	115	W417 L418	S415-W417 VanDerWaalsContact C-N 3.27Å; S415-W417 PolarHBondContact O-N 3.28Å; S415-L418 PolarHBondContact O-N 3.31Å
416	K	80.1	Confident	89.7	Confident	132 Å²	132	52.5 Å²	52.5	57%	0.574	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-70.4	-21.4	179.5	76.6	-166	178.1	-150.4	0	114.1	D414	D414-K416 HydrophobicContact CB-CG 4.29Å; D414-K416 PolarHBondContact O-N 2.88Å; D414-K416 PolarHBondContact OD1-N 2.86Å; D414-K416 VanDerWaalsContact OD1-N 3.08Å; D414-K416 WeakPolarHBondContact OD2-CD 3.43Å; D414-K416 WeakPolarHBondContact OD2-CE 3.49Å; D414-K416 IonicContact OD2-NZ 2.85Å; D414-K416 PolarHBondContact OD2-NZ 3.18Å
417	W	83.6	Confident	90	Very high	92 Å²	92	51 Å²	51	35%	0.348	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-105.3	6.1	-178.5	-63.4	124.9	0	0	0	112.2	V413 D414 S415 G419 H420	V413-W417 HydrophobicContact CG1-CB 3.83Å; D414-W417 PolarHBondContact O-N 3.46Å; S415-W417 VanDerWaalsContact C-N 3.27Å; S415-W417 PolarHBondContact O-N 3.28Å; W417-G419 PolarHBondContact O-N 2.88Å; W417-H420 HydrophobicContact CE3-CB 4.25Å; W417-H420 VanDerWaalsContact O-CB 3.32Å; W417-H420 WeakPolarHBondContact O-CB 3.47Å; W417-H420 PolarHBondContact O-N 3.09Å
418	L	87.6	Confident	90.6	Very high	72 Å²	72	44.2 Å²	44.2	38%	0.377	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	128	172.7	-68.1	175.3	0	0	0	110.1	V402 D414 S415	V402-L418 HydrophobicContact CB-CD2 3.77Å; V402-L418 HydrophobicContact CG2-CD2 3.61Å; D414-L418 PolarHBondContact O-N 3.27Å; S415-L418 PolarHBondContact O-N 3.31Å
419	G	87.8	Confident	91.1	Very high	3 Å²	3	40.1 Å²	40.1	3%	0.031	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.6	-3.7	-173.6	0	0	0	0	0	114.6	W417 M496 V497	W417-G419 PolarHBondContact O-N 2.88Å; G419-M496 CarbonylContact O-C 3.36Å; G419-M496 WeakPolarHBondContact O-CA 3.43Å; G419-V497 PolarHBondContact O-N 3.29Å
420	H	90.8	Very high	91.3	Very high	11 Å²	11	34.4 Å²	34.4	5%	0.051	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	121.1	176.1	-68.5	-96.5	0	0	0	111.2	W417 Y422 V497 Y499 T576	W417-H420 HydrophobicContact CE3-CB 4.25Å; W417-H420 VanDerWaalsContact O-CB 3.32Å; W417-H420 WeakPolarHBondContact O-CB 3.47Å; W417-H420 PolarHBondContact O-N 3.09Å; H420-Y422 HydrophobicContact CB-CE2 4.42Å; H420-V497 WeakPolarHBondContact CA-O 3.47Å; H420-Y499 HydrophobicContact CB-CE2 3.95Å; H420-Y499 PolarHBondContact CE1-OH 3.39Å; H420-Y499 AromaticContact ND1-CE2 3.48Å; H420-Y499 WeakPolarHBondContact ND1-CE2 3.38Å; H420-Y499 AromaticContact ND1-CZ 3.58Å; H420-Y499 PolarHBondContact ND1-OH 3.13Å; H420-T576 WeakPolarHBondContact NE2-CG2 3.34Å
421	F	93.9	Very high	91.5	Very high	3 Å²	3	32.3 Å²	32.3	1%	0.013	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	127.6	-178.3	-61.7	-90.6	0	0	0	110.3	Y427 L429 W446 F492 M496 V497 V498 Y499	F421-Y427 HydrophobicContact CB-CE2 4.42Å; F421-Y427 HydrophobicContact CD1-CD1 4.45Å; F421-Y427 AromaticContact CD1-CD2 3.79Å; F421-Y427 HydrophobicContact CD1-CD2 3.79Å; F421-Y427 HydrophobicContact CD1-CE2 4.23Å; F421-Y427 AromaticContact CD1-CG 3.93Å; F421-Y427 HydrophobicContact CD1-CG 3.93Å; F421-Y427 HydrophobicContact CE1-CG 4.26Å; F421-L429 HydrophobicContact CE1-CD1 4.11Å; F421-L429 HydrophobicContact CE1-CD2 4.02Å; F421-L429 HydrophobicContact CZ-CD2 3.79Å; F421-W446 HydrophobicContact CB-CD2 4.29Å; F421-W446 HydrophobicContact CB-CE3 4.36Å; F421-W446 HydrophobicContact CB-CH2 3.81Å; F421-W446 HydrophobicContact CB-CZ2 3.78Å; F421-W446 HydrophobicContact CB-CZ3 4.12Å; F421-W446 AromaticContact CD1-CD2 3.94Å; F421-W446 HydrophobicContact CD1-CD2 3.94Å; F421-W446 HydrophobicContact CD1-CE3 4.23Å; F421-W446 HydrophobicContact CD1-CG 4.08Å; F421-W446 HydrophobicContact CE1-CG 4.47Å; F421-W446 HydrophobicContact CG-CD2 4.38Å; F421-F492 HydrophobicContact CE2-CD2 4.32Å; F421-F492 AromaticContact CE2-CE2 3.72Å; F421-F492 HydrophobicContact CE2-CE2 3.72Å; F421-F492 AromaticContact CE2-CZ 3.9Å; F421-F492 HydrophobicContact CE2-CZ 3.9Å; F421-F492 AromaticContact CZ-CE2 3.68Å; F421-F492 HydrophobicContact CZ-CE2 3.68Å; F421-F492 AromaticContact CZ-CZ 3.6Å; F421-F492 HydrophobicContact CZ-CZ 3.6Å; F421-M496 HydrophobicContact CD2-CE 3.56Å; F421-M496 HydrophobicContact CD2-CG 4.07Å; F421-M496 HydrophobicContact CE2-CE 3.48Å; F421-M496 VanDerWaalsContact CE2-CE 3.48Å; F421-M496 HydrophobicContact CE2-CG 3.99Å; F421-M496 HydrophobicContact CE2-SD 4.45Å; F421-M496 HydrophobicContact CG-CE 4.24Å; F421-M496 HydrophobicContact CZ-CE 4.08Å; F421-V497 PolarHBondContact N-O 2.88Å; F421-V498 HydrophobicContact CB-CG2 4.45Å; F421-V498 CarbonylContact O-C 3.59Å; F421-V498 WeakPolarHBondContact O-CA 3.32Å; F421-Y499 WeakPolarHBondContact O-CD2 3.42Å; F421-Y499 PolarHBondContact O-N 2.89Å
422	Y	92.8	Very high	91.5	Very high	23 Å²	23	30.9 Å²	30.9	9%	0.09	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	130.4	-179.8	-71.3	-106	0	0	0	110.6	H420 G424 D425 Y427 W446 Y499 G501	H420-Y422 HydrophobicContact CB-CE2 4.42Å; Y422-G424 PolarHBondContact O-N 3.43Å; Y422-D425 PolarHBondContact O-N 3.47Å; Y422-Y427 PolarHBondContact N-OH 2.81Å; Y422-W446 WeakPolarHBondContact O-CZ3 3.26Å; Y422-Y499 AromaticContact CD1-CD2 3.91Å; Y422-Y499 HydrophobicContact CD1-CD2 3.91Å; Y422-Y499 HydrophobicContact CD1-CG 4.04Å; Y422-Y499 AromaticContact CD2-CD2 3.78Å; Y422-Y499 HydrophobicContact CD2-CD2 3.78Å; Y422-Y499 HydrophobicContact CD2-CE2 4.28Å; Y422-Y499 AromaticContact CE1-CD2 3.77Å; Y422-Y499 HydrophobicContact CE1-CD2 3.77Å; Y422-Y499 HydrophobicContact CE1-CE2 4.24Å; Y422-Y499 AromaticContact CE1-CG 3.94Å; Y422-Y499 HydrophobicContact CE1-CG 3.94Å; Y422-Y499 AromaticContact CE2-CD2 3.6Å; Y422-Y499 HydrophobicContact CE2-CD2 3.6Å; Y422-Y499 AromaticContact CE2-CE2 3.68Å; Y422-Y499 HydrophobicContact CE2-CE2 3.68Å; Y422-Y499 AromaticContact CG-CD2 3.93Å; Y422-Y499 HydrophobicContact CG-CD2 3.93Å; Y422-Y499 HydrophobicContact CG-CG 4.41Å; Y422-Y499 AromaticContact CZ-CD2 3.62Å; Y422-Y499 AromaticContact CZ-CE2 3.68Å; Y422-G501 WeakPolarHBondContact CD1-O 3.2Å
423	G	91.6	Very high	91.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-17.3	-178.5	0	0	0	0	0	114.8	G448 S449 Q450 A451 M481 Y499	G423-G448 CarbonylContact O-C 3.55Å; G423-G448 WeakPolarHBondContact O-CA 3.49Å; G423-S449 PolarHBondContact O-N 3.44Å; G423-Q450 CarbonylContact O-C 3.53Å; G423-Q450 WeakPolarHBondContact O-CA 3.39Å; G423-Q450 WeakPolarHBondContact O-CB 3.46Å; G423-Q450 PolarHBondContact O-N 2.96Å; G423-A451 PolarHBondContact O-N 3.13Å; G423-A451 VanDerWaalsContact O-N 3.13Å; G423-M481 VanDerWaalsContact CA-SD 3.58Å; G423-Y499 WeakPolarHBondContact CA-O 3.33Å; G423-Y499 PolarHBondContact N-O 3.49Å
424	G	91.6	Very high	91.2	Very high	15 Å²	15	31.1 Å²	31.1	16%	0.155	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	1	174.4	0	0	0	0	0	115.3	Y422 G502	Y422-G424 PolarHBondContact O-N 3.43Å; G424-G502 VanDerWaalsContact CA-O 3.26Å; G424-G502 WeakPolarHBondContact CA-O 3.47Å; G424-G502 PolarHBondContact N-O 3.43Å
425	D	93.1	Very high	90.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.155	C	C	.	.	S	Bend	trans	-122.4	162.4	-178.2	-64.7	-42.4	0	0	0	111.5	R404 Y422 Y427 G448 T503 S504 R505	R404-D425 HydrophobicContact CG-CB 4.2Å; Y422-D425 PolarHBondContact O-N 3.47Å; D425-Y427 HydrophobicContact CB-CD2 4.36Å; D425-Y427 HydrophobicContact CB-CE2 3.52Å; D425-Y427 PolarHBondContact OD2-OH 3Å; D425-G448 WeakPolarHBondContact O-CA 3.37Å; D425-G448 PolarHBondContact O-N 3.03Å; D425-G448 VanDerWaalsContact O-N 3.16Å; D425-T503 WeakPolarHBondContact OD1-CB 3.46Å; D425-T503 PolarHBondContact OD1-OG1 2.91Å; D425-T503 VanDerWaalsContact OD2-CA 3.25Å; D425-T503 WeakPolarHBondContact OD2-CA 3.47Å; D425-T503 PolarHBondContact OD2-OG1 3.23Å; D425-S504 PolarHBondContact OD2-N 3.4Å; D425-S504 PolarHBondContact OD2-OG 2.88Å; D425-R505 IonicContact OD1-CZ 2.73Å; D425-R505 IonicContact OD1-NE 3.31Å; D425-R505 PolarHBondContact OD1-NE 2.9Å; D425-R505 VanDerWaalsContact OD1-NE 3.16Å; D425-R505 IonicContact OD1-NH2 2.69Å; D425-R505 PolarHBondContact OD1-NH2 2.77Å
426	C	95.3	Very high	90.7	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	144.5	165.6	-64.5	0	0	0	0	110.7	R404 I405 W446 A451	R404-C426 WeakPolarHBondContact CA-O 3.49Å; I405-C426 HydrophobicContact CB-CB 4.32Å; I405-C426 HydrophobicContact CG1-CB 4.08Å; I405-C426 PolarHBondContact N-O 3.07Å; C426-W446 WeakPolarHBondContact CA-O 3.37Å; C426-A451 VanDerWaalsContact SG-CB 3.55Å
427	Y	96.3	Very high	90.7	Very high	1 Å²	1	29.8 Å²	29.8	0%	0.004	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	143.7	-178.2	-57.1	-100.7	0	0	0	111.3	V402 W403 R404 V413 F421 Y422 D425 W446 S504	V402-Y427 HydrophobicContact CG1-CD1 4.49Å; W403-Y427 CarbonylContact O-C 3.57Å; W403-Y427 WeakPolarHBondContact O-CA 3.27Å; W403-Y427 WeakPolarHBondContact O-CB 3.28Å; R404-Y427 HydrophobicContact CB-CD1 3.97Å; R404-Y427 HydrophobicContact CB-CE1 3.96Å; R404-Y427 HydrophobicContact CG-CD1 4.38Å; R404-Y427 HydrophobicContact CG-CE1 4.07Å; V413-Y427 HydrophobicContact CG2-CD1 4.09Å; V413-Y427 HydrophobicContact CG2-CE1 4.21Å; F421-Y427 HydrophobicContact CB-CE2 4.42Å; F421-Y427 HydrophobicContact CD1-CD1 4.45Å; F421-Y427 AromaticContact CD1-CD2 3.79Å; F421-Y427 HydrophobicContact CD1-CD2 3.79Å; F421-Y427 HydrophobicContact CD1-CE2 4.23Å; F421-Y427 AromaticContact CD1-CG 3.93Å; F421-Y427 HydrophobicContact CD1-CG 3.93Å; F421-Y427 HydrophobicContact CE1-CG 4.26Å; Y422-Y427 PolarHBondContact N-OH 2.81Å; D425-Y427 HydrophobicContact CB-CD2 4.36Å; D425-Y427 HydrophobicContact CB-CE2 3.52Å; D425-Y427 PolarHBondContact OD2-OH 3Å; Y427-W446 HydrophobicContact CD2-CD2 4.46Å; Y427-W446 AromaticContact CD2-CE3 3.59Å; Y427-W446 HydrophobicContact CD2-CE3 3.59Å; Y427-W446 AromaticContact CD2-CZ3 3.98Å; Y427-W446 HydrophobicContact CD2-CZ3 3.98Å; Y427-W446 HydrophobicContact CE2-CE3 4.08Å; Y427-W446 AromaticContact CE2-CZ3 3.98Å; Y427-W446 HydrophobicContact CE2-CZ3 3.98Å; Y427-W446 PolarHBondContact N-O 3.46Å; Y427-W446 PolarHBondContact O-N 3.02Å; Y427-S504 PolarHBondContact OH-OG 2.92Å
428	L	96.9	Very high	90.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	134.3	168.2	-81.7	71.3	0	0	0	108.9	V402 W403 I405 L410 L443 Y444 Q462 A463 L466	V402-L428 WeakPolarHBondContact CA-O 3.44Å; W403-L428 HydrophobicContact CE3-CB 4.38Å; W403-L428 PolarHBondContact N-O 3.24Å; W403-L428 PolarHBondContact O-N 3.04Å; I405-L428 HydrophobicContact CD1-CD1 3.82Å; I405-L428 HydrophobicContact CG1-CD1 4.05Å; L410-L428 HydrophobicContact CD2-CB 4.27Å; L410-L428 HydrophobicContact CD2-CD1 4.15Å; L410-L428 HydrophobicContact CD2-CD2 3.9Å; L410-L428 HydrophobicContact CD2-CG 4.33Å; L428-L443 HydrophobicContact CB-CD1 4.32Å; L428-L443 HydrophobicContact CD2-CD1 4.43Å; L428-Y444 CarbonylContact C-O 3.56Å; L428-Y444 WeakPolarHBondContact CA-O 3.42Å; L428-Q462 HydrophobicContact CD2-CB 4.17Å; L428-A463 HydrophobicContact CD2-CB 3.98Å; L428-L466 HydrophobicContact CD2-CD2 4.43Å
429	L	97	Very high	91	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	114.5	176.3	-47.4	87.6	0	0	0	109.9	V400 Q401 V402 F421 L443 Y444 W446 L488 F492	V400-L429 HydrophobicContact CG2-CB 4.31Å; Q401-L429 CarbonylContact O-C 3.57Å; Q401-L429 VanDerWaalsContact O-CA 3.29Å; Q401-L429 WeakPolarHBondContact O-CA 3.43Å; V402-L429 HydrophobicContact CG1-CD2 4.22Å; V402-L429 HydrophobicContact CG1-CG 4.12Å; V402-L429 HydrophobicContact CG2-CB 4.47Å; V402-L429 HydrophobicContact CG2-CD2 3.75Å; V402-L429 HydrophobicContact CG2-CG 4.08Å; F421-L429 HydrophobicContact CE1-CD1 4.11Å; F421-L429 HydrophobicContact CE1-CD2 4.02Å; F421-L429 HydrophobicContact CZ-CD2 3.79Å; L429-L443 CarbonylContact O-C 3.08Å; L429-L443 WeakPolarHBondContact O-CA 3.46Å; L429-Y444 PolarHBondContact N-O 2.79Å; L429-Y444 PolarHBondContact O-N 2.86Å; L429-W446 HydrophobicContact CD1-CB 4.27Å; L429-L488 HydrophobicContact CD2-CD1 4.17Å; L429-F492 HydrophobicContact CD2-CE2 4.27Å; L429-F492 HydrophobicContact CD2-CZ 3.64Å
430	L	96.9	Very high	91.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	112.9	171.5	-176	70.6	0	0	0	108.6	V400 Q401 W403 L442 L443 L466 Y470 P474	V400-L430 WeakPolarHBondContact CA-O 3.45Å; Q401-L430 PolarHBondContact N-O 2.58Å; Q401-L430 PolarHBondContact O-N 3.44Å; W403-L430 HydrophobicContact CH2-CB 3.95Å; W403-L430 HydrophobicContact CH2-CD2 4.43Å; W403-L430 HydrophobicContact CZ3-CB 3.61Å; L430-L442 WeakPolarHBondContact CA-O 3.18Å; L430-L443 HydrophobicContact CD1-CB 4.48Å; L430-L466 HydrophobicContact CB-CD2 4.37Å; L430-Y470 HydrophobicContact CD2-CD1 4.49Å; L430-Y470 HydrophobicContact CD2-CD2 4.18Å; L430-Y470 HydrophobicContact CD2-CE1 3.82Å; L430-Y470 HydrophobicContact CD2-CE2 3.47Å; L430-Y470 VanDerWaalsContact CD2-CE2 3.47Å; L430-Y470 VanDerWaalsContact CD2-OH 3.3Å; L430-Y470 WeakPolarHBondContact CD2-OH 3.15Å; L430-P474 HydrophobicContact CD1-CG 4.41Å
431	Y	96.3	Very high	91.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	126.3	176.7	-179.8	-104.8	0	0	0	110	D394 G396 S397 G398 E399 V400 Y433 Y441 L442 H487 I491	D394-Y431 PolarHBondContact OD1-OH 2.97Å; D394-Y431 PolarHBondContact OD2-OH 2.81Å; G396-Y431 WeakPolarHBondContact CA-OH 3.4Å; S397-Y431 PolarHBondContact N-OH 2.82Å; G398-Y431 WeakPolarHBondContact CA-OH 3.38Å; G398-Y431 PolarHBondContact N-OH 2.59Å; E399-Y431 CarbonylContact O-C 3.55Å; E399-Y431 WeakPolarHBondContact O-CA 3.46Å; V400-Y431 HydrophobicContact CB-CD2 4.24Å; Y431-Y433 AromaticContact CD1-CD1 3.97Å; Y431-Y433 HydrophobicContact CD1-CD1 3.97Å; Y431-Y433 HydrophobicContact CD1-CG 4.46Å; Y431-Y433 AromaticContact CE1-CD1 3.99Å; Y431-Y433 HydrophobicContact CE1-CD1 3.99Å; Y431-Y433 HydrophobicContact CE1-CG 4.03Å; Y431-Y441 CarbonylContact O-C 3.14Å; Y431-Y441 WeakPolarHBondContact O-CA 3.22Å; Y431-L442 HydrophobicContact CD1-CD1 4.27Å; Y431-L442 HydrophobicContact CD1-CG 4.42Å; Y431-L442 PolarHBondContact N-O 3.04Å; Y431-L442 PolarHBondContact O-N 3.45Å; Y431-H487 AromaticContact CD1-CE1 3.56Å; Y431-H487 AromaticContact CE1-CE1 3.42Å; Y431-H487 VanDerWaalsContact CE1-CE1 3.42Å; Y431-H487 WeakPolarHBondContact CE1-CE1 3.35Å; Y431-H487 AromaticContact CE1-NE2 3.5Å; Y431-I491 HydrophobicContact CD2-CD1 3.8Å; Y431-I491 HydrophobicContact CD2-CG1 3.94Å; Y431-I491 HydrophobicContact CE2-CD1 4.3Å; Y431-I491 HydrophobicContact CE2-CG1 3.94Å; Y431-I491 HydrophobicContact CG-CD1 4.02Å
432	T	95	Very high	91.5	Very high	20 Å²	20	34.2 Å²	34.2	12%	0.123	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	124.1	179.1	-53.5	0	0	0	0	109.5	G398 E399 Q439 H440 Y441	G398-T432 WeakPolarHBondContact CA-O 3.42Å; E399-T432 PolarHBondContact N-O 3.31Å; E399-T432 PolarHBondContact O-N 2.82Å; T432-Q439 HydrophobicContact CG2-CB 4.44Å; T432-Q439 HydrophobicContact CG2-CG 4.38Å; T432-H440 WeakPolarHBondContact CA-O 3.47Å; T432-Y441 HydrophobicContact CG2-CD1 3.89Å; T432-Y441 HydrophobicContact CG2-CE1 3.62Å; T432-Y441 WeakPolarHBondContact OG1-CD1 3.48Å
433	Y	91.8	Very high	91.7	Very high	7 Å²	7	33.1 Å²	33.1	3%	0.027	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	164.9	178.4	69.1	-72	0	0	0	111.3	V393 D394 Y431 I435 H440 L442	V393-Y433 HydrophobicContact CB-CE2 4.08Å; V393-Y433 HydrophobicContact CG2-CD2 4.37Å; V393-Y433 HydrophobicContact CG2-CE1 4.32Å; V393-Y433 HydrophobicContact CG2-CE2 4.08Å; D394-Y433 VanDerWaalsContact OD2-CB 3.26Å; D394-Y433 WeakPolarHBondContact OD2-CB 3.34Å; Y431-Y433 AromaticContact CD1-CD1 3.97Å; Y431-Y433 HydrophobicContact CD1-CD1 3.97Å; Y431-Y433 HydrophobicContact CD1-CG 4.46Å; Y431-Y433 AromaticContact CE1-CD1 3.99Å; Y431-Y433 HydrophobicContact CE1-CD1 3.99Å; Y431-Y433 HydrophobicContact CE1-CG 4.03Å; Y433-I435 HydrophobicContact CD2-CG1 4.17Å; Y433-I435 HydrophobicContact CE2-CD1 3.76Å; Y433-I435 HydrophobicContact CE2-CG1 3.8Å; Y433-H440 HydrophobicContact CD1-CB 3.94Å; Y433-H440 VanDerWaalsContact CD1-O 3.29Å; Y433-H440 WeakPolarHBondContact CD1-O 3.44Å; Y433-H440 HydrophobicContact CD2-CB 4.37Å; Y433-H440 HydrophobicContact CE1-CB 3.41Å; Y433-H440 VanDerWaalsContact CE1-CB 3.41Å; Y433-H440 HydrophobicContact CE2-CB 3.93Å; Y433-H440 HydrophobicContact CG-CB 4.38Å; Y433-H440 VanDerWaalsContact CZ-CB 3.4Å; Y433-H440 PolarHBondContact N-O 2.83Å; Y433-H440 PolarHBondContact O-N 2.85Å; Y433-L442 HydrophobicContact CD1-CG 4.39Å; Y433-L442 HydrophobicContact CE1-CD2 4.04Å; Y433-L442 HydrophobicContact CE1-CG 3.84Å
434	L	86.8	Confident	92	Very high	108 Å²	108	33.4 Å²	33.4	57%	0.565	18%	0.183	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-114.2	130.8	-175.7	-68.2	169.6	0	0	0	110.3	Q439	L434-Q439 HydrophobicContact CD2-CB 4.47Å; L434-Q439 HydrophobicContact CD2-CG 3.63Å
435	I	80.8	Confident	92.2	Very high	44 Å²	44	33.3 Å²	33.3	23%	0.226	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	109.4	164	-61.6	176.5	0	0	0	106.8	H381 Y433 N437 K438 P705	H381-I435 HydrophobicContact CB-CB 4.49Å; H381-I435 HydrophobicContact CB-CD1 4.31Å; H381-I435 HydrophobicContact CB-CG1 4.03Å; H381-I435 HydrophobicContact CB-CG2 3.86Å; Y433-I435 HydrophobicContact CD2-CG1 4.17Å; Y433-I435 HydrophobicContact CE2-CD1 3.76Å; Y433-I435 HydrophobicContact CE2-CG1 3.8Å; I435-N437 PolarHBondContact O-N 2.75Å; I435-N437 VanDerWaalsContact O-N 3.12Å; I435-K438 PolarHBondContact N-O 2.73Å; I435-K438 VanDerWaalsContact N-O 3.08Å; I435-K438 PolarHBondContact O-N 2.68Å; I435-K438 VanDerWaalsContact O-N 3.12Å; I435-P705 HydrophobicContact CD1-CG 4.01Å
436	G	79.4	Confident	92.3	Very high	57 Å²	57	33.3 Å²	33.3	59%	0.588	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.5	-113.4	-167.2	0	0	0	0	0	110.6
437	N	79.1	Confident	92.3	Very high	170 Å²	170	34 Å²	34	91%	0.909	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.5	3.7	177.3	-71.5	-9	0	0	0	113.7	I435	I435-N437 PolarHBondContact O-N 2.75Å; I435-N437 VanDerWaalsContact O-N 3.12Å
438	K	86.4	Confident	92.1	Very high	106 Å²	106	34.2 Å²	34.2	46%	0.461	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	134.7	179.8	-170	178	176.6	-175.3	0	109.8	I435 H440	I435-K438 PolarHBondContact N-O 2.73Å; I435-K438 VanDerWaalsContact N-O 3.08Å; I435-K438 PolarHBondContact O-N 2.68Å; I435-K438 VanDerWaalsContact O-N 3.12Å; K438-H440 PolarHBondContact O-CD2 2.79Å
439	Q	91.3	Very high	91.8	Very high	103 Å²	103	38.2 Å²	38.2	48%	0.481	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	138.8	172.1	-72.2	-176.3	-15.1	0	0	110.4	T432 L434 Y441	T432-Q439 HydrophobicContact CG2-CB 4.44Å; T432-Q439 HydrophobicContact CG2-CG 4.38Å; L434-Q439 HydrophobicContact CD2-CB 4.47Å; L434-Q439 HydrophobicContact CD2-CG 3.63Å; Q439-Y441 HydrophobicContact CB-CE1 4.48Å; Q439-Y441 HydrophobicContact CB-CE2 4.49Å; Q439-Y441 PolarHBondContact OE1-OH 2.85Å
440	H	91.8	Very high	91.5	Very high	30 Å²	30	43.7 Å²	43.7	14%	0.139	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	150	173.8	-68.9	-97.4	0	0	0	109.1	T432 Y433 K438	T432-H440 WeakPolarHBondContact CA-O 3.47Å; Y433-H440 HydrophobicContact CD1-CB 3.94Å; Y433-H440 VanDerWaalsContact CD1-O 3.29Å; Y433-H440 WeakPolarHBondContact CD1-O 3.44Å; Y433-H440 HydrophobicContact CD2-CB 4.37Å; Y433-H440 HydrophobicContact CE1-CB 3.41Å; Y433-H440 VanDerWaalsContact CE1-CB 3.41Å; Y433-H440 HydrophobicContact CE2-CB 3.93Å; Y433-H440 HydrophobicContact CG-CB 4.38Å; Y433-H440 VanDerWaalsContact CZ-CB 3.4Å; Y433-H440 PolarHBondContact N-O 2.83Å; Y433-H440 PolarHBondContact O-N 2.85Å; K438-H440 PolarHBondContact O-CD2 2.79Å
441	Y	95.6	Very high	91.2	Very high	32 Å²	32	44.3 Å²	44.3	13%	0.125	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	134.2	-172.2	-50.4	-79	0	0	0	111	Y431 T432 Q439 Y470 E473 P474 V475	Y431-Y441 CarbonylContact O-C 3.14Å; Y431-Y441 WeakPolarHBondContact O-CA 3.22Å; T432-Y441 HydrophobicContact CG2-CD1 3.89Å; T432-Y441 HydrophobicContact CG2-CE1 3.62Å; T432-Y441 WeakPolarHBondContact OG1-CD1 3.48Å; Q439-Y441 HydrophobicContact CB-CE1 4.48Å; Q439-Y441 HydrophobicContact CB-CE2 4.49Å; Q439-Y441 PolarHBondContact OE1-OH 2.85Å; Y441-Y470 HydrophobicContact CD1-CD1 4.17Å; Y441-Y470 HydrophobicContact CD1-CE1 4.36Å; Y441-Y470 HydrophobicContact CD2-CD1 4.5Å; Y441-Y470 AromaticContact CE1-CD1 3.94Å; Y441-Y470 HydrophobicContact CE1-CD1 3.94Å; Y441-Y470 HydrophobicContact CE1-CE1 4.02Å; Y441-Y470 HydrophobicContact CE2-CD1 4.28Å; Y441-Y470 HydrophobicContact CG-CD1 4.45Å; Y441-E473 HydrophobicContact CD2-CB 4.16Å; Y441-P474 WeakPolarHBondContact O-CA 3.13Å; Y441-V475 PolarHBondContact O-N 2.82Å
442	L	96.3	Very high	90.9	Very high	3 Å²	3	46.5 Å²	46.5	2%	0.016	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	133.3	165	-55	-176.5	0	0	0	108.8	V393 L430 Y431 Y433 Y444 V475 I477	V393-L442 HydrophobicContact CG1-CD1 4.46Å; V393-L442 HydrophobicContact CG2-CD1 3.73Å; L430-L442 WeakPolarHBondContact CA-O 3.18Å; Y431-L442 HydrophobicContact CD1-CD1 4.27Å; Y431-L442 HydrophobicContact CD1-CG 4.42Å; Y431-L442 PolarHBondContact N-O 3.04Å; Y431-L442 PolarHBondContact O-N 3.45Å; Y433-L442 HydrophobicContact CD1-CG 4.39Å; Y433-L442 HydrophobicContact CE1-CD2 4.04Å; Y433-L442 HydrophobicContact CE1-CG 3.84Å; L442-Y444 HydrophobicContact CB-CD2 4.5Å; L442-Y444 HydrophobicContact CB-CE2 4Å; L442-Y444 HydrophobicContact CD1-CE2 4.07Å; L442-V475 HydrophobicContact CD2-CB 3.74Å; L442-V475 HydrophobicContact CD2-CG1 4.27Å; L442-V475 HydrophobicContact CD2-CG2 4.18Å; L442-I477 HydrophobicContact CB-CD1 4.14Å; L442-I477 HydrophobicContact CD1-CD1 4.18Å; L442-I477 HydrophobicContact CD2-CD1 4.33Å; L442-I477 HydrophobicContact CG-CD1 4.47Å
443	L	97.3	Very high	90.7	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	100.3	175.3	178.5	54.5	0	0	0	109.8	L428 L429 L430 A463 L466 P474 V475 Q476 I477	L428-L443 HydrophobicContact CB-CD1 4.32Å; L428-L443 HydrophobicContact CD2-CD1 4.43Å; L429-L443 CarbonylContact O-C 3.08Å; L429-L443 WeakPolarHBondContact O-CA 3.46Å; L430-L443 HydrophobicContact CD1-CB 4.48Å; L443-A463 HydrophobicContact CD2-CB 4.02Å; L443-A463 WeakPolarHBondContact CD2-O 3.18Å; L443-L466 HydrophobicContact CD1-CD2 3.7Å; L443-L466 HydrophobicContact CD2-CB 4.29Å; L443-L466 HydrophobicContact CD2-CD2 4.25Å; L443-P474 HydrophobicContact CB-CB 4.04Å; L443-V475 PolarHBondContact N-O 2.81Å; L443-Q476 HydrophobicContact CD2-CG 4.43Å; L443-Q476 CarbonylContact O-C 3.56Å; L443-Q476 WeakPolarHBondContact O-CA 3.37Å; L443-I477 PolarHBondContact O-N 3.29Å
444	Y	96.9	Very high	90.7	Very high	5 Å²	5	56 Å²	56	2%	0.02	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	131.2	173.8	-67.5	-83.7	0	0	0	110.7	L428 L429 L442 I477 V479 P485 H487 L488 I491	L428-Y444 CarbonylContact C-O 3.56Å; L428-Y444 WeakPolarHBondContact CA-O 3.42Å; L429-Y444 PolarHBondContact N-O 2.79Å; L429-Y444 PolarHBondContact O-N 2.86Å; L442-Y444 HydrophobicContact CB-CD2 4.5Å; L442-Y444 HydrophobicContact CB-CE2 4Å; L442-Y444 HydrophobicContact CD1-CE2 4.07Å; Y444-I477 WeakPolarHBondContact CA-O 3.04Å; Y444-I477 HydrophobicContact CD1-CB 3.74Å; Y444-I477 HydrophobicContact CD1-CD1 3.93Å; Y444-I477 HydrophobicContact CD1-CG1 4.45Å; Y444-I477 HydrophobicContact CD1-CG2 3.72Å; Y444-I477 HydrophobicContact CE1-CB 3.95Å; Y444-I477 HydrophobicContact CE1-CD1 3.4Å; Y444-I477 HydrophobicContact CE1-CG1 4.27Å; Y444-I477 HydrophobicContact CE1-CG2 3.73Å; Y444-I477 HydrophobicContact CE2-CD1 4.15Å; Y444-I477 HydrophobicContact CG-CB 4.48Å; Y444-I477 VanDerWaalsContact CZ-CD1 3.5Å; Y444-V479 HydrophobicContact CD1-CG2 3.79Å; Y444-V479 HydrophobicContact CE1-CG2 4.48Å; Y444-P485 HydrophobicContact CE1-CG 3.84Å; Y444-H487 AromaticContact CE2-ND1 3.95Å; Y444-H487 AromaticContact CZ-ND1 3.71Å; Y444-H487 PolarHBondContact OH-ND1 3.43Å; Y444-L488 HydrophobicContact CD1-CB 4.25Å; Y444-L488 HydrophobicContact CD1-CD1 4.14Å; Y444-L488 HydrophobicContact CD1-CD2 4.24Å; Y444-L488 HydrophobicContact CD1-CG 4.45Å; Y444-L488 HydrophobicContact CD2-CD1 4.04Å; Y444-L488 HydrophobicContact CE1-CB 3.89Å; Y444-L488 HydrophobicContact CE1-CD1 4.46Å; Y444-L488 HydrophobicContact CE2-CD1 4.39Å; Y444-L488 HydrophobicContact CG-CD1 3.92Å; Y444-I491 HydrophobicContact CD2-CD1 4.47Å; Y444-I491 HydrophobicContact CE2-CD1 3.99Å
445	I	96.3	Very high	90.8	Very high	13 Å²	13	51.3 Å²	51.3	7%	0.067	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	90.9	174.3	-49.1	168.6	0	0	0	106.5	Q447 A463 I477 V479	I445-Q447 HydrophobicContact CG2-CG 4.38Å; I445-A463 HydrophobicContact CD1-CB 3.42Å; I445-A463 VanDerWaalsContact CD1-CB 3.42Å; I445-A463 HydrophobicContact CG1-CB 3.81Å; I445-I477 PolarHBondContact N-O 2.68Å; I445-V479 PolarHBondContact O-N 2.88Å
446	W	95.9	Very high	91.3	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	125.9	-179	-169.7	95.5	0	0	0	110.1	F421 Y422 C426 Y427 L429 V479 M481 E484 V498	F421-W446 HydrophobicContact CB-CD2 4.29Å; F421-W446 HydrophobicContact CB-CE3 4.36Å; F421-W446 HydrophobicContact CB-CH2 3.81Å; F421-W446 HydrophobicContact CB-CZ2 3.78Å; F421-W446 HydrophobicContact CB-CZ3 4.12Å; F421-W446 AromaticContact CD1-CD2 3.94Å; F421-W446 HydrophobicContact CD1-CD2 3.94Å; F421-W446 HydrophobicContact CD1-CE3 4.23Å; F421-W446 HydrophobicContact CD1-CG 4.08Å; F421-W446 HydrophobicContact CE1-CG 4.47Å; F421-W446 HydrophobicContact CG-CD2 4.38Å; Y422-W446 WeakPolarHBondContact O-CZ3 3.26Å; C426-W446 WeakPolarHBondContact CA-O 3.37Å; Y427-W446 HydrophobicContact CD2-CD2 4.46Å; Y427-W446 AromaticContact CD2-CE3 3.59Å; Y427-W446 HydrophobicContact CD2-CE3 3.59Å; Y427-W446 AromaticContact CD2-CZ3 3.98Å; Y427-W446 HydrophobicContact CD2-CZ3 3.98Å; Y427-W446 HydrophobicContact CE2-CE3 4.08Å; Y427-W446 AromaticContact CE2-CZ3 3.98Å; Y427-W446 HydrophobicContact CE2-CZ3 3.98Å; Y427-W446 PolarHBondContact N-O 3.46Å; Y427-W446 PolarHBondContact O-N 3.02Å; L429-W446 HydrophobicContact CD1-CB 4.27Å; W446-V479 WeakPolarHBondContact CA-O 3.46Å; W446-M481 HydrophobicContact CH2-CB 4.04Å; W446-M481 HydrophobicContact CH2-CG 4.07Å; W446-M481 HydrophobicContact CH2-SD 4.02Å; W446-M481 HydrophobicContact CZ2-CB 3.74Å; W446-M481 HydrophobicContact CZ2-CG 3.78Å; W446-M481 HydrophobicContact CZ2-SD 4.33Å; W446-E484 PolarHBondContact NE1-OE1 3.28Å; W446-V498 HydrophobicContact CH2-CG1 4.19Å; W446-V498 HydrophobicContact CZ2-CG1 3.72Å; W446-V498 HydrophobicContact CZ2-CG2 4.47Å
447	Q	94.2	Very high	91.7	Very high	15 Å²	15	52.2 Å²	52.2	7%	0.07	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	115.9	-174	-65.7	-179.8	-24.7	0	0	110.6	I445 S459 V479 M481	I445-Q447 HydrophobicContact CG2-CG 4.38Å; Q447-S459 PolarHBondContact NE2-OG 3.44Å; Q447-V479 PolarHBondContact N-O 2.95Å; Q447-M481 WeakPolarHBondContact O-CB 3.37Å; Q447-M481 PolarHBondContact O-N 2.86Å
448	G	93.3	Very high	92.3	Very high	5 Å²	5	44.5 Å²	44.5	5%	0.052	23%	0.234	C	C	.	.			trans	-68	142.5	176.6	0	0	0	0	0	112.5	G423 D425 Q450 A451	G423-G448 CarbonylContact O-C 3.55Å; G423-G448 WeakPolarHBondContact O-CA 3.49Å; D425-G448 WeakPolarHBondContact O-CA 3.37Å; D425-G448 PolarHBondContact O-N 3.03Å; D425-G448 VanDerWaalsContact O-N 3.16Å; G448-Q450 PolarHBondContact O-N 3.42Å; G448-A451 WeakPolarHBondContact O-CB 3.02Å; G448-A451 PolarHBondContact O-N 3.41Å
449	S	90.8	Very high	92.6	Very high	85 Å²	85	39.5 Å²	39.5	59%	0.594	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-17.3	-179.1	63.3	0	0	0	0	114.7	G423 M481	G423-S449 PolarHBondContact O-N 3.44Å; S449-M481 PolarHBondContact N-SD 3.31Å; S449-M481 PolarHBondContact OG-SD 3.34Å
450	Q	90.4	Very high	92.5	Very high	115 Å²	115	36.9 Å²	36.9	54%	0.537	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.4	7.6	177.7	-58.4	-175.5	-8.1	0	0	112.3	G423 G448	G423-Q450 CarbonylContact O-C 3.53Å; G423-Q450 WeakPolarHBondContact O-CA 3.39Å; G423-Q450 WeakPolarHBondContact O-CB 3.46Å; G423-Q450 PolarHBondContact O-N 2.96Å; G448-Q450 PolarHBondContact O-N 3.42Å
451	A	90.8	Very high	92.4	Very high	12 Å²	12	42.9 Å²	42.9	10%	0.099	23%	0.231	C	C	.	.			trans	-66.3	145.2	176	0	0	0	0	0	110.1	G423 C426 G448 I456	G423-A451 PolarHBondContact O-N 3.13Å; G423-A451 VanDerWaalsContact O-N 3.13Å; C426-A451 VanDerWaalsContact SG-CB 3.55Å; G448-A451 WeakPolarHBondContact O-CB 3.02Å; G448-A451 PolarHBondContact O-N 3.41Å; A451-I456 HydrophobicContact CB-CD1 4.45Å; A451-I456 HydrophobicContact CB-CG1 4.11Å
452	S	89.9	Confident	92.3	Very high	46 Å²	46	42 Å²	42	32%	0.322	23%	0.228	S	C	.	.			trans	-73.4	153	-178.9	64.6	0	0	0	0	111.4	D454 E455 I456	S452-D454 VanDerWaalsContact C-N 3.25Å; S452-D454 WeakPolarHBondContact CB-OD1 3.44Å; S452-D454 PolarHBondContact O-N 3.26Å; S452-D454 PolarHBondContact OG-OD1 3.07Å; S452-E455 PolarHBondContact O-N 2.82Å; S452-E455 WeakPolarHBondContact OG-CG 3.47Å; S452-I456 WeakPolarHBondContact O-CG1 3.48Å; S452-I456 PolarHBondContact O-N 3.49Å
453	Q	89.5	Confident	92.2	Very high	136 Å²	136	41.9 Å²	41.9	64%	0.636	23%	0.227	S	C	*	.	H	α-helix	trans	-62.5	-33.4	-174.4	-173.1	60.4	49	0	0	112.8	T457	Q453-T457 WeakPolarHBondContact O-CB 3.28Å; Q453-T457 PolarHBondContact O-N 3.05Å; Q453-T457 PolarHBondContact O-OG1 2.87Å
454	D	91.3	Very high	91.9	Very high	90 Å²	90	44.8 Å²	44.8	48%	0.481	25%	0.245	S	C	.	.	H	α-helix	trans	-65.5	-39.3	173.9	59.3	-48.8	0	0	0	111.9	L408 S452 T457 A458	L408-D454 HydrophobicContact CD2-CB 4.2Å; S452-D454 VanDerWaalsContact C-N 3.25Å; S452-D454 WeakPolarHBondContact CB-OD1 3.44Å; S452-D454 PolarHBondContact O-N 3.26Å; S452-D454 PolarHBondContact OG-OD1 3.07Å; D454-T457 PolarHBondContact O-N 2.93Å; D454-A458 WeakPolarHBondContact O-CB 3.43Å; D454-A458 PolarHBondContact O-N 2.74Å
455	E	90.2	Very high	91.7	Very high	11 Å²	11	47.8 Å²	47.8	5%	0.051	26%	0.261	C	S	.	.	H	α-helix	trans	-71.3	-39.4	175.5	-71.7	-176.1	170.4	0	0	112.8	I405 S452 T457 A458 S459 R505	I405-E455 HydrophobicContact CG2-CB 4.34Å; I405-E455 HydrophobicContact CG2-CG 4.29Å; S452-E455 PolarHBondContact O-N 2.82Å; S452-E455 WeakPolarHBondContact OG-CG 3.47Å; E455-T457 VanDerWaalsContact C-N 3.27Å; E455-T457 PolarHBondContact O-N 2.75Å; E455-A458 PolarHBondContact O-N 3.05Å; E455-S459 WeakPolarHBondContact O-CB 3.34Å; E455-S459 PolarHBondContact O-N 2.72Å; E455-R505 IonicContact OE1-CZ 2.97Å; E455-R505 IonicContact OE1-NH1 2.92Å; E455-R505 PolarHBondContact OE1-NH1 3.12Å; E455-R505 IonicContact OE1-NH2 3.88Å; E455-R505 PolarHBondContact OE1-NH2 3.14Å; E455-R505 IonicContact OE2-CZ 3.9Å; E455-R505 IonicContact OE2-NH2 3.73Å; E455-R505 PolarHBondContact OE2-NH2 2.78Å
456	I	90	Very high	91.6	Very high	35 Å²	35	47.6 Å²	47.6	18%	0.179	26%	0.26	C	S	.	.	H	α-helix	trans	-58.5	-45	171.8	-67.9	171	0	0	0	109.5	A451 S452 S459 A460	A451-I456 HydrophobicContact CB-CD1 4.45Å; A451-I456 HydrophobicContact CB-CG1 4.11Å; S452-I456 WeakPolarHBondContact O-CG1 3.48Å; S452-I456 PolarHBondContact O-N 3.49Å; I456-S459 PolarHBondContact O-N 2.79Å; I456-S459 PolarHBondContact O-OG 2.85Å; I456-A460 PolarHBondContact O-N 2.63Å
457	T	88.8	Confident	91.5	Very high	84 Å²	84	48.2 Å²	48.2	52%	0.515	26%	0.263	S	S	.	.	H	α-helix	trans	-65.9	-43.7	178.3	-54	0	0	0	0	111.4	Q453 D454 E455 S459 A460 Y461	Q453-T457 WeakPolarHBondContact O-CB 3.28Å; Q453-T457 PolarHBondContact O-N 3.05Å; Q453-T457 PolarHBondContact O-OG1 2.87Å; D454-T457 PolarHBondContact O-N 2.93Å; E455-T457 VanDerWaalsContact C-N 3.27Å; E455-T457 PolarHBondContact O-N 2.75Å; T457-S459 VanDerWaalsContact C-N 3.33Å; T457-S459 PolarHBondContact O-N 3.05Å; T457-A460 PolarHBondContact O-N 3.28Å; T457-Y461 PolarHBondContact O-N 2.94Å; T457-Y461 VanDerWaalsContact O-N 3.09Å
458	A	91.7	Very high	91.4	Very high	9 Å²	9	53.6 Å²	53.6	7%	0.074	29%	0.288	C	S	.	.	H	α-helix	trans	-63.6	-37.4	176.1	0	0	0	0	0	112.3	I405 L408 D454 E455 A460 Y461 Q462	I405-A458 HydrophobicContact CG2-CB 3.95Å; L408-A458 HydrophobicContact CB-CB 3.95Å; L408-A458 HydrophobicContact CD2-CB 3.66Å; L408-A458 HydrophobicContact CG-CB 4.4Å; D454-A458 WeakPolarHBondContact O-CB 3.43Å; D454-A458 PolarHBondContact O-N 2.74Å; E455-A458 PolarHBondContact O-N 3.05Å; A458-A460 VanDerWaalsContact C-N 3.3Å; A458-A460 PolarHBondContact O-N 3.47Å; A458-Y461 PolarHBondContact O-N 3.28Å; A458-Q462 WeakPolarHBondContact O-CB 3.44Å; A458-Q462 VanDerWaalsContact O-CG 3.25Å; A458-Q462 WeakPolarHBondContact O-CG 3.5Å; A458-Q462 PolarHBondContact O-N 3.18Å
459	S	93.3	Very high	91.5	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-59.8	-41	176.8	77	0	0	0	0	112.1	Q447 E455 I456 T457 A463	Q447-S459 PolarHBondContact NE2-OG 3.44Å; E455-S459 WeakPolarHBondContact O-CB 3.34Å; E455-S459 PolarHBondContact O-N 2.72Å; I456-S459 PolarHBondContact O-N 2.79Å; I456-S459 PolarHBondContact O-OG 2.85Å; T457-S459 VanDerWaalsContact C-N 3.33Å; T457-S459 PolarHBondContact O-N 3.05Å; S459-A463 VanDerWaalsContact O-CB 3.3Å; S459-A463 WeakPolarHBondContact O-CB 3.45Å; S459-A463 PolarHBondContact O-N 3.37Å
460	A	87.5	Confident	91.6	Very high	48 Å²	48	59 Å²	59	40%	0.397	30%	0.298	S	S	.	.	H	α-helix	trans	-68.4	-42.8	176.2	0	0	0	0	0	111.6	I456 T457 A458 A463 V464	I456-A460 PolarHBondContact O-N 2.63Å; T457-A460 PolarHBondContact O-N 3.28Å; A458-A460 VanDerWaalsContact C-N 3.3Å; A458-A460 PolarHBondContact O-N 3.47Å; A460-A463 PolarHBondContact O-N 3.41Å; A460-V464 PolarHBondContact O-N 3.12Å
461	Y	89.9	Confident	91.6	Very high	157 Å²	157	60 Å²	60	62%	0.616	31%	0.308	S	S	*	.	H	α-helix	trans	-64.1	-46	177.6	-177.1	-103.7	0	0	0	112.4	T457 A458 A463 V464 I465	T457-Y461 PolarHBondContact O-N 2.94Å; T457-Y461 VanDerWaalsContact O-N 3.09Å; A458-Y461 PolarHBondContact O-N 3.28Å; Y461-A463 VanDerWaalsContact C-N 3.28Å; Y461-A463 PolarHBondContact O-N 2.84Å; Y461-V464 WeakPolarHBondContact O-CB 3.39Å; Y461-V464 PolarHBondContact O-N 3.09Å; Y461-I465 HydrophobicContact CD1-CD1 3.78Å; Y461-I465 HydrophobicContact CE1-CD1 3.33Å; Y461-I465 HydrophobicContact CE1-CG1 4.28Å; Y461-I465 PolarHBondContact O-N 3.27Å; Y461-I465 VanDerWaalsContact O-N 3.15Å
462	Q	94.7	Very high	91.5	Very high	13 Å²	13	60.1 Å²	60.1	6%	0.061	31%	0.31	C	S	.	.	H	α-helix	trans	-64.9	-32.9	176.9	-69.3	-67.3	-10.4	0	0	111.9	I405 L408 E409 L410 L428 A458 V464 I465 L466	I405-Q462 HydrophobicContact CD1-CB 4.06Å; I405-Q462 HydrophobicContact CD1-CG 3.92Å; L408-Q462 PolarHBondContact O-NE2 3.05Å; E409-Q462 PolarHBondContact OE2-NE2 3.14Å; L410-Q462 HydrophobicContact CD1-CB 4.22Å; L410-Q462 HydrophobicContact CD2-CB 4.07Å; L410-Q462 HydrophobicContact CD2-CG 4.46Å; L410-Q462 HydrophobicContact CG-CB 4.03Å; L410-Q462 HydrophobicContact CG-CG 4.12Å; L428-Q462 HydrophobicContact CD2-CB 4.17Å; A458-Q462 WeakPolarHBondContact O-CB 3.44Å; A458-Q462 VanDerWaalsContact O-CG 3.25Å; A458-Q462 WeakPolarHBondContact O-CG 3.5Å; A458-Q462 PolarHBondContact O-N 3.18Å; Q462-V464 VanDerWaalsContact C-N 3.33Å; Q462-V464 PolarHBondContact O-N 2.91Å; Q462-I465 PolarHBondContact O-N 3.02Å; Q462-L466 WeakPolarHBondContact O-CB 3.38Å; Q462-L466 PolarHBondContact O-N 3.44Å
463	A	93.6	Very high	91.7	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-64	-39	174.6	0	0	0	0	0	111.9	L428 L443 I445 S459 A460 Y461 L466 D467	L428-A463 HydrophobicContact CD2-CB 3.98Å; L443-A463 HydrophobicContact CD2-CB 4.02Å; L443-A463 WeakPolarHBondContact CD2-O 3.18Å; I445-A463 HydrophobicContact CD1-CB 3.42Å; I445-A463 VanDerWaalsContact CD1-CB 3.42Å; I445-A463 HydrophobicContact CG1-CB 3.81Å; S459-A463 VanDerWaalsContact O-CB 3.3Å; S459-A463 WeakPolarHBondContact O-CB 3.45Å; S459-A463 PolarHBondContact O-N 3.37Å; A460-A463 PolarHBondContact O-N 3.41Å; Y461-A463 VanDerWaalsContact C-N 3.28Å; Y461-A463 PolarHBondContact O-N 2.84Å; A463-L466 PolarHBondContact O-N 3.34Å; A463-D467 WeakPolarHBondContact O-CB 3.35Å; A463-D467 PolarHBondContact O-N 2.88Å
464	V	91.6	Very high	91.9	Very high	62 Å²	62	53.6 Å²	53.6	38%	0.376	27%	0.274	S	S	.	.	H	α-helix	trans	-64.5	-42.3	174.2	174.9	0	0	0	0	111.5	A460 Y461 Q462 D467 Q468	A460-V464 PolarHBondContact O-N 3.12Å; Y461-V464 WeakPolarHBondContact O-CB 3.39Å; Y461-V464 PolarHBondContact O-N 3.09Å; Q462-V464 VanDerWaalsContact C-N 3.33Å; Q462-V464 PolarHBondContact O-N 2.91Å; V464-D467 PolarHBondContact O-N 2.94Å; V464-Q468 HydrophobicContact CG1-CG 4.5Å; V464-Q468 WeakPolarHBondContact O-CB 3.3Å; V464-Q468 VanDerWaalsContact O-CG 3.28Å; V464-Q468 WeakPolarHBondContact O-CG 3.24Å; V464-Q468 PolarHBondContact O-N 3.31Å
465	I	93	Very high	92.1	Very high	68 Å²	68	49.5 Å²	49.5	35%	0.349	25%	0.253	S	S	.	.	H	α-helix	trans	-61.8	-46.1	176.7	-67.8	170.9	0	0	0	110.7	Y461 Q462 Q468 K469	Y461-I465 HydrophobicContact CD1-CD1 3.78Å; Y461-I465 HydrophobicContact CE1-CD1 3.33Å; Y461-I465 HydrophobicContact CE1-CG1 4.28Å; Y461-I465 PolarHBondContact O-N 3.27Å; Y461-I465 VanDerWaalsContact O-N 3.15Å; Q462-I465 PolarHBondContact O-N 3.02Å; I465-Q468 PolarHBondContact O-N 2.96Å; I465-K469 PolarHBondContact O-N 3.25Å
466	L	94.3	Very high	92.4	Very high	9 Å²	9	50.3 Å²	50.3	5%	0.047	26%	0.257	C	S	.	.	H	α-helix	trans	-65.6	-42.4	179.6	-168.6	62.5	0	0	0	110.8	W403 L428 L430 L443 Q462 A463 Q468 K469 Y470	W403-L466 HydrophobicContact CE3-CD2 4.34Å; W403-L466 HydrophobicContact CH2-CD2 4.3Å; W403-L466 HydrophobicContact CZ3-CD2 3.85Å; L428-L466 HydrophobicContact CD2-CD2 4.43Å; L430-L466 HydrophobicContact CB-CD2 4.37Å; L443-L466 HydrophobicContact CD1-CD2 3.7Å; L443-L466 HydrophobicContact CD2-CB 4.29Å; L443-L466 HydrophobicContact CD2-CD2 4.25Å; Q462-L466 WeakPolarHBondContact O-CB 3.38Å; Q462-L466 PolarHBondContact O-N 3.44Å; A463-L466 PolarHBondContact O-N 3.34Å; L466-Q468 PolarHBondContact O-N 3.26Å; L466-K469 HydrophobicContact CD1-CD 4.36Å; L466-K469 WeakPolarHBondContact O-CB 3.49Å; L466-K469 PolarHBondContact O-N 2.98Å; L466-Y470 HydrophobicContact CD1-CD2 4.28Å; L466-Y470 HydrophobicContact CD1-CE2 3.85Å; L466-Y470 HydrophobicContact CG-CE2 4.42Å; L466-Y470 VanDerWaalsContact O-CD2 3.32Å; L466-Y470 WeakPolarHBondContact O-CD2 3.18Å; L466-Y470 PolarHBondContact O-N 2.86Å
467	D	92.5	Very high	92.6	Very high	12 Å²	12	49 Å²	49	6%	0.064	25%	0.25	C	S	.	.	H	α-helix	trans	-57.2	-46.3	174.2	178.5	85.8	0	0	0	112.4	A463 V464 K469 Y470 N471 G472 Q476 K699	A463-D467 WeakPolarHBondContact O-CB 3.35Å; A463-D467 PolarHBondContact O-N 2.88Å; V464-D467 PolarHBondContact O-N 2.94Å; D467-K469 VanDerWaalsContact C-N 3.32Å; D467-K469 PolarHBondContact O-N 3.12Å; D467-Y470 CarbonylContact O-C 3.5Å; D467-Y470 PolarHBondContact O-N 2.84Å; D467-Y470 VanDerWaalsContact O-N 3.12Å; D467-N471 PolarHBondContact O-N 3.22Å; D467-G472 WeakPolarHBondContact O-CA 3.24Å; D467-G472 PolarHBondContact O-N 2.87Å; D467-Q476 PolarHBondContact OD1-NE2 3.12Å; D467-Q476 PolarHBondContact OD2-NE2 2.68Å; D467-K699 IonicContact OD1-NZ 3.14Å; D467-K699 PolarHBondContact OD1-NZ 2.8Å; D467-K699 IonicContact OD2-NZ 2.87Å; D467-K699 PolarHBondContact OD2-NZ 2.87Å
468	Q	92.8	Very high	92.8	Very high	128 Å²	128	49.1 Å²	49.1	60%	0.598	24%	0.241	S	C	*	.	H	α-helix	trans	-62.1	-37.4	175.6	-73	173.1	-0.6	0	0	112.7	V464 I465 L466 Y470 N471	V464-Q468 HydrophobicContact CG1-CG 4.5Å; V464-Q468 WeakPolarHBondContact O-CB 3.3Å; V464-Q468 VanDerWaalsContact O-CG 3.28Å; V464-Q468 WeakPolarHBondContact O-CG 3.24Å; V464-Q468 PolarHBondContact O-N 3.31Å; I465-Q468 PolarHBondContact O-N 2.96Å; L466-Q468 PolarHBondContact O-N 3.26Å; Q468-Y470 PolarHBondContact O-N 3.04Å; Q468-N471 PolarHBondContact O-N 2.88Å
469	K	94.5	Very high	92.8	Very high	154 Å²	154	48.7 Å²	48.7	67%	0.67	24%	0.237	S	C	*	.	H	α-helix	trans	-61.3	-28.7	176.1	-176.7	-178.2	176.3	-173.5	0	112.5	I465 L466 D467	I465-K469 PolarHBondContact O-N 3.25Å; L466-K469 HydrophobicContact CD1-CD 4.36Å; L466-K469 WeakPolarHBondContact O-CB 3.49Å; L466-K469 PolarHBondContact O-N 2.98Å; D467-K469 VanDerWaalsContact C-N 3.32Å; D467-K469 PolarHBondContact O-N 3.12Å
470	Y	92.7	Very high	92.8	Very high	49 Å²	49	49.1 Å²	49.1	19%	0.192	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	35.2	175.6	-70.6	-99	0	0	0	111.3	L430 Y441 L466 D467 Q468 G472 E473 P474	L430-Y470 HydrophobicContact CD2-CD1 4.49Å; L430-Y470 HydrophobicContact CD2-CD2 4.18Å; L430-Y470 HydrophobicContact CD2-CE1 3.82Å; L430-Y470 HydrophobicContact CD2-CE2 3.47Å; L430-Y470 VanDerWaalsContact CD2-CE2 3.47Å; L430-Y470 VanDerWaalsContact CD2-OH 3.3Å; L430-Y470 WeakPolarHBondContact CD2-OH 3.15Å; Y441-Y470 HydrophobicContact CD1-CD1 4.17Å; Y441-Y470 HydrophobicContact CD1-CE1 4.36Å; Y441-Y470 HydrophobicContact CD2-CD1 4.5Å; Y441-Y470 AromaticContact CE1-CD1 3.94Å; Y441-Y470 HydrophobicContact CE1-CD1 3.94Å; Y441-Y470 HydrophobicContact CE1-CE1 4.02Å; Y441-Y470 HydrophobicContact CE2-CD1 4.28Å; Y441-Y470 HydrophobicContact CG-CD1 4.45Å; L466-Y470 HydrophobicContact CD1-CD2 4.28Å; L466-Y470 HydrophobicContact CD1-CE2 3.85Å; L466-Y470 HydrophobicContact CG-CE2 4.42Å; L466-Y470 VanDerWaalsContact O-CD2 3.32Å; L466-Y470 WeakPolarHBondContact O-CD2 3.18Å; L466-Y470 PolarHBondContact O-N 2.86Å; D467-Y470 CarbonylContact O-C 3.5Å; D467-Y470 PolarHBondContact O-N 2.84Å; D467-Y470 VanDerWaalsContact O-N 3.12Å; Q468-Y470 PolarHBondContact O-N 3.04Å; Y470-G472 PolarHBondContact O-N 3.3Å; Y470-E473 WeakPolarHBondContact O-CB 3.34Å; Y470-E473 VanDerWaalsContact O-CG 3.31Å; Y470-E473 WeakPolarHBondContact O-CG 3.32Å; Y470-E473 PolarHBondContact O-N 3.28Å; Y470-P474 HydrophobicContact CG-CG 4.36Å
471	N	91.1	Very high	93	Very high	137 Å²	137	48 Å²	48	73%	0.733	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.5	23.4	175.8	-56.7	-40.8	0	0	0	115.1	D467 Q468 E473	D467-N471 PolarHBondContact O-N 3.22Å; Q468-N471 PolarHBondContact O-N 2.88Å; N471-E473 HydrophobicContact CB-CG 4.29Å; N471-E473 PolarHBondContact O-N 2.78Å
472	G	89.1	Confident	92.9	Very high	14 Å²	14	42 Å²	42	14%	0.144	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.5	15.6	-176.8	0	0	0	0	0	114.5	D467 Y470 K699	D467-G472 WeakPolarHBondContact O-CA 3.24Å; D467-G472 PolarHBondContact O-N 2.87Å; Y470-G472 PolarHBondContact O-N 3.3Å; G472-K699 VanDerWaalsContact CA-NZ 3.35Å; G472-K699 WeakPolarHBondContact O-CD 3.4Å; G472-K699 PolarHBondContact O-NZ 2.85Å
473	E	92.8	Very high	92.6	Very high	42 Å²	42	45.1 Å²	45.1	20%	0.196	23%	0.226	C	C	.	.			trans	-74.7	-29.9	176.6	-53.4	-161.1	158.2	0	0	115.5	Y441 Y470 N471 V475 Y702	Y441-E473 HydrophobicContact CD2-CB 4.16Å; Y470-E473 WeakPolarHBondContact O-CB 3.34Å; Y470-E473 VanDerWaalsContact O-CG 3.31Å; Y470-E473 WeakPolarHBondContact O-CG 3.32Å; Y470-E473 PolarHBondContact O-N 3.28Å; N471-E473 HydrophobicContact CB-CG 4.29Å; N471-E473 PolarHBondContact O-N 2.78Å; E473-V475 PolarHBondContact O-N 2.87Å; E473-Y702 HydrophobicContact CB-CD1 3.83Å; E473-Y702 HydrophobicContact CB-CE1 3.68Å; E473-Y702 HydrophobicContact CB-CG 4.42Å; E473-Y702 HydrophobicContact CG-CD1 4.03Å; E473-Y702 HydrophobicContact CG-CE1 3.34Å; E473-Y702 HydrophobicContact CG-CE2 4.28Å; E473-Y702 VanDerWaalsContact CG-CZ 3.47Å; E473-Y702 WeakPolarHBondContact CG-OH 3Å; E473-Y702 WeakPolarHBondContact OE1-CE1 3.49Å; E473-Y702 PolarHBondContact OE1-OH 3.42Å
474	P	95.8	Very high	92.4	Very high	3 Å²	3	45.6 Å²	45.6	2%	0.019	23%	0.228	C	C	.	.	S	Bend	trans	-62.1	135.5	-177.6	-25.6	35.1	0	0	0	114.1	L430 Y441 L443 Y470 Q476	L430-P474 HydrophobicContact CD1-CG 4.41Å; Y441-P474 WeakPolarHBondContact O-CA 3.13Å; L443-P474 HydrophobicContact CB-CB 4.04Å; Y470-P474 HydrophobicContact CG-CG 4.36Å; P474-Q476 PolarHBondContact O-N 2.93Å
475	V	95.3	Very high	92.3	Very high	5 Å²	5	43.1 Å²	43.1	3%	0.03	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	118	167.2	177.6	0	0	0	0	108	Y441 L442 L443 E473 I477 I696 V697 V698 Y702 P704	Y441-V475 PolarHBondContact O-N 2.82Å; L442-V475 HydrophobicContact CD2-CB 3.74Å; L442-V475 HydrophobicContact CD2-CG1 4.27Å; L442-V475 HydrophobicContact CD2-CG2 4.18Å; L443-V475 PolarHBondContact N-O 2.81Å; E473-V475 PolarHBondContact O-N 2.87Å; V475-I477 HydrophobicContact CG1-CG1 4.31Å; V475-I696 HydrophobicContact CG1-CG2 3.53Å; V475-V697 WeakPolarHBondContact CG1-O 3.36Å; V475-V698 HydrophobicContact CG1-CG2 4.21Å; V475-Y702 WeakPolarHBondContact CG2-O 3.3Å; V475-P704 HydrophobicContact CG1-CG 4.33Å; V475-P704 HydrophobicContact CG2-CG 4.26Å
476	Q	95.6	Very high	92	Very high	27 Å²	27	41.4 Å²	41.4	13%	0.126	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	130	-175.7	-52.1	177.5	23.7	0	0	110.6	L443 D467 P474 I696 V697	L443-Q476 HydrophobicContact CD2-CG 4.43Å; L443-Q476 CarbonylContact O-C 3.56Å; L443-Q476 WeakPolarHBondContact O-CA 3.37Å; D467-Q476 PolarHBondContact OD1-NE2 3.12Å; D467-Q476 PolarHBondContact OD2-NE2 2.68Å; P474-Q476 PolarHBondContact O-N 2.93Å; Q476-I696 CarbonylContact O-C 3.54Å; Q476-I696 WeakPolarHBondContact O-CA 3.47Å; Q476-V697 HydrophobicContact CB-CB 4.14Å; Q476-V697 PolarHBondContact N-O 2.97Å; Q476-V697 VanDerWaalsContact N-O 3.09Å; Q476-V697 PolarHBondContact O-N 2.85Å
477	I	94.3	Very high	91.9	Very high	9 Å²	9	41.2 Å²	41.2	5%	0.046	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	107.4	-173.2	-56.9	162	0	0	0	108.1	L442 L443 Y444 I445 V475 V479 I696	L442-I477 HydrophobicContact CB-CD1 4.14Å; L442-I477 HydrophobicContact CD1-CD1 4.18Å; L442-I477 HydrophobicContact CD2-CD1 4.33Å; L442-I477 HydrophobicContact CG-CD1 4.47Å; L443-I477 PolarHBondContact O-N 3.29Å; Y444-I477 WeakPolarHBondContact CA-O 3.04Å; Y444-I477 HydrophobicContact CD1-CB 3.74Å; Y444-I477 HydrophobicContact CD1-CD1 3.93Å; Y444-I477 HydrophobicContact CD1-CG1 4.45Å; Y444-I477 HydrophobicContact CD1-CG2 3.72Å; Y444-I477 HydrophobicContact CE1-CB 3.95Å; Y444-I477 HydrophobicContact CE1-CD1 3.4Å; Y444-I477 HydrophobicContact CE1-CG1 4.27Å; Y444-I477 HydrophobicContact CE1-CG2 3.73Å; Y444-I477 HydrophobicContact CE2-CD1 4.15Å; Y444-I477 HydrophobicContact CG-CB 4.48Å; Y444-I477 VanDerWaalsContact CZ-CD1 3.5Å; I445-I477 PolarHBondContact N-O 2.68Å; V475-I477 HydrophobicContact CG1-CG1 4.31Å; I477-V479 HydrophobicContact CG2-CG2 3.73Å; I477-I696 HydrophobicContact CG1-CG1 4.22Å; I477-I696 HydrophobicContact CG1-CG2 4.02Å; I477-I696 HydrophobicContact CG2-CG1 4.08Å
478	R	92.8	Very high	91.8	Very high	85 Å²	85	40.6 Å²	40.6	32%	0.321	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	120.8	175.1	-174.3	-179.6	176.9	-155.7	-8.3	109.6	P694 I695	R478-P694 WeakPolarHBondContact O-CB 3.28Å; R478-I695 PolarHBondContact N-O 3.26Å; R478-I695 VanDerWaalsContact N-O 3.1Å
479	V	92.8	Very high	91.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	97.8	-175.7	-174	0	0	0	0	110.3	Y444 I445 W446 Q447 I477 E484 P485 L488	Y444-V479 HydrophobicContact CD1-CG2 3.79Å; Y444-V479 HydrophobicContact CE1-CG2 4.48Å; I445-V479 PolarHBondContact O-N 2.88Å; W446-V479 WeakPolarHBondContact CA-O 3.46Å; Q447-V479 PolarHBondContact N-O 2.95Å; I477-V479 HydrophobicContact CG2-CG2 3.73Å; V479-E484 HydrophobicContact CG1-CB 4.39Å; V479-E484 HydrophobicContact CG1-CG 4.12Å; V479-P485 HydrophobicContact CG2-CG 4.46Å; V479-L488 HydrophobicContact CG1-CD2 4.04Å; V479-L488 HydrophobicContact CG2-CD2 4.28Å
480	P	92	Very high	91.4	Very high	9 Å²	9	28 Å²	28	6%	0.058	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	144.5	167.1	-24.3	37.4	0	0	0	111.5	G482 K483 E692	P480-G482 PolarHBondContact O-N 2.73Å; P480-K483 HydrophobicContact CB-CG 4.45Å; P480-K483 WeakPolarHBondContact O-CB 3.33Å; P480-K483 PolarHBondContact O-N 3.21Å; P480-E692 HydrophobicContact CB-CB 4.01Å; P480-E692 HydrophobicContact CB-CG 4.47Å; P480-E692 WeakPolarHBondContact CB-OE2 3.39Å; P480-E692 HydrophobicContact CG-CB 4.06Å; P480-E692 WeakPolarHBondContact CG-O 3.24Å; P480-E692 WeakPolarHBondContact CG-OE2 3.32Å
481	M	91.7	Very high	91.4	Very high	25 Å²	25	26.5 Å²	26.5	12%	0.123	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	125.2	175.4	174.1	172.6	172.6	0	0	111.8	G423 W446 Q447 S449 V498 Y499 F531	G423-M481 VanDerWaalsContact CA-SD 3.58Å; W446-M481 HydrophobicContact CH2-CB 4.04Å; W446-M481 HydrophobicContact CH2-CG 4.07Å; W446-M481 HydrophobicContact CH2-SD 4.02Å; W446-M481 HydrophobicContact CZ2-CB 3.74Å; W446-M481 HydrophobicContact CZ2-CG 3.78Å; W446-M481 HydrophobicContact CZ2-SD 4.33Å; Q447-M481 WeakPolarHBondContact O-CB 3.37Å; Q447-M481 PolarHBondContact O-N 2.86Å; S449-M481 PolarHBondContact N-SD 3.31Å; S449-M481 PolarHBondContact OG-SD 3.34Å; M481-V498 HydrophobicContact CE-CG1 3.77Å; M481-V498 HydrophobicContact CG-CG1 4.02Å; M481-V498 HydrophobicContact SD-CG1 4.29Å; M481-Y499 WeakPolarHBondContact CE-O 3.43Å; M481-F531 HydrophobicContact CE-CE1 4.33Å; M481-F531 HydrophobicContact CE-CE2 3.51Å; M481-F531 HydrophobicContact CE-CZ 3.33Å; M481-F531 HydrophobicContact CG-CE2 3.96Å; M481-F531 HydrophobicContact CG-CZ 4.37Å
482	G	87.6	Confident	91.2	Very high	30 Å²	30	20.6 Å²	20.6	31%	0.309	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	95	-13.6	-177	0	0	0	0	0	114.5	P480 E484 K529	P480-G482 PolarHBondContact O-N 2.73Å; G482-E484 WeakPolarHBondContact CA-OE2 3.38Å; G482-E484 PolarHBondContact N-OE1 2.64Å; G482-E484 PolarHBondContact N-OE2 3.32Å; G482-K529 PolarHBondContact O-NZ 3.13Å
483	K	89.1	Confident	91	Very high	79 Å²	79	25.5 Å²	25.5	34%	0.343	13%	0.127	S	C	.	.			trans	-107.3	28	180	-58.8	-65	-172.4	177	0	113.1	P480 D690 E692 P694	P480-K483 HydrophobicContact CB-CG 4.45Å; P480-K483 WeakPolarHBondContact O-CB 3.33Å; P480-K483 PolarHBondContact O-N 3.21Å; K483-D690 WeakPolarHBondContact CE-OD2 3.49Å; K483-D690 IonicContact NZ-OD2 2.66Å; K483-D690 PolarHBondContact NZ-OD2 3.32Å; K483-E692 HydrophobicContact CG-CB 4.43Å; K483-P694 HydrophobicContact CB-CG 3.98Å
484	E	89.6	Confident	90.3	Very high	10 Å²	10	23.5 Å²	23.5	5%	0.047	12%	0.118	C	C	.	.			trans	-61.2	124.5	-179.4	-61.9	74.9	-163.6	0	0	111.9	W446 V479 G482 L488 M489 M496 K529	W446-E484 PolarHBondContact NE1-OE1 3.28Å; V479-E484 HydrophobicContact CG1-CB 4.39Å; V479-E484 HydrophobicContact CG1-CG 4.12Å; G482-E484 WeakPolarHBondContact CA-OE2 3.38Å; G482-E484 PolarHBondContact N-OE1 2.64Å; G482-E484 PolarHBondContact N-OE2 3.32Å; E484-L488 HydrophobicContact CB-CD2 4.24Å; E484-L488 HydrophobicContact CG-CD2 4.14Å; E484-M489 HydrophobicContact CB-CG 4.19Å; E484-M489 HydrophobicContact CB-SD 4.49Å; E484-M489 WeakPolarHBondContact O-CE 3.46Å; E484-M496 HydrophobicContact CB-CE 4.36Å; E484-M496 HydrophobicContact CB-SD 4.41Å; E484-M496 HydrophobicContact CG-CE 3.5Å; E484-M496 VanDerWaalsContact CG-CE 3.5Å; E484-M496 HydrophobicContact CG-SD 4.07Å; E484-K529 IonicContact OE2-NZ 3.48Å; E484-K529 PolarHBondContact OE2-NZ 3.09Å
485	P	88.8	Confident	89.7	Confident	10 Å²	10	29.1 Å²	29.1	7%	0.065	14%	0.139	C	C	.	.			trans	-73.4	155.6	178.4	28.8	-33.7	0	0	0	111.8	Y444 V479 H487 L488 M489	Y444-P485 HydrophobicContact CE1-CG 3.84Å; V479-P485 HydrophobicContact CG2-CG 4.46Å; P485-H487 VanDerWaalsContact C-N 3.29Å; P485-H487 PolarHBondContact O-N 2.83Å; P485-L488 HydrophobicContact CG-CB 3.9Å; P485-L488 PolarHBondContact O-N 3.11Å; P485-M489 PolarHBondContact O-N 3.01Å
486	P	87.3	Confident	89.4	Confident	32 Å²	32	28.9 Å²	28.9	21%	0.208	14%	0.137	C	C	.	.	H	α-helix	trans	-48.2	-45.9	179.1	-31.1	37.5	0	0	0	114.4	K391 M392 L488 M489 S490 N526	K391-P486 HydrophobicContact CB-CG 4.17Å; K391-P486 HydrophobicContact CD-CG 4.36Å; M392-P486 HydrophobicContact SD-CB 3.82Å; P486-L488 PolarHBondContact O-N 3.48Å; P486-M489 PolarHBondContact O-N 3.42Å; P486-M489 VanDerWaalsContact O-N 3.15Å; P486-S490 PolarHBondContact O-N 3.12Å; P486-N526 CarbonylContact C-O 3.57Å; P486-N526 WeakPolarHBondContact CA-O 3.38Å
487	H	91.3	Very high	89.2	Confident	5 Å²	5	27.6 Å²	27.6	2%	0.023	13%	0.131	C	C	.	.	H	α-helix	trans	-62.3	-37.3	178.7	-177.9	-80.9	0	0	0	113.7	M392 V393 D394 Y431 Y444 P485 M489 S490 I491	M392-H487 HydrophobicContact SD-CB 4.13Å; V393-H487 VanDerWaalsContact CG2-CD2 3.44Å; V393-H487 WeakPolarHBondContact CG2-CD2 3.45Å; V393-H487 WeakPolarHBondContact CG2-NE2 3.42Å; D394-H487 IonicContact OD1-CD2 2.68Å; D394-H487 IonicContact OD1-NE2 2.83Å; D394-H487 PolarHBondContact OD1-NE2 3.27Å; Y431-H487 AromaticContact CD1-CE1 3.56Å; Y431-H487 AromaticContact CE1-CE1 3.42Å; Y431-H487 VanDerWaalsContact CE1-CE1 3.42Å; Y431-H487 WeakPolarHBondContact CE1-CE1 3.35Å; Y431-H487 AromaticContact CE1-NE2 3.5Å; Y444-H487 AromaticContact CE2-ND1 3.95Å; Y444-H487 AromaticContact CZ-ND1 3.71Å; Y444-H487 PolarHBondContact OH-ND1 3.43Å; P485-H487 VanDerWaalsContact C-N 3.29Å; P485-H487 PolarHBondContact O-N 2.83Å; H487-M489 VanDerWaalsContact C-N 3.28Å; H487-M489 PolarHBondContact O-N 3.29Å; H487-S490 WeakPolarHBondContact CA-OG 3.2Å; H487-S490 PolarHBondContact O-N 3.18Å; H487-S490 PolarHBondContact O-OG 3.02Å; H487-I491 WeakPolarHBondContact O-CG1 3.36Å; H487-I491 PolarHBondContact O-N 3.12Å
488	L	92.2	Very high	89.1	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-64.3	-38.8	176.6	177.8	60.5	0	0	0	110.9	L429 Y444 V479 E484 P485 P486 I491 F492 M496	L429-L488 HydrophobicContact CD2-CD1 4.17Å; Y444-L488 HydrophobicContact CD1-CB 4.25Å; Y444-L488 HydrophobicContact CD1-CD1 4.14Å; Y444-L488 HydrophobicContact CD1-CD2 4.24Å; Y444-L488 HydrophobicContact CD1-CG 4.45Å; Y444-L488 HydrophobicContact CD2-CD1 4.04Å; Y444-L488 HydrophobicContact CE1-CB 3.89Å; Y444-L488 HydrophobicContact CE1-CD1 4.46Å; Y444-L488 HydrophobicContact CE2-CD1 4.39Å; Y444-L488 HydrophobicContact CG-CD1 3.92Å; V479-L488 HydrophobicContact CG1-CD2 4.04Å; V479-L488 HydrophobicContact CG2-CD2 4.28Å; E484-L488 HydrophobicContact CB-CD2 4.24Å; E484-L488 HydrophobicContact CG-CD2 4.14Å; P485-L488 HydrophobicContact CG-CB 3.9Å; P485-L488 PolarHBondContact O-N 3.11Å; P486-L488 PolarHBondContact O-N 3.48Å; L488-I491 HydrophobicContact CD1-CD1 4.3Å; L488-F492 HydrophobicContact CD1-CE2 4.03Å; L488-F492 VanDerWaalsContact O-CD2 3.3Å; L488-F492 WeakPolarHBondContact O-CD2 3.39Å; L488-F492 WeakPolarHBondContact O-CE2 3.36Å; L488-M496 HydrophobicContact CD2-CE 4.06Å; L488-M496 HydrophobicContact CG-CE 4.24Å
489	M	89.3	Confident	89.1	Confident	13 Å²	13	23.7 Å²	23.7	6%	0.064	12%	0.116	C	C	.	.	H	α-helix	trans	-68.4	-36.9	177.9	-65.8	-177.9	-76.4	0	0	111.9	E484 P485 P486 H487 I491 F492 K493 M496 K529	E484-M489 HydrophobicContact CB-CG 4.19Å; E484-M489 HydrophobicContact CB-SD 4.49Å; E484-M489 WeakPolarHBondContact O-CE 3.46Å; P485-M489 PolarHBondContact O-N 3.01Å; P486-M489 PolarHBondContact O-N 3.42Å; P486-M489 VanDerWaalsContact O-N 3.15Å; H487-M489 VanDerWaalsContact C-N 3.28Å; H487-M489 PolarHBondContact O-N 3.29Å; M489-I491 VanDerWaalsContact C-N 3.32Å; M489-I491 PolarHBondContact O-N 3.16Å; M489-F492 PolarHBondContact O-N 3.25Å; M489-K493 PolarHBondContact O-N 3.02Å; M489-M496 HydrophobicContact CG-SD 3.85Å; M489-K529 HydrophobicContact SD-CB 4.03Å; M489-K529 HydrophobicContact SD-CD 3.91Å; M489-K529 HydrophobicContact SD-CG 4.16Å
490	S	89.1	Confident	88.8	Confident	5 Å²	5	27.4 Å²	27.4	4%	0.035	13%	0.133	C	C	.	.	H	α-helix	trans	-66	-30.8	-179.7	66.3	0	0	0	0	113.7	M392 P486 H487 F492 K493	M392-S490 VanDerWaalsContact CE-OG 3.31Å; M392-S490 WeakPolarHBondContact CE-OG 3.46Å; P486-S490 PolarHBondContact O-N 3.12Å; H487-S490 WeakPolarHBondContact CA-OG 3.2Å; H487-S490 PolarHBondContact O-N 3.18Å; H487-S490 PolarHBondContact O-OG 3.02Å; S490-F492 PolarHBondContact O-N 3.32Å; S490-F492 VanDerWaalsContact O-N 3.15Å; S490-K493 PolarHBondContact O-N 3.28Å
491	I	91.3	Very high	88.4	Confident	16 Å²	16	27.6 Å²	27.6	8%	0.082	14%	0.137	C	C	.	.	H	α-helix	trans	-52.9	-36.6	174	-66	168.2	0	0	0	111	V400 Y431 Y444 H487 L488 M489	V400-I491 HydrophobicContact CB-CG2 4.02Å; V400-I491 HydrophobicContact CG1-CG2 3.92Å; V400-I491 HydrophobicContact CG2-CG2 4.11Å; Y431-I491 HydrophobicContact CD2-CD1 3.8Å; Y431-I491 HydrophobicContact CD2-CG1 3.94Å; Y431-I491 HydrophobicContact CE2-CD1 4.3Å; Y431-I491 HydrophobicContact CE2-CG1 3.94Å; Y431-I491 HydrophobicContact CG-CD1 4.02Å; Y444-I491 HydrophobicContact CD2-CD1 4.47Å; Y444-I491 HydrophobicContact CE2-CD1 3.99Å; H487-I491 WeakPolarHBondContact O-CG1 3.36Å; H487-I491 PolarHBondContact O-N 3.12Å; L488-I491 HydrophobicContact CD1-CD1 4.3Å; M489-I491 VanDerWaalsContact C-N 3.32Å; M489-I491 PolarHBondContact O-N 3.16Å
492	F	88.9	Confident	88.1	Confident	13 Å²	13	28 Å²	28	6%	0.057	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-0.9	-178.7	-55.5	-67	0	0	0	113.9	F421 L429 L488 M489 S490 G494 R495 M496	F421-F492 HydrophobicContact CE2-CD2 4.32Å; F421-F492 AromaticContact CE2-CE2 3.72Å; F421-F492 HydrophobicContact CE2-CE2 3.72Å; F421-F492 AromaticContact CE2-CZ 3.9Å; F421-F492 HydrophobicContact CE2-CZ 3.9Å; F421-F492 AromaticContact CZ-CE2 3.68Å; F421-F492 HydrophobicContact CZ-CE2 3.68Å; F421-F492 AromaticContact CZ-CZ 3.6Å; F421-F492 HydrophobicContact CZ-CZ 3.6Å; L429-F492 HydrophobicContact CD2-CE2 4.27Å; L429-F492 HydrophobicContact CD2-CZ 3.64Å; L488-F492 HydrophobicContact CD1-CE2 4.03Å; L488-F492 VanDerWaalsContact O-CD2 3.3Å; L488-F492 WeakPolarHBondContact O-CD2 3.39Å; L488-F492 WeakPolarHBondContact O-CE2 3.36Å; M489-F492 PolarHBondContact O-N 3.25Å; S490-F492 PolarHBondContact O-N 3.32Å; S490-F492 VanDerWaalsContact O-N 3.15Å; F492-G494 VanDerWaalsContact C-N 3.34Å; F492-G494 PolarHBondContact O-N 3.31Å; F492-R495 VanDerWaalsContact O-CB 3.31Å; F492-R495 WeakPolarHBondContact O-CB 3.41Å; F492-R495 PolarHBondContact O-N 3.14Å; F492-R495 VanDerWaalsContact O-N 3.07Å; F492-R495 PolarHBondContact O-NE 2.96Å; F492-M496 HydrophobicContact CB-CB 4.23Å; F492-M496 HydrophobicContact CD2-CB 4.14Å; F492-M496 HydrophobicContact CD2-CG 4.18Å; F492-M496 HydrophobicContact CD2-SD 4.3Å; F492-M496 HydrophobicContact CG-CB 4.48Å
493	K	84	Confident	87.8	Confident	117 Å²	117	27.8 Å²	27.8	51%	0.509	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	49	176.1	-55.1	-178.7	-179.7	-179	0	112.3	M489 S490 R495	M489-K493 PolarHBondContact O-N 3.02Å; S490-K493 PolarHBondContact O-N 3.28Å; K493-R495 VanDerWaalsContact C-N 3.32Å; K493-R495 PolarHBondContact O-N 3.11Å
494	G	78.6	Confident	87.4	Confident	1 Å²	1	24.8 Å²	24.8	1%	0.01	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.4	8.8	-179.2	0	0	0	0	0	115.6	F492 A525	F492-G494 VanDerWaalsContact C-N 3.34Å; F492-G494 PolarHBondContact O-N 3.31Å; G494-A525 PolarHBondContact N-O 2.99Å; G494-A525 VanDerWaalsContact N-O 3.11Å
495	R	82.7	Confident	87.1	Confident	120 Å²	120	27.3 Å²	27.3	45%	0.453	14%	0.138	S	C	.	.			trans	-104.8	19.2	179.6	-59.1	177.2	-70.9	-173.3	0.9	113.7	F492 K493 V497	F492-R495 VanDerWaalsContact O-CB 3.31Å; F492-R495 WeakPolarHBondContact O-CB 3.41Å; F492-R495 PolarHBondContact O-N 3.14Å; F492-R495 VanDerWaalsContact O-N 3.07Å; F492-R495 PolarHBondContact O-NE 2.96Å; K493-R495 VanDerWaalsContact C-N 3.32Å; K493-R495 PolarHBondContact O-N 3.11Å; R495-V497 PolarHBondContact O-N 3.49Å
496	M	89.8	Confident	86.3	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	121.8	175.7	-169.3	174.5	-167.7	0	0	110.2	G419 F421 E484 L488 M489 F492 V498 A530	G419-M496 CarbonylContact O-C 3.36Å; G419-M496 WeakPolarHBondContact O-CA 3.43Å; F421-M496 HydrophobicContact CD2-CE 3.56Å; F421-M496 HydrophobicContact CD2-CG 4.07Å; F421-M496 HydrophobicContact CE2-CE 3.48Å; F421-M496 VanDerWaalsContact CE2-CE 3.48Å; F421-M496 HydrophobicContact CE2-CG 3.99Å; F421-M496 HydrophobicContact CE2-SD 4.45Å; F421-M496 HydrophobicContact CG-CE 4.24Å; F421-M496 HydrophobicContact CZ-CE 4.08Å; E484-M496 HydrophobicContact CB-CE 4.36Å; E484-M496 HydrophobicContact CB-SD 4.41Å; E484-M496 HydrophobicContact CG-CE 3.5Å; E484-M496 VanDerWaalsContact CG-CE 3.5Å; E484-M496 HydrophobicContact CG-SD 4.07Å; L488-M496 HydrophobicContact CD2-CE 4.06Å; L488-M496 HydrophobicContact CG-CE 4.24Å; M489-M496 HydrophobicContact CG-SD 3.85Å; F492-M496 HydrophobicContact CB-CB 4.23Å; F492-M496 HydrophobicContact CD2-CB 4.14Å; F492-M496 HydrophobicContact CD2-CG 4.18Å; F492-M496 HydrophobicContact CD2-SD 4.3Å; F492-M496 HydrophobicContact CG-CB 4.48Å; M496-V498 HydrophobicContact CE-CG2 4.29Å; M496-V498 HydrophobicContact CG-CG2 4.47Å; M496-A530 PolarHBondContact O-N 3.19Å
497	V	90.8	Very high	85.3	Confident	0 Å²	0	37 Å²	37	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	122.7	177.9	-174.3	0	0	0	0	108.9	G419 H420 F421 R495 Y499 F518 A530 V573 I577	G419-V497 PolarHBondContact O-N 3.29Å; H420-V497 WeakPolarHBondContact CA-O 3.47Å; F421-V497 PolarHBondContact N-O 2.88Å; R495-V497 PolarHBondContact O-N 3.49Å; V497-Y499 HydrophobicContact CG1-CE1 4.1Å; V497-Y499 HydrophobicContact CG1-CE2 4Å; V497-F518 HydrophobicContact CG1-CD1 4.22Å; V497-F518 HydrophobicContact CG1-CE1 4.01Å; V497-A530 WeakPolarHBondContact CA-O 3.42Å; V497-A530 HydrophobicContact CG2-CB 4.42Å; V497-V573 HydrophobicContact CG2-CG1 4.17Å; V497-I577 HydrophobicContact CG1-CG2 4.39Å
498	V	92.7	Very high	84.1	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	118.4	178.6	-177.3	0	0	0	0	109.1	F421 W446 M481 M496 A530 F531 E532	F421-V498 HydrophobicContact CB-CG2 4.45Å; F421-V498 CarbonylContact O-C 3.59Å; F421-V498 WeakPolarHBondContact O-CA 3.32Å; W446-V498 HydrophobicContact CH2-CG1 4.19Å; W446-V498 HydrophobicContact CZ2-CG1 3.72Å; W446-V498 HydrophobicContact CZ2-CG2 4.47Å; M481-V498 HydrophobicContact CE-CG1 3.77Å; M481-V498 HydrophobicContact CG-CG1 4.02Å; M481-V498 HydrophobicContact SD-CG1 4.29Å; M496-V498 HydrophobicContact CE-CG2 4.29Å; M496-V498 HydrophobicContact CG-CG2 4.47Å; V498-A530 PolarHBondContact N-O 3.18Å; V498-F531 HydrophobicContact CB-CD2 3.84Å; V498-F531 HydrophobicContact CB-CE2 4.3Å; V498-F531 HydrophobicContact CG1-CD2 3.8Å; V498-F531 HydrophobicContact CG1-CE2 3.73Å; V498-E532 PolarHBondContact O-N 3.38Å
499	Y	91.2	Very high	82.5	Confident	13 Å²	13	48.1 Å²	48.1	5%	0.051	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	140.6	176.3	-58.8	-81.4	0	0	0	110.4	H420 F421 Y422 G423 M481 V497 G501 R516 F518 E532	H420-Y499 HydrophobicContact CB-CE2 3.95Å; H420-Y499 PolarHBondContact CE1-OH 3.39Å; H420-Y499 AromaticContact ND1-CE2 3.48Å; H420-Y499 WeakPolarHBondContact ND1-CE2 3.38Å; H420-Y499 AromaticContact ND1-CZ 3.58Å; H420-Y499 PolarHBondContact ND1-OH 3.13Å; F421-Y499 WeakPolarHBondContact O-CD2 3.42Å; F421-Y499 PolarHBondContact O-N 2.89Å; Y422-Y499 AromaticContact CD1-CD2 3.91Å; Y422-Y499 HydrophobicContact CD1-CD2 3.91Å; Y422-Y499 HydrophobicContact CD1-CG 4.04Å; Y422-Y499 AromaticContact CD2-CD2 3.78Å; Y422-Y499 HydrophobicContact CD2-CD2 3.78Å; Y422-Y499 HydrophobicContact CD2-CE2 4.28Å; Y422-Y499 AromaticContact CE1-CD2 3.77Å; Y422-Y499 HydrophobicContact CE1-CD2 3.77Å; Y422-Y499 HydrophobicContact CE1-CE2 4.24Å; Y422-Y499 AromaticContact CE1-CG 3.94Å; Y422-Y499 HydrophobicContact CE1-CG 3.94Å; Y422-Y499 AromaticContact CE2-CD2 3.6Å; Y422-Y499 HydrophobicContact CE2-CD2 3.6Å; Y422-Y499 AromaticContact CE2-CE2 3.68Å; Y422-Y499 HydrophobicContact CE2-CE2 3.68Å; Y422-Y499 AromaticContact CG-CD2 3.93Å; Y422-Y499 HydrophobicContact CG-CD2 3.93Å; Y422-Y499 HydrophobicContact CG-CG 4.41Å; Y422-Y499 AromaticContact CZ-CD2 3.62Å; Y422-Y499 AromaticContact CZ-CE2 3.68Å; G423-Y499 WeakPolarHBondContact CA-O 3.33Å; G423-Y499 PolarHBondContact N-O 3.49Å; M481-Y499 WeakPolarHBondContact CE-O 3.43Å; V497-Y499 HydrophobicContact CG1-CE1 4.1Å; V497-Y499 HydrophobicContact CG1-CE2 4Å; Y499-G501 PolarHBondContact O-N 2.81Å; Y499-R516 VanDerWaalsContact CD1-NH1 3.34Å; Y499-F518 AromaticContact CD1-CE1 3.73Å; Y499-F518 HydrophobicContact CD1-CE1 3.73Å; Y499-F518 AromaticContact CD1-CZ 3.94Å; Y499-F518 HydrophobicContact CD1-CZ 3.94Å; Y499-F518 AromaticContact CE1-CE1 3.67Å; Y499-F518 HydrophobicContact CE1-CE1 3.67Å; Y499-F518 AromaticContact CE1-CZ 3.66Å; Y499-F518 HydrophobicContact CE1-CZ 3.66Å; Y499-E532 VanDerWaalsContact CA-OE2 3.27Å; Y499-E532 WeakPolarHBondContact CA-OE2 3.33Å; Y499-E532 VanDerWaalsContact CB-OE2 3.3Å; Y499-E532 WeakPolarHBondContact CB-OE2 3.06Å; Y499-E532 WeakPolarHBondContact CD1-OE2 3.29Å
500	Q	87.6	Confident	81.3	Confident	77 Å²	77	54.4 Å²	54.4	36%	0.36	29%	0.289	S	S	.	.	S	Bend	trans	-62.4	-32.1	-173.6	-169.2	-179.3	6.1	0	0	111.6	E532	Q500-E532 HydrophobicContact CB-CB 4.25Å; Q500-E532 HydrophobicContact CB-CG 4.38Å; Q500-E532 PolarHBondContact N-OE2 3.29Å
501	G	83.4	Confident	80.1	Confident	14 Å²	14	59.9 Å²	59.9	14%	0.144	33%	0.325	C	S	.	.	S	Bend	trans	-159	-155.6	-178.7	0	0	0	0	0	111.7	Y422 Y499	Y422-G501 WeakPolarHBondContact CD1-O 3.2Å; Y499-G501 PolarHBondContact O-N 2.81Å
502	G	84.3	Confident	79	Confident	33 Å²	33	62.5 Å²	62.5	34%	0.34	35%	0.349	S	S	.	.			trans	71.4	-170.2	-176.9	0	0	0	0	0	112.7	G424	G424-G502 VanDerWaalsContact CA-O 3.26Å; G424-G502 WeakPolarHBondContact CA-O 3.47Å; G424-G502 PolarHBondContact N-O 3.43Å
503	T	83.1	Confident	78.5	Confident	25 Å²	25	65.6 Å²	65.6	15%	0.153	37%	0.37	C	S	.	.			trans	-142.7	149.2	-179	179.8	0	0	0	0	111.3	D425 R505 N508	D425-T503 WeakPolarHBondContact OD1-CB 3.46Å; D425-T503 PolarHBondContact OD1-OG1 2.91Å; D425-T503 VanDerWaalsContact OD2-CA 3.25Å; D425-T503 WeakPolarHBondContact OD2-CA 3.47Å; D425-T503 PolarHBondContact OD2-OG1 3.23Å; T503-R505 VanDerWaalsContact C-N 3.29Å; T503-R505 HydrophobicContact CG2-CB 4.04Å; T503-R505 HydrophobicContact CG2-CG 4.42Å; T503-R505 WeakPolarHBondContact OG1-CB 3.49Å; T503-R505 WeakPolarHBondContact OG1-CD 3.14Å; T503-R505 WeakPolarHBondContact OG1-CG 3.46Å; T503-R505 PolarHBondContact OG1-N 3.17Å; T503-R505 PolarHBondContact OG1-NE 3.36Å; T503-N508 HydrophobicContact CG2-CB 3.95Å; T503-N508 PolarHBondContact O-ND2 3.27Å
504	S	80.1	Confident	78.3	Confident	17 Å²	17	63.3 Å²	63.3	12%	0.119	37%	0.369	C	S	.	.			trans	-86.7	5.5	172.4	48.5	0	0	0	0	113.5	R404 D425 Y427	R404-S504 WeakPolarHBondContact CD-OG 3.29Å; R404-S504 PolarHBondContact NH1-O 2.76Å; R404-S504 PolarHBondContact NH1-OG 3.05Å; D425-S504 PolarHBondContact OD2-N 3.4Å; D425-S504 PolarHBondContact OD2-OG 2.88Å; Y427-S504 PolarHBondContact OH-OG 2.92Å
505	R	83.8	Confident	78.9	Confident	62 Å²	62	65.1 Å²	65.1	23%	0.234	38%	0.38	C	S	.	.			trans	-57.7	143.9	-180	-73.8	171.4	-136.6	-157.4	1.5	113.1	E406 D425 E455 T503 N507 N508	E406-R505 HydrophobicContact CG-CG 3.79Å; D425-R505 IonicContact OD1-CZ 2.73Å; D425-R505 IonicContact OD1-NE 3.31Å; D425-R505 PolarHBondContact OD1-NE 2.9Å; D425-R505 VanDerWaalsContact OD1-NE 3.16Å; D425-R505 IonicContact OD1-NH2 2.69Å; D425-R505 PolarHBondContact OD1-NH2 2.77Å; E455-R505 IonicContact OE1-CZ 2.97Å; E455-R505 IonicContact OE1-NH1 2.92Å; E455-R505 PolarHBondContact OE1-NH1 3.12Å; E455-R505 IonicContact OE1-NH2 3.88Å; E455-R505 PolarHBondContact OE1-NH2 3.14Å; E455-R505 IonicContact OE2-CZ 3.9Å; E455-R505 IonicContact OE2-NH2 3.73Å; E455-R505 PolarHBondContact OE2-NH2 2.78Å; T503-R505 VanDerWaalsContact C-N 3.29Å; T503-R505 HydrophobicContact CG2-CB 4.04Å; T503-R505 HydrophobicContact CG2-CG 4.42Å; T503-R505 WeakPolarHBondContact OG1-CB 3.49Å; T503-R505 WeakPolarHBondContact OG1-CD 3.14Å; T503-R505 WeakPolarHBondContact OG1-CG 3.46Å; T503-R505 PolarHBondContact OG1-N 3.17Å; T503-R505 PolarHBondContact OG1-NE 3.36Å; R505-N507 PolarHBondContact O-N 3.1Å; R505-N508 WeakPolarHBondContact O-CB 3.39Å; R505-N508 PolarHBondContact O-N 3.09Å
506	A	70.9	Confident	79.3	Confident	97 Å²	97	61.1 Å²	61.1	80%	0.802	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-28.6	-179.4	0	0	0	0	0	113.1
507	N	66	Low	79.5	Confident	149 Å²	149	61.1 Å²	61.1	80%	0.797	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	22.2	-179.2	-64.4	-18.1	0	0	0	113.3	R505 L509	R505-N507 PolarHBondContact O-N 3.1Å; N507-L509 PolarHBondContact O-N 3.33Å
508	N	66.4	Low	79.6	Confident	65 Å²	65	61.2 Å²	61.2	35%	0.348	37%	0.365	S	S	.	.			trans	-66.2	109	178.8	-169	-4.5	0	0	0	110.5	T503 R505 E510	T503-N508 HydrophobicContact CG2-CB 3.95Å; T503-N508 PolarHBondContact O-ND2 3.27Å; R505-N508 WeakPolarHBondContact O-CB 3.39Å; R505-N508 PolarHBondContact O-N 3.09Å; N508-E510 WeakPolarHBondContact OD1-CB 3.25Å; N508-E510 PolarHBondContact OD1-N 2.78Å
509	L	58	Low	79.6	Confident	173 Å²	173	62.8 Å²	62.8	91%	0.906	37%	0.373	S	S	*	.			trans	-86.5	-8.4	178.3	-70.6	163.1	0	0	0	112.5	N507	N507-L509 PolarHBondContact O-N 3.33Å
510	E	64.9	Low	79.5	Confident	145 Å²	145	62.1 Å²	62.1	68%	0.678	37%	0.37	S	S	*	.	S	Bend	trans	-79.8	123.9	-178.8	-64.1	-157.7	154.7	0	0	111.4	N508 A512	N508-E510 WeakPolarHBondContact OD1-CB 3.25Å; N508-E510 PolarHBondContact OD1-N 2.78Å; E510-A512 PolarHBondContact O-N 2.73Å
511	P	63.8	Low	79.2	Confident	120 Å²	120	61.6 Å²	61.6	78%	0.779	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-65.4	129.1	176.6	24.8	-30.3	0	0	0	110
512	A	68.9	Low	78.7	Confident	71 Å²	71	61.4 Å²	61.4	59%	0.587	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-55.6	135.2	174.6	0	0	0	0	0	110.5	E510 S514	E510-A512 PolarHBondContact O-N 2.73Å; A512-S514 PolarHBondContact O-N 3.3Å
513	P	77.3	Confident	77.8	Confident	78 Å²	78	64 Å²	64	51%	0.506	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-51.6	133.4	175.4	-27.9	31.6	0	0	0	111.7	T515 R516	P513-T515 PolarHBondContact O-N 3.44Å; P513-R516 HydrophobicContact CB-CG 4.04Å
514	S	81.2	Confident	77	Confident	69 Å²	69	63.8 Å²	63.8	48%	0.483	38%	0.377	S	S	.	.	S	Bend	trans	-64.6	-18.9	178.5	54.8	0	0	0	0	113.1	A512 T550 Q551	A512-S514 PolarHBondContact O-N 3.3Å; S514-T550 CarbonylContact O-C 3.55Å; S514-Q551 VanDerWaalsContact CB-NE2 3.31Å; S514-Q551 PolarHBondContact O-N 2.84Å
515	T	89.6	Confident	76.4	Confident	39 Å²	39	65.4 Å²	65.4	24%	0.239	39%	0.392	C	S	.	.			trans	-139	128.9	178	-58.2	0	0	0	0	109.7	P513 A535 L548 K549 T550	P513-T515 PolarHBondContact O-N 3.44Å; T515-A535 HydrophobicContact CG2-CB 4.02Å; T515-L548 HydrophobicContact CG2-CD1 3.62Å; T515-K549 CarbonylContact C-O 3.59Å; T515-K549 VanDerWaalsContact CA-O 3.23Å; T515-K549 WeakPolarHBondContact CA-O 3.31Å; T515-T550 HydrophobicContact CG2-CG2 4.22Å
516	R	91.6	Very high	75.6	Confident	37 Å²	37	64.6 Å²	64.6	14%	0.14	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	138.4	-178.4	-63.9	177.6	176.2	-131.1	15.2	109.6	Y499 P513 F518 E532 L548 K549	Y499-R516 VanDerWaalsContact CD1-NH1 3.34Å; P513-R516 HydrophobicContact CB-CG 4.04Å; R516-F518 HydrophobicContact CB-CE2 3.64Å; R516-F518 HydrophobicContact CB-CZ 4.08Å; R516-E532 WeakPolarHBondContact CD-OE1 3.24Å; R516-E532 VanDerWaalsContact CG-OE1 3.24Å; R516-E532 WeakPolarHBondContact CG-OE1 3.22Å; R516-E532 IonicContact CZ-OE1 2.72Å; R516-E532 IonicContact NE-OE1 3.64Å; R516-E532 IonicContact NH1-OE1 3.29Å; R516-E532 PolarHBondContact NH1-OE1 3.02Å; R516-E532 IonicContact NH1-OE2 2.73Å; R516-L548 CarbonylContact O-C 3.54Å; R516-L548 WeakPolarHBondContact O-CA 3.33Å; R516-K549 PolarHBondContact N-O 3.21Å; R516-K549 PolarHBondContact O-N 2.96Å
517	L	93.8	Very high	75.8	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	129.2	179.4	-178.9	64.7	0	0	0	108.6	E532 V533 A535 L540 F546 V547 L548 L598	L517-E532 WeakPolarHBondContact O-CA 3.18Å; L517-V533 HydrophobicContact CB-CG2 4.08Å; L517-V533 HydrophobicContact CD2-CG2 3.73Å; L517-V533 HydrophobicContact CG-CG2 3.67Å; L517-V533 PolarHBondContact O-N 2.85Å; L517-A535 HydrophobicContact CB-CB 4.06Å; L517-L540 HydrophobicContact CD2-CD2 4.4Å; L517-F546 HydrophobicContact CD1-CB 3.97Å; L517-F546 HydrophobicContact CD1-CD1 3.92Å; L517-F546 HydrophobicContact CD1-CG 4.4Å; L517-F546 HydrophobicContact CD2-CD1 4.2Å; L517-F546 HydrophobicContact CG-CD1 3.99Å; L517-V547 CarbonylContact C-O 3.52Å; L517-V547 WeakPolarHBondContact CA-O 3.44Å; L517-L548 HydrophobicContact CB-CD1 4.23Å; L517-L548 HydrophobicContact CD1-CB 3.92Å; L517-L548 HydrophobicContact CD1-CD1 4.17Å; L517-L598 HydrophobicContact CD1-CD2 4.45Å; L517-L598 HydrophobicContact CD2-CD2 3.97Å
518	F	93.1	Very high	76.4	Confident	2 Å²	2	55 Å²	55	1%	0.009	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	129.2	177.4	-60.6	-92.1	0	0	0	109.5	V497 Y499 R516 F531 E532 F546 V547 I577	V497-F518 HydrophobicContact CG1-CD1 4.22Å; V497-F518 HydrophobicContact CG1-CE1 4.01Å; Y499-F518 AromaticContact CD1-CE1 3.73Å; Y499-F518 HydrophobicContact CD1-CE1 3.73Å; Y499-F518 AromaticContact CD1-CZ 3.94Å; Y499-F518 HydrophobicContact CD1-CZ 3.94Å; Y499-F518 AromaticContact CE1-CE1 3.67Å; Y499-F518 HydrophobicContact CE1-CE1 3.67Å; Y499-F518 AromaticContact CE1-CZ 3.66Å; Y499-F518 HydrophobicContact CE1-CZ 3.66Å; R516-F518 HydrophobicContact CB-CE2 3.64Å; R516-F518 HydrophobicContact CB-CZ 4.08Å; F518-F531 CarbonylContact C-O 3.46Å; F518-F531 WeakPolarHBondContact CA-O 3.5Å; F518-E532 HydrophobicContact CD1-CB 3.79Å; F518-E532 HydrophobicContact CD1-CG 4.31Å; F518-E532 HydrophobicContact CE1-CB 3.6Å; F518-E532 HydrophobicContact CE1-CG 3.9Å; F518-E532 HydrophobicContact CZ-CB 4.37Å; F518-E532 HydrophobicContact CZ-CG 4.17Å; F518-F546 CarbonylContact O-C 3.46Å; F518-F546 WeakPolarHBondContact O-CA 3.2Å; F518-V547 HydrophobicContact CB-CB 4.29Å; F518-V547 PolarHBondContact N-O 2.88Å; F518-V547 PolarHBondContact O-N 3.27Å; F518-I577 HydrophobicContact CD2-CD1 3.57Å; F518-I577 HydrophobicContact CE2-CD1 3.66Å; F518-I577 HydrophobicContact CG-CD1 4.32Å; F518-I577 HydrophobicContact CZ-CD1 4.46Å
519	Q	92.4	Very high	77.3	Confident	32 Å²	32	53.4 Å²	53.4	15%	0.15	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	125.1	169.8	-174	176.3	16.7	0	0	108.9	Q521 A530 F531 V533 D544 F546	Q519-Q521 HydrophobicContact CG-CG 3.94Å; Q519-A530 CarbonylContact O-C 3.53Å; Q519-A530 WeakPolarHBondContact O-CA 3.44Å; Q519-F531 PolarHBondContact N-O 3.41Å; Q519-F531 PolarHBondContact O-N 3.28Å; Q519-V533 HydrophobicContact CB-CG1 4.24Å; Q519-D544 HydrophobicContact CG-CB 4.36Å; Q519-D544 PolarHBondContact NE2-OD2 3.32Å; Q519-F546 HydrophobicContact CB-CD1 3.96Å; Q519-F546 HydrophobicContact CB-CE1 3.51Å; Q519-F546 HydrophobicContact CB-CZ 3.95Å; Q519-F546 HydrophobicContact CG-CD1 4.33Å; Q519-F546 HydrophobicContact CG-CE1 3.63Å; Q519-F546 HydrophobicContact CG-CE2 4.1Å; Q519-F546 HydrophobicContact CG-CZ 3.49Å; Q519-F546 VanDerWaalsContact CG-CZ 3.49Å
520	V	89.4	Confident	78.9	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	115.3	177.9	-175.2	0	0	0	0	107.9	T528 A530 V545 V547 M569 A570	V520-T528 HydrophobicContact CG1-CG2 3.86Å; V520-A530 HydrophobicContact CG2-CB 4.19Å; V520-V545 HydrophobicContact CB-CB 4.46Å; V520-V545 WeakPolarHBondContact CB-O 3.41Å; V520-V545 PolarHBondContact N-O 3.47Å; V520-V547 HydrophobicContact CG2-CG2 3.99Å; V520-M569 HydrophobicContact CG1-CB 4.37Å; V520-A570 HydrophobicContact CB-CB 4.3Å; V520-A570 HydrophobicContact CG1-CB 4.33Å; V520-A570 HydrophobicContact CG2-CB 3.96Å
521	Q	81.9	Confident	80.1	Confident	66 Å²	66	40.7 Å²	40.7	31%	0.308	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	136.8	179.2	-61	-170.8	-37.9	0	0	109.9	Q519 T528 K529 D544	Q519-Q521 HydrophobicContact CG-CG 3.94Å; Q521-T528 VanDerWaalsContact O-CA 3.25Å; Q521-T528 WeakPolarHBondContact O-CA 3.28Å; Q521-K529 PolarHBondContact N-O 2.79Å; Q521-K529 VanDerWaalsContact N-O 3.15Å; Q521-K529 PolarHBondContact O-N 3.29Å; Q521-K529 VanDerWaalsContact O-N 3.08Å; Q521-D544 PolarHBondContact NE2-OD2 3.07Å
522	G	72.2	Confident	81.5	Confident	9 Å²	9	35.8 Å²	35.8	9%	0.093	22%	0.219	C	C	.	.			trans	140.2	154.1	170.8	0	0	0	0	0	113.6	N527 E566	G522-N527 WeakPolarHBondContact CA-O 3.35Å; G522-E566 PolarHBondContact N-OE1 2.96Å; G522-E566 WeakPolarHBondContact O-CG 3.48Å
523	T	65.9	Low	82.6	Confident	89 Å²	89	33 Å²	33	55%	0.546	20%	0.195	S	C	.	.	S	Bend	trans	-106.1	6.1	-175.8	60.2	0	0	0	0	113.8	N527	T523-N527 PolarHBondContact N-ND2 3.03Å; T523-N527 PolarHBondContact N-OD1 2.96Å; T523-N527 PolarHBondContact OG1-ND2 3.31Å
524	G	66.4	Low	83.2	Confident	19 Å²	19	31.1 Å²	31.1	20%	0.196	18%	0.182	C	C	.	.	S	Bend	trans	-174.9	171	-175.6	0	0	0	0	0	113.3	N526 N527 T528	G524-N526 PolarHBondContact O-N 2.81Å; G524-N526 VanDerWaalsContact O-N 3.09Å; G524-N527 PolarHBondContact N-OD1 2.87Å; G524-N527 PolarHBondContact O-N 3.03Å; G524-N527 VanDerWaalsContact O-N 3.16Å; G524-N527 PolarHBondContact O-OD1 2.72Å; G524-T528 WeakPolarHBondContact O-CB 3.36Å; G524-T528 PolarHBondContact O-N 3.38Å; G524-T528 VanDerWaalsContact O-N 3.1Å; G524-T528 PolarHBondContact O-OG1 3.07Å
525	A	66.2	Low	83.7	Confident	52 Å²	52	29.2 Å²	29.2	43%	0.43	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-19.7	-175	0	0	0	0	0	114.4	G494	G494-A525 PolarHBondContact N-O 2.99Å; G494-A525 VanDerWaalsContact N-O 3.11Å
526	N	68.1	Low	83.9	Confident	45 Å²	45	35 Å²	35	24%	0.241	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-6.5	-179.5	62.7	-22.6	0	0	0	114.4	M392 P486 G524	M392-N526 HydrophobicContact CE-CB 4.3Å; M392-N526 HydrophobicContact SD-CB 4.42Å; P486-N526 CarbonylContact C-O 3.57Å; P486-N526 WeakPolarHBondContact CA-O 3.38Å; G524-N526 PolarHBondContact O-N 2.81Å; G524-N526 VanDerWaalsContact O-N 3.09Å
527	N	75.1	Confident	83.8	Confident	44 Å²	44	33.3 Å²	33.3	24%	0.235	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134.5	10.5	178.1	72	-8.9	0	0	0	113.5	G522 T523 G524	G522-N527 WeakPolarHBondContact CA-O 3.35Å; T523-N527 PolarHBondContact N-ND2 3.03Å; T523-N527 PolarHBondContact N-OD1 2.96Å; T523-N527 PolarHBondContact OG1-ND2 3.31Å; G524-N527 PolarHBondContact N-OD1 2.87Å; G524-N527 PolarHBondContact O-N 3.03Å; G524-N527 VanDerWaalsContact O-N 3.16Å; G524-N527 PolarHBondContact O-OD1 2.72Å
528	T	77.8	Confident	83.8	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.204	C	C	.	.			trans	-95.3	128.3	179.4	-54.3	0	0	0	0	112.4	V520 Q521 G524 M569	V520-T528 HydrophobicContact CG1-CG2 3.86Å; Q521-T528 VanDerWaalsContact O-CA 3.25Å; Q521-T528 WeakPolarHBondContact O-CA 3.28Å; G524-T528 WeakPolarHBondContact O-CB 3.36Å; G524-T528 PolarHBondContact O-N 3.38Å; G524-T528 VanDerWaalsContact O-N 3.1Å; G524-T528 PolarHBondContact O-OG1 3.07Å; T528-M569 HydrophobicContact CG2-CB 3.62Å; T528-M569 HydrophobicContact CG2-CG 3.83Å
529	K	86.7	Confident	83.7	Confident	31 Å²	31	41.1 Å²	41.1	14%	0.135	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	148.5	170	67.2	-175.6	-178.3	-170.4	0	111.2	G482 E484 M489 Q521	G482-K529 PolarHBondContact O-NZ 3.13Å; E484-K529 IonicContact OE2-NZ 3.48Å; E484-K529 PolarHBondContact OE2-NZ 3.09Å; M489-K529 HydrophobicContact SD-CB 4.03Å; M489-K529 HydrophobicContact SD-CD 3.91Å; M489-K529 HydrophobicContact SD-CG 4.16Å; Q521-K529 PolarHBondContact N-O 2.79Å; Q521-K529 VanDerWaalsContact N-O 3.15Å; Q521-K529 PolarHBondContact O-N 3.29Å; Q521-K529 VanDerWaalsContact O-N 3.08Å
530	A	90.2	Very high	83.6	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	122.1	169.6	0	0	0	0	0	109.9	M496 V497 V498 Q519 V520 V573	M496-A530 PolarHBondContact O-N 3.19Å; V497-A530 WeakPolarHBondContact CA-O 3.42Å; V497-A530 HydrophobicContact CG2-CB 4.42Å; V498-A530 PolarHBondContact N-O 3.18Å; Q519-A530 CarbonylContact O-C 3.53Å; Q519-A530 WeakPolarHBondContact O-CA 3.44Å; V520-A530 HydrophobicContact CG2-CB 4.19Å; A530-V573 HydrophobicContact CB-CB 4.36Å; A530-V573 HydrophobicContact CB-CG1 3.63Å; A530-V573 HydrophobicContact CB-CG2 3.86Å
531	F	90.8	Very high	83.7	Confident	51 Å²	51	41.3 Å²	41.3	22%	0.224	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	126.3	-179.7	-165.1	-89.8	0	0	0	110.4	M481 V498 F518 Q519 V533	M481-F531 HydrophobicContact CE-CE1 4.33Å; M481-F531 HydrophobicContact CE-CE2 3.51Å; M481-F531 HydrophobicContact CE-CZ 3.33Å; M481-F531 HydrophobicContact CG-CE2 3.96Å; M481-F531 HydrophobicContact CG-CZ 4.37Å; V498-F531 HydrophobicContact CB-CD2 3.84Å; V498-F531 HydrophobicContact CB-CE2 4.3Å; V498-F531 HydrophobicContact CG1-CD2 3.8Å; V498-F531 HydrophobicContact CG1-CE2 3.73Å; F518-F531 CarbonylContact C-O 3.46Å; F518-F531 WeakPolarHBondContact CA-O 3.5Å; Q519-F531 PolarHBondContact N-O 3.41Å; Q519-F531 PolarHBondContact O-N 3.28Å; F531-V533 HydrophobicContact CD1-CG1 4.07Å; F531-V533 PolarHBondContact O-N 2.98Å
532	E	92.3	Very high	84	Confident	17 Å²	17	38.5 Å²	38.5	8%	0.079	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	126.2	175.4	-169	172.4	-145.8	0	0	110.1	V498 Y499 Q500 R516 L517 F518	V498-E532 PolarHBondContact O-N 3.38Å; Y499-E532 VanDerWaalsContact CA-OE2 3.27Å; Y499-E532 WeakPolarHBondContact CA-OE2 3.33Å; Y499-E532 VanDerWaalsContact CB-OE2 3.3Å; Y499-E532 WeakPolarHBondContact CB-OE2 3.06Å; Y499-E532 WeakPolarHBondContact CD1-OE2 3.29Å; Q500-E532 HydrophobicContact CB-CB 4.25Å; Q500-E532 HydrophobicContact CB-CG 4.38Å; Q500-E532 PolarHBondContact N-OE2 3.29Å; R516-E532 WeakPolarHBondContact CD-OE1 3.24Å; R516-E532 VanDerWaalsContact CG-OE1 3.24Å; R516-E532 WeakPolarHBondContact CG-OE1 3.22Å; R516-E532 IonicContact CZ-OE1 2.72Å; R516-E532 IonicContact NE-OE1 3.64Å; R516-E532 IonicContact NH1-OE1 3.29Å; R516-E532 PolarHBondContact NH1-OE1 3.02Å; R516-E532 IonicContact NH1-OE2 2.73Å; L517-E532 WeakPolarHBondContact O-CA 3.18Å; F518-E532 HydrophobicContact CD1-CB 3.79Å; F518-E532 HydrophobicContact CD1-CG 4.31Å; F518-E532 HydrophobicContact CE1-CB 3.6Å; F518-E532 HydrophobicContact CE1-CG 3.9Å; F518-E532 HydrophobicContact CZ-CB 4.37Å; F518-E532 HydrophobicContact CZ-CG 4.17Å
533	V	91.7	Very high	84.6	Confident	13 Å²	13	39.2 Å²	39.2	8%	0.079	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	159.7	177.1	-65.3	0	0	0	0	109.3	L517 Q519 F531 A535 F539 F546	L517-V533 HydrophobicContact CB-CG2 4.08Å; L517-V533 HydrophobicContact CD2-CG2 3.73Å; L517-V533 HydrophobicContact CG-CG2 3.67Å; L517-V533 PolarHBondContact O-N 2.85Å; Q519-V533 HydrophobicContact CB-CG1 4.24Å; F531-V533 HydrophobicContact CD1-CG1 4.07Å; F531-V533 PolarHBondContact O-N 2.98Å; V533-A535 PolarHBondContact O-N 3.03Å; V533-F539 HydrophobicContact CB-CB 4.36Å; V533-F539 HydrophobicContact CB-CD1 4.3Å; V533-F539 HydrophobicContact CG2-CB 4.2Å; V533-F546 HydrophobicContact CG2-CE1 4.22Å
534	P	91.2	Very high	85.7	Confident	38 Å²	38	35 Å²	35	25%	0.247	19%	0.187	C	C	.	.			trans	-54	132.2	173.8	-26.7	35.9	0	0	0	111	R536 F539	P534-R536 PolarHBondContact O-N 3.06Å; P534-F539 HydrophobicContact CB-CD2 3.98Å; P534-F539 HydrophobicContact CB-CE2 3.72Å; P534-F539 HydrophobicContact CB-CZ 4.14Å; P534-F539 HydrophobicContact CG-CD2 4.32Å; P534-F539 HydrophobicContact CG-CE1 4.08Å; P534-F539 HydrophobicContact CG-CE2 3.81Å; P534-F539 HydrophobicContact CG-CZ 3.68Å
535	A	92	Very high	86.9	Confident	30 Å²	30	34.1 Å²	34.1	25%	0.248	18%	0.177	C	C	.	.	S	Bend	trans	-72.8	66.6	-178.6	0	0	0	0	0	112	T515 L517 V533 L598	T515-A535 HydrophobicContact CG2-CB 4.02Å; L517-A535 HydrophobicContact CB-CB 4.06Å; V533-A535 PolarHBondContact O-N 3.03Å; A535-L598 HydrophobicContact CB-CD2 4.39Å
536	R	92.2	Very high	88.2	Confident	159 Å²	159	31.7 Å²	31.7	60%	0.6	16%	0.157	S	C	*	.	S	Bend	trans	-134	146	179.6	-62.6	179.7	-179	168.7	1.3	110	P534 N538 F539 L598	P534-R536 PolarHBondContact O-N 3.06Å; R536-N538 WeakPolarHBondContact CB-OD1 3.22Å; R536-N538 PolarHBondContact O-N 3.11Å; R536-F539 HydrophobicContact CB-CD2 4.11Å; R536-F539 PolarHBondContact O-N 3.29Å; R536-L598 WeakPolarHBondContact CA-O 3.4Å
537	A	91.6	Very high	89.5	Confident	3 Å²	3	29.6 Å²	29.6	3%	0.025	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-60	-29.4	-175.6	0	0	0	0	0	114.4	F539 L540 W595 L598 G600 A602 Y604	A537-F539 PolarHBondContact O-N 3.08Å; A537-L540 WeakPolarHBondContact O-CB 3.47Å; A537-L540 PolarHBondContact O-N 2.96Å; A537-W595 HydrophobicContact CB-CE3 4.06Å; A537-W595 HydrophobicContact CB-CZ3 3.74Å; A537-L598 HydrophobicContact CB-CB 4.34Å; A537-L598 HydrophobicContact CB-CD1 4.49Å; A537-G600 VanDerWaalsContact CB-O 3.23Å; A537-G600 WeakPolarHBondContact CB-O 3.44Å; A537-A602 HydrophobicContact CB-CB 3.94Å; A537-Y604 WeakPolarHBondContact O-CB 3.29Å
538	N	91.8	Very high	90.4	Very high	84 Å²	84	27.5 Å²	27.5	45%	0.449	14%	0.135	S	C	.	.	G	3₁₀ helix	trans	-70.8	-13.5	-179.1	67.1	-34.6	0	0	0	114.5	R536 P603	R536-N538 WeakPolarHBondContact CB-OD1 3.22Å; R536-N538 PolarHBondContact O-N 3.11Å; N538-P603 WeakPolarHBondContact CA-O 3.37Å
539	F	90.9	Very high	91	Very high	82 Å²	82	31 Å²	31	36%	0.36	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	-87.7	-4.1	174.7	-75.2	-89.8	0	0	0	113.2	V533 P534 R536 A537 F546	V533-F539 HydrophobicContact CB-CB 4.36Å; V533-F539 HydrophobicContact CB-CD1 4.3Å; V533-F539 HydrophobicContact CG2-CB 4.2Å; P534-F539 HydrophobicContact CB-CD2 3.98Å; P534-F539 HydrophobicContact CB-CE2 3.72Å; P534-F539 HydrophobicContact CB-CZ 4.14Å; P534-F539 HydrophobicContact CG-CD2 4.32Å; P534-F539 HydrophobicContact CG-CE1 4.08Å; P534-F539 HydrophobicContact CG-CE2 3.81Å; P534-F539 HydrophobicContact CG-CZ 3.68Å; R536-F539 HydrophobicContact CB-CD2 4.11Å; R536-F539 PolarHBondContact O-N 3.29Å; A537-F539 PolarHBondContact O-N 3.08Å; F539-F546 VanDerWaalsContact O-CE1 3.23Å; F539-F546 WeakPolarHBondContact O-CE1 3Å; F539-F546 WeakPolarHBondContact O-CZ 3.31Å
540	L	92.3	Very high	91.1	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.01	15%	0.148	C	C	.	.			trans	-66.4	155.8	171.8	-65.7	176.5	0	0	0	111	L517 A537 F546 W557 F594 W595 L598 Y604 A605	L517-L540 HydrophobicContact CD2-CD2 4.4Å; A537-L540 WeakPolarHBondContact O-CB 3.47Å; A537-L540 PolarHBondContact O-N 2.96Å; L540-F546 HydrophobicContact CD2-CB 3.95Å; L540-F546 HydrophobicContact CD2-CD1 3.76Å; L540-F546 HydrophobicContact CD2-CD2 3.87Å; L540-F546 HydrophobicContact CD2-CE1 4.17Å; L540-F546 HydrophobicContact CD2-CE2 4.29Å; L540-F546 HydrophobicContact CD2-CG 3.58Å; L540-F546 HydrophobicContact CD2-CZ 4.42Å; L540-W557 HydrophobicContact CB-CH2 4.22Å; L540-W557 HydrophobicContact CB-CZ3 4.34Å; L540-W557 HydrophobicContact CD1-CD2 4.44Å; L540-W557 HydrophobicContact CD1-CZ2 4.27Å; L540-W557 HydrophobicContact CD2-CD2 4.23Å; L540-W557 HydrophobicContact CD2-CE3 4Å; L540-W557 HydrophobicContact CD2-CZ3 4.3Å; L540-F594 HydrophobicContact CD1-CE1 4.19Å; L540-F594 HydrophobicContact CD1-CZ 4.18Å; L540-W595 HydrophobicContact CD1-CH2 4.01Å; L540-W595 HydrophobicContact CD1-CZ3 3.9Å; L540-L598 HydrophobicContact CD1-CD1 4.07Å; L540-Y604 HydrophobicContact CB-CD1 4.27Å; L540-Y604 HydrophobicContact CB-CD2 4.08Å; L540-Y604 HydrophobicContact CB-CG 3.86Å; L540-Y604 HydrophobicContact CD1-CD1 4.46Å; L540-Y604 WeakPolarHBondContact O-CB 3.28Å; L540-A605 PolarHBondContact O-N 2.99Å
541	N	89.8	Confident	90.8	Very high	33 Å²	33	38 Å²	38	18%	0.176	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-143.8	122	176.2	-172.5	-27.3	0	0	0	109.3	N543 D544 F546 W557 A605	N541-N543 PolarHBondContact O-N 3.32Å; N541-N543 WeakPolarHBondContact OD1-CB 3.33Å; N541-N543 PolarHBondContact OD1-N 3.21Å; N541-N543 PolarHBondContact OD1-ND2 3.25Å; N541-D544 PolarHBondContact O-N 3.2Å; N541-D544 VanDerWaalsContact O-N 3.09Å; N541-F546 HydrophobicContact CB-CE2 4.03Å; N541-F546 HydrophobicContact CB-CZ 4.08Å; N541-W557 WeakPolarHBondContact O-CZ3 3.25Å; N541-A605 CarbonylContact C-O 3.58Å; N541-A605 WeakPolarHBondContact CA-O 3.41Å
542	S	89.6	Confident	90.4	Very high	7 Å²	7	40.5 Å²	40.5	5%	0.049	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-16.5	-179.6	-58.8	0	0	0	0	113.5	G559 K560 G561 E587 A605 N606	S542-G559 CarbonylContact O-C 3.53Å; S542-G559 VanDerWaalsContact O-CA 3.26Å; S542-G559 WeakPolarHBondContact O-CA 3.49Å; S542-K560 PolarHBondContact O-N 3.34Å; S542-K560 VanDerWaalsContact O-N 3.14Å; S542-G561 WeakPolarHBondContact O-CA 3.36Å; S542-G561 PolarHBondContact O-N 3.46Å; S542-E587 WeakPolarHBondContact CA-OE2 3.36Å; S542-E587 WeakPolarHBondContact CB-OE2 3.33Å; S542-E587 VanDerWaalsContact OG-CD 3.24Å; S542-E587 PolarHBondContact OG-OE1 2.95Å; S542-E587 PolarHBondContact OG-OE2 2.95Å; S542-E587 VanDerWaalsContact OG-OE2 3.1Å; S542-A605 PolarHBondContact N-O 2.79Å; S542-N606 WeakPolarHBondContact OG-CA 3.47Å; S542-N606 VanDerWaalsContact OG-CB 3.25Å; S542-N606 WeakPolarHBondContact OG-CB 3.45Å
543	N	85.1	Confident	90.1	Very high	24 Å²	24	40.6 Å²	40.6	13%	0.128	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-13.6	179.9	-57.9	-75.9	0	0	0	114.1	N541 G561 C562 T607 R609	N541-N543 PolarHBondContact O-N 3.32Å; N541-N543 WeakPolarHBondContact OD1-CB 3.33Å; N541-N543 PolarHBondContact OD1-N 3.21Å; N541-N543 PolarHBondContact OD1-ND2 3.25Å; N543-G561 CarbonylContact O-C 3.49Å; N543-C562 WeakPolarHBondContact O-CA 3.46Å; N543-C562 PolarHBondContact O-N 3.14Å; N543-T607 PolarHBondContact ND2-O 3.49Å; N543-R609 HydrophobicContact CB-CB 4.37Å; N543-R609 PolarHBondContact OD1-N 3.2Å
544	D	88.3	Confident	90.2	Very high	2 Å²	2	40 Å²	40	1%	0.011	21%	0.207	C	C	.	.	S	Bend	trans	-123.4	175.1	-169.6	-54.3	-29.4	0	0	0	111.8	Q519 Q521 N541 F546 G559	Q519-D544 HydrophobicContact CG-CB 4.36Å; Q519-D544 PolarHBondContact NE2-OD2 3.32Å; Q521-D544 PolarHBondContact NE2-OD2 3.07Å; N541-D544 PolarHBondContact O-N 3.2Å; N541-D544 VanDerWaalsContact O-N 3.09Å; D544-F546 HydrophobicContact CB-CE2 4.01Å; D544-G559 PolarHBondContact O-N 3.24Å
545	V	91.9	Very high	90.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	139.5	172.7	-175.1	0	0	0	0	109.6	V520 W557 C562 E566 R567 A570	V520-V545 HydrophobicContact CB-CB 4.46Å; V520-V545 WeakPolarHBondContact CB-O 3.41Å; V520-V545 PolarHBondContact N-O 3.47Å; V545-W557 WeakPolarHBondContact CA-O 3.22Å; V545-W557 WeakPolarHBondContact CG1-O 3.41Å; V545-C562 HydrophobicContact CG2-CB 3.55Å; V545-E566 HydrophobicContact CB-CB 4.4Å; V545-E566 HydrophobicContact CG2-CB 3.67Å; V545-R567 HydrophobicContact CG2-CG 3.69Å; V545-A570 HydrophobicContact CB-CB 4.04Å; V545-A570 HydrophobicContact CG1-CB 3.36Å
546	F	94	Very high	90.4	Very high	1 Å²	1	37.6 Å²	37.6	0%	0.004	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	140.4	179.7	-72.8	-104.1	0	0	0	111.7	L517 F518 Q519 V533 F539 L540 N541 D544 L556 W557	L517-F546 HydrophobicContact CD1-CB 3.97Å; L517-F546 HydrophobicContact CD1-CD1 3.92Å; L517-F546 HydrophobicContact CD1-CG 4.4Å; L517-F546 HydrophobicContact CD2-CD1 4.2Å; L517-F546 HydrophobicContact CG-CD1 3.99Å; F518-F546 CarbonylContact O-C 3.46Å; F518-F546 WeakPolarHBondContact O-CA 3.2Å; Q519-F546 HydrophobicContact CB-CD1 3.96Å; Q519-F546 HydrophobicContact CB-CE1 3.51Å; Q519-F546 HydrophobicContact CB-CZ 3.95Å; Q519-F546 HydrophobicContact CG-CD1 4.33Å; Q519-F546 HydrophobicContact CG-CE1 3.63Å; Q519-F546 HydrophobicContact CG-CE2 4.1Å; Q519-F546 HydrophobicContact CG-CZ 3.49Å; Q519-F546 VanDerWaalsContact CG-CZ 3.49Å; V533-F546 HydrophobicContact CG2-CE1 4.22Å; F539-F546 VanDerWaalsContact O-CE1 3.23Å; F539-F546 WeakPolarHBondContact O-CE1 3Å; F539-F546 WeakPolarHBondContact O-CZ 3.31Å; L540-F546 HydrophobicContact CD2-CB 3.95Å; L540-F546 HydrophobicContact CD2-CD1 3.76Å; L540-F546 HydrophobicContact CD2-CD2 3.87Å; L540-F546 HydrophobicContact CD2-CE1 4.17Å; L540-F546 HydrophobicContact CD2-CE2 4.29Å; L540-F546 HydrophobicContact CD2-CG 3.58Å; L540-F546 HydrophobicContact CD2-CZ 4.42Å; N541-F546 HydrophobicContact CB-CE2 4.03Å; N541-F546 HydrophobicContact CB-CZ 4.08Å; D544-F546 HydrophobicContact CB-CE2 4.01Å; F546-L556 CarbonylContact O-C 3.17Å; F546-L556 WeakPolarHBondContact O-CA 3.5Å; F546-W557 HydrophobicContact CB-CB 4.33Å; F546-W557 HydrophobicContact CB-CE3 4.25Å; F546-W557 AromaticContact CD2-CE3 3.64Å; F546-W557 HydrophobicContact CD2-CE3 3.64Å; F546-W557 AromaticContact CD2-CZ3 3.75Å; F546-W557 HydrophobicContact CD2-CZ3 3.75Å; F546-W557 HydrophobicContact CE2-CE3 4.44Å; F546-W557 HydrophobicContact CE2-CZ3 4.1Å; F546-W557 HydrophobicContact CG-CE3 4.3Å; F546-W557 PolarHBondContact N-O 2.77Å; F546-W557 PolarHBondContact O-N 3.01Å
547	V	93.8	Very high	90.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	110.9	173.3	-169.1	0	0	0	0	109.1	L517 F518 V520 C554 Y555 A570 A574 I577	L517-V547 CarbonylContact C-O 3.52Å; L517-V547 WeakPolarHBondContact CA-O 3.44Å; F518-V547 HydrophobicContact CB-CB 4.29Å; F518-V547 PolarHBondContact N-O 2.88Å; F518-V547 PolarHBondContact O-N 3.27Å; V520-V547 HydrophobicContact CG2-CG2 3.99Å; V547-C554 VanDerWaalsContact CG1-SG 3.54Å; V547-Y555 CarbonylContact C-O 3.53Å; V547-Y555 WeakPolarHBondContact CA-O 3.12Å; V547-A570 HydrophobicContact CG2-CB 4.09Å; V547-A574 HydrophobicContact CG1-CB 3.84Å; V547-A574 HydrophobicContact CG2-CB 4.49Å; V547-I577 HydrophobicContact CB-CD1 4.3Å; V547-I577 HydrophobicContact CG1-CD1 3.71Å
548	L	93.8	Very high	90.5	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	104.1	177.2	177.1	62.9	0	0	0	109.5	T515 R516 L517 T550 C554 Y555 F594 A597 L598	T515-L548 HydrophobicContact CG2-CD1 3.62Å; R516-L548 CarbonylContact O-C 3.54Å; R516-L548 WeakPolarHBondContact O-CA 3.33Å; L517-L548 HydrophobicContact CB-CD1 4.23Å; L517-L548 HydrophobicContact CD1-CB 3.92Å; L517-L548 HydrophobicContact CD1-CD1 4.17Å; L548-T550 HydrophobicContact CG-CG2 4.21Å; L548-C554 CarbonylContact O-C 3.59Å; L548-C554 WeakPolarHBondContact O-CA 3.42Å; L548-Y555 HydrophobicContact CB-CD2 4.36Å; L548-Y555 HydrophobicContact CD2-CD2 4Å; L548-Y555 HydrophobicContact CG-CD2 4.2Å; L548-Y555 PolarHBondContact N-O 2.94Å; L548-Y555 PolarHBondContact O-N 2.84Å; L548-F594 HydrophobicContact CB-CE2 4.3Å; L548-F594 HydrophobicContact CD2-CD2 3.66Å; L548-F594 HydrophobicContact CD2-CE2 3.7Å; L548-F594 HydrophobicContact CD2-CG 4.46Å; L548-A597 HydrophobicContact CD2-CB 4.04Å; L548-L598 HydrophobicContact CD1-CD2 3.77Å; L548-L598 HydrophobicContact CD2-CD1 4.4Å; L548-L598 HydrophobicContact CD2-CD2 3.94Å; L548-L598 HydrophobicContact CD2-CG 3.88Å; L548-L598 HydrophobicContact CG-CD2 4.47Å
549	K	91.1	Very high	90.5	Very high	73 Å²	73	26.6 Å²	26.6	32%	0.317	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	125.2	173.7	179.2	-177.6	178.1	171.6	0	109.5	T515 R516 I577	T515-K549 CarbonylContact C-O 3.59Å; T515-K549 VanDerWaalsContact CA-O 3.23Å; T515-K549 WeakPolarHBondContact CA-O 3.31Å; R516-K549 PolarHBondContact N-O 3.21Å; R516-K549 PolarHBondContact O-N 2.96Å; K549-I577 PolarHBondContact NZ-O 3.22Å
550	T	88.9	Confident	90.3	Very high	16 Å²	16	30.3 Å²	30.3	10%	0.098	16%	0.157	C	C	.	.			trans	-118.6	179.4	170.3	69.4	0	0	0	0	110.1	S514 T515 L548 S552 C553 Y555 A597	S514-T550 CarbonylContact O-C 3.55Å; T515-T550 HydrophobicContact CG2-CG2 4.22Å; L548-T550 HydrophobicContact CG-CG2 4.21Å; T550-S552 VanDerWaalsContact C-N 3.29Å; T550-S552 PolarHBondContact O-N 3.46Å; T550-S552 PolarHBondContact OG1-N 2.77Å; T550-C553 PolarHBondContact N-O 3.07Å; T550-C553 PolarHBondContact OG1-N 3.3Å; T550-C553 PolarHBondContact OG1-O 2.9Å; T550-Y555 HydrophobicContact CG2-CD2 4.4Å; T550-Y555 HydrophobicContact CG2-CE2 4.06Å; T550-A597 HydrophobicContact CG2-CB 3.79Å
551	Q	84.4	Confident	89.8	Confident	163 Å²	163	32.4 Å²	32.4	76%	0.762	18%	0.179	S	C	*	.	S	Bend	trans	-65.5	-31	175.2	-70.2	179.4	-4.8	0	0	113.2	S514	S514-Q551 VanDerWaalsContact CB-NE2 3.31Å; S514-Q551 PolarHBondContact O-N 2.84Å
552	S	81.8	Confident	89.5	Confident	102 Å²	102	31.8 Å²	31.8	71%	0.713	18%	0.177	S	C	*	.	S	Bend	trans	-107.3	-27.5	-171.7	56.9	0	0	0	0	114.1	T550	T550-S552 VanDerWaalsContact C-N 3.29Å; T550-S552 PolarHBondContact O-N 3.46Å; T550-S552 PolarHBondContact OG1-N 2.77Å
553	C	87.1	Confident	89.1	Confident	20 Å²	20	33 Å²	33	14%	0.135	19%	0.186	C	C	.	.			trans	-148.6	155.6	-173.7	-170.3	0	0	0	0	111.8	T550 Y555	T550-C553 PolarHBondContact N-O 3.07Å; T550-C553 PolarHBondContact OG1-N 3.3Å; T550-C553 PolarHBondContact OG1-O 2.9Å; C553-Y555 HydrophobicContact CB-CE2 4.11Å
554	C	91.9	Very high	88.8	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	118.6	168.6	-170.7	0	0	0	0	108.7	V547 L548 T580 E581 K582 Q583	V547-C554 VanDerWaalsContact CG1-SG 3.54Å; L548-C554 CarbonylContact O-C 3.59Å; L548-C554 WeakPolarHBondContact O-CA 3.42Å; C554-T580 WeakPolarHBondContact CB-OG1 3.35Å; C554-T580 PolarHBondContact N-OG1 2.81Å; C554-E581 PolarHBondContact N-O 2.82Å; C554-K582 HydrophobicContact CB-CG 4.39Å; C554-K582 CarbonylContact O-C 3.59Å; C554-K582 VanDerWaalsContact O-CA 3.3Å; C554-K582 WeakPolarHBondContact O-CA 3.13Å; C554-Q583 PolarHBondContact O-N 3.29Å
555	Y	93.5	Very high	88.2	Confident	13 Å²	13	38.1 Å²	38.1	5%	0.051	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	133.8	177.9	-54.4	-90.4	0	0	0	110.4	V547 L548 T550 C553 Q583 V585 P591 F594	V547-Y555 CarbonylContact C-O 3.53Å; V547-Y555 WeakPolarHBondContact CA-O 3.12Å; L548-Y555 HydrophobicContact CB-CD2 4.36Å; L548-Y555 HydrophobicContact CD2-CD2 4Å; L548-Y555 HydrophobicContact CG-CD2 4.2Å; L548-Y555 PolarHBondContact N-O 2.94Å; L548-Y555 PolarHBondContact O-N 2.84Å; T550-Y555 HydrophobicContact CG2-CD2 4.4Å; T550-Y555 HydrophobicContact CG2-CE2 4.06Å; C553-Y555 HydrophobicContact CB-CE2 4.11Å; Y555-Q583 CarbonylContact C-O 3.38Å; Y555-Q583 WeakPolarHBondContact CA-O 3.37Å; Y555-Q583 HydrophobicContact CD1-CB 4.04Å; Y555-Q583 HydrophobicContact CD1-CG 4.37Å; Y555-Q583 HydrophobicContact CE1-CB 4.47Å; Y555-V585 HydrophobicContact CD1-CG2 3.79Å; Y555-V585 HydrophobicContact CG-CG2 4.5Å; Y555-P591 HydrophobicContact CE1-CG 4.1Å; Y555-F594 HydrophobicContact CD1-CD2 4.22Å; Y555-F594 HydrophobicContact CD2-CD2 4.18Å; Y555-F594 HydrophobicContact CE1-CB 4.39Å; Y555-F594 AromaticContact CG-CD2 3.85Å; Y555-F594 HydrophobicContact CG-CD2 3.85Å
556	L	93.8	Very high	87.8	Confident	5 Å²	5	38.6 Å²	38.6	3%	0.026	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	97.3	165.2	-82.9	81.3	0	0	0	108.7	F546 A570 K571 A574 K582 Q583 V585	F546-L556 CarbonylContact O-C 3.17Å; F546-L556 WeakPolarHBondContact O-CA 3.5Å; L556-A570 HydrophobicContact CD2-CB 4.05Å; L556-K571 HydrophobicContact CD2-CB 4.38Å; L556-K571 HydrophobicContact CD2-CG 3.68Å; L556-A574 HydrophobicContact CD1-CB 3.76Å; L556-A574 HydrophobicContact CG-CB 4.44Å; L556-K582 HydrophobicContact CD1-CB 3.91Å; L556-K582 HydrophobicContact CD1-CD 4.35Å; L556-K582 HydrophobicContact CD1-CG 4.18Å; L556-Q583 PolarHBondContact N-O 3.05Å; L556-V585 PolarHBondContact O-N 3.02Å
557	W	94.9	Very high	87.3	Confident	1 Å²	1	44.1 Å²	44.1	0%	0.004	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	118.4	177.4	-176.6	91.1	0	0	0	110.2	L540 N541 V545 F546 V585 E587 E590 F594 Y604	L540-W557 HydrophobicContact CB-CH2 4.22Å; L540-W557 HydrophobicContact CB-CZ3 4.34Å; L540-W557 HydrophobicContact CD1-CD2 4.44Å; L540-W557 HydrophobicContact CD1-CZ2 4.27Å; L540-W557 HydrophobicContact CD2-CD2 4.23Å; L540-W557 HydrophobicContact CD2-CE3 4Å; L540-W557 HydrophobicContact CD2-CZ3 4.3Å; N541-W557 WeakPolarHBondContact O-CZ3 3.25Å; V545-W557 WeakPolarHBondContact CA-O 3.22Å; V545-W557 WeakPolarHBondContact CG1-O 3.41Å; F546-W557 HydrophobicContact CB-CB 4.33Å; F546-W557 HydrophobicContact CB-CE3 4.25Å; F546-W557 AromaticContact CD2-CE3 3.64Å; F546-W557 HydrophobicContact CD2-CE3 3.64Å; F546-W557 AromaticContact CD2-CZ3 3.75Å; F546-W557 HydrophobicContact CD2-CZ3 3.75Å; F546-W557 HydrophobicContact CE2-CE3 4.44Å; F546-W557 HydrophobicContact CE2-CZ3 4.1Å; F546-W557 HydrophobicContact CG-CE3 4.3Å; F546-W557 PolarHBondContact N-O 2.77Å; F546-W557 PolarHBondContact O-N 3.01Å; W557-V585 CarbonylContact C-O 3.45Å; W557-V585 VanDerWaalsContact CA-O 3.32Å; W557-V585 WeakPolarHBondContact CA-O 3.28Å; W557-E587 HydrophobicContact CH2-CB 4.31Å; W557-E587 HydrophobicContact CH2-CG 4.34Å; W557-E587 HydrophobicContact CZ2-CB 3.65Å; W557-E587 HydrophobicContact CZ2-CG 3.69Å; W557-E590 PolarHBondContact NE1-OE1 3.47Å; W557-F594 HydrophobicContact CB-CE2 3.87Å; W557-F594 HydrophobicContact CB-CZ 3.84Å; W557-F594 AromaticContact CD1-CE1 3.83Å; W557-F594 AromaticContact CD1-CZ 3.46Å; W557-F594 VanDerWaalsContact CD1-CZ 3.46Å; W557-F594 HydrophobicContact CG-CE1 4.47Å; W557-F594 HydrophobicContact CG-CE2 4.21Å; W557-F594 AromaticContact CG-CZ 3.72Å; W557-F594 HydrophobicContact CG-CZ 3.72Å; W557-Y604 HydrophobicContact CH2-CE2 4.04Å; W557-Y604 HydrophobicContact CZ2-CE2 4.09Å
558	C	92.8	Very high	86.8	Confident	10 Å²	10	48.5 Å²	48.5	7%	0.068	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	111	-179.2	-56.2	0	0	0	0	109.8	V585 E587	C558-V585 PolarHBondContact N-O 3.03Å; C558-E587 WeakPolarHBondContact O-CB 3.36Å; C558-E587 PolarHBondContact O-N 3.34Å
559	G	90.3	Very high	86.2	Confident	4 Å²	4	50.2 Å²	50.2	4%	0.041	28%	0.275	C	S	.	.			trans	-63.1	153.6	171.3	0	0	0	0	0	112.2	S542 D544 G561 C562 E587	S542-G559 CarbonylContact O-C 3.53Å; S542-G559 VanDerWaalsContact O-CA 3.26Å; S542-G559 WeakPolarHBondContact O-CA 3.49Å; D544-G559 PolarHBondContact O-N 3.24Å; G559-G561 PolarHBondContact O-N 3.03Å; G559-C562 PolarHBondContact O-N 3.4Å; G559-C562 PolarHBondContact O-SG 2.88Å; G559-E587 WeakPolarHBondContact CA-OE2 3.22Å
560	K	88.3	Confident	85.9	Confident	159 Å²	159	46.7 Å²	46.7	69%	0.691	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-26.6	179.7	-76.3	170.1	-176.7	166.5	0	113.9	S542 E587	S542-K560 PolarHBondContact O-N 3.34Å; S542-K560 VanDerWaalsContact O-N 3.14Å; K560-E587 WeakPolarHBondContact CB-OE2 3.49Å; K560-E587 HydrophobicContact CD-CG 4.25Å; K560-E587 HydrophobicContact CG-CB 4.09Å; K560-E587 HydrophobicContact CG-CG 4.14Å; K560-E587 WeakPolarHBondContact CG-OE2 3.19Å; K560-E587 PolarHBondContact N-OE2 2.97Å
561	G	81.1	Confident	85.8	Confident	46 Å²	46	50.1 Å²	50.1	47%	0.474	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-1.8	-179.6	0	0	0	0	0	114.7	S542 N543 G559	S542-G561 WeakPolarHBondContact O-CA 3.36Å; S542-G561 PolarHBondContact O-N 3.46Å; N543-G561 CarbonylContact O-C 3.49Å; G559-G561 PolarHBondContact O-N 3.03Å
562	C	83	Confident	85.7	Confident	20 Å²	20	45.9 Å²	45.9	14%	0.135	25%	0.254	C	S	.	.			trans	-68.1	150.8	-178.8	74.9	0	0	0	0	112.9	N543 V545 G559 E566	N543-C562 WeakPolarHBondContact O-CA 3.46Å; N543-C562 PolarHBondContact O-N 3.14Å; V545-C562 HydrophobicContact CG2-CB 3.55Å; G559-C562 PolarHBondContact O-N 3.4Å; G559-C562 PolarHBondContact O-SG 2.88Å; C562-E566 WeakPolarHBondContact CA-OE2 3.23Å
563	S	80.8	Confident	85.7	Confident	33 Å²	33	41 Å²	41	23%	0.231	22%	0.22	C	C	.	.			trans	-83.7	167	177.8	68.1	0	0	0	0	112.8	D565 E566 R567	S563-D565 VanDerWaalsContact C-N 3.29Å; S563-E566 PolarHBondContact N-OE2 2.78Å; S563-E566 VanDerWaalsContact OG-CG 3.22Å; S563-E566 WeakPolarHBondContact OG-CG 3.27Å; S563-E566 PolarHBondContact OG-N 3.43Å; S563-E566 PolarHBondContact OG-OE2 3.22Å; S563-R567 PolarHBondContact O-NE 3.47Å
564	G	78.6	Confident	85.6	Confident	43 Å²	43	40 Å²	40	44%	0.443	21%	0.214	S	C	.	.	H	α-helix	trans	-62.5	-39	170.9	0	0	0	0	0	112.3	R567 E568	G564-R567 PolarHBondContact O-N 2.99Å; G564-E568 PolarHBondContact O-N 3.31Å
565	D	77.1	Confident	85.3	Confident	91 Å²	91	44.5 Å²	44.5	49%	0.487	24%	0.237	S	C	.	.	H	α-helix	trans	-69.3	-42.3	-176.1	-56.4	-45.8	0	0	0	111.5	S563 R567 E568 M569	S563-D565 VanDerWaalsContact C-N 3.29Å; D565-R567 VanDerWaalsContact C-N 3.25Å; D565-R567 PolarHBondContact O-N 2.69Å; D565-E568 PolarHBondContact O-N 3.41Å; D565-E568 VanDerWaalsContact O-N 3.16Å; D565-M569 WeakPolarHBondContact O-CG 3.26Å; D565-M569 PolarHBondContact O-N 3.08Å
566	E	82	Confident	84.6	Confident	10 Å²	10	47.1 Å²	47.1	5%	0.047	26%	0.255	C	S	.	.	H	α-helix	trans	-58.8	-38	175	-73.1	166.4	144.6	0	0	112.1	G522 V545 C562 S563 A570	G522-E566 PolarHBondContact N-OE1 2.96Å; G522-E566 WeakPolarHBondContact O-CG 3.48Å; V545-E566 HydrophobicContact CB-CB 4.4Å; V545-E566 HydrophobicContact CG2-CB 3.67Å; C562-E566 WeakPolarHBondContact CA-OE2 3.23Å; S563-E566 PolarHBondContact N-OE2 2.78Å; S563-E566 VanDerWaalsContact OG-CG 3.22Å; S563-E566 WeakPolarHBondContact OG-CG 3.27Å; S563-E566 PolarHBondContact OG-N 3.43Å; S563-E566 PolarHBondContact OG-OE2 3.22Å; E566-A570 VanDerWaalsContact O-CB 3.23Å; E566-A570 WeakPolarHBondContact O-CB 3.37Å; E566-A570 PolarHBondContact O-N 2.66Å
567	R	85.4	Confident	83.9	Confident	117 Å²	117	47.6 Å²	47.6	44%	0.442	26%	0.258	S	S	.	.	H	α-helix	trans	-68.2	-39.2	178.8	-71.4	-176.5	-69.7	-172.4	-0.6	112	V545 S563 G564 D565 K571	V545-R567 HydrophobicContact CG2-CG 3.69Å; S563-R567 PolarHBondContact O-NE 3.47Å; G564-R567 PolarHBondContact O-N 2.99Å; D565-R567 VanDerWaalsContact C-N 3.25Å; D565-R567 PolarHBondContact O-N 2.69Å; R567-K571 WeakPolarHBondContact O-CG 3.18Å; R567-K571 PolarHBondContact O-N 3.24Å
568	E	83	Confident	83.2	Confident	92 Å²	92	48 Å²	48	43%	0.43	26%	0.26	S	S	.	.	H	α-helix	trans	-69.1	-42	177.5	-166.4	59.6	-160.2	0	0	111.1	G564 D565 A570 K571 M572	G564-E568 PolarHBondContact O-N 3.31Å; D565-E568 PolarHBondContact O-N 3.41Å; D565-E568 VanDerWaalsContact O-N 3.16Å; E568-A570 PolarHBondContact O-N 2.77Å; E568-K571 WeakPolarHBondContact O-CB 3.49Å; E568-K571 PolarHBondContact O-N 2.93Å; E568-K571 IonicContact OE2-NZ 2.62Å; E568-K571 PolarHBondContact OE2-NZ 2.75Å; E568-M572 PolarHBondContact O-N 2.9Å
569	M	79.5	Confident	82.6	Confident	36 Å²	36	59.6 Å²	59.6	18%	0.177	30%	0.303	C	S	.	.	H	α-helix	trans	-67	-38.1	176.6	-64.5	-56	100.3	0	0	112.2	V520 T528 D565 K571 M572 V573	V520-M569 HydrophobicContact CG1-CB 4.37Å; T528-M569 HydrophobicContact CG2-CB 3.62Å; T528-M569 HydrophobicContact CG2-CG 3.83Å; D565-M569 WeakPolarHBondContact O-CG 3.26Å; D565-M569 PolarHBondContact O-N 3.08Å; M569-K571 PolarHBondContact O-N 2.8Å; M569-M572 HydrophobicContact CE-CG 4.41Å; M569-M572 WeakPolarHBondContact O-CB 3.43Å; M569-M572 PolarHBondContact O-N 2.73Å; M569-M572 VanDerWaalsContact O-N 3.1Å; M569-V573 WeakPolarHBondContact O-CG2 3.12Å; M569-V573 PolarHBondContact O-N 3.41Å
570	A	86.2	Confident	82.1	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-60.3	-32.3	174.5	0	0	0	0	0	112.6	V520 V545 V547 L556 E566 E568 A574	V520-A570 HydrophobicContact CB-CB 4.3Å; V520-A570 HydrophobicContact CG1-CB 4.33Å; V520-A570 HydrophobicContact CG2-CB 3.96Å; V545-A570 HydrophobicContact CB-CB 4.04Å; V545-A570 HydrophobicContact CG1-CB 3.36Å; V547-A570 HydrophobicContact CG2-CB 4.09Å; L556-A570 HydrophobicContact CD2-CB 4.05Å; E566-A570 VanDerWaalsContact O-CB 3.23Å; E566-A570 WeakPolarHBondContact O-CB 3.37Å; E566-A570 PolarHBondContact O-N 2.66Å; E568-A570 PolarHBondContact O-N 2.77Å; A570-A574 WeakPolarHBondContact O-CB 3.2Å; A570-A574 PolarHBondContact O-N 2.86Å
571	K	86.5	Confident	81.7	Confident	87 Å²	87	62.2 Å²	62.2	38%	0.378	32%	0.319	S	S	.	.	H	α-helix	trans	-66.3	-47.4	172	-65.7	171	-164	163.1	0	111.4	L556 R567 E568 M569 V573 A574 D575	L556-K571 HydrophobicContact CD2-CB 4.38Å; L556-K571 HydrophobicContact CD2-CG 3.68Å; R567-K571 WeakPolarHBondContact O-CG 3.18Å; R567-K571 PolarHBondContact O-N 3.24Å; E568-K571 WeakPolarHBondContact O-CB 3.49Å; E568-K571 PolarHBondContact O-N 2.93Å; E568-K571 IonicContact OE2-NZ 2.62Å; E568-K571 PolarHBondContact OE2-NZ 2.75Å; M569-K571 PolarHBondContact O-N 2.8Å; K571-V573 VanDerWaalsContact C-N 3.32Å; K571-V573 PolarHBondContact O-N 3.42Å; K571-A574 CarbonylContact O-C 3.57Å; K571-A574 WeakPolarHBondContact O-CB 3.4Å; K571-A574 PolarHBondContact O-N 3.12Å; K571-A574 VanDerWaalsContact O-N 3.11Å; K571-D575 PolarHBondContact O-N 3.12Å
572	M	81.1	Confident	82	Confident	74 Å²	74	63 Å²	63	37%	0.365	31%	0.31	S	S	.	.	H	α-helix	trans	-58.1	-44.2	177.6	-66.5	-65.3	-66.8	0	0	111.9	E568 M569 D575 T576	E568-M572 PolarHBondContact O-N 2.9Å; M569-M572 HydrophobicContact CE-CG 4.41Å; M569-M572 WeakPolarHBondContact O-CB 3.43Å; M569-M572 PolarHBondContact O-N 2.73Å; M569-M572 VanDerWaalsContact O-N 3.1Å; M572-D575 PolarHBondContact O-N 3.08Å; M572-T576 PolarHBondContact O-N 3.49Å; M572-T576 VanDerWaalsContact O-N 3.16Å; M572-T576 PolarHBondContact O-OG1 2.69Å
573	V	82.1	Confident	82.4	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-63.1	-48	173.9	172	0	0	0	0	110.2	V497 A530 M569 K571 D575 T576 I577	V497-V573 HydrophobicContact CG2-CG1 4.17Å; A530-V573 HydrophobicContact CB-CB 4.36Å; A530-V573 HydrophobicContact CB-CG1 3.63Å; A530-V573 HydrophobicContact CB-CG2 3.86Å; M569-V573 WeakPolarHBondContact O-CG2 3.12Å; M569-V573 PolarHBondContact O-N 3.41Å; K571-V573 VanDerWaalsContact C-N 3.32Å; K571-V573 PolarHBondContact O-N 3.42Å; V573-D575 VanDerWaalsContact C-N 3.29Å; V573-D575 PolarHBondContact O-N 2.72Å; V573-T576 WeakPolarHBondContact O-CB 3.41Å; V573-T576 PolarHBondContact O-N 3.25Å; V573-I577 HydrophobicContact CG1-CD1 4.28Å; V573-I577 HydrophobicContact CG1-CG2 4.39Å; V573-I577 WeakPolarHBondContact O-CG1 3.48Å; V573-I577 PolarHBondContact O-N 3.31Å
574	A	86.6	Confident	83	Confident	0 Å²	0	69 Å²	69	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-58.8	-37.9	178.7	0	0	0	0	0	112.7	V547 L556 A570 K571 T576 S578 K582	V547-A574 HydrophobicContact CG1-CB 3.84Å; V547-A574 HydrophobicContact CG2-CB 4.49Å; L556-A574 HydrophobicContact CD1-CB 3.76Å; L556-A574 HydrophobicContact CG-CB 4.44Å; A570-A574 WeakPolarHBondContact O-CB 3.2Å; A570-A574 PolarHBondContact O-N 2.86Å; K571-A574 CarbonylContact O-C 3.57Å; K571-A574 WeakPolarHBondContact O-CB 3.4Å; K571-A574 PolarHBondContact O-N 3.12Å; K571-A574 VanDerWaalsContact O-N 3.11Å; A574-T576 VanDerWaalsContact C-N 3.31Å; A574-S578 PolarHBondContact O-N 3.14Å; A574-S578 VanDerWaalsContact O-O 3.04Å; A574-K582 HydrophobicContact CB-CD 3.85Å; A574-K582 HydrophobicContact CB-CG 4.43Å; A574-K582 WeakPolarHBondContact O-CE 3.26Å
575	D	84.1	Confident	83.7	Confident	93 Å²	93	67.2 Å²	67.2	50%	0.497	32%	0.318	S	S	.	.	H	α-helix	trans	-65.4	-35.7	175.3	-75.6	-34.4	0	0	0	111.8	K571 M572 V573 K582	K571-D575 PolarHBondContact O-N 3.12Å; M572-D575 PolarHBondContact O-N 3.08Å; V573-D575 VanDerWaalsContact C-N 3.29Å; V573-D575 PolarHBondContact O-N 2.72Å; D575-K582 VanDerWaalsContact N-CE 3.28Å; D575-K582 WeakPolarHBondContact OD1-CE 3.18Å; D575-K582 IonicContact OD1-NZ 3.57Å; D575-K582 PolarHBondContact OD1-NZ 3.04Å
576	T	78.5	Confident	84.4	Confident	68 Å²	68	66.4 Å²	66.4	42%	0.417	32%	0.316	S	S	.	.	H	α-helix	trans	-74.2	-40.8	179.6	-50.8	0	0	0	0	111.4	H420 M572 V573 A574	H420-T576 WeakPolarHBondContact NE2-CG2 3.34Å; M572-T576 PolarHBondContact O-N 3.49Å; M572-T576 VanDerWaalsContact O-N 3.16Å; M572-T576 PolarHBondContact O-OG1 2.69Å; V573-T576 WeakPolarHBondContact O-CB 3.41Å; V573-T576 PolarHBondContact O-N 3.25Å; A574-T576 VanDerWaalsContact C-N 3.31Å
577	I	79.3	Confident	85	Confident	16 Å²	16	66.7 Å²	66.7	8%	0.082	32%	0.318	C	S	.	.	H	α-helix	trans	-91	-20.9	-174.8	68.9	179.6	0	0	0	114.6	V497 F518 V547 K549 V573	V497-I577 HydrophobicContact CG1-CG2 4.39Å; F518-I577 HydrophobicContact CD2-CD1 3.57Å; F518-I577 HydrophobicContact CE2-CD1 3.66Å; F518-I577 HydrophobicContact CG-CD1 4.32Å; F518-I577 HydrophobicContact CZ-CD1 4.46Å; V547-I577 HydrophobicContact CB-CD1 4.3Å; V547-I577 HydrophobicContact CG1-CD1 3.71Å; K549-I577 PolarHBondContact NZ-O 3.22Å; V573-I577 HydrophobicContact CG1-CD1 4.28Å; V573-I577 HydrophobicContact CG1-CG2 4.39Å; V573-I577 WeakPolarHBondContact O-CG1 3.48Å; V573-I577 PolarHBondContact O-N 3.31Å
578	S	81.9	Confident	85.2	Confident	8 Å²	8	63.8 Å²	63.8	6%	0.056	32%	0.324	C	S	.	.			trans	-142.7	133	-178.4	-162.8	0	0	0	0	113.9	A574 T580 K582	A574-S578 PolarHBondContact O-N 3.14Å; A574-S578 VanDerWaalsContact O-O 3.04Å; S578-T580 PolarHBondContact OG-N 2.87Å; S578-T580 PolarHBondContact OG-OG1 3.43Å; S578-K582 PolarHBondContact O-NZ 3.39Å
579	R	78.9	Confident	85.7	Confident	255 Å²	255	66.9 Å²	66.9	96%	0.962	34%	0.339	S	S	*	.			trans	-87.3	-5.2	171	-61.7	-175.2	-178.9	-179.5	-0.1	113.3
580	T	80.8	Confident	86.4	Confident	43 Å²	43	66.4 Å²	66.4	26%	0.264	34%	0.336	S	S	.	.	S	Bend	trans	-74.8	162.7	-179.9	62.2	0	0	0	0	111.8	C554 S578	C554-T580 WeakPolarHBondContact CB-OG1 3.35Å; C554-T580 PolarHBondContact N-OG1 2.81Å; S578-T580 PolarHBondContact OG-N 2.87Å; S578-T580 PolarHBondContact OG-OG1 3.43Å
581	E	79.4	Confident	86.8	Confident	175 Å²	175	68.3 Å²	68.3	82%	0.818	35%	0.348	S	S	*	.			trans	-57.8	141.9	170.3	-169.2	172.7	-163.1	0	0	110.8	C554	C554-E581 PolarHBondContact N-O 2.82Å
582	K	88.1	Confident	87	Confident	63 Å²	63	67.7 Å²	67.7	27%	0.274	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	109.6	-171.6	-68.3	172.5	-177	78.9	0	109.2	C554 L556 A574 D575 S578	C554-K582 HydrophobicContact CB-CG 4.39Å; C554-K582 CarbonylContact O-C 3.59Å; C554-K582 VanDerWaalsContact O-CA 3.3Å; C554-K582 WeakPolarHBondContact O-CA 3.13Å; L556-K582 HydrophobicContact CD1-CB 3.91Å; L556-K582 HydrophobicContact CD1-CD 4.35Å; L556-K582 HydrophobicContact CD1-CG 4.18Å; A574-K582 HydrophobicContact CB-CD 3.85Å; A574-K582 HydrophobicContact CB-CG 4.43Å; A574-K582 WeakPolarHBondContact O-CE 3.26Å; D575-K582 VanDerWaalsContact N-CE 3.28Å; D575-K582 WeakPolarHBondContact OD1-CE 3.18Å; D575-K582 IonicContact OD1-NZ 3.57Å; D575-K582 PolarHBondContact OD1-NZ 3.04Å; S578-K582 PolarHBondContact O-NZ 3.39Å
583	Q	90.9	Very high	87.5	Confident	89 Å²	89	69 Å²	69	42%	0.416	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	115	177.2	-173.2	174	6.7	0	0	109.9	C554 Y555 L556 V585	C554-Q583 PolarHBondContact O-N 3.29Å; Y555-Q583 CarbonylContact C-O 3.38Å; Y555-Q583 WeakPolarHBondContact CA-O 3.37Å; Y555-Q583 HydrophobicContact CD1-CB 4.04Å; Y555-Q583 HydrophobicContact CD1-CG 4.37Å; Y555-Q583 HydrophobicContact CE1-CB 4.47Å; L556-Q583 PolarHBondContact N-O 3.05Å; Q583-V585 HydrophobicContact CG-CG2 4.31Å
584	V	92.1	Very high	88.1	Confident	90 Å²	90	69 Å²	69	55%	0.545	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	127.2	172.5	-177.3	0	0	0	0	109
585	V	93.3	Very high	88.4	Confident	5 Å²	5	70.3 Å²	70.3	3%	0.03	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	126.2	179.7	-178.2	0	0	0	0	108	Y555 L556 W557 C558 Q583 E590 P591	Y555-V585 HydrophobicContact CD1-CG2 3.79Å; Y555-V585 HydrophobicContact CG-CG2 4.5Å; L556-V585 PolarHBondContact O-N 3.02Å; W557-V585 CarbonylContact C-O 3.45Å; W557-V585 VanDerWaalsContact CA-O 3.32Å; W557-V585 WeakPolarHBondContact CA-O 3.28Å; C558-V585 PolarHBondContact N-O 3.03Å; Q583-V585 HydrophobicContact CG-CG2 4.31Å; V585-E590 HydrophobicContact CG1-CB 4.01Å; V585-E590 HydrophobicContact CG1-CG 3.74Å; V585-P591 HydrophobicContact CG2-CG 4.5Å
586	V	93	Very high	88.8	Confident	73 Å²	73	72.4 Å²	72.4	44%	0.442	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	139.3	176.1	-177.3	0	0	0	0	108.9	G588 Q589	V586-G588 PolarHBondContact O-N 2.73Å; V586-Q589 PolarHBondContact O-N 3.26Å
587	E	93.4	Very high	89.4	Confident	17 Å²	17	70.6 Å²	70.6	8%	0.079	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	124.9	176.6	174.6	-178.1	170.8	0	0	111.9	S542 W557 C558 G559 K560 E590 Y604	S542-E587 WeakPolarHBondContact CA-OE2 3.36Å; S542-E587 WeakPolarHBondContact CB-OE2 3.33Å; S542-E587 VanDerWaalsContact OG-CD 3.24Å; S542-E587 PolarHBondContact OG-OE1 2.95Å; S542-E587 PolarHBondContact OG-OE2 2.95Å; S542-E587 VanDerWaalsContact OG-OE2 3.1Å; W557-E587 HydrophobicContact CH2-CB 4.31Å; W557-E587 HydrophobicContact CH2-CG 4.34Å; W557-E587 HydrophobicContact CZ2-CB 3.65Å; W557-E587 HydrophobicContact CZ2-CG 3.69Å; C558-E587 WeakPolarHBondContact O-CB 3.36Å; C558-E587 PolarHBondContact O-N 3.34Å; G559-E587 WeakPolarHBondContact CA-OE2 3.22Å; K560-E587 WeakPolarHBondContact CB-OE2 3.49Å; K560-E587 HydrophobicContact CD-CG 4.25Å; K560-E587 HydrophobicContact CG-CB 4.09Å; K560-E587 HydrophobicContact CG-CG 4.14Å; K560-E587 WeakPolarHBondContact CG-OE2 3.19Å; K560-E587 PolarHBondContact N-OE2 2.97Å; E587-E590 WeakPolarHBondContact CA-OE1 3.5Å; E587-Y604 WeakPolarHBondContact CG-OH 3.36Å; E587-Y604 PolarHBondContact OE1-OH 3.39Å
588	G	90.8	Very high	90	Very high	56 Å²	56	70.1 Å²	70.1	58%	0.577	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.9	-7.4	-174.5	0	0	0	0	0	115.2	V586 E590	V586-G588 PolarHBondContact O-N 2.73Å; G588-E590 VanDerWaalsContact C-OE2 3.3Å; G588-E590 VanDerWaalsContact CA-OE2 3.26Å; G588-E590 WeakPolarHBondContact CA-OE2 3.44Å; G588-E590 PolarHBondContact N-OE1 2.97Å; G588-E590 PolarHBondContact N-OE2 2.96Å; G588-E590 VanDerWaalsContact N-OE2 3.13Å
589	Q	93.5	Very high	90.4	Very high	157 Å²	157	73.5 Å²	73.5	73%	0.734	41%	0.407	S	S	*	.			trans	-119.2	31.7	175.8	-60.1	-172.7	17.8	0	0	111.9	V586	V586-Q589 PolarHBondContact O-N 3.26Å
590	E	94.5	Very high	91	Very high	26 Å²	26	62.9 Å²	62.9	12%	0.121	38%	0.377	C	S	.	.			trans	-74.6	131.7	-175.2	-55.3	87.5	170.2	0	0	112.5	W557 V585 E587 G588 F594 W595	W557-E590 PolarHBondContact NE1-OE1 3.47Å; V585-E590 HydrophobicContact CG1-CB 4.01Å; V585-E590 HydrophobicContact CG1-CG 3.74Å; E587-E590 WeakPolarHBondContact CA-OE1 3.5Å; G588-E590 VanDerWaalsContact C-OE2 3.3Å; G588-E590 VanDerWaalsContact CA-OE2 3.26Å; G588-E590 WeakPolarHBondContact CA-OE2 3.44Å; G588-E590 PolarHBondContact N-OE1 2.97Å; G588-E590 PolarHBondContact N-OE2 2.96Å; G588-E590 VanDerWaalsContact N-OE2 3.13Å; E590-F594 HydrophobicContact CB-CD1 3.78Å; E590-F594 HydrophobicContact CB-CE1 4.32Å; E590-F594 HydrophobicContact CB-CG 4.41Å; E590-F594 HydrophobicContact CG-CD1 3.94Å; E590-F594 HydrophobicContact CG-CE1 3.96Å; E590-W595 HydrophobicContact CB-CZ2 3.88Å; E590-W595 VanDerWaalsContact CB-NE1 3.34Å; E590-W595 VanDerWaalsContact CD-CZ2 3.43Å; E590-W595 HydrophobicContact CG-CH2 4.37Å; E590-W595 HydrophobicContact CG-CZ2 3.61Å
591	P	93.3	Very high	91.6	Very high	39 Å²	39	68 Å²	68	25%	0.253	40%	0.396	S	S	.	.			trans	-69.7	155.5	176.5	28.2	-32.6	0	0	0	111.5	Y555 V585 N593 F594 W595	Y555-P591 HydrophobicContact CE1-CG 4.1Å; V585-P591 HydrophobicContact CG2-CG 4.5Å; P591-N593 PolarHBondContact O-N 3.2Å; P591-F594 HydrophobicContact CG-CB 3.81Å; P591-F594 VanDerWaalsContact O-CB 3.31Å; P591-F594 WeakPolarHBondContact O-CB 3.47Å; P591-F594 PolarHBondContact O-N 2.8Å; P591-W595 PolarHBondContact O-N 3.36Å
592	A	91.9	Very high	92.1	Very high	75 Å²	75	61.5 Å²	61.5	62%	0.62	37%	0.372	S	S	*	.	H	α-helix	trans	-57.1	-38.2	-179.7	0	0	0	0	0	112.9	F594 W595 M596	A592-F594 VanDerWaalsContact C-N 3.27Å; A592-F594 PolarHBondContact O-N 2.98Å; A592-W595 PolarHBondContact O-N 3.32Å; A592-M596 PolarHBondContact O-N 3.1Å
593	N	91.8	Very high	92.1	Very high	100 Å²	100	64.3 Å²	64.3	54%	0.535	40%	0.396	S	S	.	.	H	α-helix	trans	-64.3	-30.4	178.4	-66.4	-11.8	0	0	0	112.9	P591 M596 A597	P591-N593 PolarHBondContact O-N 3.2Å; N593-M596 PolarHBondContact O-N 3.36Å; N593-A597 WeakPolarHBondContact O-CB 3.38Å; N593-A597 PolarHBondContact O-N 2.87Å
594	F	93.3	Very high	92	Very high	1 Å²	1	62.3 Å²	62.3	0%	0.004	39%	0.385	C	S	.	.	H	α-helix	trans	-64.3	-49	174.8	171.7	-90.9	0	0	0	110.6	L540 L548 Y555 W557 E590 P591 A592 M596 A597 L598	L540-F594 HydrophobicContact CD1-CE1 4.19Å; L540-F594 HydrophobicContact CD1-CZ 4.18Å; L548-F594 HydrophobicContact CB-CE2 4.3Å; L548-F594 HydrophobicContact CD2-CD2 3.66Å; L548-F594 HydrophobicContact CD2-CE2 3.7Å; L548-F594 HydrophobicContact CD2-CG 4.46Å; Y555-F594 HydrophobicContact CD1-CD2 4.22Å; Y555-F594 HydrophobicContact CD2-CD2 4.18Å; Y555-F594 HydrophobicContact CE1-CB 4.39Å; Y555-F594 AromaticContact CG-CD2 3.85Å; Y555-F594 HydrophobicContact CG-CD2 3.85Å; W557-F594 HydrophobicContact CB-CE2 3.87Å; W557-F594 HydrophobicContact CB-CZ 3.84Å; W557-F594 AromaticContact CD1-CE1 3.83Å; W557-F594 AromaticContact CD1-CZ 3.46Å; W557-F594 VanDerWaalsContact CD1-CZ 3.46Å; W557-F594 HydrophobicContact CG-CE1 4.47Å; W557-F594 HydrophobicContact CG-CE2 4.21Å; W557-F594 AromaticContact CG-CZ 3.72Å; W557-F594 HydrophobicContact CG-CZ 3.72Å; E590-F594 HydrophobicContact CB-CD1 3.78Å; E590-F594 HydrophobicContact CB-CE1 4.32Å; E590-F594 HydrophobicContact CB-CG 4.41Å; E590-F594 HydrophobicContact CG-CD1 3.94Å; E590-F594 HydrophobicContact CG-CE1 3.96Å; P591-F594 HydrophobicContact CG-CB 3.81Å; P591-F594 VanDerWaalsContact O-CB 3.31Å; P591-F594 WeakPolarHBondContact O-CB 3.47Å; P591-F594 PolarHBondContact O-N 2.8Å; A592-F594 VanDerWaalsContact C-N 3.27Å; A592-F594 PolarHBondContact O-N 2.98Å; F594-M596 VanDerWaalsContact C-N 3.32Å; F594-M596 PolarHBondContact O-N 3.28Å; F594-A597 PolarHBondContact O-N 2.79Å; F594-L598 HydrophobicContact CD1-CD1 4.24Å; F594-L598 HydrophobicContact CE1-CD1 3.58Å; F594-L598 HydrophobicContact CE2-CD1 4.32Å; F594-L598 HydrophobicContact CZ-CD1 3.63Å; F594-L598 PolarHBondContact O-N 2.82Å
595	W	94.3	Very high	91.7	Very high	28 Å²	28	60.2 Å²	60.2	11%	0.106	38%	0.378	C	S	.	.	H	α-helix	trans	-65.4	-37.1	177.1	-67.3	118.7	0	0	0	112.4	A537 L540 E590 P591 A592 A597 L598 G599 G600 K601 Y604	A537-W595 HydrophobicContact CB-CE3 4.06Å; A537-W595 HydrophobicContact CB-CZ3 3.74Å; L540-W595 HydrophobicContact CD1-CH2 4.01Å; L540-W595 HydrophobicContact CD1-CZ3 3.9Å; E590-W595 HydrophobicContact CB-CZ2 3.88Å; E590-W595 VanDerWaalsContact CB-NE1 3.34Å; E590-W595 VanDerWaalsContact CD-CZ2 3.43Å; E590-W595 HydrophobicContact CG-CH2 4.37Å; E590-W595 HydrophobicContact CG-CZ2 3.61Å; P591-W595 PolarHBondContact O-N 3.36Å; A592-W595 PolarHBondContact O-N 3.32Å; W595-A597 VanDerWaalsContact C-N 3.3Å; W595-A597 PolarHBondContact O-N 2.97Å; W595-L598 HydrophobicContact CE3-CD1 4.37Å; W595-L598 HydrophobicContact CZ3-CD1 4.34Å; W595-L598 PolarHBondContact O-N 3.12Å; W595-L598 VanDerWaalsContact O-N 3.13Å; W595-G599 PolarHBondContact O-N 3.5Å; W595-G600 WeakPolarHBondContact O-CA 3.47Å; W595-G600 PolarHBondContact O-N 3.42Å; W595-K601 HydrophobicContact CD2-CB 3.91Å; W595-K601 HydrophobicContact CD2-CD 4.39Å; W595-K601 HydrophobicContact CD2-CG 4.02Å; W595-K601 HydrophobicContact CE3-CB 4Å; W595-K601 HydrophobicContact CE3-CG 4.08Å; W595-K601 HydrophobicContact CG-CB 4.21Å; W595-K601 HydrophobicContact CH2-CG 4.24Å; W595-K601 HydrophobicContact CZ2-CD 4.16Å; W595-K601 HydrophobicContact CZ2-CG 4.13Å; W595-K601 HydrophobicContact CZ3-CG 4.21Å; W595-Y604 AromaticContact CH2-CE1 3.93Å; W595-Y604 HydrophobicContact CH2-CE1 3.93Å
596	M	91.9	Very high	91.1	Very high	137 Å²	137	65.3 Å²	65.3	68%	0.675	41%	0.405	S	S	*	.	H	α-helix	trans	-61.5	-41.1	177.3	-152.7	-173.2	-54.6	0	0	111.4	A592 N593 F594 L598 G599	A592-M596 PolarHBondContact O-N 3.1Å; N593-M596 PolarHBondContact O-N 3.36Å; F594-M596 VanDerWaalsContact C-N 3.32Å; F594-M596 PolarHBondContact O-N 3.28Å; M596-L598 PolarHBondContact O-N 3.47Å; M596-G599 PolarHBondContact O-N 3.34Å
597	A	90.7	Very high	90.2	Very high	30 Å²	30	67 Å²	67	25%	0.248	42%	0.416	C	S	.	.	H	α-helix	trans	-65.4	-24	176	0	0	0	0	0	113.7	L548 T550 N593 F594 W595	L548-A597 HydrophobicContact CD2-CB 4.04Å; T550-A597 HydrophobicContact CG2-CB 3.79Å; N593-A597 WeakPolarHBondContact O-CB 3.38Å; N593-A597 PolarHBondContact O-N 2.87Å; F594-A597 PolarHBondContact O-N 2.79Å; W595-A597 VanDerWaalsContact C-N 3.3Å; W595-A597 PolarHBondContact O-N 2.97Å
598	L	92.3	Very high	88.7	Confident	5 Å²	5	75.5 Å²	75.5	3%	0.026	45%	0.452	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94	9.3	176.4	-66.7	178.2	0	0	0	113.9	L517 A535 R536 A537 L540 L548 F594 W595 M596 G600	L517-L598 HydrophobicContact CD1-CD2 4.45Å; L517-L598 HydrophobicContact CD2-CD2 3.97Å; A535-L598 HydrophobicContact CB-CD2 4.39Å; R536-L598 WeakPolarHBondContact CA-O 3.4Å; A537-L598 HydrophobicContact CB-CB 4.34Å; A537-L598 HydrophobicContact CB-CD1 4.49Å; L540-L598 HydrophobicContact CD1-CD1 4.07Å; L548-L598 HydrophobicContact CD1-CD2 3.77Å; L548-L598 HydrophobicContact CD2-CD1 4.4Å; L548-L598 HydrophobicContact CD2-CD2 3.94Å; L548-L598 HydrophobicContact CD2-CG 3.88Å; L548-L598 HydrophobicContact CG-CD2 4.47Å; F594-L598 HydrophobicContact CD1-CD1 4.24Å; F594-L598 HydrophobicContact CE1-CD1 3.58Å; F594-L598 HydrophobicContact CE2-CD1 4.32Å; F594-L598 HydrophobicContact CZ-CD1 3.63Å; F594-L598 PolarHBondContact O-N 2.82Å; W595-L598 HydrophobicContact CE3-CD1 4.37Å; W595-L598 HydrophobicContact CZ3-CD1 4.34Å; W595-L598 PolarHBondContact O-N 3.12Å; W595-L598 VanDerWaalsContact O-N 3.13Å; M596-L598 PolarHBondContact O-N 3.47Å; L598-G600 VanDerWaalsContact C-N 3.35Å
599	G	90.8	Very high	87.1	Confident	80 Å²	80	79 Å²	79	83%	0.825	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.9	21.2	-178.1	0	0	0	0	0	114.2	W595 M596	W595-G599 PolarHBondContact O-N 3.5Å; M596-G599 PolarHBondContact O-N 3.34Å
600	G	91.8	Very high	84.9	Confident	31 Å²	31	77.9 Å²	77.9	32%	0.32	45%	0.446	S	S	.	.	S	Bend	trans	108.8	171	-179.8	0	0	0	0	0	113.5	A537 W595 L598	A537-G600 VanDerWaalsContact CB-O 3.23Å; A537-G600 WeakPolarHBondContact CB-O 3.44Å; W595-G600 WeakPolarHBondContact O-CA 3.47Å; W595-G600 PolarHBondContact O-N 3.42Å; L598-G600 VanDerWaalsContact C-N 3.35Å
601	K	91.6	Very high	82.3	Confident	151 Å²	151	82.6 Å²	82.6	66%	0.657	47%	0.468	S	S	*	.			trans	-83.7	131.1	176.9	-171.7	173.2	-176.9	173.3	0	109.9	W595	W595-K601 HydrophobicContact CD2-CB 3.91Å; W595-K601 HydrophobicContact CD2-CD 4.39Å; W595-K601 HydrophobicContact CD2-CG 4.02Å; W595-K601 HydrophobicContact CE3-CB 4Å; W595-K601 HydrophobicContact CE3-CG 4.08Å; W595-K601 HydrophobicContact CG-CB 4.21Å; W595-K601 HydrophobicContact CH2-CG 4.24Å; W595-K601 HydrophobicContact CZ2-CD 4.16Å; W595-K601 HydrophobicContact CZ2-CG 4.13Å; W595-K601 HydrophobicContact CZ3-CG 4.21Å
602	A	90.6	Very high	79.9	Confident	38 Å²	38	87.2 Å²	87.2	31%	0.314	49%	0.487	S	S	.	.			trans	-136.1	161.6	176.5	0	0	0	0	0	110.4	A537 Y604	A537-A602 HydrophobicContact CB-CB 3.94Å; A602-Y604 WeakPolarHBondContact O-CD1 3.38Å
603	P	87.9	Confident	77.4	Confident	122 Å²	122	88.2 Å²	88.2	79%	0.792	48%	0.478	S	S	*	.			trans	-61.3	143.6	169.7	-19.6	32.4	0	0	0	111.3	N538	N538-P603 WeakPolarHBondContact CA-O 3.37Å
604	Y	89.3	Confident	75	Confident	47 Å²	47	90.4 Å²	90.4	18%	0.184	49%	0.49	C	S	.	.			trans	-144.2	167.7	180	59.6	-101.7	0	0	0	110.8	A537 L540 W557 E587 W595 A602 N606	A537-Y604 WeakPolarHBondContact O-CB 3.29Å; L540-Y604 HydrophobicContact CB-CD1 4.27Å; L540-Y604 HydrophobicContact CB-CD2 4.08Å; L540-Y604 HydrophobicContact CB-CG 3.86Å; L540-Y604 HydrophobicContact CD1-CD1 4.46Å; L540-Y604 WeakPolarHBondContact O-CB 3.28Å; W557-Y604 HydrophobicContact CH2-CE2 4.04Å; W557-Y604 HydrophobicContact CZ2-CE2 4.09Å; E587-Y604 WeakPolarHBondContact CG-OH 3.36Å; E587-Y604 PolarHBondContact OE1-OH 3.39Å; W595-Y604 AromaticContact CH2-CE1 3.93Å; W595-Y604 HydrophobicContact CH2-CE1 3.93Å; A602-Y604 WeakPolarHBondContact O-CD1 3.38Å; Y604-N606 PolarHBondContact O-N 2.83Å
605	A	84.8	Confident	72.8	Confident	47 Å²	47	94.3 Å²	94.3	39%	0.388	51%	0.51	S	S	.	.	B	Isolated β-bridge	trans	-68	124.9	-173.5	0	0	0	0	0	111.4	L540 N541 S542	L540-A605 PolarHBondContact O-N 2.99Å; N541-A605 CarbonylContact C-O 3.58Å; N541-A605 WeakPolarHBondContact CA-O 3.41Å; S542-A605 PolarHBondContact N-O 2.79Å
606	N	81.4	Confident	70.7	Confident	112 Å²	112	96.9 Å²	96.9	60%	0.599	53%	0.529	S	S	*	.			trans	-136	5.7	-177.2	69.4	2.6	0	0	0	114.6	S542 Y604	S542-N606 WeakPolarHBondContact OG-CA 3.47Å; S542-N606 VanDerWaalsContact OG-CB 3.25Å; S542-N606 WeakPolarHBondContact OG-CB 3.45Å; Y604-N606 PolarHBondContact O-N 2.83Å
607	T	74.9	Confident	69.2	Low	109 Å²	109	93.1 Å²	93.1	67%	0.669	51%	0.511	S	S	*	.	S	Bend	trans	-65.1	131.5	172.7	23.8	0	0	0	0	110	N543 R609	N543-T607 PolarHBondContact ND2-O 3.49Å; T607-R609 PolarHBondContact O-N 2.9Å; T607-R609 VanDerWaalsContact O-N 3.16Å
608	K	61.6	Low	68.2	Low	194 Å²	194	94.8 Å²	94.8	84%	0.843	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-56.1	122	174.2	-72.1	-174.2	177.8	-178	0	109	L610	K608-L610 PolarHBondContact O-N 3.29Å
609	R	57.4	Low	67.7	Low	129 Å²	129	96 Å²	96	49%	0.487	53%	0.526	S	S	.	.	P	Polyproline II helix	trans	-56.3	123.1	172.5	-171.4	170.5	178	177.6	-4.2	108.2	N543 T607 Q611 E612	N543-R609 HydrophobicContact CB-CB 4.37Å; N543-R609 PolarHBondContact OD1-N 3.2Å; T607-R609 PolarHBondContact O-N 2.9Å; T607-R609 VanDerWaalsContact O-N 3.16Å; R609-Q611 PolarHBondContact O-N 3.46Å; R609-Q611 VanDerWaalsContact O-N 3.13Å; R609-E612 IonicContact NH2-OE1 2.72Å
610	L	46	Very low	67.3	Low	134 Å²	134	93.8 Å²	93.8	70%	0.702	49%	0.493	S	S	*	.			trans	-61	114.8	159.3	-71	165.9	0	0	0	104.8	K608 E612	K608-L610 PolarHBondContact O-N 3.29Å; L610-E612 PolarHBondContact O-N 3.02Å
611	Q	41.8	Very low	67	Low	126 Å²	126	92.3 Å²	92.3	59%	0.589	48%	0.478	S	S	*	.			trans	-47.4	137	173.5	-76.6	178.3	-21.4	0	0	108.5	R609 E613	R609-Q611 PolarHBondContact O-N 3.46Å; R609-Q611 VanDerWaalsContact O-N 3.13Å; Q611-E613 PolarHBondContact O-N 3.02Å
612	E	42.4	Very low	66.8	Low	136 Å²	136	86.1 Å²	86.1	64%	0.636	45%	0.451	S	S	*	.			trans	-27.7	108.7	-172.2	-72.5	173	161.9	0	0	112.5	R609 L610 N614	R609-E612 IonicContact NH2-OE1 2.72Å; L610-E612 PolarHBondContact O-N 3.02Å; E612-N614 PolarHBondContact O-N 3.29Å
613	E	39.7	Very low	66.6	Low	95 Å²	95	84.7 Å²	84.7	44%	0.444	44%	0.438	S	S	.	.			trans	-59.3	104.1	170.7	-68.4	178.1	172.9	0	0	106.1	K348 Q611 L615	K348-E613 IonicContact NZ-OE1 3.01Å; K348-E613 IonicContact NZ-OE2 2.88Å; K348-E613 PolarHBondContact NZ-OE2 2.94Å; K348-E613 VanDerWaalsContact NZ-OE2 3.16Å; Q611-E613 PolarHBondContact O-N 3.02Å; E613-L615 PolarHBondContact O-N 2.62Å
614	N	40.1	Very low	66.4	Low	146 Å²	146	78.9 Å²	78.9	78%	0.781	40%	0.4	S	S	*	.			trans	-63.7	90.8	169.3	-85.2	-41.3	0	0	0	107.3	E612 V616	E612-N614 PolarHBondContact O-N 3.29Å; N614-V616 PolarHBondContact O-N 2.96Å
615	L	47.8	Very low	65.8	Low	83 Å²	83	77.1 Å²	77.1	44%	0.435	40%	0.395	S	S	.	.			trans	-54.6	132.1	166.9	-68.8	168.9	0	0	0	106.9	E613 I617	E613-L615 PolarHBondContact O-N 2.62Å; L615-I617 HydrophobicContact CB-CG1 4.39Å; L615-I617 PolarHBondContact O-N 2.72Å
616	V	49.2	Very low	65.1	Low	83 Å²	83	76.4 Å²	76.4	50%	0.503	38%	0.384	S	S	.	.			trans	-71.3	90.3	169.9	179	0	0	0	0	106	N614 T618	N614-V616 PolarHBondContact O-N 2.96Å; V616-T618 PolarHBondContact O-N 2.8Å
617	I	60.8	Low	64.1	Low	58 Å²	58	75.1 Å²	75.1	30%	0.297	38%	0.375	S	S	.	.			trans	-72.8	113.4	177.9	-60	170	0	0	0	107	L615 V654 W655 W710	L615-I617 HydrophobicContact CB-CG1 4.39Å; L615-I617 PolarHBondContact O-N 2.72Å; I617-V654 HydrophobicContact CG2-CB 4.44Å; I617-V654 WeakPolarHBondContact CG2-O 3.28Å; I617-W655 HydrophobicContact CG1-CB 4.45Å; I617-W655 HydrophobicContact CG2-CB 4.27Å; I617-W710 HydrophobicContact CG2-CH2 4.26Å
618	T	69.1	Low	63.1	Low	64 Å²	64	73.2 Å²	73.2	39%	0.393	36%	0.363	S	S	.	.			trans	-102.4	111.2	167.7	-53	0	0	0	0	107	A340 V616	A340-T618 HydrophobicContact CB-CG2 3.77Å; V616-T618 PolarHBondContact O-N 2.8Å
619	P	82.1	Confident	62.8	Low	30 Å²	30	67.3 Å²	67.3	20%	0.195	36%	0.357	C	S	.	.			trans	-65.2	144.6	178.9	30.7	-37.3	0	0	0	110.1	F639 L652 D653 V654 W710	P619-F639 HydrophobicContact CB-CE1 4.1Å; P619-F639 HydrophobicContact CB-CZ 3.87Å; P619-F639 HydrophobicContact CG-CE1 4.07Å; P619-F639 HydrophobicContact CG-CZ 3.84Å; P619-L652 HydrophobicContact CB-CD1 4.09Å; P619-D653 CarbonylContact C-O 3.53Å; P619-D653 WeakPolarHBondContact CA-O 3.41Å; P619-V654 HydrophobicContact CB-CG1 4.04Å; P619-W710 HydrophobicContact CB-CD2 4.27Å; P619-W710 HydrophobicContact CB-CE3 3.94Å; P619-W710 HydrophobicContact CB-CZ3 4.42Å; P619-W710 HydrophobicContact CG-CD2 4.47Å; P619-W710 HydrophobicContact CG-CE3 3.73Å; P619-W710 HydrophobicContact CG-CZ3 4.18Å
620	R	82.7	Confident	63	Low	34 Å²	34	70.3 Å²	70.3	13%	0.128	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	126.1	178.8	-58.7	173	75.6	-172.1	7.4	109.6	F622 E635 L652 D653 Y681	R620-F622 HydrophobicContact CB-CD2 4.48Å; R620-F622 HydrophobicContact CB-CE2 3.7Å; R620-F622 HydrophobicContact CB-CZ 4.15Å; R620-E635 IonicContact CZ-OE1 3.95Å; R620-E635 IonicContact CZ-OE2 3.01Å; R620-E635 IonicContact NE-OE1 3.68Å; R620-E635 PolarHBondContact NE-OE1 3.34Å; R620-E635 IonicContact NE-OE2 2.92Å; R620-E635 IonicContact NH2-OE1 3.06Å; R620-E635 PolarHBondContact NH2-OE1 2.88Å; R620-E635 VanDerWaalsContact NH2-OE1 3.1Å; R620-E635 IonicContact NH2-OE2 2.85Å; R620-E635 PolarHBondContact NH2-OE2 2.78Å; R620-L652 CarbonylContact O-C 3.51Å; R620-L652 WeakPolarHBondContact O-CA 3.41Å; R620-D653 PolarHBondContact N-O 3.17Å; R620-D653 PolarHBondContact O-N 3.35Å; R620-Y681 PolarHBondContact NH1-OH 2.94Å
621	L	86.4	Confident	64.3	Low	0 Å²	0	66.8 Å²	66.8	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	135.7	176.2	-170.4	73.8	0	0	0	108.8	E635 I636 F639 D643 L644 F650 L651 L652	L621-E635 CarbonylContact O-C 3.52Å; L621-I636 HydrophobicContact CB-CB 4.2Å; L621-I636 HydrophobicContact CB-CD1 4.18Å; L621-I636 HydrophobicContact CD2-CB 4.42Å; L621-I636 HydrophobicContact CD2-CD1 3.55Å; L621-I636 HydrophobicContact CG-CD1 3.67Å; L621-I636 WeakPolarHBondContact O-CB 3.47Å; L621-I636 PolarHBondContact O-N 3.3Å; L621-F639 HydrophobicContact CB-CB 4.04Å; L621-F639 HydrophobicContact CB-CD1 3.54Å; L621-F639 HydrophobicContact CB-CD2 4.36Å; L621-F639 HydrophobicContact CB-CE1 4.08Å; L621-F639 HydrophobicContact CB-CG 3.71Å; L621-F639 HydrophobicContact CD2-CB 3.65Å; L621-F639 HydrophobicContact CD2-CD2 4.19Å; L621-F639 HydrophobicContact CD2-CG 3.91Å; L621-F639 HydrophobicContact CG-CG 4.42Å; L621-D643 HydrophobicContact CD2-CB 4.34Å; L621-L644 HydrophobicContact CD1-CD2 4.25Å; L621-L644 HydrophobicContact CD2-CD2 4.15Å; L621-F650 HydrophobicContact CD1-CB 4.14Å; L621-F650 HydrophobicContact CD1-CD1 4.43Å; L621-F650 HydrophobicContact CD2-CD1 4.18Å; L621-F650 HydrophobicContact CG-CD1 4.18Å; L621-L651 CarbonylContact C-O 3.54Å; L621-L651 WeakPolarHBondContact CA-O 3.13Å; L621-L652 HydrophobicContact CB-CD1 4.22Å; L621-L652 HydrophobicContact CD1-CB 3.79Å; L621-L652 HydrophobicContact CD1-CD1 4.08Å; L621-L652 HydrophobicContact CD1-CG 4.47Å
622	F	87.7	Confident	65.6	Low	21 Å²	21	63 Å²	63	9%	0.092	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	132.1	174.7	-57.3	-97.4	0	0	0	109.4	R620 T634 E635 F650 L651 D653 Y681	R620-F622 HydrophobicContact CB-CD2 4.48Å; R620-F622 HydrophobicContact CB-CE2 3.7Å; R620-F622 HydrophobicContact CB-CZ 4.15Å; F622-T634 CarbonylContact C-O 3.53Å; F622-T634 WeakPolarHBondContact CA-O 3.36Å; F622-E635 HydrophobicContact CD1-CB 3.73Å; F622-E635 HydrophobicContact CD1-CG 4.28Å; F622-E635 HydrophobicContact CE1-CB 3.65Å; F622-E635 HydrophobicContact CE1-CG 3.97Å; F622-E635 HydrophobicContact CZ-CG 4.41Å; F622-F650 CarbonylContact O-C 3.5Å; F622-F650 WeakPolarHBondContact O-CA 3.33Å; F622-L651 HydrophobicContact CB-CB 4.24Å; F622-L651 HydrophobicContact CD2-CB 4.44Å; F622-L651 PolarHBondContact N-O 3.25Å; F622-L651 PolarHBondContact O-N 3.01Å; F622-D653 HydrophobicContact CE2-CB 4.36Å; F622-Y681 HydrophobicContact CE2-CE2 4.2Å; F622-Y681 AromaticContact CZ-CE2 3.87Å; F622-Y681 HydrophobicContact CZ-CE2 3.87Å
623	E	85.7	Confident	67.2	Low	9 Å²	9	57.9 Å²	57.9	4%	0.042	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	133.4	167.5	-174.5	-169.1	150.6	0	0	109.2	K145 R146 A633 T634 I636 D648 F650	K145-E623 WeakPolarHBondContact CE-OE1 3.27Å; K145-E623 IonicContact NZ-OE1 3.91Å; K145-E623 PolarHBondContact NZ-OE1 2.85Å; R146-E623 IonicContact CZ-OE2 2.7Å; R146-E623 IonicContact NH1-OE2 3.1Å; R146-E623 PolarHBondContact NH1-OE2 3.15Å; E623-A633 CarbonylContact O-C 3.44Å; E623-A633 WeakPolarHBondContact O-CA 2.96Å; E623-T634 PolarHBondContact N-O 2.58Å; E623-T634 PolarHBondContact O-N 2.92Å; E623-I636 HydrophobicContact CB-CD1 4.05Å; E623-D648 HydrophobicContact CG-CB 4.49Å; E623-F650 HydrophobicContact CB-CD1 4.1Å; E623-F650 HydrophobicContact CB-CE1 3.73Å; E623-F650 HydrophobicContact CB-CZ 4.34Å; E623-F650 HydrophobicContact CG-CE1 3.84Å; E623-F650 HydrophobicContact CG-CZ 3.93Å
624	C	84.1	Confident	68.9	Low	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	107.2	175.8	-70.2	0	0	0	0	109	F631 L632 V649 A674	C624-F631 HydrophobicContact CB-CE2 3.83Å; C624-F631 HydrophobicContact CB-CZ 3.64Å; C624-L632 WeakPolarHBondContact CA-O 3.3Å; C624-V649 WeakPolarHBondContact CA-O 3.41Å; C624-V649 HydrophobicContact CB-CB 4.27Å; C624-V649 WeakPolarHBondContact CB-O 3.4Å; C624-V649 PolarHBondContact N-O 3.43Å; C624-V649 PolarHBondContact O-N 2.8Å; C624-A674 HydrophobicContact CB-CB 3.63Å
625	S	76.4	Confident	70.8	Confident	9 Å²	9	50.6 Å²	50.6	6%	0.063	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	147.8	-174.1	-172.2	0	0	0	0	112.5	K145 Q627 F631 L632 D648 E670	K145-S625 PolarHBondContact NZ-OG 3.06Å; S625-Q627 WeakPolarHBondContact OG-CG 3.16Å; S625-Q627 PolarHBondContact OG-N 3.4Å; S625-F631 CarbonylContact O-C 3.57Å; S625-F631 WeakPolarHBondContact O-CA 3.47Å; S625-L632 PolarHBondContact N-O 2.78Å; S625-L632 PolarHBondContact O-N 2.86Å; S625-D648 WeakPolarHBondContact CB-OD1 3.26Å; S625-D648 PolarHBondContact OG-OD1 2.89Å; S625-E670 VanDerWaalsContact CA-OE1 3.3Å; S625-E670 WeakPolarHBondContact CA-OE1 3.32Å; S625-E670 PolarHBondContact OG-OE1 2.98Å; S625-E670 VanDerWaalsContact OG-OE1 3.05Å
626	N	69.7	Low	72	Confident	32 Å²	32	46.8 Å²	46.8	17%	0.171	26%	0.256	C	S	.	.			trans	-109.8	7.3	174.8	72.7	-3.1	0	0	0	113.8	T628 G629 R630 F631 N667 E670	N626-T628 PolarHBondContact O-N 3.16Å; N626-G629 PolarHBondContact O-N 2.85Å; N626-R630 WeakPolarHBondContact CA-O 3.29Å; N626-F631 HydrophobicContact CB-CB 4.26Å; N626-N667 PolarHBondContact OD1-ND2 3.26Å; N626-E670 HydrophobicContact CB-CG 4.01Å; N626-E670 PolarHBondContact N-OE1 3Å; N626-E670 WeakPolarHBondContact OD1-CG 3.36Å; N626-E670 PolarHBondContact OD1-OE1 3.02Å
627	Q	60.2	Low	72.9	Confident	86 Å²	86	44.4 Å²	44.4	40%	0.402	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-19.4	-175.1	-67.1	178.5	29.6	0	0	114.4	S625 G629 D648	S625-Q627 WeakPolarHBondContact OG-CG 3.16Å; S625-Q627 PolarHBondContact OG-N 3.4Å; Q627-G629 PolarHBondContact O-N 2.79Å; Q627-D648 PolarHBondContact NE2-OD1 2.91Å; Q627-D648 PolarHBondContact NE2-OD2 3.5Å
628	T	54.2	Low	73.3	Confident	68 Å²	68	45.5 Å²	45.5	42%	0.417	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	6.2	174.1	65.6	0	0	0	0	113.9	N626 R630	N626-T628 PolarHBondContact O-N 3.16Å; T628-R630 PolarHBondContact O-N 3.43Å; T628-R630 PolarHBondContact OG1-O 2.94Å; T628-R630 VanDerWaalsContact OG1-O 3.06Å
629	G	56.4	Low	73.8	Confident	70 Å²	70	43.7 Å²	43.7	72%	0.722	24%	0.235	S	C	*	.	S	Bend	trans	82.4	-4.7	-171.4	0	0	0	0	0	113.8	N626 Q627	N626-G629 PolarHBondContact O-N 2.85Å; Q627-G629 PolarHBondContact O-N 2.79Å
630	R	61.5	Low	73.7	Confident	193 Å²	193	44.7 Å²	44.7	73%	0.728	24%	0.239	S	C	*	.	S	Bend	trans	-137.8	143.8	171	-65.9	-177.4	-179.9	-179.5	0.3	109.4	N626 T628 L632	N626-R630 WeakPolarHBondContact CA-O 3.29Å; T628-R630 PolarHBondContact O-N 3.43Å; T628-R630 PolarHBondContact OG1-O 2.94Å; T628-R630 VanDerWaalsContact OG1-O 3.06Å; R630-L632 PolarHBondContact O-N 3.49Å
631	F	71.9	Confident	73.7	Confident	59 Å²	59	43.6 Å²	43.6	26%	0.259	24%	0.235	S	C	.	.			trans	-67.8	130	175.4	178.8	-87.8	0	0	0	111.2	C624 S625 N626 A673 A674 T677	C624-F631 HydrophobicContact CB-CE2 3.83Å; C624-F631 HydrophobicContact CB-CZ 3.64Å; S625-F631 CarbonylContact O-C 3.57Å; S625-F631 WeakPolarHBondContact O-CA 3.47Å; N626-F631 HydrophobicContact CB-CB 4.26Å; F631-A673 HydrophobicContact CB-CB 4.16Å; F631-A673 HydrophobicContact CD1-CB 3.98Å; F631-A673 HydrophobicContact CD2-CB 3.28Å; F631-A673 HydrophobicContact CE1-CB 4.26Å; F631-A673 HydrophobicContact CE2-CB 3.56Å; F631-A673 HydrophobicContact CG-CB 3.5Å; F631-A673 VanDerWaalsContact CG-CB 3.5Å; F631-A673 HydrophobicContact CZ-CB 4.06Å; F631-A674 HydrophobicContact CE2-CB 4.06Å; F631-A674 VanDerWaalsContact CZ-CA 3.48Å; F631-A674 HydrophobicContact CZ-CB 3.96Å; F631-T677 HydrophobicContact CE1-CG2 4.15Å; F631-T677 WeakPolarHBondContact CE1-OG1 3.37Å
632	L	68.7	Low	73.4	Confident	47 Å²	47	49.1 Å²	49.1	25%	0.246	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	140.8	179.2	-172.7	65.6	0	0	0	111.1	V244 C624 S625 R630	V244-L632 HydrophobicContact CG1-CD1 4.05Å; V244-L632 HydrophobicContact CG1-CD2 4.42Å; C624-L632 WeakPolarHBondContact CA-O 3.3Å; S625-L632 PolarHBondContact N-O 2.78Å; S625-L632 PolarHBondContact O-N 2.86Å; R630-L632 PolarHBondContact O-N 3.49Å
633	A	77.8	Confident	73.1	Confident	28 Å²	28	48.8 Å²	48.8	23%	0.231	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	117.6	167.5	0	0	0	0	0	110.5	E623 T677	E623-A633 CarbonylContact O-C 3.44Å; E623-A633 WeakPolarHBondContact O-CA 2.96Å; A633-T677 HydrophobicContact CB-CG2 3.91Å
634	T	74.4	Confident	73.2	Confident	38 Å²	38	48.6 Å²	48.6	23%	0.233	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	127.7	-174.9	-56.2	0	0	0	0	110.4	F622 E623	F622-T634 CarbonylContact C-O 3.53Å; F622-T634 WeakPolarHBondContact CA-O 3.36Å; E623-T634 PolarHBondContact N-O 2.58Å; E623-T634 PolarHBondContact O-N 2.92Å
635	E	79.8	Confident	73.1	Confident	51 Å²	51	49.8 Å²	49.8	24%	0.238	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	146.1	179	-175.6	172.3	-166	0	0	112.3	R620 L621 F622	R620-E635 IonicContact CZ-OE1 3.95Å; R620-E635 IonicContact CZ-OE2 3.01Å; R620-E635 IonicContact NE-OE1 3.68Å; R620-E635 PolarHBondContact NE-OE1 3.34Å; R620-E635 IonicContact NE-OE2 2.92Å; R620-E635 IonicContact NH2-OE1 3.06Å; R620-E635 PolarHBondContact NH2-OE1 2.88Å; R620-E635 VanDerWaalsContact NH2-OE1 3.1Å; R620-E635 IonicContact NH2-OE2 2.85Å; R620-E635 PolarHBondContact NH2-OE2 2.78Å; L621-E635 CarbonylContact O-C 3.52Å; F622-E635 HydrophobicContact CD1-CB 3.73Å; F622-E635 HydrophobicContact CD1-CG 4.28Å; F622-E635 HydrophobicContact CE1-CB 3.65Å; F622-E635 HydrophobicContact CE1-CG 3.97Å; F622-E635 HydrophobicContact CZ-CG 4.41Å
636	I	73.8	Confident	73.6	Confident	3 Å²	3	51.7 Å²	51.7	2%	0.015	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	104	-175.3	-48	164.4	0	0	0	108.3	R146 L621 E623 F639 D643 F650	R146-I636 VanDerWaalsContact CZ-CG2 3.43Å; L621-I636 HydrophobicContact CB-CB 4.2Å; L621-I636 HydrophobicContact CB-CD1 4.18Å; L621-I636 HydrophobicContact CD2-CB 4.42Å; L621-I636 HydrophobicContact CD2-CD1 3.55Å; L621-I636 HydrophobicContact CG-CD1 3.67Å; L621-I636 WeakPolarHBondContact O-CB 3.47Å; L621-I636 PolarHBondContact O-N 3.3Å; E623-I636 HydrophobicContact CB-CD1 4.05Å; I636-F639 HydrophobicContact CB-CB 4.5Å; I636-F639 HydrophobicContact CG2-CB 3.86Å; I636-D643 HydrophobicContact CG2-CB 4.22Å; I636-F650 HydrophobicContact CD1-CD1 3.74Å; I636-F650 HydrophobicContact CD1-CE1 3.64Å
637	P	67.9	Low	74.2	Confident	32 Å²	32	52.8 Å²	52.8	21%	0.208	28%	0.283	C	S	.	.	S	Bend	trans	-77.4	155.4	173.8	30	-29.8	0	0	0	111.2	E105 F639	E105-P637 HydrophobicContact CB-CG 3.78Å; E105-P637 WeakPolarHBondContact O-CG 3.47Å; P637-F639 PolarHBondContact O-N 3.15Å; P637-F639 VanDerWaalsContact O-N 3.13Å
638	D	68.4	Low	75.4	Confident	82 Å²	82	48.7 Å²	48.7	44%	0.439	26%	0.263	S	S	.	.	S	Bend	trans	43.8	49.3	177.5	-65.6	-38.8	0	0	0	112.8	H52 K112	H52-D638 IonicContact CE1-OD2 3.68Å; H52-D638 PolarHBondContact CE1-OD2 3.43Å; H52-D638 VanDerWaalsContact CE1-OD2 3.31Å; K112-D638 PolarHBondContact NZ-O 3.48Å
639	F	78.9	Confident	77.2	Confident	26 Å²	26	45.4 Å²	45.4	11%	0.114	24%	0.244	C	C	.	.			trans	-69.9	149.4	-173.4	63.2	-97.4	0	0	0	112.2	P619 L621 I636 P637 D643 L652 W710 F711	P619-F639 HydrophobicContact CB-CE1 4.1Å; P619-F639 HydrophobicContact CB-CZ 3.87Å; P619-F639 HydrophobicContact CG-CE1 4.07Å; P619-F639 HydrophobicContact CG-CZ 3.84Å; L621-F639 HydrophobicContact CB-CB 4.04Å; L621-F639 HydrophobicContact CB-CD1 3.54Å; L621-F639 HydrophobicContact CB-CD2 4.36Å; L621-F639 HydrophobicContact CB-CE1 4.08Å; L621-F639 HydrophobicContact CB-CG 3.71Å; L621-F639 HydrophobicContact CD2-CB 3.65Å; L621-F639 HydrophobicContact CD2-CD2 4.19Å; L621-F639 HydrophobicContact CD2-CG 3.91Å; L621-F639 HydrophobicContact CG-CG 4.42Å; I636-F639 HydrophobicContact CB-CB 4.5Å; I636-F639 HydrophobicContact CG2-CB 3.86Å; P637-F639 PolarHBondContact O-N 3.15Å; P637-F639 VanDerWaalsContact O-N 3.13Å; F639-D643 VanDerWaalsContact CA-OD2 3.28Å; F639-D643 WeakPolarHBondContact CA-OD2 3.33Å; F639-D643 HydrophobicContact CB-CB 4.42Å; F639-L652 HydrophobicContact CE1-CD1 3.97Å; F639-L652 HydrophobicContact CE2-CD1 4.13Å; F639-L652 HydrophobicContact CZ-CD1 3.58Å; F639-W710 HydrophobicContact CE2-CB 4.43Å; F639-W710 HydrophobicContact CZ-CB 4.43Å; F639-F711 AromaticContact CD2-CD1 3.71Å; F639-F711 HydrophobicContact CD2-CD1 3.71Å; F639-F711 AromaticContact CD2-CE1 3.45Å; F639-F711 HydrophobicContact CD2-CE1 3.45Å; F639-F711 VanDerWaalsContact CD2-CE1 3.45Å; F639-F711 HydrophobicContact CD2-CG 4.49Å; F639-F711 HydrophobicContact CD2-CZ 4.01Å; F639-F711 AromaticContact CE2-CD1 3.95Å; F639-F711 HydrophobicContact CE2-CD1 3.95Å; F639-F711 HydrophobicContact CE2-CD2 4.48Å; F639-F711 AromaticContact CE2-CE1 3.8Å; F639-F711 HydrophobicContact CE2-CE1 3.8Å; F639-F711 HydrophobicContact CE2-CE2 4.32Å; F639-F711 HydrophobicContact CE2-CG 4.3Å; F639-F711 AromaticContact CE2-CZ 3.99Å; F639-F711 HydrophobicContact CE2-CZ 3.99Å
640	N	80	Confident	79	Confident	50 Å²	50	42.1 Å²	42.1	27%	0.267	21%	0.209	S	C	.	.			trans	-134.9	-174.1	170.8	66	48.2	0	0	0	110.2	D642 D643 F711	N640-D642 PolarHBondContact O-N 2.87Å; N640-D642 VanDerWaalsContact OD1-CA 3.28Å; N640-D642 WeakPolarHBondContact OD1-CA 3.26Å; N640-D642 WeakPolarHBondContact OD1-CB 3.25Å; N640-D642 PolarHBondContact OD1-N 2.78Å; N640-D643 PolarHBondContact N-OD2 2.8Å; N640-D643 WeakPolarHBondContact O-CB 3.39Å; N640-D643 PolarHBondContact O-N 3.34Å; N640-D643 PolarHBondContact OD1-N 2.83Å; N640-D643 PolarHBondContact OD1-OD2 3.26Å; N640-F711 VanDerWaalsContact C-CD1 3.43Å; N640-F711 WeakPolarHBondContact O-CE1 3.4Å
641	Q	84.4	Confident	80.6	Confident	11 Å²	11	33.2 Å²	33.2	5%	0.051	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-68.6	-23.9	-177.3	-168.9	-176.7	9.9	0	0	112.7	D643 L644 W714 D715 K718	Q641-D643 PolarHBondContact O-N 2.81Å; Q641-L644 PolarHBondContact O-N 3.42Å; Q641-W714 HydrophobicContact CB-CE3 3.94Å; Q641-W714 HydrophobicContact CB-CZ3 4.15Å; Q641-W714 HydrophobicContact CG-CD2 4.09Å; Q641-W714 HydrophobicContact CG-CE3 3.67Å; Q641-W714 HydrophobicContact CG-CH2 4.01Å; Q641-W714 HydrophobicContact CG-CZ2 4.41Å; Q641-W714 HydrophobicContact CG-CZ3 3.63Å; Q641-D715 PolarHBondContact NE2-O 2.83Å; Q641-D715 PolarHBondContact OE1-O 2.78Å; Q641-K718 HydrophobicContact CB-CD 4.46Å; Q641-K718 HydrophobicContact CG-CD 3.75Å; Q641-K718 PolarHBondContact O-NZ 2.89Å
642	D	80.3	Confident	81.6	Confident	117 Å²	117	30.4 Å²	30.4	63%	0.626	16%	0.164	S	C	*	.	G	3₁₀ helix	trans	-67.2	-21	175.1	-58	-29.6	0	0	0	114.1	N640 L644 K718	N640-D642 PolarHBondContact O-N 2.87Å; N640-D642 VanDerWaalsContact OD1-CA 3.28Å; N640-D642 WeakPolarHBondContact OD1-CA 3.26Å; N640-D642 WeakPolarHBondContact OD1-CB 3.25Å; N640-D642 PolarHBondContact OD1-N 2.78Å; D642-L644 VanDerWaalsContact C-N 3.29Å; D642-L644 PolarHBondContact O-N 3.2Å; D642-K718 VanDerWaalsContact OD1-CE 3.25Å; D642-K718 WeakPolarHBondContact OD1-CE 3.47Å; D642-K718 IonicContact OD1-NZ 2.86Å; D642-K718 PolarHBondContact OD1-NZ 3.13Å
643	D	80.9	Confident	82.6	Confident	14 Å²	14	28.4 Å²	28.4	8%	0.075	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-76.2	-12	175	-73	-64.8	0	0	0	114.1	K112 R146 L621 I636 F639 N640 Q641 F650	K112-D643 IonicContact NZ-OD1 3.32Å; K112-D643 PolarHBondContact NZ-OD1 3.2Å; K112-D643 IonicContact NZ-OD2 2.72Å; K112-D643 PolarHBondContact NZ-OD2 3.38Å; R146-D643 IonicContact CZ-OD1 3.7Å; R146-D643 IonicContact NE-OD1 3.65Å; R146-D643 VanDerWaalsContact NH2-CG 3.3Å; R146-D643 PolarHBondContact NH2-O 3.13Å; R146-D643 IonicContact NH2-OD1 2.98Å; R146-D643 PolarHBondContact NH2-OD1 3.27Å; L621-D643 HydrophobicContact CD2-CB 4.34Å; I636-D643 HydrophobicContact CG2-CB 4.22Å; F639-D643 VanDerWaalsContact CA-OD2 3.28Å; F639-D643 WeakPolarHBondContact CA-OD2 3.33Å; F639-D643 HydrophobicContact CB-CB 4.42Å; N640-D643 PolarHBondContact N-OD2 2.8Å; N640-D643 WeakPolarHBondContact O-CB 3.39Å; N640-D643 PolarHBondContact O-N 3.34Å; N640-D643 PolarHBondContact OD1-N 2.83Å; N640-D643 PolarHBondContact OD1-OD2 3.26Å; Q641-D643 PolarHBondContact O-N 2.81Å; D643-F650 WeakPolarHBondContact O-CE1 3.45Å; D643-F650 WeakPolarHBondContact O-CZ 3.38Å
644	L	87.3	Confident	83	Confident	4 Å²	4	27.2 Å²	27.2	2%	0.021	14%	0.143	C	C	.	.			trans	-90.7	101.7	178.1	-65.6	176.5	0	0	0	111	L621 Q641 D642 F650 W661 F707 F711 W714	L621-L644 HydrophobicContact CD1-CD2 4.25Å; L621-L644 HydrophobicContact CD2-CD2 4.15Å; Q641-L644 PolarHBondContact O-N 3.42Å; D642-L644 VanDerWaalsContact C-N 3.29Å; D642-L644 PolarHBondContact O-N 3.2Å; L644-F650 HydrophobicContact CD2-CB 3.98Å; L644-F650 HydrophobicContact CD2-CD1 3.99Å; L644-F650 HydrophobicContact CD2-CD2 4.04Å; L644-F650 HydrophobicContact CD2-CG 3.73Å; L644-W661 HydrophobicContact CB-CH2 4.02Å; L644-W661 HydrophobicContact CB-CZ2 4.17Å; L644-W661 HydrophobicContact CB-CZ3 4.32Å; L644-W661 HydrophobicContact CD1-CD2 4.49Å; L644-W661 HydrophobicContact CD1-CZ2 4.34Å; L644-W661 HydrophobicContact CD2-CD2 4.18Å; L644-W661 HydrophobicContact CD2-CE3 4.18Å; L644-F707 HydrophobicContact CD1-CE1 4.06Å; L644-F707 HydrophobicContact CD1-CZ 4.15Å; L644-F711 HydrophobicContact CD1-CE1 4.1Å; L644-F711 HydrophobicContact CD1-CZ 3.91Å; L644-F711 HydrophobicContact CG-CE1 4.31Å; L644-F711 HydrophobicContact CG-CZ 4.38Å; L644-W714 HydrophobicContact CD1-CH2 3.72Å; L644-W714 HydrophobicContact CD1-CZ3 3.72Å
645	E	82.6	Confident	83.4	Confident	26 Å²	26	29.6 Å²	29.6	12%	0.121	15%	0.148	C	C	.	.			trans	-83.8	136.8	179.4	-63.7	-173.6	-164.2	0	0	111.9	M185 D647 D648 F650 W661	M185-E645 HydrophobicContact CE-CG 4.01Å; M185-E645 WeakPolarHBondContact CE-OE1 3.47Å; E645-D647 PolarHBondContact O-N 2.92Å; E645-D648 HydrophobicContact CB-CB 4.44Å; E645-D648 PolarHBondContact O-N 3.27Å; E645-F650 HydrophobicContact CB-CE2 4.12Å; E645-F650 HydrophobicContact CB-CZ 4.03Å; E645-F650 HydrophobicContact CG-CZ 4.3Å; E645-F650 VanDerWaalsContact N-CE2 3.29Å; E645-F650 VanDerWaalsContact N-CZ 3.33Å; E645-W661 VanDerWaalsContact O-CZ3 3.29Å; E645-W661 WeakPolarHBondContact O-CZ3 3.36Å
646	E	86.1	Confident	83.3	Confident	48 Å²	48	29.3 Å²	29.3	22%	0.224	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-21.8	-176.8	-53.7	-170.6	-132.8	0	0	113	G663 K664 H665 A666 Q700	E646-G663 CarbonylContact O-C 3.54Å; E646-G663 WeakPolarHBondContact O-CA 3.41Å; E646-K664 PolarHBondContact O-N 3.11Å; E646-K664 VanDerWaalsContact O-N 3.09Å; E646-H665 CarbonylContact O-C 3.5Å; E646-H665 WeakPolarHBondContact O-CA 3.44Å; E646-H665 PolarHBondContact O-N 3.16Å; E646-A666 PolarHBondContact O-N 3.38Å; E646-Q700 VanDerWaalsContact CD-NE2 3.25Å; E646-Q700 PolarHBondContact OE2-NE2 2.78Å
647	D	82.3	Confident	84	Confident	55 Å²	55	29.8 Å²	29.8	29%	0.294	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-1.7	-175.9	-61.7	-46.4	0	0	0	113	E645 H665 A666	E645-D647 PolarHBondContact O-N 2.92Å; D647-H665 WeakPolarHBondContact OD1-CB 3.41Å; D647-H665 IonicContact OD1-CG 3.21Å; D647-A666 WeakPolarHBondContact O-CA 3.37Å
648	D	86.3	Confident	85.2	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.141	C	C	.	.	S	Bend	trans	-128.4	171.9	-173.8	-77	-43.8	0	0	0	113.2	K145 E623 S625 Q627 E645 F650 G663	K145-D648 IonicContact NZ-OD1 3.5Å; K145-D648 IonicContact NZ-OD2 3.6Å; K145-D648 PolarHBondContact NZ-OD2 3.48Å; E623-D648 HydrophobicContact CG-CB 4.49Å; S625-D648 WeakPolarHBondContact CB-OD1 3.26Å; S625-D648 PolarHBondContact OG-OD1 2.89Å; Q627-D648 PolarHBondContact NE2-OD1 2.91Å; Q627-D648 PolarHBondContact NE2-OD2 3.5Å; E645-D648 HydrophobicContact CB-CB 4.44Å; E645-D648 PolarHBondContact O-N 3.27Å; D648-F650 HydrophobicContact CB-CE2 3.78Å; D648-F650 HydrophobicContact CB-CZ 4.3Å; D648-G663 WeakPolarHBondContact O-CA 3.3Å; D648-G663 PolarHBondContact O-N 3.03Å; D648-G663 VanDerWaalsContact O-N 3.07Å
649	V	92.1	Very high	86.5	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	141.6	175	179	0	0	0	0	109.6	C624 F660 W661 A666 E670 K671 A674	C624-V649 WeakPolarHBondContact CA-O 3.41Å; C624-V649 HydrophobicContact CB-CB 4.27Å; C624-V649 WeakPolarHBondContact CB-O 3.4Å; C624-V649 PolarHBondContact N-O 3.43Å; C624-V649 PolarHBondContact O-N 2.8Å; V649-F660 HydrophobicContact CG1-CD1 4.15Å; V649-F660 HydrophobicContact CG1-CE1 3.53Å; V649-F660 HydrophobicContact CG1-CE2 4.05Å; V649-F660 HydrophobicContact CG1-CZ 3.48Å; V649-F660 VanDerWaalsContact CG1-CZ 3.48Å; V649-W661 WeakPolarHBondContact CA-O 3.34Å; V649-W661 WeakPolarHBondContact CG1-O 3.38Å; V649-A666 HydrophobicContact CG2-CB 3.89Å; V649-E670 HydrophobicContact CG2-CB 4.36Å; V649-K671 HydrophobicContact CG2-CG 3.82Å; V649-A674 HydrophobicContact CB-CB 4.16Å; V649-A674 HydrophobicContact CG1-CB 3.69Å
650	F	94.1	Very high	87.2	Confident	0 Å²	0	24 Å²	24	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	142.6	-178.7	-67.7	-102.1	0	0	0	112.1	L621 F622 E623 I636 D643 L644 E645 D648 F660 W661	L621-F650 HydrophobicContact CD1-CB 4.14Å; L621-F650 HydrophobicContact CD1-CD1 4.43Å; L621-F650 HydrophobicContact CD2-CD1 4.18Å; L621-F650 HydrophobicContact CG-CD1 4.18Å; F622-F650 CarbonylContact O-C 3.5Å; F622-F650 WeakPolarHBondContact O-CA 3.33Å; E623-F650 HydrophobicContact CB-CD1 4.1Å; E623-F650 HydrophobicContact CB-CE1 3.73Å; E623-F650 HydrophobicContact CB-CZ 4.34Å; E623-F650 HydrophobicContact CG-CE1 3.84Å; E623-F650 HydrophobicContact CG-CZ 3.93Å; I636-F650 HydrophobicContact CD1-CD1 3.74Å; I636-F650 HydrophobicContact CD1-CE1 3.64Å; D643-F650 WeakPolarHBondContact O-CE1 3.45Å; D643-F650 WeakPolarHBondContact O-CZ 3.38Å; L644-F650 HydrophobicContact CD2-CB 3.98Å; L644-F650 HydrophobicContact CD2-CD1 3.99Å; L644-F650 HydrophobicContact CD2-CD2 4.04Å; L644-F650 HydrophobicContact CD2-CG 3.73Å; E645-F650 HydrophobicContact CB-CE2 4.12Å; E645-F650 HydrophobicContact CB-CZ 4.03Å; E645-F650 HydrophobicContact CG-CZ 4.3Å; E645-F650 VanDerWaalsContact N-CE2 3.29Å; E645-F650 VanDerWaalsContact N-CZ 3.33Å; D648-F650 HydrophobicContact CB-CE2 3.78Å; D648-F650 HydrophobicContact CB-CZ 4.3Å; F650-F660 CarbonylContact O-C 3.59Å; F650-W661 HydrophobicContact CB-CB 4.3Å; F650-W661 HydrophobicContact CB-CE3 4.24Å; F650-W661 AromaticContact CD2-CE3 3.55Å; F650-W661 HydrophobicContact CD2-CE3 3.55Å; F650-W661 AromaticContact CD2-CZ3 3.64Å; F650-W661 HydrophobicContact CD2-CZ3 3.64Å; F650-W661 HydrophobicContact CE2-CE3 4.36Å; F650-W661 AromaticContact CE2-CZ3 3.99Å; F650-W661 HydrophobicContact CE2-CZ3 3.99Å; F650-W661 HydrophobicContact CG-CE3 4.27Å; F650-W661 PolarHBondContact N-O 2.82Å; F650-W661 PolarHBondContact O-N 3.26Å
651	L	94	Very high	88	Confident	6 Å²	6	21.6 Å²	21.6	3%	0.031	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	118.3	171.6	-54.1	178.1	0	0	0	109.1	L621 F622 V658 F659 F660 A678	L621-L651 CarbonylContact C-O 3.54Å; L621-L651 WeakPolarHBondContact CA-O 3.13Å; F622-L651 HydrophobicContact CB-CB 4.24Å; F622-L651 HydrophobicContact CD2-CB 4.44Å; F622-L651 PolarHBondContact N-O 3.25Å; F622-L651 PolarHBondContact O-N 3.01Å; L651-V658 HydrophobicContact CB-CG1 4.41Å; L651-F659 CarbonylContact C-O 3.03Å; L651-F659 VanDerWaalsContact CA-O 3.28Å; L651-F659 WeakPolarHBondContact CA-O 3.41Å; L651-F660 HydrophobicContact CD2-CB 4.4Å; L651-F660 HydrophobicContact CD2-CD2 3.27Å; L651-F660 HydrophobicContact CD2-CE2 3.74Å; L651-F660 HydrophobicContact CD2-CG 4.11Å; L651-A678 HydrophobicContact CD1-CB 3.96Å; L651-A678 HydrophobicContact CD2-CB 3.92Å
652	L	92.9	Very high	88.5	Confident	1 Å²	1	22.4 Å²	22.4	1%	0.005	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	102.8	171.6	176.6	67	0	0	0	108.9	P619 R620 L621 F639 V654 V658 F659 F707 W710 F711	P619-L652 HydrophobicContact CB-CD1 4.09Å; R620-L652 CarbonylContact O-C 3.51Å; R620-L652 WeakPolarHBondContact O-CA 3.41Å; L621-L652 HydrophobicContact CB-CD1 4.22Å; L621-L652 HydrophobicContact CD1-CB 3.79Å; L621-L652 HydrophobicContact CD1-CD1 4.08Å; L621-L652 HydrophobicContact CD1-CG 4.47Å; F639-L652 HydrophobicContact CE1-CD1 3.97Å; F639-L652 HydrophobicContact CE2-CD1 4.13Å; F639-L652 HydrophobicContact CZ-CD1 3.58Å; L652-V654 HydrophobicContact CD1-CG1 4.49Å; L652-V654 HydrophobicContact CD2-CG1 4.34Å; L652-V654 HydrophobicContact CG-CG1 3.98Å; L652-V658 WeakPolarHBondContact O-CA 3.42Å; L652-F659 HydrophobicContact CB-CB 4.13Å; L652-F659 HydrophobicContact CB-CD2 4.38Å; L652-F659 HydrophobicContact CD2-CD2 4.01Å; L652-F659 HydrophobicContact CG-CD2 4.27Å; L652-F659 PolarHBondContact N-O 2.98Å; L652-F659 PolarHBondContact O-N 2.82Å; L652-F707 HydrophobicContact CB-CE2 4.15Å; L652-F707 HydrophobicContact CD2-CD2 3.81Å; L652-F707 HydrophobicContact CD2-CE2 3.68Å; L652-F707 HydrophobicContact CD2-CZ 4.45Å; L652-W710 HydrophobicContact CD2-CB 4.11Å; L652-W710 HydrophobicContact CD2-CG 4.23Å; L652-F711 HydrophobicContact CD2-CE2 4.26Å
653	D	89.6	Confident	89	Confident	5 Å²	5	16.9 Å²	16.9	3%	0.027	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	116.8	175.2	-178.1	14	0	0	0	110.2	P619 R620 F622 W655 V658 Y681 R689	P619-D653 CarbonylContact C-O 3.53Å; P619-D653 WeakPolarHBondContact CA-O 3.41Å; R620-D653 PolarHBondContact N-O 3.17Å; R620-D653 PolarHBondContact O-N 3.35Å; F622-D653 HydrophobicContact CE2-CB 4.36Å; D653-W655 WeakPolarHBondContact OD1-CA 3.23Å; D653-W655 PolarHBondContact OD1-N 3.42Å; D653-V658 HydrophobicContact CB-CG2 4.45Å; D653-Y681 HydrophobicContact CB-CE1 4.15Å; D653-Y681 VanDerWaalsContact OD2-CE1 3.26Å; D653-Y681 WeakPolarHBondContact OD2-CE1 3.39Å; D653-Y681 PolarHBondContact OD2-OH 3.32Å; D653-R689 IonicContact OD1-CZ 2.66Å; D653-R689 IonicContact OD1-NH1 3.81Å; D653-R689 PolarHBondContact OD1-NH1 2.79Å; D653-R689 IonicContact OD1-NH2 2.71Å; D653-R689 PolarHBondContact OD1-NH2 3.05Å; D653-R689 IonicContact OD2-CZ 3.18Å; D653-R689 IonicContact OD2-NH1 3.97Å; D653-R689 PolarHBondContact OD2-NH1 3.43Å; D653-R689 IonicContact OD2-NH2 3.28Å; D653-R689 PolarHBondContact OD2-NH2 2.82Å
654	V	86.3	Confident	89.4	Confident	3 Å²	3	23.5 Å²	23.5	2%	0.018	11%	0.109	C	C	.	.			trans	-112.5	26.3	175.9	-56.3	0	0	0	0	111.6	I617 P619 L652 D656 Q657 F659 W710	I617-V654 HydrophobicContact CG2-CB 4.44Å; I617-V654 WeakPolarHBondContact CG2-O 3.28Å; P619-V654 HydrophobicContact CB-CG1 4.04Å; L652-V654 HydrophobicContact CD1-CG1 4.49Å; L652-V654 HydrophobicContact CD2-CG1 4.34Å; L652-V654 HydrophobicContact CG-CG1 3.98Å; V654-D656 VanDerWaalsContact C-N 3.29Å; V654-D656 PolarHBondContact O-N 2.88Å; V654-Q657 HydrophobicContact CG2-CB 4.02Å; V654-Q657 VanDerWaalsContact CG2-O 3.24Å; V654-Q657 WeakPolarHBondContact CG2-O 3.47Å; V654-Q657 PolarHBondContact N-O 3.18Å; V654-F659 HydrophobicContact CG1-CD2 4.39Å; V654-F659 HydrophobicContact CG1-CE2 4.22Å; V654-F659 HydrophobicContact CG2-CD2 4.41Å; V654-F659 HydrophobicContact CG2-CE2 3.94Å; V654-W710 HydrophobicContact CB-CZ2 3.99Å; V654-W710 HydrophobicContact CG1-CD2 4.05Å; V654-W710 HydrophobicContact CG1-CG 4.26Å; V654-W710 HydrophobicContact CG1-CZ2 4.01Å
655	W	82.9	Confident	89.2	Confident	87 Å²	87	28.2 Å²	28.2	33%	0.33	13%	0.13	S	C	.	.	S	Bend	trans	72.7	-59.3	-179.1	-168	-95.4	0	0	0	115.5	I617 D653 R689	I617-W655 HydrophobicContact CG1-CB 4.45Å; I617-W655 HydrophobicContact CG2-CB 4.27Å; D653-W655 WeakPolarHBondContact OD1-CA 3.23Å; D653-W655 PolarHBondContact OD1-N 3.42Å; W655-R689 VanDerWaalsContact C-NH2 3.29Å; W655-R689 VanDerWaalsContact CA-NH2 3.34Å; W655-R689 PolarHBondContact O-NE 2.9Å; W655-R689 PolarHBondContact O-NH2 3.2Å
656	D	79	Confident	89.4	Confident	45 Å²	45	27.3 Å²	27.3	24%	0.241	13%	0.127	C	C	.	.	S	Bend	trans	-84.8	-17.2	-178.4	73.9	-67.9	0	0	0	113.2	K391 V654	K391-D656 WeakPolarHBondContact CD-OD2 3.14Å; K391-D656 WeakPolarHBondContact CE-OD1 3.25Å; K391-D656 WeakPolarHBondContact CE-OD2 3.36Å; K391-D656 IonicContact NZ-OD1 3.52Å; K391-D656 PolarHBondContact NZ-OD1 3.19Å; K391-D656 IonicContact NZ-OD2 3.16Å; K391-D656 PolarHBondContact NZ-OD2 2.93Å; V654-D656 VanDerWaalsContact C-N 3.29Å; V654-D656 PolarHBondContact O-N 2.88Å
657	Q	88.2	Confident	89.3	Confident	13 Å²	13	27.6 Å²	27.6	6%	0.061	13%	0.13	C	C	.	.			trans	-144.1	153	-179.8	-66.8	165.8	57.7	0	0	109.3	V654 P694 I696	V654-Q657 HydrophobicContact CG2-CB 4.02Å; V654-Q657 VanDerWaalsContact CG2-O 3.24Å; V654-Q657 WeakPolarHBondContact CG2-O 3.47Å; V654-Q657 PolarHBondContact N-O 3.18Å; Q657-P694 HydrophobicContact CG-CB 4.25Å; Q657-P694 HydrophobicContact CG-CG 4.48Å; Q657-I696 HydrophobicContact CB-CD1 4.44Å
658	V	92.3	Very high	89.5	Confident	1 Å²	1	30.5 Å²	30.5	1%	0.006	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	119.6	171.8	-179	0	0	0	0	108.4	L651 L652 D653 L682 T693 P694 I695 I696	L651-V658 HydrophobicContact CB-CG1 4.41Å; L652-V658 WeakPolarHBondContact O-CA 3.42Å; D653-V658 HydrophobicContact CB-CG2 4.45Å; V658-L682 HydrophobicContact CG2-CD2 4.12Å; V658-T693 HydrophobicContact CG2-CG2 4.21Å; V658-P694 PolarHBondContact N-O 3.14Å; V658-I695 CarbonylContact O-C 3.5Å; V658-I695 VanDerWaalsContact O-CA 3.31Å; V658-I695 WeakPolarHBondContact O-CA 3.47Å; V658-I696 PolarHBondContact O-N 3.28Å
659	F	95.2	Very high	89.3	Confident	4 Å²	4	37.3 Å²	37.3	2%	0.018	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	135	170.5	-59	-93.5	0	0	0	109.8	L651 L652 V654 I696 V698 T706 F707	L651-F659 CarbonylContact C-O 3.03Å; L651-F659 VanDerWaalsContact CA-O 3.28Å; L651-F659 WeakPolarHBondContact CA-O 3.41Å; L652-F659 HydrophobicContact CB-CB 4.13Å; L652-F659 HydrophobicContact CB-CD2 4.38Å; L652-F659 HydrophobicContact CD2-CD2 4.01Å; L652-F659 HydrophobicContact CG-CD2 4.27Å; L652-F659 PolarHBondContact N-O 2.98Å; L652-F659 PolarHBondContact O-N 2.82Å; V654-F659 HydrophobicContact CG1-CD2 4.39Å; V654-F659 HydrophobicContact CG1-CE2 4.22Å; V654-F659 HydrophobicContact CG2-CD2 4.41Å; V654-F659 HydrophobicContact CG2-CE2 3.94Å; F659-I696 CarbonylContact C-O 3.25Å; F659-I696 WeakPolarHBondContact CA-O 3.48Å; F659-I696 HydrophobicContact CD1-CB 3.64Å; F659-I696 HydrophobicContact CD1-CD1 4.06Å; F659-I696 HydrophobicContact CD1-CG1 4.4Å; F659-I696 HydrophobicContact CD1-CG2 3.66Å; F659-I696 HydrophobicContact CE1-CB 4.05Å; F659-I696 HydrophobicContact CE1-CD1 3.61Å; F659-I696 HydrophobicContact CE1-CG1 4.41Å; F659-I696 HydrophobicContact CE1-CG2 3.92Å; F659-I696 HydrophobicContact CG-CB 4.38Å; F659-I696 HydrophobicContact CZ-CD1 4.08Å; F659-V698 HydrophobicContact CB-CG2 4.46Å; F659-V698 HydrophobicContact CD1-CG2 3.76Å; F659-T706 WeakPolarHBondContact CZ-O 3.31Å; F659-F707 HydrophobicContact CB-CD2 3.74Å; F659-F707 HydrophobicContact CB-CE2 3.93Å; F659-F707 HydrophobicContact CD1-CB 4.23Å; F659-F707 AromaticContact CD1-CD2 3.81Å; F659-F707 HydrophobicContact CD1-CD2 3.81Å; F659-F707 HydrophobicContact CD2-CD2 4.11Å; F659-F707 HydrophobicContact CE1-CB 4.07Å; F659-F707 HydrophobicContact CE1-CD2 4.41Å; F659-F707 AromaticContact CG-CD2 3.64Å; F659-F707 HydrophobicContact CG-CD2 3.64Å; F659-F707 HydrophobicContact CG-CE2 4.31Å; F659-F707 HydrophobicContact CZ-CB 4.46Å
660	F	95.3	Very high	88.9	Confident	13 Å²	13	37.4 Å²	37.4	6%	0.057	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	91.3	175.5	-169	-80.1	0	0	0	107.4	V649 F650 L651 I662 A674 A675 A678 I695 I696 V697 V698	V649-F660 HydrophobicContact CG1-CD1 4.15Å; V649-F660 HydrophobicContact CG1-CE1 3.53Å; V649-F660 HydrophobicContact CG1-CE2 4.05Å; V649-F660 HydrophobicContact CG1-CZ 3.48Å; V649-F660 VanDerWaalsContact CG1-CZ 3.48Å; F650-F660 CarbonylContact O-C 3.59Å; L651-F660 HydrophobicContact CD2-CB 4.4Å; L651-F660 HydrophobicContact CD2-CD2 3.27Å; L651-F660 HydrophobicContact CD2-CE2 3.74Å; L651-F660 HydrophobicContact CD2-CG 4.11Å; F660-I662 HydrophobicContact CD1-CD1 3.96Å; F660-I662 HydrophobicContact CD1-CG1 3.68Å; F660-I662 HydrophobicContact CE1-CD1 3.85Å; F660-I662 HydrophobicContact CE1-CG1 3.68Å; F660-A674 VanDerWaalsContact CE2-C 3.47Å; F660-A674 HydrophobicContact CE2-CB 3.68Å; F660-A674 HydrophobicContact CZ-CB 3.66Å; F660-A675 HydrophobicContact CE2-CB 4.16Å; F660-A675 HydrophobicContact CZ-CB 4.23Å; F660-A678 HydrophobicContact CD2-CB 4.43Å; F660-I695 HydrophobicContact CB-CG2 3.97Å; F660-I696 PolarHBondContact N-O 2.62Å; F660-V697 HydrophobicContact CB-CG2 4.41Å; F660-V697 HydrophobicContact CD1-CG1 4.39Å; F660-V697 WeakPolarHBondContact O-CA 3.5Å; F660-V698 PolarHBondContact O-N 2.92Å
661	W	96.4	Very high	88.5	Confident	1 Å²	1	39.7 Å²	39.7	0%	0.004	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	131.3	-177.3	-176	96.9	0	0	0	110.5	L644 E645 V649 F650 G663 V698 Q700 E703 F707 W719	L644-W661 HydrophobicContact CB-CH2 4.02Å; L644-W661 HydrophobicContact CB-CZ2 4.17Å; L644-W661 HydrophobicContact CB-CZ3 4.32Å; L644-W661 HydrophobicContact CD1-CD2 4.49Å; L644-W661 HydrophobicContact CD1-CZ2 4.34Å; L644-W661 HydrophobicContact CD2-CD2 4.18Å; L644-W661 HydrophobicContact CD2-CE3 4.18Å; E645-W661 VanDerWaalsContact O-CZ3 3.29Å; E645-W661 WeakPolarHBondContact O-CZ3 3.36Å; V649-W661 WeakPolarHBondContact CA-O 3.34Å; V649-W661 WeakPolarHBondContact CG1-O 3.38Å; F650-W661 HydrophobicContact CB-CB 4.3Å; F650-W661 HydrophobicContact CB-CE3 4.24Å; F650-W661 AromaticContact CD2-CE3 3.55Å; F650-W661 HydrophobicContact CD2-CE3 3.55Å; F650-W661 AromaticContact CD2-CZ3 3.64Å; F650-W661 HydrophobicContact CD2-CZ3 3.64Å; F650-W661 HydrophobicContact CE2-CE3 4.36Å; F650-W661 AromaticContact CE2-CZ3 3.99Å; F650-W661 HydrophobicContact CE2-CZ3 3.99Å; F650-W661 HydrophobicContact CG-CE3 4.27Å; F650-W661 PolarHBondContact N-O 2.82Å; F650-W661 PolarHBondContact O-N 3.26Å; W661-G663 VanDerWaalsContact CZ3-CA 3.42Å; W661-G663 VanDerWaalsContact CZ3-N 3.29Å; W661-V698 CarbonylContact C-O 3.59Å; W661-V698 VanDerWaalsContact CA-O 3.28Å; W661-V698 WeakPolarHBondContact CA-O 3.27Å; W661-Q700 HydrophobicContact CH2-CB 4.16Å; W661-Q700 HydrophobicContact CH2-CG 4.32Å; W661-Q700 HydrophobicContact CZ2-CB 3.62Å; W661-Q700 HydrophobicContact CZ2-CG 3.8Å; W661-E703 PolarHBondContact NE1-OE1 3.34Å; W661-F707 HydrophobicContact CB-CE2 4.15Å; W661-F707 HydrophobicContact CB-CZ 4.03Å; W661-F707 AromaticContact CD1-CE1 3.78Å; W661-F707 AromaticContact CD1-CZ 3.55Å; W661-F707 HydrophobicContact CG-CE2 4.49Å; W661-F707 AromaticContact CG-CZ 3.93Å; W661-F707 HydrophobicContact CG-CZ 3.93Å; W661-W719 HydrophobicContact CZ2-CZ2 4.09Å
662	I	93.9	Very high	88.1	Confident	27 Å²	27	46.2 Å²	46.2	14%	0.138	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	117.3	-175.8	-56	178.4	0	0	0	109.5	F660 A666 K671 V697 V698 K699 Q700	F660-I662 HydrophobicContact CD1-CD1 3.96Å; F660-I662 HydrophobicContact CD1-CG1 3.68Å; F660-I662 HydrophobicContact CE1-CD1 3.85Å; F660-I662 HydrophobicContact CE1-CG1 3.68Å; I662-A666 HydrophobicContact CG2-CB 4.22Å; I662-K671 HydrophobicContact CG2-CD 4.14Å; I662-K671 HydrophobicContact CG2-CG 4.32Å; I662-V697 HydrophobicContact CD1-CG1 3.66Å; I662-V697 HydrophobicContact CG1-CG1 4.36Å; I662-V698 PolarHBondContact N-O 3.22Å; I662-K699 HydrophobicContact CB-CG 4.46Å; I662-Q700 PolarHBondContact O-N 2.84Å
663	G	91.1	Very high	87.6	Confident	2 Å²	2	47.4 Å²	47.4	2%	0.021	22%	0.222	C	C	.	.			trans	-64.5	148.7	170.9	0	0	0	0	0	112.2	E646 D648 W661 H665 A666	E646-G663 CarbonylContact O-C 3.54Å; E646-G663 WeakPolarHBondContact O-CA 3.41Å; D648-G663 WeakPolarHBondContact O-CA 3.3Å; D648-G663 PolarHBondContact O-N 3.03Å; D648-G663 VanDerWaalsContact O-N 3.07Å; W661-G663 VanDerWaalsContact CZ3-CA 3.42Å; W661-G663 VanDerWaalsContact CZ3-N 3.29Å; G663-H665 PolarHBondContact O-N 3.46Å; G663-A666 VanDerWaalsContact O-CB 3.32Å; G663-A666 WeakPolarHBondContact O-CB 3.47Å; G663-A666 PolarHBondContact O-N 2.75Å
664	K	88.9	Confident	87.4	Confident	153 Å²	153	47.1 Å²	47.1	67%	0.665	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-30	-176.7	-175.9	176.4	-177.5	-178.4	0	113.4	E646 Q700	E646-K664 PolarHBondContact O-N 3.11Å; E646-K664 VanDerWaalsContact O-N 3.09Å; K664-Q700 HydrophobicContact CB-CB 4.43Å
665	H	84.5	Confident	87.4	Confident	103 Å²	103	49.2 Å²	49.2	48%	0.477	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	6	-176.5	-61	-58	0	0	0	112.8	E646 D647 G663	E646-H665 CarbonylContact O-C 3.5Å; E646-H665 WeakPolarHBondContact O-CA 3.44Å; E646-H665 PolarHBondContact O-N 3.16Å; D647-H665 WeakPolarHBondContact OD1-CB 3.41Å; D647-H665 IonicContact OD1-CG 3.21Å; G663-H665 PolarHBondContact O-N 3.46Å
666	A	86.3	Confident	87.5	Confident	6 Å²	6	50.8 Å²	50.8	5%	0.05	25%	0.252	C	S	.	.			trans	-56.8	138.1	178.5	0	0	0	0	0	112.6	E646 D647 V649 I662 G663 K671	E646-A666 PolarHBondContact O-N 3.38Å; D647-A666 WeakPolarHBondContact O-CA 3.37Å; V649-A666 HydrophobicContact CG2-CB 3.89Å; I662-A666 HydrophobicContact CG2-CB 4.22Å; G663-A666 VanDerWaalsContact O-CB 3.32Å; G663-A666 WeakPolarHBondContact O-CB 3.47Å; G663-A666 PolarHBondContact O-N 2.75Å; A666-K671 WeakPolarHBondContact O-CE 3.47Å; A666-K671 PolarHBondContact O-NZ 3.2Å
667	N	84.6	Confident	87.8	Confident	54 Å²	54	50.4 Å²	50.4	29%	0.289	25%	0.251	S	S	.	.			trans	-80.6	154	-173.9	81.4	49	0	0	0	112.3	N626 E669 E670 K671	N626-N667 PolarHBondContact OD1-ND2 3.26Å; N667-E669 VanDerWaalsContact C-N 3.31Å; N667-E669 PolarHBondContact O-N 3.39Å; N667-E669 PolarHBondContact OD1-N 3.03Å; N667-E669 VanDerWaalsContact OD1-N 3.17Å; N667-E670 PolarHBondContact N-OE2 3.32Å; N667-E670 WeakPolarHBondContact ND2-CG 3.39Å; N667-E670 PolarHBondContact ND2-OE1 2.91Å; N667-E670 PolarHBondContact ND2-OE2 2.88Å; N667-E670 PolarHBondContact O-N 2.71Å; N667-E670 VanDerWaalsContact OD1-CB 3.24Å; N667-E670 WeakPolarHBondContact OD1-CB 3.41Å; N667-E670 VanDerWaalsContact OD1-CG 3.24Å; N667-E670 WeakPolarHBondContact OD1-CG 3.3Å; N667-E670 PolarHBondContact OD1-N 2.83Å; N667-K671 WeakPolarHBondContact O-CG 3.27Å; N667-K671 PolarHBondContact O-N 2.87Å; N667-K671 VanDerWaalsContact O-N 3.11Å
668	E	85.6	Confident	87.7	Confident	116 Å²	116	49.9 Å²	49.9	54%	0.542	25%	0.249	S	C	.	.	H	α-helix	trans	-70.1	-26.5	-174.4	-72	-59	126.7	0	0	113.6	K671 K672	E668-K671 WeakPolarHBondContact OE1-CD 3.42Å; E668-K671 IonicContact OE1-NZ 3.06Å; E668-K671 PolarHBondContact OE1-NZ 3.22Å; E668-K672 WeakPolarHBondContact O-CG 3.44Å; E668-K672 PolarHBondContact O-N 3.4Å
669	E	82.8	Confident	87.3	Confident	144 Å²	144	52.1 Å²	52.1	67%	0.673	26%	0.259	S	S	*	.	H	α-helix	trans	-73	-41.6	177.4	-65.2	-172.7	170.6	0	0	111.2	N667 K672 A673	N667-E669 VanDerWaalsContact C-N 3.31Å; N667-E669 PolarHBondContact O-N 3.39Å; N667-E669 PolarHBondContact OD1-N 3.03Å; N667-E669 VanDerWaalsContact OD1-N 3.17Å; E669-K672 PolarHBondContact O-N 3.5Å; E669-A673 VanDerWaalsContact O-CB 3.31Å; E669-A673 WeakPolarHBondContact O-CB 3.36Å; E669-A673 PolarHBondContact O-N 3.47Å
670	E	82.3	Confident	86.7	Confident	1 Å²	1	56.4 Å²	56.4	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-61.2	-46.2	173	-79.2	169.6	166.4	0	0	111	S625 N626 V649 N667 K672 A673 A674	S625-E670 VanDerWaalsContact CA-OE1 3.3Å; S625-E670 WeakPolarHBondContact CA-OE1 3.32Å; S625-E670 PolarHBondContact OG-OE1 2.98Å; S625-E670 VanDerWaalsContact OG-OE1 3.05Å; N626-E670 HydrophobicContact CB-CG 4.01Å; N626-E670 PolarHBondContact N-OE1 3Å; N626-E670 WeakPolarHBondContact OD1-CG 3.36Å; N626-E670 PolarHBondContact OD1-OE1 3.02Å; V649-E670 HydrophobicContact CG2-CB 4.36Å; N667-E670 PolarHBondContact N-OE2 3.32Å; N667-E670 WeakPolarHBondContact ND2-CG 3.39Å; N667-E670 PolarHBondContact ND2-OE1 2.91Å; N667-E670 PolarHBondContact ND2-OE2 2.88Å; N667-E670 PolarHBondContact O-N 2.71Å; N667-E670 VanDerWaalsContact OD1-CB 3.24Å; N667-E670 WeakPolarHBondContact OD1-CB 3.41Å; N667-E670 VanDerWaalsContact OD1-CG 3.24Å; N667-E670 WeakPolarHBondContact OD1-CG 3.3Å; N667-E670 PolarHBondContact OD1-N 2.83Å; E670-K672 VanDerWaalsContact C-N 3.3Å; E670-K672 PolarHBondContact O-N 3.47Å; E670-A673 PolarHBondContact O-N 2.72Å; E670-A674 WeakPolarHBondContact O-CA 3.46Å; E670-A674 WeakPolarHBondContact O-CB 3.45Å; E670-A674 PolarHBondContact O-N 2.8Å
671	K	87.3	Confident	86.1	Confident	48 Å²	48	57.6 Å²	57.6	21%	0.209	28%	0.284	C	S	.	.	H	α-helix	trans	-55.8	-46	175.9	-70.2	172.2	-160.5	167.9	0	111.6	V649 I662 A666 N667 E668 A675	V649-K671 HydrophobicContact CG2-CG 3.82Å; I662-K671 HydrophobicContact CG2-CD 4.14Å; I662-K671 HydrophobicContact CG2-CG 4.32Å; A666-K671 WeakPolarHBondContact O-CE 3.47Å; A666-K671 PolarHBondContact O-NZ 3.2Å; N667-K671 WeakPolarHBondContact O-CG 3.27Å; N667-K671 PolarHBondContact O-N 2.87Å; N667-K671 VanDerWaalsContact O-N 3.11Å; E668-K671 WeakPolarHBondContact OE1-CD 3.42Å; E668-K671 IonicContact OE1-NZ 3.06Å; E668-K671 PolarHBondContact OE1-NZ 3.22Å; K671-A675 WeakPolarHBondContact O-CB 3.47Å; K671-A675 PolarHBondContact O-N 2.85Å
672	K	85	Confident	85.5	Confident	144 Å²	144	57.6 Å²	57.6	63%	0.626	28%	0.284	S	S	*	.	H	α-helix	trans	-67.5	-47.9	179.1	-71.5	172.5	-174.8	173	0	112	E668 E669 E670 A675 I676	E668-K672 WeakPolarHBondContact O-CG 3.44Å; E668-K672 PolarHBondContact O-N 3.4Å; E669-K672 PolarHBondContact O-N 3.5Å; E670-K672 VanDerWaalsContact C-N 3.3Å; E670-K672 PolarHBondContact O-N 3.47Å; K672-A675 PolarHBondContact O-N 2.92Å; K672-I676 WeakPolarHBondContact O-CG1 3.43Å; K672-I676 PolarHBondContact O-N 2.84Å; K672-I676 VanDerWaalsContact O-N 3.15Å
673	A	82.1	Confident	84.9	Confident	25 Å²	25	62.4 Å²	62.4	21%	0.207	30%	0.303	C	S	.	.	H	α-helix	trans	-67.6	-37.6	-178.4	0	0	0	0	0	112.1	F631 E669 E670 I676 T677	F631-A673 HydrophobicContact CB-CB 4.16Å; F631-A673 HydrophobicContact CD1-CB 3.98Å; F631-A673 HydrophobicContact CD2-CB 3.28Å; F631-A673 HydrophobicContact CE1-CB 4.26Å; F631-A673 HydrophobicContact CE2-CB 3.56Å; F631-A673 HydrophobicContact CG-CB 3.5Å; F631-A673 VanDerWaalsContact CG-CB 3.5Å; F631-A673 HydrophobicContact CZ-CB 4.06Å; E669-A673 VanDerWaalsContact O-CB 3.31Å; E669-A673 WeakPolarHBondContact O-CB 3.36Å; E669-A673 PolarHBondContact O-N 3.47Å; E670-A673 PolarHBondContact O-N 2.72Å; A673-I676 PolarHBondContact O-N 2.92Å; A673-T677 WeakPolarHBondContact O-CB 3.22Å; A673-T677 PolarHBondContact O-N 3.39Å; A673-T677 PolarHBondContact O-OG1 3.38Å
674	A	86.4	Confident	84	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-64.1	-40.2	173	0	0	0	0	0	111.4	C624 F631 V649 F660 E670 I676 T677 A678	C624-A674 HydrophobicContact CB-CB 3.63Å; F631-A674 HydrophobicContact CE2-CB 4.06Å; F631-A674 VanDerWaalsContact CZ-CA 3.48Å; F631-A674 HydrophobicContact CZ-CB 3.96Å; V649-A674 HydrophobicContact CB-CB 4.16Å; V649-A674 HydrophobicContact CG1-CB 3.69Å; F660-A674 VanDerWaalsContact CE2-C 3.47Å; F660-A674 HydrophobicContact CE2-CB 3.68Å; F660-A674 HydrophobicContact CZ-CB 3.66Å; E670-A674 WeakPolarHBondContact O-CA 3.46Å; E670-A674 WeakPolarHBondContact O-CB 3.45Å; E670-A674 PolarHBondContact O-N 2.8Å; A674-I676 VanDerWaalsContact C-N 3.34Å; A674-I676 PolarHBondContact O-N 2.86Å; A674-T677 CarbonylContact O-C 3.56Å; A674-T677 PolarHBondContact O-N 3.27Å; A674-T677 VanDerWaalsContact O-N 3.14Å; A674-A678 PolarHBondContact O-N 3.12Å
675	A	85.8	Confident	83.2	Confident	46 Å²	46	58.9 Å²	58.9	38%	0.38	29%	0.294	S	S	.	.	H	α-helix	trans	-63.2	-41.4	177.8	0	0	0	0	0	111.8	F660 K671 K672 T677 Q679	F660-A675 HydrophobicContact CE2-CB 4.16Å; F660-A675 HydrophobicContact CZ-CB 4.23Å; K671-A675 WeakPolarHBondContact O-CB 3.47Å; K671-A675 PolarHBondContact O-N 2.85Å; K672-A675 PolarHBondContact O-N 2.92Å; A675-T677 VanDerWaalsContact C-N 3.33Å; A675-Q679 PolarHBondContact O-N 2.85Å
676	I	84.4	Confident	82	Confident	121 Å²	121	55.7 Å²	55.7	62%	0.621	28%	0.282	S	S	*	.	H	α-helix	trans	-63.5	-43.3	172.5	-64	167.1	0	0	0	110.1	K672 A673 A674 A678 Q679 E680	K672-I676 WeakPolarHBondContact O-CG1 3.43Å; K672-I676 PolarHBondContact O-N 2.84Å; K672-I676 VanDerWaalsContact O-N 3.15Å; A673-I676 PolarHBondContact O-N 2.92Å; A674-I676 VanDerWaalsContact C-N 3.34Å; A674-I676 PolarHBondContact O-N 2.86Å; I676-A678 PolarHBondContact O-N 3.09Å; I676-Q679 WeakPolarHBondContact O-CB 3.42Å; I676-Q679 PolarHBondContact O-N 2.8Å; I676-E680 WeakPolarHBondContact O-CB 3.34Å; I676-E680 PolarHBondContact O-N 2.8Å
677	T	84.8	Confident	81	Confident	37 Å²	37	55.9 Å²	55.9	23%	0.227	28%	0.283	C	S	.	.	H	α-helix	trans	-66.5	-36.7	-178.4	-60	0	0	0	0	112.6	F631 A633 A673 A674 A675 Q679 E680 Y681	F631-T677 HydrophobicContact CE1-CG2 4.15Å; F631-T677 WeakPolarHBondContact CE1-OG1 3.37Å; A633-T677 HydrophobicContact CB-CG2 3.91Å; A673-T677 WeakPolarHBondContact O-CB 3.22Å; A673-T677 PolarHBondContact O-N 3.39Å; A673-T677 PolarHBondContact O-OG1 3.38Å; A674-T677 CarbonylContact O-C 3.56Å; A674-T677 PolarHBondContact O-N 3.27Å; A674-T677 VanDerWaalsContact O-N 3.14Å; A675-T677 VanDerWaalsContact C-N 3.33Å; T677-Q679 VanDerWaalsContact C-N 3.31Å; T677-Q679 PolarHBondContact O-N 2.79Å; T677-E680 PolarHBondContact O-N 2.85Å; T677-Y681 WeakPolarHBondContact O-CB 3.42Å; T677-Y681 PolarHBondContact O-N 2.82Å
678	A	86.3	Confident	80.2	Confident	1 Å²	1	56 Å²	56	1%	0.008	30%	0.297	C	S	.	.	H	α-helix	trans	-61.7	-40.7	174.3	0	0	0	0	0	111.7	L651 F660 A674 I676 L682 I695	L651-A678 HydrophobicContact CD1-CB 3.96Å; L651-A678 HydrophobicContact CD2-CB 3.92Å; F660-A678 HydrophobicContact CD2-CB 4.43Å; A674-A678 PolarHBondContact O-N 3.12Å; I676-A678 PolarHBondContact O-N 3.09Å; A678-L682 WeakPolarHBondContact O-CG 3.42Å; A678-L682 PolarHBondContact O-N 3.42Å; A678-I695 HydrophobicContact CB-CD1 4.24Å
679	Q	84.6	Confident	79.9	Confident	49 Å²	49	51.4 Å²	51.4	23%	0.229	28%	0.275	C	S	.	.	H	α-helix	trans	-69.5	-43.5	175.9	-70.4	-71.8	-34.2	0	0	112	A675 I676 T677 Y681 L682 K683	A675-Q679 PolarHBondContact O-N 2.85Å; I676-Q679 WeakPolarHBondContact O-CB 3.42Å; I676-Q679 PolarHBondContact O-N 2.8Å; T677-Q679 VanDerWaalsContact C-N 3.31Å; T677-Q679 PolarHBondContact O-N 2.79Å; Q679-Y681 VanDerWaalsContact C-N 3.34Å; Q679-L682 PolarHBondContact O-N 3.24Å; Q679-K683 WeakPolarHBondContact O-CG 3.34Å; Q679-K683 PolarHBondContact O-N 2.7Å
680	E	82.2	Confident	79.9	Confident	94 Å²	94	47.5 Å²	47.5	44%	0.439	26%	0.259	S	S	.	.	H	α-helix	trans	-67.4	-36.5	177.8	-168.1	61.4	-163.2	0	0	111.8	I676 T677 L682 K683 T684	I676-E680 WeakPolarHBondContact O-CB 3.34Å; I676-E680 PolarHBondContact O-N 2.8Å; T677-E680 PolarHBondContact O-N 2.85Å; E680-L682 VanDerWaalsContact C-N 3.35Å; E680-L682 PolarHBondContact O-N 3.09Å; E680-K683 PolarHBondContact O-N 3.09Å; E680-T684 HydrophobicContact CG-CG2 4.02Å; E680-T684 WeakPolarHBondContact O-CB 3.5Å; E680-T684 WeakPolarHBondContact O-CG2 3.36Å; E680-T684 PolarHBondContact O-N 2.79Å; E680-T684 PolarHBondContact O-OG1 2.96Å; E680-T684 WeakPolarHBondContact OE1-CG2 3.32Å
681	Y	83.2	Confident	80.1	Confident	38 Å²	38	50.1 Å²	50.1	15%	0.149	28%	0.276	C	S	.	.	H	α-helix	trans	-56.6	-47.9	173.9	171	-100.9	0	0	0	110.9	R620 F622 D653 T677 Q679 K683 T684 H685	R620-Y681 PolarHBondContact NH1-OH 2.94Å; F622-Y681 HydrophobicContact CE2-CE2 4.2Å; F622-Y681 AromaticContact CZ-CE2 3.87Å; F622-Y681 HydrophobicContact CZ-CE2 3.87Å; D653-Y681 HydrophobicContact CB-CE1 4.15Å; D653-Y681 VanDerWaalsContact OD2-CE1 3.26Å; D653-Y681 WeakPolarHBondContact OD2-CE1 3.39Å; D653-Y681 PolarHBondContact OD2-OH 3.32Å; T677-Y681 WeakPolarHBondContact O-CB 3.42Å; T677-Y681 PolarHBondContact O-N 2.82Å; Q679-Y681 VanDerWaalsContact C-N 3.34Å; Y681-K683 PolarHBondContact O-N 3.13Å; Y681-T684 PolarHBondContact O-N 3.4Å; Y681-H685 AromaticContact CE2-CD2 3.83Å; Y681-H685 AromaticContact CZ-CD2 3.53Å; Y681-H685 WeakPolarHBondContact O-CA 3.29Å; Y681-H685 VanDerWaalsContact O-CB 3.3Å; Y681-H685 WeakPolarHBondContact O-CB 3.41Å; Y681-H685 PolarHBondContact O-N 3.22Å; Y681-H685 PolarHBondContact OH-CD2 3.45Å
682	L	83.6	Confident	80	Confident	0 Å²	0	52 Å²	52	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-62.9	-41.8	176.8	-68.3	171.8	0	0	0	112.1	V658 A678 Q679 E680 R689 T693	V658-L682 HydrophobicContact CG2-CD2 4.12Å; A678-L682 WeakPolarHBondContact O-CG 3.42Å; A678-L682 PolarHBondContact O-N 3.42Å; Q679-L682 PolarHBondContact O-N 3.24Å; E680-L682 VanDerWaalsContact C-N 3.35Å; E680-L682 PolarHBondContact O-N 3.09Å; L682-R689 HydrophobicContact CD2-CB 4.19Å; L682-T693 HydrophobicContact CD1-CG2 4.4Å; L682-T693 HydrophobicContact CD2-CG2 4.05Å
683	K	80.6	Confident	80.1	Confident	128 Å²	128	45.8 Å²	45.8	56%	0.557	26%	0.259	S	S	*	.	H	α-helix	trans	-68.4	-37.7	179.8	-69.4	173.3	-174.4	174.7	0	113.6	Q679 E680 Y681	Q679-K683 WeakPolarHBondContact O-CG 3.34Å; Q679-K683 PolarHBondContact O-N 2.7Å; E680-K683 PolarHBondContact O-N 3.09Å; Y681-K683 PolarHBondContact O-N 3.13Å
684	T	72.2	Confident	80.4	Confident	73 Å²	73	45 Å²	45	45%	0.448	25%	0.252	S	S	.	.	H	α-helix	trans	-99	-3.3	-173.2	60.5	0	0	0	0	113.6	E680 Y681	E680-T684 HydrophobicContact CG-CG2 4.02Å; E680-T684 WeakPolarHBondContact O-CB 3.5Å; E680-T684 WeakPolarHBondContact O-CG2 3.36Å; E680-T684 PolarHBondContact O-N 2.79Å; E680-T684 PolarHBondContact O-OG1 2.96Å; E680-T684 WeakPolarHBondContact OE1-CG2 3.32Å; Y681-T684 PolarHBondContact O-N 3.4Å
685	H	72.5	Confident	80.6	Confident	9 Å²	9	46 Å²	46	4%	0.042	26%	0.258	C	S	.	.			trans	-53.7	130	-179.1	-166.2	-82.3	0	0	0	110.4	Y681 S687 G688 R689	Y681-H685 AromaticContact CE2-CD2 3.83Å; Y681-H685 AromaticContact CZ-CD2 3.53Å; Y681-H685 WeakPolarHBondContact O-CA 3.29Å; Y681-H685 VanDerWaalsContact O-CB 3.3Å; Y681-H685 WeakPolarHBondContact O-CB 3.41Å; Y681-H685 PolarHBondContact O-N 3.22Å; Y681-H685 PolarHBondContact OH-CD2 3.45Å; H685-S687 PolarHBondContact CE1-OG 3.05Å; H685-S687 VanDerWaalsContact CE1-OG 3.24Å; H685-S687 WeakPolarHBondContact ND1-CB 3.49Å; H685-S687 PolarHBondContact ND1-N 2.82Å; H685-S687 VanDerWaalsContact ND1-N 3.11Å; H685-S687 PolarHBondContact ND1-OG 3.07Å; H685-S687 PolarHBondContact O-N 2.65Å; H685-G688 PolarHBondContact O-N 3.03Å; H685-R689 HydrophobicContact CB-CB 3.97Å; H685-R689 HydrophobicContact CB-CG 3.49Å; H685-R689 VanDerWaalsContact CB-CG 3.49Å
686	P	59.2	Low	81	Confident	36 Å²	36	44.1 Å²	44.1	23%	0.234	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-32.8	-176.7	-26.7	33.4	0	0	0	113.8	G688	P686-G688 VanDerWaalsContact C-N 3.29Å; P686-G688 PolarHBondContact O-N 3.35Å
687	S	65.2	Low	81.5	Confident	9 Å²	9	40 Å²	40	6%	0.063	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	0.4	178.3	-39.1	0	0	0	0	116.3	Q344 F346 H685	Q344-S687 PolarHBondContact O-OG 3.11Å; F346-S687 WeakPolarHBondContact O-CB 3.37Å; F346-S687 PolarHBondContact O-OG 3.4Å; H685-S687 PolarHBondContact CE1-OG 3.05Å; H685-S687 VanDerWaalsContact CE1-OG 3.24Å; H685-S687 WeakPolarHBondContact ND1-CB 3.49Å; H685-S687 PolarHBondContact ND1-N 2.82Å; H685-S687 VanDerWaalsContact ND1-N 3.11Å; H685-S687 PolarHBondContact ND1-OG 3.07Å; H685-S687 PolarHBondContact O-N 2.65Å
688	G	68.2	Low	81.9	Confident	57 Å²	57	38.2 Å²	38.2	59%	0.588	21%	0.211	S	C	*	.			trans	65.8	58	-177.7	0	0	0	0	0	112.5	H685 P686	H685-G688 PolarHBondContact O-N 3.03Å; P686-G688 VanDerWaalsContact C-N 3.29Å; P686-G688 PolarHBondContact O-N 3.35Å
689	R	80.3	Confident	82.3	Confident	19 Å²	19	40.3 Å²	40.3	7%	0.072	22%	0.22	C	C	.	.			trans	-66.3	155.4	-179.1	-66.7	-75.3	-71.8	-84.4	-15.3	110.9	D653 W655 L682 H685 P691	D653-R689 IonicContact OD1-CZ 2.66Å; D653-R689 IonicContact OD1-NH1 3.81Å; D653-R689 PolarHBondContact OD1-NH1 2.79Å; D653-R689 IonicContact OD1-NH2 2.71Å; D653-R689 PolarHBondContact OD1-NH2 3.05Å; D653-R689 IonicContact OD2-CZ 3.18Å; D653-R689 IonicContact OD2-NH1 3.97Å; D653-R689 PolarHBondContact OD2-NH1 3.43Å; D653-R689 IonicContact OD2-NH2 3.28Å; D653-R689 PolarHBondContact OD2-NH2 2.82Å; W655-R689 VanDerWaalsContact C-NH2 3.29Å; W655-R689 VanDerWaalsContact CA-NH2 3.34Å; W655-R689 PolarHBondContact O-NE 2.9Å; W655-R689 PolarHBondContact O-NH2 3.2Å; L682-R689 HydrophobicContact CD2-CB 4.19Å; H685-R689 HydrophobicContact CB-CB 3.97Å; H685-R689 HydrophobicContact CB-CG 3.49Å; H685-R689 VanDerWaalsContact CB-CG 3.49Å; R689-P691 WeakPolarHBondContact O-CD 3.44Å
690	D	82	Confident	82.7	Confident	62 Å²	62	39.1 Å²	39.1	33%	0.332	21%	0.214	S	C	.	.			trans	-72.8	121.8	177.1	-166.3	-29.8	0	0	0	109.9	K483 E692 T693	K483-D690 WeakPolarHBondContact CE-OD2 3.49Å; K483-D690 IonicContact NZ-OD2 2.66Å; K483-D690 PolarHBondContact NZ-OD2 3.32Å; D690-E692 PolarHBondContact O-N 3.26Å; D690-E692 WeakPolarHBondContact OD1-CB 3.48Å; D690-E692 PolarHBondContact OD1-N 2.77Å; D690-T693 WeakPolarHBondContact O-CB 3.31Å; D690-T693 PolarHBondContact O-N 2.8Å; D690-T693 PolarHBondContact O-OG1 2.74Å; D690-T693 VanDerWaalsContact O-OG1 3.1Å
691	P	85.4	Confident	83	Confident	56 Å²	56	36.4 Å²	36.4	36%	0.364	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-22.5	176.5	-23.6	35.3	0	0	0	113.7	R689 T693	R689-P691 WeakPolarHBondContact O-CD 3.44Å; P691-T693 VanDerWaalsContact C-N 3.27Å; P691-T693 PolarHBondContact O-N 3.4Å
692	E	85.4	Confident	83.4	Confident	88 Å²	88	37.8 Å²	37.8	41%	0.411	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	12.7	177.5	-59.6	-59.5	138.7	0	0	112.5	P480 K483 D690 P694	P480-E692 HydrophobicContact CB-CB 4.01Å; P480-E692 HydrophobicContact CB-CG 4.47Å; P480-E692 WeakPolarHBondContact CB-OE2 3.39Å; P480-E692 HydrophobicContact CG-CB 4.06Å; P480-E692 WeakPolarHBondContact CG-O 3.24Å; P480-E692 WeakPolarHBondContact CG-OE2 3.32Å; K483-E692 HydrophobicContact CG-CB 4.43Å; D690-E692 PolarHBondContact O-N 3.26Å; D690-E692 WeakPolarHBondContact OD1-CB 3.48Å; D690-E692 PolarHBondContact OD1-N 2.77Å; E692-P694 WeakPolarHBondContact O-CD 3.35Å
693	T	87.9	Confident	83.8	Confident	13 Å²	13	38.8 Å²	38.8	8%	0.08	22%	0.221	C	C	.	.			trans	-54.9	127.1	170.5	-77.9	0	0	0	0	110.2	V658 L682 D690 P691 I695	V658-T693 HydrophobicContact CG2-CG2 4.21Å; L682-T693 HydrophobicContact CD1-CG2 4.4Å; L682-T693 HydrophobicContact CD2-CG2 4.05Å; D690-T693 WeakPolarHBondContact O-CB 3.31Å; D690-T693 PolarHBondContact O-N 2.8Å; D690-T693 PolarHBondContact O-OG1 2.74Å; D690-T693 VanDerWaalsContact O-OG1 3.1Å; P691-T693 VanDerWaalsContact C-N 3.27Å; P691-T693 PolarHBondContact O-N 3.4Å; T693-I695 PolarHBondContact O-N 3.01Å
694	P	88.3	Confident	84.2	Confident	9 Å²	9	32.8 Å²	32.8	6%	0.058	20%	0.195	C	C	.	.			trans	-57.8	137.1	-179	-25.9	33.6	0	0	0	113.1	R478 K483 Q657 V658 E692	R478-P694 WeakPolarHBondContact O-CB 3.28Å; K483-P694 HydrophobicContact CB-CG 3.98Å; Q657-P694 HydrophobicContact CG-CB 4.25Å; Q657-P694 HydrophobicContact CG-CG 4.48Å; V658-P694 PolarHBondContact N-O 3.14Å; E692-P694 WeakPolarHBondContact O-CD 3.35Å
695	I	90.4	Very high	84.9	Confident	21 Å²	21	29.7 Å²	29.7	11%	0.108	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	126.4	173.6	-58.2	-177.2	0	0	0	108.8	R478 V658 F660 A678 T693	R478-I695 PolarHBondContact N-O 3.26Å; R478-I695 VanDerWaalsContact N-O 3.1Å; V658-I695 CarbonylContact O-C 3.5Å; V658-I695 VanDerWaalsContact O-CA 3.31Å; V658-I695 WeakPolarHBondContact O-CA 3.47Å; F660-I695 HydrophobicContact CB-CG2 3.97Å; A678-I695 HydrophobicContact CB-CD1 4.24Å; T693-I695 PolarHBondContact O-N 3.01Å
696	I	93.7	Very high	85.7	Confident	6 Å²	6	30 Å²	30	3%	0.031	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	111	-178.3	-60	176.5	0	0	0	109.3	V475 Q476 I477 Q657 V658 F659 F660 V698	V475-I696 HydrophobicContact CG1-CG2 3.53Å; Q476-I696 CarbonylContact O-C 3.54Å; Q476-I696 WeakPolarHBondContact O-CA 3.47Å; I477-I696 HydrophobicContact CG1-CG1 4.22Å; I477-I696 HydrophobicContact CG1-CG2 4.02Å; I477-I696 HydrophobicContact CG2-CG1 4.08Å; Q657-I696 HydrophobicContact CB-CD1 4.44Å; V658-I696 PolarHBondContact O-N 3.28Å; F659-I696 CarbonylContact C-O 3.25Å; F659-I696 WeakPolarHBondContact CA-O 3.48Å; F659-I696 HydrophobicContact CD1-CB 3.64Å; F659-I696 HydrophobicContact CD1-CD1 4.06Å; F659-I696 HydrophobicContact CD1-CG1 4.4Å; F659-I696 HydrophobicContact CD1-CG2 3.66Å; F659-I696 HydrophobicContact CE1-CB 4.05Å; F659-I696 HydrophobicContact CE1-CD1 3.61Å; F659-I696 HydrophobicContact CE1-CG1 4.41Å; F659-I696 HydrophobicContact CE1-CG2 3.92Å; F659-I696 HydrophobicContact CG-CB 4.38Å; F659-I696 HydrophobicContact CZ-CD1 4.08Å; F660-I696 PolarHBondContact N-O 2.62Å; I696-V698 HydrophobicContact CG2-CG2 3.88Å; I696-V698 PolarHBondContact O-N 2.97Å
697	V	94.8	Very high	87.2	Confident	35 Å²	35	28.3 Å²	28.3	21%	0.212	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	118.8	175.6	-174.2	0	0	0	0	109.6	V475 Q476 F660 I662	V475-V697 WeakPolarHBondContact CG1-O 3.36Å; Q476-V697 HydrophobicContact CB-CB 4.14Å; Q476-V697 PolarHBondContact N-O 2.97Å; Q476-V697 VanDerWaalsContact N-O 3.09Å; Q476-V697 PolarHBondContact O-N 2.85Å; F660-V697 HydrophobicContact CB-CG2 4.41Å; F660-V697 HydrophobicContact CD1-CG1 4.39Å; F660-V697 WeakPolarHBondContact O-CA 3.5Å; I662-V697 HydrophobicContact CD1-CG1 3.66Å; I662-V697 HydrophobicContact CG1-CG1 4.36Å
698	V	94.9	Very high	88.4	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	141.1	179.1	-174	0	0	0	0	108.4	V475 F659 F660 W661 I662 I696 E703 F707	V475-V698 HydrophobicContact CG1-CG2 4.21Å; F659-V698 HydrophobicContact CB-CG2 4.46Å; F659-V698 HydrophobicContact CD1-CG2 3.76Å; F660-V698 PolarHBondContact O-N 2.92Å; W661-V698 CarbonylContact C-O 3.59Å; W661-V698 VanDerWaalsContact CA-O 3.28Å; W661-V698 WeakPolarHBondContact CA-O 3.27Å; I662-V698 PolarHBondContact N-O 3.22Å; I696-V698 HydrophobicContact CG2-CG2 3.88Å; I696-V698 PolarHBondContact O-N 2.97Å; V698-E703 HydrophobicContact CG1-CB 4.12Å; V698-E703 HydrophobicContact CG1-CG 3.78Å; V698-F707 HydrophobicContact CG2-CD2 4.39Å
699	K	93.7	Very high	89.1	Confident	45 Å²	45	26.3 Å²	26.3	20%	0.196	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	147.7	177.1	-68.2	160	-179.6	165.6	0	110.3	D467 G472 I662 G701 Y702	D467-K699 IonicContact OD1-NZ 3.14Å; D467-K699 PolarHBondContact OD1-NZ 2.8Å; D467-K699 IonicContact OD2-NZ 2.87Å; D467-K699 PolarHBondContact OD2-NZ 2.87Å; G472-K699 VanDerWaalsContact CA-NZ 3.35Å; G472-K699 WeakPolarHBondContact O-CD 3.4Å; G472-K699 PolarHBondContact O-NZ 2.85Å; I662-K699 HydrophobicContact CB-CG 4.46Å; K699-G701 PolarHBondContact O-N 2.94Å; K699-Y702 PolarHBondContact O-N 2.7Å
700	Q	92.9	Very high	89.3	Confident	24 Å²	24	27.5 Å²	27.5	11%	0.112	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.4	127.1	177.8	-176	-177.6	-26.3	0	0	112	E646 W661 I662 K664 Y702 E703 W719	E646-Q700 VanDerWaalsContact CD-NE2 3.25Å; E646-Q700 PolarHBondContact OE2-NE2 2.78Å; W661-Q700 HydrophobicContact CH2-CB 4.16Å; W661-Q700 HydrophobicContact CH2-CG 4.32Å; W661-Q700 HydrophobicContact CZ2-CB 3.62Å; W661-Q700 HydrophobicContact CZ2-CG 3.8Å; I662-Q700 PolarHBondContact O-N 2.84Å; K664-Q700 HydrophobicContact CB-CB 4.43Å; Q700-Y702 VanDerWaalsContact C-N 3.31Å; Q700-E703 VanDerWaalsContact CA-OE1 3.22Å; Q700-E703 WeakPolarHBondContact CA-OE1 3.44Å; Q700-W719 HydrophobicContact CG-CD2 3.99Å; Q700-W719 HydrophobicContact CG-CE3 4.44Å; Q700-W719 HydrophobicContact CG-CG 4.39Å; Q700-W719 HydrophobicContact CG-CH2 4.37Å; Q700-W719 HydrophobicContact CG-CZ2 3.94Å
701	G	88.3	Confident	89.4	Confident	36 Å²	36	24.8 Å²	24.8	37%	0.371	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.9	-4.5	178.5	0	0	0	0	0	115.1	K699 E703	K699-G701 PolarHBondContact O-N 2.94Å; G701-E703 VanDerWaalsContact CA-OE2 3.28Å; G701-E703 WeakPolarHBondContact CA-OE2 3.35Å; G701-E703 VanDerWaalsContact N-CD 3.33Å; G701-E703 PolarHBondContact N-OE1 3.05Å; G701-E703 PolarHBondContact N-OE2 3.43Å
702	Y	91.1	Very high	88.7	Confident	67 Å²	67	29.6 Å²	29.6	26%	0.263	16%	0.157	S	C	.	.			trans	-123.5	27.2	178.7	-60.9	-79.7	0	0	0	111.9	E473 V475 K699 Q700	E473-Y702 HydrophobicContact CB-CD1 3.83Å; E473-Y702 HydrophobicContact CB-CE1 3.68Å; E473-Y702 HydrophobicContact CB-CG 4.42Å; E473-Y702 HydrophobicContact CG-CD1 4.03Å; E473-Y702 HydrophobicContact CG-CE1 3.34Å; E473-Y702 HydrophobicContact CG-CE2 4.28Å; E473-Y702 VanDerWaalsContact CG-CZ 3.47Å; E473-Y702 WeakPolarHBondContact CG-OH 3Å; E473-Y702 WeakPolarHBondContact OE1-CE1 3.49Å; E473-Y702 PolarHBondContact OE1-OH 3.42Å; V475-Y702 WeakPolarHBondContact CG2-O 3.3Å; K699-Y702 PolarHBondContact O-N 2.7Å; Q700-Y702 VanDerWaalsContact C-N 3.31Å
703	E	92.4	Very high	88.1	Confident	22 Å²	22	29.7 Å²	29.7	10%	0.103	17%	0.173	C	C	.	.			trans	-67.3	127.4	-178.6	-61.5	78.8	-175.2	0	0	112.1	W661 V698 Q700 G701 F707 T708 W714 W719	W661-E703 PolarHBondContact NE1-OE1 3.34Å; V698-E703 HydrophobicContact CG1-CB 4.12Å; V698-E703 HydrophobicContact CG1-CG 3.78Å; Q700-E703 VanDerWaalsContact CA-OE1 3.22Å; Q700-E703 WeakPolarHBondContact CA-OE1 3.44Å; G701-E703 VanDerWaalsContact CA-OE2 3.28Å; G701-E703 WeakPolarHBondContact CA-OE2 3.35Å; G701-E703 VanDerWaalsContact N-CD 3.33Å; G701-E703 PolarHBondContact N-OE1 3.05Å; G701-E703 PolarHBondContact N-OE2 3.43Å; E703-F707 HydrophobicContact CB-CD1 3.79Å; E703-F707 HydrophobicContact CB-CE1 4.44Å; E703-F707 HydrophobicContact CG-CD1 3.67Å; E703-F707 HydrophobicContact CG-CE1 3.83Å; E703-T708 HydrophobicContact CB-CG2 3.49Å; E703-T708 VanDerWaalsContact CB-CG2 3.49Å; E703-T708 HydrophobicContact CG-CG2 4.45Å; E703-W714 HydrophobicContact CB-CH2 4.43Å; E703-W714 HydrophobicContact CB-CZ2 3.99Å; E703-W714 HydrophobicContact CG-CH2 3.79Å; E703-W714 HydrophobicContact CG-CZ2 3.66Å; E703-W719 WeakPolarHBondContact OE1-CH2 3.36Å; E703-W719 WeakPolarHBondContact OE2-CH2 3.43Å; E703-W719 WeakPolarHBondContact OE2-CZ3 3.39Å
704	P	90.1	Very high	87.9	Confident	1 Å²	1	31.2 Å²	31.2	1%	0.006	18%	0.177	C	C	.	.			trans	-74.6	158.5	176.6	31.5	-34.9	0	0	0	111.3	V393 V475 T706 F707 T708	V393-P704 HydrophobicContact CG1-CB 3.98Å; V475-P704 HydrophobicContact CG1-CG 4.33Å; V475-P704 HydrophobicContact CG2-CG 4.26Å; P704-T706 WeakPolarHBondContact CG-OG1 3.36Å; P704-T706 PolarHBondContact O-N 2.92Å; P704-F707 HydrophobicContact CG-CB 4Å; P704-F707 WeakPolarHBondContact O-CB 3.33Å; P704-F707 PolarHBondContact O-N 2.86Å; P704-T708 PolarHBondContact O-N 2.89Å; P704-T708 VanDerWaalsContact O-N 3.09Å
705	P	87.3	Confident	87.5	Confident	8 Å²	8	34 Å²	34	5%	0.052	19%	0.191	C	C	.	.	H	α-helix	trans	-54.8	-28.1	174.3	-27.5	35.4	0	0	0	114.2	P384 A387 I435 F707 T708 G709	P384-P705 HydrophobicContact CB-CB 4.46Å; A387-P705 HydrophobicContact CB-CB 3.67Å; I435-P705 HydrophobicContact CD1-CG 4.01Å; P705-F707 PolarHBondContact O-N 3.32Å; P705-T708 WeakPolarHBondContact CA-OG1 3.47Å; P705-G709 PolarHBondContact O-N 3.27Å; P705-G709 VanDerWaalsContact O-N 3.1Å
706	T	88.8	Confident	87	Confident	17 Å²	17	37.1 Å²	37.1	10%	0.104	21%	0.213	C	C	.	.	H	α-helix	trans	-68.6	-20.5	175.9	49.8	0	0	0	0	113.8	A388 V393 F659 P704 W710	A388-T706 WeakPolarHBondContact CB-O 3.49Å; V393-T706 HydrophobicContact CG1-CG2 3.66Å; F659-T706 WeakPolarHBondContact CZ-O 3.31Å; P704-T706 WeakPolarHBondContact CG-OG1 3.36Å; P704-T706 PolarHBondContact O-N 2.92Å; T706-W710 VanDerWaalsContact O-CD1 3.31Å; T706-W710 PolarHBondContact O-NE1 3.16Å
707	F	91.1	Very high	86.4	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-93.6	-53.6	173	177.4	-92.8	0	0	0	110.9	L644 L652 F659 W661 V698 E703 P704 P705 G709 W710 F711 W714	L644-F707 HydrophobicContact CD1-CE1 4.06Å; L644-F707 HydrophobicContact CD1-CZ 4.15Å; L652-F707 HydrophobicContact CB-CE2 4.15Å; L652-F707 HydrophobicContact CD2-CD2 3.81Å; L652-F707 HydrophobicContact CD2-CE2 3.68Å; L652-F707 HydrophobicContact CD2-CZ 4.45Å; F659-F707 HydrophobicContact CB-CD2 3.74Å; F659-F707 HydrophobicContact CB-CE2 3.93Å; F659-F707 HydrophobicContact CD1-CB 4.23Å; F659-F707 AromaticContact CD1-CD2 3.81Å; F659-F707 HydrophobicContact CD1-CD2 3.81Å; F659-F707 HydrophobicContact CD2-CD2 4.11Å; F659-F707 HydrophobicContact CE1-CB 4.07Å; F659-F707 HydrophobicContact CE1-CD2 4.41Å; F659-F707 AromaticContact CG-CD2 3.64Å; F659-F707 HydrophobicContact CG-CD2 3.64Å; F659-F707 HydrophobicContact CG-CE2 4.31Å; F659-F707 HydrophobicContact CZ-CB 4.46Å; W661-F707 HydrophobicContact CB-CE2 4.15Å; W661-F707 HydrophobicContact CB-CZ 4.03Å; W661-F707 AromaticContact CD1-CE1 3.78Å; W661-F707 AromaticContact CD1-CZ 3.55Å; W661-F707 HydrophobicContact CG-CE2 4.49Å; W661-F707 AromaticContact CG-CZ 3.93Å; W661-F707 HydrophobicContact CG-CZ 3.93Å; V698-F707 HydrophobicContact CG2-CD2 4.39Å; E703-F707 HydrophobicContact CB-CD1 3.79Å; E703-F707 HydrophobicContact CB-CE1 4.44Å; E703-F707 HydrophobicContact CG-CD1 3.67Å; E703-F707 HydrophobicContact CG-CE1 3.83Å; P704-F707 HydrophobicContact CG-CB 4Å; P704-F707 WeakPolarHBondContact O-CB 3.33Å; P704-F707 PolarHBondContact O-N 2.86Å; P705-F707 PolarHBondContact O-N 3.32Å; F707-G709 PolarHBondContact O-N 3.42Å; F707-G709 VanDerWaalsContact O-N 3.14Å; F707-W710 PolarHBondContact O-N 2.92Å; F707-W710 VanDerWaalsContact O-N 3.12Å; F707-F711 AromaticContact CD1-CE2 3.92Å; F707-F711 HydrophobicContact CD1-CE2 3.92Å; F707-F711 HydrophobicContact CE1-CD2 4.4Å; F707-F711 AromaticContact CE1-CE2 3.45Å; F707-F711 HydrophobicContact CE1-CE2 3.45Å; F707-F711 VanDerWaalsContact CE1-CE2 3.45Å; F707-F711 AromaticContact CE1-CZ 3.88Å; F707-F711 HydrophobicContact CE1-CZ 3.88Å; F707-F711 HydrophobicContact CE2-CE2 4.33Å; F707-F711 AromaticContact CZ-CE2 3.7Å; F707-F711 HydrophobicContact CZ-CE2 3.7Å; F707-F711 AromaticContact CZ-CZ 3.81Å; F707-F711 HydrophobicContact CZ-CZ 3.81Å; F707-W714 HydrophobicContact CD1-CH2 4.24Å; F707-W714 HydrophobicContact CD1-CZ3 4.42Å; F707-W714 AromaticContact CE1-CH2 3.78Å; F707-W714 HydrophobicContact CE1-CH2 3.78Å; F707-W714 AromaticContact CE1-CZ3 3.93Å; F707-W714 HydrophobicContact CE1-CZ3 3.93Å
708	T	89.1	Confident	85.7	Confident	15 Å²	15	43.4 Å²	43.4	9%	0.092	24%	0.238	C	C	.	.	H	α-helix	trans	-63.5	-25.6	-174.2	62	0	0	0	0	112.7	E703 P704 P705 W710 F711 W714	E703-T708 HydrophobicContact CB-CG2 3.49Å; E703-T708 VanDerWaalsContact CB-CG2 3.49Å; E703-T708 HydrophobicContact CG-CG2 4.45Å; P704-T708 PolarHBondContact O-N 2.89Å; P704-T708 VanDerWaalsContact O-N 3.09Å; P705-T708 WeakPolarHBondContact CA-OG1 3.47Å; T708-W710 PolarHBondContact O-N 3.5Å; T708-W710 VanDerWaalsContact O-N 3.17Å; T708-F711 PolarHBondContact O-N 3.05Å; T708-W714 HydrophobicContact CG2-CD2 3.67Å; T708-W714 HydrophobicContact CG2-CE3 4.24Å; T708-W714 HydrophobicContact CG2-CG 4Å; T708-W714 HydrophobicContact CG2-CH2 4.28Å; T708-W714 HydrophobicContact CG2-CZ2 3.69Å
709	G	83.6	Confident	85	Confident	8 Å²	8	45.8 Å²	45.8	8%	0.082	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-16.2	175.8	0	0	0	0	0	116.1	P384 Q385 P705 F707 F711	P384-G709 VanDerWaalsContact O-CA 3.25Å; P384-G709 WeakPolarHBondContact O-CA 3.41Å; Q385-G709 WeakPolarHBondContact CG-O 3.31Å; P705-G709 PolarHBondContact O-N 3.27Å; P705-G709 VanDerWaalsContact O-N 3.1Å; F707-G709 PolarHBondContact O-N 3.42Å; F707-G709 VanDerWaalsContact O-N 3.14Å; G709-F711 VanDerWaalsContact C-N 3.28Å
710	W	84.1	Confident	83.9	Confident	44 Å²	44	48.2 Å²	48.2	17%	0.167	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-9.1	174.2	-65.2	109.7	0	0	0	113.3	A388 I617 P619 F639 L652 V654 T706 F707 T708	A388-W710 HydrophobicContact CB-CD2 4.07Å; A388-W710 HydrophobicContact CB-CG 4.18Å; A388-W710 HydrophobicContact CB-CZ2 4.22Å; I617-W710 HydrophobicContact CG2-CH2 4.26Å; P619-W710 HydrophobicContact CB-CD2 4.27Å; P619-W710 HydrophobicContact CB-CE3 3.94Å; P619-W710 HydrophobicContact CB-CZ3 4.42Å; P619-W710 HydrophobicContact CG-CD2 4.47Å; P619-W710 HydrophobicContact CG-CE3 3.73Å; P619-W710 HydrophobicContact CG-CZ3 4.18Å; F639-W710 HydrophobicContact CE2-CB 4.43Å; F639-W710 HydrophobicContact CZ-CB 4.43Å; L652-W710 HydrophobicContact CD2-CB 4.11Å; L652-W710 HydrophobicContact CD2-CG 4.23Å; V654-W710 HydrophobicContact CB-CZ2 3.99Å; V654-W710 HydrophobicContact CG1-CD2 4.05Å; V654-W710 HydrophobicContact CG1-CG 4.26Å; V654-W710 HydrophobicContact CG1-CZ2 4.01Å; T706-W710 VanDerWaalsContact O-CD1 3.31Å; T706-W710 PolarHBondContact O-NE1 3.16Å; F707-W710 PolarHBondContact O-N 2.92Å; F707-W710 VanDerWaalsContact O-N 3.12Å; T708-W710 PolarHBondContact O-N 3.5Å; T708-W710 VanDerWaalsContact O-N 3.17Å
711	F	84.7	Confident	82.4	Confident	6 Å²	6	52.7 Å²	52.7	3%	0.026	29%	0.294	C	S	.	.	S	Bend	trans	-103.8	128.8	180	-60.2	-99.5	0	0	0	110.1	F639 N640 L644 L652 F707 T708 G709 A713 W714	F639-F711 AromaticContact CD2-CD1 3.71Å; F639-F711 HydrophobicContact CD2-CD1 3.71Å; F639-F711 AromaticContact CD2-CE1 3.45Å; F639-F711 HydrophobicContact CD2-CE1 3.45Å; F639-F711 VanDerWaalsContact CD2-CE1 3.45Å; F639-F711 HydrophobicContact CD2-CG 4.49Å; F639-F711 HydrophobicContact CD2-CZ 4.01Å; F639-F711 AromaticContact CE2-CD1 3.95Å; F639-F711 HydrophobicContact CE2-CD1 3.95Å; F639-F711 HydrophobicContact CE2-CD2 4.48Å; F639-F711 AromaticContact CE2-CE1 3.8Å; F639-F711 HydrophobicContact CE2-CE1 3.8Å; F639-F711 HydrophobicContact CE2-CE2 4.32Å; F639-F711 HydrophobicContact CE2-CG 4.3Å; F639-F711 AromaticContact CE2-CZ 3.99Å; F639-F711 HydrophobicContact CE2-CZ 3.99Å; N640-F711 VanDerWaalsContact C-CD1 3.43Å; N640-F711 WeakPolarHBondContact O-CE1 3.4Å; L644-F711 HydrophobicContact CD1-CE1 4.1Å; L644-F711 HydrophobicContact CD1-CZ 3.91Å; L644-F711 HydrophobicContact CG-CE1 4.31Å; L644-F711 HydrophobicContact CG-CZ 4.38Å; L652-F711 HydrophobicContact CD2-CE2 4.26Å; F707-F711 AromaticContact CD1-CE2 3.92Å; F707-F711 HydrophobicContact CD1-CE2 3.92Å; F707-F711 HydrophobicContact CE1-CD2 4.4Å; F707-F711 AromaticContact CE1-CE2 3.45Å; F707-F711 HydrophobicContact CE1-CE2 3.45Å; F707-F711 VanDerWaalsContact CE1-CE2 3.45Å; F707-F711 AromaticContact CE1-CZ 3.88Å; F707-F711 HydrophobicContact CE1-CZ 3.88Å; F707-F711 HydrophobicContact CE2-CE2 4.33Å; F707-F711 AromaticContact CZ-CE2 3.7Å; F707-F711 HydrophobicContact CZ-CE2 3.7Å; F707-F711 AromaticContact CZ-CZ 3.81Å; F707-F711 HydrophobicContact CZ-CZ 3.81Å; T708-F711 PolarHBondContact O-N 3.05Å; G709-F711 VanDerWaalsContact C-N 3.28Å; F711-A713 PolarHBondContact O-N 3.38Å; F711-A713 VanDerWaalsContact O-N 3.14Å; F711-W714 HydrophobicContact CB-CE3 3.82Å; F711-W714 HydrophobicContact CD1-CE3 4.17Å; F711-W714 HydrophobicContact CD1-CZ3 4.12Å; F711-W714 AromaticContact CD2-CE3 3.7Å; F711-W714 HydrophobicContact CD2-CE3 3.7Å; F711-W714 AromaticContact CD2-CZ3 3.72Å; F711-W714 HydrophobicContact CD2-CZ3 3.72Å; F711-W714 HydrophobicContact CE1-CZ3 4.21Å; F711-W714 HydrophobicContact CE2-CE3 4.31Å; F711-W714 AromaticContact CE2-CZ3 3.85Å; F711-W714 HydrophobicContact CE2-CZ3 3.85Å; F711-W714 AromaticContact CG-CE3 3.63Å; F711-W714 HydrophobicContact CG-CE3 3.63Å; F711-W714 AromaticContact CG-CZ3 3.88Å; F711-W714 HydrophobicContact CG-CZ3 3.88Å; F711-W714 HydrophobicContact CZ-CZ3 4.1Å
712	L	70.3	Confident	81.1	Confident	157 Å²	157	54.2 Å²	54.2	82%	0.822	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-14.3	-169.9	-82.8	161.4	0	0	0	115.3
713	A	73.1	Confident	79.8	Confident	90 Å²	90	57 Å²	57	74%	0.744	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-160.1	65.4	179.4	0	0	0	0	0	111.3	F711 D715	F711-A713 PolarHBondContact O-N 3.38Å; F711-A713 VanDerWaalsContact O-N 3.14Å; A713-D715 PolarHBondContact O-N 3.45Å
714	W	82.6	Confident	78.5	Confident	44 Å²	44	57.8 Å²	57.8	17%	0.167	33%	0.325	C	S	.	.			trans	-67.6	126.2	179.2	-171.3	-87.1	0	0	0	112.1	Q641 L644 E703 F707 T708 F711 W719	Q641-W714 HydrophobicContact CB-CE3 3.94Å; Q641-W714 HydrophobicContact CB-CZ3 4.15Å; Q641-W714 HydrophobicContact CG-CD2 4.09Å; Q641-W714 HydrophobicContact CG-CE3 3.67Å; Q641-W714 HydrophobicContact CG-CH2 4.01Å; Q641-W714 HydrophobicContact CG-CZ2 4.41Å; Q641-W714 HydrophobicContact CG-CZ3 3.63Å; L644-W714 HydrophobicContact CD1-CH2 3.72Å; L644-W714 HydrophobicContact CD1-CZ3 3.72Å; E703-W714 HydrophobicContact CB-CH2 4.43Å; E703-W714 HydrophobicContact CB-CZ2 3.99Å; E703-W714 HydrophobicContact CG-CH2 3.79Å; E703-W714 HydrophobicContact CG-CZ2 3.66Å; F707-W714 HydrophobicContact CD1-CH2 4.24Å; F707-W714 HydrophobicContact CD1-CZ3 4.42Å; F707-W714 AromaticContact CE1-CH2 3.78Å; F707-W714 HydrophobicContact CE1-CH2 3.78Å; F707-W714 AromaticContact CE1-CZ3 3.93Å; F707-W714 HydrophobicContact CE1-CZ3 3.93Å; T708-W714 HydrophobicContact CG2-CD2 3.67Å; T708-W714 HydrophobicContact CG2-CE3 4.24Å; T708-W714 HydrophobicContact CG2-CG 4Å; T708-W714 HydrophobicContact CG2-CH2 4.28Å; T708-W714 HydrophobicContact CG2-CZ2 3.69Å; F711-W714 HydrophobicContact CB-CE3 3.82Å; F711-W714 HydrophobicContact CD1-CE3 4.17Å; F711-W714 HydrophobicContact CD1-CZ3 4.12Å; F711-W714 AromaticContact CD2-CE3 3.7Å; F711-W714 HydrophobicContact CD2-CE3 3.7Å; F711-W714 AromaticContact CD2-CZ3 3.72Å; F711-W714 HydrophobicContact CD2-CZ3 3.72Å; F711-W714 HydrophobicContact CE1-CZ3 4.21Å; F711-W714 HydrophobicContact CE2-CE3 4.31Å; F711-W714 AromaticContact CE2-CZ3 3.85Å; F711-W714 HydrophobicContact CE2-CZ3 3.85Å; F711-W714 AromaticContact CG-CE3 3.63Å; F711-W714 HydrophobicContact CG-CE3 3.63Å; F711-W714 AromaticContact CG-CZ3 3.88Å; F711-W714 HydrophobicContact CG-CZ3 3.88Å; F711-W714 HydrophobicContact CZ-CZ3 4.1Å; W714-W719 AromaticContact CH2-CH2 3.74Å; W714-W719 HydrophobicContact CH2-CH2 3.74Å; W714-W719 HydrophobicContact CH2-CZ2 4.31Å; W714-W719 AromaticContact CZ2-CH2 3.38Å; W714-W719 HydrophobicContact CZ2-CH2 3.38Å; W714-W719 HydrophobicContact CZ2-CZ2 4.31Å; W714-W719 AromaticContact CZ2-CZ3 3.98Å; W714-W719 HydrophobicContact CZ2-CZ3 3.98Å
715	D	81.1	Confident	77.4	Confident	67 Å²	67	58.4 Å²	58.4	36%	0.358	33%	0.327	S	S	.	.			trans	-101.9	109.7	171.5	179.1	10	0	0	0	110.6	Q641 A713 F717 K718	Q641-D715 PolarHBondContact NE2-O 2.83Å; Q641-D715 PolarHBondContact OE1-O 2.78Å; A713-D715 PolarHBondContact O-N 3.45Å; D715-F717 PolarHBondContact O-N 3.01Å; D715-F717 VanDerWaalsContact O-N 3.15Å; D715-F717 PolarHBondContact OD1-N 3.5Å; D715-K718 HydrophobicContact CB-CB 4.27Å; D715-K718 WeakPolarHBondContact O-CB 3.27Å; D715-K718 PolarHBondContact O-N 2.94Å; D715-K718 PolarHBondContact OD2-N 3.3Å
716	P	80.3	Confident	76.7	Confident	88 Å²	88	62.9 Å²	62.9	57%	0.571	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-20.6	176.4	-22.3	33.9	0	0	0	114.5
717	F	79.6	Confident	75.9	Confident	134 Å²	134	66.1 Å²	66.1	59%	0.588	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	2.4	-175.6	-58.4	-75.7	0	0	0	113.7	D715 W719 S720 N721	D715-F717 PolarHBondContact O-N 3.01Å; D715-F717 VanDerWaalsContact O-N 3.15Å; D715-F717 PolarHBondContact OD1-N 3.5Å; F717-W719 VanDerWaalsContact C-N 3.35Å; F717-W719 PolarHBondContact O-N 3.26Å; F717-S720 WeakPolarHBondContact O-CA 3.47Å; F717-S720 WeakPolarHBondContact O-CB 3.47Å; F717-S720 PolarHBondContact O-N 3.43Å; F717-N721 PolarHBondContact O-N 3.17Å; F717-N721 VanDerWaalsContact O-N 3.12Å
718	K	81	Confident	75	Confident	38 Å²	38	67.3 Å²	67.3	17%	0.165	37%	0.37	C	S	.	.	H	α-helix	trans	-49	-53.8	-177.6	177.6	-176.5	164.6	173.3	0	112.7	Q641 D642 D715 S720 N721 A722	Q641-K718 HydrophobicContact CB-CD 4.46Å; Q641-K718 HydrophobicContact CG-CD 3.75Å; Q641-K718 PolarHBondContact O-NZ 2.89Å; D642-K718 VanDerWaalsContact OD1-CE 3.25Å; D642-K718 WeakPolarHBondContact OD1-CE 3.47Å; D642-K718 IonicContact OD1-NZ 2.86Å; D642-K718 PolarHBondContact OD1-NZ 3.13Å; D715-K718 HydrophobicContact CB-CB 4.27Å; D715-K718 WeakPolarHBondContact O-CB 3.27Å; D715-K718 PolarHBondContact O-N 2.94Å; D715-K718 PolarHBondContact OD2-N 3.3Å; K718-S720 PolarHBondContact O-N 3.19Å; K718-N721 PolarHBondContact O-N 3Å; K718-N721 VanDerWaalsContact O-N 3.16Å; K718-A722 PolarHBondContact O-N 3.45Å; K718-A722 VanDerWaalsContact O-N 3.11Å
719	W	79.8	Confident	74.2	Confident	50 Å²	50	69.5 Å²	69.5	19%	0.189	38%	0.378	C	S	.	.	H	α-helix	trans	-69.9	-13.4	-177.9	-57.9	-67.1	0	0	0	113.9	W661 Q700 E703 W714 F717	W661-W719 HydrophobicContact CZ2-CZ2 4.09Å; Q700-W719 HydrophobicContact CG-CD2 3.99Å; Q700-W719 HydrophobicContact CG-CE3 4.44Å; Q700-W719 HydrophobicContact CG-CG 4.39Å; Q700-W719 HydrophobicContact CG-CH2 4.37Å; Q700-W719 HydrophobicContact CG-CZ2 3.94Å; E703-W719 WeakPolarHBondContact OE1-CH2 3.36Å; E703-W719 WeakPolarHBondContact OE2-CH2 3.43Å; E703-W719 WeakPolarHBondContact OE2-CZ3 3.39Å; W714-W719 AromaticContact CH2-CH2 3.74Å; W714-W719 HydrophobicContact CH2-CH2 3.74Å; W714-W719 HydrophobicContact CH2-CZ2 4.31Å; W714-W719 AromaticContact CZ2-CH2 3.38Å; W714-W719 HydrophobicContact CZ2-CH2 3.38Å; W714-W719 HydrophobicContact CZ2-CZ2 4.31Å; W714-W719 AromaticContact CZ2-CZ3 3.98Å; W714-W719 HydrophobicContact CZ2-CZ3 3.98Å; F717-W719 VanDerWaalsContact C-N 3.35Å; F717-W719 PolarHBondContact O-N 3.26Å
720	S	71.3	Confident	73.9	Confident	97 Å²	97	74.5 Å²	74.5	68%	0.678	41%	0.407	S	S	*	.	H	α-helix	trans	-89.9	-21.7	174.9	-56.8	0	0	0	0	112.8	F717 K718	F717-S720 WeakPolarHBondContact O-CA 3.47Å; F717-S720 WeakPolarHBondContact O-CB 3.47Å; F717-S720 PolarHBondContact O-N 3.43Å; K718-S720 PolarHBondContact O-N 3.19Å
721	N	61.6	Low	73.4	Confident	118 Å²	118	76.1 Å²	76.1	63%	0.631	42%	0.416	S	S	*	.	H	α-helix	trans	-114.4	-5.7	-170.7	-68.4	-22.7	0	0	0	114.4	F717 K718 K723	F717-N721 PolarHBondContact O-N 3.17Å; F717-N721 VanDerWaalsContact O-N 3.12Å; K718-N721 PolarHBondContact O-N 3Å; K718-N721 VanDerWaalsContact O-N 3.16Å; N721-K723 PolarHBondContact O-N 3.42Å
722	A	61.3	Low	72.6	Confident	67 Å²	67	76 Å²	76	55%	0.554	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-69	123.7	-177.8	0	0	0	0	0	111.8	K718	K718-A722 PolarHBondContact O-N 3.45Å; K718-A722 VanDerWaalsContact O-N 3.11Å
723	K	62.1	Low	72.3	Confident	127 Å²	127	70.2 Å²	70.2	55%	0.552	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-69.9	132.4	171.9	-72.2	-177.6	174.2	-177.7	0	109.8	N721 D727 E731	N721-K723 PolarHBondContact O-N 3.42Å; K723-D727 HydrophobicContact CB-CB 4.08Å; K723-D727 HydrophobicContact CG-CB 4.46Å; K723-E731 IonicContact NZ-OE2 3.14Å; K723-E731 PolarHBondContact NZ-OE2 2.67Å
724	S	65.1	Low	71.6	Confident	38 Å²	38	69.4 Å²	69.4	27%	0.266	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-71.7	164	175.6	69.7	0	0	0	0	111.8	E726 D727 L728	S724-E726 PolarHBondContact O-N 3.15Å; S724-E726 PolarHBondContact OG-N 2.71Å; S724-D727 WeakPolarHBondContact CB-OD2 3.41Å; S724-D727 PolarHBondContact N-OD2 3.25Å; S724-D727 WeakPolarHBondContact O-CB 3.38Å; S724-D727 PolarHBondContact O-N 3.37Å; S724-D727 VanDerWaalsContact O-N 3.13Å; S724-D727 PolarHBondContact OG-N 3.29Å; S724-D727 VanDerWaalsContact OG-N 3.09Å; S724-D727 PolarHBondContact OG-OD2 3.42Å; S724-L728 PolarHBondContact O-N 3.42Å; S724-L728 VanDerWaalsContact O-N 3.09Å
725	Y	68.1	Low	70	Confident	14 Å²	14	73.4 Å²	73.4	6%	0.055	41%	0.412	C	S	.	.	H	α-helix	trans	-53.8	-36.1	169.6	168.5	-105.1	0	0	0	111.1	N178 R187 M191 V210 L728 K729	N178-Y725 PolarHBondContact ND2-OH 3.23Å; R187-Y725 HydrophobicContact CB-CD2 4.16Å; R187-Y725 HydrophobicContact CB-CE2 3.88Å; M191-Y725 HydrophobicContact CB-CE2 4.43Å; M191-Y725 HydrophobicContact CE-CE2 3.86Å; V210-Y725 WeakPolarHBondContact CG1-OH 3.41Å; Y725-L728 PolarHBondContact O-N 3.49Å; Y725-K729 HydrophobicContact CE1-CD 4.17Å; Y725-K729 WeakPolarHBondContact O-CB 3.38Å; Y725-K729 PolarHBondContact O-N 2.81Å
726	E	71.8	Confident	68.9	Low	102 Å²	102	79.4 Å²	79.4	48%	0.477	43%	0.43	S	S	.	.	H	α-helix	trans	-72.1	-36.1	178.8	-46.8	-47.6	176	0	0	112.9	S724 L728 K729 V730	S724-E726 PolarHBondContact O-N 3.15Å; S724-E726 PolarHBondContact OG-N 2.71Å; E726-L728 VanDerWaalsContact C-N 3.28Å; E726-L728 PolarHBondContact O-N 3.22Å; E726-K729 PolarHBondContact O-N 3.01Å; E726-V730 WeakPolarHBondContact O-CB 3.5Å; E726-V730 VanDerWaalsContact O-CG2 3.27Å; E726-V730 WeakPolarHBondContact O-CG2 3.38Å; E726-V730 PolarHBondContact O-N 3.48Å
727	D	73.5	Confident	68.1	Low	85 Å²	85	80.5 Å²	80.5	46%	0.455	43%	0.431	S	S	.	.	H	α-helix	trans	-61.9	-40	172.9	-60.4	-45.2	0	0	0	110.9	K723 S724 E731	K723-D727 HydrophobicContact CB-CB 4.08Å; K723-D727 HydrophobicContact CG-CB 4.46Å; S724-D727 WeakPolarHBondContact CB-OD2 3.41Å; S724-D727 PolarHBondContact N-OD2 3.25Å; S724-D727 WeakPolarHBondContact O-CB 3.38Å; S724-D727 PolarHBondContact O-N 3.37Å; S724-D727 VanDerWaalsContact O-N 3.13Å; S724-D727 PolarHBondContact OG-N 3.29Å; S724-D727 VanDerWaalsContact OG-N 3.09Å; S724-D727 PolarHBondContact OG-OD2 3.42Å; D727-E731 WeakPolarHBondContact O-CB 3.33Å; D727-E731 PolarHBondContact O-N 2.92Å
728	L	70.6	Confident	67.7	Low	24 Å²	24	77 Å²	77	13%	0.126	41%	0.413	C	S	.	.	H	α-helix	trans	-71.6	-39.5	176.1	-73.3	168.8	0	0	0	112.7	L188 M191 S724 Y725 E726 V730 E731 L732	L188-L728 HydrophobicContact CD1-CD1 3.32Å; M191-L728 HydrophobicContact CG-CB 4.21Å; S724-L728 PolarHBondContact O-N 3.42Å; S724-L728 VanDerWaalsContact O-N 3.09Å; Y725-L728 PolarHBondContact O-N 3.49Å; E726-L728 VanDerWaalsContact C-N 3.28Å; E726-L728 PolarHBondContact O-N 3.22Å; L728-V730 VanDerWaalsContact C-N 3.27Å; L728-V730 PolarHBondContact O-N 3.26Å; L728-E731 PolarHBondContact O-N 3.43Å; L728-L732 WeakPolarHBondContact O-CB 3.38Å; L728-L732 WeakPolarHBondContact O-CG 3.43Å; L728-L732 PolarHBondContact O-N 2.97Å
729	K	73.7	Confident	67.1	Low	61 Å²	61	77.4 Å²	77.4	27%	0.265	42%	0.421	S	S	.	.	H	α-helix	trans	-60.2	-39.1	174.5	-177.2	175.5	179.3	176.3	0	111.1	M191 V210 D212 Y725 E726 G733	M191-K729 HydrophobicContact CE-CB 4.22Å; V210-K729 HydrophobicContact CG2-CG 4.35Å; D212-K729 IonicContact OD2-NZ 2.68Å; D212-K729 PolarHBondContact OD2-NZ 2.97Å; Y725-K729 HydrophobicContact CE1-CD 4.17Å; Y725-K729 WeakPolarHBondContact O-CB 3.38Å; Y725-K729 PolarHBondContact O-N 2.81Å; E726-K729 PolarHBondContact O-N 3.01Å; K729-G733 VanDerWaalsContact O-CA 3.31Å; K729-G733 WeakPolarHBondContact O-CA 3.33Å; K729-G733 PolarHBondContact O-N 2.88Å
730	V	76	Confident	66.5	Low	114 Å²	114	82 Å²	82	69%	0.691	45%	0.445	S	S	*	.	H	α-helix	trans	-72.9	-41.3	174.8	173.3	0	0	0	0	111.7	E726 L728 L732	E726-V730 WeakPolarHBondContact O-CB 3.5Å; E726-V730 VanDerWaalsContact O-CG2 3.27Å; E726-V730 WeakPolarHBondContact O-CG2 3.38Å; E726-V730 PolarHBondContact O-N 3.48Å; L728-V730 VanDerWaalsContact C-N 3.27Å; L728-V730 PolarHBondContact O-N 3.26Å; V730-L732 VanDerWaalsContact C-N 3.35Å; V730-L732 PolarHBondContact O-N 3.28Å
731	E	74	Confident	66.6	Low	77 Å²	77	78.5 Å²	78.5	36%	0.36	42%	0.418	S	S	.	.	H	α-helix	trans	-62.9	-39.8	178	-176.4	-176.3	137.3	0	0	112.3	K195 K723 D727 L728	K195-E731 IonicContact NZ-OE1 3.94Å; K195-E731 PolarHBondContact NZ-OE1 3.47Å; K723-E731 IonicContact NZ-OE2 3.14Å; K723-E731 PolarHBondContact NZ-OE2 2.67Å; D727-E731 WeakPolarHBondContact O-CB 3.33Å; D727-E731 PolarHBondContact O-N 2.92Å; L728-E731 PolarHBondContact O-N 3.43Å
732	L	68.6	Low	67	Low	3 Å²	3	73 Å²	73	2%	0.016	39%	0.389	C	S	.	.	H	α-helix	trans	-93	-24.7	-175.9	-64	170.3	0	0	0	112.8	M191 K195 L728 V730 N734	M191-L732 HydrophobicContact CG-CD1 3.48Å; M191-L732 VanDerWaalsContact CG-CD1 3.48Å; M191-L732 HydrophobicContact SD-CB 4.21Å; M191-L732 HydrophobicContact SD-CD1 3.31Å; M191-L732 WeakPolarHBondContact SD-CD1 3.48Å; M191-L732 HydrophobicContact SD-CG 4.37Å; K195-L732 HydrophobicContact CB-CD1 4.1Å; K195-L732 HydrophobicContact CB-CD2 4.27Å; K195-L732 HydrophobicContact CD-CD1 4.38Å; K195-L732 HydrophobicContact CD-CD2 4.08Å; K195-L732 HydrophobicContact CG-CD2 3.96Å; L728-L732 WeakPolarHBondContact O-CB 3.38Å; L728-L732 WeakPolarHBondContact O-CG 3.43Å; L728-L732 PolarHBondContact O-N 2.97Å; V730-L732 VanDerWaalsContact C-N 3.35Å; V730-L732 PolarHBondContact O-N 3.28Å; L732-N734 VanDerWaalsContact C-N 3.28Å; L732-N734 PolarHBondContact O-N 3.1Å
733	G	63.9	Low	67.4	Low	36 Å²	36	72.4 Å²	72.4	37%	0.371	38%	0.384	S	S	.	.	S	Bend	trans	-67.7	83.9	170.9	0	0	0	0	0	110.6	K729 S735	K729-G733 VanDerWaalsContact O-CA 3.31Å; K729-G733 WeakPolarHBondContact O-CA 3.33Å; K729-G733 PolarHBondContact O-N 2.88Å; G733-S735 PolarHBondContact O-N 2.8Å
734	N	57.6	Low	67.9	Low	74 Å²	74	71.9 Å²	71.9	40%	0.396	38%	0.384	S	S	.	.			trans	-57.6	110.6	170.2	-81.8	-31.8	0	0	0	108.8	Y207 L732 R736	Y207-N734 HydrophobicContact CD1-CB 4.45Å; L732-N734 VanDerWaalsContact C-N 3.28Å; L732-N734 PolarHBondContact O-N 3.1Å; N734-R736 PolarHBondContact O-N 3.09Å
735	S	49.6	Very low	68.2	Low	127 Å²	127	72.1 Å²	72.1	89%	0.888	38%	0.383	S	S	*	.			trans	-65.4	80.6	172.7	-177.7	0	0	0	0	110.2	G733	G733-S735 PolarHBondContact O-N 2.8Å
736	R	56.8	Low	68.2	Low	194 Å²	194	73 Å²	73	73%	0.732	39%	0.39	S	S	*	.	S	Bend	trans	-145.2	152.1	169	-72.7	-164.9	179	-173.5	0.3	110.5	N734 W738	N734-R736 PolarHBondContact O-N 3.09Å; R736-W738 PolarHBondContact O-N 3.09Å
737	D	63.8	Low	67.8	Low	110 Å²	110	71.8 Å²	71.8	59%	0.588	39%	0.393	S	S	*	.			trans	-59.7	106.3	-177	-168.8	-0.4	0	0	0	111.2	S739 Q740	D737-S739 PolarHBondContact O-N 2.95Å; D737-S739 WeakPolarHBondContact OD1-CB 3.36Å; D737-S739 PolarHBondContact OD1-N 3.13Å; D737-S739 PolarHBondContact OD1-OG 3.49Å; D737-Q740 PolarHBondContact O-N 2.9Å
738	W	71.5	Confident	66.4	Low	60 Å²	60	72.5 Å²	72.5	23%	0.227	41%	0.405	C	S	.	.	H	α-helix	trans	-55.3	-15.1	177.1	-67.1	113.9	0	0	0	112.9	L173 K221 L222 R736 Q740 I741 T742	L173-W738 HydrophobicContact CD1-CE3 4.42Å; L173-W738 HydrophobicContact CD1-CH2 4.42Å; L173-W738 HydrophobicContact CD1-CZ3 3.68Å; K221-W738 HydrophobicContact CB-CB 3.83Å; K221-W738 HydrophobicContact CG-CB 4.43Å; L222-W738 HydrophobicContact CD2-CD2 4Å; L222-W738 HydrophobicContact CD2-CE3 3.86Å; L222-W738 HydrophobicContact CD2-CZ3 4.18Å; L222-W738 HydrophobicContact CG-CD2 4.44Å; R736-W738 PolarHBondContact O-N 3.09Å; W738-Q740 PolarHBondContact O-N 3.14Å; W738-I741 HydrophobicContact CE3-CD1 4.02Å; W738-I741 HydrophobicContact CZ3-CD1 4.06Å; W738-I741 PolarHBondContact O-N 2.93Å; W738-T742 VanDerWaalsContact O-CB 3.23Å; W738-T742 WeakPolarHBondContact O-CB 3.5Å; W738-T742 PolarHBondContact O-N 2.99Å; W738-T742 PolarHBondContact O-OG1 3.04Å
739	S	67.8	Low	64.9	Low	47 Å²	47	79.9 Å²	79.9	33%	0.329	44%	0.436	S	S	.	.	H	α-helix	trans	-57.3	-40	179.5	-56.6	0	0	0	0	113.9	D737 A743	D737-S739 PolarHBondContact O-N 2.95Å; D737-S739 WeakPolarHBondContact OD1-CB 3.36Å; D737-S739 PolarHBondContact OD1-N 3.13Å; D737-S739 PolarHBondContact OD1-OG 3.49Å; S739-A743 WeakPolarHBondContact O-CB 3.49Å; S739-A743 PolarHBondContact O-N 3.27Å
740	Q	68.8	Low	63.1	Low	148 Å²	148	82.7 Å²	82.7	69%	0.692	46%	0.458	S	S	*	.	H	α-helix	trans	-70.3	-45.9	-179.9	-71.7	-179.2	-11.9	0	0	112	D737 W738 A743 E744	D737-Q740 PolarHBondContact O-N 2.9Å; W738-Q740 PolarHBondContact O-N 3.14Å; Q740-A743 PolarHBondContact O-N 3.04Å; Q740-E744 PolarHBondContact O-N 2.88Å
741	I	72.1	Confident	60.9	Low	23 Å²	23	83.6 Å²	83.6	12%	0.118	46%	0.459	C	S	.	.	H	α-helix	trans	-66.8	-41.2	178.9	-61	164.1	0	0	0	110.3	L173 Y207 W738 A743 E744 V745	L173-I741 HydrophobicContact CB-CG2 4.25Å; L173-I741 HydrophobicContact CD1-CG2 4.46Å; L173-I741 HydrophobicContact CD2-CG2 4.07Å; Y207-I741 HydrophobicContact CD1-CD1 3.85Å; Y207-I741 HydrophobicContact CD2-CD1 3.44Å; Y207-I741 VanDerWaalsContact CD2-CD1 3.44Å; Y207-I741 HydrophobicContact CD2-CG1 4.11Å; Y207-I741 HydrophobicContact CE1-CD1 4.12Å; Y207-I741 HydrophobicContact CE2-CD1 3.72Å; Y207-I741 HydrophobicContact CE2-CG1 4.13Å; Y207-I741 HydrophobicContact CG-CD1 3.52Å; W738-I741 HydrophobicContact CE3-CD1 4.02Å; W738-I741 HydrophobicContact CZ3-CD1 4.06Å; W738-I741 PolarHBondContact O-N 2.93Å; I741-A743 VanDerWaalsContact C-N 3.32Å; I741-A743 PolarHBondContact O-N 3.35Å; I741-E744 PolarHBondContact O-N 3.45Å; I741-V745 HydrophobicContact CG2-CG2 4.37Å; I741-V745 WeakPolarHBondContact O-CG2 3.21Å; I741-V745 PolarHBondContact O-N 3.44Å
742	T	70.4	Confident	58.9	Low	3 Å²	3	84.3 Å²	84.3	2%	0.018	47%	0.468	C	S	.	.	H	α-helix	trans	-60.3	-43.9	176.3	-57.6	0	0	0	0	110.5	K221 E224 V225 W738 V745 T746	K221-T742 HydrophobicContact CD-CG2 4.21Å; E224-T742 HydrophobicContact CB-CG2 4.44Å; E224-T742 HydrophobicContact CG-CG2 4.4Å; V225-T742 HydrophobicContact CG2-CG2 3.75Å; W738-T742 VanDerWaalsContact O-CB 3.23Å; W738-T742 WeakPolarHBondContact O-CB 3.5Å; W738-T742 PolarHBondContact O-N 2.99Å; W738-T742 PolarHBondContact O-OG1 3.04Å; T742-V745 PolarHBondContact O-N 2.79Å; T742-T746 HydrophobicContact CG2-CG2 4.26Å; T742-T746 WeakPolarHBondContact O-CB 3.23Å; T742-T746 WeakPolarHBondContact O-CG2 3.35Å; T742-T746 PolarHBondContact O-N 2.64Å; T742-T746 PolarHBondContact O-OG1 3.04Å
743	A	69.9	Low	57	Low	54 Å²	54	93.2 Å²	93.2	45%	0.446	51%	0.507	S	S	.	.	H	α-helix	trans	-64.3	-40.5	177.4	0	0	0	0	0	112.3	S739 Q740 I741 S747	S739-A743 WeakPolarHBondContact O-CB 3.49Å; S739-A743 PolarHBondContact O-N 3.27Å; Q740-A743 PolarHBondContact O-N 3.04Å; I741-A743 VanDerWaalsContact C-N 3.32Å; I741-A743 PolarHBondContact O-N 3.35Å; A743-S747 WeakPolarHBondContact O-CB 3.17Å; A743-S747 PolarHBondContact O-N 3.24Å; A743-S747 PolarHBondContact O-OG 2.93Å
744	E	72.1	Confident	55.6	Low	116 Å²	116	97 Å²	97	54%	0.542	52%	0.519	S	S	.	.	H	α-helix	trans	-62.7	-42.5	174.9	-76.6	-173.1	-160	0	0	112.6	K172 Q740 I741	K172-E744 IonicContact NZ-OE2 3.31Å; K172-E744 PolarHBondContact NZ-OE2 2.85Å; K172-E744 VanDerWaalsContact NZ-OE2 3.14Å; Q740-E744 PolarHBondContact O-N 2.88Å; I741-E744 PolarHBondContact O-N 3.45Å
745	V	70.8	Confident	54.5	Low	42 Å²	42	98.6 Å²	98.6	26%	0.255	54%	0.542	S	S	.	.	H	α-helix	trans	-77.1	-34.6	-176.5	176.3	0	0	0	0	112.7	L170 V225 I741 T742	L170-V745 HydrophobicContact CD1-CG1 4.08Å; V225-V745 HydrophobicContact CG1-CB 4.5Å; V225-V745 HydrophobicContact CG1-CG1 3.72Å; I741-V745 HydrophobicContact CG2-CG2 4.37Å; I741-V745 WeakPolarHBondContact O-CG2 3.21Å; I741-V745 PolarHBondContact O-N 3.44Å; T742-V745 PolarHBondContact O-N 2.79Å
746	T	68.3	Low	53.9	Low	33 Å²	33	100 Å²	100	20%	0.202	54%	0.54	C	S	.	.	H	α-helix	trans	-89.4	-14.7	-178.6	56.5	0	0	0	0	113.8	H228 T742 S748	H228-T746 HydrophobicContact CB-CG2 4.15Å; T742-T746 HydrophobicContact CG2-CG2 4.26Å; T742-T746 WeakPolarHBondContact O-CB 3.23Å; T742-T746 WeakPolarHBondContact O-CG2 3.35Å; T742-T746 PolarHBondContact O-N 2.64Å; T742-T746 PolarHBondContact O-OG1 3.04Å; T746-S748 PolarHBondContact O-N 3.4Å; T746-S748 VanDerWaalsContact O-N 3.13Å
747	S	63.3	Low	52.6	Low	76 Å²	76	95 Å²	95	53%	0.531	54%	0.535	S	S	.	.	S	Bend	trans	-72.2	108.5	174.7	83.9	0	0	0	0	110.1	A743 K749	A743-S747 WeakPolarHBondContact O-CB 3.17Å; A743-S747 PolarHBondContact O-N 3.24Å; A743-S747 PolarHBondContact O-OG 2.93Å; S747-K749 PolarHBondContact O-N 3.07Å
748	S	45.9	Very low	51.3	Low	101 Å²	101	97.6 Å²	97.6	71%	0.706	55%	0.548	S	S	*	.			trans	-69.9	92.4	174.4	-44.5	0	0	0	0	110	T746	T746-S748 PolarHBondContact O-N 3.4Å; T746-S748 VanDerWaalsContact O-N 3.13Å
749	K	37.1	Very low	49.5	Very low	178 Å²	178	102.8 Å²	102.8	77%	0.774	58%	0.58	S	S	*	*			trans	-113.1	96.5	151.4	-83.7	-169.2	176.5	-179.1	0	108.7	S747 D751	S747-K749 PolarHBondContact O-N 3.07Å; K749-D751 VanDerWaalsContact C-N 3.33Å; K749-D751 PolarHBondContact O-N 3.39Å; K749-D751 VanDerWaalsContact O-N 3.09Å
750	V	36.6	Very low	47.7	Very low	121 Å²	121	106.3 Å²	106.3	73%	0.733	60%	0.604	S	S	*	*			trans	-65.7	100.5	156	-173.4	0	0	0	0	105.6	V752	V750-V752 HydrophobicContact CB-CG2 4.33Å; V750-V752 HydrophobicContact CG1-CG2 3.46Å; V750-V752 VanDerWaalsContact CG1-CG2 3.46Å; V750-V752 PolarHBondContact O-N 2.61Å
751	D	31	Very low	46.2	Very low	132 Å²	132	103.6 Å²	103.6	71%	0.706	60%	0.602	S	S	*	*			trans	-71.3	83.5	162.5	-83.2	-24.9	0	0	0	107.4	K749 F753	K749-D751 VanDerWaalsContact C-N 3.33Å; K749-D751 PolarHBondContact O-N 3.39Å; K749-D751 VanDerWaalsContact O-N 3.09Å; D751-F753 PolarHBondContact O-N 2.72Å; D751-F753 VanDerWaalsContact O-N 3.09Å
752	V	30.9	Very low	45	Very low	93 Å²	93	104.9 Å²	104.9	56%	0.564	62%	0.621	S	S	*	*			trans	-69	101.3	161.5	-176.7	0	0	0	0	106.2	V750 N754	V750-V752 HydrophobicContact CB-CG2 4.33Å; V750-V752 HydrophobicContact CG1-CG2 3.46Å; V750-V752 VanDerWaalsContact CG1-CG2 3.46Å; V750-V752 PolarHBondContact O-N 2.61Å; V752-N754 VanDerWaalsContact C-N 3.32Å; V752-N754 PolarHBondContact O-N 2.9Å
753	F	28.2	Very low	44	Very low	190 Å²	190	111.1 Å²	111.1	83%	0.833	66%	0.662	S	S	*	*			trans	-63.6	93.4	166.8	-96.6	-88.4	0	0	0	109.5	D751	D751-F753 PolarHBondContact O-N 2.72Å; D751-F753 VanDerWaalsContact O-N 3.09Å
754	N	35.6	Very low	43.6	Very low	116 Å²	116	113.7 Å²	113.7	62%	0.62	66%	0.66	S	S	*	*			trans	-107.2	140.3	161.1	-78.5	-9.8	0	0	0	108.7	V752 N756	V752-N754 VanDerWaalsContact C-N 3.32Å; V752-N754 PolarHBondContact O-N 2.9Å; N754-N756 PolarHBondContact O-N 3.33Å
755	A	33.3	Very low	43.6	Very low	107 Å²	107	111.5 Å²	111.5	88%	0.884	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62	13.4	-165.2	0	0	0	0	0	117.4
756	N	38.5	Very low	44	Very low	156 Å²	156	114.5 Å²	114.5	83%	0.834	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.7	14.6	-174.5	-75.4	-21.6	0	0	0	115.5	N754 N758	N754-N756 PolarHBondContact O-N 3.33Å; N756-N758 PolarHBondContact O-N 3.42Å
757	S	29.7	Very low	44.7	Very low	89 Å²	89	114.7 Å²	114.7	62%	0.622	67%	0.667	S	S	*	*			trans	-88	104.5	176	57.8	0	0	0	0	112.5
758	N	35.3	Very low	45.6	Very low	164 Å²	164	113.8 Å²	113.8	88%	0.877	66%	0.659	S	S	*	*			trans	-66.2	125	167.6	-76.9	-39.4	0	0	0	110.7	N756 S760	N756-N758 PolarHBondContact O-N 3.42Å; N758-S760 PolarHBondContact O-N 3.13Å; N758-S760 VanDerWaalsContact O-N 3.14Å
759	L	33.3	Very low	47.4	Very low	170 Å²	170	110 Å²	110	89%	0.89	63%	0.631	S	S	*	*			trans	-65.4	108.7	167.4	-103.4	89.7	0	0	0	109.3	S761	L759-S761 PolarHBondContact O-N 3.14Å; L759-S761 VanDerWaalsContact O-N 3.12Å
760	S	31.3	Very low	49.4	Very low	120 Å²	120	107.8 Å²	107.8	84%	0.839	62%	0.623	S	S	*	*			trans	-75.9	90.5	162.1	170.7	0	0	0	0	109	N758 G762	N758-S760 PolarHBondContact O-N 3.13Å; N758-S760 VanDerWaalsContact O-N 3.14Å; S760-G762 PolarHBondContact O-N 2.77Å
761	S	36.3	Very low	51.5	Low	91 Å²	91	106.3 Å²	106.3	64%	0.636	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-66.1	123.8	155.4	54.5	0	0	0	0	108.4	L759	L759-S761 PolarHBondContact O-N 3.14Å; L759-S761 VanDerWaalsContact O-N 3.12Å
762	G	47.2	Very low	53.8	Low	51 Å²	51	100 Å²	100	53%	0.526	58%	0.575	S	S	.	*	P	Polyproline II helix	trans	-55.5	154.1	163.2	0	0	0	0	0	110.6	S760 R764	S760-G762 PolarHBondContact O-N 2.77Å; G762-R764 PolarHBondContact O-N 3.12Å; G762-R764 VanDerWaalsContact O-N 3.13Å
763	P	50.3	Low	56.3	Low	134 Å²	134	97.5 Å²	97.5	87%	0.87	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-62.8	118.1	-177.6	24.6	-30.9	0	0	0	109.5
764	R	61.8	Low	58.8	Low	108 Å²	108	94.6 Å²	94.6	41%	0.408	55%	0.553	S	S	.	*	P	Polyproline II helix	trans	-70.7	145.4	173.1	-63.6	-179.8	-179.7	-160.8	8.5	109	G762 I766 E791	G762-R764 PolarHBondContact O-N 3.12Å; G762-R764 VanDerWaalsContact O-N 3.13Å; R764-I766 PolarHBondContact O-N 3.5Å; R764-E791 IonicContact CZ-OE2 3.48Å; R764-E791 IonicContact NH1-OE2 2.57Å; R764-E791 PolarHBondContact NH1-OE2 2.65Å; R764-E791 IonicContact NH2-OE2 3.59Å
765	P	70.2	Confident	61	Low	69 Å²	69	92.6 Å²	92.6	45%	0.448	54%	0.539	S	S	.	.	P	Polyproline II helix	trans	-63.7	126.5	175.2	26.5	-32.2	0	0	0	109.3	F767 H792	P765-F767 HydrophobicContact CB-CE2 3.78Å; P765-F767 HydrophobicContact CB-CZ 3.92Å; P765-F767 HydrophobicContact CG-CE2 4Å; P765-F767 HydrophobicContact CG-CZ 4.35Å; P765-H792 PolarHBondContact O-ND1 3.48Å; P765-H792 VanDerWaalsContact O-ND1 3.12Å
766	I	80.7	Confident	63.1	Low	105 Å²	105	90.4 Å²	90.4	54%	0.538	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-98.2	133.6	179.2	-67.2	169.5	0	0	0	108.6	R764 H792 S794	R764-I766 PolarHBondContact O-N 3.5Å; I766-H792 CarbonylContact C-O 3.39Å; I766-H792 VanDerWaalsContact CA-O 3.27Å; I766-H792 WeakPolarHBondContact CA-O 3.28Å; I766-S794 VanDerWaalsContact CG2-N 3.26Å
767	F	81.8	Confident	64.9	Low	37 Å²	37	87.1 Å²	87.1	16%	0.162	50%	0.501	C	S	.	.			trans	-122.9	148.8	178.3	-58.4	-86.4	0	0	0	110.8	P765 L772 P781 V784 H792	P765-F767 HydrophobicContact CB-CE2 3.78Å; P765-F767 HydrophobicContact CB-CZ 3.92Å; P765-F767 HydrophobicContact CG-CE2 4Å; P765-F767 HydrophobicContact CG-CZ 4.35Å; F767-L772 HydrophobicContact CB-CD1 4.16Å; F767-L772 HydrophobicContact CB-CD2 4.41Å; F767-L772 HydrophobicContact CB-CG 4.24Å; F767-P781 HydrophobicContact CD1-CB 3.75Å; F767-P781 HydrophobicContact CD1-CG 3.71Å; F767-P781 HydrophobicContact CE1-CB 3.34Å; F767-P781 HydrophobicContact CE1-CG 3.88Å; F767-P781 HydrophobicContact CE2-CB 4.2Å; F767-P781 HydrophobicContact CG-CB 4.33Å; F767-P781 HydrophobicContact CG-CG 4.09Å; F767-P781 HydrophobicContact CZ-CB 3.59Å; F767-P781 HydrophobicContact CZ-CG 4.39Å; F767-V784 HydrophobicContact CD2-CG2 3.59Å; F767-V784 HydrophobicContact CE2-CG2 3.34Å; F767-V784 HydrophobicContact CG-CG2 4.49Å; F767-V784 HydrophobicContact CZ-CG2 4.09Å; F767-H792 HydrophobicContact CD2-CB 4.17Å; F767-H792 PolarHBondContact N-O 3.08Å
768	P	83.9	Confident	67.3	Low	58 Å²	58	90.9 Å²	90.9	38%	0.377	51%	0.508	S	S	.	.			trans	-58.7	148	174.1	-22.7	33.1	0	0	0	112.4	E770 Q771	P768-E770 WeakPolarHBondContact CB-OE2 3.38Å; P768-E770 PolarHBondContact O-N 3.05Å; P768-E770 VanDerWaalsContact O-N 3.12Å; P768-Q771 PolarHBondContact O-N 3.14Å
769	L	81.8	Confident	69.3	Low	21 Å²	21	88.5 Å²	88.5	11%	0.11	49%	0.492	C	S	.	.	G	3₁₀ helix	trans	-53.7	-37.1	-175.9	-175.2	61.9	0	0	0	113	Q771 L772 V773 L793 D797 A801 L826	L769-Q771 PolarHBondContact O-N 3.35Å; L769-L772 PolarHBondContact O-N 2.87Å; L769-V773 HydrophobicContact CD1-CG2 3.44Å; L769-V773 VanDerWaalsContact CD1-CG2 3.44Å; L769-V773 HydrophobicContact CG-CG2 3.71Å; L769-V773 VanDerWaalsContact O-CG2 3.28Å; L769-V773 WeakPolarHBondContact O-CG2 3.46Å; L769-V773 PolarHBondContact O-N 2.75Å; L769-L793 HydrophobicContact CB-CD2 4.16Å; L769-L793 HydrophobicContact CD1-CD1 3.84Å; L769-L793 HydrophobicContact CD1-CD2 3.67Å; L769-L793 HydrophobicContact CD1-CG 4.45Å; L769-D797 HydrophobicContact CB-CB 4.22Å; L769-A801 HydrophobicContact CD1-CB 3.68Å; L769-A801 HydrophobicContact CD2-CB 3.93Å; L769-A801 HydrophobicContact CG-CB 4.49Å; L769-L826 HydrophobicContact CD1-CD1 4.28Å
770	E	79.8	Confident	71.5	Confident	131 Å²	131	81.5 Å²	81.5	61%	0.612	46%	0.455	S	S	*	.	G	3₁₀ helix	trans	-68.1	-20.8	-177.1	-55.3	75.9	-163.5	0	0	113.2	P768	P768-E770 WeakPolarHBondContact CB-OE2 3.38Å; P768-E770 PolarHBondContact O-N 3.05Å; P768-E770 VanDerWaalsContact O-N 3.12Å
771	Q	80.9	Confident	73.8	Confident	91 Å²	91	77.3 Å²	77.3	43%	0.425	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-85.7	-10.6	178.3	-62.3	-172.8	4.3	0	0	112.9	P768 L769 K775	P768-Q771 PolarHBondContact O-N 3.14Å; L769-Q771 PolarHBondContact O-N 3.35Å; Q771-K775 WeakPolarHBondContact O-CG 3.36Å
772	L	79.6	Confident	75.5	Confident	0 Å²	0	82.4 Å²	82.4	0%	0	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.3	-28.8	-174.8	-60.1	-178.9	0	0	0	112.9	F767 L769 L780 V784 K789 H792 L793 L826	F767-L772 HydrophobicContact CB-CD1 4.16Å; F767-L772 HydrophobicContact CB-CD2 4.41Å; F767-L772 HydrophobicContact CB-CG 4.24Å; L769-L772 PolarHBondContact O-N 2.87Å; L772-L780 HydrophobicContact CD2-CD2 4.05Å; L772-V784 HydrophobicContact CD2-CG1 3.87Å; L772-V784 HydrophobicContact CD2-CG2 4.05Å; L772-K789 WeakPolarHBondContact CD1-O 3.38Å; L772-H792 HydrophobicContact CD1-CB 3.98Å; L772-L793 HydrophobicContact CD1-CD2 3.78Å; L772-L793 HydrophobicContact CD1-CG 4.18Å; L772-L826 HydrophobicContact CB-CD2 3.8Å
773	V	84.1	Confident	76.6	Confident	39 Å²	39	83 Å²	83	24%	0.236	45%	0.445	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	127.6	-178.1	172.9	0	0	0	0	111.6	L769 K775 L826	L769-V773 HydrophobicContact CD1-CG2 3.44Å; L769-V773 VanDerWaalsContact CD1-CG2 3.44Å; L769-V773 HydrophobicContact CG-CG2 3.71Å; L769-V773 VanDerWaalsContact O-CG2 3.28Å; L769-V773 WeakPolarHBondContact O-CG2 3.46Å; L769-V773 PolarHBondContact O-N 2.75Å; V773-K775 PolarHBondContact O-N 3.14Å; V773-K775 VanDerWaalsContact O-N 3.11Å; V773-L826 HydrophobicContact CG2-CD1 4.41Å; V773-L826 HydrophobicContact CG2-CD2 3.78Å; V773-L826 HydrophobicContact CG2-CG 3.98Å
774	N	80.3	Confident	77.9	Confident	130 Å²	130	77.2 Å²	77.2	70%	0.695	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	24.9	177.5	-63.1	-43.6	0	0	0	114.3	G825	N774-G825 PolarHBondContact N-O 3.12Å; N774-G825 WeakPolarHBondContact OD1-CA 3.36Å
775	K	80.3	Confident	78.6	Confident	74 Å²	74	75.1 Å²	75.1	32%	0.322	40%	0.404	S	S	.	.			trans	-90.7	131.3	175.3	-68.4	-53.8	-160.3	167.1	0	111.6	Q771 V773 E779 L780 K789	Q771-K775 WeakPolarHBondContact O-CG 3.36Å; V773-K775 PolarHBondContact O-N 3.14Å; V773-K775 VanDerWaalsContact O-N 3.11Å; K775-E779 HydrophobicContact CD-CB 4.35Å; K775-E779 WeakPolarHBondContact CD-OE2 3.42Å; K775-E779 IonicContact NZ-OE2 2.77Å; K775-E779 PolarHBondContact NZ-OE2 3.38Å; K775-L780 HydrophobicContact CB-CD2 3.92Å; K775-K789 PolarHBondContact O-NZ 2.7Å
776	P	78.4	Confident	78.9	Confident	60 Å²	60	74 Å²	74	39%	0.39	40%	0.397	S	S	.	.			trans	-68.7	160.5	170.6	33.6	-36.7	0	0	0	110	E778 E779	P776-E778 WeakPolarHBondContact CB-OE2 3.39Å; P776-E778 PolarHBondContact O-N 3.43Å; P776-E778 VanDerWaalsContact O-N 3.12Å; P776-E779 HydrophobicContact CG-CB 4.08Å; P776-E779 HydrophobicContact CG-CG 3.86Å; P776-E779 PolarHBondContact O-N 3.46Å
777	V	76.6	Confident	78.7	Confident	87 Å²	87	72.4 Å²	72.4	53%	0.527	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-59	-31	-171	178.9	0	0	0	0	111.9	E779 L780 P786	V777-E779 VanDerWaalsContact C-N 3.28Å; V777-E779 PolarHBondContact O-N 3.35Å; V777-L780 PolarHBondContact O-N 2.99Å; V777-P786 HydrophobicContact CG1-CB 4.46Å; V777-P786 HydrophobicContact CG1-CG 3.83Å; V777-P786 HydrophobicContact CG2-CB 4.07Å; V777-P786 HydrophobicContact CG2-CG 4.32Å
778	E	78.9	Confident	78.5	Confident	168 Å²	168	75.3 Å²	75.3	79%	0.785	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-73.2	-16.9	-179.3	-56.1	75.1	-163.6	0	0	113.4	P776	P776-E778 WeakPolarHBondContact CB-OE2 3.39Å; P776-E778 PolarHBondContact O-N 3.43Å; P776-E778 VanDerWaalsContact O-N 3.12Å
779	E	77.8	Confident	78.4	Confident	114 Å²	114	73.1 Å²	73.1	53%	0.533	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-105	3.4	179	-69.4	-176.1	-154.4	0	0	113.2	K775 P776 V777	K775-E779 HydrophobicContact CD-CB 4.35Å; K775-E779 WeakPolarHBondContact CD-OE2 3.42Å; K775-E779 IonicContact NZ-OE2 2.77Å; K775-E779 PolarHBondContact NZ-OE2 3.38Å; P776-E779 HydrophobicContact CG-CB 4.08Å; P776-E779 HydrophobicContact CG-CG 3.86Å; P776-E779 PolarHBondContact O-N 3.46Å; V777-E779 VanDerWaalsContact C-N 3.28Å; V777-E779 PolarHBondContact O-N 3.35Å
780	L	80.1	Confident	78.5	Confident	24 Å²	24	72.7 Å²	72.7	13%	0.126	39%	0.387	C	S	.	.	S	Bend	trans	-79.5	143.4	178.8	-67.8	171.9	0	0	0	111.6	L772 K775 V777 V784 P786 K789	L772-L780 HydrophobicContact CD2-CD2 4.05Å; K775-L780 HydrophobicContact CB-CD2 3.92Å; V777-L780 PolarHBondContact O-N 2.99Å; L780-V784 HydrophobicContact CB-CB 4.5Å; L780-V784 HydrophobicContact CD1-CG1 4.5Å; L780-P786 HydrophobicContact CD1-CB 3.92Å; L780-P786 HydrophobicContact CD1-CG 3.99Å; L780-K789 HydrophobicContact CD2-CD 4.47Å
781	P	80	Confident	78.6	Confident	31 Å²	31	69.8 Å²	69.8	20%	0.201	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-57.3	147.8	174.1	-24.2	33.2	0	0	0	113.4	F767 G783 V784	F767-P781 HydrophobicContact CD1-CB 3.75Å; F767-P781 HydrophobicContact CD1-CG 3.71Å; F767-P781 HydrophobicContact CE1-CB 3.34Å; F767-P781 HydrophobicContact CE1-CG 3.88Å; F767-P781 HydrophobicContact CE2-CB 4.2Å; F767-P781 HydrophobicContact CG-CB 4.33Å; F767-P781 HydrophobicContact CG-CG 4.09Å; F767-P781 HydrophobicContact CZ-CB 3.59Å; F767-P781 HydrophobicContact CZ-CG 4.39Å; P781-G783 PolarHBondContact O-N 3.09Å; P781-V784 HydrophobicContact CB-CG2 4.01Å; P781-V784 HydrophobicContact CG-CG2 4.33Å; P781-V784 WeakPolarHBondContact O-CB 3.39Å; P781-V784 WeakPolarHBondContact O-CG2 3.28Å; P781-V784 PolarHBondContact O-N 3.28Å; P781-V784 VanDerWaalsContact O-N 3.17Å
782	E	71.1	Confident	78.6	Confident	198 Å²	198	65.9 Å²	65.9	93%	0.925	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	123.7	-178.9	-161.3	173.7	-173	0	0	110.9
783	G	70.5	Confident	78.7	Confident	63 Å²	63	66.6 Å²	66.6	65%	0.649	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	94	2.9	-178	0	0	0	0	0	116.1	P781 H792	P781-G783 PolarHBondContact O-N 3.09Å; G783-H792 PolarHBondContact O-CE1 2.97Å
784	V	78.4	Confident	78.7	Confident	14 Å²	14	65.7 Å²	65.7	9%	0.085	35%	0.354	C	S	.	.			trans	-82.5	124.6	170.5	176.4	0	0	0	0	110.3	F767 L772 L780 P781 P786 K789	F767-V784 HydrophobicContact CD2-CG2 3.59Å; F767-V784 HydrophobicContact CE2-CG2 3.34Å; F767-V784 HydrophobicContact CG-CG2 4.49Å; F767-V784 HydrophobicContact CZ-CG2 4.09Å; L772-V784 HydrophobicContact CD2-CG1 3.87Å; L772-V784 HydrophobicContact CD2-CG2 4.05Å; L780-V784 HydrophobicContact CB-CB 4.5Å; L780-V784 HydrophobicContact CD1-CG1 4.5Å; P781-V784 HydrophobicContact CB-CG2 4.01Å; P781-V784 HydrophobicContact CG-CG2 4.33Å; P781-V784 WeakPolarHBondContact O-CB 3.39Å; P781-V784 WeakPolarHBondContact O-CG2 3.28Å; P781-V784 PolarHBondContact O-N 3.28Å; P781-V784 VanDerWaalsContact O-N 3.17Å; V784-P786 VanDerWaalsContact O-CD 3.28Å; V784-P786 WeakPolarHBondContact O-CD 3.41Å; V784-K789 HydrophobicContact CG1-CG 4.4Å
785	D	76.1	Confident	78.7	Confident	63 Å²	63	65.4 Å²	65.4	34%	0.337	35%	0.351	S	S	.	.			trans	-74.9	115.3	170.5	-178.3	-17	0	0	0	109.5	S787 R788 K789 H792	D785-S787 VanDerWaalsContact CG-OG 3.32Å; D785-S787 PolarHBondContact O-N 3.18Å; D785-S787 VanDerWaalsContact O-N 3.11Å; D785-S787 WeakPolarHBondContact OD1-CB 3.5Å; D785-S787 PolarHBondContact OD1-N 3.14Å; D785-S787 PolarHBondContact OD1-OG 2.73Å; D785-S787 PolarHBondContact OD2-OG 3.16Å; D785-R788 HydrophobicContact CB-CB 4.19Å; D785-R788 CarbonylContact O-C 3.58Å; D785-R788 PolarHBondContact O-N 2.83Å; D785-R788 WeakPolarHBondContact OD2-CD 3.36Å; D785-K789 PolarHBondContact O-N 2.95Å; D785-H792 PolarHBondContact N-NE2 3.31Å
786	P	76.9	Confident	78.8	Confident	47 Å²	47	69.3 Å²	69.3	31%	0.305	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-24.4	-177.9	-21.8	33.4	0	0	0	113.4	V777 L780 V784 R788 K789	V777-P786 HydrophobicContact CG1-CB 4.46Å; V777-P786 HydrophobicContact CG1-CG 3.83Å; V777-P786 HydrophobicContact CG2-CB 4.07Å; V777-P786 HydrophobicContact CG2-CG 4.32Å; L780-P786 HydrophobicContact CD1-CB 3.92Å; L780-P786 HydrophobicContact CD1-CG 3.99Å; V784-P786 VanDerWaalsContact O-CD 3.28Å; V784-P786 WeakPolarHBondContact O-CD 3.41Å; P786-R788 VanDerWaalsContact C-N 3.34Å; P786-K789 WeakPolarHBondContact O-CE 3.34Å
787	S	74.6	Confident	79.1	Confident	71 Å²	71	68 Å²	68	50%	0.497	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-10.2	178.5	73.9	0	0	0	0	113.2	D785 K821	D785-S787 VanDerWaalsContact CG-OG 3.32Å; D785-S787 PolarHBondContact O-N 3.18Å; D785-S787 VanDerWaalsContact O-N 3.11Å; D785-S787 WeakPolarHBondContact OD1-CB 3.5Å; D785-S787 PolarHBondContact OD1-N 3.14Å; D785-S787 PolarHBondContact OD1-OG 2.73Å; D785-S787 PolarHBondContact OD2-OG 3.16Å; S787-K821 PolarHBondContact O-NZ 2.86Å
788	R	78.9	Confident	79.6	Confident	98 Å²	98	64.2 Å²	64.2	37%	0.37	34%	0.337	S	S	.	.			trans	-138.6	36.4	-173.6	-57.8	175.6	73.8	177.9	2	112.7	D785 P786 E790 E791 H792	D785-R788 HydrophobicContact CB-CB 4.19Å; D785-R788 CarbonylContact O-C 3.58Å; D785-R788 PolarHBondContact O-N 2.83Å; D785-R788 WeakPolarHBondContact OD2-CD 3.36Å; P786-R788 VanDerWaalsContact C-N 3.34Å; R788-E790 WeakPolarHBondContact CA-OE2 3.09Å; R788-E790 PolarHBondContact O-N 2.67Å; R788-E790 VanDerWaalsContact O-N 3.12Å; R788-E791 HydrophobicContact CB-CG 4.4Å; R788-E791 IonicContact CZ-OE1 2.83Å; R788-E791 IonicContact CZ-OE2 3.55Å; R788-E791 IonicContact NE-OE1 2.73Å; R788-E791 PolarHBondContact NE-OE1 3.24Å; R788-E791 VanDerWaalsContact NE-OE1 3.14Å; R788-E791 IonicContact NE-OE2 2.67Å; R788-E791 PolarHBondContact NE-OE2 2.87Å; R788-E791 IonicContact NH1-OE2 3.39Å; R788-E791 IonicContact NH2-OE1 2.7Å; R788-E791 PolarHBondContact NH2-OE1 3.11Å; R788-E791 IonicContact NH2-OE2 2.89Å; R788-E791 PolarHBondContact NH2-OE2 2.69Å; R788-E791 PolarHBondContact O-N 2.96Å; R788-H792 PolarHBondContact O-CD2 3.32Å
789	K	82.4	Confident	79.8	Confident	11 Å²	11	58.7 Å²	58.7	5%	0.048	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-51	-35.7	-179.6	-65.2	171.3	-177	171.5	0	113.2	L772 K775 L780 V784 D785 P786 E791 H792 L826 F827	L772-K789 WeakPolarHBondContact CD1-O 3.38Å; K775-K789 PolarHBondContact O-NZ 2.7Å; L780-K789 HydrophobicContact CD2-CD 4.47Å; V784-K789 HydrophobicContact CG1-CG 4.4Å; D785-K789 PolarHBondContact O-N 2.95Å; P786-K789 WeakPolarHBondContact O-CE 3.34Å; K789-E791 PolarHBondContact O-N 3.34Å; K789-H792 PolarHBondContact O-N 3.34Å; K789-L826 HydrophobicContact CB-CD2 4.02Å; K789-F827 PolarHBondContact NZ-O 2.77Å
790	E	82	Confident	80.1	Confident	13 Å²	13	60 Å²	60	6%	0.061	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-63.9	-22.6	180	74.5	-79	-161.6	0	0	114.1	R788 H792 F798 F802 F809 K821	R788-E790 WeakPolarHBondContact CA-OE2 3.09Å; R788-E790 PolarHBondContact O-N 2.67Å; R788-E790 VanDerWaalsContact O-N 3.12Å; E790-H792 VanDerWaalsContact C-N 3.26Å; E790-H792 PolarHBondContact O-N 2.57Å; E790-F798 HydrophobicContact CB-CD2 4.38Å; E790-F798 HydrophobicContact CB-CE2 3.84Å; E790-F798 HydrophobicContact CG-CE2 4.1Å; E790-F798 WeakPolarHBondContact O-CD2 3.44Å; E790-F802 HydrophobicContact CB-CE2 3.92Å; E790-F802 HydrophobicContact CB-CZ 4.15Å; E790-F809 HydrophobicContact CG-CE1 4.07Å; E790-K821 IonicContact OE1-NZ 3.77Å; E790-K821 PolarHBondContact OE1-NZ 3.29Å; E790-K821 WeakPolarHBondContact OE2-CE 3.46Å; E790-K821 IonicContact OE2-NZ 2.78Å; E790-K821 PolarHBondContact OE2-NZ 2.88Å
791	E	82	Confident	80.2	Confident	70 Å²	70	59.5 Å²	59.5	33%	0.327	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-87	-1.1	-179.5	-58.9	-178.3	164.8	0	0	113	R764 R788 K789	R764-E791 IonicContact CZ-OE2 3.48Å; R764-E791 IonicContact NH1-OE2 2.57Å; R764-E791 PolarHBondContact NH1-OE2 2.65Å; R764-E791 IonicContact NH2-OE2 3.59Å; R788-E791 HydrophobicContact CB-CG 4.4Å; R788-E791 IonicContact CZ-OE1 2.83Å; R788-E791 IonicContact CZ-OE2 3.55Å; R788-E791 IonicContact NE-OE1 2.73Å; R788-E791 PolarHBondContact NE-OE1 3.24Å; R788-E791 VanDerWaalsContact NE-OE1 3.14Å; R788-E791 IonicContact NE-OE2 2.67Å; R788-E791 PolarHBondContact NE-OE2 2.87Å; R788-E791 IonicContact NH1-OE2 3.39Å; R788-E791 IonicContact NH2-OE1 2.7Å; R788-E791 PolarHBondContact NH2-OE1 3.11Å; R788-E791 IonicContact NH2-OE2 2.89Å; R788-E791 PolarHBondContact NH2-OE2 2.69Å; R788-E791 PolarHBondContact O-N 2.96Å; K789-E791 PolarHBondContact O-N 3.34Å
792	H	82	Confident	80.3	Confident	9 Å²	9	58.7 Å²	58.7	4%	0.042	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-105.5	9.9	173.6	-66.4	-84.6	0	0	0	112.1	P765 I766 F767 L772 G783 D785 R788 K789 E790	P765-H792 PolarHBondContact O-ND1 3.48Å; P765-H792 VanDerWaalsContact O-ND1 3.12Å; I766-H792 CarbonylContact C-O 3.39Å; I766-H792 VanDerWaalsContact CA-O 3.27Å; I766-H792 WeakPolarHBondContact CA-O 3.28Å; F767-H792 HydrophobicContact CD2-CB 4.17Å; F767-H792 PolarHBondContact N-O 3.08Å; L772-H792 HydrophobicContact CD1-CB 3.98Å; G783-H792 PolarHBondContact O-CE1 2.97Å; D785-H792 PolarHBondContact N-NE2 3.31Å; R788-H792 PolarHBondContact O-CD2 3.32Å; K789-H792 PolarHBondContact O-N 3.34Å; E790-H792 VanDerWaalsContact C-N 3.26Å; E790-H792 PolarHBondContact O-N 2.57Å
793	L	81.4	Confident	80.9	Confident	14 Å²	14	52.5 Å²	52.5	7%	0.073	30%	0.303	C	S	.	.	S	Bend	trans	-91.4	150.9	174.1	-67.4	172.1	0	0	0	111.3	L769 L772 D797 F798 F802 L826	L769-L793 HydrophobicContact CB-CD2 4.16Å; L769-L793 HydrophobicContact CD1-CD1 3.84Å; L769-L793 HydrophobicContact CD1-CD2 3.67Å; L769-L793 HydrophobicContact CD1-CG 4.45Å; L772-L793 HydrophobicContact CD1-CD2 3.78Å; L772-L793 HydrophobicContact CD1-CG 4.18Å; L793-D797 HydrophobicContact CB-CB 4.28Å; L793-D797 HydrophobicContact CD2-CB 4.1Å; L793-F798 HydrophobicContact CB-CB 4.19Å; L793-F798 HydrophobicContact CB-CD2 4.49Å; L793-F798 HydrophobicContact CD1-CD2 4.37Å; L793-F802 HydrophobicContact CD1-CE2 4.42Å; L793-L826 HydrophobicContact CD1-CD1 3.9Å
794	S	83.8	Confident	81.6	Confident	20 Å²	20	52.1 Å²	52.1	14%	0.14	29%	0.285	C	S	.	.			trans	-66.2	159.2	166.5	75.4	0	0	0	0	109.4	I766 E796 D797 F798	I766-S794 VanDerWaalsContact CG2-N 3.26Å; S794-E796 PolarHBondContact O-N 3.31Å; S794-D797 PolarHBondContact O-N 3Å; S794-D797 WeakPolarHBondContact OG-CB 3.35Å; S794-D797 PolarHBondContact OG-N 2.99Å; S794-D797 PolarHBondContact OG-OD2 3.33Å; S794-F798 VanDerWaalsContact O-CB 3.23Å; S794-F798 WeakPolarHBondContact O-CB 3.47Å; S794-F798 PolarHBondContact O-N 3.4Å
795	I	81.2	Confident	81.9	Confident	124 Å²	124	54.8 Å²	54.8	64%	0.636	30%	0.301	S	S	*	.	H	α-helix	trans	-60.1	-33.8	177.5	-64.3	172.4	0	0	0	110.7	T799	I795-T799 WeakPolarHBondContact O-CB 3.49Å; I795-T799 PolarHBondContact O-N 2.96Å; I795-T799 PolarHBondContact O-OG1 3.48Å
796	E	81.6	Confident	82.2	Confident	156 Å²	156	54.1 Å²	54.1	73%	0.729	30%	0.3	S	S	*	.	H	α-helix	trans	-67.9	-51.2	177.7	-70.7	145.1	-165.9	0	0	111	S794 F798 T799 Q800	S794-E796 PolarHBondContact O-N 3.31Å; E796-F798 VanDerWaalsContact C-N 3.33Å; E796-F798 PolarHBondContact O-N 3.18Å; E796-T799 PolarHBondContact O-N 3.01Å; E796-Q800 WeakPolarHBondContact O-CB 3.45Å; E796-Q800 PolarHBondContact O-N 3.12Å
797	D	83.9	Confident	82.3	Confident	32 Å²	32	55.2 Å²	55.2	17%	0.171	31%	0.314	C	S	.	.	H	α-helix	trans	-65	-37.2	178.4	-66	-42.5	0	0	0	112.2	L769 L793 S794 Q800 A801	L769-D797 HydrophobicContact CB-CB 4.22Å; L793-D797 HydrophobicContact CB-CB 4.28Å; L793-D797 HydrophobicContact CD2-CB 4.1Å; S794-D797 PolarHBondContact O-N 3Å; S794-D797 WeakPolarHBondContact OG-CB 3.35Å; S794-D797 PolarHBondContact OG-N 2.99Å; S794-D797 PolarHBondContact OG-OD2 3.33Å; D797-Q800 PolarHBondContact O-N 2.87Å; D797-A801 VanDerWaalsContact O-CB 3.28Å; D797-A801 WeakPolarHBondContact O-CB 3.46Å; D797-A801 PolarHBondContact O-N 3.32Å
798	F	87.5	Confident	82.5	Confident	8 Å²	8	53.9 Å²	53.9	4%	0.035	31%	0.307	C	S	.	.	H	α-helix	trans	-63.2	-46.1	175.1	-169.9	-76.1	0	0	0	110.9	E790 L793 S794 E796 Q800 A801 F802 M804 P806 F809	E790-F798 HydrophobicContact CB-CD2 4.38Å; E790-F798 HydrophobicContact CB-CE2 3.84Å; E790-F798 HydrophobicContact CG-CE2 4.1Å; E790-F798 WeakPolarHBondContact O-CD2 3.44Å; L793-F798 HydrophobicContact CB-CB 4.19Å; L793-F798 HydrophobicContact CB-CD2 4.49Å; L793-F798 HydrophobicContact CD1-CD2 4.37Å; S794-F798 VanDerWaalsContact O-CB 3.23Å; S794-F798 WeakPolarHBondContact O-CB 3.47Å; S794-F798 PolarHBondContact O-N 3.4Å; E796-F798 VanDerWaalsContact C-N 3.33Å; E796-F798 PolarHBondContact O-N 3.18Å; F798-Q800 VanDerWaalsContact C-N 3.3Å; F798-Q800 PolarHBondContact O-N 3.39Å; F798-A801 PolarHBondContact O-N 3.39Å; F798-F802 HydrophobicContact CD1-CB 4.44Å; F798-F802 HydrophobicContact CD1-CD2 4.02Å; F798-F802 HydrophobicContact CD2-CD2 4.09Å; F798-F802 HydrophobicContact CD2-CE2 4.26Å; F798-F802 HydrophobicContact CE1-CB 4.09Å; F798-F802 AromaticContact CE1-CD2 3.81Å; F798-F802 HydrophobicContact CE1-CD2 3.81Å; F798-F802 HydrophobicContact CE1-CG 4.2Å; F798-F802 AromaticContact CE2-CD2 3.92Å; F798-F802 HydrophobicContact CE2-CD2 3.92Å; F798-F802 AromaticContact CE2-CE2 3.99Å; F798-F802 HydrophobicContact CE2-CE2 3.99Å; F798-F802 HydrophobicContact CG-CD2 4.14Å; F798-F802 AromaticContact CZ-CD2 3.75Å; F798-F802 HydrophobicContact CZ-CD2 3.75Å; F798-F802 HydrophobicContact CZ-CE2 4.17Å; F798-F802 HydrophobicContact CZ-CG 4.32Å; F798-F802 PolarHBondContact O-N 3.49Å; F798-M804 WeakPolarHBondContact CD1-O 3.37Å; F798-P806 HydrophobicContact CB-CG 4.14Å; F798-P806 HydrophobicContact CD1-CB 4.27Å; F798-P806 HydrophobicContact CD1-CG 3.65Å; F798-P806 HydrophobicContact CD2-CG 4.13Å; F798-P806 VanDerWaalsContact CE1-CA 3.47Å; F798-P806 HydrophobicContact CE1-CB 4.22Å; F798-P806 HydrophobicContact CE1-CG 4.1Å; F798-P806 HydrophobicContact CE2-CB 4.43Å; F798-P806 HydrophobicContact CE2-CG 4.49Å; F798-P806 HydrophobicContact CG-CB 4.45Å; F798-P806 HydrophobicContact CG-CG 3.69Å; F798-P806 HydrophobicContact CZ-CB 4.3Å; F798-P806 HydrophobicContact CZ-CG 4.49Å; F798-F809 HydrophobicContact CE1-CB 3.74Å; F798-F809 HydrophobicContact CE1-CG 4.19Å; F798-F809 HydrophobicContact CE2-CD1 4.48Å; F798-F809 HydrophobicContact CZ-CB 3.51Å; F798-F809 AromaticContact CZ-CD1 3.77Å; F798-F809 HydrophobicContact CZ-CD1 3.77Å; F798-F809 HydrophobicContact CZ-CD2 4.11Å; F798-F809 HydrophobicContact CZ-CE1 4.49Å; F798-F809 AromaticContact CZ-CG 3.55Å; F798-F809 HydrophobicContact CZ-CG 3.55Å
799	T	84.3	Confident	82.8	Confident	53 Å²	53	49.7 Å²	49.7	33%	0.325	29%	0.291	S	S	.	.	H	α-helix	trans	-68	-34.5	179.6	-53.9	0	0	0	0	110.8	I795 E796 G803	I795-T799 WeakPolarHBondContact O-CB 3.49Å; I795-T799 PolarHBondContact O-N 2.96Å; I795-T799 PolarHBondContact O-OG1 3.48Å; E796-T799 PolarHBondContact O-N 3.01Å; T799-G803 WeakPolarHBondContact O-CA 3.23Å; T799-G803 PolarHBondContact O-N 2.93Å
800	Q	83.3	Confident	82.7	Confident	142 Å²	142	53 Å²	53	66%	0.664	32%	0.316	S	S	*	.	H	α-helix	trans	-66.5	-41.2	172.8	-176.6	175.8	-13.2	0	0	112.4	E796 D797 F798	E796-Q800 WeakPolarHBondContact O-CB 3.45Å; E796-Q800 PolarHBondContact O-N 3.12Å; D797-Q800 PolarHBondContact O-N 2.87Å; F798-Q800 VanDerWaalsContact C-N 3.3Å; F798-Q800 PolarHBondContact O-N 3.39Å
801	A	81.7	Confident	82.7	Confident	13 Å²	13	56.3 Å²	56.3	11%	0.107	35%	0.345	C	S	.	.	H	α-helix	trans	-73.9	-43.6	-178.4	0	0	0	0	0	113.2	L769 D797 F798 K824	L769-A801 HydrophobicContact CD1-CB 3.68Å; L769-A801 HydrophobicContact CD2-CB 3.93Å; L769-A801 HydrophobicContact CG-CB 4.49Å; D797-A801 VanDerWaalsContact O-CB 3.28Å; D797-A801 WeakPolarHBondContact O-CB 3.46Å; D797-A801 PolarHBondContact O-N 3.32Å; F798-A801 PolarHBondContact O-N 3.39Å; A801-K824 WeakPolarHBondContact O-CD 3.35Å; A801-K824 VanDerWaalsContact O-CE 3.23Å; A801-K824 WeakPolarHBondContact O-CE 3.43Å
802	F	83.4	Confident	82.6	Confident	13 Å²	13	54.9 Å²	54.9	6%	0.057	34%	0.34	C	S	.	.	H	α-helix	trans	-105.6	-9	-172.3	-67.2	-77.7	0	0	0	114.3	E790 L793 F798 M804 F809 L820 K821 K824 L826	E790-F802 HydrophobicContact CB-CE2 3.92Å; E790-F802 HydrophobicContact CB-CZ 4.15Å; L793-F802 HydrophobicContact CD1-CE2 4.42Å; F798-F802 HydrophobicContact CD1-CB 4.44Å; F798-F802 HydrophobicContact CD1-CD2 4.02Å; F798-F802 HydrophobicContact CD2-CD2 4.09Å; F798-F802 HydrophobicContact CD2-CE2 4.26Å; F798-F802 HydrophobicContact CE1-CB 4.09Å; F798-F802 AromaticContact CE1-CD2 3.81Å; F798-F802 HydrophobicContact CE1-CD2 3.81Å; F798-F802 HydrophobicContact CE1-CG 4.2Å; F798-F802 AromaticContact CE2-CD2 3.92Å; F798-F802 HydrophobicContact CE2-CD2 3.92Å; F798-F802 AromaticContact CE2-CE2 3.99Å; F798-F802 HydrophobicContact CE2-CE2 3.99Å; F798-F802 HydrophobicContact CG-CD2 4.14Å; F798-F802 AromaticContact CZ-CD2 3.75Å; F798-F802 HydrophobicContact CZ-CD2 3.75Å; F798-F802 HydrophobicContact CZ-CE2 4.17Å; F798-F802 HydrophobicContact CZ-CG 4.32Å; F798-F802 PolarHBondContact O-N 3.49Å; F802-M804 HydrophobicContact CB-CG 4.08Å; F802-M804 PolarHBondContact O-N 3.12Å; F802-F809 HydrophobicContact CD1-CD2 4.15Å; F802-F809 AromaticContact CD1-CE2 3.91Å; F802-F809 HydrophobicContact CD1-CE2 3.91Å; F802-F809 HydrophobicContact CE1-CD2 4.47Å; F802-F809 AromaticContact CE1-CE2 3.81Å; F802-F809 HydrophobicContact CE1-CE2 3.81Å; F802-F809 HydrophobicContact CE1-CZ 4.4Å; F802-F809 HydrophobicContact CG-CD2 4.4Å; F802-F809 HydrophobicContact CZ-CE2 4.35Å; F802-L820 HydrophobicContact CD1-CB 4.21Å; F802-L820 HydrophobicContact CE1-CB 4.16Å; F802-K821 HydrophobicContact CE1-CG 4.4Å; F802-K821 HydrophobicContact CZ-CG 4.25Å; F802-K824 HydrophobicContact CD1-CG 4.15Å; F802-K824 HydrophobicContact CE1-CB 4.24Å; F802-K824 HydrophobicContact CE1-CG 4.06Å; F802-L826 HydrophobicContact CE2-CD1 3.62Å; F802-L826 HydrophobicContact CZ-CD1 3.58Å
803	G	82.8	Confident	82.5	Confident	68 Å²	68	57.7 Å²	57.7	70%	0.701	36%	0.359	S	S	*	.	S	Bend	trans	66.4	14.5	-177.4	0	0	0	0	0	114	T799	T799-G803 WeakPolarHBondContact O-CA 3.23Å; T799-G803 PolarHBondContact O-N 2.93Å
804	M	86.5	Confident	82.3	Confident	55 Å²	55	66.8 Å²	66.8	27%	0.271	39%	0.392	S	S	.	.	S	Bend	trans	-151.5	162.1	-177.3	68.4	-174.5	73.6	0	0	110.4	F798 F802 A808 F809 L812 L820	F798-M804 WeakPolarHBondContact CD1-O 3.37Å; F802-M804 HydrophobicContact CB-CG 4.08Å; F802-M804 PolarHBondContact O-N 3.12Å; M804-A808 HydrophobicContact CB-CB 4.22Å; M804-F809 HydrophobicContact CG-CB 4.35Å; M804-F809 HydrophobicContact SD-CB 4.15Å; M804-F809 HydrophobicContact SD-CD2 4.4Å; M804-L812 HydrophobicContact CE-CD1 4.46Å; M804-L812 HydrophobicContact SD-CD1 3.95Å; M804-L820 HydrophobicContact CE-CD1 4.26Å
805	T	84.1	Confident	82	Confident	71 Å²	71	73.7 Å²	73.7	44%	0.436	42%	0.415	S	S	.	.			trans	-74.9	155.8	179.7	62.9	0	0	0	0	111.7	A807 A808 F809	T805-A807 PolarHBondContact O-N 3.34Å; T805-A808 WeakPolarHBondContact O-CB 3.34Å; T805-A808 PolarHBondContact O-N 3.01Å; T805-A808 PolarHBondContact OG1-N 3.49Å; T805-F809 PolarHBondContact O-N 3.13Å
806	P	81.3	Confident	81.9	Confident	48 Å²	48	72.3 Å²	72.3	31%	0.312	41%	0.405	S	S	.	.	H	α-helix	trans	-53.9	-35.5	174.8	-26.4	32.5	0	0	0	113.9	F798 F809 S810	F798-P806 HydrophobicContact CB-CG 4.14Å; F798-P806 HydrophobicContact CD1-CB 4.27Å; F798-P806 HydrophobicContact CD1-CG 3.65Å; F798-P806 HydrophobicContact CD2-CG 4.13Å; F798-P806 VanDerWaalsContact CE1-CA 3.47Å; F798-P806 HydrophobicContact CE1-CB 4.22Å; F798-P806 HydrophobicContact CE1-CG 4.1Å; F798-P806 HydrophobicContact CE2-CB 4.43Å; F798-P806 HydrophobicContact CE2-CG 4.49Å; F798-P806 HydrophobicContact CG-CB 4.45Å; F798-P806 HydrophobicContact CG-CG 3.69Å; F798-P806 HydrophobicContact CZ-CB 4.3Å; F798-P806 HydrophobicContact CZ-CG 4.49Å; P806-F809 PolarHBondContact O-N 3.12Å; P806-S810 PolarHBondContact O-N 3.43Å; P806-S810 PolarHBondContact O-OG 3.27Å
807	A	79.9	Confident	81.9	Confident	71 Å²	71	66.8 Å²	66.8	59%	0.587	38%	0.379	S	S	*	.	H	α-helix	trans	-68.4	-36.7	176.5	0	0	0	0	0	112.9	T805 S810 A811	T805-A807 PolarHBondContact O-N 3.34Å; A807-S810 PolarHBondContact O-OG 3.19Å; A807-S810 VanDerWaalsContact O-OG 3.09Å; A807-A811 PolarHBondContact O-N 3.25Å
808	A	79.1	Confident	81.9	Confident	43 Å²	43	69.9 Å²	69.9	36%	0.355	39%	0.392	S	S	.	.	H	α-helix	trans	-71.1	-35.6	174.7	0	0	0	0	0	111.6	M804 T805	M804-A808 HydrophobicContact CB-CB 4.22Å; T805-A808 WeakPolarHBondContact O-CB 3.34Å; T805-A808 PolarHBondContact O-N 3.01Å; T805-A808 PolarHBondContact OG1-N 3.49Å
809	F	85.5	Confident	81.7	Confident	9 Å²	9	73.6 Å²	73.6	4%	0.039	41%	0.413	C	S	.	.	H	α-helix	trans	-67.6	-44.7	176.1	-179.9	-94	0	0	0	112.5	E790 F798 F802 M804 T805 P806 A811 L812 Q817 L820 K821	E790-F809 HydrophobicContact CG-CE1 4.07Å; F798-F809 HydrophobicContact CE1-CB 3.74Å; F798-F809 HydrophobicContact CE1-CG 4.19Å; F798-F809 HydrophobicContact CE2-CD1 4.48Å; F798-F809 HydrophobicContact CZ-CB 3.51Å; F798-F809 AromaticContact CZ-CD1 3.77Å; F798-F809 HydrophobicContact CZ-CD1 3.77Å; F798-F809 HydrophobicContact CZ-CD2 4.11Å; F798-F809 HydrophobicContact CZ-CE1 4.49Å; F798-F809 AromaticContact CZ-CG 3.55Å; F798-F809 HydrophobicContact CZ-CG 3.55Å; F802-F809 HydrophobicContact CD1-CD2 4.15Å; F802-F809 AromaticContact CD1-CE2 3.91Å; F802-F809 HydrophobicContact CD1-CE2 3.91Å; F802-F809 HydrophobicContact CE1-CD2 4.47Å; F802-F809 AromaticContact CE1-CE2 3.81Å; F802-F809 HydrophobicContact CE1-CE2 3.81Å; F802-F809 HydrophobicContact CE1-CZ 4.4Å; F802-F809 HydrophobicContact CG-CD2 4.4Å; F802-F809 HydrophobicContact CZ-CE2 4.35Å; M804-F809 HydrophobicContact CG-CB 4.35Å; M804-F809 HydrophobicContact SD-CB 4.15Å; M804-F809 HydrophobicContact SD-CD2 4.4Å; T805-F809 PolarHBondContact O-N 3.13Å; P806-F809 PolarHBondContact O-N 3.12Å; F809-A811 PolarHBondContact O-N 3.45Å; F809-L812 WeakPolarHBondContact O-CB 3.35Å; F809-L812 PolarHBondContact O-N 3.41Å; F809-Q817 HydrophobicContact CD1-CG 4.34Å; F809-Q817 HydrophobicContact CE1-CB 4Å; F809-Q817 HydrophobicContact CE1-CG 3.98Å; F809-Q817 HydrophobicContact CE2-CB 4.19Å; F809-Q817 HydrophobicContact CE2-CG 4.36Å; F809-Q817 HydrophobicContact CZ-CB 3.64Å; F809-Q817 HydrophobicContact CZ-CG 3.99Å; F809-Q817 PolarHBondContact O-NE2 3.28Å; F809-Q817 VanDerWaalsContact O-NE2 3.16Å; F809-L820 HydrophobicContact CD2-CD1 4.37Å; F809-L820 HydrophobicContact CE2-CB 4.16Å; F809-L820 HydrophobicContact CE2-CD1 4.26Å; F809-K821 HydrophobicContact CZ-CD 4.15Å; F809-K821 HydrophobicContact CZ-CG 3.99Å
810	S	78.9	Confident	81.6	Confident	82 Å²	82	72.6 Å²	72.6	57%	0.573	41%	0.405	S	S	*	.	H	α-helix	trans	-65.5	-24.6	179.2	65.9	0	0	0	0	113.2	P806 A807 L812 Q817	P806-S810 PolarHBondContact O-N 3.43Å; P806-S810 PolarHBondContact O-OG 3.27Å; A807-S810 PolarHBondContact O-OG 3.19Å; A807-S810 VanDerWaalsContact O-OG 3.09Å; S810-L812 VanDerWaalsContact C-N 3.3Å; S810-L812 PolarHBondContact O-N 3.23Å; S810-Q817 PolarHBondContact O-NE2 3.17Å
811	A	82.8	Confident	81.8	Confident	81 Å²	81	66.6 Å²	66.6	67%	0.669	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-11.6	173.9	0	0	0	0	0	114.1	A807 F809	A807-A811 PolarHBondContact O-N 3.25Å; F809-A811 PolarHBondContact O-N 3.45Å
812	L	80.5	Confident	81.8	Confident	40 Å²	40	71.3 Å²	71.3	21%	0.209	40%	0.395	C	S	.	.	S	Bend	trans	-76.7	150.6	177.4	-62.9	176.5	0	0	0	111.7	M804 F809 S810 K816 Q817 L820	M804-L812 HydrophobicContact CE-CD1 4.46Å; M804-L812 HydrophobicContact SD-CD1 3.95Å; F809-L812 WeakPolarHBondContact O-CB 3.35Å; F809-L812 PolarHBondContact O-N 3.41Å; S810-L812 VanDerWaalsContact C-N 3.3Å; S810-L812 PolarHBondContact O-N 3.23Å; L812-K816 HydrophobicContact CD2-CD 4.26Å; L812-Q817 HydrophobicContact CB-CG 3.93Å; L812-Q817 PolarHBondContact O-NE2 3.31Å; L812-L820 HydrophobicContact CD1-CD1 3.71Å
813	P	78.4	Confident	81.9	Confident	69 Å²	69	77.2 Å²	77.2	45%	0.448	42%	0.423	S	S	.	.			trans	-57.2	143	170	-25.4	34.8	0	0	0	112.5	W815 K816 Q817	P813-W815 VanDerWaalsContact C-N 3.28Å; P813-W815 PolarHBondContact O-N 3.38Å; P813-W815 VanDerWaalsContact O-N 3.13Å; P813-K816 WeakPolarHBondContact O-CA 3.49Å; P813-K816 WeakPolarHBondContact O-CB 3.23Å; P813-K816 PolarHBondContact O-N 2.86Å; P813-Q817 PolarHBondContact O-N 3.42Å; P813-Q817 VanDerWaalsContact O-N 3.14Å
814	R	78.8	Confident	81.9	Confident	205 Å²	205	77.8 Å²	77.8	77%	0.774	41%	0.406	S	S	*	.	H	α-helix	trans	-51	-41	-174.9	-76.2	-173.8	177.6	175.5	0.2	114.5	K816 Q817 Q818	R814-K816 VanDerWaalsContact C-N 3.26Å; R814-K816 PolarHBondContact O-N 3.01Å; R814-Q817 PolarHBondContact O-N 3.4Å; R814-Q818 WeakPolarHBondContact O-CG 3.1Å; R814-Q818 PolarHBondContact O-N 2.92Å
815	W	76.4	Confident	81.5	Confident	164 Å²	164	75.6 Å²	75.6	62%	0.621	40%	0.397	S	S	*	.	H	α-helix	trans	-63.7	-32.6	178.8	68.9	-95.3	0	0	0	112.4	P813 N819	P813-W815 VanDerWaalsContact C-N 3.28Å; P813-W815 PolarHBondContact O-N 3.38Å; P813-W815 VanDerWaalsContact O-N 3.13Å; W815-N819 PolarHBondContact O-N 3.03Å; W815-N819 VanDerWaalsContact O-N 3.14Å
816	K	80.1	Confident	81.4	Confident	96 Å²	96	72.2 Å²	72.2	42%	0.417	38%	0.377	S	S	.	.	H	α-helix	trans	-78	-37.4	178.9	-166.5	170.7	179	-179	0	111.4	L812 P813 R814 N819 L820	L812-K816 HydrophobicContact CD2-CD 4.26Å; P813-K816 WeakPolarHBondContact O-CA 3.49Å; P813-K816 WeakPolarHBondContact O-CB 3.23Å; P813-K816 PolarHBondContact O-N 2.86Å; R814-K816 VanDerWaalsContact C-N 3.26Å; R814-K816 PolarHBondContact O-N 3.01Å; K816-N819 PolarHBondContact O-N 3.23Å; K816-L820 WeakPolarHBondContact O-CG 3.28Å; K816-L820 PolarHBondContact O-N 2.8Å; K816-L820 VanDerWaalsContact O-N 3.08Å
817	Q	81.9	Confident	81.2	Confident	39 Å²	39	76 Å²	76	18%	0.182	39%	0.388	C	S	.	.	H	α-helix	trans	-60	-46.5	170.7	-64.2	179.7	10.8	0	0	111.3	F809 S810 L812 P813 R814 N819 L820 K821	F809-Q817 HydrophobicContact CD1-CG 4.34Å; F809-Q817 HydrophobicContact CE1-CB 4Å; F809-Q817 HydrophobicContact CE1-CG 3.98Å; F809-Q817 HydrophobicContact CE2-CB 4.19Å; F809-Q817 HydrophobicContact CE2-CG 4.36Å; F809-Q817 HydrophobicContact CZ-CB 3.64Å; F809-Q817 HydrophobicContact CZ-CG 3.99Å; F809-Q817 PolarHBondContact O-NE2 3.28Å; F809-Q817 VanDerWaalsContact O-NE2 3.16Å; S810-Q817 PolarHBondContact O-NE2 3.17Å; L812-Q817 HydrophobicContact CB-CG 3.93Å; L812-Q817 PolarHBondContact O-NE2 3.31Å; P813-Q817 PolarHBondContact O-N 3.42Å; P813-Q817 VanDerWaalsContact O-N 3.14Å; R814-Q817 PolarHBondContact O-N 3.4Å; Q817-N819 PolarHBondContact O-N 3.48Å; Q817-L820 PolarHBondContact O-N 3.06Å; Q817-K821 WeakPolarHBondContact O-CG 3.27Å; Q817-K821 PolarHBondContact O-N 3.11Å
818	Q	83.1	Confident	81.2	Confident	98 Å²	98	76.2 Å²	76.2	46%	0.458	38%	0.378	S	S	.	.	H	α-helix	trans	-63.1	-40.3	178.2	-73.4	179	-5.3	0	0	112.8	R814 K821 K822	R814-Q818 WeakPolarHBondContact O-CG 3.1Å; R814-Q818 PolarHBondContact O-N 2.92Å; Q818-K821 PolarHBondContact O-N 3.25Å; Q818-K822 WeakPolarHBondContact O-CG 3.34Å; Q818-K822 PolarHBondContact O-N 2.69Å
819	N	82.7	Confident	81.4	Confident	86 Å²	86	77.9 Å²	77.9	46%	0.46	38%	0.379	S	S	.	.	H	α-helix	trans	-64.6	-42	176.4	-77.3	-9.4	0	0	0	112.1	W815 K816 Q817 K822 E823	W815-N819 PolarHBondContact O-N 3.03Å; W815-N819 VanDerWaalsContact O-N 3.14Å; K816-N819 PolarHBondContact O-N 3.23Å; Q817-N819 PolarHBondContact O-N 3.48Å; N819-K822 PolarHBondContact O-N 3.43Å; N819-E823 PolarHBondContact O-N 2.84Å
820	L	83.6	Confident	81.1	Confident	32 Å²	32	81.8 Å²	81.8	17%	0.168	40%	0.398	C	S	.	.	H	α-helix	trans	-64.8	-39.9	175.6	-73	169.3	0	0	0	111.9	F802 M804 F809 L812 K816 Q817 K822 E823 K824	F802-L820 HydrophobicContact CD1-CB 4.21Å; F802-L820 HydrophobicContact CE1-CB 4.16Å; M804-L820 HydrophobicContact CE-CD1 4.26Å; F809-L820 HydrophobicContact CD2-CD1 4.37Å; F809-L820 HydrophobicContact CE2-CB 4.16Å; F809-L820 HydrophobicContact CE2-CD1 4.26Å; L812-L820 HydrophobicContact CD1-CD1 3.71Å; K816-L820 WeakPolarHBondContact O-CG 3.28Å; K816-L820 PolarHBondContact O-N 2.8Å; K816-L820 VanDerWaalsContact O-N 3.08Å; Q817-L820 PolarHBondContact O-N 3.06Å; L820-K822 VanDerWaalsContact C-N 3.34Å; L820-K822 PolarHBondContact O-N 3.39Å; L820-E823 PolarHBondContact O-N 3.01Å; L820-K824 WeakPolarHBondContact O-CB 3.4Å; L820-K824 WeakPolarHBondContact O-CG 3.28Å; L820-K824 PolarHBondContact O-N 3.3Å
821	K	86.1	Confident	81.3	Confident	16 Å²	16	81.8 Å²	81.8	7%	0.07	39%	0.388	C	S	.	.	H	α-helix	trans	-60.9	-42.6	174.3	-74.1	172.8	63.5	159.5	0	112.1	S787 E790 F802 F809 Q817 Q818 K824 G825 L826 F827	S787-K821 PolarHBondContact O-NZ 2.86Å; E790-K821 IonicContact OE1-NZ 3.77Å; E790-K821 PolarHBondContact OE1-NZ 3.29Å; E790-K821 WeakPolarHBondContact OE2-CE 3.46Å; E790-K821 IonicContact OE2-NZ 2.78Å; E790-K821 PolarHBondContact OE2-NZ 2.88Å; F802-K821 HydrophobicContact CE1-CG 4.4Å; F802-K821 HydrophobicContact CZ-CG 4.25Å; F809-K821 HydrophobicContact CZ-CD 4.15Å; F809-K821 HydrophobicContact CZ-CG 3.99Å; Q817-K821 WeakPolarHBondContact O-CG 3.27Å; Q817-K821 PolarHBondContact O-N 3.11Å; Q818-K821 PolarHBondContact O-N 3.25Å; K821-K824 PolarHBondContact O-N 2.81Å; K821-G825 PolarHBondContact O-N 3.17Å; K821-G825 VanDerWaalsContact O-N 3.12Å; K821-L826 VanDerWaalsContact CE-O 3.28Å; K821-L826 WeakPolarHBondContact CE-O 3.15Å; K821-L826 PolarHBondContact O-N 2.99Å; K821-F827 HydrophobicContact CB-CB 4.34Å; K821-F827 PolarHBondContact O-N 3.12Å
822	K	82.6	Confident	81.2	Confident	112 Å²	112	81.8 Å²	81.8	49%	0.487	37%	0.37	S	S	.	.	H	α-helix	trans	-63.1	-43.9	175.6	-74.3	176.2	-179	-179.9	0	111.9	Q818 N819 L820 K824 G825 F827	Q818-K822 WeakPolarHBondContact O-CG 3.34Å; Q818-K822 PolarHBondContact O-N 2.69Å; N819-K822 PolarHBondContact O-N 3.43Å; L820-K822 VanDerWaalsContact C-N 3.34Å; L820-K822 PolarHBondContact O-N 3.39Å; K822-K824 VanDerWaalsContact C-N 3.29Å; K822-K824 PolarHBondContact O-N 2.66Å; K822-G825 PolarHBondContact O-N 3.01Å; K822-F827 HydrophobicContact CB-CB 4.27Å; K822-F827 HydrophobicContact CD-CD1 4.36Å; K822-F827 HydrophobicContact CD-CD2 4.29Å; K822-F827 HydrophobicContact CD-CE2 4.47Å; K822-F827 HydrophobicContact CD-CG 4.25Å; K822-F827 VanDerWaalsContact CE-CE1 3.43Å; K822-F827 VanDerWaalsContact CE-CE2 3.44Å; K822-F827 HydrophobicContact CG-CB 3.55Å; K822-F827 HydrophobicContact CG-CD1 3.78Å; K822-F827 HydrophobicContact CG-CD2 3.61Å; K822-F827 HydrophobicContact CG-CE1 4.4Å; K822-F827 HydrophobicContact CG-CE2 4.26Å; K822-F827 HydrophobicContact CG-CG 3.35Å
823	E	84.2	Confident	81.2	Confident	137 Å²	137	84.6 Å²	84.6	64%	0.64	38%	0.381	S	S	*	.	H	α-helix	trans	-64.6	-34	179.3	-165.6	-170.6	146.3	0	0	112.5	N819 L820	N819-E823 PolarHBondContact O-N 2.84Å; L820-E823 PolarHBondContact O-N 3.01Å
824	K	83.1	Confident	81.4	Confident	80 Å²	80	85.7 Å²	85.7	35%	0.348	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	7	-178.5	-57.9	-55.4	-178.7	-170.2	0	114.5	A801 F802 L820 K821 K822 L826	A801-K824 WeakPolarHBondContact O-CD 3.35Å; A801-K824 VanDerWaalsContact O-CE 3.23Å; A801-K824 WeakPolarHBondContact O-CE 3.43Å; F802-K824 HydrophobicContact CD1-CG 4.15Å; F802-K824 HydrophobicContact CE1-CB 4.24Å; F802-K824 HydrophobicContact CE1-CG 4.06Å; L820-K824 WeakPolarHBondContact O-CB 3.4Å; L820-K824 WeakPolarHBondContact O-CG 3.28Å; L820-K824 PolarHBondContact O-N 3.3Å; K821-K824 PolarHBondContact O-N 2.81Å; K822-K824 VanDerWaalsContact C-N 3.29Å; K822-K824 PolarHBondContact O-N 2.66Å; K824-L826 VanDerWaalsContact C-N 3.28Å; K824-L826 PolarHBondContact O-N 3.26Å
825	G	79	Confident	81.6	Confident	9 Å²	9	76.5 Å²	76.5	9%	0.093	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.2	19.3	177.3	0	0	0	0	0	114.8	N774 K821 K822	N774-G825 PolarHBondContact N-O 3.12Å; N774-G825 WeakPolarHBondContact OD1-CA 3.36Å; K821-G825 PolarHBondContact O-N 3.17Å; K821-G825 VanDerWaalsContact O-N 3.12Å; K822-G825 PolarHBondContact O-N 3.01Å
826	L	81.4	Confident	82	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	32%	0.323	C	S	.	.			trans	-109.1	19.6	-179.8	-68.3	167.9	0	0	0	112	L769 L772 V773 K789 L793 F802 K821 K824	L769-L826 HydrophobicContact CD1-CD1 4.28Å; L772-L826 HydrophobicContact CB-CD2 3.8Å; V773-L826 HydrophobicContact CG2-CD1 4.41Å; V773-L826 HydrophobicContact CG2-CD2 3.78Å; V773-L826 HydrophobicContact CG2-CG 3.98Å; K789-L826 HydrophobicContact CB-CD2 4.02Å; L793-L826 HydrophobicContact CD1-CD1 3.9Å; F802-L826 HydrophobicContact CE2-CD1 3.62Å; F802-L826 HydrophobicContact CZ-CD1 3.58Å; K821-L826 VanDerWaalsContact CE-O 3.28Å; K821-L826 WeakPolarHBondContact CE-O 3.15Å; K821-L826 PolarHBondContact O-N 2.99Å; K824-L826 VanDerWaalsContact C-N 3.28Å; K824-L826 PolarHBondContact O-N 3.26Å
827	F	76.9	Confident	82.2	Confident	126 Å²	126	66.8 Å²	66.8	55%	0.553	31%	0.314	S	S	*	.			trans	-87.3	0	174	-171.3	-102.8	0	0	0	112.2	K789 K821 K822	K789-F827 PolarHBondContact NZ-O 2.77Å; K821-F827 HydrophobicContact CB-CB 4.34Å; K821-F827 PolarHBondContact O-N 3.12Å; K822-F827 HydrophobicContact CB-CB 4.27Å; K822-F827 HydrophobicContact CD-CD1 4.36Å; K822-F827 HydrophobicContact CD-CD2 4.29Å; K822-F827 HydrophobicContact CD-CE2 4.47Å; K822-F827 HydrophobicContact CD-CG 4.25Å; K822-F827 VanDerWaalsContact CE-CE1 3.43Å; K822-F827 VanDerWaalsContact CE-CE2 3.44Å; K822-F827 HydrophobicContact CG-CB 3.55Å; K822-F827 HydrophobicContact CG-CD1 3.78Å; K822-F827 HydrophobicContact CG-CD2 3.61Å; K822-F827 HydrophobicContact CG-CE1 4.4Å; K822-F827 HydrophobicContact CG-CE2 4.26Å; K822-F827 HydrophobicContact CG-CG 3.35Å

Retrieved 827 of 827 residues in 4074.7 ms (Link to these results)

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