A0A096MCF0_POEFO Loading...

phosphatidylinositol-3,4,5-trisphosphate 5-phosphatase

AlphaFold DB , UniProt , Accession A0A096MCF0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,083 aa.

						>A0A096MCF0_POEFO|A0A096MCF0
MPSHQPWYHDNITRSKAEDLLSKAARDGSFLIRDSESVQGAYALCVLYQNCVYTYRILPNEDKQLSVQASEGVPIRFFTMLPELVEAYYNPNMGLVTHLQYPVQREEEAEEEQESNSLPPQLPPRNFLADAKESETKTSEQATKSLSDMYLMRLQHMDLSALSEEHQMAVQEYFRTSICLDAEQVQNGNPNLPGLKKLITAVCKNLNCEISRVLPALEIFHRALDQQLSPGIGPKQILVDSGQSISYRLEQLTKLLYSIEDKAKSSVFEAVGYDGGHRKSLIPIVSFEVKQESLGISTKMVLKVDVESGKLFFKKSKDGPEDKYFVHNKILQLVKSQKMHAKLIIVVETEKEKILRKEFVFDDTKKREGFCQLLQQMKNKHSEKPEPDMITVFVGTWNMGNAGPPPNIDSWFHCKGLGKTRDDTADHIPHDVYVIGTQEDPLGEREWSDTVKNALRKITNISFKQVAIHTLWNIRIIVLAKPEHENRISHVFSDSVKTGIANTLGNKGAVGVSFMFNGTSFGFVNSHLTSGSEKKLRRNQNYVSILRFLNLGDKKLNPFDITHRFTHLIWLGDLNYRVDLPSSDAENIVTKIKQQQYQDLLSRDQLGIERNDGKVFLHFEEEEITFPPTYRFERDTRDKYAYTKAKATGTKYNLPSWCDRVLRKSYPLVHVVCQAYGCTNDIMTSDHSPVFASFEVGVASQFVSKQDPNSAPQGGIQIMNCVAILLTKSKTRFFIEFHSSCLEKTVKTSEGDNTEQSDGSIKVWFGNKVELTPIISDPDYLLEQHILICVKSTDCDESYGEGCVALRAAQFCYREFQITLTHQGEKTGTLTGGIQLRTSEFKPTEKLYDFIKIERDDAAPSKGKDKSVVTPAHDISNPNYMGFSFKSGNVSDRGWSYSMTPRNVSGGVQGGKECKKPGYDVGVRSPTTINYTTNEDEKLSEMLDNPLYGSMAKSHNQAKDQGHPQLDRLTPTIDGDPNRPPLLVPRNRSFTSSENRSQPQTPVGLHPPGHKKPVVPSRSEGGMASHRPPLPTKSRPEPQTPKPRDYRDTSEFPSKQRAPTRPGPLPPQKDMHSEHPKTGRPVN
					

Structure Viewer

Loading PAE data...

(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	26.5	Very low	69.7	Low	229 Å²	229	86.4 Å²	86.4	100%	1.128	46%	0.463	S	S	*	.				0	122.6	0	-54.2	-41.9	-165.3	0	0	109
2	P	36.4	Very low	71.5	Confident	127 Å²	127	82 Å²	82	83%	0.825	44%	0.439	S	S	*	.			trans	-64.7	153.9	158.6	-12.4	29	0	0	0	109.6	H4	P2-H4 PolarHBondContact O-N 2.88Å
3	S	43	Very low	72.7	Confident	85 Å²	85	81.3 Å²	81.3	59%	0.594	44%	0.44	S	S	*	.			trans	-64.9	129.7	176.1	57.4	0	0	0	0	111.3	Q5	S3-Q5 PolarHBondContact O-N 3.33Å; S3-Q5 VanDerWaalsContact O-N 3.13Å; S3-Q5 PolarHBondContact OG-NE2 2.88Å; S3-Q5 VanDerWaalsContact OG-NE2 3.11Å
4	H	58.4	Low	73.6	Confident	138 Å²	138	84.4 Å²	84.4	64%	0.639	44%	0.442	S	S	*	.			trans	-64.8	112	168.8	-137	-104.3	0	0	0	108.9	P2	P2-H4 PolarHBondContact O-N 2.88Å
5	Q	77.3	Confident	74.5	Confident	59 Å²	59	83.5 Å²	83.5	28%	0.276	45%	0.446	S	S	.	.			trans	-87.2	116.3	-178.4	-73.6	-66.6	-25.8	0	0	109.1	S3 W7 Y8	S3-Q5 PolarHBondContact O-N 3.33Å; S3-Q5 VanDerWaalsContact O-N 3.13Å; S3-Q5 PolarHBondContact OG-NE2 2.88Å; S3-Q5 VanDerWaalsContact OG-NE2 3.11Å; Q5-W7 HydrophobicContact CB-CD2 4.24Å; Q5-W7 HydrophobicContact CB-CH2 4.13Å; Q5-W7 HydrophobicContact CB-CZ2 3.69Å; Q5-W7 HydrophobicContact CG-CH2 4.19Å; Q5-W7 HydrophobicContact CG-CZ2 3.67Å; Q5-W7 PolarHBondContact O-N 3.2Å; Q5-W7 VanDerWaalsContact O-N 3.1Å; Q5-Y8 PolarHBondContact O-N 2.9Å
6	P	77.1	Confident	75.4	Confident	56 Å²	56	83.2 Å²	83.2	36%	0.364	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-18.5	-166.3	26.1	-35.4	0	0	0	114.1	Q104 R105	P6-Q104 HydrophobicContact CB-CG 4.38Å; P6-Q104 WeakPolarHBondContact O-CA 3.41Å; P6-R105 PolarHBondContact O-N 2.66Å
7	W	89.9	Confident	76.2	Confident	14 Å²	14	78.3 Å²	78.3	5%	0.053	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-1.4	175.7	46.6	-96.1	0	0	0	113.7	Q5 H9 F30 L31 I32 L81 P82 V85 P102	Q5-W7 HydrophobicContact CB-CD2 4.24Å; Q5-W7 HydrophobicContact CB-CH2 4.13Å; Q5-W7 HydrophobicContact CB-CZ2 3.69Å; Q5-W7 HydrophobicContact CG-CH2 4.19Å; Q5-W7 HydrophobicContact CG-CZ2 3.67Å; Q5-W7 PolarHBondContact O-N 3.2Å; Q5-W7 VanDerWaalsContact O-N 3.1Å; W7-H9 PolarHBondContact O-CD2 2.95Å; W7-F30 HydrophobicContact CB-CD2 4.36Å; W7-F30 HydrophobicContact CB-CE2 3.68Å; W7-F30 HydrophobicContact CB-CZ 4.12Å; W7-F30 AromaticContact CG-CE2 3.94Å; W7-F30 HydrophobicContact CG-CE2 3.94Å; W7-F30 HydrophobicContact CG-CZ 4.29Å; W7-L31 CarbonylContact O-C 3.56Å; W7-L31 WeakPolarHBondContact O-CA 3.43Å; W7-I32 HydrophobicContact CE3-CB 4Å; W7-I32 HydrophobicContact CE3-CD1 3.94Å; W7-I32 HydrophobicContact CE3-CG1 4.06Å; W7-I32 HydrophobicContact CZ3-CB 4.18Å; W7-I32 HydrophobicContact CZ3-CD1 3.81Å; W7-I32 HydrophobicContact CZ3-CG1 4.32Å; W7-I32 PolarHBondContact O-N 2.8Å; W7-L81 HydrophobicContact CH2-CB 3.76Å; W7-L81 HydrophobicContact CZ3-CB 4.13Å; W7-P82 HydrophobicContact CH2-CG 4.29Å; W7-P82 HydrophobicContact CZ2-CB 4.34Å; W7-P82 HydrophobicContact CZ2-CG 4.14Å; W7-V85 HydrophobicContact CD2-CG1 4.49Å; W7-V85 HydrophobicContact CD2-CG2 4.12Å; W7-V85 HydrophobicContact CE3-CG2 4.02Å; W7-V85 HydrophobicContact CH2-CG2 3.96Å; W7-V85 HydrophobicContact CZ2-CB 4.33Å; W7-V85 HydrophobicContact CZ2-CG2 4.03Å; W7-V85 HydrophobicContact CZ3-CG2 3.95Å; W7-P102 HydrophobicContact CB-CB 3.76Å; W7-P102 HydrophobicContact CG-CB 4.42Å
8	Y	92.5	Very high	76.9	Confident	49 Å²	49	76.9 Å²	76.9	19%	0.192	41%	0.405	C	S	.	.	B	Isolated β-bridge	trans	-103.8	123.9	-179.2	-169.8	-100.7	0	0	0	111	Q5 D10 I32 D34 Y42 L81	Q5-Y8 PolarHBondContact O-N 2.9Å; Y8-D10 WeakPolarHBondContact CD1-OD1 3.47Å; Y8-D10 WeakPolarHBondContact CE1-OD1 3.47Å; Y8-I32 WeakPolarHBondContact CA-O 2.8Å; Y8-I32 HydrophobicContact CD2-CB 4.26Å; Y8-I32 HydrophobicContact CD2-CG2 4.02Å; Y8-I32 HydrophobicContact CE2-CG2 4.18Å; Y8-D34 PolarHBondContact OH-OD1 2.87Å; Y8-D34 VanDerWaalsContact OH-OD1 3.1Å; Y8-Y42 AromaticContact CE2-CD1 3.98Å; Y8-Y42 HydrophobicContact CE2-CD1 3.98Å; Y8-Y42 HydrophobicContact CE2-CE1 4.06Å; Y8-Y42 VanDerWaalsContact OH-CE1 3.28Å; Y8-Y42 WeakPolarHBondContact OH-CE1 3.49Å; Y8-L81 HydrophobicContact CD2-CD1 3.98Å; Y8-L81 HydrophobicContact CE2-CD1 3.66Å
9	H	91	Very high	77.6	Confident	7 Å²	7	77.7 Å²	77.7	3%	0.032	41%	0.409	C	S	.	.			trans	-119.7	21.9	-168.7	-70.5	-122.1	0	0	0	113.4	W7 N11 I12 I32 V103 Q104 R105	W7-H9 PolarHBondContact O-CD2 2.95Å; H9-N11 PolarHBondContact O-N 2.88Å; H9-I12 HydrophobicContact CB-CD1 3.49Å; H9-I12 VanDerWaalsContact CB-CD1 3.49Å; H9-I12 HydrophobicContact CB-CG1 3.69Å; H9-I12 HydrophobicContact CB-CG2 4.37Å; H9-I12 WeakPolarHBondContact O-CG2 3.46Å; H9-I12 PolarHBondContact O-N 2.79Å; H9-I32 PolarHBondContact N-O 3.26Å; H9-V103 PolarHBondContact NE2-O 2.93Å; H9-Q104 PolarHBondContact CE1-O 2.82Å; H9-R105 VanDerWaalsContact CE1-CA 3.47Å; H9-R105 WeakPolarHBondContact CE1-CA 3.47Å; H9-R105 PolarHBondContact CE1-N 2.59Å
10	D	87.8	Confident	78.3	Confident	53 Å²	53	74.3 Å²	74.3	28%	0.283	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.6	-130.8	-177.8	-50.3	-32	0	0	0	112	Y8 I12 R33 D34 R105	Y8-D10 WeakPolarHBondContact CD1-OD1 3.47Å; Y8-D10 WeakPolarHBondContact CE1-OD1 3.47Å; D10-I12 PolarHBondContact O-N 3.45Å; D10-R33 CarbonylContact O-C 3.59Å; D10-R33 VanDerWaalsContact O-CA 3.26Å; D10-R33 WeakPolarHBondContact O-CA 3.44Å; D10-R33 WeakPolarHBondContact O-CB 3.27Å; D10-D34 VanDerWaalsContact C-OD2 3.22Å; D10-D34 PolarHBondContact O-N 2.86Å; D10-R105 IonicContact OD1-NH1 2.74Å; D10-R105 IonicContact OD2-CZ 2.7Å; D10-R105 IonicContact OD2-NH1 3.71Å; D10-R105 PolarHBondContact OD2-NH1 3.39Å; D10-R105 IonicContact OD2-NH2 2.79Å; D10-R105 PolarHBondContact OD2-NH2 3.1Å
11	N	86.9	Confident	78.9	Confident	133 Å²	133	70.8 Å²	70.8	71%	0.711	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	27.3	-171.1	67.3	-15.5	0	0	0	115.3	H9 D34	H9-N11 PolarHBondContact O-N 2.88Å; N11-D34 PolarHBondContact N-OD2 2.85Å
12	I	90.8	Very high	81.7	Confident	34 Å²	34	63.1 Å²	63.1	17%	0.174	34%	0.341	C	S	.	.			trans	-57.9	146.2	173.8	59.2	163.6	0	0	0	111.9	H9 D10 K16 A17 L20 L31 R33	H9-I12 HydrophobicContact CB-CD1 3.49Å; H9-I12 VanDerWaalsContact CB-CD1 3.49Å; H9-I12 HydrophobicContact CB-CG1 3.69Å; H9-I12 HydrophobicContact CB-CG2 4.37Å; H9-I12 WeakPolarHBondContact O-CG2 3.46Å; H9-I12 PolarHBondContact O-N 2.79Å; D10-I12 PolarHBondContact O-N 3.45Å; I12-K16 HydrophobicContact CB-CB 4.36Å; I12-K16 HydrophobicContact CB-CG 4.09Å; I12-K16 HydrophobicContact CD1-CG 4.48Å; I12-K16 HydrophobicContact CG2-CG 4.14Å; I12-A17 HydrophobicContact CD1-CB 3.91Å; I12-L20 HydrophobicContact CD1-CD1 3.97Å; I12-L31 HydrophobicContact CD1-CD1 4.08Å; I12-L31 HydrophobicContact CD1-CD2 4.24Å; I12-R33 HydrophobicContact CG1-CB 3.87Å; I12-R33 WeakPolarHBondContact O-CD 3.34Å
13	T	87.6	Confident	84.1	Confident	73 Å²	73	63.8 Å²	63.8	45%	0.448	33%	0.331	S	S	.	.			trans	-71.2	160.3	179.8	66.9	0	0	0	0	112.1	S15 K16 A17 E36	T13-S15 VanDerWaalsContact C-N 3.25Å; T13-S15 PolarHBondContact O-N 2.91Å; T13-K16 PolarHBondContact O-N 2.75Å; T13-K16 VanDerWaalsContact O-N 3.16Å; T13-K16 PolarHBondContact OG1-N 3.01Å; T13-A17 PolarHBondContact O-N 2.93Å; T13-E36 WeakPolarHBondContact CA-OE1 3.49Å
14	R	85.8	Confident	86	Confident	124 Å²	124	61.7 Å²	61.7	47%	0.468	32%	0.319	S	S	.	.	H	α-helix	trans	-49.7	-46.5	171.4	-174.6	177.9	169.8	172.5	-1.5	112.1	A17 E18 E36	R14-A17 WeakPolarHBondContact O-CB 3.43Å; R14-A17 PolarHBondContact O-N 3.32Å; R14-E18 HydrophobicContact CG-CG 4.43Å; R14-E18 IonicContact CZ-OE1 3.32Å; R14-E18 VanDerWaalsContact CZ-OE1 3.23Å; R14-E18 IonicContact NE-OE1 2.77Å; R14-E18 PolarHBondContact NE-OE1 2.78Å; R14-E18 IonicContact NE-OE2 2.98Å; R14-E18 IonicContact NH2-OE1 3.18Å; R14-E18 PolarHBondContact NH2-OE1 2.78Å; R14-E18 WeakPolarHBondContact O-CB 3.23Å; R14-E18 WeakPolarHBondContact O-CG 3.43Å; R14-E18 PolarHBondContact O-N 2.85Å; R14-E36 PolarHBondContact N-OE1 2.61Å
15	S	85.9	Confident	87.3	Confident	72 Å²	72	58.6 Å²	58.6	50%	0.503	32%	0.317	S	S	.	.	H	α-helix	trans	-64.2	-42.4	-179.2	-166.1	0	0	0	0	112.2	T13 A17 E18 D19	T13-S15 VanDerWaalsContact C-N 3.25Å; T13-S15 PolarHBondContact O-N 2.91Å; S15-A17 VanDerWaalsContact C-N 3.32Å; S15-A17 PolarHBondContact O-N 3.38Å; S15-E18 PolarHBondContact O-N 3.22Å; S15-D19 WeakPolarHBondContact O-CB 3.48Å; S15-D19 PolarHBondContact O-N 3.29Å
16	K	89.1	Confident	87.9	Confident	78 Å²	78	62.2 Å²	62.2	34%	0.339	33%	0.329	S	S	.	.	H	α-helix	trans	-65.7	-36.4	176.9	176.6	66.4	178	-175.6	0	111.3	I12 T13 L20 E106	I12-K16 HydrophobicContact CB-CB 4.36Å; I12-K16 HydrophobicContact CB-CG 4.09Å; I12-K16 HydrophobicContact CD1-CG 4.48Å; I12-K16 HydrophobicContact CG2-CG 4.14Å; T13-K16 PolarHBondContact O-N 2.75Å; T13-K16 VanDerWaalsContact O-N 3.16Å; T13-K16 PolarHBondContact OG1-N 3.01Å; K16-L20 HydrophobicContact CD-CD1 4.35Å; K16-L20 HydrophobicContact CD-CG 4.37Å; K16-L20 HydrophobicContact CG-CD1 4.2Å; K16-L20 WeakPolarHBondContact O-CB 3.29Å; K16-L20 VanDerWaalsContact O-CG 3.22Å; K16-L20 WeakPolarHBondContact O-CG 3.36Å; K16-L20 PolarHBondContact O-N 3.5Å; K16-E106 IonicContact NZ-OE2 3.59Å; K16-E106 PolarHBondContact NZ-OE2 3.44Å
17	A	88.9	Confident	88.7	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-66.3	-42.7	173.1	0	0	0	0	0	112.5	I12 T13 R14 S15 L20 L21 L31	I12-A17 HydrophobicContact CD1-CB 3.91Å; T13-A17 PolarHBondContact O-N 2.93Å; R14-A17 WeakPolarHBondContact O-CB 3.43Å; R14-A17 PolarHBondContact O-N 3.32Å; S15-A17 VanDerWaalsContact C-N 3.32Å; S15-A17 PolarHBondContact O-N 3.38Å; A17-L20 PolarHBondContact O-N 3.28Å; A17-L21 WeakPolarHBondContact O-CB 3.45Å; A17-L21 WeakPolarHBondContact O-CG 3.08Å; A17-L21 PolarHBondContact O-N 3.01Å; A17-L31 HydrophobicContact CB-CD1 3.95Å; A17-L31 HydrophobicContact CB-CD2 4.38Å
18	E	90.1	Very high	88.7	Confident	54 Å²	54	61.8 Å²	61.8	25%	0.252	33%	0.325	S	S	.	.	H	α-helix	trans	-65.6	-38.9	176.4	-73.8	175.7	168.4	0	0	111.8	R14 S15 S22 V52	R14-E18 HydrophobicContact CG-CG 4.43Å; R14-E18 IonicContact CZ-OE1 3.32Å; R14-E18 VanDerWaalsContact CZ-OE1 3.23Å; R14-E18 IonicContact NE-OE1 2.77Å; R14-E18 PolarHBondContact NE-OE1 2.78Å; R14-E18 IonicContact NE-OE2 2.98Å; R14-E18 IonicContact NH2-OE1 3.18Å; R14-E18 PolarHBondContact NH2-OE1 2.78Å; R14-E18 WeakPolarHBondContact O-CB 3.23Å; R14-E18 WeakPolarHBondContact O-CG 3.43Å; R14-E18 PolarHBondContact O-N 2.85Å; S15-E18 PolarHBondContact O-N 3.22Å; E18-S22 VanDerWaalsContact O-CB 3.23Å; E18-S22 WeakPolarHBondContact O-CB 3.35Å; E18-S22 PolarHBondContact O-N 3.23Å; E18-S22 PolarHBondContact O-OG 2.89Å; E18-V52 HydrophobicContact CG-CB 3.99Å; E18-V52 HydrophobicContact CG-CG1 3.9Å; E18-V52 HydrophobicContact CG-CG2 4.28Å
19	D	90.1	Very high	88.9	Confident	91 Å²	91	59.7 Å²	59.7	49%	0.487	32%	0.317	S	S	.	.	H	α-helix	trans	-62.9	-49.4	171.8	-79.3	-27.4	0	0	0	112.2	S15 L21 S22 K23	S15-D19 WeakPolarHBondContact O-CB 3.48Å; S15-D19 PolarHBondContact O-N 3.29Å; D19-L21 VanDerWaalsContact C-N 3.33Å; D19-L21 PolarHBondContact O-N 3.24Å; D19-S22 PolarHBondContact O-N 2.89Å; D19-K23 WeakPolarHBondContact O-CG 3.46Å; D19-K23 PolarHBondContact O-N 2.82Å
20	L	91.4	Very high	89.2	Confident	10 Å²	10	59.4 Å²	59.4	5%	0.052	32%	0.315	C	S	.	.	H	α-helix	trans	-61	-41.2	-179.9	-76.4	170.1	0	0	0	112	I12 K16 A17 A24 L31 V103 E106	I12-L20 HydrophobicContact CD1-CD1 3.97Å; K16-L20 HydrophobicContact CD-CD1 4.35Å; K16-L20 HydrophobicContact CD-CG 4.37Å; K16-L20 HydrophobicContact CG-CD1 4.2Å; K16-L20 WeakPolarHBondContact O-CB 3.29Å; K16-L20 VanDerWaalsContact O-CG 3.22Å; K16-L20 WeakPolarHBondContact O-CG 3.36Å; K16-L20 PolarHBondContact O-N 3.5Å; A17-L20 PolarHBondContact O-N 3.28Å; L20-A24 PolarHBondContact O-N 2.66Å; L20-L31 HydrophobicContact CB-CD2 4.17Å; L20-L31 HydrophobicContact CD1-CD2 4.26Å; L20-V103 HydrophobicContact CB-CG1 4.3Å; L20-E106 HydrophobicContact CD2-CG 4.25Å
21	L	91.3	Very high	89.6	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-68.8	-40.3	174.3	-74.9	164.4	0	0	0	111.8	A17 D19 K23 A24 A25 S29 L31 C45 L47 V52 V103	A17-L21 WeakPolarHBondContact O-CB 3.45Å; A17-L21 WeakPolarHBondContact O-CG 3.08Å; A17-L21 PolarHBondContact O-N 3.01Å; D19-L21 VanDerWaalsContact C-N 3.33Å; D19-L21 PolarHBondContact O-N 3.24Å; L21-K23 PolarHBondContact O-N 3.4Å; L21-A24 WeakPolarHBondContact O-CB 3.4Å; L21-A24 PolarHBondContact O-N 2.85Å; L21-A24 VanDerWaalsContact O-N 3.09Å; L21-A25 PolarHBondContact O-N 2.98Å; L21-S29 WeakPolarHBondContact CD2-O 3.26Å; L21-L31 HydrophobicContact CD1-CG 4.41Å; L21-L31 HydrophobicContact CG-CD2 4.33Å; L21-C45 HydrophobicContact CD1-CB 3.51Å; L21-L47 HydrophobicContact CB-CB 4.39Å; L21-L47 HydrophobicContact CD2-CB 4.26Å; L21-V52 HydrophobicContact CB-CG2 3.81Å; L21-V52 HydrophobicContact CD1-CG1 3.66Å; L21-V52 HydrophobicContact CD1-CG2 4.08Å; L21-V103 HydrophobicContact CD2-CG2 3.72Å
22	S	84.6	Confident	90	Very high	68 Å²	68	50.5 Å²	50.5	48%	0.476	27%	0.268	S	S	.	.	H	α-helix	trans	-64.4	-37.7	176.7	-60.9	0	0	0	0	112.4	E18 D19 A24 A25	E18-S22 VanDerWaalsContact O-CB 3.23Å; E18-S22 WeakPolarHBondContact O-CB 3.35Å; E18-S22 PolarHBondContact O-N 3.23Å; E18-S22 PolarHBondContact O-OG 2.89Å; D19-S22 PolarHBondContact O-N 2.89Å; S22-A24 VanDerWaalsContact C-N 3.31Å; S22-A24 PolarHBondContact O-N 2.9Å; S22-A25 PolarHBondContact O-N 3.27Å
23	K	86.8	Confident	90.1	Very high	141 Å²	141	49.3 Å²	49.3	61%	0.613	26%	0.261	S	S	*	.	H	α-helix	trans	-60.5	-37.3	169.9	-72.8	-179.6	-174.6	-172.7	0	112.3	D19 L21 A25 E106	D19-K23 WeakPolarHBondContact O-CG 3.46Å; D19-K23 PolarHBondContact O-N 2.82Å; L21-K23 PolarHBondContact O-N 3.4Å; K23-A25 VanDerWaalsContact C-N 3.32Å; K23-E106 IonicContact NZ-OE1 3.8Å; K23-E106 PolarHBondContact NZ-OE1 3.06Å
24	A	83.5	Confident	90.4	Very high	41 Å²	41	48.2 Å²	48.2	34%	0.339	25%	0.253	S	S	.	.	H	α-helix	trans	-71.5	-25	-179.1	0	0	0	0	0	113.3	L20 L21 S22 R26 V103	L20-A24 PolarHBondContact O-N 2.66Å; L21-A24 WeakPolarHBondContact O-CB 3.4Å; L21-A24 PolarHBondContact O-N 2.85Å; L21-A24 VanDerWaalsContact O-N 3.09Å; S22-A24 VanDerWaalsContact C-N 3.31Å; S22-A24 PolarHBondContact O-N 2.9Å; A24-R26 WeakPolarHBondContact O-CB 3.4Å; A24-R26 PolarHBondContact O-N 3.43Å; A24-V103 HydrophobicContact CB-CG2 3.97Å
25	A	84.1	Confident	90.4	Very high	73 Å²	73	43.3 Å²	43.3	60%	0.603	24%	0.237	S	C	*	.			trans	50.8	31.9	165.2	0	0	0	0	0	116.1	L21 S22 K23	L21-A25 PolarHBondContact O-N 2.98Å; S22-A25 PolarHBondContact O-N 3.27Å; K23-A25 VanDerWaalsContact C-N 3.32Å
26	R	91.8	Very high	90.1	Very high	135 Å²	135	45.3 Å²	45.3	51%	0.509	24%	0.239	S	C	.	.	S	Bend	trans	-142.4	125.8	-174	-173.4	175.4	-178.8	170	-3.6	112.3	A24 G28 S29 Y101	A24-R26 WeakPolarHBondContact O-CB 3.4Å; A24-R26 PolarHBondContact O-N 3.43Å; R26-G28 PolarHBondContact O-N 2.93Å; R26-S29 WeakPolarHBondContact O-CB 3.35Å; R26-S29 PolarHBondContact O-N 2.86Å; R26-S29 PolarHBondContact O-OG 3.28Å; R26-S29 VanDerWaalsContact O-OG 3.05Å; R26-Y101 HydrophobicContact CG-CD2 3.77Å; R26-Y101 HydrophobicContact CG-CE2 3.77Å; R26-Y101 PolarHBondContact NH2-OH 3.01Å
27	D	93.3	Very high	89.5	Confident	62 Å²	62	45 Å²	45	33%	0.332	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	134.7	177	-78.1	1.8	0	0	0	111.9	S29 Y48 Q49 Y101	D27-S29 VanDerWaalsContact C-N 3.31Å; D27-Y48 HydrophobicContact CB-CD2 3.97Å; D27-Y48 HydrophobicContact CB-CE2 4.45Å; D27-Y48 WeakPolarHBondContact OD1-CA 3.39Å; D27-Y48 WeakPolarHBondContact OD2-CD2 3.17Å; D27-Y48 WeakPolarHBondContact OD2-CE2 3.46Å; D27-Q49 PolarHBondContact OD1-N 3.1Å; D27-Y101 VanDerWaalsContact O-CE2 3.26Å; D27-Y101 WeakPolarHBondContact O-CE2 3.49Å
28	G	90.4	Very high	89	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.4	3.3	-174.4	0	0	0	0	0	114.4	R26 L47 Q100 Y101	R26-G28 PolarHBondContact O-N 2.93Å; G28-L47 PolarHBondContact N-O 2.95Å; G28-Q100 PolarHBondContact O-N 3.04Å; G28-Y101 PolarHBondContact O-N 3.37Å
29	S	96.1	Very high	88.4	Confident	5 Å²	5	54.8 Å²	54.8	4%	0.035	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	137.1	163.2	-74.5	0	0	0	0	110.7	L21 R26 D27 V46 L47 Y101	L21-S29 WeakPolarHBondContact CD2-O 3.26Å; R26-S29 WeakPolarHBondContact O-CB 3.35Å; R26-S29 PolarHBondContact O-N 2.86Å; R26-S29 PolarHBondContact O-OG 3.28Å; R26-S29 VanDerWaalsContact O-OG 3.05Å; D27-S29 VanDerWaalsContact C-N 3.31Å; S29-V46 CarbonylContact O-C 3.58Å; S29-V46 WeakPolarHBondContact O-CA 3.48Å; S29-L47 PolarHBondContact O-N 2.8Å; S29-Y101 CarbonylContact C-O 3.56Å; S29-Y101 VanDerWaalsContact CA-O 3.24Å; S29-Y101 WeakPolarHBondContact CA-O 3.49Å
30	F	96.5	Very high	87.9	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	159.1	-177	77.4	-81	0	0	0	114.1	W7 L44 C45 V46 V85 Y89 L99 Y101 P102 V103	W7-F30 HydrophobicContact CB-CD2 4.36Å; W7-F30 HydrophobicContact CB-CE2 3.68Å; W7-F30 HydrophobicContact CB-CZ 4.12Å; W7-F30 AromaticContact CG-CE2 3.94Å; W7-F30 HydrophobicContact CG-CE2 3.94Å; W7-F30 HydrophobicContact CG-CZ 4.29Å; F30-L44 HydrophobicContact CB-CD1 4.4Å; F30-L44 HydrophobicContact CD2-CD1 4Å; F30-C45 CarbonylContact C-O 3.53Å; F30-C45 WeakPolarHBondContact CA-O 3.13Å; F30-C45 WeakPolarHBondContact CB-O 3.38Å; F30-V46 HydrophobicContact CB-CG2 4.15Å; F30-V85 HydrophobicContact CE2-CG1 3.87Å; F30-V85 HydrophobicContact CE2-CG2 4.46Å; F30-V85 HydrophobicContact CZ-CG1 3.87Å; F30-Y89 HydrophobicContact CE1-CE1 4.16Å; F30-Y89 AromaticContact CZ-CZ 3.97Å; F30-L99 HydrophobicContact CB-CD2 3.77Å; F30-L99 HydrophobicContact CD1-CB 3.75Å; F30-L99 HydrophobicContact CD1-CD2 4.16Å; F30-L99 HydrophobicContact CD1-CG 4.36Å; F30-L99 HydrophobicContact CD2-CD1 3.99Å; F30-L99 HydrophobicContact CD2-CD2 4.08Å; F30-L99 HydrophobicContact CD2-CG 4.42Å; F30-L99 HydrophobicContact CE1-CB 3.76Å; F30-L99 HydrophobicContact CE2-CD1 3.92Å; F30-L99 HydrophobicContact CG-CB 4.18Å; F30-L99 HydrophobicContact CG-CD1 4.34Å; F30-L99 HydrophobicContact CG-CD2 3.74Å; F30-L99 HydrophobicContact CG-CG 4.28Å; F30-L99 HydrophobicContact CZ-CB 4.19Å; F30-L99 HydrophobicContact CZ-CD1 4.2Å; F30-Y101 WeakPolarHBondContact CD1-O 3.31Å; F30-Y101 PolarHBondContact N-O 3.28Å; F30-P102 HydrophobicContact CE1-CB 3.92Å; F30-P102 HydrophobicContact CZ-CB 3.88Å; F30-V103 PolarHBondContact O-N 3.39Å
31	L	96.2	Very high	87.8	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	163	164.8	64.1	81.8	0	0	0	111	W7 I12 A17 L20 L21 R33 C45 V103	W7-L31 CarbonylContact O-C 3.56Å; W7-L31 WeakPolarHBondContact O-CA 3.43Å; I12-L31 HydrophobicContact CD1-CD1 4.08Å; I12-L31 HydrophobicContact CD1-CD2 4.24Å; A17-L31 HydrophobicContact CB-CD1 3.95Å; A17-L31 HydrophobicContact CB-CD2 4.38Å; L20-L31 HydrophobicContact CB-CD2 4.17Å; L20-L31 HydrophobicContact CD1-CD2 4.26Å; L21-L31 HydrophobicContact CD1-CG 4.41Å; L21-L31 HydrophobicContact CG-CD2 4.33Å; L31-R33 HydrophobicContact CD1-CB 4.42Å; L31-C45 HydrophobicContact CD1-CB 4.23Å; L31-C45 HydrophobicContact CG-CB 4.48Å; L31-C45 PolarHBondContact N-O 3.43Å; L31-C45 PolarHBondContact O-N 3.22Å; L31-V103 HydrophobicContact CB-CB 4.48Å; L31-V103 HydrophobicContact CD2-CB 4.43Å
32	I	95.3	Very high	87.9	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	140.1	170.8	-60.9	-176.4	0	0	0	108.8	W7 Y8 H9 Y42 A43 L44 I57 L81 V85	W7-I32 HydrophobicContact CE3-CB 4Å; W7-I32 HydrophobicContact CE3-CD1 3.94Å; W7-I32 HydrophobicContact CE3-CG1 4.06Å; W7-I32 HydrophobicContact CZ3-CB 4.18Å; W7-I32 HydrophobicContact CZ3-CD1 3.81Å; W7-I32 HydrophobicContact CZ3-CG1 4.32Å; W7-I32 PolarHBondContact O-N 2.8Å; Y8-I32 WeakPolarHBondContact CA-O 2.8Å; Y8-I32 HydrophobicContact CD2-CB 4.26Å; Y8-I32 HydrophobicContact CD2-CG2 4.02Å; Y8-I32 HydrophobicContact CE2-CG2 4.18Å; H9-I32 PolarHBondContact N-O 3.26Å; I32-Y42 HydrophobicContact CG2-CG 4.49Å; I32-A43 WeakPolarHBondContact CA-O 3.39Å; I32-L44 HydrophobicContact CD1-CD1 4.15Å; I32-L44 HydrophobicContact CG1-CB 4.2Å; I32-L44 HydrophobicContact CG1-CD1 3.69Å; I32-I57 HydrophobicContact CD1-CD1 3.89Å; I32-I57 HydrophobicContact CG2-CD1 4.36Å; I32-L81 HydrophobicContact CD1-CD2 4.23Å; I32-L81 HydrophobicContact CG2-CD1 4.42Å; I32-L81 HydrophobicContact CG2-CD2 4.38Å; I32-V85 HydrophobicContact CD1-CG2 3.46Å; I32-V85 VanDerWaalsContact CD1-CG2 3.46Å
33	R	94.1	Very high	88.3	Confident	9 Å²	9	51.8 Å²	51.8	3%	0.034	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	166.1	176.3	62	177.3	-172.4	95.7	-15.5	110.4	D10 I12 L31 E36 Y42 A43	D10-R33 CarbonylContact O-C 3.59Å; D10-R33 VanDerWaalsContact O-CA 3.26Å; D10-R33 WeakPolarHBondContact O-CA 3.44Å; D10-R33 WeakPolarHBondContact O-CB 3.27Å; I12-R33 HydrophobicContact CG1-CB 3.87Å; I12-R33 WeakPolarHBondContact O-CD 3.34Å; L31-R33 HydrophobicContact CD1-CB 4.42Å; R33-E36 IonicContact CZ-OE2 3.13Å; R33-E36 VanDerWaalsContact NH1-CD 3.26Å; R33-E36 IonicContact NH1-OE2 3.23Å; R33-E36 PolarHBondContact NH1-OE2 3.06Å; R33-E36 IonicContact NH2-OE2 2.73Å; R33-E36 PolarHBondContact NH2-OE2 3.16Å; R33-Y42 CarbonylContact O-C 3.47Å; R33-Y42 VanDerWaalsContact O-CA 3.32Å; R33-Y42 WeakPolarHBondContact O-CA 3.05Å; R33-Y42 WeakPolarHBondContact O-CB 3.12Å; R33-A43 HydrophobicContact CG-CB 3.97Å; R33-A43 PolarHBondContact N-O 3.48Å; R33-A43 PolarHBondContact O-N 2.89Å
34	D	92.4	Very high	88.7	Confident	50 Å²	50	45.1 Å²	45.1	27%	0.267	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	149.2	166.7	-66.9	-55.3	0	0	0	111.5	Y8 D10 N11 Y42	Y8-D34 PolarHBondContact OH-OD1 2.87Å; Y8-D34 VanDerWaalsContact OH-OD1 3.1Å; D10-D34 VanDerWaalsContact C-OD2 3.22Å; D10-D34 PolarHBondContact O-N 2.86Å; N11-D34 PolarHBondContact N-OD2 2.85Å; D34-Y42 WeakPolarHBondContact OD1-CD1 3.46Å; D34-Y42 VanDerWaalsContact OD1-CE1 3.27Å; D34-Y42 WeakPolarHBondContact OD1-CE1 3.27Å
35	S	85.8	Confident	89.3	Confident	20 Å²	20	43.2 Å²	43.2	14%	0.14	24%	0.238	C	C	.	.			trans	-79.5	121.1	175.6	-179.8	0	0	0	0	111.1	S37 V38 A41	S35-S37 PolarHBondContact O-N 3.5Å; S35-S37 VanDerWaalsContact O-N 3.12Å; S35-S37 PolarHBondContact OG-N 2.88Å; S35-S37 PolarHBondContact OG-OG 3.46Å; S35-V38 WeakPolarHBondContact CB-O 3.47Å; S35-V38 PolarHBondContact OG-N 3.31Å; S35-A41 WeakPolarHBondContact CB-O 3.44Å; S35-A41 PolarHBondContact N-O 3.35Å
36	E	80.7	Confident	89.8	Confident	114 Å²	114	39.7 Å²	39.7	53%	0.533	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-15	174.2	-66.1	144.2	133.2	0	0	113.3	T13 R14 R33	T13-E36 WeakPolarHBondContact CA-OE1 3.49Å; R14-E36 PolarHBondContact N-OE1 2.61Å; R33-E36 IonicContact CZ-OE2 3.13Å; R33-E36 VanDerWaalsContact NH1-CD 3.26Å; R33-E36 IonicContact NH1-OE2 3.23Å; R33-E36 PolarHBondContact NH1-OE2 3.06Å; R33-E36 IonicContact NH2-OE2 2.73Å; R33-E36 PolarHBondContact NH2-OE2 3.16Å
37	S	75.3	Confident	90	Very high	71 Å²	71	33.4 Å²	33.4	50%	0.497	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119	-9.4	-170.1	54.9	0	0	0	0	114.9	S35	S35-S37 PolarHBondContact O-N 3.5Å; S35-S37 VanDerWaalsContact O-N 3.12Å; S35-S37 PolarHBondContact OG-N 2.88Å; S35-S37 PolarHBondContact OG-OG 3.46Å
38	V	79.8	Confident	90	Very high	58 Å²	58	33.3 Å²	33.3	35%	0.352	18%	0.181	S	C	.	.	S	Bend	trans	-145.8	109.2	-178.4	179.7	0	0	0	0	109.2	S35 G40 A41	S35-V38 WeakPolarHBondContact CB-O 3.47Å; S35-V38 PolarHBondContact OG-N 3.31Å; V38-G40 PolarHBondContact O-N 3.16Å; V38-A41 HydrophobicContact CB-CB 3.83Å; V38-A41 HydrophobicContact CG1-CB 3.62Å; V38-A41 PolarHBondContact O-N 3.48Å; V38-A41 VanDerWaalsContact O-N 3.16Å
39	Q	77.1	Confident	89.9	Confident	203 Å²	203	39.2 Å²	39.2	95%	0.949	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	128	-178.6	-169.5	176.6	15.3	0	0	111.2	A41	Q39-A41 VanDerWaalsContact C-N 3.31Å
40	G	80.4	Confident	89.3	Confident	46 Å²	46	45.8 Å²	45.8	47%	0.474	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	80	5.8	-177.9	0	0	0	0	0	115.3	V38	V38-G40 PolarHBondContact O-N 3.16Å
41	A	87.9	Confident	88.7	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.008	26%	0.264	C	S	.	.			trans	-104.6	160.2	168	0	0	0	0	0	111	S35 V38 Q39 I57 L58	S35-A41 WeakPolarHBondContact CB-O 3.44Å; S35-A41 PolarHBondContact N-O 3.35Å; V38-A41 HydrophobicContact CB-CB 3.83Å; V38-A41 HydrophobicContact CG1-CB 3.62Å; V38-A41 PolarHBondContact O-N 3.48Å; V38-A41 VanDerWaalsContact O-N 3.16Å; Q39-A41 VanDerWaalsContact C-N 3.31Å; A41-I57 WeakPolarHBondContact CB-O 3.37Å; A41-L58 HydrophobicContact CB-CD2 3.88Å
42	Y	93.5	Very high	88.6	Confident	54 Å²	54	50.2 Å²	50.2	21%	0.212	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	163.9	-179	-47.9	-79.3	0	0	0	111.8	Y8 I32 R33 D34 I57 L65 L81	Y8-Y42 AromaticContact CE2-CD1 3.98Å; Y8-Y42 HydrophobicContact CE2-CD1 3.98Å; Y8-Y42 HydrophobicContact CE2-CE1 4.06Å; Y8-Y42 VanDerWaalsContact OH-CE1 3.28Å; Y8-Y42 WeakPolarHBondContact OH-CE1 3.49Å; I32-Y42 HydrophobicContact CG2-CG 4.49Å; R33-Y42 CarbonylContact O-C 3.47Å; R33-Y42 VanDerWaalsContact O-CA 3.32Å; R33-Y42 WeakPolarHBondContact O-CA 3.05Å; R33-Y42 WeakPolarHBondContact O-CB 3.12Å; D34-Y42 WeakPolarHBondContact OD1-CD1 3.46Å; D34-Y42 VanDerWaalsContact OD1-CE1 3.27Å; D34-Y42 WeakPolarHBondContact OD1-CE1 3.27Å; Y42-I57 HydrophobicContact CD2-CG2 4.36Å; Y42-I57 PolarHBondContact N-O 3.06Å; Y42-I57 PolarHBondContact O-N 2.82Å; Y42-L65 HydrophobicContact CD2-CD2 4.32Å; Y42-L65 HydrophobicContact CE2-CD1 4.27Å; Y42-L65 HydrophobicContact CE2-CD2 4.06Å; Y42-L81 HydrophobicContact CD1-CD1 4.12Å; Y42-L81 HydrophobicContact CD2-CD1 3.96Å; Y42-L81 HydrophobicContact CD2-CD2 3.79Å; Y42-L81 HydrophobicContact CD2-CG 4.15Å; Y42-L81 HydrophobicContact CE1-CD1 4.06Å; Y42-L81 HydrophobicContact CE2-CD1 3.87Å; Y42-L81 HydrophobicContact CE2-CD2 4.24Å; Y42-L81 HydrophobicContact CE2-CG 4.11Å; Y42-L81 HydrophobicContact CG-CD1 4.07Å; Y42-L81 HydrophobicContact CG-CD2 4.21Å
43	A	93.9	Very high	88.3	Confident	5 Å²	5	54.2 Å²	54.2	4%	0.041	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	113	176	0	0	0	0	0	110.4	I32 R33 T54 Y55	I32-A43 WeakPolarHBondContact CA-O 3.39Å; R33-A43 HydrophobicContact CG-CB 3.97Å; R33-A43 PolarHBondContact N-O 3.48Å; R33-A43 PolarHBondContact O-N 2.89Å; A43-T54 HydrophobicContact CB-CG2 3.86Å; A43-Y55 WeakPolarHBondContact CA-O 3.33Å
44	L	95.1	Very high	88.3	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	114.7	172.2	168.9	61.6	0	0	0	109.1	F30 I32 V46 T54 Y55 I57 L95 L99	F30-L44 HydrophobicContact CB-CD1 4.4Å; F30-L44 HydrophobicContact CD2-CD1 4Å; I32-L44 HydrophobicContact CD1-CD1 4.15Å; I32-L44 HydrophobicContact CG1-CB 4.2Å; I32-L44 HydrophobicContact CG1-CD1 3.69Å; L44-V46 HydrophobicContact CD1-CG2 4.02Å; L44-V46 HydrophobicContact CD2-CG2 4.48Å; L44-V46 HydrophobicContact CG-CG2 3.94Å; L44-T54 CarbonylContact O-C 3.56Å; L44-T54 WeakPolarHBondContact O-CA 3.4Å; L44-Y55 PolarHBondContact N-O 3.07Å; L44-Y55 PolarHBondContact O-N 3.36Å; L44-I57 HydrophobicContact CB-CD1 4.09Å; L44-I57 HydrophobicContact CB-CG1 4.29Å; L44-L95 HydrophobicContact CD2-CD1 3.99Å; L44-L95 HydrophobicContact CD2-CD2 4.24Å; L44-L99 HydrophobicContact CD1-CD1 4.39Å; L44-L99 HydrophobicContact CD1-CD2 4.03Å; L44-L99 HydrophobicContact CD2-CD2 4.38Å
45	C	95.6	Very high	88.2	Confident	1 Å²	1	55.5 Å²	55.5	1%	0.007	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	125.5	-179.2	-57.5	0	0	0	0	109.4	L21 F30 L31 V52 Y53	L21-C45 HydrophobicContact CD1-CB 3.51Å; F30-C45 CarbonylContact C-O 3.53Å; F30-C45 WeakPolarHBondContact CA-O 3.13Å; F30-C45 WeakPolarHBondContact CB-O 3.38Å; L31-C45 HydrophobicContact CD1-CB 4.23Å; L31-C45 HydrophobicContact CG-CB 4.48Å; L31-C45 PolarHBondContact N-O 3.43Å; L31-C45 PolarHBondContact O-N 3.22Å; C45-V52 HydrophobicContact CB-CG1 4.19Å; C45-Y53 WeakPolarHBondContact CA-O 3.35Å
46	V	95.6	Very high	88.4	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	129	-174.8	-171.1	0	0	0	0	110.3	S29 F30 L44 Y53 Y55 T97 L99	S29-V46 CarbonylContact O-C 3.58Å; S29-V46 WeakPolarHBondContact O-CA 3.48Å; F30-V46 HydrophobicContact CB-CG2 4.15Å; L44-V46 HydrophobicContact CD1-CG2 4.02Å; L44-V46 HydrophobicContact CD2-CG2 4.48Å; L44-V46 HydrophobicContact CG-CG2 3.94Å; V46-Y53 PolarHBondContact N-O 2.85Å; V46-Y53 PolarHBondContact O-N 3.36Å; V46-Y55 HydrophobicContact CG2-CD2 4.38Å; V46-Y55 HydrophobicContact CG2-CE2 4.36Å; V46-T97 HydrophobicContact CG1-CG2 3.82Å; V46-L99 HydrophobicContact CG1-CD2 4.39Å; V46-L99 HydrophobicContact CG2-CD2 3.67Å
47	L	94.6	Very high	89	Confident	2 Å²	2	55.3 Å²	55.3	1%	0.01	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	131.2	173.9	-170	75.8	0	0	0	110.9	L21 G28 S29 V52	L21-L47 HydrophobicContact CB-CB 4.39Å; L21-L47 HydrophobicContact CD2-CB 4.26Å; G28-L47 PolarHBondContact N-O 2.95Å; S29-L47 PolarHBondContact O-N 2.8Å; L47-V52 HydrophobicContact CD1-CG2 3.67Å
48	Y	93.8	Very high	89.6	Confident	61 Å²	61	55 Å²	55	24%	0.239	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	130.3	170.4	-173.9	-110.6	0	0	0	111.4	D27 N50 C51 Y53 V96 T97	D27-Y48 HydrophobicContact CB-CD2 3.97Å; D27-Y48 HydrophobicContact CB-CE2 4.45Å; D27-Y48 WeakPolarHBondContact OD1-CA 3.39Å; D27-Y48 WeakPolarHBondContact OD2-CD2 3.17Å; D27-Y48 WeakPolarHBondContact OD2-CE2 3.46Å; Y48-N50 VanDerWaalsContact C-N 3.31Å; Y48-N50 PolarHBondContact O-N 3.33Å; Y48-C51 PolarHBondContact N-O 3.25Å; Y48-C51 WeakPolarHBondContact O-CB 3.48Å; Y48-C51 PolarHBondContact O-N 2.9Å; Y48-C51 VanDerWaalsContact O-O 3.09Å; Y48-Y53 HydrophobicContact CD1-CE2 4.47Å; Y48-V96 HydrophobicContact CD1-CB 4.44Å; Y48-V96 HydrophobicContact CD1-CG1 4.26Å; Y48-V96 HydrophobicContact CD1-CG2 3.44Å; Y48-V96 VanDerWaalsContact CD1-CG2 3.44Å; Y48-V96 HydrophobicContact CE1-CG2 3.94Å; Y48-V96 HydrophobicContact CG-CG1 4.17Å; Y48-V96 HydrophobicContact CG-CG2 4.17Å; Y48-T97 HydrophobicContact CD2-CG2 3.75Å; Y48-T97 HydrophobicContact CG-CG2 4.13Å
49	Q	88.1	Confident	89.9	Confident	123 Å²	123	55 Å²	55	58%	0.575	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	47.2	-178.7	-60.8	-178.4	11.6	0	0	112.9	D27 C51	D27-Q49 PolarHBondContact OD1-N 3.1Å; Q49-C51 PolarHBondContact O-N 3.14Å; Q49-C51 VanDerWaalsContact O-N 3.08Å
50	N	84.1	Confident	90.2	Very high	143 Å²	143	47.5 Å²	47.5	77%	0.765	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.6	16.1	-174.8	-64.7	0.7	0	0	0	115.4	Y48	Y48-N50 VanDerWaalsContact C-N 3.31Å; Y48-N50 PolarHBondContact O-N 3.33Å
51	C	84.3	Confident	90.2	Very high	65 Å²	65	54.9 Å²	54.9	44%	0.439	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	138.2	173.6	-59.9	0	0	0	0	109.5	Y48 Q49 Y53	Y48-C51 PolarHBondContact N-O 3.25Å; Y48-C51 WeakPolarHBondContact O-CB 3.48Å; Y48-C51 PolarHBondContact O-N 2.9Å; Y48-C51 VanDerWaalsContact O-O 3.09Å; Q49-C51 PolarHBondContact O-N 3.14Å; Q49-C51 VanDerWaalsContact O-N 3.08Å; C51-Y53 HydrophobicContact CB-CD2 4.3Å; C51-Y53 HydrophobicContact CB-CE2 3.62Å; C51-Y53 WeakPolarHBondContact O-CD2 3.35Å
52	V	92.6	Very high	90	Very high	28 Å²	28	60.8 Å²	60.8	17%	0.17	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	123.3	172.4	175.4	0	0	0	0	109.1	E18 L21 C45 L47	E18-V52 HydrophobicContact CG-CB 3.99Å; E18-V52 HydrophobicContact CG-CG1 3.9Å; E18-V52 HydrophobicContact CG-CG2 4.28Å; L21-V52 HydrophobicContact CB-CG2 3.81Å; L21-V52 HydrophobicContact CD1-CG1 3.66Å; L21-V52 HydrophobicContact CD1-CG2 4.08Å; C45-V52 HydrophobicContact CB-CG1 4.19Å; L47-V52 HydrophobicContact CD1-CG2 3.67Å
53	Y	90.4	Very high	89.3	Confident	85 Å²	85	66.5 Å²	66.5	33%	0.333	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	124	177.4	-65.7	-101.6	0	0	0	108.9	C45 V46 Y48 C51 V96	C45-Y53 WeakPolarHBondContact CA-O 3.35Å; V46-Y53 PolarHBondContact N-O 2.85Å; V46-Y53 PolarHBondContact O-N 3.36Å; Y48-Y53 HydrophobicContact CD1-CE2 4.47Å; C51-Y53 HydrophobicContact CB-CD2 4.3Å; C51-Y53 HydrophobicContact CB-CE2 3.62Å; C51-Y53 WeakPolarHBondContact O-CD2 3.35Å; Y53-V96 HydrophobicContact CD1-CB 4.31Å; Y53-V96 HydrophobicContact CD1-CG1 4.24Å; Y53-V96 HydrophobicContact CD1-CG2 4.48Å; Y53-V96 HydrophobicContact CD2-CB 4.47Å; Y53-V96 HydrophobicContact CD2-CG1 3.67Å; Y53-V96 HydrophobicContact CE1-CB 4.41Å; Y53-V96 HydrophobicContact CE1-CG2 4.09Å; Y53-V96 HydrophobicContact CE2-CG1 4.05Å; Y53-V96 HydrophobicContact CE2-CG2 4.14Å; Y53-V96 HydrophobicContact CG-CB 4.34Å; Y53-V96 HydrophobicContact CG-CG1 3.76Å
54	T	92.4	Very high	89	Confident	55 Å²	55	69.5 Å²	69.5	34%	0.337	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	120.5	179.8	-55.3	0	0	0	0	110.6	A43 L44	A43-T54 HydrophobicContact CB-CG2 3.86Å; L44-T54 CarbonylContact O-C 3.56Å; L44-T54 WeakPolarHBondContact O-CA 3.4Å
55	Y	91.6	Very high	88.7	Confident	31 Å²	31	70.1 Å²	70.1	12%	0.122	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	132.2	177.6	-59.9	-90.2	0	0	0	109.9	A43 L44 V46 V67 L95 V96	A43-Y55 WeakPolarHBondContact CA-O 3.33Å; L44-Y55 PolarHBondContact N-O 3.07Å; L44-Y55 PolarHBondContact O-N 3.36Å; V46-Y55 HydrophobicContact CG2-CD2 4.38Å; V46-Y55 HydrophobicContact CG2-CE2 4.36Å; Y55-V67 HydrophobicContact CG-CG1 4.4Å; Y55-L95 HydrophobicContact CD1-CD2 3.74Å; Y55-L95 HydrophobicContact CD2-CD2 3.69Å; Y55-L95 HydrophobicContact CE1-CD2 3.82Å; Y55-L95 HydrophobicContact CE2-CB 4.44Å; Y55-L95 HydrophobicContact CE2-CD2 3.77Å; Y55-L95 HydrophobicContact CG-CD2 3.67Å; Y55-V96 WeakPolarHBondContact OH-CB 3.29Å; Y55-V96 PolarHBondContact OH-N 2.76Å
56	R	90.4	Very high	88.5	Confident	130 Å²	130	71 Å²	71	49%	0.491	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	132.1	175.3	-69.4	179.3	172.7	179	-4.3	110	L58 V67 Q68	R56-L58 HydrophobicContact CB-CG 4.4Å; R56-V67 WeakPolarHBondContact O-CA 2.87Å; R56-Q68 HydrophobicContact CB-CB 4.43Å; R56-Q68 PolarHBondContact O-N 3.2Å
57	I	92.4	Very high	88.1	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	113.3	167.2	-50.4	-174.1	0	0	0	107.3	I32 A41 Y42 L44 L65 S66 V67 L81 L84	I32-I57 HydrophobicContact CD1-CD1 3.89Å; I32-I57 HydrophobicContact CG2-CD1 4.36Å; A41-I57 WeakPolarHBondContact CB-O 3.37Å; Y42-I57 HydrophobicContact CD2-CG2 4.36Å; Y42-I57 PolarHBondContact N-O 3.06Å; Y42-I57 PolarHBondContact O-N 2.82Å; L44-I57 HydrophobicContact CB-CD1 4.09Å; L44-I57 HydrophobicContact CB-CG1 4.29Å; I57-L65 HydrophobicContact CG2-CB 3.85Å; I57-L65 HydrophobicContact CG2-CD2 4.28Å; I57-L65 HydrophobicContact CG2-CG 4.44Å; I57-S66 CarbonylContact C-O 3.47Å; I57-S66 VanDerWaalsContact CA-O 3.28Å; I57-S66 WeakPolarHBondContact CA-O 3.42Å; I57-V67 HydrophobicContact CG1-CG2 4.28Å; I57-L81 HydrophobicContact CD1-CD2 3.72Å; I57-L81 HydrophobicContact CG2-CD2 4.37Å; I57-L84 HydrophobicContact CD1-CD1 3.97Å; I57-L84 HydrophobicContact CD1-CD2 3.89Å; I57-L84 HydrophobicContact CG1-CD1 4.42Å; I57-L84 HydrophobicContact CG2-CD1 3.65Å
58	L	87.6	Confident	87.5	Confident	63 Å²	63	76.9 Å²	76.9	33%	0.33	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	132	-177.3	-60.5	176.2	0	0	0	110.5	A41 R56 S66	A41-L58 HydrophobicContact CB-CD2 3.88Å; R56-L58 HydrophobicContact CB-CG 4.4Å; L58-S66 PolarHBondContact N-O 2.84Å; L58-S66 PolarHBondContact O-N 3.43Å; L58-S66 PolarHBondContact O-OG 2.83Å
59	P	86.7	Confident	86.7	Confident	58 Å²	58	75.5 Å²	75.5	38%	0.377	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	142.6	165.7	31	-33.3	0	0	0	110.6	Q64 L65	P59-Q64 CarbonylContact C-O 3.6Å; P59-Q64 WeakPolarHBondContact CA-O 3.17Å; P59-L65 HydrophobicContact CB-CD2 4.13Å
60	N	83.4	Confident	86.1	Confident	47 Å²	47	72.8 Å²	72.8	25%	0.251	37%	0.372	S	S	.	.			trans	-88	-175.8	166.1	73.5	0.4	0	0	0	111.5	D62 K63 Q64 F77	N60-D62 VanDerWaalsContact C-N 3.25Å; N60-D62 PolarHBondContact O-N 3.09Å; N60-D62 WeakPolarHBondContact OD1-CA 3.43Å; N60-D62 PolarHBondContact OD1-N 3.23Å; N60-D62 VanDerWaalsContact OD1-N 3.11Å; N60-K63 WeakPolarHBondContact O-CA 3.36Å; N60-K63 PolarHBondContact O-N 2.59Å; N60-K63 PolarHBondContact OD1-N 2.81Å; N60-Q64 PolarHBondContact N-O 3.26Å; N60-Q64 PolarHBondContact ND2-OE1 2.85Å; N60-Q64 WeakPolarHBondContact OD1-CA 3.16Å; N60-Q64 WeakPolarHBondContact OD1-CB 3.12Å; N60-Q64 PolarHBondContact OD1-N 2.66Å; N60-Q64 PolarHBondContact OD1-O 2.64Å; N60-F77 HydrophobicContact CB-CE1 4.3Å
61	E	81.3	Confident	85	Confident	200 Å²	200	75.6 Å²	75.6	94%	0.935	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-33.9	179.9	-61.1	-178	175.4	0	0	112.5	K63	E61-K63 PolarHBondContact O-N 2.86Å
62	D	82.2	Confident	84	Confident	125 Å²	125	76.5 Å²	76.5	67%	0.668	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	9.2	173.1	-60	-60.6	0	0	0	113.8	N60 Q64	N60-D62 VanDerWaalsContact C-N 3.25Å; N60-D62 PolarHBondContact O-N 3.09Å; N60-D62 WeakPolarHBondContact OD1-CA 3.43Å; N60-D62 PolarHBondContact OD1-N 3.23Å; N60-D62 VanDerWaalsContact OD1-N 3.11Å; D62-Q64 HydrophobicContact CB-CG 4.09Å; D62-Q64 PolarHBondContact O-N 2.85Å
63	K	80.1	Confident	83.1	Confident	175 Å²	175	77.6 Å²	77.6	76%	0.761	41%	0.408	S	S	*	.			trans	61.6	13.4	-174.5	-55.2	-177.9	179.3	179.8	0	115.6	N60 E61	N60-K63 WeakPolarHBondContact O-CA 3.36Å; N60-K63 PolarHBondContact O-N 2.59Å; N60-K63 PolarHBondContact OD1-N 2.81Å; E61-K63 PolarHBondContact O-N 2.86Å
64	Q	86.8	Confident	82.3	Confident	67 Å²	67	78.4 Å²	78.4	31%	0.313	42%	0.424	S	S	.	.			trans	-76.4	132.6	175.2	-52.9	174.4	-14.3	0	0	110.3	P59 N60 D62 F77 F78	P59-Q64 CarbonylContact C-O 3.6Å; P59-Q64 WeakPolarHBondContact CA-O 3.17Å; N60-Q64 PolarHBondContact N-O 3.26Å; N60-Q64 PolarHBondContact ND2-OE1 2.85Å; N60-Q64 WeakPolarHBondContact OD1-CA 3.16Å; N60-Q64 WeakPolarHBondContact OD1-CB 3.12Å; N60-Q64 PolarHBondContact OD1-N 2.66Å; N60-Q64 PolarHBondContact OD1-O 2.64Å; D62-Q64 HydrophobicContact CB-CG 4.09Å; D62-Q64 PolarHBondContact O-N 2.85Å; Q64-F77 HydrophobicContact CB-CB 3.94Å; Q64-F77 HydrophobicContact CB-CD1 4.36Å; Q64-F77 VanDerWaalsContact OE1-CB 3.3Å; Q64-F78 CarbonylContact C-O 3.59Å; Q64-F78 WeakPolarHBondContact CA-O 3.15Å
65	L	89.4	Confident	81.7	Confident	14 Å²	14	81.5 Å²	81.5	7%	0.073	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	135.8	-177.6	-57.7	177.8	0	0	0	110.9	Y42 I57 P59 F77 F78 L81 L84	Y42-L65 HydrophobicContact CD2-CD2 4.32Å; Y42-L65 HydrophobicContact CE2-CD1 4.27Å; Y42-L65 HydrophobicContact CE2-CD2 4.06Å; I57-L65 HydrophobicContact CG2-CB 3.85Å; I57-L65 HydrophobicContact CG2-CD2 4.28Å; I57-L65 HydrophobicContact CG2-CG 4.44Å; P59-L65 HydrophobicContact CB-CD2 4.13Å; L65-F77 CarbonylContact O-C 3.57Å; L65-F77 WeakPolarHBondContact O-CA 3.3Å; L65-F78 PolarHBondContact N-O 3.27Å; L65-F78 WeakPolarHBondContact O-CD2 3.21Å; L65-F78 PolarHBondContact O-N 2.87Å; L65-L81 HydrophobicContact CD1-CB 4.45Å; L65-L81 HydrophobicContact CD1-CD2 3.73Å; L65-L81 HydrophobicContact CD1-CG 3.7Å; L65-L84 HydrophobicContact CB-CD1 4.06Å
66	S	89.8	Confident	81.4	Confident	20 Å²	20	86.4 Å²	86.4	14%	0.14	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	144.1	174.5	63.1	0	0	0	0	111	I57 L58 R76	I57-S66 CarbonylContact C-O 3.47Å; I57-S66 VanDerWaalsContact CA-O 3.28Å; I57-S66 WeakPolarHBondContact CA-O 3.42Å; L58-S66 PolarHBondContact N-O 2.84Å; L58-S66 PolarHBondContact O-N 3.43Å; L58-S66 PolarHBondContact O-OG 2.83Å; S66-R76 WeakPolarHBondContact CA-O 3.28Å; S66-R76 WeakPolarHBondContact CB-O 3.3Å
67	V	88.9	Confident	81.3	Confident	5 Å²	5	85.1 Å²	85.1	3%	0.03	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	131.4	177.2	-172.2	0	0	0	0	109.7	Y55 R56 I57 A69 L84 Y88 L95	Y55-V67 HydrophobicContact CG-CG1 4.4Å; R56-V67 WeakPolarHBondContact O-CA 2.87Å; I57-V67 HydrophobicContact CG1-CG2 4.28Å; V67-A69 VanDerWaalsContact C-N 3.29Å; V67-A69 PolarHBondContact O-N 2.91Å; V67-L84 HydrophobicContact CG2-CD1 3.67Å; V67-L84 HydrophobicContact CG2-CD2 3.79Å; V67-L84 HydrophobicContact CG2-CG 3.84Å; V67-Y88 HydrophobicContact CB-CE2 4.01Å; V67-Y88 HydrophobicContact CG2-CD2 4.1Å; V67-Y88 HydrophobicContact CG2-CE2 3.39Å; V67-L95 HydrophobicContact CG1-CD2 4.28Å
68	Q	82.1	Confident	81.2	Confident	120 Å²	120	86.2 Å²	86.2	56%	0.561	46%	0.458	S	S	*	.			trans	-75.3	82.1	171.6	-166.8	173.4	11.6	0	0	110.4	R56	R56-Q68 HydrophobicContact CB-CB 4.43Å; R56-Q68 PolarHBondContact O-N 3.2Å
69	A	75.7	Confident	81.1	Confident	31 Å²	31	87.6 Å²	87.6	26%	0.256	47%	0.469	S	S	.	.			trans	-78.7	176.8	177.7	0	0	0	0	0	113	V67	V67-A69 VanDerWaalsContact C-N 3.29Å; V67-A69 PolarHBondContact O-N 2.91Å
70	S	75.4	Confident	81.1	Confident	67 Å²	67	89.8 Å²	89.8	47%	0.469	48%	0.475	S	S	.	.	S	Bend	trans	-58.6	144.9	174.8	58.3	0	0	0	0	113.4	V73 G94	S70-V73 PolarHBondContact O-N 2.84Å; S70-G94 PolarHBondContact N-O 3.46Å
71	E	62.1	Low	81.4	Confident	202 Å²	202	88.4 Å²	88.4	94%	0.944	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	140.1	178.3	-63.5	-172.3	144.4	0	0	113.1
72	G	63.5	Low	81.9	Confident	84 Å²	84	81.3 Å²	81.3	87%	0.866	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.8	-8	-179.3	0	0	0	0	0	115.7
73	V	73.1	Confident	82.4	Confident	50 Å²	50	78.7 Å²	78.7	30%	0.303	42%	0.423	S	S	.	.	S	Bend	trans	-86.9	131.6	172.6	-178.6	0	0	0	0	110.3	S70 I75	S70-V73 PolarHBondContact O-N 2.84Å; V73-I75 PolarHBondContact O-N 2.83Å
74	P	73.6	Confident	82.9	Confident	103 Å²	103	70.3 Å²	70.3	67%	0.669	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-61.2	125.3	176.1	-24.1	34.4	0	0	0	112.2	R76	P74-R76 PolarHBondContact O-N 2.82Å
75	I	79.4	Confident	83.2	Confident	120 Å²	120	67.3 Å²	67.3	62%	0.615	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-60.4	135.3	175.4	-58.6	175.8	0	0	0	109.1	V73 F77	V73-I75 PolarHBondContact O-N 2.83Å; I75-F77 HydrophobicContact CG2-CE1 4.19Å; I75-F77 HydrophobicContact CG2-CE2 4.11Å; I75-F77 HydrophobicContact CG2-CZ 3.81Å
76	R	84.6	Confident	83.3	Confident	133 Å²	133	73.5 Å²	73.5	50%	0.502	40%	0.401	S	S	.	.			trans	-118.7	144.5	174.2	-59.9	-169.9	-170.2	-164.8	6.7	110.2	S66 P74 F78	S66-R76 WeakPolarHBondContact CA-O 3.28Å; S66-R76 WeakPolarHBondContact CB-O 3.3Å; P74-R76 PolarHBondContact O-N 2.82Å; R76-F78 HydrophobicContact CB-CE2 3.75Å; R76-F78 HydrophobicContact CB-CZ 3.75Å
77	F	88.9	Confident	83.2	Confident	104 Å²	104	73.4 Å²	73.4	46%	0.456	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	138.2	179.1	-59.6	-80.6	0	0	0	109.5	N60 Q64 L65 I75	N60-F77 HydrophobicContact CB-CE1 4.3Å; Q64-F77 HydrophobicContact CB-CB 3.94Å; Q64-F77 HydrophobicContact CB-CD1 4.36Å; Q64-F77 VanDerWaalsContact OE1-CB 3.3Å; L65-F77 CarbonylContact O-C 3.57Å; L65-F77 WeakPolarHBondContact O-CA 3.3Å; I75-F77 HydrophobicContact CG2-CE1 4.19Å; I75-F77 HydrophobicContact CG2-CE2 4.11Å; I75-F77 HydrophobicContact CG2-CZ 3.81Å
78	F	90.8	Very high	83.4	Confident	23 Å²	23	73.4 Å²	73.4	10%	0.101	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	146	-176.9	-56.7	-83.5	0	0	0	109	Q64 L65 R76 E83 L84 A87 Y88	Q64-F78 CarbonylContact C-O 3.59Å; Q64-F78 WeakPolarHBondContact CA-O 3.15Å; L65-F78 PolarHBondContact N-O 3.27Å; L65-F78 WeakPolarHBondContact O-CD2 3.21Å; L65-F78 PolarHBondContact O-N 2.87Å; R76-F78 HydrophobicContact CB-CE2 3.75Å; R76-F78 HydrophobicContact CB-CZ 3.75Å; F78-E83 HydrophobicContact CB-CB 4.39Å; F78-E83 HydrophobicContact CD1-CB 4.21Å; F78-L84 HydrophobicContact CB-CB 3.98Å; F78-L84 HydrophobicContact CD1-CB 4.29Å; F78-L84 HydrophobicContact CD2-CB 3.77Å; F78-L84 HydrophobicContact CD2-CD1 3.9Å; F78-L84 HydrophobicContact CD2-CG 3.78Å; F78-L84 HydrophobicContact CE2-CB 4.32Å; F78-L84 HydrophobicContact CE2-CG 4.08Å; F78-L84 HydrophobicContact CG-CB 3.74Å; F78-L84 HydrophobicContact CG-CG 4.29Å; F78-A87 HydrophobicContact CE1-CB 3.44Å; F78-A87 VanDerWaalsContact CE1-CB 3.44Å; F78-A87 HydrophobicContact CZ-CB 3.67Å; F78-Y88 HydrophobicContact CE2-CE2 4Å; F78-Y88 HydrophobicContact CZ-CE2 4.24Å
79	T	85.8	Confident	83.9	Confident	91 Å²	91	72.1 Å²	72.1	56%	0.558	39%	0.392	S	S	*	.	S	Bend	trans	-83.8	-25.9	-179.5	73.6	0	0	0	0	112.3	E83	T79-E83 WeakPolarHBondContact CA-OE2 3.37Å; T79-E83 WeakPolarHBondContact CB-OE2 3.42Å; T79-E83 PolarHBondContact N-OE2 2.57Å; T79-E83 VanDerWaalsContact OG1-CD 3.23Å; T79-E83 PolarHBondContact OG1-OE1 2.78Å; T79-E83 VanDerWaalsContact OG1-OE1 3.1Å; T79-E83 PolarHBondContact OG1-OE2 3.06Å
80	M	87.3	Confident	84.4	Confident	104 Å²	104	75 Å²	75	51%	0.512	40%	0.403	S	S	.	.	S	Bend	trans	-141.8	154.3	179.6	-56.3	179.4	-75.1	0	0	112.5	P82 E83 L84	M80-P82 VanDerWaalsContact C-CD 3.49Å; M80-E83 HydrophobicContact CB-CG 4.36Å; M80-E83 HydrophobicContact CE-CG 4.24Å; M80-E83 PolarHBondContact N-OE2 2.76Å; M80-E83 PolarHBondContact O-N 2.89Å; M80-L84 PolarHBondContact O-N 2.99Å
81	L	89.1	Confident	84.9	Confident	19 Å²	19	75.2 Å²	75.2	10%	0.099	40%	0.403	C	S	.	.	H	α-helix	trans	-55.5	-38.2	177.3	-76.7	173.3	0	0	0	114.8	W7 Y8 I32 Y42 I57 L65 E83 L84 V85	W7-L81 HydrophobicContact CH2-CB 3.76Å; W7-L81 HydrophobicContact CZ3-CB 4.13Å; Y8-L81 HydrophobicContact CD2-CD1 3.98Å; Y8-L81 HydrophobicContact CE2-CD1 3.66Å; I32-L81 HydrophobicContact CD1-CD2 4.23Å; I32-L81 HydrophobicContact CG2-CD1 4.42Å; I32-L81 HydrophobicContact CG2-CD2 4.38Å; Y42-L81 HydrophobicContact CD1-CD1 4.12Å; Y42-L81 HydrophobicContact CD2-CD1 3.96Å; Y42-L81 HydrophobicContact CD2-CD2 3.79Å; Y42-L81 HydrophobicContact CD2-CG 4.15Å; Y42-L81 HydrophobicContact CE1-CD1 4.06Å; Y42-L81 HydrophobicContact CE2-CD1 3.87Å; Y42-L81 HydrophobicContact CE2-CD2 4.24Å; Y42-L81 HydrophobicContact CE2-CG 4.11Å; Y42-L81 HydrophobicContact CG-CD1 4.07Å; Y42-L81 HydrophobicContact CG-CD2 4.21Å; I57-L81 HydrophobicContact CD1-CD2 3.72Å; I57-L81 HydrophobicContact CG2-CD2 4.37Å; L65-L81 HydrophobicContact CD1-CB 4.45Å; L65-L81 HydrophobicContact CD1-CD2 3.73Å; L65-L81 HydrophobicContact CD1-CG 3.7Å; L81-E83 PolarHBondContact O-N 2.83Å; L81-L84 WeakPolarHBondContact O-CB 3.49Å; L81-L84 PolarHBondContact O-N 2.88Å; L81-V85 WeakPolarHBondContact O-CG2 3.34Å; L81-V85 PolarHBondContact O-N 2.66Å
82	P	92.3	Very high	85.8	Confident	51 Å²	51	73.3 Å²	73.3	33%	0.331	40%	0.399	S	S	.	.	H	α-helix	trans	-62.7	-37.2	177.1	-25.4	36.5	0	0	0	113.8	W7 M80 L84 V85 E86	W7-P82 HydrophobicContact CH2-CG 4.29Å; W7-P82 HydrophobicContact CZ2-CB 4.34Å; W7-P82 HydrophobicContact CZ2-CG 4.14Å; M80-P82 VanDerWaalsContact C-CD 3.49Å; P82-L84 VanDerWaalsContact C-N 3.32Å; P82-L84 PolarHBondContact O-N 2.9Å; P82-V85 PolarHBondContact O-N 3.05Å; P82-E86 WeakPolarHBondContact O-CB 3.33Å; P82-E86 PolarHBondContact O-N 2.99Å
83	E	91.1	Very high	86.7	Confident	69 Å²	69	70.3 Å²	70.3	32%	0.322	36%	0.363	S	S	.	.	H	α-helix	trans	-65.2	-39.1	177.8	-54.9	176.4	148	0	0	111.3	F78 T79 M80 L81 A87	F78-E83 HydrophobicContact CB-CB 4.39Å; F78-E83 HydrophobicContact CD1-CB 4.21Å; T79-E83 WeakPolarHBondContact CA-OE2 3.37Å; T79-E83 WeakPolarHBondContact CB-OE2 3.42Å; T79-E83 PolarHBondContact N-OE2 2.57Å; T79-E83 VanDerWaalsContact OG1-CD 3.23Å; T79-E83 PolarHBondContact OG1-OE1 2.78Å; T79-E83 VanDerWaalsContact OG1-OE1 3.1Å; T79-E83 PolarHBondContact OG1-OE2 3.06Å; M80-E83 HydrophobicContact CB-CG 4.36Å; M80-E83 HydrophobicContact CE-CG 4.24Å; M80-E83 PolarHBondContact N-OE2 2.76Å; M80-E83 PolarHBondContact O-N 2.89Å; L81-E83 PolarHBondContact O-N 2.83Å; E83-A87 WeakPolarHBondContact O-CB 3.41Å; E83-A87 PolarHBondContact O-N 3.45Å
84	L	92.3	Very high	87.1	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-63.2	-50.9	174	-177.2	159.3	0	0	0	110.1	I57 L65 V67 F78 M80 L81 P82 E86 A87 Y88	I57-L84 HydrophobicContact CD1-CD1 3.97Å; I57-L84 HydrophobicContact CD1-CD2 3.89Å; I57-L84 HydrophobicContact CG1-CD1 4.42Å; I57-L84 HydrophobicContact CG2-CD1 3.65Å; L65-L84 HydrophobicContact CB-CD1 4.06Å; V67-L84 HydrophobicContact CG2-CD1 3.67Å; V67-L84 HydrophobicContact CG2-CD2 3.79Å; V67-L84 HydrophobicContact CG2-CG 3.84Å; F78-L84 HydrophobicContact CB-CB 3.98Å; F78-L84 HydrophobicContact CD1-CB 4.29Å; F78-L84 HydrophobicContact CD2-CB 3.77Å; F78-L84 HydrophobicContact CD2-CD1 3.9Å; F78-L84 HydrophobicContact CD2-CG 3.78Å; F78-L84 HydrophobicContact CE2-CB 4.32Å; F78-L84 HydrophobicContact CE2-CG 4.08Å; F78-L84 HydrophobicContact CG-CB 3.74Å; F78-L84 HydrophobicContact CG-CG 4.29Å; M80-L84 PolarHBondContact O-N 2.99Å; L81-L84 WeakPolarHBondContact O-CB 3.49Å; L81-L84 PolarHBondContact O-N 2.88Å; P82-L84 VanDerWaalsContact C-N 3.32Å; P82-L84 PolarHBondContact O-N 2.9Å; L84-E86 VanDerWaalsContact C-N 3.35Å; L84-E86 PolarHBondContact O-N 2.87Å; L84-A87 PolarHBondContact O-N 2.86Å; L84-Y88 HydrophobicContact CD2-CD2 3.9Å; L84-Y88 HydrophobicContact CD2-CE2 4.35Å; L84-Y88 HydrophobicContact CG-CD2 4.12Å; L84-Y88 HydrophobicContact CG-CE2 4.24Å; L84-Y88 VanDerWaalsContact O-CD2 3.24Å; L84-Y88 WeakPolarHBondContact O-CD2 3.37Å; L84-Y88 PolarHBondContact O-N 3.49Å
85	V	92.3	Very high	87.9	Confident	3 Å²	3	64.6 Å²	64.6	2%	0.018	33%	0.327	C	S	.	.	H	α-helix	trans	-60.4	-43.1	178	170.5	0	0	0	0	111.5	W7 F30 I32 L81 P82 A87 Y88 Y89 L99	W7-V85 HydrophobicContact CD2-CG1 4.49Å; W7-V85 HydrophobicContact CD2-CG2 4.12Å; W7-V85 HydrophobicContact CE3-CG2 4.02Å; W7-V85 HydrophobicContact CH2-CG2 3.96Å; W7-V85 HydrophobicContact CZ2-CB 4.33Å; W7-V85 HydrophobicContact CZ2-CG2 4.03Å; W7-V85 HydrophobicContact CZ3-CG2 3.95Å; F30-V85 HydrophobicContact CE2-CG1 3.87Å; F30-V85 HydrophobicContact CE2-CG2 4.46Å; F30-V85 HydrophobicContact CZ-CG1 3.87Å; I32-V85 HydrophobicContact CD1-CG2 3.46Å; I32-V85 VanDerWaalsContact CD1-CG2 3.46Å; L81-V85 WeakPolarHBondContact O-CG2 3.34Å; L81-V85 PolarHBondContact O-N 2.66Å; P82-V85 PolarHBondContact O-N 3.05Å; V85-A87 PolarHBondContact O-N 2.89Å; V85-Y88 PolarHBondContact O-N 3.26Å; V85-Y89 HydrophobicContact CG1-CD2 4.29Å; V85-Y89 HydrophobicContact CG1-CE2 3.7Å; V85-Y89 WeakPolarHBondContact O-CD2 3.42Å; V85-Y89 PolarHBondContact O-N 2.98Å; V85-L99 HydrophobicContact CG1-CD1 4.19Å
86	E	91.3	Very high	88.3	Confident	144 Å²	144	61.3 Å²	61.3	67%	0.673	31%	0.312	S	S	*	.	H	α-helix	trans	-58.2	-46.4	175.5	-173.9	170.1	-168.2	0	0	112	P82 L84 Y88 Y89	P82-E86 WeakPolarHBondContact O-CB 3.33Å; P82-E86 PolarHBondContact O-N 2.99Å; L84-E86 VanDerWaalsContact C-N 3.35Å; L84-E86 PolarHBondContact O-N 2.87Å; E86-Y88 VanDerWaalsContact C-N 3.33Å; E86-Y88 PolarHBondContact O-N 3.1Å; E86-Y89 PolarHBondContact O-N 3.33Å
87	A	88.7	Confident	88.7	Confident	19 Å²	19	55.9 Å²	55.9	16%	0.157	29%	0.294	C	S	.	.	H	α-helix	trans	-61.1	-40.5	176.3	0	0	0	0	0	112.4	F78 E83 L84 V85 Y89 N90 M93	F78-A87 HydrophobicContact CE1-CB 3.44Å; F78-A87 VanDerWaalsContact CE1-CB 3.44Å; F78-A87 HydrophobicContact CZ-CB 3.67Å; E83-A87 WeakPolarHBondContact O-CB 3.41Å; E83-A87 PolarHBondContact O-N 3.45Å; L84-A87 PolarHBondContact O-N 2.86Å; V85-A87 PolarHBondContact O-N 2.89Å; A87-Y89 PolarHBondContact O-N 3.1Å; A87-N90 WeakPolarHBondContact O-CB 3.46Å; A87-N90 PolarHBondContact O-N 2.89Å; A87-N90 PolarHBondContact O-ND2 2.9Å; A87-M93 HydrophobicContact CB-CE 4.01Å
88	Y	91.6	Very high	88.8	Confident	5 Å²	5	54 Å²	54	2%	0.02	29%	0.286	C	S	.	.	H	α-helix	trans	-82.2	-3.6	-175.7	-80.4	-74.3	0	0	0	115.8	V67 F78 L84 V85 E86 N90 M93 L95 L99	V67-Y88 HydrophobicContact CB-CE2 4.01Å; V67-Y88 HydrophobicContact CG2-CD2 4.1Å; V67-Y88 HydrophobicContact CG2-CE2 3.39Å; F78-Y88 HydrophobicContact CE2-CE2 4Å; F78-Y88 HydrophobicContact CZ-CE2 4.24Å; L84-Y88 HydrophobicContact CD2-CD2 3.9Å; L84-Y88 HydrophobicContact CD2-CE2 4.35Å; L84-Y88 HydrophobicContact CG-CD2 4.12Å; L84-Y88 HydrophobicContact CG-CE2 4.24Å; L84-Y88 VanDerWaalsContact O-CD2 3.24Å; L84-Y88 WeakPolarHBondContact O-CD2 3.37Å; L84-Y88 PolarHBondContact O-N 3.49Å; V85-Y88 PolarHBondContact O-N 3.26Å; E86-Y88 VanDerWaalsContact C-N 3.33Å; E86-Y88 PolarHBondContact O-N 3.1Å; Y88-N90 PolarHBondContact O-N 3.34Å; Y88-M93 HydrophobicContact CD1-CB 3.56Å; Y88-M93 HydrophobicContact CD1-CG 4.46Å; Y88-M93 HydrophobicContact CE1-CB 3.61Å; Y88-M93 HydrophobicContact CE1-CE 4.41Å; Y88-M93 WeakPolarHBondContact CE1-O 3.46Å; Y88-L95 HydrophobicContact CD1-CD1 3.41Å; Y88-L95 VanDerWaalsContact CD1-CD1 3.41Å; Y88-L95 HydrophobicContact CD1-CD2 4.2Å; Y88-L95 HydrophobicContact CD1-CG 3.5Å; Y88-L95 HydrophobicContact CE1-CD1 4.14Å; Y88-L95 HydrophobicContact CE1-CD2 4.09Å; Y88-L95 HydrophobicContact CE1-CG 3.74Å; Y88-L95 HydrophobicContact CG-CD1 3.92Å; Y88-L95 HydrophobicContact CG-CG 4.43Å; Y88-L99 WeakPolarHBondContact O-CG 3.45Å; Y88-L99 PolarHBondContact O-N 2.92Å
89	Y	92.8	Very high	89.1	Confident	92 Å²	92	52.9 Å²	52.9	36%	0.361	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-17.4	159.4	-80.5	-77.8	0	0	0	112.6	F30 V85 E86 A87 H98 L99	F30-Y89 HydrophobicContact CE1-CE1 4.16Å; F30-Y89 AromaticContact CZ-CZ 3.97Å; V85-Y89 HydrophobicContact CG1-CD2 4.29Å; V85-Y89 HydrophobicContact CG1-CE2 3.7Å; V85-Y89 WeakPolarHBondContact O-CD2 3.42Å; V85-Y89 PolarHBondContact O-N 2.98Å; E86-Y89 PolarHBondContact O-N 3.33Å; A87-Y89 PolarHBondContact O-N 3.1Å; Y89-H98 PolarHBondContact O-CD2 3.22Å; Y89-L99 HydrophobicContact CD1-CB 4.16Å; Y89-L99 WeakPolarHBondContact CD1-O 3.27Å; Y89-L99 HydrophobicContact CE1-CB 4.38Å; Y89-L99 HydrophobicContact CG-CB 4.39Å
90	N	87.4	Confident	89.3	Confident	92 Å²	92	51.5 Å²	51.5	49%	0.492	27%	0.269	S	S	.	.	S	Bend	trans	-82.2	139.6	179	-66	-85.6	0	0	0	112.2	A87 Y88 M93 H98	A87-N90 WeakPolarHBondContact O-CB 3.46Å; A87-N90 PolarHBondContact O-N 2.89Å; A87-N90 PolarHBondContact O-ND2 2.9Å; Y88-N90 PolarHBondContact O-N 3.34Å; N90-M93 HydrophobicContact CB-CG 4.02Å; N90-M93 WeakPolarHBondContact O-CG 3.5Å; N90-H98 WeakPolarHBondContact O-CB 3.44Å
91	P	85.3	Confident	89.7	Confident	71 Å²	71	50 Å²	50	46%	0.461	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	158.4	175.2	28.9	-35.5	0	0	0	112.6	M93	P91-M93 VanDerWaalsContact C-N 3.28Å; P91-M93 PolarHBondContact O-N 3.41Å
92	N	80.1	Confident	89.9	Confident	163 Å²	163	51.3 Å²	51.3	87%	0.872	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.2	24.1	176.5	-52.4	-13.1	0	0	0	115.2	G94	N92-G94 VanDerWaalsContact C-N 3.35Å
93	M	83.3	Confident	89.9	Confident	21 Å²	21	49.8 Å²	49.8	10%	0.103	26%	0.258	C	S	.	.	S	Bend	trans	-84.4	1.4	179.2	-71.7	-72.4	-67.5	0	0	114.7	A87 Y88 N90 P91	A87-M93 HydrophobicContact CB-CE 4.01Å; Y88-M93 HydrophobicContact CD1-CB 3.56Å; Y88-M93 HydrophobicContact CD1-CG 4.46Å; Y88-M93 HydrophobicContact CE1-CB 3.61Å; Y88-M93 HydrophobicContact CE1-CE 4.41Å; Y88-M93 WeakPolarHBondContact CE1-O 3.46Å; N90-M93 HydrophobicContact CB-CG 4.02Å; N90-M93 WeakPolarHBondContact O-CG 3.5Å; P91-M93 VanDerWaalsContact C-N 3.28Å; P91-M93 PolarHBondContact O-N 3.41Å
94	G	81	Confident	89.5	Confident	9 Å²	9	53.6 Å²	53.6	9%	0.093	28%	0.275	C	S	.	.	S	Bend	trans	97.9	5.6	178.7	0	0	0	0	0	116.1	S70 N92	S70-G94 PolarHBondContact N-O 3.46Å; N92-G94 VanDerWaalsContact C-N 3.35Å
95	L	89.9	Confident	88.8	Confident	23 Å²	23	58 Å²	58	12%	0.12	29%	0.292	C	S	.	.	S	Bend	trans	-89	159.1	162.6	-55	-178.9	0	0	0	110.3	L44 Y55 V67 Y88 T97 L99	L44-L95 HydrophobicContact CD2-CD1 3.99Å; L44-L95 HydrophobicContact CD2-CD2 4.24Å; Y55-L95 HydrophobicContact CD1-CD2 3.74Å; Y55-L95 HydrophobicContact CD2-CD2 3.69Å; Y55-L95 HydrophobicContact CE1-CD2 3.82Å; Y55-L95 HydrophobicContact CE2-CB 4.44Å; Y55-L95 HydrophobicContact CE2-CD2 3.77Å; Y55-L95 HydrophobicContact CG-CD2 3.67Å; V67-L95 HydrophobicContact CG1-CD2 4.28Å; Y88-L95 HydrophobicContact CD1-CD1 3.41Å; Y88-L95 VanDerWaalsContact CD1-CD1 3.41Å; Y88-L95 HydrophobicContact CD1-CD2 4.2Å; Y88-L95 HydrophobicContact CD1-CG 3.5Å; Y88-L95 HydrophobicContact CE1-CD1 4.14Å; Y88-L95 HydrophobicContact CE1-CD2 4.09Å; Y88-L95 HydrophobicContact CE1-CG 3.74Å; Y88-L95 HydrophobicContact CG-CD1 3.92Å; Y88-L95 HydrophobicContact CG-CG 4.43Å; L95-T97 WeakPolarHBondContact CB-O 3.34Å; L95-T97 PolarHBondContact O-N 2.89Å; L95-L99 HydrophobicContact CD1-CD2 3.82Å; L95-L99 HydrophobicContact CD1-CG 4.2Å
96	V	88.8	Confident	87.6	Confident	51 Å²	51	62.4 Å²	62.4	31%	0.309	31%	0.312	S	S	.	.	S	Bend	trans	-60.9	-32.3	177.8	70.3	0	0	0	0	112.8	Y48 Y53 Y55	Y48-V96 HydrophobicContact CD1-CB 4.44Å; Y48-V96 HydrophobicContact CD1-CG1 4.26Å; Y48-V96 HydrophobicContact CD1-CG2 3.44Å; Y48-V96 VanDerWaalsContact CD1-CG2 3.44Å; Y48-V96 HydrophobicContact CE1-CG2 3.94Å; Y48-V96 HydrophobicContact CG-CG1 4.17Å; Y48-V96 HydrophobicContact CG-CG2 4.17Å; Y53-V96 HydrophobicContact CD1-CB 4.31Å; Y53-V96 HydrophobicContact CD1-CG1 4.24Å; Y53-V96 HydrophobicContact CD1-CG2 4.48Å; Y53-V96 HydrophobicContact CD2-CB 4.47Å; Y53-V96 HydrophobicContact CD2-CG1 3.67Å; Y53-V96 HydrophobicContact CE1-CB 4.41Å; Y53-V96 HydrophobicContact CE1-CG2 4.09Å; Y53-V96 HydrophobicContact CE2-CG1 4.05Å; Y53-V96 HydrophobicContact CE2-CG2 4.14Å; Y53-V96 HydrophobicContact CG-CB 4.34Å; Y53-V96 HydrophobicContact CG-CG1 3.76Å; Y55-V96 WeakPolarHBondContact OH-CB 3.29Å; Y55-V96 PolarHBondContact OH-N 2.76Å
97	T	92.4	Very high	85.8	Confident	19 Å²	19	63.5 Å²	63.5	12%	0.117	32%	0.318	C	S	.	.	S	Bend	trans	-145.8	159	165.5	-175.1	0	0	0	0	108.1	V46 Y48 L95	V46-T97 HydrophobicContact CG1-CG2 3.82Å; Y48-T97 HydrophobicContact CD2-CG2 3.75Å; Y48-T97 HydrophobicContact CG-CG2 4.13Å; L95-T97 WeakPolarHBondContact CB-O 3.34Å; L95-T97 PolarHBondContact O-N 2.89Å
98	H	92.1	Very high	83.6	Confident	64 Å²	64	71.6 Å²	71.6	30%	0.296	35%	0.352	S	S	.	.			trans	-71.8	155.1	171.2	57.3	-75.2	0	0	0	110.7	Y89 N90 Q100	Y89-H98 PolarHBondContact O-CD2 3.22Å; N90-H98 WeakPolarHBondContact O-CB 3.44Å; H98-Q100 PolarHBondContact CE1-NE2 3.42Å; H98-Q100 VanDerWaalsContact CE1-NE2 3.31Å; H98-Q100 PolarHBondContact NE2-NE2 2.84Å; H98-Q100 VanDerWaalsContact NE2-NE2 3.17Å
99	L	95.5	Very high	80.8	Confident	1 Å²	1	76 Å²	76	1%	0.005	39%	0.389	C	S	.	.			trans	-64.6	139	175	-51.6	-176.2	0	0	0	109.1	F30 L44 V46 V85 Y88 Y89 L95	F30-L99 HydrophobicContact CB-CD2 3.77Å; F30-L99 HydrophobicContact CD1-CB 3.75Å; F30-L99 HydrophobicContact CD1-CD2 4.16Å; F30-L99 HydrophobicContact CD1-CG 4.36Å; F30-L99 HydrophobicContact CD2-CD1 3.99Å; F30-L99 HydrophobicContact CD2-CD2 4.08Å; F30-L99 HydrophobicContact CD2-CG 4.42Å; F30-L99 HydrophobicContact CE1-CB 3.76Å; F30-L99 HydrophobicContact CE2-CD1 3.92Å; F30-L99 HydrophobicContact CG-CB 4.18Å; F30-L99 HydrophobicContact CG-CD1 4.34Å; F30-L99 HydrophobicContact CG-CD2 3.74Å; F30-L99 HydrophobicContact CG-CG 4.28Å; F30-L99 HydrophobicContact CZ-CB 4.19Å; F30-L99 HydrophobicContact CZ-CD1 4.2Å; L44-L99 HydrophobicContact CD1-CD1 4.39Å; L44-L99 HydrophobicContact CD1-CD2 4.03Å; L44-L99 HydrophobicContact CD2-CD2 4.38Å; V46-L99 HydrophobicContact CG1-CD2 4.39Å; V46-L99 HydrophobicContact CG2-CD2 3.67Å; V85-L99 HydrophobicContact CG1-CD1 4.19Å; Y88-L99 WeakPolarHBondContact O-CG 3.45Å; Y88-L99 PolarHBondContact O-N 2.92Å; Y89-L99 HydrophobicContact CD1-CB 4.16Å; Y89-L99 WeakPolarHBondContact CD1-O 3.27Å; Y89-L99 HydrophobicContact CE1-CB 4.38Å; Y89-L99 HydrophobicContact CG-CB 4.39Å; L95-L99 HydrophobicContact CD1-CD2 3.82Å; L95-L99 HydrophobicContact CD1-CG 4.2Å
100	Q	91.8	Very high	77.9	Confident	61 Å²	61	80.8 Å²	80.8	29%	0.285	42%	0.415	S	S	.	.			trans	-139.4	-43	-179.9	-66.7	178.4	33.7	0	0	113	G28 H98	G28-Q100 PolarHBondContact O-N 3.04Å; H98-Q100 PolarHBondContact CE1-NE2 3.42Å; H98-Q100 VanDerWaalsContact CE1-NE2 3.31Å; H98-Q100 PolarHBondContact NE2-NE2 2.84Å; H98-Q100 VanDerWaalsContact NE2-NE2 3.17Å
101	Y	93.9	Very high	75.4	Confident	73 Å²	73	85.7 Å²	85.7	29%	0.286	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	100.3	-171.5	-46.2	-66.9	0	0	0	110.4	R26 D27 G28 S29 F30 V103	R26-Y101 HydrophobicContact CG-CD2 3.77Å; R26-Y101 HydrophobicContact CG-CE2 3.77Å; R26-Y101 PolarHBondContact NH2-OH 3.01Å; D27-Y101 VanDerWaalsContact O-CE2 3.26Å; D27-Y101 WeakPolarHBondContact O-CE2 3.49Å; G28-Y101 PolarHBondContact O-N 3.37Å; S29-Y101 CarbonylContact C-O 3.56Å; S29-Y101 VanDerWaalsContact CA-O 3.24Å; S29-Y101 WeakPolarHBondContact CA-O 3.49Å; F30-Y101 WeakPolarHBondContact CD1-O 3.31Å; F30-Y101 PolarHBondContact N-O 3.28Å; Y101-V103 PolarHBondContact O-N 2.71Å
102	P	93.4	Very high	72.7	Confident	47 Å²	47	91.6 Å²	91.6	31%	0.305	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	120.6	175	27.2	-33.8	0	0	0	109.4	W7 F30 Q104	W7-P102 HydrophobicContact CB-CB 3.76Å; W7-P102 HydrophobicContact CG-CB 4.42Å; F30-P102 HydrophobicContact CE1-CB 3.92Å; F30-P102 HydrophobicContact CZ-CB 3.88Å; P102-Q104 PolarHBondContact O-N 3.15Å
103	V	92.6	Very high	70.2	Confident	19 Å²	19	92.7 Å²	92.7	12%	0.115	46%	0.456	C	S	.	.	P	Polyproline II helix	trans	-72.7	119.5	172.1	179.3	0	0	0	0	107.5	H9 L20 L21 A24 F30 L31 Y101	H9-V103 PolarHBondContact NE2-O 2.93Å; L20-V103 HydrophobicContact CB-CG1 4.3Å; L21-V103 HydrophobicContact CD2-CG2 3.72Å; A24-V103 HydrophobicContact CB-CG2 3.97Å; F30-V103 PolarHBondContact O-N 3.39Å; L31-V103 HydrophobicContact CB-CB 4.48Å; L31-V103 HydrophobicContact CD2-CB 4.43Å; Y101-V103 PolarHBondContact O-N 2.71Å
104	Q	83.9	Confident	67.6	Low	148 Å²	148	99.8 Å²	99.8	69%	0.692	49%	0.489	S	S	*	.	P	Polyproline II helix	trans	-69	144.8	178.7	-69.6	179.9	-29.2	0	0	111.1	P6 H9 P102	P6-Q104 HydrophobicContact CB-CG 4.38Å; P6-Q104 WeakPolarHBondContact O-CA 3.41Å; H9-Q104 PolarHBondContact CE1-O 2.82Å; P102-Q104 PolarHBondContact O-N 3.15Å
105	R	76.3	Confident	65	Low	94 Å²	94	103.6 Å²	103.6	36%	0.355	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-59.1	133.8	164.2	-171	-178.3	-171.6	137.4	1.4	109.1	P6 H9 D10 E107	P6-R105 PolarHBondContact O-N 2.66Å; H9-R105 VanDerWaalsContact CE1-CA 3.47Å; H9-R105 WeakPolarHBondContact CE1-CA 3.47Å; H9-R105 PolarHBondContact CE1-N 2.59Å; D10-R105 IonicContact OD1-NH1 2.74Å; D10-R105 IonicContact OD2-CZ 2.7Å; D10-R105 IonicContact OD2-NH1 3.71Å; D10-R105 PolarHBondContact OD2-NH1 3.39Å; D10-R105 IonicContact OD2-NH2 2.79Å; D10-R105 PolarHBondContact OD2-NH2 3.1Å; R105-E107 PolarHBondContact O-N 3.08Å; R105-E107 VanDerWaalsContact O-N 3.13Å
106	E	67.7	Low	62	Low	94 Å²	94	108.7 Å²	108.7	44%	0.439	54%	0.542	S	S	.	.			trans	-67.3	104.8	165.2	-69.6	168.3	153.7	0	0	106.3	K16 L20 K23 E108	K16-E106 IonicContact NZ-OE2 3.59Å; K16-E106 PolarHBondContact NZ-OE2 3.44Å; L20-E106 HydrophobicContact CD2-CG 4.25Å; K23-E106 IonicContact NZ-OE1 3.8Å; K23-E106 PolarHBondContact NZ-OE1 3.06Å; E106-E108 PolarHBondContact O-N 2.96Å
107	E	52.5	Low	59.1	Low	168 Å²	168	112 Å²	112	79%	0.785	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-70.3	123.3	171.8	-74.4	-179.5	157.5	0	0	108.6	R105 A109	R105-E107 PolarHBondContact O-N 3.08Å; R105-E107 VanDerWaalsContact O-N 3.13Å; E107-A109 PolarHBondContact O-N 2.96Å
108	E	42.9	Very low	56.1	Low	189 Å²	189	118.7 Å²	118.7	88%	0.883	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-70.6	119.2	174.4	-66.5	-178.4	148.5	0	0	108.3	E106 E110	E106-E108 PolarHBondContact O-N 2.96Å; E108-E110 PolarHBondContact O-N 2.68Å
109	A	33.1	Very low	53.9	Low	96 Å²	96	120.9 Å²	120.9	79%	0.793	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-69.2	131	177.7	0	0	0	0	0	109.8	E107 E111	E107-A109 PolarHBondContact O-N 2.96Å; A109-E111 PolarHBondContact O-N 3.4Å; A109-E111 VanDerWaalsContact O-N 3.1Å
110	E	32.6	Very low	51.9	Low	194 Å²	194	125.8 Å²	125.8	91%	0.907	65%	0.653	S	S	*	*			trans	-66.6	105.3	178.4	-62	174.7	133.8	0	0	110.2	E108	E108-E110 PolarHBondContact O-N 2.68Å
111	E	33.6	Very low	48.8	Very low	194 Å²	194	131.7 Å²	131.7	91%	0.907	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-94	132.5	153.2	-70.7	-167.9	158	0	0	108.2	A109	A109-E111 PolarHBondContact O-N 3.4Å; A109-E111 VanDerWaalsContact O-N 3.1Å
112	E	29	Very low	46.2	Very low	196 Å²	196	135.9 Å²	135.9	92%	0.916	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-75.3	160.8	-162	-65.1	-179.9	118.8	0	0	114.6
113	Q	28.2	Very low	44.1	Very low	186 Å²	186	139.2 Å²	139.2	87%	0.869	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-67.8	158.9	176.4	-63.4	168.3	-0.7	0	0	110.4
114	E	27.5	Very low	42.2	Very low	170 Å²	170	143.3 Å²	143.3	79%	0.794	76%	0.756	S	S	*	*			cis	-138.2	141.8	38.6	-73	-172.7	127.1	0	0	112.1
115	S	28.4	Very low	39.5	Very low	89 Å²	89	147.7 Å²	147.7	62%	0.622	77%	0.766	S	S	*	*				70.3	141.7	82.1	120.4	0	0	0	0	114.6
116	N	26.4	Very low	37.5	Very low	130 Å²	130	149.9 Å²	149.9	70%	0.695	79%	0.785	S	S	*	*			cis	-157.7	142.8	8.2	-133.2	-40.6	0	0	0	112.6
117	S	26.3	Very low	35.5	Very low	120 Å²	120	155.2 Å²	155.2	84%	0.839	81%	0.807	S	S	*	*			trans	-178.5	114.4	141.1	27.6	0	0	0	0	111.7
118	L	29.8	Very low	34.3	Very low	160 Å²	160	154.7 Å²	154.7	84%	0.838	81%	0.809	S	S	*	*			trans	-97.4	159.2	171.9	-81.4	165.7	0	0	0	111.5
119	P	47.1	Very low	33.5	Very low	109 Å²	109	149.1 Å²	149.1	71%	0.708	80%	0.795	S	S	*	*			trans	-92.7	-154.3	176.3	44.3	-39.9	0	0	0	109.5
120	P	53.5	Low	33.2	Very low	105 Å²	105	152.2 Å²	152.2	68%	0.682	80%	0.798	S	S	*	*			cis	-140.4	-165.3	-7	41.7	-21.3	0	0	0	115.9
121	Q	26.8	Very low	33	Very low	185 Å²	185	146.8 Å²	146.8	86%	0.864	79%	0.787	S	S	*	*			trans	85.6	173.5	152.7	-74.1	-175.9	28.2	0	0	121.9
122	L	38.5	Very low	32.7	Very low	161 Å²	161	145.1 Å²	145.1	84%	0.843	78%	0.776	S	S	*	*			trans	-142.1	177.9	-160.4	-63.8	165.8	0	0	0	108.5
123	P	48.8	Very low	32.7	Very low	117 Å²	117	143.2 Å²	143.2	76%	0.76	77%	0.768	S	S	*	*			cis	-125.9	-130.2	-22.2	35.4	-13	0	0	0	110
124	P	53.3	Low	32.7	Very low	105 Å²	105	140 Å²	140	68%	0.682	77%	0.765	S	S	*	*				-117.2	-176.3	-67.7	34.3	-17.3	0	0	0	115.2
125	R	26.6	Very low	33.1	Very low	239 Å²	239	140 Å²	140	90%	0.902	77%	0.765	S	S	*	*			trans	96.7	145.9	155.1	-69	-179.5	174.4	165.7	-0.9	120.7
126	N	34.4	Very low	33.1	Very low	140 Å²	140	142.1 Å²	142.1	75%	0.749	78%	0.775	S	S	*	*			trans	-62.6	159.6	-176.4	-38.5	-10.5	0	0	0	114.9
127	F	25.4	Very low	33.4	Very low	207 Å²	207	144.9 Å²	144.9	91%	0.908	78%	0.781	S	S	*	*				-155.8	168.4	119	-100.8	-66.4	0	0	0	111.5
128	L	27.6	Very low	34.2	Very low	157 Å²	157	146 Å²	146	82%	0.822	78%	0.782	S	S	*	*			trans	-87.6	-179.7	178.5	-64	77.8	0	0	0	109.6
129	A	25.8	Very low	34.3	Very low	72 Å²	72	144.4 Å²	144.4	60%	0.595	78%	0.784	S	S	*	*			cis	-161.4	175.4	18.4	0	0	0	0	0	112.7
130	D	27.7	Very low	34.2	Very low	160 Å²	160	148 Å²	148	86%	0.856	79%	0.792	S	S	*	*			trans	45.5	147.3	138.1	-61.8	-13.1	0	0	0	122.8
131	A	27.7	Very low	33.5	Very low	81 Å²	81	152.5 Å²	152.5	67%	0.669	80%	0.804	S	S	*	*			cis	-172.5	169.5	-15.5	0	0	0	0	0	110.4
132	K	27.2	Very low	34.1	Very low	158 Å²	158	148.3 Å²	148.3	69%	0.687	80%	0.801	S	S	*	*			trans	69.4	124.3	161.9	-72.5	-179.4	158.6	-73.8	0	117.7
133	E	30	Very low	34.4	Very low	157 Å²	157	147.1 Å²	147.1	73%	0.734	80%	0.8	S	S	*	*				70.7	132.8	104.3	-62.2	158	-171.4	0	0	113.7
134	S	28.2	Very low	34.8	Very low	117 Å²	117	150.6 Å²	150.6	82%	0.818	80%	0.804	S	S	*	*			cis	-146.3	170	32.3	-168.8	0	0	0	0	114.8
135	E	35.4	Very low	35.8	Very low	171 Å²	171	148 Å²	148	80%	0.799	79%	0.787	S	S	*	*			trans	-66.1	156.6	-166.8	-47.5	173.9	137.9	0	0	117.3
136	T	29.3	Very low	38.2	Very low	133 Å²	133	140.3 Å²	140.3	82%	0.816	76%	0.764	S	S	*	*				-162.6	119.4	129.8	1.5	0	0	0	0	115.1
137	K	31.7	Very low	40.5	Very low	189 Å²	189	134.1 Å²	134.1	82%	0.822	73%	0.731	S	S	*	*			trans	42	92.1	147.7	-63.3	179.3	-179.3	178.4	0	120.7
138	T	42.8	Very low	43.2	Very low	142 Å²	142	127.7 Å²	127.7	87%	0.871	71%	0.707	S	S	*	*			trans	28.2	107.6	131.2	56.6	0	0	0	0	120.2
139	S	33.5	Very low	45.8	Very low	127 Å²	127	124.1 Å²	124.1	89%	0.888	69%	0.687	S	S	*	*			trans	-157.3	163.8	135.7	-161.6	0	0	0	0	110.1
140	E	43.5	Very low	48.6	Very low	185 Å²	185	124.4 Å²	124.4	86%	0.864	67%	0.673	S	S	*	*			trans	-79.7	148.7	-174.6	-57.9	168.7	124.1	0	0	112.7
141	Q	38.8	Very low	51.3	Low	200 Å²	200	119 Å²	119	94%	0.935	64%	0.644	S	S	*	*			trans	-143.3	128.5	160.3	-110.4	176.1	9.5	0	0	111.6
142	A	39.3	Very low	53.9	Low	96 Å²	96	119.8 Å²	119.8	79%	0.793	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-82.9	144.8	-155.9	0	0	0	0	0	115.6
143	T	45.2	Very low	56.5	Low	136 Å²	136	118.6 Å²	118.6	83%	0.834	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-62.3	128.1	150.7	48	0	0	0	0	109.5	S145	T143-S145 PolarHBondContact O-N 2.69Å
144	K	57.7	Low	59	Low	191 Å²	191	112.1 Å²	112.1	83%	0.83	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-59.7	137.7	173.9	-67.8	-175.2	177.2	-177.2	0	110.4
145	S	74	Confident	61.5	Low	49 Å²	49	113.3 Å²	113.3	34%	0.343	59%	0.589	S	S	.	*	P	Polyproline II helix	trans	-69.1	151.3	179.9	-174.4	0	0	0	0	111.1	T143 S147 D148 M149	T143-S145 PolarHBondContact O-N 2.69Å; S145-S147 PolarHBondContact O-N 2.59Å; S145-S147 PolarHBondContact OG-N 2.81Å; S145-D148 VanDerWaalsContact CB-OD2 3.28Å; S145-D148 WeakPolarHBondContact CB-OD2 3.49Å; S145-D148 PolarHBondContact N-OD2 3.31Å; S145-D148 WeakPolarHBondContact O-CB 3.28Å; S145-D148 PolarHBondContact O-N 3.49Å; S145-D148 VanDerWaalsContact O-N 3.09Å; S145-M149 PolarHBondContact O-N 3.06Å
146	L	77.9	Confident	63.5	Low	79 Å²	79	112.9 Å²	112.9	41%	0.414	59%	0.586	S	S	.	*	H	α-helix	trans	-60.7	-32.3	172.5	-160.2	145.1	0	0	0	110.5	Y150 I178	L146-Y150 HydrophobicContact CD2-CD2 3.94Å; L146-Y150 HydrophobicContact CD2-CE2 3.79Å; L146-Y150 HydrophobicContact CG-CE2 4.46Å; L146-Y150 WeakPolarHBondContact O-CD2 3.09Å; L146-Y150 PolarHBondContact O-N 3.28Å; L146-I178 HydrophobicContact CD2-CD1 3.72Å; L146-I178 HydrophobicContact CD2-CG1 3.79Å; L146-I178 HydrophobicContact CD2-CG2 4.36Å
147	S	82.4	Confident	65.9	Low	9 Å²	9	112.4 Å²	112.4	6%	0.063	58%	0.576	C	S	.	*	H	α-helix	trans	-55.6	-53	168.4	176	0	0	0	0	112.6	S145 M149 Y150 L151 F174 R175	S145-S147 PolarHBondContact O-N 2.59Å; S145-S147 PolarHBondContact OG-N 2.81Å; S147-M149 VanDerWaalsContact C-N 3.29Å; S147-M149 PolarHBondContact O-N 2.86Å; S147-Y150 PolarHBondContact O-N 2.91Å; S147-Y150 VanDerWaalsContact O-N 3.17Å; S147-L151 WeakPolarHBondContact O-CG 3.31Å; S147-L151 PolarHBondContact O-N 2.87Å; S147-F174 WeakPolarHBondContact CA-O 3.46Å; S147-F174 WeakPolarHBondContact CB-O 3.41Å; S147-F174 PolarHBondContact OG-O 3.01Å; S147-R175 WeakPolarHBondContact OG-CA 3.45Å; S147-R175 PolarHBondContact OG-O 3.39Å
148	D	80.4	Confident	68.1	Low	73 Å²	73	109.7 Å²	109.7	39%	0.39	57%	0.571	S	S	.	*	H	α-helix	trans	-57.3	-41.3	-178	-53.1	-32.2	0	0	0	112	S145 Y150 M152	S145-D148 VanDerWaalsContact CB-OD2 3.28Å; S145-D148 WeakPolarHBondContact CB-OD2 3.49Å; S145-D148 PolarHBondContact N-OD2 3.31Å; S145-D148 WeakPolarHBondContact O-CB 3.28Å; S145-D148 PolarHBondContact O-N 3.49Å; S145-D148 VanDerWaalsContact O-N 3.09Å; D148-Y150 PolarHBondContact O-N 3Å; D148-M152 VanDerWaalsContact O-CB 3.31Å; D148-M152 WeakPolarHBondContact O-CB 3.29Å; D148-M152 WeakPolarHBondContact O-CG 3.18Å; D148-M152 PolarHBondContact O-N 2.66Å
149	M	83.5	Confident	69.9	Low	81 Å²	81	104.4 Å²	104.4	40%	0.399	54%	0.537	S	S	.	.	H	α-helix	trans	-62.7	-42.7	-179.6	-178.1	-178.9	63.2	0	0	112.3	S145 S147 R153	S145-M149 PolarHBondContact O-N 3.06Å; S147-M149 VanDerWaalsContact C-N 3.29Å; S147-M149 PolarHBondContact O-N 2.86Å; M149-R153 WeakPolarHBondContact O-CG 3.16Å; M149-R153 PolarHBondContact O-N 3.49Å
150	Y	83.6	Confident	72	Confident	79 Å²	79	103.1 Å²	103.1	31%	0.31	53%	0.528	S	S	.	.	H	α-helix	trans	-77.9	-37.6	179.7	-78.4	-81.3	0	0	0	112.3	L146 S147 D148 M152 R153 L154 F174 I178	L146-Y150 HydrophobicContact CD2-CD2 3.94Å; L146-Y150 HydrophobicContact CD2-CE2 3.79Å; L146-Y150 HydrophobicContact CG-CE2 4.46Å; L146-Y150 WeakPolarHBondContact O-CD2 3.09Å; L146-Y150 PolarHBondContact O-N 3.28Å; S147-Y150 PolarHBondContact O-N 2.91Å; S147-Y150 VanDerWaalsContact O-N 3.17Å; D148-Y150 PolarHBondContact O-N 3Å; Y150-M152 VanDerWaalsContact C-N 3.33Å; Y150-M152 PolarHBondContact O-N 3.3Å; Y150-R153 PolarHBondContact O-N 2.85Å; Y150-L154 PolarHBondContact O-N 3.35Å; Y150-F174 HydrophobicContact CD1-CD1 4.06Å; Y150-F174 AromaticContact CD1-CE1 3.61Å; Y150-F174 HydrophobicContact CD1-CE1 3.61Å; Y150-F174 HydrophobicContact CD1-CZ 4.25Å; Y150-F174 HydrophobicContact CD2-CD1 4.44Å; Y150-F174 HydrophobicContact CE1-CE1 4.31Å; Y150-F174 AromaticContact CG-CD1 3.72Å; Y150-F174 HydrophobicContact CG-CD1 3.72Å; Y150-F174 AromaticContact CG-CE1 3.76Å; Y150-F174 HydrophobicContact CG-CE1 3.76Å; Y150-I178 HydrophobicContact CD2-CD1 3.64Å; Y150-I178 HydrophobicContact CE2-CD1 3.8Å; Y150-I178 HydrophobicContact CG-CD1 4.17Å
151	L	84.6	Confident	73.5	Confident	45 Å²	45	99 Å²	99	24%	0.236	53%	0.526	C	S	.	.	H	α-helix	trans	-61.8	-40.3	173.5	-70.4	175.4	0	0	0	111.9	S147 R153 L154 Q155 F174 R175	S147-L151 WeakPolarHBondContact O-CG 3.31Å; S147-L151 PolarHBondContact O-N 2.87Å; L151-R153 PolarHBondContact O-N 2.85Å; L151-L154 PolarHBondContact O-N 2.83Å; L151-Q155 PolarHBondContact O-N 2.75Å; L151-F174 HydrophobicContact CD2-CB 3.99Å; L151-F174 HydrophobicContact CG-CB 4.33Å; L151-R175 HydrophobicContact CD1-CB 4.26Å; L151-R175 HydrophobicContact CD1-CG 4.29Å
152	M	81.8	Confident	75.4	Confident	99 Å²	99	93.2 Å²	93.2	49%	0.488	50%	0.501	S	S	.	.	H	α-helix	trans	-62.6	-39.7	174.4	-73.5	-94.9	70.9	0	0	112.5	D148 Y150 H156	D148-M152 VanDerWaalsContact O-CB 3.31Å; D148-M152 WeakPolarHBondContact O-CB 3.29Å; D148-M152 WeakPolarHBondContact O-CG 3.18Å; D148-M152 PolarHBondContact O-N 2.66Å; Y150-M152 VanDerWaalsContact C-N 3.33Å; Y150-M152 PolarHBondContact O-N 3.3Å; M152-H156 PolarHBondContact O-ND1 2.96Å
153	R	82.8	Confident	77.6	Confident	133 Å²	133	91.3 Å²	91.3	50%	0.502	48%	0.482	S	S	.	.	H	α-helix	trans	-65	-42.1	173.2	-70.8	175.2	-173.2	168.9	3.9	111.5	M149 Y150 L151 Q155 H156	M149-R153 WeakPolarHBondContact O-CG 3.16Å; M149-R153 PolarHBondContact O-N 3.49Å; Y150-R153 PolarHBondContact O-N 2.85Å; L151-R153 PolarHBondContact O-N 2.85Å; R153-Q155 PolarHBondContact O-N 2.73Å; R153-H156 PolarHBondContact O-N 3.36Å
154	L	83.4	Confident	79.3	Confident	20 Å²	20	92 Å²	92	11%	0.105	48%	0.476	C	S	.	.	H	α-helix	trans	-61.8	-31	-178.3	-149.9	82.6	0	0	0	112.8	Y150 L151 H156 M157 L159 V170 Q171 F174	Y150-L154 PolarHBondContact O-N 3.35Å; L151-L154 PolarHBondContact O-N 2.83Å; L154-H156 PolarHBondContact O-N 2.87Å; L154-M157 PolarHBondContact O-N 3.2Å; L154-L159 HydrophobicContact CD2-CD1 4.26Å; L154-L159 HydrophobicContact CG-CD1 4.19Å; L154-V170 HydrophobicContact CD1-CG1 3.98Å; L154-V170 HydrophobicContact CD2-CG1 4.22Å; L154-Q171 HydrophobicContact CD2-CG 3.52Å; L154-F174 HydrophobicContact CD1-CD2 4.13Å; L154-F174 HydrophobicContact CD1-CE2 3.98Å
155	Q	79.1	Confident	80.6	Confident	142 Å²	142	87.5 Å²	87.5	66%	0.664	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-17	174.5	-70.8	178.7	7.4	0	0	114.2	L151 R153	L151-Q155 PolarHBondContact O-N 2.75Å; R153-Q155 PolarHBondContact O-N 2.73Å
156	H	77.1	Confident	81.1	Confident	162 Å²	162	86.8 Å²	86.8	75%	0.75	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	10.8	178.8	-64.3	80.3	0	0	0	112.7	M152 R153 L154	M152-H156 PolarHBondContact O-ND1 2.96Å; R153-H156 PolarHBondContact O-N 3.36Å; L154-H156 PolarHBondContact O-N 2.87Å
157	M	80.6	Confident	81.4	Confident	123 Å²	123	85.9 Å²	85.9	61%	0.606	44%	0.443	S	S	*	.	S	Bend	trans	-111.2	141.9	177.3	-58.8	-173.7	79.7	0	0	110	L154 L159	L154-M157 PolarHBondContact O-N 3.2Å; M157-L159 HydrophobicContact CB-CD2 4.38Å; M157-L159 PolarHBondContact O-N 3.37Å
158	D	78.1	Confident	81.6	Confident	133 Å²	133	91.1 Å²	91.1	71%	0.711	47%	0.467	S	S	*	.			trans	-72.4	120	169.9	-175.6	3.4	0	0	0	109.6	S160	D158-S160 VanDerWaalsContact CG-OG 3.3Å; D158-S160 WeakPolarHBondContact OD1-CB 3.23Å; D158-S160 PolarHBondContact OD1-N 3.2Å; D158-S160 PolarHBondContact OD1-OG 3.24Å; D158-S160 PolarHBondContact OD2-OG 3.44Å
159	L	80.2	Confident	81.9	Confident	31 Å²	31	88.9 Å²	88.9	16%	0.162	46%	0.459	C	S	.	.			trans	-109.8	3.9	-179.8	-56.4	175.7	0	0	0	112.3	L154 M157 A161 L162 Q167	L154-L159 HydrophobicContact CD2-CD1 4.26Å; L154-L159 HydrophobicContact CG-CD1 4.19Å; M157-L159 HydrophobicContact CB-CD2 4.38Å; M157-L159 PolarHBondContact O-N 3.37Å; L159-A161 PolarHBondContact O-N 3.29Å; L159-A161 VanDerWaalsContact O-N 3.11Å; L159-L162 HydrophobicContact CB-CD1 4.5Å; L159-L162 HydrophobicContact CD2-CD1 4.04Å; L159-L162 WeakPolarHBondContact O-CB 3.29Å; L159-L162 PolarHBondContact O-N 2.94Å; L159-Q167 HydrophobicContact CB-CG 4.47Å; L159-Q167 HydrophobicContact CD1-CG 4.11Å
160	S	77.6	Confident	82.1	Confident	100 Å²	100	86.4 Å²	86.4	70%	0.699	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-19.9	-175.4	63.6	0	0	0	0	114.6	D158 L162	D158-S160 VanDerWaalsContact CG-OG 3.3Å; D158-S160 WeakPolarHBondContact OD1-CB 3.23Å; D158-S160 PolarHBondContact OD1-N 3.2Å; D158-S160 PolarHBondContact OD1-OG 3.24Å; D158-S160 PolarHBondContact OD2-OG 3.44Å; S160-L162 VanDerWaalsContact C-N 3.34Å
161	A	75.3	Confident	82.3	Confident	99 Å²	99	86.2 Å²	86.2	82%	0.818	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-1.8	174.9	0	0	0	0	0	114.4	L159	L159-A161 PolarHBondContact O-N 3.29Å; L159-A161 VanDerWaalsContact O-N 3.11Å
162	L	79.4	Confident	82.4	Confident	77 Å²	77	87.6 Å²	87.6	40%	0.403	46%	0.456	S	S	.	.	S	Bend	trans	-100.3	152.7	178	-58.8	-179.5	0	0	0	111.6	L159 S160	L159-L162 HydrophobicContact CB-CD1 4.5Å; L159-L162 HydrophobicContact CD2-CD1 4.04Å; L159-L162 WeakPolarHBondContact O-CB 3.29Å; L159-L162 PolarHBondContact O-N 2.94Å; S160-L162 VanDerWaalsContact C-N 3.34Å
163	S	84.4	Confident	82.9	Confident	56 Å²	56	84 Å²	84	39%	0.392	44%	0.437	S	S	.	.			trans	-75.5	152.3	165.6	61.2	0	0	0	0	110.8	E165 H166 Q167	S163-E165 VanDerWaalsContact C-N 3.26Å; S163-E165 PolarHBondContact O-N 3.47Å; S163-H166 PolarHBondContact O-N 2.92Å; S163-H166 PolarHBondContact OG-N 3.32Å; S163-H166 PolarHBondContact OG-ND1 2.65Å; S163-Q167 PolarHBondContact O-N 2.82Å
164	E	81.9	Confident	83.2	Confident	152 Å²	152	79.5 Å²	79.5	71%	0.71	42%	0.421	S	S	*	.	H	α-helix	trans	-56	-38.2	177.8	-61.1	178.9	161.1	0	0	112.5	H166 Q167 M168	E164-H166 VanDerWaalsContact C-N 3.34Å; E164-H166 PolarHBondContact O-N 3.35Å; E164-Q167 PolarHBondContact O-N 3.17Å; E164-M168 WeakPolarHBondContact O-CB 3.48Å; E164-M168 WeakPolarHBondContact O-CG 3.15Å; E164-M168 PolarHBondContact O-N 3.25Å
165	E	83.4	Confident	83.3	Confident	95 Å²	95	85.1 Å²	85.1	44%	0.444	44%	0.441	S	S	.	.	H	α-helix	trans	-59.5	-42.9	174.5	-173.4	-178.9	-173	0	0	111.4	S163 A169 K204	S163-E165 VanDerWaalsContact C-N 3.26Å; S163-E165 PolarHBondContact O-N 3.47Å; E165-A169 VanDerWaalsContact O-CB 3.31Å; E165-A169 WeakPolarHBondContact O-CB 3.46Å; E165-A169 PolarHBondContact O-N 3.11Å; E165-K204 IonicContact OE1-NZ 2.73Å; E165-K204 PolarHBondContact OE1-NZ 3.32Å
166	H	84.8	Confident	83.4	Confident	34 Å²	34	80.6 Å²	80.6	16%	0.157	42%	0.423	C	S	.	.	H	α-helix	trans	-75.2	-39.1	178.9	-64.5	173.6	0	0	0	112	S163 E164 A169 V170 V202	S163-H166 PolarHBondContact O-N 2.92Å; S163-H166 PolarHBondContact OG-N 3.32Å; S163-H166 PolarHBondContact OG-ND1 2.65Å; E164-H166 VanDerWaalsContact C-N 3.34Å; E164-H166 PolarHBondContact O-N 3.35Å; H166-A169 PolarHBondContact O-N 3.06Å; H166-V170 WeakPolarHBondContact O-CG2 3.29Å; H166-V170 PolarHBondContact O-N 3.43Å; H166-V202 HydrophobicContact CB-CG2 4.42Å; H166-V202 PolarHBondContact CE1-O 3.43Å; H166-V202 PolarHBondContact NE2-O 3.15Å
167	Q	85.6	Confident	83.9	Confident	61 Å²	61	73.7 Å²	73.7	29%	0.285	39%	0.393	S	S	.	.	H	α-helix	trans	-61.5	-47.8	176.7	-170.1	-179.1	14.4	0	0	110.9	L159 S163 E164 V170 Q171	L159-Q167 HydrophobicContact CB-CG 4.47Å; L159-Q167 HydrophobicContact CD1-CG 4.11Å; S163-Q167 PolarHBondContact O-N 2.82Å; E164-Q167 PolarHBondContact O-N 3.17Å; Q167-V170 PolarHBondContact O-N 2.93Å; Q167-Q171 WeakPolarHBondContact O-CB 3.49Å; Q167-Q171 VanDerWaalsContact O-CG 3.29Å; Q167-Q171 WeakPolarHBondContact O-CG 3.47Å; Q167-Q171 PolarHBondContact O-N 3.16Å
168	M	86	Confident	84.1	Confident	118 Å²	118	68.5 Å²	68.5	58%	0.581	37%	0.367	S	S	*	.	H	α-helix	trans	-62.9	-40.2	174.1	-74.1	-169	-70.5	0	0	112.2	E164 Q171 E172	E164-M168 WeakPolarHBondContact O-CB 3.48Å; E164-M168 WeakPolarHBondContact O-CG 3.15Å; E164-M168 PolarHBondContact O-N 3.25Å; M168-Q171 PolarHBondContact O-N 3Å; M168-E172 VanDerWaalsContact O-CB 3.28Å; M168-E172 WeakPolarHBondContact O-CB 3.4Å; M168-E172 PolarHBondContact O-N 3.22Å
169	A	86.8	Confident	84.4	Confident	26 Å²	26	63.7 Å²	63.7	22%	0.215	34%	0.344	C	S	.	.	H	α-helix	trans	-62.8	-44.5	177.5	0	0	0	0	0	112.3	E165 H166 E172 Y173 L198	E165-A169 VanDerWaalsContact O-CB 3.31Å; E165-A169 WeakPolarHBondContact O-CB 3.46Å; E165-A169 PolarHBondContact O-N 3.11Å; H166-A169 PolarHBondContact O-N 3.06Å; A169-E172 PolarHBondContact O-N 3.22Å; A169-Y173 PolarHBondContact O-N 2.94Å; A169-L198 VanDerWaalsContact C-CD1 3.49Å; A169-L198 HydrophobicContact CB-CD1 3.85Å; A169-L198 WeakPolarHBondContact O-CD1 3.34Å
170	V	87.6	Confident	84.6	Confident	30 Å²	30	66.9 Å²	66.9	18%	0.182	36%	0.36	C	S	.	.	H	α-helix	trans	-65	-44.8	176.8	171.9	0	0	0	0	111	L154 H166 Q167 Y173 F174 L198	L154-V170 HydrophobicContact CD1-CG1 3.98Å; L154-V170 HydrophobicContact CD2-CG1 4.22Å; H166-V170 WeakPolarHBondContact O-CG2 3.29Å; H166-V170 PolarHBondContact O-N 3.43Å; Q167-V170 PolarHBondContact O-N 2.93Å; V170-Y173 PolarHBondContact O-N 3.36Å; V170-F174 HydrophobicContact CG1-CD2 3.88Å; V170-F174 HydrophobicContact CG1-CE2 3.71Å; V170-F174 VanDerWaalsContact O-CD2 3.23Å; V170-F174 WeakPolarHBondContact O-CD2 3.44Å; V170-F174 PolarHBondContact O-N 3.39Å; V170-F174 VanDerWaalsContact O-N 3.15Å; V170-L198 HydrophobicContact CG2-CD1 3.95Å; V170-L198 HydrophobicContact CG2-CD2 4.43Å
171	Q	87.3	Confident	85	Confident	74 Å²	74	62.3 Å²	62.3	35%	0.346	33%	0.328	S	S	.	.	H	α-helix	trans	-60.8	-45.9	175.7	-76	173.3	-2.3	0	0	111.8	L154 Q167 M168 Y173 F174 R175	L154-Q171 HydrophobicContact CD2-CG 3.52Å; Q167-Q171 WeakPolarHBondContact O-CB 3.49Å; Q167-Q171 VanDerWaalsContact O-CG 3.29Å; Q167-Q171 WeakPolarHBondContact O-CG 3.47Å; Q167-Q171 PolarHBondContact O-N 3.16Å; M168-Q171 PolarHBondContact O-N 3Å; Q171-Y173 PolarHBondContact O-N 2.89Å; Q171-F174 PolarHBondContact O-N 2.86Å; Q171-R175 VanDerWaalsContact O-CB 3.23Å; Q171-R175 WeakPolarHBondContact O-CB 3.37Å; Q171-R175 PolarHBondContact O-N 2.64Å
172	E	88.1	Confident	85.4	Confident	74 Å²	74	59.4 Å²	59.4	35%	0.346	30%	0.304	S	S	.	.	H	α-helix	trans	-64.9	-38.2	179	-178.7	55.9	-154.6	0	0	112.2	M168 A169 R175 T176	M168-E172 VanDerWaalsContact O-CB 3.28Å; M168-E172 WeakPolarHBondContact O-CB 3.4Å; M168-E172 PolarHBondContact O-N 3.22Å; A169-E172 PolarHBondContact O-N 3.22Å; E172-R175 VanDerWaalsContact CD-NH2 3.26Å; E172-R175 PolarHBondContact O-N 3.14Å; E172-R175 IonicContact OE1-CZ 3.54Å; E172-R175 IonicContact OE1-NE 2.7Å; E172-R175 IonicContact OE1-NH2 2.79Å; E172-R175 PolarHBondContact OE1-NH2 3.03Å; E172-R175 IonicContact OE2-CZ 2.65Å; E172-R175 IonicContact OE2-NE 2.93Å; E172-R175 PolarHBondContact OE2-NE 2.9Å; E172-R175 IonicContact OE2-NH2 2.62Å; E172-R175 PolarHBondContact OE2-NH2 3.19Å; E172-T176 PolarHBondContact O-N 3.12Å; E172-T176 PolarHBondContact O-OG1 2.68Å; E172-T176 VanDerWaalsContact O-OG1 3.08Å; E172-T176 WeakPolarHBondContact OE1-CG2 3.42Å; E172-T176 PolarHBondContact OE1-OG1 2.54Å
173	Y	91.1	Very high	85.4	Confident	23 Å²	23	60.8 Å²	60.8	9%	0.09	31%	0.309	C	S	.	.	I	π-helix	trans	-58.7	-49.9	173.6	171.5	-98.9	0	0	0	111.4	A169 V170 Q171 R175 S177 I178 L195 L198	A169-Y173 PolarHBondContact O-N 2.94Å; V170-Y173 PolarHBondContact O-N 3.36Å; Q171-Y173 PolarHBondContact O-N 2.89Å; Y173-R175 VanDerWaalsContact C-N 3.32Å; Y173-R175 PolarHBondContact O-N 3.36Å; Y173-S177 CarbonylContact O-C 3.58Å; Y173-S177 PolarHBondContact O-N 3.4Å; Y173-I178 HydrophobicContact CE1-CB 3.99Å; Y173-I178 HydrophobicContact CE1-CD1 4.19Å; Y173-I178 HydrophobicContact CE1-CG1 4.2Å; Y173-I178 HydrophobicContact CE2-CB 4.45Å; Y173-I178 PolarHBondContact O-N 2.88Å; Y173-L195 HydrophobicContact CE1-CD1 4.34Å; Y173-L195 HydrophobicContact CE2-CB 3.85Å; Y173-L195 HydrophobicContact CE2-CD1 4.44Å; Y173-L195 VanDerWaalsContact CE2-N 3.27Å; Y173-L198 HydrophobicContact CD1-CD2 3.85Å; Y173-L198 HydrophobicContact CD2-CB 4.32Å; Y173-L198 HydrophobicContact CD2-CD2 4.45Å; Y173-L198 HydrophobicContact CG-CB 4.29Å; Y173-L198 HydrophobicContact CG-CD2 3.74Å
174	F	89.6	Confident	85.2	Confident	40 Å²	40	61.3 Å²	61.3	18%	0.175	31%	0.305	C	S	.	.	I	π-helix	trans	-69.2	-29.5	177.5	-71.1	-59.4	0	0	0	113.2	S147 Y150 L151 L154 V170 Q171 I178	S147-F174 WeakPolarHBondContact CA-O 3.46Å; S147-F174 WeakPolarHBondContact CB-O 3.41Å; S147-F174 PolarHBondContact OG-O 3.01Å; Y150-F174 HydrophobicContact CD1-CD1 4.06Å; Y150-F174 AromaticContact CD1-CE1 3.61Å; Y150-F174 HydrophobicContact CD1-CE1 3.61Å; Y150-F174 HydrophobicContact CD1-CZ 4.25Å; Y150-F174 HydrophobicContact CD2-CD1 4.44Å; Y150-F174 HydrophobicContact CE1-CE1 4.31Å; Y150-F174 AromaticContact CG-CD1 3.72Å; Y150-F174 HydrophobicContact CG-CD1 3.72Å; Y150-F174 AromaticContact CG-CE1 3.76Å; Y150-F174 HydrophobicContact CG-CE1 3.76Å; L151-F174 HydrophobicContact CD2-CB 3.99Å; L151-F174 HydrophobicContact CG-CB 4.33Å; L154-F174 HydrophobicContact CD1-CD2 4.13Å; L154-F174 HydrophobicContact CD1-CE2 3.98Å; V170-F174 HydrophobicContact CG1-CD2 3.88Å; V170-F174 HydrophobicContact CG1-CE2 3.71Å; V170-F174 VanDerWaalsContact O-CD2 3.23Å; V170-F174 WeakPolarHBondContact O-CD2 3.44Å; V170-F174 PolarHBondContact O-N 3.39Å; V170-F174 VanDerWaalsContact O-N 3.15Å; Q171-F174 PolarHBondContact O-N 2.86Å; F174-I178 HydrophobicContact CD1-CD1 3.69Å; F174-I178 HydrophobicContact CE1-CD1 3.85Å; F174-I178 WeakPolarHBondContact O-CG2 3.41Å
175	R	85.1	Confident	85.1	Confident	138 Å²	138	57.9 Å²	57.9	52%	0.521	29%	0.294	S	S	.	.	I	π-helix	trans	-70.1	-44.3	179.5	-166.9	-177.6	72	83.8	3.7	112.7	S147 L151 Q171 E172 Y173	S147-R175 WeakPolarHBondContact OG-CA 3.45Å; S147-R175 PolarHBondContact OG-O 3.39Å; L151-R175 HydrophobicContact CD1-CB 4.26Å; L151-R175 HydrophobicContact CD1-CG 4.29Å; Q171-R175 VanDerWaalsContact O-CB 3.23Å; Q171-R175 WeakPolarHBondContact O-CB 3.37Å; Q171-R175 PolarHBondContact O-N 2.64Å; E172-R175 VanDerWaalsContact CD-NH2 3.26Å; E172-R175 PolarHBondContact O-N 3.14Å; E172-R175 IonicContact OE1-CZ 3.54Å; E172-R175 IonicContact OE1-NE 2.7Å; E172-R175 IonicContact OE1-NH2 2.79Å; E172-R175 PolarHBondContact OE1-NH2 3.03Å; E172-R175 IonicContact OE2-CZ 2.65Å; E172-R175 IonicContact OE2-NE 2.93Å; E172-R175 PolarHBondContact OE2-NE 2.9Å; E172-R175 IonicContact OE2-NH2 2.62Å; E172-R175 PolarHBondContact OE2-NH2 3.19Å; Y173-R175 VanDerWaalsContact C-N 3.32Å; Y173-R175 PolarHBondContact O-N 3.36Å
176	T	82.1	Confident	84.7	Confident	46 Å²	46	61.5 Å²	61.5	28%	0.282	31%	0.311	S	S	.	.	I	π-helix	trans	-126.8	-45.7	-171.3	61.9	0	0	0	0	114.3	E172	E172-T176 PolarHBondContact O-N 3.12Å; E172-T176 PolarHBondContact O-OG1 2.68Å; E172-T176 VanDerWaalsContact O-OG1 3.08Å; E172-T176 WeakPolarHBondContact OE1-CG2 3.42Å; E172-T176 PolarHBondContact OE1-OG1 2.54Å
177	S	86.2	Confident	84.5	Confident	17 Å²	17	66.6 Å²	66.6	12%	0.119	34%	0.34	C	S	.	.	I	π-helix	trans	-81.1	-26.4	-164	-56	0	0	0	0	113.3	Y173 C179 L180 D181	Y173-S177 CarbonylContact O-C 3.58Å; Y173-S177 PolarHBondContact O-N 3.4Å; S177-C179 VanDerWaalsContact C-N 3.3Å; S177-C179 PolarHBondContact O-N 3.08Å; S177-L180 PolarHBondContact O-N 3.44Å; S177-D181 WeakPolarHBondContact O-CB 3.5Å; S177-D181 PolarHBondContact O-N 2.87Å
178	I	86.2	Confident	83.5	Confident	15 Å²	15	66.8 Å²	66.8	8%	0.077	36%	0.358	C	S	.	.	H	α-helix	trans	-64.5	-32.3	176.6	-167.4	167.9	0	0	0	112.7	L146 Y150 Y173 F174 A182	L146-I178 HydrophobicContact CD2-CD1 3.72Å; L146-I178 HydrophobicContact CD2-CG1 3.79Å; L146-I178 HydrophobicContact CD2-CG2 4.36Å; Y150-I178 HydrophobicContact CD2-CD1 3.64Å; Y150-I178 HydrophobicContact CE2-CD1 3.8Å; Y150-I178 HydrophobicContact CG-CD1 4.17Å; Y173-I178 HydrophobicContact CE1-CB 3.99Å; Y173-I178 HydrophobicContact CE1-CD1 4.19Å; Y173-I178 HydrophobicContact CE1-CG1 4.2Å; Y173-I178 HydrophobicContact CE2-CB 4.45Å; Y173-I178 PolarHBondContact O-N 2.88Å; F174-I178 HydrophobicContact CD1-CD1 3.69Å; F174-I178 HydrophobicContact CE1-CD1 3.85Å; F174-I178 WeakPolarHBondContact O-CG2 3.41Å; I178-A182 VanDerWaalsContact O-CB 3.29Å; I178-A182 WeakPolarHBondContact O-CB 3.41Å; I178-A182 PolarHBondContact O-N 3.24Å
179	C	84.7	Confident	82.9	Confident	31 Å²	31	63.8 Å²	63.8	21%	0.209	34%	0.344	C	S	.	.	H	α-helix	trans	-68.9	-45.5	175.8	-61.4	0	0	0	0	110.7	S177 D181 A182 E183	S177-C179 VanDerWaalsContact C-N 3.3Å; S177-C179 PolarHBondContact O-N 3.08Å; C179-D181 VanDerWaalsContact C-N 3.33Å; C179-D181 PolarHBondContact O-N 3Å; C179-A182 PolarHBondContact O-N 3.4Å; C179-E183 WeakPolarHBondContact O-CG 3.42Å; C179-E183 PolarHBondContact O-N 3.06Å
180	L	83.3	Confident	82.2	Confident	98 Å²	98	68.1 Å²	68.1	51%	0.513	37%	0.37	S	S	.	.	H	α-helix	trans	-62.9	-38.7	176.6	-60.3	174.1	0	0	0	112	S177 E183 Q184	S177-L180 PolarHBondContact O-N 3.44Å; L180-E183 PolarHBondContact O-N 3.34Å; L180-Q184 WeakPolarHBondContact O-CG 3.29Å; L180-Q184 PolarHBondContact O-N 3.49Å
181	D	86.5	Confident	81.6	Confident	4 Å²	4	71.4 Å²	71.4	2%	0.021	39%	0.386	C	S	.	.	H	α-helix	trans	-71.6	-34.5	175.7	-81.3	9.7	0	0	0	112.2	S177 C179 Q184 V185 L192 P193 G194 L195	S177-D181 WeakPolarHBondContact O-CB 3.5Å; S177-D181 PolarHBondContact O-N 2.87Å; C179-D181 VanDerWaalsContact C-N 3.33Å; C179-D181 PolarHBondContact O-N 3Å; D181-Q184 WeakPolarHBondContact O-CB 3.12Å; D181-Q184 PolarHBondContact O-N 2.73Å; D181-V185 WeakPolarHBondContact O-CG2 3.01Å; D181-V185 PolarHBondContact O-N 3.18Å; D181-V185 VanDerWaalsContact O-N 3.16Å; D181-L192 HydrophobicContact CB-CD2 4.03Å; D181-L192 VanDerWaalsContact OD2-C 3.26Å; D181-L192 WeakPolarHBondContact OD2-CA 3.29Å; D181-L192 WeakPolarHBondContact OD2-CB 3.47Å; D181-P193 WeakPolarHBondContact OD1-CD 3.38Å; D181-P193 WeakPolarHBondContact OD1-CG 3.16Å; D181-G194 VanDerWaalsContact CG-N 3.32Å; D181-G194 WeakPolarHBondContact OD1-CA 3.32Å; D181-G194 PolarHBondContact OD1-N 3.21Å; D181-G194 VanDerWaalsContact OD2-CA 3.28Å; D181-G194 WeakPolarHBondContact OD2-CA 3.49Å; D181-G194 PolarHBondContact OD2-N 3.5Å; D181-L195 PolarHBondContact OD2-N 2.7Å
182	A	82.4	Confident	81.4	Confident	39 Å²	39	71 Å²	71	32%	0.322	39%	0.386	S	S	.	.	H	α-helix	trans	-66.1	-40.5	171.9	0	0	0	0	0	111.9	I178 C179 Q184 V185 Q186	I178-A182 VanDerWaalsContact O-CB 3.29Å; I178-A182 WeakPolarHBondContact O-CB 3.41Å; I178-A182 PolarHBondContact O-N 3.24Å; C179-A182 PolarHBondContact O-N 3.4Å; A182-Q184 VanDerWaalsContact C-N 3.34Å; A182-Q184 PolarHBondContact O-N 3.34Å; A182-V185 PolarHBondContact O-N 2.97Å; A182-Q186 WeakPolarHBondContact O-CB 3.48Å; A182-Q186 PolarHBondContact O-N 2.8Å
183	E	81.1	Confident	81	Confident	105 Å²	105	70.4 Å²	70.4	49%	0.491	39%	0.389	S	S	.	.	H	α-helix	trans	-61.6	-38.5	172.6	-73.7	168.6	-161.5	0	0	111.9	C179 L180 Q186 N187	C179-E183 WeakPolarHBondContact O-CG 3.42Å; C179-E183 PolarHBondContact O-N 3.06Å; L180-E183 PolarHBondContact O-N 3.34Å; E183-Q186 PolarHBondContact O-N 2.83Å; E183-N187 WeakPolarHBondContact O-CB 2.97Å; E183-N187 PolarHBondContact O-N 2.88Å; E183-N187 PolarHBondContact O-ND2 2.6Å
184	Q	79.8	Confident	80.7	Confident	68 Å²	68	69.7 Å²	69.7	32%	0.318	39%	0.389	S	S	.	.	H	α-helix	trans	-60.4	-48.4	174.6	-62.4	-101.2	4.1	0	0	111.1	L180 D181 A182 N187 G188 N189 P193	L180-Q184 WeakPolarHBondContact O-CG 3.29Å; L180-Q184 PolarHBondContact O-N 3.49Å; D181-Q184 WeakPolarHBondContact O-CB 3.12Å; D181-Q184 PolarHBondContact O-N 2.73Å; A182-Q184 VanDerWaalsContact C-N 3.34Å; A182-Q184 PolarHBondContact O-N 3.34Å; Q184-N187 CarbonylContact O-C 3.47Å; Q184-N187 PolarHBondContact O-N 3.03Å; Q184-G188 PolarHBondContact O-N 3.41Å; Q184-N189 CarbonylContact C-O 3.59Å; Q184-N189 HydrophobicContact CB-CB 4.41Å; Q184-N189 WeakPolarHBondContact O-CB 3.15Å; Q184-N189 PolarHBondContact O-N 3.48Å; Q184-N189 PolarHBondContact OE1-ND2 3.4Å; Q184-P193 HydrophobicContact CG-CG 4.43Å
185	V	78.8	Confident	80.4	Confident	80 Å²	80	70.4 Å²	70.4	49%	0.485	39%	0.394	S	S	.	.	H	α-helix	trans	-64.9	-41.9	179	174	0	0	0	0	111.6	D181 A182 N187 G188 N189 L192	D181-V185 WeakPolarHBondContact O-CG2 3.01Å; D181-V185 PolarHBondContact O-N 3.18Å; D181-V185 VanDerWaalsContact O-N 3.16Å; A182-V185 PolarHBondContact O-N 2.97Å; V185-N187 VanDerWaalsContact C-N 3.26Å; V185-N187 PolarHBondContact O-N 3.13Å; V185-G188 WeakPolarHBondContact O-CA 3.39Å; V185-G188 PolarHBondContact O-N 2.94Å; V185-N189 WeakPolarHBondContact CA-O 3Å; V185-N189 PolarHBondContact N-O 3.25Å; V185-L192 HydrophobicContact CG2-CD2 3.49Å; V185-L192 VanDerWaalsContact CG2-CD2 3.49Å
186	Q	76.5	Confident	80.2	Confident	171 Å²	171	70.7 Å²	70.7	80%	0.799	40%	0.399	S	S	*	.	H	α-helix	trans	-65.3	-30.3	177.9	-171.1	171.2	1.3	0	0	112.4	A182 E183 G188	A182-Q186 WeakPolarHBondContact O-CB 3.48Å; A182-Q186 PolarHBondContact O-N 2.8Å; E183-Q186 PolarHBondContact O-N 2.83Å; Q186-G188 PolarHBondContact O-N 2.97Å
187	N	79.2	Confident	80.3	Confident	141 Å²	141	75.8 Å²	75.8	75%	0.754	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	11.8	170.4	-70.8	-64.2	0	0	0	113.7	E183 Q184 V185 N189	E183-N187 WeakPolarHBondContact O-CB 2.97Å; E183-N187 PolarHBondContact O-N 2.88Å; E183-N187 PolarHBondContact O-ND2 2.6Å; Q184-N187 CarbonylContact O-C 3.47Å; Q184-N187 PolarHBondContact O-N 3.03Å; V185-N187 VanDerWaalsContact C-N 3.26Å; V185-N187 PolarHBondContact O-N 3.13Å; N187-N189 PolarHBondContact O-N 2.96Å
188	G	65	Low	80.3	Confident	65 Å²	65	76 Å²	76	67%	0.67	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.1	8.2	174	0	0	0	0	0	115.7	Q184 V185 Q186 P190	Q184-G188 PolarHBondContact O-N 3.41Å; V185-G188 WeakPolarHBondContact O-CA 3.39Å; V185-G188 PolarHBondContact O-N 2.94Å; Q186-G188 PolarHBondContact O-N 2.97Å; G188-P190 WeakPolarHBondContact O-CD 3.24Å
189	N	72.6	Confident	80	Confident	55 Å²	55	79.2 Å²	79.2	29%	0.294	43%	0.434	S	S	.	.			trans	-92	114.2	174.9	-174.4	9.4	0	0	0	110.6	Q184 V185 N187 N191	Q184-N189 CarbonylContact C-O 3.59Å; Q184-N189 HydrophobicContact CB-CB 4.41Å; Q184-N189 WeakPolarHBondContact O-CB 3.15Å; Q184-N189 PolarHBondContact O-N 3.48Å; Q184-N189 PolarHBondContact OE1-ND2 3.4Å; V185-N189 WeakPolarHBondContact CA-O 3Å; V185-N189 PolarHBondContact N-O 3.25Å; N187-N189 PolarHBondContact O-N 2.96Å; N189-N191 PolarHBondContact O-N 3.19Å; N189-N191 VanDerWaalsContact O-N 3.16Å; N189-N191 WeakPolarHBondContact OD1-CB 3.48Å; N189-N191 PolarHBondContact OD1-N 3.45Å; N189-N191 PolarHBondContact OD1-ND2 3.3Å
190	P	73.6	Confident	79.7	Confident	116 Å²	116	82 Å²	82	75%	0.753	45%	0.45	S	S	*	.			trans	-75.2	1.9	179.7	32.3	-37	0	0	0	114	G188	G188-P190 WeakPolarHBondContact O-CD 3.24Å
191	N	73.5	Confident	79.6	Confident	99 Å²	99	79.1 Å²	79.1	53%	0.529	44%	0.44	S	S	.	.			trans	-80.8	128.7	176.4	-71.3	-84.5	0	0	0	111.2	N189 P193	N189-N191 PolarHBondContact O-N 3.19Å; N189-N191 VanDerWaalsContact O-N 3.16Å; N189-N191 WeakPolarHBondContact OD1-CB 3.48Å; N189-N191 PolarHBondContact OD1-N 3.45Å; N189-N191 PolarHBondContact OD1-ND2 3.3Å; N191-P193 VanDerWaalsContact C-CD 3.44Å; N191-P193 WeakPolarHBondContact O-CD 3.47Å
192	L	83.1	Confident	79.5	Confident	66 Å²	66	81.3 Å²	81.3	35%	0.346	45%	0.453	S	S	.	.			trans	-107.6	78	176.4	-55.4	175.6	0	0	0	109.6	D181 V185 G194 L195 K196	D181-L192 HydrophobicContact CB-CD2 4.03Å; D181-L192 VanDerWaalsContact OD2-C 3.26Å; D181-L192 WeakPolarHBondContact OD2-CA 3.29Å; D181-L192 WeakPolarHBondContact OD2-CB 3.47Å; V185-L192 HydrophobicContact CG2-CD2 3.49Å; V185-L192 VanDerWaalsContact CG2-CD2 3.49Å; L192-G194 VanDerWaalsContact C-N 3.35Å; L192-G194 PolarHBondContact O-N 3.09Å; L192-L195 HydrophobicContact CB-CB 3.85Å; L192-L195 HydrophobicContact CB-CD2 4.38Å; L192-L195 HydrophobicContact CD1-CD2 3.71Å; L192-L195 PolarHBondContact O-N 3.3Å; L192-K196 VanDerWaalsContact O-CB 3.27Å; L192-K196 WeakPolarHBondContact O-CB 3.21Å; L192-K196 PolarHBondContact O-N 3.17Å
193	P	81.1	Confident	79.4	Confident	61 Å²	61	81.1 Å²	81.1	40%	0.396	45%	0.449	S	S	.	.	H	α-helix	trans	-64.6	-34.1	-174.4	25.6	-35.2	0	0	0	113.6	D181 Q184 N191 K197	D181-P193 WeakPolarHBondContact OD1-CD 3.38Å; D181-P193 WeakPolarHBondContact OD1-CG 3.16Å; Q184-P193 HydrophobicContact CG-CG 4.43Å; N191-P193 VanDerWaalsContact C-CD 3.44Å; N191-P193 WeakPolarHBondContact O-CD 3.47Å; P193-K197 VanDerWaalsContact O-CB 3.31Å; P193-K197 WeakPolarHBondContact O-CB 3.34Å; P193-K197 PolarHBondContact O-N 2.78Å
194	G	84.3	Confident	79.3	Confident	9 Å²	9	80.7 Å²	80.7	9%	0.093	45%	0.446	C	S	.	.	H	α-helix	trans	-63.8	-47.9	174	0	0	0	0	0	112.2	D181 L192 K197 L198	D181-G194 VanDerWaalsContact CG-N 3.32Å; D181-G194 WeakPolarHBondContact OD1-CA 3.32Å; D181-G194 PolarHBondContact OD1-N 3.21Å; D181-G194 VanDerWaalsContact OD2-CA 3.28Å; D181-G194 WeakPolarHBondContact OD2-CA 3.49Å; D181-G194 PolarHBondContact OD2-N 3.5Å; L192-G194 VanDerWaalsContact C-N 3.35Å; L192-G194 PolarHBondContact O-N 3.09Å; G194-K197 WeakPolarHBondContact O-CB 3.47Å; G194-K197 PolarHBondContact O-N 3.02Å; G194-L198 PolarHBondContact O-N 3.11Å
195	L	83.9	Confident	79.3	Confident	54 Å²	54	81.6 Å²	81.6	28%	0.283	45%	0.453	S	S	.	.	H	α-helix	trans	-66.3	-40.7	177.5	-176.8	61.8	0	0	0	110.8	Y173 D181 L192 K197 L198 I199	Y173-L195 HydrophobicContact CE1-CD1 4.34Å; Y173-L195 HydrophobicContact CE2-CB 3.85Å; Y173-L195 HydrophobicContact CE2-CD1 4.44Å; Y173-L195 VanDerWaalsContact CE2-N 3.27Å; D181-L195 PolarHBondContact OD2-N 2.7Å; L192-L195 HydrophobicContact CB-CB 3.85Å; L192-L195 HydrophobicContact CB-CD2 4.38Å; L192-L195 HydrophobicContact CD1-CD2 3.71Å; L192-L195 PolarHBondContact O-N 3.3Å; L195-K197 VanDerWaalsContact C-N 3.3Å; L195-K197 PolarHBondContact O-N 2.73Å; L195-L198 HydrophobicContact CD1-CD2 4.34Å; L195-L198 WeakPolarHBondContact O-CB 3.44Å; L195-L198 PolarHBondContact O-N 3.41Å; L195-I199 HydrophobicContact CD1-CD1 4.23Å; L195-I199 HydrophobicContact CD1-CG1 4.43Å; L195-I199 HydrophobicContact CG-CD1 3.91Å; L195-I199 WeakPolarHBondContact O-CB 3.24Å; L195-I199 VanDerWaalsContact O-CG1 3.3Å; L195-I199 WeakPolarHBondContact O-CG1 3.29Å; L195-I199 PolarHBondContact O-N 3.19Å
196	K	80.2	Confident	79.2	Confident	145 Å²	145	81.8 Å²	81.8	63%	0.63	45%	0.451	S	S	*	.	H	α-helix	trans	-60.9	-39.3	173.5	-173.6	174.8	-179.2	178.2	0	111.5	L192 T200	L192-K196 VanDerWaalsContact O-CB 3.27Å; L192-K196 WeakPolarHBondContact O-CB 3.21Å; L192-K196 PolarHBondContact O-N 3.17Å; K196-T200 VanDerWaalsContact O-CB 3.29Å; K196-T200 WeakPolarHBondContact O-CB 3.45Å; K196-T200 PolarHBondContact O-N 3.5Å; K196-T200 PolarHBondContact O-OG1 2.86Å
197	K	83.4	Confident	79.2	Confident	152 Å²	152	75.9 Å²	75.9	66%	0.661	42%	0.424	S	S	*	.	H	α-helix	trans	-65.6	-44.4	173.6	-175.8	-174.3	176.7	-169.3	0	111.6	P193 G194 L195 T200 A201	P193-K197 VanDerWaalsContact O-CB 3.31Å; P193-K197 WeakPolarHBondContact O-CB 3.34Å; P193-K197 PolarHBondContact O-N 2.78Å; G194-K197 WeakPolarHBondContact O-CB 3.47Å; G194-K197 PolarHBondContact O-N 3.02Å; L195-K197 VanDerWaalsContact C-N 3.3Å; L195-K197 PolarHBondContact O-N 2.73Å; K197-T200 PolarHBondContact O-N 2.88Å; K197-A201 WeakPolarHBondContact O-CB 3.4Å; K197-A201 PolarHBondContact O-N 3.28Å
198	L	86.3	Confident	79.1	Confident	23 Å²	23	72 Å²	72	12%	0.12	41%	0.408	C	S	.	.	H	α-helix	trans	-58.3	-52.5	174.6	174.2	62.3	0	0	0	111.6	A169 V170 Y173 G194 L195 T200 A201 V202	A169-L198 VanDerWaalsContact C-CD1 3.49Å; A169-L198 HydrophobicContact CB-CD1 3.85Å; A169-L198 WeakPolarHBondContact O-CD1 3.34Å; V170-L198 HydrophobicContact CG2-CD1 3.95Å; V170-L198 HydrophobicContact CG2-CD2 4.43Å; Y173-L198 HydrophobicContact CD1-CD2 3.85Å; Y173-L198 HydrophobicContact CD2-CB 4.32Å; Y173-L198 HydrophobicContact CD2-CD2 4.45Å; Y173-L198 HydrophobicContact CG-CB 4.29Å; Y173-L198 HydrophobicContact CG-CD2 3.74Å; G194-L198 PolarHBondContact O-N 3.11Å; L195-L198 HydrophobicContact CD1-CD2 4.34Å; L195-L198 WeakPolarHBondContact O-CB 3.44Å; L195-L198 PolarHBondContact O-N 3.41Å; L198-T200 VanDerWaalsContact C-N 3.27Å; L198-T200 PolarHBondContact O-N 3.49Å; L198-A201 PolarHBondContact O-N 2.87Å; L198-A201 VanDerWaalsContact O-N 3.09Å; L198-V202 HydrophobicContact CD1-CG2 3.81Å; L198-V202 HydrophobicContact CG-CG2 4.44Å; L198-V202 PolarHBondContact O-N 3.23Å
199	I	80.1	Confident	79.8	Confident	82 Å²	82	73.1 Å²	73.1	42%	0.421	40%	0.395	S	S	.	.	H	α-helix	trans	-59.2	-41.5	179.1	-68.2	166.8	0	0	0	110.3	L195 A201 C203	L195-I199 HydrophobicContact CD1-CD1 4.23Å; L195-I199 HydrophobicContact CD1-CG1 4.43Å; L195-I199 HydrophobicContact CG-CD1 3.91Å; L195-I199 WeakPolarHBondContact O-CB 3.24Å; L195-I199 VanDerWaalsContact O-CG1 3.3Å; L195-I199 WeakPolarHBondContact O-CG1 3.29Å; L195-I199 PolarHBondContact O-N 3.19Å; I199-A201 VanDerWaalsContact C-N 3.33Å; I199-A201 PolarHBondContact O-N 2.99Å; I199-C203 WeakPolarHBondContact O-CB 3.48Å; I199-C203 PolarHBondContact O-N 3.48Å; I199-C203 PolarHBondContact O-SG 2.99Å
200	T	79.1	Confident	80.1	Confident	89 Å²	89	70.8 Å²	70.8	55%	0.546	38%	0.383	S	S	.	.	H	α-helix	trans	-64.7	-36	176.9	-56.7	0	0	0	0	112.1	K196 K197 L198 K204	K196-T200 VanDerWaalsContact O-CB 3.29Å; K196-T200 WeakPolarHBondContact O-CB 3.45Å; K196-T200 PolarHBondContact O-N 3.5Å; K196-T200 PolarHBondContact O-OG1 2.86Å; K197-T200 PolarHBondContact O-N 2.88Å; L198-T200 VanDerWaalsContact C-N 3.27Å; L198-T200 PolarHBondContact O-N 3.49Å; T200-K204 WeakPolarHBondContact O-CA 3.3Å; T200-K204 WeakPolarHBondContact O-CB 3.49Å; T200-K204 PolarHBondContact O-N 2.91Å; T200-K204 VanDerWaalsContact O-N 3.13Å
201	A	81.2	Confident	80.3	Confident	37 Å²	37	67.7 Å²	67.7	31%	0.306	36%	0.364	S	S	.	.	H	α-helix	trans	-71.4	-52.8	176.4	0	0	0	0	0	112.1	K197 L198 I199 C203 K204	K197-A201 WeakPolarHBondContact O-CB 3.4Å; K197-A201 PolarHBondContact O-N 3.28Å; L198-A201 PolarHBondContact O-N 2.87Å; L198-A201 VanDerWaalsContact O-N 3.09Å; I199-A201 VanDerWaalsContact C-N 3.33Å; I199-A201 PolarHBondContact O-N 2.99Å; A201-C203 VanDerWaalsContact C-N 3.29Å; A201-C203 PolarHBondContact O-N 3.3Å; A201-K204 WeakPolarHBondContact O-CB 3.36Å; A201-K204 PolarHBondContact O-N 3.24Å; A201-K204 VanDerWaalsContact O-N 3.16Å
202	V	84.1	Confident	80.6	Confident	50 Å²	50	71.3 Å²	71.3	30%	0.303	37%	0.37	S	S	.	.	H	α-helix	trans	-64.4	-34.3	-179.2	176.1	0	0	0	0	111.8	H166 L198	H166-V202 HydrophobicContact CB-CG2 4.42Å; H166-V202 PolarHBondContact CE1-O 3.43Å; H166-V202 PolarHBondContact NE2-O 3.15Å; L198-V202 HydrophobicContact CD1-CG2 3.81Å; L198-V202 HydrophobicContact CG-CG2 4.44Å; L198-V202 PolarHBondContact O-N 3.23Å
203	C	79.7	Confident	80.5	Confident	35 Å²	35	71.2 Å²	71.2	24%	0.236	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93	7	178.2	-54	0	0	0	0	114	I199 A201 N205 L206 N207 I245	I199-C203 WeakPolarHBondContact O-CB 3.48Å; I199-C203 PolarHBondContact O-N 3.48Å; I199-C203 PolarHBondContact O-SG 2.99Å; A201-C203 VanDerWaalsContact C-N 3.29Å; A201-C203 PolarHBondContact O-N 3.3Å; C203-N205 PolarHBondContact O-N 3.47Å; C203-L206 PolarHBondContact O-N 2.98Å; C203-N207 PolarHBondContact O-N 3.42Å; C203-I245 HydrophobicContact CB-CD1 3.57Å
204	K	80.1	Confident	80.5	Confident	97 Å²	97	69.7 Å²	69.7	42%	0.422	36%	0.361	S	S	.	.	H	α-helix	trans	-53.6	-52.8	-178.3	173.9	179.5	155.4	-159.8	0	112.1	E165 T200 A201 L206 N207 C208	E165-K204 IonicContact OE1-NZ 2.73Å; E165-K204 PolarHBondContact OE1-NZ 3.32Å; T200-K204 WeakPolarHBondContact O-CA 3.3Å; T200-K204 WeakPolarHBondContact O-CB 3.49Å; T200-K204 PolarHBondContact O-N 2.91Å; T200-K204 VanDerWaalsContact O-N 3.13Å; A201-K204 WeakPolarHBondContact O-CB 3.36Å; A201-K204 PolarHBondContact O-N 3.24Å; A201-K204 VanDerWaalsContact O-N 3.16Å; K204-L206 PolarHBondContact O-N 2.95Å; K204-N207 PolarHBondContact O-N 3.43Å; K204-C208 PolarHBondContact O-N 3.02Å; K204-C208 PolarHBondContact O-SG 2.86Å; K204-C208 VanDerWaalsContact O-SG 3.34Å
205	N	80.2	Confident	80.4	Confident	86 Å²	86	72.1 Å²	72.1	46%	0.46	38%	0.375	S	S	.	.	H	α-helix	trans	-66.7	-38.8	-178.4	-64.8	-25.5	0	0	0	111.6	C203 C208 E209	C203-N205 PolarHBondContact O-N 3.47Å; N205-C208 WeakPolarHBondContact O-CB 3.45Å; N205-C208 PolarHBondContact O-N 3.48Å; N205-E209 PolarHBondContact O-N 3.42Å
206	L	76.8	Confident	80.3	Confident	84 Å²	84	72.4 Å²	72.4	44%	0.44	39%	0.385	S	S	.	.	H	α-helix	trans	-61.7	-43.4	173.7	178.8	60.1	0	0	0	111.8	C203 K204 C208 E209 I210 I245 L249	C203-L206 PolarHBondContact O-N 2.98Å; K204-L206 PolarHBondContact O-N 2.95Å; L206-C208 VanDerWaalsContact C-N 3.35Å; L206-C208 PolarHBondContact O-N 3.39Å; L206-E209 PolarHBondContact O-N 3.01Å; L206-I210 HydrophobicContact CD1-CD1 4.02Å; L206-I210 HydrophobicContact CD1-CG1 4.23Å; L206-I210 HydrophobicContact CG-CD1 3.83Å; L206-I210 HydrophobicContact CG-CG1 4.49Å; L206-I210 WeakPolarHBondContact O-CD1 3.4Å; L206-I210 WeakPolarHBondContact O-CG1 3.27Å; L206-I210 PolarHBondContact O-N 3.29Å; L206-I245 HydrophobicContact CB-CD1 4.21Å; L206-I245 HydrophobicContact CD2-CD1 3.99Å; L206-I245 HydrophobicContact CG-CD1 3.95Å; L206-L249 HydrophobicContact CD2-CD1 4.43Å
207	N	76.8	Confident	80.3	Confident	47 Å²	47	66.9 Å²	66.9	25%	0.251	36%	0.362	S	S	.	.	H	α-helix	trans	-67.9	-34.7	177.8	-160.7	7.3	0	0	0	112	C203 K204 S211 I245 R248	C203-N207 PolarHBondContact O-N 3.42Å; K204-N207 PolarHBondContact O-N 3.43Å; N207-S211 VanDerWaalsContact O-CB 3.26Å; N207-S211 WeakPolarHBondContact O-CB 3.41Å; N207-S211 PolarHBondContact O-N 3.37Å; N207-S211 PolarHBondContact O-OG 3.27Å; N207-I245 HydrophobicContact CB-CD1 3.81Å; N207-I245 HydrophobicContact CB-CG1 4.28Å; N207-R248 WeakPolarHBondContact OD1-CD 3.49Å; N207-R248 PolarHBondContact OD1-NH1 3.09Å; N207-R248 VanDerWaalsContact OD1-NH1 3.15Å
208	C	76.5	Confident	80.3	Confident	59 Å²	59	62.4 Å²	62.4	40%	0.399	34%	0.344	S	S	.	.	H	α-helix	trans	-61.6	-48.1	171.1	-72	0	0	0	0	111.8	K204 N205 L206 S211 R212	K204-C208 PolarHBondContact O-N 3.02Å; K204-C208 PolarHBondContact O-SG 2.86Å; K204-C208 VanDerWaalsContact O-SG 3.34Å; N205-C208 WeakPolarHBondContact O-CB 3.45Å; N205-C208 PolarHBondContact O-N 3.48Å; L206-C208 VanDerWaalsContact C-N 3.35Å; L206-C208 PolarHBondContact O-N 3.39Å; C208-S211 PolarHBondContact O-N 3.33Å; C208-R212 VanDerWaalsContact O-CG 3.3Å; C208-R212 WeakPolarHBondContact O-CG 3.37Å; C208-R212 PolarHBondContact O-N 3.27Å
209	E	79	Confident	80.1	Confident	89 Å²	89	67 Å²	67	42%	0.416	37%	0.367	S	S	.	.	H	α-helix	trans	-67.5	-42.1	178.5	-68.7	-49.4	119.7	0	0	112.5	N205 L206 S211 R212 V213	N205-E209 PolarHBondContact O-N 3.42Å; L206-E209 PolarHBondContact O-N 3.01Å; E209-S211 VanDerWaalsContact C-N 3.27Å; E209-S211 PolarHBondContact O-N 2.89Å; E209-R212 PolarHBondContact O-N 3.44Å; E209-R212 VanDerWaalsContact O-N 3.11Å; E209-R212 WeakPolarHBondContact OE1-CD 3.44Å; E209-R212 IonicContact OE1-CZ 2.75Å; E209-R212 IonicContact OE1-NE 2.83Å; E209-R212 IonicContact OE1-NH1 2.76Å; E209-R212 PolarHBondContact OE1-NH1 3.13Å; E209-V213 WeakPolarHBondContact O-CB 3.3Å; E209-V213 WeakPolarHBondContact O-CG2 3.48Å; E209-V213 PolarHBondContact O-N 3.16Å
210	I	78.9	Confident	80	Confident	6 Å²	6	68 Å²	68	3%	0.031	37%	0.368	C	S	.	.	H	α-helix	trans	-56.4	-45.4	171.7	-65.4	160.6	0	0	0	110.2	L206 R212 V213 L214 I245 R248 L249 L252	L206-I210 HydrophobicContact CD1-CD1 4.02Å; L206-I210 HydrophobicContact CD1-CG1 4.23Å; L206-I210 HydrophobicContact CG-CD1 3.83Å; L206-I210 HydrophobicContact CG-CG1 4.49Å; L206-I210 WeakPolarHBondContact O-CD1 3.4Å; L206-I210 WeakPolarHBondContact O-CG1 3.27Å; L206-I210 PolarHBondContact O-N 3.29Å; I210-R212 VanDerWaalsContact C-N 3.27Å; I210-R212 PolarHBondContact O-N 3.4Å; I210-V213 PolarHBondContact O-N 2.91Å; I210-L214 WeakPolarHBondContact O-CB 3.5Å; I210-L214 PolarHBondContact O-N 3.35Å; I210-I245 HydrophobicContact CD1-CD1 4.2Å; I210-I245 HydrophobicContact CD1-CG1 3.99Å; I210-R248 HydrophobicContact CG2-CB 4.22Å; I210-L249 HydrophobicContact CD1-CD2 3.63Å; I210-L249 HydrophobicContact CD1-CG 3.8Å; I210-L249 HydrophobicContact CG1-CD2 4.37Å; I210-L252 HydrophobicContact CG1-CD2 4.07Å; I210-L252 HydrophobicContact CG2-CD2 4.39Å
211	S	77.8	Confident	80.2	Confident	51 Å²	51	66.1 Å²	66.1	36%	0.357	35%	0.354	S	S	.	.	H	α-helix	trans	-68.1	-23.1	-179.7	-56.2	0	0	0	0	113.7	N207 C208 E209 P215 R248	N207-S211 VanDerWaalsContact O-CB 3.26Å; N207-S211 WeakPolarHBondContact O-CB 3.41Å; N207-S211 PolarHBondContact O-N 3.37Å; N207-S211 PolarHBondContact O-OG 3.27Å; C208-S211 PolarHBondContact O-N 3.33Å; E209-S211 VanDerWaalsContact C-N 3.27Å; E209-S211 PolarHBondContact O-N 2.89Å; S211-P215 WeakPolarHBondContact O-CD 3.18Å; S211-R248 PolarHBondContact OG-NH1 2.62Å
212	R	80.8	Confident	80.1	Confident	175 Å²	175	71.5 Å²	71.5	66%	0.66	37%	0.366	S	S	*	.	H	α-helix	trans	-82.7	-40.6	174	-74.1	165	170.5	-177	-5.7	112.4	C208 E209 I210	C208-R212 VanDerWaalsContact O-CG 3.3Å; C208-R212 WeakPolarHBondContact O-CG 3.37Å; C208-R212 PolarHBondContact O-N 3.27Å; E209-R212 PolarHBondContact O-N 3.44Å; E209-R212 VanDerWaalsContact O-N 3.11Å; E209-R212 WeakPolarHBondContact OE1-CD 3.44Å; E209-R212 IonicContact OE1-CZ 2.75Å; E209-R212 IonicContact OE1-NE 2.83Å; E209-R212 IonicContact OE1-NH1 2.76Å; E209-R212 PolarHBondContact OE1-NH1 3.13Å; I210-R212 VanDerWaalsContact C-N 3.27Å; I210-R212 PolarHBondContact O-N 3.4Å
213	V	79.8	Confident	79.6	Confident	65 Å²	65	73 Å²	73	39%	0.394	38%	0.384	S	S	.	.	H	α-helix	trans	-84.6	-36.2	-172.8	173.9	0	0	0	0	112.3	E209 I210 A216 L217	E209-V213 WeakPolarHBondContact O-CB 3.3Å; E209-V213 WeakPolarHBondContact O-CG2 3.48Å; E209-V213 PolarHBondContact O-N 3.16Å; I210-V213 PolarHBondContact O-N 2.91Å; V213-A216 PolarHBondContact O-N 3.46Å; V213-A216 VanDerWaalsContact O-N 3.13Å; V213-L217 HydrophobicContact CG1-CD1 3.67Å; V213-L217 HydrophobicContact CG1-CG 3.97Å; V213-L217 PolarHBondContact O-N 2.9Å
214	L	81.6	Confident	79.3	Confident	29 Å²	29	72.7 Å²	72.7	15%	0.152	38%	0.38	C	S	.	.	H	α-helix	trans	-56	-45	-177.1	-169.7	77	0	0	0	113.2	I210 A216 L217 E218 L252 L255	I210-L214 WeakPolarHBondContact O-CB 3.5Å; I210-L214 PolarHBondContact O-N 3.35Å; L214-A216 VanDerWaalsContact C-N 3.35Å; L214-A216 PolarHBondContact O-N 3.33Å; L214-L217 PolarHBondContact O-N 2.93Å; L214-E218 PolarHBondContact O-N 3.09Å; L214-L252 HydrophobicContact CD1-CB 4.22Å; L214-L252 HydrophobicContact CD1-CD1 3.78Å; L214-L255 HydrophobicContact CD1-CD2 3.64Å; L214-L255 HydrophobicContact CG-CD2 4.39Å
215	P	81.9	Confident	79.1	Confident	60 Å²	60	71.5 Å²	71.5	39%	0.39	38%	0.378	S	S	.	.	H	α-helix	trans	-65.1	-34.4	177.6	-21.9	34.9	0	0	0	113.7	S211 E218 I219	S211-P215 WeakPolarHBondContact O-CD 3.18Å; P215-E218 PolarHBondContact O-N 2.93Å; P215-I219 WeakPolarHBondContact O-CD1 3.38Å; P215-I219 VanDerWaalsContact O-CG1 3.29Å; P215-I219 WeakPolarHBondContact O-CG1 3.36Å; P215-I219 PolarHBondContact O-N 3.47Å
216	A	81.6	Confident	78	Confident	60 Å²	60	74.3 Å²	74.3	50%	0.496	39%	0.388	S	S	.	.	H	α-helix	trans	-68.6	-39.5	177.1	0	0	0	0	0	111.3	V213 L214 I219 F220	V213-A216 PolarHBondContact O-N 3.46Å; V213-A216 VanDerWaalsContact O-N 3.13Å; L214-A216 VanDerWaalsContact C-N 3.35Å; L214-A216 PolarHBondContact O-N 3.33Å; A216-I219 PolarHBondContact O-N 3.27Å; A216-F220 PolarHBondContact O-N 3.47Å
217	L	81.2	Confident	76.9	Confident	28 Å²	28	78.5 Å²	78.5	15%	0.147	41%	0.406	C	S	.	.	H	α-helix	trans	-67.6	-39.4	172.6	-69.2	175.9	0	0	0	112.1	V213 L214 I219 F220 H221 L252 L255 L256 I259	V213-L217 HydrophobicContact CG1-CD1 3.67Å; V213-L217 HydrophobicContact CG1-CG 3.97Å; V213-L217 PolarHBondContact O-N 2.9Å; L214-L217 PolarHBondContact O-N 2.93Å; L217-I219 VanDerWaalsContact C-N 3.31Å; L217-I219 PolarHBondContact O-N 2.81Å; L217-F220 PolarHBondContact O-N 3.4Å; L217-H221 WeakPolarHBondContact O-CB 3.28Å; L217-H221 PolarHBondContact O-N 2.99Å; L217-L252 HydrophobicContact CD1-CD1 3.46Å; L217-L252 VanDerWaalsContact CD1-CD1 3.46Å; L217-L255 HydrophobicContact CB-CD2 3.63Å; L217-L255 HydrophobicContact CB-CG 4.25Å; L217-L256 HydrophobicContact CD1-CD2 3.64Å; L217-L256 HydrophobicContact CD1-CG 3.96Å; L217-L256 HydrophobicContact CD2-CD2 3.9Å; L217-L256 HydrophobicContact CG-CD2 4.44Å; L217-I259 HydrophobicContact CB-CD1 3.7Å; L217-I259 HydrophobicContact CD2-CD1 3.82Å; L217-I259 HydrophobicContact CG-CD1 4.29Å; L217-I259 VanDerWaalsContact O-CD1 3.27Å; L217-I259 WeakPolarHBondContact O-CD1 3.16Å
218	E	81.9	Confident	75.2	Confident	59 Å²	59	84.1 Å²	84.1	28%	0.276	44%	0.435	S	S	.	.	H	α-helix	trans	-61.3	-39.3	173.9	-81.3	-169.4	-135.9	0	0	112.2	L214 P215 H221 R222 L255	L214-E218 PolarHBondContact O-N 3.09Å; P215-E218 PolarHBondContact O-N 2.93Å; E218-H221 PolarHBondContact O-N 2.99Å; E218-R222 VanDerWaalsContact O-CG 3.23Å; E218-R222 WeakPolarHBondContact O-CG 3.23Å; E218-R222 PolarHBondContact O-N 2.99Å; E218-R222 IonicContact OE2-CZ 3.86Å; E218-R222 IonicContact OE2-NH2 3.57Å; E218-R222 PolarHBondContact OE2-NH2 2.95Å; E218-L255 HydrophobicContact CG-CD2 3.84Å
219	I	82.4	Confident	73.3	Confident	119 Å²	119	85.7 Å²	85.7	61%	0.61	45%	0.446	S	S	*	.	H	α-helix	trans	-64.9	-43.5	174.7	-70	164.4	0	0	0	110.4	P215 A216 L217 R222 A223	P215-I219 WeakPolarHBondContact O-CD1 3.38Å; P215-I219 VanDerWaalsContact O-CG1 3.29Å; P215-I219 WeakPolarHBondContact O-CG1 3.36Å; P215-I219 PolarHBondContact O-N 3.47Å; A216-I219 PolarHBondContact O-N 3.27Å; L217-I219 VanDerWaalsContact C-N 3.31Å; L217-I219 PolarHBondContact O-N 2.81Å; I219-R222 PolarHBondContact O-N 2.68Å; I219-A223 WeakPolarHBondContact O-CB 3.34Å; I219-A223 PolarHBondContact O-N 3.34Å
220	F	79.5	Confident	71.8	Confident	102 Å²	102	88.2 Å²	88.2	45%	0.447	47%	0.47	S	S	.	.	H	α-helix	trans	-65	-40.5	176.9	-176.7	-150.2	0	0	0	112.3	A216 L217 A223 L224 I259	A216-F220 PolarHBondContact O-N 3.47Å; L217-F220 PolarHBondContact O-N 3.4Å; F220-A223 PolarHBondContact O-N 3.34Å; F220-L224 HydrophobicContact CD2-CD1 4.11Å; F220-L224 HydrophobicContact CD2-CG 4.29Å; F220-L224 HydrophobicContact CE2-CD1 3.83Å; F220-L224 HydrophobicContact CE2-CD2 4.28Å; F220-L224 HydrophobicContact CE2-CG 4.08Å; F220-L224 HydrophobicContact CZ-CD1 4.07Å; F220-L224 WeakPolarHBondContact O-CG 3.44Å; F220-L224 PolarHBondContact O-N 2.99Å; F220-I259 HydrophobicContact CD1-CD1 4.38Å; F220-I259 HydrophobicContact CD1-CG2 3.47Å; F220-I259 VanDerWaalsContact CD1-CG2 3.47Å; F220-I259 HydrophobicContact CE1-CG2 3.35Å; F220-I259 HydrophobicContact CG-CG2 4.35Å; F220-I259 HydrophobicContact CZ-CG2 4.15Å
221	H	82.4	Confident	70.2	Confident	51 Å²	51	91 Å²	91	24%	0.236	50%	0.5	C	S	.	.	H	α-helix	trans	-60.1	-45.4	174.3	-176.2	-108.2	0	0	0	112.3	L217 E218 A223 L224 D225 L255 S258 I259 K262	L217-H221 WeakPolarHBondContact O-CB 3.28Å; L217-H221 PolarHBondContact O-N 2.99Å; E218-H221 PolarHBondContact O-N 2.99Å; H221-A223 VanDerWaalsContact C-N 3.34Å; H221-A223 PolarHBondContact O-N 2.84Å; H221-L224 PolarHBondContact O-N 3.13Å; H221-D225 PolarHBondContact O-N 3.11Å; H221-L255 HydrophobicContact CB-CD1 3.74Å; H221-S258 WeakPolarHBondContact NE2-CB 3.38Å; H221-S258 PolarHBondContact NE2-OG 3.04Å; H221-I259 HydrophobicContact CB-CD1 4.12Å; H221-I259 HydrophobicContact CB-CG1 3.64Å; H221-K262 VanDerWaalsContact NE2-CE 3.29Å; H221-K262 WeakPolarHBondContact NE2-CE 3.16Å
222	R	78.9	Confident	68.4	Low	149 Å²	149	96.4 Å²	96.4	56%	0.562	52%	0.524	S	S	*	.	H	α-helix	trans	-66.7	-33.6	175.9	-67.6	172.3	-157	-167.5	9.6	112.5	E218 I219 L224 D225	E218-R222 VanDerWaalsContact O-CG 3.23Å; E218-R222 WeakPolarHBondContact O-CG 3.23Å; E218-R222 PolarHBondContact O-N 2.99Å; E218-R222 IonicContact OE2-CZ 3.86Å; E218-R222 IonicContact OE2-NH2 3.57Å; E218-R222 PolarHBondContact OE2-NH2 2.95Å; I219-R222 PolarHBondContact O-N 2.68Å; R222-L224 PolarHBondContact O-N 3.27Å; R222-D225 PolarHBondContact O-N 3.31Å; R222-D225 VanDerWaalsContact O-N 3.17Å
223	A	73.9	Confident	66.4	Low	82 Å²	82	90.9 Å²	90.9	68%	0.678	52%	0.521	S	S	*	.	H	α-helix	trans	-68.1	-17.5	174.6	0	0	0	0	0	113.4	I219 F220 H221	I219-A223 WeakPolarHBondContact O-CB 3.34Å; I219-A223 PolarHBondContact O-N 3.34Å; F220-A223 PolarHBondContact O-N 3.34Å; H221-A223 VanDerWaalsContact C-N 3.34Å; H221-A223 PolarHBondContact O-N 2.84Å
224	L	74.3	Confident	64.5	Low	29 Å²	29	93 Å²	93	15%	0.152	54%	0.537	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-1.9	174	-64.4	166.7	0	0	0	113.2	F220 H221 R222 I259 K262 A263	F220-L224 HydrophobicContact CD2-CD1 4.11Å; F220-L224 HydrophobicContact CD2-CG 4.29Å; F220-L224 HydrophobicContact CE2-CD1 3.83Å; F220-L224 HydrophobicContact CE2-CD2 4.28Å; F220-L224 HydrophobicContact CE2-CG 4.08Å; F220-L224 HydrophobicContact CZ-CD1 4.07Å; F220-L224 WeakPolarHBondContact O-CG 3.44Å; F220-L224 PolarHBondContact O-N 2.99Å; H221-L224 PolarHBondContact O-N 3.13Å; R222-L224 PolarHBondContact O-N 3.27Å; L224-I259 HydrophobicContact CD1-CG2 4.04Å; L224-K262 HydrophobicContact CB-CB 3.94Å; L224-K262 HydrophobicContact CD1-CB 4.34Å; L224-A263 HydrophobicContact CD1-CB 3.9Å; L224-A263 HydrophobicContact CD2-CB 4.31Å
225	D	74	Confident	62.6	Low	71 Å²	71	101.3 Å²	101.3	38%	0.38	57%	0.571	S	S	.	*			trans	-94.7	100.2	179.3	-113.2	-23.7	0	0	0	111.2	H221 R222 Q227 K262	H221-D225 PolarHBondContact O-N 3.11Å; R222-D225 PolarHBondContact O-N 3.31Å; R222-D225 VanDerWaalsContact O-N 3.17Å; D225-Q227 PolarHBondContact O-N 2.75Å; D225-Q227 VanDerWaalsContact O-N 3.11Å; D225-K262 IonicContact OD1-NZ 3.69Å; D225-K262 PolarHBondContact OD1-NZ 3.29Å; D225-K262 IonicContact OD2-NZ 2.66Å; D225-K262 PolarHBondContact OD2-NZ 2.9Å
226	Q	58.8	Low	60.7	Low	146 Å²	146	106.8 Å²	106.8	68%	0.682	59%	0.592	S	S	*	*			trans	-70	-5.6	-175.5	-64.5	-172	25.5	0	0	114.9	L228	Q226-L228 VanDerWaalsContact C-N 3.34Å; Q226-L228 PolarHBondContact O-N 3.49Å
227	Q	51.9	Low	58.9	Low	172 Å²	172	111.3 Å²	111.3	80%	0.804	61%	0.606	S	S	*	*			trans	-84	66.9	-178.6	-69.6	-143	-0.8	0	0	114.2	D225 S229	D225-Q227 PolarHBondContact O-N 2.75Å; D225-Q227 VanDerWaalsContact O-N 3.11Å; Q227-S229 PolarHBondContact O-N 2.76Å
228	L	42.9	Very low	57.1	Low	164 Å²	164	116.8 Å²	116.8	86%	0.859	64%	0.635	S	S	*	*			trans	-76.8	72.2	163.2	-72.9	176.3	0	0	0	111.4	Q226 P230	Q226-L228 VanDerWaalsContact C-N 3.34Å; Q226-L228 PolarHBondContact O-N 3.49Å; L228-P230 WeakPolarHBondContact O-CD 3.18Å
229	S	36.8	Very low	55.3	Low	92 Å²	92	118.7 Å²	118.7	64%	0.643	65%	0.65	S	S	*	*			trans	-73	117.6	162.4	-72.7	0	0	0	0	109.5	Q227 G231	Q227-S229 PolarHBondContact O-N 2.76Å; S229-G231 PolarHBondContact O-N 2.83Å
230	P	46.7	Very low	53.5	Low	142 Å²	142	117.1 Å²	117.1	92%	0.922	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	78.4	-173.8	32.5	-35.6	0	0	0	111.2	L228	L228-P230 WeakPolarHBondContact O-CD 3.18Å
231	G	45.4	Very low	52	Low	64 Å²	64	117.6 Å²	117.6	66%	0.66	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	176.7	19.2	-176.2	0	0	0	0	0	121.4	S229	S229-G231 PolarHBondContact O-N 2.83Å
232	I	39.8	Very low	50.6	Low	165 Å²	165	118.4 Å²	118.4	85%	0.846	68%	0.681	S	S	*	*			trans	-140	128	159.7	-82.6	108.1	0	0	0	108.7
233	G	39.2	Very low	49.8	Very low	59 Å²	59	115 Å²	115	61%	0.608	67%	0.671	S	S	*	*			trans	-69.8	143.2	174	0	0	0	0	0	111.6	K235	G233-K235 PolarHBondContact O-N 3.19Å
234	P	39.6	Very low	49.5	Very low	111 Å²	111	114.5 Å²	114.5	72%	0.721	66%	0.663	S	S	*	*			trans	-67.6	123.8	-174.6	27.1	-34.4	0	0	0	111.3	Q236	P234-Q236 PolarHBondContact O-N 3.2Å; P234-Q236 VanDerWaalsContact O-N 3.1Å
235	K	41.9	Very low	49.3	Very low	203 Å²	203	114.6 Å²	114.6	88%	0.883	66%	0.663	S	S	*	*			trans	-66.4	107.4	159.8	-76.8	-174.5	175.7	-179	0	108	G233 I237	G233-K235 PolarHBondContact O-N 3.19Å; K235-I237 PolarHBondContact O-N 3Å; K235-I237 VanDerWaalsContact O-N 3.14Å
236	Q	41.8	Very low	48.9	Very low	174 Å²	174	115.2 Å²	115.2	81%	0.813	67%	0.673	S	S	*	*			trans	-61.7	114	163.8	-73	178.6	-25.2	0	0	108.1	P234 L238	P234-Q236 PolarHBondContact O-N 3.2Å; P234-Q236 VanDerWaalsContact O-N 3.1Å; Q236-L238 PolarHBondContact O-N 2.8Å
237	I	43.2	Very low	49.5	Very low	156 Å²	156	112.9 Å²	112.9	80%	0.8	66%	0.659	S	S	*	*			trans	-71.7	111.3	162	-62.4	178	0	0	0	105.3	K235 V239	K235-I237 PolarHBondContact O-N 3Å; K235-I237 VanDerWaalsContact O-N 3.14Å; I237-V239 PolarHBondContact O-N 2.83Å
238	L	42.9	Very low	50.6	Low	143 Å²	143	105.8 Å²	105.8	75%	0.749	62%	0.624	S	S	*	*			trans	-65.1	127.5	179.6	-154.1	77.4	0	0	0	108.6	Q236 D240	Q236-L238 PolarHBondContact O-N 2.8Å; L238-D240 PolarHBondContact O-N 2.84Å
239	V	45.8	Very low	52	Low	98 Å²	98	101 Å²	101	59%	0.594	60%	0.599	S	S	*	*			trans	-74.4	83.2	177.7	-178.3	0	0	0	0	108.8	I237 S241	I237-V239 PolarHBondContact O-N 2.83Å; V239-S241 PolarHBondContact O-N 2.81Å
240	D	44.1	Very low	53.6	Low	87 Å²	87	100.8 Å²	100.8	47%	0.465	59%	0.588	S	S	.	*			trans	-62.4	126.6	179.9	-174.2	0.4	0	0	0	110.6	L238 G242 Q243 R248	L238-D240 PolarHBondContact O-N 2.84Å; D240-G242 VanDerWaalsContact C-N 3.26Å; D240-G242 PolarHBondContact O-N 3.43Å; D240-G242 PolarHBondContact OD1-N 3.23Å; D240-Q243 HydrophobicContact CB-CG 4.39Å; D240-R248 PolarHBondContact O-NH2 2.97Å
241	S	48.4	Very low	55	Low	112 Å²	112	97.2 Å²	97.2	78%	0.783	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.9	-13.5	-177.5	55.2	0	0	0	0	113.2	V239	V239-S241 PolarHBondContact O-N 2.81Å
242	G	51.7	Low	56.5	Low	67 Å²	67	95.3 Å²	95.3	69%	0.691	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-10.4	179.8	0	0	0	0	0	116.4	D240	D240-G242 VanDerWaalsContact C-N 3.26Å; D240-G242 PolarHBondContact O-N 3.43Å; D240-G242 PolarHBondContact OD1-N 3.23Å
243	Q	62.5	Low	57.9	Low	77 Å²	77	90.7 Å²	90.7	36%	0.36	51%	0.514	S	S	.	.	S	Bend	trans	-74.1	144.7	-172.5	-66.1	-179.6	-1	0	0	113.7	D240 Y247	D240-Q243 HydrophobicContact CB-CG 4.39Å; Q243-Y247 HydrophobicContact CB-CD1 4.34Å; Q243-Y247 VanDerWaalsContact OE1-CE1 3.29Å
244	S	68.6	Low	59.4	Low	72 Å²	72	93.1 Å²	93.1	50%	0.503	51%	0.507	S	S	.	.			trans	-67.7	149	-179.3	76.9	0	0	0	0	112.3	S246 Y247 R248	S244-S246 VanDerWaalsContact C-N 3.25Å; S244-S246 PolarHBondContact O-N 3Å; S244-Y247 PolarHBondContact O-N 2.74Å; S244-Y247 PolarHBondContact OG-N 3.47Å; S244-R248 PolarHBondContact O-N 2.78Å; S244-R248 VanDerWaalsContact O-N 3.1Å
245	I	69.3	Low	61.3	Low	31 Å²	31	88.9 Å²	88.9	16%	0.159	48%	0.478	C	S	.	.	H	α-helix	trans	-65.9	-29.8	-180	-159.5	179.3	0	0	0	112.4	C203 L206 N207 I210 R248 L249	C203-I245 HydrophobicContact CB-CD1 3.57Å; L206-I245 HydrophobicContact CB-CD1 4.21Å; L206-I245 HydrophobicContact CD2-CD1 3.99Å; L206-I245 HydrophobicContact CG-CD1 3.95Å; N207-I245 HydrophobicContact CB-CD1 3.81Å; N207-I245 HydrophobicContact CB-CG1 4.28Å; I210-I245 HydrophobicContact CD1-CD1 4.2Å; I210-I245 HydrophobicContact CD1-CG1 3.99Å; I245-R248 PolarHBondContact O-N 3.05Å; I245-L249 WeakPolarHBondContact O-CB 3.17Å; I245-L249 WeakPolarHBondContact O-CG 3.44Å; I245-L249 PolarHBondContact O-N 3.02Å
246	S	65.6	Low	62.7	Low	84 Å²	84	83 Å²	83	59%	0.587	46%	0.456	S	S	*	.	H	α-helix	trans	-60.5	-44.8	173.1	168.9	0	0	0	0	111.6	S244 L249 E250	S244-S246 VanDerWaalsContact C-N 3.25Å; S244-S246 PolarHBondContact O-N 3Å; S246-L249 PolarHBondContact O-N 3.44Å; S246-E250 WeakPolarHBondContact O-CB 3.46Å; S246-E250 PolarHBondContact O-N 3.38Å
247	Y	72.4	Confident	63.7	Low	97 Å²	97	82.1 Å²	82.1	38%	0.38	45%	0.446	S	S	.	.	H	α-helix	trans	-65.3	-40.9	175	-177.8	-101.1	0	0	0	111.9	Q243 S244 L249 E250 Q251	Q243-Y247 HydrophobicContact CB-CD1 4.34Å; Q243-Y247 VanDerWaalsContact OE1-CE1 3.29Å; S244-Y247 PolarHBondContact O-N 2.74Å; S244-Y247 PolarHBondContact OG-N 3.47Å; Y247-L249 PolarHBondContact O-N 3.4Å; Y247-E250 WeakPolarHBondContact O-CB 3.23Å; Y247-E250 PolarHBondContact O-N 3Å; Y247-Q251 HydrophobicContact CD1-CG 4.21Å; Y247-Q251 HydrophobicContact CE1-CG 3.88Å; Y247-Q251 VanDerWaalsContact CZ-NE2 3.27Å; Y247-Q251 WeakPolarHBondContact O-CG 3.5Å; Y247-Q251 PolarHBondContact O-N 3.27Å; Y247-Q251 PolarHBondContact OH-NE2 2.8Å; Y247-Q251 VanDerWaalsContact OH-NE2 3.1Å
248	R	73.4	Confident	65.3	Low	23 Å²	23	76.5 Å²	76.5	9%	0.087	42%	0.421	C	S	.	.	H	α-helix	trans	-64.7	-37.8	176.8	-70.1	-179.9	167.6	-144	-7.3	112.9	N207 I210 S211 D240 S244 I245 L252	N207-R248 WeakPolarHBondContact OD1-CD 3.49Å; N207-R248 PolarHBondContact OD1-NH1 3.09Å; N207-R248 VanDerWaalsContact OD1-NH1 3.15Å; I210-R248 HydrophobicContact CG2-CB 4.22Å; S211-R248 PolarHBondContact OG-NH1 2.62Å; D240-R248 PolarHBondContact O-NH2 2.97Å; S244-R248 PolarHBondContact O-N 2.78Å; S244-R248 VanDerWaalsContact O-N 3.1Å; I245-R248 PolarHBondContact O-N 3.05Å; R248-L252 WeakPolarHBondContact O-CB 3.44Å; R248-L252 PolarHBondContact O-N 3.11Å
249	L	72.7	Confident	67	Low	63 Å²	63	70.2 Å²	70.2	33%	0.33	39%	0.388	S	S	.	.	H	α-helix	trans	-64	-45.3	171.2	-78.6	165.3	0	0	0	111.4	L206 I210 I245 S246 Y247 Q251 L252 T253	L206-L249 HydrophobicContact CD2-CD1 4.43Å; I210-L249 HydrophobicContact CD1-CD2 3.63Å; I210-L249 HydrophobicContact CD1-CG 3.8Å; I210-L249 HydrophobicContact CG1-CD2 4.37Å; I245-L249 WeakPolarHBondContact O-CB 3.17Å; I245-L249 WeakPolarHBondContact O-CG 3.44Å; I245-L249 PolarHBondContact O-N 3.02Å; S246-L249 PolarHBondContact O-N 3.44Å; Y247-L249 PolarHBondContact O-N 3.4Å; L249-Q251 VanDerWaalsContact C-N 3.33Å; L249-Q251 PolarHBondContact O-N 2.9Å; L249-L252 WeakPolarHBondContact O-CB 3.29Å; L249-L252 PolarHBondContact O-N 3.41Å; L249-T253 PolarHBondContact O-N 2.96Å; L249-T253 PolarHBondContact O-OG1 3.04Å
250	E	70.9	Confident	68	Low	88 Å²	88	69.8 Å²	69.8	41%	0.411	38%	0.38	S	S	.	.	H	α-helix	trans	-59.6	-42.6	177.4	-166.2	-166.6	165.4	0	0	112	S246 Y247 T253 K254	S246-E250 WeakPolarHBondContact O-CB 3.46Å; S246-E250 PolarHBondContact O-N 3.38Å; Y247-E250 WeakPolarHBondContact O-CB 3.23Å; Y247-E250 PolarHBondContact O-N 3Å; E250-T253 PolarHBondContact O-N 2.82Å; E250-K254 HydrophobicContact CG-CD 4.4Å; E250-K254 WeakPolarHBondContact O-CB 3.26Å; E250-K254 VanDerWaalsContact O-CG 3.3Å; E250-K254 WeakPolarHBondContact O-CG 3.3Å; E250-K254 PolarHBondContact O-N 2.81Å; E250-K254 VanDerWaalsContact OE1-CE 3.24Å; E250-K254 WeakPolarHBondContact OE1-CE 3.45Å; E250-K254 IonicContact OE1-NZ 3.98Å; E250-K254 PolarHBondContact OE1-NZ 2.69Å
251	Q	75.6	Confident	68.9	Low	68 Å²	68	70.6 Å²	70.6	32%	0.318	38%	0.384	S	S	.	.	H	α-helix	trans	-64.8	-43.2	174.2	-67.1	-62.1	-20.8	0	0	112.1	Y247 L249 T253 K254 L255	Y247-Q251 HydrophobicContact CD1-CG 4.21Å; Y247-Q251 HydrophobicContact CE1-CG 3.88Å; Y247-Q251 VanDerWaalsContact CZ-NE2 3.27Å; Y247-Q251 WeakPolarHBondContact O-CG 3.5Å; Y247-Q251 PolarHBondContact O-N 3.27Å; Y247-Q251 PolarHBondContact OH-NE2 2.8Å; Y247-Q251 VanDerWaalsContact OH-NE2 3.1Å; L249-Q251 VanDerWaalsContact C-N 3.33Å; L249-Q251 PolarHBondContact O-N 2.9Å; Q251-T253 PolarHBondContact O-N 3.3Å; Q251-K254 PolarHBondContact O-N 3.19Å; Q251-L255 VanDerWaalsContact O-CB 3.27Å; Q251-L255 WeakPolarHBondContact O-CB 3.05Å; Q251-L255 PolarHBondContact O-N 3.33Å
252	L	77.1	Confident	70.3	Confident	24 Å²	24	67.2 Å²	67.2	13%	0.126	36%	0.355	C	S	.	.	H	α-helix	trans	-60.3	-44.5	175.9	-176.5	68.3	0	0	0	111.7	I210 L214 L217 R248 L249 L255 L256	I210-L252 HydrophobicContact CG1-CD2 4.07Å; I210-L252 HydrophobicContact CG2-CD2 4.39Å; L214-L252 HydrophobicContact CD1-CB 4.22Å; L214-L252 HydrophobicContact CD1-CD1 3.78Å; L217-L252 HydrophobicContact CD1-CD1 3.46Å; L217-L252 VanDerWaalsContact CD1-CD1 3.46Å; R248-L252 WeakPolarHBondContact O-CB 3.44Å; R248-L252 PolarHBondContact O-N 3.11Å; L249-L252 WeakPolarHBondContact O-CB 3.29Å; L249-L252 PolarHBondContact O-N 3.41Å; L252-L255 PolarHBondContact O-N 2.98Å; L252-L256 HydrophobicContact CG-CD1 4.13Å; L252-L256 WeakPolarHBondContact O-CB 3.34Å; L252-L256 WeakPolarHBondContact O-CG 3.28Å; L252-L256 PolarHBondContact O-N 3.27Å
253	T	68.4	Low	71.2	Confident	68 Å²	68	65.2 Å²	65.2	42%	0.417	33%	0.332	S	S	.	.	H	α-helix	trans	-64.3	-44.8	176.8	-63.6	0	0	0	0	111.9	L249 E250 Q251 L255 L256 Y257	L249-T253 PolarHBondContact O-N 2.96Å; L249-T253 PolarHBondContact O-OG1 3.04Å; E250-T253 PolarHBondContact O-N 2.82Å; Q251-T253 PolarHBondContact O-N 3.3Å; T253-L255 VanDerWaalsContact C-N 3.35Å; T253-L255 PolarHBondContact O-N 3.07Å; T253-L256 PolarHBondContact O-N 2.83Å; T253-Y257 HydrophobicContact CG2-CD2 3.78Å; T253-Y257 HydrophobicContact CG2-CE2 3.5Å; T253-Y257 VanDerWaalsContact CG2-CE2 3.5Å; T253-Y257 VanDerWaalsContact O-CD2 3.26Å; T253-Y257 WeakPolarHBondContact O-CD2 3.24Å; T253-Y257 PolarHBondContact O-N 3.01Å
254	K	72.4	Confident	71	Confident	109 Å²	109	65.9 Å²	65.9	47%	0.474	33%	0.334	S	S	.	.	H	α-helix	trans	-61.2	-42.3	175.2	-75.3	171.5	-179.2	173.7	0	112.1	E250 Q251 S258	E250-K254 HydrophobicContact CG-CD 4.4Å; E250-K254 WeakPolarHBondContact O-CB 3.26Å; E250-K254 VanDerWaalsContact O-CG 3.3Å; E250-K254 WeakPolarHBondContact O-CG 3.3Å; E250-K254 PolarHBondContact O-N 2.81Å; E250-K254 VanDerWaalsContact OE1-CE 3.24Å; E250-K254 WeakPolarHBondContact OE1-CE 3.45Å; E250-K254 IonicContact OE1-NZ 3.98Å; E250-K254 PolarHBondContact OE1-NZ 2.69Å; Q251-K254 PolarHBondContact O-N 3.19Å; K254-S258 WeakPolarHBondContact O-CB 3.36Å; K254-S258 PolarHBondContact O-N 3.18Å
255	L	79.3	Confident	70.5	Confident	22 Å²	22	65.6 Å²	65.6	12%	0.115	33%	0.332	C	S	.	.	H	α-helix	trans	-65.1	-45.5	177.5	-177	63.6	0	0	0	111.5	L214 L217 E218 H221 Q251 L252 T253 S258 I259	L214-L255 HydrophobicContact CD1-CD2 3.64Å; L214-L255 HydrophobicContact CG-CD2 4.39Å; L217-L255 HydrophobicContact CB-CD2 3.63Å; L217-L255 HydrophobicContact CB-CG 4.25Å; E218-L255 HydrophobicContact CG-CD2 3.84Å; H221-L255 HydrophobicContact CB-CD1 3.74Å; Q251-L255 VanDerWaalsContact O-CB 3.27Å; Q251-L255 WeakPolarHBondContact O-CB 3.05Å; Q251-L255 PolarHBondContact O-N 3.33Å; L252-L255 PolarHBondContact O-N 2.98Å; T253-L255 VanDerWaalsContact C-N 3.35Å; T253-L255 PolarHBondContact O-N 3.07Å; L255-S258 PolarHBondContact O-N 3.37Å; L255-I259 HydrophobicContact CD1-CD1 4.27Å; L255-I259 HydrophobicContact CD1-CG1 4.47Å; L255-I259 HydrophobicContact CG-CD1 3.92Å; L255-I259 WeakPolarHBondContact O-CB 2.99Å; L255-I259 VanDerWaalsContact O-CG1 3.26Å; L255-I259 WeakPolarHBondContact O-CG1 3.25Å; L255-I259 PolarHBondContact O-N 3.45Å
256	L	71.3	Confident	70.3	Confident	80 Å²	80	65.6 Å²	65.6	42%	0.419	33%	0.334	S	S	.	.	H	α-helix	trans	-59.6	-47	176.7	-78.4	168	0	0	0	112.2	L217 L252 T253 S258 I259 E260	L217-L256 HydrophobicContact CD1-CD2 3.64Å; L217-L256 HydrophobicContact CD1-CG 3.96Å; L217-L256 HydrophobicContact CD2-CD2 3.9Å; L217-L256 HydrophobicContact CG-CD2 4.44Å; L252-L256 HydrophobicContact CG-CD1 4.13Å; L252-L256 WeakPolarHBondContact O-CB 3.34Å; L252-L256 WeakPolarHBondContact O-CG 3.28Å; L252-L256 PolarHBondContact O-N 3.27Å; T253-L256 PolarHBondContact O-N 2.83Å; L256-S258 VanDerWaalsContact C-N 3.34Å; L256-S258 PolarHBondContact O-N 2.93Å; L256-I259 PolarHBondContact O-N 3.46Å; L256-E260 WeakPolarHBondContact O-CB 3.44Å; L256-E260 PolarHBondContact O-N 2.94Å
257	Y	62.7	Low	70	Confident	155 Å²	155	65.7 Å²	65.7	61%	0.608	33%	0.331	S	S	*	.	H	α-helix	trans	-62.8	-38.9	175	-76.1	-54.1	0	0	0	112.5	T253 E260 D261	T253-Y257 HydrophobicContact CG2-CD2 3.78Å; T253-Y257 HydrophobicContact CG2-CE2 3.5Å; T253-Y257 VanDerWaalsContact CG2-CE2 3.5Å; T253-Y257 VanDerWaalsContact O-CD2 3.26Å; T253-Y257 WeakPolarHBondContact O-CD2 3.24Å; T253-Y257 PolarHBondContact O-N 3.01Å; Y257-E260 PolarHBondContact O-N 3.17Å; Y257-D261 WeakPolarHBondContact O-CB 3.4Å; Y257-D261 PolarHBondContact O-N 2.84Å
258	S	75.8	Confident	69	Low	39 Å²	39	65.6 Å²	65.6	27%	0.273	33%	0.333	S	S	.	.	H	α-helix	trans	-69.3	-35.3	177.7	-165.7	0	0	0	0	112.7	H221 K254 L255 L256 K262	H221-S258 WeakPolarHBondContact NE2-CB 3.38Å; H221-S258 PolarHBondContact NE2-OG 3.04Å; K254-S258 WeakPolarHBondContact O-CB 3.36Å; K254-S258 PolarHBondContact O-N 3.18Å; L255-S258 PolarHBondContact O-N 3.37Å; L256-S258 VanDerWaalsContact C-N 3.34Å; L256-S258 PolarHBondContact O-N 2.93Å; S258-K262 WeakPolarHBondContact O-CB 3.32Å; S258-K262 VanDerWaalsContact O-CG 3.29Å; S258-K262 WeakPolarHBondContact O-CG 3.4Å; S258-K262 PolarHBondContact O-N 3.3Å
259	I	79.7	Confident	68.1	Low	10 Å²	10	71.2 Å²	71.2	5%	0.051	36%	0.36	C	S	.	.	H	α-helix	trans	-63.3	-48.6	170.5	-72.2	166.2	0	0	0	110.2	L217 F220 H221 L224 L255 L256 D261 K262 A263	L217-I259 HydrophobicContact CB-CD1 3.7Å; L217-I259 HydrophobicContact CD2-CD1 3.82Å; L217-I259 HydrophobicContact CG-CD1 4.29Å; L217-I259 VanDerWaalsContact O-CD1 3.27Å; L217-I259 WeakPolarHBondContact O-CD1 3.16Å; F220-I259 HydrophobicContact CD1-CD1 4.38Å; F220-I259 HydrophobicContact CD1-CG2 3.47Å; F220-I259 VanDerWaalsContact CD1-CG2 3.47Å; F220-I259 HydrophobicContact CE1-CG2 3.35Å; F220-I259 HydrophobicContact CG-CG2 4.35Å; F220-I259 HydrophobicContact CZ-CG2 4.15Å; H221-I259 HydrophobicContact CB-CD1 4.12Å; H221-I259 HydrophobicContact CB-CG1 3.64Å; L224-I259 HydrophobicContact CD1-CG2 4.04Å; L255-I259 HydrophobicContact CD1-CD1 4.27Å; L255-I259 HydrophobicContact CD1-CG1 4.47Å; L255-I259 HydrophobicContact CG-CD1 3.92Å; L255-I259 WeakPolarHBondContact O-CB 2.99Å; L255-I259 VanDerWaalsContact O-CG1 3.26Å; L255-I259 WeakPolarHBondContact O-CG1 3.25Å; L255-I259 PolarHBondContact O-N 3.45Å; L256-I259 PolarHBondContact O-N 3.46Å; I259-D261 VanDerWaalsContact C-N 3.34Å; I259-D261 PolarHBondContact O-N 3.36Å; I259-K262 PolarHBondContact O-N 2.93Å; I259-A263 WeakPolarHBondContact O-CB 3.37Å; I259-A263 PolarHBondContact O-N 2.73Å
260	E	65.3	Low	67.2	Low	90 Å²	90	72.4 Å²	72.4	42%	0.421	38%	0.379	S	S	.	.	H	α-helix	trans	-60.9	-43.4	-178.2	-166.1	-169.6	176.4	0	0	111.4	L256 Y257 K264	L256-E260 WeakPolarHBondContact O-CB 3.44Å; L256-E260 PolarHBondContact O-N 2.94Å; Y257-E260 PolarHBondContact O-N 3.17Å; E260-K264 HydrophobicContact CG-CD 4.28Å; E260-K264 VanDerWaalsContact O-CB 3.3Å; E260-K264 WeakPolarHBondContact O-CB 3.29Å; E260-K264 WeakPolarHBondContact O-CD 3.48Å; E260-K264 WeakPolarHBondContact O-CG 3.41Å; E260-K264 PolarHBondContact O-N 3.31Å; E260-K264 VanDerWaalsContact OE1-CE 3.24Å; E260-K264 WeakPolarHBondContact OE1-CE 3.43Å; E260-K264 IonicContact OE1-NZ 2.74Å; E260-K264 PolarHBondContact OE1-NZ 2.97Å; E260-K264 IonicContact OE2-NZ 3.64Å
261	D	63.5	Low	66	Low	103 Å²	103	73.3 Å²	73.3	55%	0.551	39%	0.39	S	S	*	.	H	α-helix	trans	-67.9	-43.5	178.5	-169.7	63.7	0	0	0	112.9	Y257 I259 S265	Y257-D261 WeakPolarHBondContact O-CB 3.4Å; Y257-D261 PolarHBondContact O-N 2.84Å; I259-D261 VanDerWaalsContact C-N 3.34Å; I259-D261 PolarHBondContact O-N 3.36Å; D261-S265 WeakPolarHBondContact O-CB 3.32Å; D261-S265 PolarHBondContact O-N 2.89Å; D261-S265 PolarHBondContact O-OG 2.83Å
262	K	77.4	Confident	64.7	Low	42 Å²	42	73.3 Å²	73.3	18%	0.183	41%	0.409	C	S	.	.	H	α-helix	trans	-69.9	-36.6	175.8	-69.8	-174.8	-173.7	-166.7	0	112.9	H221 L224 D225 S258 I259 S265 S266	H221-K262 VanDerWaalsContact NE2-CE 3.29Å; H221-K262 WeakPolarHBondContact NE2-CE 3.16Å; L224-K262 HydrophobicContact CB-CB 3.94Å; L224-K262 HydrophobicContact CD1-CB 4.34Å; D225-K262 IonicContact OD1-NZ 3.69Å; D225-K262 PolarHBondContact OD1-NZ 3.29Å; D225-K262 IonicContact OD2-NZ 2.66Å; D225-K262 PolarHBondContact OD2-NZ 2.9Å; S258-K262 WeakPolarHBondContact O-CB 3.32Å; S258-K262 VanDerWaalsContact O-CG 3.29Å; S258-K262 WeakPolarHBondContact O-CG 3.4Å; S258-K262 PolarHBondContact O-N 3.3Å; I259-K262 PolarHBondContact O-N 2.93Å; K262-S265 PolarHBondContact O-N 3.43Å; K262-S266 WeakPolarHBondContact O-CB 3.41Å; K262-S266 PolarHBondContact O-N 3.37Å; K262-S266 PolarHBondContact O-OG 2.62Å
263	A	71.9	Confident	62.9	Low	24 Å²	24	79.2 Å²	79.2	20%	0.198	43%	0.431	C	S	.	.	H	α-helix	trans	-66.2	-47.2	175.1	0	0	0	0	0	111	L224 I259 S266 V267	L224-A263 HydrophobicContact CD1-CB 3.9Å; L224-A263 HydrophobicContact CD2-CB 4.31Å; I259-A263 WeakPolarHBondContact O-CB 3.37Å; I259-A263 PolarHBondContact O-N 2.73Å; A263-S266 PolarHBondContact O-N 3.29Å; A263-V267 WeakPolarHBondContact O-CB 3.37Å; A263-V267 VanDerWaalsContact O-CG2 3.26Å; A263-V267 WeakPolarHBondContact O-CG2 3.45Å; A263-V267 PolarHBondContact O-N 3.15Å
264	K	57.9	Low	61.8	Low	92 Å²	92	83 Å²	83	40%	0.4	45%	0.449	S	S	.	.	H	α-helix	trans	-54.9	-52.6	171.7	-78.8	169.2	-175.1	168.6	0	111.1	E260 S266 V267 F268	E260-K264 HydrophobicContact CG-CD 4.28Å; E260-K264 VanDerWaalsContact O-CB 3.3Å; E260-K264 WeakPolarHBondContact O-CB 3.29Å; E260-K264 WeakPolarHBondContact O-CD 3.48Å; E260-K264 WeakPolarHBondContact O-CG 3.41Å; E260-K264 PolarHBondContact O-N 3.31Å; E260-K264 VanDerWaalsContact OE1-CE 3.24Å; E260-K264 WeakPolarHBondContact OE1-CE 3.43Å; E260-K264 IonicContact OE1-NZ 2.74Å; E260-K264 PolarHBondContact OE1-NZ 2.97Å; E260-K264 IonicContact OE2-NZ 3.64Å; K264-S266 PolarHBondContact O-N 3.36Å; K264-V267 PolarHBondContact O-N 2.88Å; K264-F268 HydrophobicContact CB-CD2 4.15Å; K264-F268 HydrophobicContact CB-CE2 3.84Å; K264-F268 HydrophobicContact CG-CE2 4.27Å; K264-F268 WeakPolarHBondContact O-CB 3.43Å; K264-F268 WeakPolarHBondContact O-CD2 3.47Å; K264-F268 WeakPolarHBondContact O-CG 3.46Å; K264-F268 PolarHBondContact O-N 2.66Å
265	S	59.2	Low	60.2	Low	65 Å²	65	79.5 Å²	79.5	46%	0.455	44%	0.443	S	S	.	.	H	α-helix	trans	-56.1	-50.1	-180	-61.5	0	0	0	0	112.2	D261 K262 V267 F268 E269	D261-S265 WeakPolarHBondContact O-CB 3.32Å; D261-S265 PolarHBondContact O-N 2.89Å; D261-S265 PolarHBondContact O-OG 2.83Å; K262-S265 PolarHBondContact O-N 3.43Å; S265-V267 PolarHBondContact O-N 2.91Å; S265-F268 PolarHBondContact O-N 2.65Å; S265-E269 WeakPolarHBondContact O-CB 3.47Å; S265-E269 PolarHBondContact O-N 3.04Å
266	S	64.9	Low	58.7	Low	31 Å²	31	80.4 Å²	80.4	22%	0.217	46%	0.458	C	S	.	.	H	α-helix	trans	-63.9	-37.5	179.4	-55.1	0	0	0	0	112.8	K262 A263 K264 A270	K262-S266 WeakPolarHBondContact O-CB 3.41Å; K262-S266 PolarHBondContact O-N 3.37Å; K262-S266 PolarHBondContact O-OG 2.62Å; A263-S266 PolarHBondContact O-N 3.29Å; K264-S266 PolarHBondContact O-N 3.36Å; S266-A270 VanDerWaalsContact O-CB 3.25Å; S266-A270 WeakPolarHBondContact O-CB 3.24Å; S266-A270 PolarHBondContact O-N 3.43Å
267	V	58.5	Low	57	Low	87 Å²	87	85.1 Å²	85.1	53%	0.527	48%	0.478	S	S	.	.	H	α-helix	trans	-73	-40.7	178.1	170.5	0	0	0	0	111.5	A263 K264 S265 A270 V271	A263-V267 WeakPolarHBondContact O-CB 3.37Å; A263-V267 VanDerWaalsContact O-CG2 3.26Å; A263-V267 WeakPolarHBondContact O-CG2 3.45Å; A263-V267 PolarHBondContact O-N 3.15Å; K264-V267 PolarHBondContact O-N 2.88Å; S265-V267 PolarHBondContact O-N 2.91Å; V267-A270 PolarHBondContact O-N 3.45Å; V267-V271 HydrophobicContact CG1-CG2 4.27Å; V267-V271 WeakPolarHBondContact O-CB 3.4Å; V267-V271 VanDerWaalsContact O-CG2 3.24Å; V267-V271 WeakPolarHBondContact O-CG2 3.43Å; V267-V271 PolarHBondContact O-N 3.21Å
268	F	50.8	Low	56.1	Low	94 Å²	94	86.8 Å²	86.8	41%	0.412	48%	0.483	S	S	.	.	H	α-helix	trans	-66.1	-39.1	176.3	-68.3	-46.6	0	0	0	112	K264 S265 G272 Y273	K264-F268 HydrophobicContact CB-CD2 4.15Å; K264-F268 HydrophobicContact CB-CE2 3.84Å; K264-F268 HydrophobicContact CG-CE2 4.27Å; K264-F268 WeakPolarHBondContact O-CB 3.43Å; K264-F268 WeakPolarHBondContact O-CD2 3.47Å; K264-F268 WeakPolarHBondContact O-CG 3.46Å; K264-F268 PolarHBondContact O-N 2.66Å; S265-F268 PolarHBondContact O-N 2.65Å; F268-G272 PolarHBondContact O-N 3.01Å; F268-G272 VanDerWaalsContact O-N 3.11Å; F268-Y273 AromaticContact CD1-CD1 3.85Å; F268-Y273 HydrophobicContact CD1-CD1 3.85Å; F268-Y273 AromaticContact CE1-CD1 3.95Å; F268-Y273 HydrophobicContact CE1-CD1 3.95Å; F268-Y273 HydrophobicContact CE1-CE1 4.47Å; F268-Y273 PolarHBondContact O-N 1.91Å; F268-Y273 VanDerWaalsContact O-N 3.11Å
269	E	54.5	Low	54.5	Low	141 Å²	141	93.7 Å²	93.7	66%	0.659	51%	0.508	S	S	*	.	H	α-helix	trans	-63	-47.4	173	-173.8	169.6	-130.3	0	0	111.6	S265 V271 G272	S265-E269 WeakPolarHBondContact O-CB 3.47Å; S265-E269 PolarHBondContact O-N 3.04Å; E269-V271 PolarHBondContact O-N 3.06Å; E269-G272 PolarHBondContact O-N 3.03Å
270	A	54.4	Low	53.1	Low	89 Å²	89	95.6 Å²	95.6	74%	0.736	52%	0.522	S	S	*	.	H	α-helix	trans	-69.1	-27.2	-179.7	0	0	0	0	0	114.6	S266 V267	S266-A270 VanDerWaalsContact O-CB 3.25Å; S266-A270 WeakPolarHBondContact O-CB 3.24Å; S266-A270 PolarHBondContact O-N 3.43Å; V267-A270 PolarHBondContact O-N 3.45Å
271	V	46	Very low	53	Low	106 Å²	106	97.8 Å²	97.8	64%	0.642	54%	0.536	S	S	*	.	H	α-helix	trans	-94.1	-6.7	179.8	179.1	0	0	0	0	112	V267 E269 Y273	V267-V271 HydrophobicContact CG1-CG2 4.27Å; V267-V271 WeakPolarHBondContact O-CB 3.4Å; V267-V271 VanDerWaalsContact O-CG2 3.24Å; V267-V271 WeakPolarHBondContact O-CG2 3.43Å; V267-V271 PolarHBondContact O-N 3.21Å; E269-V271 PolarHBondContact O-N 3.06Å; V271-Y273 PolarHBondContact O-N 3.36Å
272	G	47	Very low	53.5	Low	69 Å²	69	93.5 Å²	93.5	71%	0.711	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.9	24.4	-177.7	0	0	0	0	0	113.4	F268 E269	F268-G272 PolarHBondContact O-N 3.01Å; F268-G272 VanDerWaalsContact O-N 3.11Å; E269-G272 PolarHBondContact O-N 3.03Å
273	Y	39.6	Very low	53.8	Low	147 Å²	147	94.3 Å²	94.3	58%	0.576	52%	0.522	S	S	*	.			trans	-97.5	94.7	-175.1	-171.6	-95.6	0	0	0	109.7	F268 V271 G275	F268-Y273 AromaticContact CD1-CD1 3.85Å; F268-Y273 HydrophobicContact CD1-CD1 3.85Å; F268-Y273 AromaticContact CE1-CD1 3.95Å; F268-Y273 HydrophobicContact CE1-CD1 3.95Å; F268-Y273 HydrophobicContact CE1-CE1 4.47Å; F268-Y273 PolarHBondContact O-N 1.91Å; F268-Y273 VanDerWaalsContact O-N 3.11Å; V271-Y273 PolarHBondContact O-N 3.36Å; Y273-G275 PolarHBondContact O-N 3.18Å
274	D	46.4	Very low	54.4	Low	149 Å²	149	97.7 Å²	97.7	80%	0.797	54%	0.536	S	S	*	.			trans	-71.3	76.5	176.2	-163.3	-1.6	0	0	0	110.5
275	G	38.3	Very low	55.9	Low	34 Å²	34	94.1 Å²	94.1	35%	0.351	52%	0.522	S	S	.	.			trans	-99.1	3.6	-164.2	0	0	0	0	0	115.7	Y273	Y273-G275 PolarHBondContact O-N 3.18Å
276	G	48.6	Very low	57.5	Low	42 Å²	42	94.3 Å²	94.3	43%	0.433	52%	0.523	S	S	.	.			trans	61.9	95	162.2	0	0	0	0	0	118.3
277	H	34.2	Very low	58.8	Low	179 Å²	179	93.1 Å²	93.1	83%	0.829	51%	0.514	S	S	*	.			trans	-134.6	123.3	139	-107	43.4	0	0	0	110.9
278	R	44.5	Very low	60.4	Low	189 Å²	189	92.5 Å²	92.5	71%	0.713	51%	0.505	S	S	*	.	S	Bend	trans	45.8	70.1	163.1	-69.3	-178.6	164.8	169.3	-7.5	118.3	E483	R278-E483 IonicContact CZ-OE2 3.78Å; R278-E483 IonicContact NE-OE2 3.77Å; R278-E483 PolarHBondContact NE-OE2 2.89Å; R278-E483 VanDerWaalsContact NH2-CB 3.3Å; R278-E483 IonicContact NH2-OE2 2.75Å; R278-E483 PolarHBondContact NH2-OE2 3.42Å
279	K	42.3	Very low	62.4	Low	185 Å²	185	88.2 Å²	88.2	80%	0.804	49%	0.487	S	S	*	.				-114.1	122.9	129.3	-73.2	178.7	-177.4	169.2	0	107.9	L281	K279-L281 HydrophobicContact CB-CD2 4.37Å; K279-L281 HydrophobicContact CB-CG 4.46Å
280	S	50.9	Low	64.2	Low	49 Å²	49	86.3 Å²	86.3	34%	0.343	48%	0.477	S	S	.	.			trans	-80.7	135.7	162.8	-166.9	0	0	0	0	106.8
281	L	62.9	Low	65.9	Low	136 Å²	136	84.2 Å²	84.2	71%	0.712	45%	0.452	S	S	*	.			trans	-121.3	45.5	-175.5	-65.9	174.6	0	0	0	110	K279 P283	K279-L281 HydrophobicContact CB-CD2 4.37Å; K279-L281 HydrophobicContact CB-CG 4.46Å; L281-P283 VanDerWaalsContact O-CD 3.27Å; L281-P283 WeakPolarHBondContact O-CD 3.44Å
282	I	74.5	Confident	67.5	Low	14 Å²	14	83.8 Å²	83.8	7%	0.072	44%	0.442	C	S	.	.			trans	-65.2	114.6	168.6	-63.7	168.3	0	0	0	106.7	V306 L373 H427 I428	I282-V306 HydrophobicContact CB-CB 4.36Å; I282-V306 HydrophobicContact CD1-CB 4.45Å; I282-V306 HydrophobicContact CD1-CG1 3.92Å; I282-V306 HydrophobicContact CG2-CB 4.14Å; I282-V306 HydrophobicContact CG2-CG2 3.9Å; I282-L373 HydrophobicContact CG2-CD2 3.68Å; I282-H427 HydrophobicContact CG1-CB 4.28Å; I282-I428 HydrophobicContact CD1-CG1 4.13Å
283	P	81.8	Confident	68.7	Low	59 Å²	59	83.1 Å²	83.1	38%	0.383	43%	0.427	S	S	.	.			trans	-68.1	156.6	-176.8	29.2	-35.1	0	0	0	110.7	L281 V285	L281-P283 VanDerWaalsContact O-CD 3.27Å; L281-P283 WeakPolarHBondContact O-CD 3.44Å; P283-V285 VanDerWaalsContact O-CG2 3.31Å; P283-V285 WeakPolarHBondContact O-CG2 3.45Å; P283-V285 PolarHBondContact O-N 3.39Å
284	I	85.9	Confident	70	Confident	95 Å²	95	84.9 Å²	84.9	49%	0.487	45%	0.445	S	S	.	.			trans	-67	103.9	175.1	-58.7	178.9	0	0	0	109	K303 V304 D305	I284-K303 HydrophobicContact CG2-CB 4.17Å; I284-V304 WeakPolarHBondContact CA-O 3.29Å; I284-D305 HydrophobicContact CD1-CB 4.22Å; I284-D305 HydrophobicContact CG1-CB 4.05Å; I284-D305 HydrophobicContact CG2-CB 4.38Å
285	V	89.8	Confident	70.9	Confident	17 Å²	17	81.8 Å²	81.8	10%	0.103	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	136.6	-176.2	-172.2	0	0	0	0	110.4	P283 F287 K303 V304 L373 T424	P283-V285 VanDerWaalsContact O-CG2 3.31Å; P283-V285 WeakPolarHBondContact O-CG2 3.45Å; P283-V285 PolarHBondContact O-N 3.39Å; V285-F287 HydrophobicContact CB-CE2 3.91Å; V285-F287 HydrophobicContact CG1-CD2 4.01Å; V285-F287 HydrophobicContact CG1-CE2 3.36Å; V285-F287 HydrophobicContact CG1-CZ 3.67Å; V285-K303 CarbonylContact O-C 3.45Å; V285-K303 VanDerWaalsContact O-CA 3.29Å; V285-K303 WeakPolarHBondContact O-CA 3.16Å; V285-V304 PolarHBondContact N-O 2.92Å; V285-V304 PolarHBondContact O-N 3.48Å; V285-L373 HydrophobicContact CB-CD1 3.81Å; V285-L373 HydrophobicContact CG1-CD1 4.08Å; V285-L373 HydrophobicContact CG2-CD1 3.7Å; V285-L373 HydrophobicContact CG2-CD2 4.17Å; V285-T424 HydrophobicContact CG1-CG2 3.53Å
286	S	91.8	Very high	72.6	Confident	68 Å²	68	85.6 Å²	85.6	48%	0.476	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	129.4	177	-60.3	0	0	0	0	111.3	L302	S286-L302 CarbonylContact C-O 3.6Å; S286-L302 WeakPolarHBondContact CA-O 3.39Å
287	F	92.3	Very high	74.2	Confident	7 Å²	7	86.9 Å²	86.9	3%	0.031	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	123.5	179.5	-66.3	-95.6	0	0	0	110.4	V285 V289 V301 L302 V304 F361 K366 F370 L373 T424	V285-F287 HydrophobicContact CB-CE2 3.91Å; V285-F287 HydrophobicContact CG1-CD2 4.01Å; V285-F287 HydrophobicContact CG1-CE2 3.36Å; V285-F287 HydrophobicContact CG1-CZ 3.67Å; F287-V289 HydrophobicContact CB-CG1 4.45Å; F287-V301 CarbonylContact O-C 3.55Å; F287-V301 VanDerWaalsContact O-CA 3.28Å; F287-V301 WeakPolarHBondContact O-CA 3.38Å; F287-L302 PolarHBondContact N-O 3.46Å; F287-L302 PolarHBondContact O-N 3.28Å; F287-V304 HydrophobicContact CE2-CG2 4.44Å; F287-F361 HydrophobicContact CB-CD1 4.43Å; F287-F361 HydrophobicContact CB-CE1 3.98Å; F287-F361 HydrophobicContact CD1-CD1 4.18Å; F287-F361 AromaticContact CD1-CE1 3.93Å; F287-F361 HydrophobicContact CD1-CE1 3.93Å; F287-F361 HydrophobicContact CG-CE1 4.07Å; F287-K366 HydrophobicContact CD1-CB 4.22Å; F287-K366 HydrophobicContact CE1-CB 4.31Å; F287-K366 VanDerWaalsContact CE1-O 3.24Å; F287-K366 WeakPolarHBondContact CE1-O 3.39Å; F287-F370 HydrophobicContact CD1-CB 4.18Å; F287-F370 HydrophobicContact CD2-CB 4.33Å; F287-F370 AromaticContact CD2-CD2 3.61Å; F287-F370 HydrophobicContact CD2-CD2 3.61Å; F287-F370 HydrophobicContact CD2-CE2 4.47Å; F287-F370 HydrophobicContact CD2-CG 4.45Å; F287-F370 HydrophobicContact CE1-CB 3.9Å; F287-F370 HydrophobicContact CE2-CB 4.04Å; F287-F370 AromaticContact CE2-CD2 3.82Å; F287-F370 HydrophobicContact CE2-CD2 3.82Å; F287-F370 HydrophobicContact CE2-CG 4.44Å; F287-F370 HydrophobicContact CG-CB 4.38Å; F287-F370 HydrophobicContact CG-CD2 4.08Å; F287-F370 HydrophobicContact CZ-CB 3.83Å; F287-F370 HydrophobicContact CZ-CD2 4.47Å; F287-L373 HydrophobicContact CE2-CD1 3.68Å; F287-L373 HydrophobicContact CZ-CD1 3.64Å; F287-T424 HydrophobicContact CE1-CG2 3.8Å; F287-T424 HydrophobicContact CZ-CG2 3.76Å; F287-T424 WeakPolarHBondContact CZ-OG1 3.41Å
288	E	92.5	Very high	76.8	Confident	73 Å²	73	81.1 Å²	81.1	34%	0.341	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	132.6	165.5	-73.6	-172.3	-123.9	0	0	109.8	K299 V301 K317	E288-K299 IonicContact OE2-NZ 3.82Å; E288-V301 HydrophobicContact CG-CG2 4.36Å; E288-K317 WeakPolarHBondContact OE1-CE 3.44Å; E288-K317 IonicContact OE1-NZ 2.96Å; E288-K317 PolarHBondContact OE1-NZ 3.06Å
289	V	93.3	Very high	78.9	Confident	5 Å²	5	78.8 Å²	78.8	3%	0.03	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	164.5	179.8	-59.3	0	0	0	0	110.6	F287 M300 L302 F359 V360 F361	F287-V289 HydrophobicContact CB-CG1 4.45Å; V289-M300 HydrophobicContact CG2-CB 3.96Å; V289-M300 PolarHBondContact N-O 3.4Å; V289-M300 PolarHBondContact O-N 2.89Å; V289-M300 VanDerWaalsContact O-O 3.14Å; V289-L302 HydrophobicContact CG1-CD1 4.08Å; V289-L302 HydrophobicContact CG1-CG 4.32Å; V289-L302 HydrophobicContact CG2-CD1 4.1Å; V289-L302 HydrophobicContact CG2-CD2 4.36Å; V289-L302 HydrophobicContact CG2-CG 3.81Å; V289-F359 HydrophobicContact CB-CB 4.29Å; V289-F359 HydrophobicContact CB-CD1 4.39Å; V289-F359 HydrophobicContact CG2-CB 4.31Å; V289-F359 HydrophobicContact CG2-CD1 3.56Å; V289-F359 HydrophobicContact CG2-CE1 4.26Å; V289-F359 HydrophobicContact CG2-CG 4.21Å; V289-V360 CarbonylContact C-O 3.57Å; V289-V360 WeakPolarHBondContact CA-O 3.41Å; V289-F361 HydrophobicContact CG1-CD1 3.67Å; V289-F361 HydrophobicContact CG1-CD2 4.09Å; V289-F361 HydrophobicContact CG1-CE1 3.68Å; V289-F361 HydrophobicContact CG1-CE2 4.08Å; V289-F361 HydrophobicContact CG1-CG 3.87Å; V289-F361 HydrophobicContact CG1-CZ 3.87Å
290	K	92.3	Very high	81.2	Confident	101 Å²	101	70.5 Å²	70.5	44%	0.439	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	125	167.4	-61.3	167.6	-169.3	164.5	0	108.7	T298 F359 V360	K290-T298 CarbonylContact C-O 3.5Å; K290-T298 WeakPolarHBondContact CA-O 3.38Å; K290-F359 CarbonylContact O-C 3.53Å; K290-F359 WeakPolarHBondContact O-CA 3.48Å; K290-V360 HydrophobicContact CB-CB 4.5Å; K290-V360 PolarHBondContact N-O 3.17Å; K290-V360 PolarHBondContact O-N 3.49Å
291	Q	88.9	Confident	83.1	Confident	45 Å²	45	68.7 Å²	68.7	21%	0.21	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	125.7	166.4	-165	-171.2	-13.8	0	0	108.9	T298 M300 E358 F359	Q291-T298 PolarHBondContact N-O 2.85Å; Q291-T298 PolarHBondContact O-N 3.34Å; Q291-M300 HydrophobicContact CB-CG 4.23Å; Q291-M300 HydrophobicContact CB-SD 4.16Å; Q291-M300 PolarHBondContact OE1-SD 2.88Å; Q291-E358 WeakPolarHBondContact CG-O 3.31Å; Q291-F359 HydrophobicContact CB-CD1 3.88Å; Q291-F359 HydrophobicContact CB-CE1 3.74Å; Q291-F359 HydrophobicContact CG-CD1 4.08Å; Q291-F359 HydrophobicContact CG-CE1 3.73Å; Q291-F359 HydrophobicContact CG-CZ 4.37Å
292	E	78.8	Confident	84.5	Confident	96 Å²	96	62.2 Å²	62.2	45%	0.449	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	130.8	171.4	-66.4	-176.9	164.9	0	0	110.1
293	S	73.2	Confident	85.4	Confident	56 Å²	56	64 Å²	64	39%	0.392	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	126	172.3	54.4	0	0	0	0	110.5	G295 I296	S293-G295 PolarHBondContact O-N 3.26Å; S293-G295 VanDerWaalsContact O-N 3.1Å; S293-I296 PolarHBondContact N-O 3.17Å; S293-I296 PolarHBondContact O-N 3.3Å
294	L	67.3	Low	85.9	Confident	183 Å²	183	61.2 Å²	61.2	96%	0.958	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	32.1	179.8	-56.3	174.1	0	0	0	114.5	I296	L294-I296 VanDerWaalsContact C-N 3.32Å
295	G	64.5	Low	86.1	Confident	84 Å²	84	57.6 Å²	57.6	87%	0.866	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.1	-0.7	-176.9	0	0	0	0	0	115.1	S293	S293-G295 PolarHBondContact O-N 3.26Å; S293-G295 VanDerWaalsContact O-N 3.1Å
296	I	74.8	Confident	85.9	Confident	115 Å²	115	56.9 Å²	56.9	59%	0.59	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.9	121.5	176	-57	175.5	0	0	0	109.1	S293 L294	S293-I296 PolarHBondContact N-O 3.17Å; S293-I296 PolarHBondContact O-N 3.3Å; L294-I296 VanDerWaalsContact C-N 3.32Å
297	S	81.9	Confident	85.6	Confident	68 Å²	68	56.8 Å²	56.8	48%	0.476	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	110.7	173.5	159.7	0	0	0	0	110.2
298	T	87.7	Confident	85.3	Confident	58 Å²	58	58.8 Å²	58.8	36%	0.356	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	131.1	176.8	-53.8	0	0	0	0	110	K290 Q291	K290-T298 CarbonylContact C-O 3.5Å; K290-T298 WeakPolarHBondContact CA-O 3.38Å; Q291-T298 PolarHBondContact N-O 2.85Å; Q291-T298 PolarHBondContact O-N 3.34Å
299	K	89.7	Confident	85.1	Confident	141 Å²	141	55.3 Å²	55.3	61%	0.613	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.7	140.3	170	-75.5	-164.4	171.5	-158.5	0	110.1	E288 K315	E288-K299 IonicContact OE2-NZ 3.82Å; K299-K315 VanDerWaalsContact O-O 3.12Å
300	M	90	Very high	85.1	Confident	11 Å²	11	57.8 Å²	57.8	5%	0.054	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	163.3	168.1	-65.2	-158.5	103.1	0	0	110.9	V289 Q291 F313 K314 K315 F359	V289-M300 HydrophobicContact CG2-CB 3.96Å; V289-M300 PolarHBondContact N-O 3.4Å; V289-M300 PolarHBondContact O-N 2.89Å; V289-M300 VanDerWaalsContact O-O 3.14Å; Q291-M300 HydrophobicContact CB-CG 4.23Å; Q291-M300 HydrophobicContact CB-SD 4.16Å; Q291-M300 PolarHBondContact OE1-SD 2.88Å; M300-F313 HydrophobicContact CE-CB 4.5Å; M300-K314 CarbonylContact C-O 3.49Å; M300-K314 WeakPolarHBondContact CA-O 3.32Å; M300-K314 WeakPolarHBondContact CB-O 3.5Å; M300-K315 HydrophobicContact CE-CG 3.68Å; M300-F359 HydrophobicContact SD-CE1 3.91Å
301	V	91.3	Very high	85.1	Confident	11 Å²	11	53 Å²	53	7%	0.067	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	128.1	163.5	-173.1	0	0	0	0	107.9	F287 E288 K314 K317	F287-V301 CarbonylContact O-C 3.55Å; F287-V301 VanDerWaalsContact O-CA 3.28Å; F287-V301 WeakPolarHBondContact O-CA 3.38Å; E288-V301 HydrophobicContact CG-CG2 4.36Å; V301-K314 HydrophobicContact CB-CB 4.3Å; V301-K314 PolarHBondContact N-O 3.29Å; V301-K314 PolarHBondContact O-N 2.94Å; V301-K317 HydrophobicContact CG2-CG 4.12Å
302	L	93	Very high	85.2	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	131.1	167.2	-55	-178.5	0	0	0	108.1	S286 F287 V289 L311 F312 F313 I345 F359 F361 F370	S286-L302 CarbonylContact C-O 3.6Å; S286-L302 WeakPolarHBondContact CA-O 3.39Å; F287-L302 PolarHBondContact N-O 3.46Å; F287-L302 PolarHBondContact O-N 3.28Å; V289-L302 HydrophobicContact CG1-CD1 4.08Å; V289-L302 HydrophobicContact CG1-CG 4.32Å; V289-L302 HydrophobicContact CG2-CD1 4.1Å; V289-L302 HydrophobicContact CG2-CD2 4.36Å; V289-L302 HydrophobicContact CG2-CG 3.81Å; L302-L311 HydrophobicContact CB-CD1 4.31Å; L302-F312 WeakPolarHBondContact CA-O 3.43Å; L302-F313 HydrophobicContact CD2-CD1 3.31Å; L302-F313 HydrophobicContact CD2-CE1 3.56Å; L302-F313 HydrophobicContact CD2-CG 4.18Å; L302-I345 HydrophobicContact CD1-CD1 4.05Å; L302-F359 HydrophobicContact CD1-CD2 4.32Å; L302-F359 HydrophobicContact CD1-CG 4.27Å; L302-F359 HydrophobicContact CD2-CE1 4.08Å; L302-F359 HydrophobicContact CD2-CE2 4.49Å; L302-F359 HydrophobicContact CD2-CZ 4.07Å; L302-F361 HydrophobicContact CD1-CZ 4.14Å; L302-F370 HydrophobicContact CB-CE2 3.86Å; L302-F370 HydrophobicContact CB-CZ 4.46Å; L302-F370 HydrophobicContact CD1-CE1 4.38Å; L302-F370 HydrophobicContact CD1-CE2 3.78Å; L302-F370 HydrophobicContact CD1-CZ 3.67Å; L302-F370 HydrophobicContact CG-CE2 4.48Å
303	K	92.4	Very high	85.8	Confident	52 Å²	52	47.7 Å²	47.7	23%	0.226	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	131.9	170.9	-49.8	-177.6	171.1	177.3	0	110.8	I284 V285 L311 F312 E321	I284-K303 HydrophobicContact CG2-CB 4.17Å; V285-K303 CarbonylContact O-C 3.45Å; V285-K303 VanDerWaalsContact O-CA 3.29Å; V285-K303 WeakPolarHBondContact O-CA 3.16Å; K303-L311 WeakPolarHBondContact O-CA 3.06Å; K303-F312 HydrophobicContact CB-CB 4.07Å; K303-F312 HydrophobicContact CB-CD2 4.24Å; K303-F312 HydrophobicContact CG-CB 4.46Å; K303-F312 PolarHBondContact N-O 2.94Å; K303-F312 PolarHBondContact O-N 3.42Å; K303-E321 WeakPolarHBondContact CE-OE1 3.31Å; K303-E321 IonicContact NZ-OE1 3.14Å; K303-E321 PolarHBondContact NZ-OE1 2.66Å
304	V	92.1	Very high	86.4	Confident	0 Å²	0	46 Å²	46	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	118.7	172.1	-170.7	0	0	0	0	109.1	I284 V285 F287 V306 L311 F370 L373 L374 M377	I284-V304 WeakPolarHBondContact CA-O 3.29Å; V285-V304 PolarHBondContact N-O 2.92Å; V285-V304 PolarHBondContact O-N 3.48Å; F287-V304 HydrophobicContact CE2-CG2 4.44Å; V304-V306 HydrophobicContact CG1-CG2 3.93Å; V304-L311 HydrophobicContact CG2-CD1 4.2Å; V304-F370 HydrophobicContact CG2-CD2 3.66Å; V304-F370 HydrophobicContact CG2-CE2 3.5Å; V304-F370 HydrophobicContact CG2-CZ 4.48Å; V304-L373 HydrophobicContact CB-CB 4.39Å; V304-L373 HydrophobicContact CG1-CB 4.04Å; V304-L374 HydrophobicContact CG1-CD2 3.89Å; V304-L374 HydrophobicContact CG2-CD2 4.14Å; V304-L374 HydrophobicContact CG2-CG 4.36Å; V304-M377 HydrophobicContact CG1-SD 4.05Å
305	D	90.1	Very high	87	Confident	18 Å²	18	43.4 Å²	43.4	10%	0.096	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	95.4	169.4	178.9	-3.6	0	0	0	108.4	I284 E307 S308 G309 K310 F312	I284-D305 HydrophobicContact CD1-CB 4.22Å; I284-D305 HydrophobicContact CG1-CB 4.05Å; I284-D305 HydrophobicContact CG2-CB 4.38Å; D305-E307 PolarHBondContact O-N 3.2Å; D305-E307 PolarHBondContact OD1-N 2.95Å; D305-E307 VanDerWaalsContact OD1-N 3.08Å; D305-S308 VanDerWaalsContact CG-OG 3.28Å; D305-S308 PolarHBondContact OD1-N 2.92Å; D305-S308 WeakPolarHBondContact OD2-CB 3.41Å; D305-S308 PolarHBondContact OD2-OG 3.22Å; D305-G309 PolarHBondContact O-N 3.5Å; D305-K310 PolarHBondContact N-O 3.45Å; D305-K310 PolarHBondContact O-N 3.36Å; D305-F312 HydrophobicContact CB-CE2 4Å
306	V	86.8	Confident	87.3	Confident	2 Å²	2	42 Å²	42	1%	0.012	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-28.2	-179.9	-178.6	0	0	0	0	111.2	I282 V304 L373 M377 K380 H381	I282-V306 HydrophobicContact CB-CB 4.36Å; I282-V306 HydrophobicContact CD1-CB 4.45Å; I282-V306 HydrophobicContact CD1-CG1 3.92Å; I282-V306 HydrophobicContact CG2-CB 4.14Å; I282-V306 HydrophobicContact CG2-CG2 3.9Å; V304-V306 HydrophobicContact CG1-CG2 3.93Å; V306-L373 HydrophobicContact CG2-CB 4.33Å; V306-L373 HydrophobicContact CG2-CD2 3.85Å; V306-M377 HydrophobicContact CG1-CB 4.31Å; V306-M377 HydrophobicContact CG2-CB 4.39Å; V306-K380 HydrophobicContact CG1-CD 4.47Å; V306-H381 PolarHBondContact O-NE2 2.8Å
307	E	85.8	Confident	86.8	Confident	66 Å²	66	42.8 Å²	42.8	31%	0.308	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-46.7	-177.8	-66.8	-54.8	112.2	0	0	112	D305 K380 H381	D305-E307 PolarHBondContact O-N 3.2Å; D305-E307 PolarHBondContact OD1-N 2.95Å; D305-E307 VanDerWaalsContact OD1-N 3.08Å; E307-K380 IonicContact OE1-NZ 3.64Å; E307-K380 PolarHBondContact OE1-NZ 3.03Å; E307-K380 IonicContact OE2-NZ 3.5Å; E307-K380 PolarHBondContact OE2-NZ 2.89Å; E307-H381 PolarHBondContact O-CE1 3.03Å; E307-H381 PolarHBondContact O-NE2 2.88Å
308	S	85.3	Confident	85.9	Confident	49 Å²	49	46.7 Å²	46.7	34%	0.343	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	1.2	176.9	91.3	0	0	0	0	115.2	D305 K310	D305-S308 VanDerWaalsContact CG-OG 3.28Å; D305-S308 PolarHBondContact OD1-N 2.92Å; D305-S308 WeakPolarHBondContact OD2-CB 3.41Å; D305-S308 PolarHBondContact OD2-OG 3.22Å; S308-K310 WeakPolarHBondContact OG-CD 2.97Å; S308-K310 WeakPolarHBondContact OG-CE 3.35Å; S308-K310 PolarHBondContact OG-NZ 3.49Å
309	G	88.4	Confident	84.7	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.2	31.9	170.5	0	0	0	0	0	114.2	D305 V326 H327 H381	D305-G309 PolarHBondContact O-N 3.5Å; G309-V326 CarbonylContact O-C 3.5Å; G309-V326 WeakPolarHBondContact O-CA 3.12Å; G309-H327 PolarHBondContact O-N 3.13Å; G309-H381 WeakPolarHBondContact CA-NE2 3.46Å; G309-H381 PolarHBondContact N-NE2 3.34Å
310	K	92.2	Very high	83.6	Confident	57 Å²	57	43.8 Å²	43.8	25%	0.248	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	138.4	-168.6	-67.5	170.4	-158	152.7	0	113.9	D305 S308 F312 Y324 F325 V326 M377	D305-K310 PolarHBondContact N-O 3.45Å; D305-K310 PolarHBondContact O-N 3.36Å; S308-K310 WeakPolarHBondContact OG-CD 2.97Å; S308-K310 WeakPolarHBondContact OG-CE 3.35Å; S308-K310 PolarHBondContact OG-NZ 3.49Å; K310-F312 HydrophobicContact CB-CD2 4.18Å; K310-F312 HydrophobicContact CB-CE2 3.54Å; K310-F312 HydrophobicContact CB-CZ 3.96Å; K310-F312 HydrophobicContact CD-CE2 4.3Å; K310-F312 HydrophobicContact CD-CZ 3.87Å; K310-Y324 HydrophobicContact CD-CD2 3.97Å; K310-Y324 HydrophobicContact CD-CE2 4.14Å; K310-Y324 HydrophobicContact CD-CG 4.38Å; K310-Y324 HydrophobicContact CG-CD2 4Å; K310-Y324 HydrophobicContact CG-CE2 4.41Å; K310-F325 WeakPolarHBondContact CA-O 3.44Å; K310-V326 HydrophobicContact CG-CG1 4.03Å; K310-M377 PolarHBondContact N-SD 3.23Å; K310-M377 VanDerWaalsContact N-SD 3.36Å
311	L	93.4	Very high	82.3	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	116.8	166.1	173.9	61.5	0	0	0	109.5	L302 K303 V304 F313 Y324 F325 I330 I345 F370 L374	L302-L311 HydrophobicContact CB-CD1 4.31Å; K303-L311 WeakPolarHBondContact O-CA 3.06Å; V304-L311 HydrophobicContact CG2-CD1 4.2Å; L311-F313 HydrophobicContact CD2-CE2 3.91Å; L311-F313 HydrophobicContact CD2-CZ 3.62Å; L311-F313 HydrophobicContact CG-CE2 3.8Å; L311-F313 HydrophobicContact CG-CZ 3.93Å; L311-Y324 CarbonylContact O-C 3.54Å; L311-Y324 VanDerWaalsContact O-CA 3.27Å; L311-Y324 WeakPolarHBondContact O-CA 3.23Å; L311-F325 PolarHBondContact N-O 3.29Å; L311-F325 PolarHBondContact O-N 2.81Å; L311-I330 HydrophobicContact CB-CD1 3.6Å; L311-I330 HydrophobicContact CD2-CD1 3.9Å; L311-I330 HydrophobicContact CG-CD1 4.42Å; L311-I345 HydrophobicContact CD2-CD1 4.14Å; L311-I345 HydrophobicContact CD2-CG2 4.27Å; L311-F370 HydrophobicContact CD1-CE2 3.79Å; L311-F370 HydrophobicContact CD1-CZ 3.8Å; L311-F370 HydrophobicContact CD2-CZ 4.29Å; L311-L374 HydrophobicContact CB-CD2 4.35Å; L311-L374 HydrophobicContact CD2-CD1 4.35Å; L311-L374 HydrophobicContact CD2-CD2 4.46Å
312	F	91.6	Very high	81	Confident	30 Å²	30	49.1 Å²	49.1	13%	0.132	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	147.7	176.5	-56.1	-106.9	0	0	0	110.7	L302 K303 D305 K310 E321 Y324	L302-F312 WeakPolarHBondContact CA-O 3.43Å; K303-F312 HydrophobicContact CB-CB 4.07Å; K303-F312 HydrophobicContact CB-CD2 4.24Å; K303-F312 HydrophobicContact CG-CB 4.46Å; K303-F312 PolarHBondContact N-O 2.94Å; K303-F312 PolarHBondContact O-N 3.42Å; D305-F312 HydrophobicContact CB-CE2 4Å; K310-F312 HydrophobicContact CB-CD2 4.18Å; K310-F312 HydrophobicContact CB-CE2 3.54Å; K310-F312 HydrophobicContact CB-CZ 3.96Å; K310-F312 HydrophobicContact CD-CE2 4.3Å; K310-F312 HydrophobicContact CD-CZ 3.87Å; F312-E321 WeakPolarHBondContact CD1-OE2 3.27Å; F312-Y324 HydrophobicContact CD1-CG 4.49Å; F312-Y324 HydrophobicContact CE1-CD1 4.17Å; F312-Y324 HydrophobicContact CE1-CG 4.28Å
313	F	90.1	Very high	80.3	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	143.2	174.7	-64.5	-95.5	0	0	0	108.7	M300 L302 L311 D322 F325 I345 K357 F359	M300-F313 HydrophobicContact CE-CB 4.5Å; L302-F313 HydrophobicContact CD2-CD1 3.31Å; L302-F313 HydrophobicContact CD2-CE1 3.56Å; L302-F313 HydrophobicContact CD2-CG 4.18Å; L311-F313 HydrophobicContact CD2-CE2 3.91Å; L311-F313 HydrophobicContact CD2-CZ 3.62Å; L311-F313 HydrophobicContact CG-CE2 3.8Å; L311-F313 HydrophobicContact CG-CZ 3.93Å; F313-D322 HydrophobicContact CB-CB 4.18Å; F313-D322 WeakPolarHBondContact O-CA 3.32Å; F313-D322 WeakPolarHBondContact O-CB 3.41Å; F313-D322 PolarHBondContact O-N 3.19Å; F313-F325 AromaticContact CD2-CD2 3.85Å; F313-F325 HydrophobicContact CD2-CD2 3.85Å; F313-F325 HydrophobicContact CD2-CE2 4.09Å; F313-F325 AromaticContact CE2-CD2 3.43Å; F313-F325 HydrophobicContact CE2-CD2 3.43Å; F313-F325 VanDerWaalsContact CE2-CD2 3.43Å; F313-F325 AromaticContact CE2-CE2 3.89Å; F313-F325 HydrophobicContact CE2-CE2 3.89Å; F313-F325 HydrophobicContact CE2-CG 4.34Å; F313-F325 HydrophobicContact CZ-CD2 4.48Å; F313-I345 HydrophobicContact CE1-CD1 4.49Å; F313-K357 HydrophobicContact CD1-CD 4.22Å; F313-K357 HydrophobicContact CE1-CD 3.79Å; F313-K357 HydrophobicContact CZ-CD 4.19Å; F313-F359 HydrophobicContact CD1-CE1 4.48Å; F313-F359 HydrophobicContact CD1-CE2 4.41Å; F313-F359 AromaticContact CD1-CZ 3.73Å; F313-F359 HydrophobicContact CD1-CZ 3.73Å; F313-F359 AromaticContact CE1-CE2 3.69Å; F313-F359 HydrophobicContact CE1-CE2 3.69Å; F313-F359 AromaticContact CE1-CZ 3.47Å; F313-F359 HydrophobicContact CE1-CZ 3.47Å; F313-F359 VanDerWaalsContact CE1-CZ 3.47Å
314	K	86.9	Confident	80.1	Confident	21 Å²	21	59 Å²	59	9%	0.091	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	130	-177.1	-156.7	178.9	-179.2	175.4	0	112.6	M300 V301 S316 K317 G319 P320 E321 D322	M300-K314 CarbonylContact C-O 3.49Å; M300-K314 WeakPolarHBondContact CA-O 3.32Å; M300-K314 WeakPolarHBondContact CB-O 3.5Å; V301-K314 HydrophobicContact CB-CB 4.3Å; V301-K314 PolarHBondContact N-O 3.29Å; V301-K314 PolarHBondContact O-N 2.94Å; K314-S316 WeakPolarHBondContact CD-O 3.39Å; K314-S316 WeakPolarHBondContact CE-O 2.73Å; K314-S316 WeakPolarHBondContact CG-O 3.29Å; K314-S316 PolarHBondContact O-N 2.98Å; K314-K317 WeakPolarHBondContact CE-O 3.26Å; K314-K317 PolarHBondContact NZ-O 2.99Å; K314-G319 VanDerWaalsContact CE-C 3.46Å; K314-G319 WeakPolarHBondContact CE-O 3.26Å; K314-G319 PolarHBondContact NZ-O 2.89Å; K314-P320 WeakPolarHBondContact CG-O 3.48Å; K314-E321 HydrophobicContact CD-CG 4.22Å; K314-D322 WeakPolarHBondContact CA-OD2 3.48Å
315	K	80.2	Confident	80	Confident	128 Å²	128	60 Å²	60	56%	0.557	30%	0.302	S	S	*	.	S	Bend	trans	-72.6	-17	-179.2	-74.2	163.6	-174.7	135.8	0	116	K299 M300 D322	K299-K315 VanDerWaalsContact O-O 3.12Å; M300-K315 HydrophobicContact CE-CG 3.68Å; K315-D322 WeakPolarHBondContact CE-OD1 3.12Å; K315-D322 PolarHBondContact N-OD2 3.44Å; K315-D322 IonicContact NZ-OD1 2.75Å; K315-D322 PolarHBondContact NZ-OD1 2.88Å
316	S	70.7	Confident	79.9	Confident	56 Å²	56	61.4 Å²	61.4	39%	0.392	31%	0.312	S	S	.	.	S	Bend	trans	-159.9	164.7	177.6	62.1	0	0	0	0	110	K314 D318 G319	K314-S316 WeakPolarHBondContact CD-O 3.39Å; K314-S316 WeakPolarHBondContact CE-O 2.73Å; K314-S316 WeakPolarHBondContact CG-O 3.29Å; K314-S316 PolarHBondContact O-N 2.98Å; S316-D318 PolarHBondContact O-N 3.48Å; S316-G319 WeakPolarHBondContact OG-CA 3.43Å; S316-G319 PolarHBondContact OG-N 3.44Å
317	K	62.8	Low	79.9	Confident	130 Å²	130	63.1 Å²	63.1	57%	0.565	32%	0.319	S	S	*	.	S	Bend	trans	-57.1	-38.4	177.9	-75.4	-176	177.1	173.4	0	112.2	E288 V301 K314	E288-K317 WeakPolarHBondContact OE1-CE 3.44Å; E288-K317 IonicContact OE1-NZ 2.96Å; E288-K317 PolarHBondContact OE1-NZ 3.06Å; V301-K317 HydrophobicContact CG2-CG 4.12Å; K314-K317 WeakPolarHBondContact CE-O 3.26Å; K314-K317 PolarHBondContact NZ-O 2.99Å
318	D	63.8	Low	79.9	Confident	151 Å²	151	64.5 Å²	64.5	81%	0.807	33%	0.329	S	S	*	.	S	Bend	trans	-107.9	-1.5	-168.4	-43.9	-72.5	0	0	0	114.6	S316	S316-D318 PolarHBondContact O-N 3.48Å
319	G	63	Low	80.1	Confident	23 Å²	23	65.6 Å²	65.6	24%	0.237	33%	0.328	C	S	.	.	S	Bend	trans	-67.9	-178	178.2	0	0	0	0	0	114.5	K314 S316	K314-G319 VanDerWaalsContact CE-C 3.46Å; K314-G319 WeakPolarHBondContact CE-O 3.26Å; K314-G319 PolarHBondContact NZ-O 2.89Å; S316-G319 WeakPolarHBondContact OG-CA 3.43Å; S316-G319 PolarHBondContact OG-N 3.44Å
320	P	65.9	Low	80.1	Confident	115 Å²	115	65.6 Å²	65.6	75%	0.747	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-65	159.6	159.4	31.7	-35.2	0	0	0	110.1	K314	K314-P320 WeakPolarHBondContact CG-O 3.48Å
321	E	63.4	Low	79.8	Confident	89 Å²	89	65.4 Å²	65.4	42%	0.416	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-81.5	130.5	170.9	-55.1	-163.9	145.2	0	0	109.7	K303 F312 K314	K303-E321 WeakPolarHBondContact CE-OE1 3.31Å; K303-E321 IonicContact NZ-OE1 3.14Å; K303-E321 PolarHBondContact NZ-OE1 2.66Å; F312-E321 WeakPolarHBondContact CD1-OE2 3.27Å; K314-E321 HydrophobicContact CD-CG 4.22Å
322	D	62.5	Low	79.5	Confident	45 Å²	45	67.4 Å²	67.4	24%	0.241	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	162.4	167.8	-59.4	-84	0	0	0	108.9	F313 K314 K315 Y324	F313-D322 HydrophobicContact CB-CB 4.18Å; F313-D322 WeakPolarHBondContact O-CA 3.32Å; F313-D322 WeakPolarHBondContact O-CB 3.41Å; F313-D322 PolarHBondContact O-N 3.19Å; K314-D322 WeakPolarHBondContact CA-OD2 3.48Å; K315-D322 WeakPolarHBondContact CE-OD1 3.12Å; K315-D322 PolarHBondContact N-OD2 3.44Å; K315-D322 IonicContact NZ-OD1 2.75Å; K315-D322 PolarHBondContact NZ-OD1 2.88Å; D322-Y324 PolarHBondContact O-N 3.21Å
323	K	78	Confident	79.5	Confident	128 Å²	128	66 Å²	66	56%	0.557	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-46.6	127.7	-176.1	-71	-160.8	171.5	-146	0	113.2	E350	K323-E350 IonicContact NZ-OE1 2.82Å; K323-E350 PolarHBondContact NZ-OE1 3.43Å; K323-E350 IonicContact NZ-OE2 2.59Å; K323-E350 PolarHBondContact NZ-OE2 2.9Å
324	Y	89	Confident	79.3	Confident	131 Å²	131	66.3 Å²	66.3	51%	0.514	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	160	170.4	67.5	-98	0	0	0	111.7	K310 L311 F312 D322 V326	K310-Y324 HydrophobicContact CD-CD2 3.97Å; K310-Y324 HydrophobicContact CD-CE2 4.14Å; K310-Y324 HydrophobicContact CD-CG 4.38Å; K310-Y324 HydrophobicContact CG-CD2 4Å; K310-Y324 HydrophobicContact CG-CE2 4.41Å; L311-Y324 CarbonylContact O-C 3.54Å; L311-Y324 VanDerWaalsContact O-CA 3.27Å; L311-Y324 WeakPolarHBondContact O-CA 3.23Å; F312-Y324 HydrophobicContact CD1-CG 4.49Å; F312-Y324 HydrophobicContact CE1-CD1 4.17Å; F312-Y324 HydrophobicContact CE1-CG 4.28Å; D322-Y324 PolarHBondContact O-N 3.21Å; Y324-V326 HydrophobicContact CD2-CG1 4.42Å; Y324-V326 HydrophobicContact CE2-CG1 4.15Å
325	F	89.4	Confident	79.4	Confident	20 Å²	20	66.3 Å²	66.3	9%	0.088	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	130.8	172	-68.7	-104.6	0	0	0	108.5	K310 L311 F313 K329 I330 V347 E348 T349	K310-F325 WeakPolarHBondContact CA-O 3.44Å; L311-F325 PolarHBondContact N-O 3.29Å; L311-F325 PolarHBondContact O-N 2.81Å; F313-F325 AromaticContact CD2-CD2 3.85Å; F313-F325 HydrophobicContact CD2-CD2 3.85Å; F313-F325 HydrophobicContact CD2-CE2 4.09Å; F313-F325 AromaticContact CE2-CD2 3.43Å; F313-F325 HydrophobicContact CE2-CD2 3.43Å; F313-F325 VanDerWaalsContact CE2-CD2 3.43Å; F313-F325 AromaticContact CE2-CE2 3.89Å; F313-F325 HydrophobicContact CE2-CE2 3.89Å; F313-F325 HydrophobicContact CE2-CG 4.34Å; F313-F325 HydrophobicContact CZ-CD2 4.48Å; F325-K329 HydrophobicContact CD1-CB 4.41Å; F325-I330 HydrophobicContact CB-CG1 4.21Å; F325-V347 HydrophobicContact CD1-CB 3.59Å; F325-V347 HydrophobicContact CD1-CG1 4.15Å; F325-V347 HydrophobicContact CD1-CG2 3.88Å; F325-V347 HydrophobicContact CE1-CB 3.65Å; F325-V347 HydrophobicContact CE1-CG2 3.42Å; F325-V347 VanDerWaalsContact CE1-CG2 3.42Å; F325-V347 HydrophobicContact CE2-CG2 4.36Å; F325-V347 HydrophobicContact CG-CB 4.23Å; F325-V347 HydrophobicContact CG-CG1 4.3Å; F325-V347 HydrophobicContact CZ-CB 4.35Å; F325-V347 HydrophobicContact CZ-CG2 3.69Å; F325-E348 WeakPolarHBondContact CD1-O 3.36Å; F325-E348 VanDerWaalsContact CE1-O 3.29Å; F325-E348 WeakPolarHBondContact CE1-O 3.45Å; F325-T349 HydrophobicContact CE1-CG2 4.22Å; F325-T349 HydrophobicContact CZ-CG2 4.38Å
326	V	89.3	Confident	79.6	Confident	48 Å²	48	60.5 Å²	60.5	29%	0.291	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	152.4	173.4	-76.8	0	0	0	0	110.9	G309 K310 Y324 N328 K329 I330	G309-V326 CarbonylContact O-C 3.5Å; G309-V326 WeakPolarHBondContact O-CA 3.12Å; K310-V326 HydrophobicContact CG-CG1 4.03Å; Y324-V326 HydrophobicContact CD2-CG1 4.42Å; Y324-V326 HydrophobicContact CE2-CG1 4.15Å; V326-N328 VanDerWaalsContact C-N 3.27Å; V326-N328 VanDerWaalsContact CG2-OD1 3.27Å; V326-N328 WeakPolarHBondContact CG2-OD1 3.39Å; V326-N328 PolarHBondContact O-N 2.84Å; V326-K329 HydrophobicContact CG2-CB 4.3Å; V326-K329 HydrophobicContact CG2-CG 3.9Å; V326-K329 WeakPolarHBondContact O-CA 3.43Å; V326-K329 PolarHBondContact O-N 3.01Å; V326-I330 PolarHBondContact O-N 2.97Å
327	H	86.1	Confident	80	Confident	38 Å²	38	62.4 Å²	62.4	18%	0.176	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-39.3	-44.7	-177.5	67.9	104.5	0	0	0	115.6	G309 I330 M377 K378 H381	G309-H327 PolarHBondContact O-N 3.13Å; H327-I330 PolarHBondContact O-N 2.92Å; H327-M377 HydrophobicContact CB-CE 4.09Å; H327-M377 HydrophobicContact CB-CG 4.49Å; H327-K378 HydrophobicContact CB-CG 4.31Å; H327-H381 HydrophobicContact CB-CB 4.19Å; H327-H381 PolarHBondContact CE1-O 2.88Å; H327-H381 WeakPolarHBondContact ND1-CB 3.31Å; H327-H381 PolarHBondContact ND1-O 2.84Å
328	N	85.4	Confident	81	Confident	96 Å²	96	63.4 Å²	63.4	51%	0.513	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-75.4	-20.9	-179.1	63.9	2.5	0	0	0	113.9	V326 I330	V326-N328 VanDerWaalsContact C-N 3.27Å; V326-N328 VanDerWaalsContact CG2-OD1 3.27Å; V326-N328 WeakPolarHBondContact CG2-OD1 3.39Å; V326-N328 PolarHBondContact O-N 2.84Å; N328-I330 VanDerWaalsContact C-N 3.34Å
329	K	89.4	Confident	82	Confident	72 Å²	72	60 Å²	60	31%	0.313	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-87.5	-1.1	171.5	-62.5	-58	-177.2	-170.8	0	113.1	F325 V326 V347 E348	F325-K329 HydrophobicContact CD1-CB 4.41Å; V326-K329 HydrophobicContact CG2-CB 4.3Å; V326-K329 HydrophobicContact CG2-CG 3.9Å; V326-K329 WeakPolarHBondContact O-CA 3.43Å; V326-K329 PolarHBondContact O-N 3.01Å; K329-V347 CarbonylContact O-C 3.53Å; K329-V347 VanDerWaalsContact O-CA 3.26Å; K329-V347 WeakPolarHBondContact O-CA 3.23Å; K329-E348 HydrophobicContact CD-CB 4.1Å; K329-E348 HydrophobicContact CD-CG 4.43Å; K329-E348 VanDerWaalsContact CD-OE2 3.23Å; K329-E348 WeakPolarHBondContact CD-OE2 3.21Å; K329-E348 WeakPolarHBondContact CE-OE2 3.32Å; K329-E348 IonicContact NZ-OE2 3.94Å; K329-E348 PolarHBondContact NZ-OE2 2.99Å; K329-E348 PolarHBondContact O-N 3.37Å
330	I	89.5	Confident	83	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	97	169	-47	173.6	0	0	0	107.4	L311 F325 V326 H327 N328 L333 I345 V347 L374 M377 K378 F850	L311-I330 HydrophobicContact CB-CD1 3.6Å; L311-I330 HydrophobicContact CD2-CD1 3.9Å; L311-I330 HydrophobicContact CG-CD1 4.42Å; F325-I330 HydrophobicContact CB-CG1 4.21Å; V326-I330 PolarHBondContact O-N 2.97Å; H327-I330 PolarHBondContact O-N 2.92Å; N328-I330 VanDerWaalsContact C-N 3.34Å; I330-L333 HydrophobicContact CG2-CD2 4.5Å; I330-I345 HydrophobicContact CG2-CG2 3.98Å; I330-V347 HydrophobicContact CG2-CG1 4.37Å; I330-L374 HydrophobicContact CD1-CD2 4.05Å; I330-M377 HydrophobicContact CD1-CE 3.5Å; I330-K378 PolarHBondContact O-NZ 2.88Å; I330-F850 HydrophobicContact CB-CE2 4.46Å; I330-F850 HydrophobicContact CB-CZ 4.42Å; I330-F850 HydrophobicContact CG2-CE2 3.9Å; I330-F850 HydrophobicContact CG2-CZ 3.74Å; I330-F850 VanDerWaalsContact O-CE2 3.3Å; I330-F850 WeakPolarHBondContact O-CE2 3.24Å
331	L	85.6	Confident	84.1	Confident	52 Å²	52	60 Å²	60	27%	0.272	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	-46.8	-170.7	-58.1	-174.8	0	0	0	111.8	V346 E348 I354 F850	L331-V346 HydrophobicContact CB-CG1 4.31Å; L331-V346 HydrophobicContact CD1-CG1 4.45Å; L331-V346 PolarHBondContact N-O 2.66Å; L331-E348 HydrophobicContact CD1-CB 4.15Å; L331-E348 HydrophobicContact CD2-CB 4.3Å; L331-E348 HydrophobicContact CG-CB 4.23Å; L331-I354 HydrophobicContact CD1-CD1 4.17Å; L331-I354 HydrophobicContact CD1-CG1 3.98Å; L331-I354 HydrophobicContact CD1-CG2 4.35Å; L331-F850 VanDerWaalsContact O-CD2 3.3Å; L331-F850 WeakPolarHBondContact O-CD2 3.47Å
332	Q	87.6	Confident	85.4	Confident	42 Å²	42	57.1 Å²	57.1	20%	0.196	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	148.6	-171.4	-167.2	168.6	93.6	0	0	112.5	V334 V346 K852	Q332-V334 HydrophobicContact CG-CG2 4.22Å; Q332-V346 HydrophobicContact CB-CB 3.98Å; Q332-V346 HydrophobicContact CB-CG2 4.03Å; Q332-V346 PolarHBondContact N-O 3.24Å; Q332-V346 PolarHBondContact O-N 2.87Å; Q332-K852 HydrophobicContact CG-CG 4.27Å
333	L	90	Very high	86.8	Confident	0 Å²	0	55 Å²	55	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	134.8	164.5	-55	-178.2	0	0	0	108.7	I330 L343 I344 I345 L374 F850 I851 K852	I330-L333 HydrophobicContact CG2-CD2 4.5Å; L333-L343 HydrophobicContact CB-CD1 4.28Å; L333-L343 HydrophobicContact CD2-CD2 4.36Å; L333-I344 CarbonylContact C-O 3.4Å; L333-I344 WeakPolarHBondContact CA-O 3.32Å; L333-I345 HydrophobicContact CD2-CB 4.27Å; L333-I345 HydrophobicContact CD2-CG1 4.02Å; L333-I345 HydrophobicContact CD2-CG2 3.86Å; L333-L374 HydrophobicContact CD1-CB 4.21Å; L333-L374 HydrophobicContact CD1-CD1 3.88Å; L333-L374 HydrophobicContact CD2-CD1 3.86Å; L333-L374 HydrophobicContact CG-CD1 4.46Å; L333-F850 HydrophobicContact CD1-CD1 4.38Å; L333-F850 HydrophobicContact CD1-CE1 3.66Å; L333-F850 HydrophobicContact CD1-CZ 3.96Å; L333-F850 HydrophobicContact CD2-CZ 4.08Å; L333-F850 HydrophobicContact CG-CD1 4.4Å; L333-F850 HydrophobicContact CG-CE1 3.74Å; L333-F850 HydrophobicContact CG-CE2 4.13Å; L333-F850 HydrophobicContact CG-CZ 3.58Å; L333-F850 PolarHBondContact N-O 2.82Å; L333-I851 HydrophobicContact CB-CG1 4.37Å; L333-I851 HydrophobicContact CD1-CD1 4.47Å; L333-I851 HydrophobicContact CD1-CG1 4.26Å; L333-I851 WeakPolarHBondContact O-CA 3.44Å; L333-K852 PolarHBondContact O-N 3.48Å
334	V	87.8	Confident	87.5	Confident	8 Å²	8	49.1 Å²	49.1	5%	0.048	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	113.7	175.1	-164.9	0	0	0	0	109.8	Q332 L343 I344 V346 K852 E854	Q332-V334 HydrophobicContact CG-CG2 4.22Å; V334-L343 CarbonylContact O-C 3.52Å; V334-L343 WeakPolarHBondContact O-CA 3.34Å; V334-I344 HydrophobicContact CB-CB 4.11Å; V334-I344 HydrophobicContact CB-CG1 4.48Å; V334-I344 PolarHBondContact N-O 2.87Å; V334-I344 PolarHBondContact O-N 2.86Å; V334-V346 HydrophobicContact CG2-CG2 4.45Å; V334-K852 CarbonylContact C-O 3.59Å; V334-K852 WeakPolarHBondContact CA-O 3.29Å; V334-E854 HydrophobicContact CG1-CB 3.96Å
335	K	87.6	Confident	87.6	Confident	20 Å²	20	42.9 Å²	42.9	9%	0.087	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	129.1	176.2	-67.4	174.5	173.3	-177.4	0	109.4	L343 E368 I851 K852 I853 E854	K335-L343 HydrophobicContact CB-CD1 4.48Å; K335-L343 HydrophobicContact CG-CD1 3.7Å; K335-E368 WeakPolarHBondContact CE-OE1 3.24Å; K335-E368 WeakPolarHBondContact CE-OE2 3.39Å; K335-E368 IonicContact NZ-OE1 2.61Å; K335-E368 PolarHBondContact NZ-OE1 3.43Å; K335-E368 IonicContact NZ-OE2 3.89Å; K335-E368 PolarHBondContact NZ-OE2 2.91Å; K335-I851 HydrophobicContact CD-CG2 3.75Å; K335-I851 VanDerWaalsContact CE-CG2 3.47Å; K335-I851 HydrophobicContact CG-CG2 4.19Å; K335-K852 PolarHBondContact N-O 3.38Å; K335-I853 HydrophobicContact CB-CG1 4.49Å; K335-I853 WeakPolarHBondContact O-CA 3.49Å; K335-E854 WeakPolarHBondContact O-CB 3.47Å; K335-E854 PolarHBondContact O-N 3.02Å
336	S	84.8	Confident	87.7	Confident	7 Å²	7	42.3 Å²	42.3	5%	0.049	21%	0.207	C	C	.	.			trans	-80	138	177.3	-167.3	0	0	0	0	112	K342 E854	S336-K342 PolarHBondContact N-O 3.16Å; S336-E854 WeakPolarHBondContact CA-OE2 3.2Å; S336-E854 WeakPolarHBondContact CB-OE2 3.26Å; S336-E854 PolarHBondContact OG-OE2 3.44Å
337	Q	78.4	Confident	87.7	Confident	95 Å²	95	40 Å²	40	44%	0.444	19%	0.193	S	C	.	.	S	Bend	trans	-74.8	-38.7	172.2	-74.1	-177.5	-11.3	0	0	112.2	H340 I853 E854	Q337-H340 PolarHBondContact O-CE1 2.85Å; Q337-H340 PolarHBondContact O-ND1 3.27Å; Q337-I853 HydrophobicContact CG-CG2 3.39Å; Q337-E854 VanDerWaalsContact CG-O 3.23Å; Q337-E854 WeakPolarHBondContact CG-O 3.34Å; Q337-E854 PolarHBondContact OE1-O 3.49Å
338	K	84	Confident	87.9	Confident	151 Å²	151	40.2 Å²	40.2	66%	0.657	19%	0.194	S	C	*	.	S	Bend	trans	-75.6	-29.1	-177.9	-78	171.1	169.7	149	0	113.8	D856	K338-D856 WeakPolarHBondContact CE-OD1 3.4Å; K338-D856 WeakPolarHBondContact CE-OD2 3.31Å; K338-D856 IonicContact NZ-OD1 2.66Å; K338-D856 PolarHBondContact NZ-OD1 3.16Å; K338-D856 IonicContact NZ-OD2 2.61Å; K338-D856 PolarHBondContact NZ-OD2 2.88Å
339	M	85.3	Confident	87.9	Confident	80 Å²	80	37.1 Å²	37.1	39%	0.394	18%	0.179	S	C	.	.			trans	-129.2	89.7	-179	-68.8	172.5	69.1	0	0	108.6	A341 K342 V360	M339-A341 PolarHBondContact O-N 2.89Å; M339-K342 HydrophobicContact CB-CB 3.61Å; M339-K342 HydrophobicContact CB-CD 4.37Å; M339-K342 HydrophobicContact CE-CB 4.4Å; M339-K342 HydrophobicContact CE-CD 4.15Å; M339-K342 WeakPolarHBondContact O-CA 3.37Å; M339-K342 VanDerWaalsContact O-CB 3.29Å; M339-K342 WeakPolarHBondContact O-CB 3.38Å; M339-K342 PolarHBondContact O-N 3.11Å; M339-K342 HydrophobicContact SD-CD 3.86Å; M339-V360 HydrophobicContact CE-CG2 3.94Å
340	H	84.4	Confident	87.3	Confident	120 Å²	120	40.8 Å²	40.8	56%	0.556	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-24.7	-172.3	-57.5	-43.4	0	0	0	114.7	Q337 T364 R367	Q337-H340 PolarHBondContact O-CE1 2.85Å; Q337-H340 PolarHBondContact O-ND1 3.27Å; H340-T364 HydrophobicContact CB-CG2 3.93Å; H340-R367 WeakPolarHBondContact O-CD 3.35Å; H340-R367 PolarHBondContact O-NE 3.43Å; H340-R367 VanDerWaalsContact O-NE 3.09Å; H340-R367 PolarHBondContact O-NH1 2.79Å
341	A	87.7	Confident	86.9	Confident	19 Å²	19	49.1 Å²	49.1	16%	0.157	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-2.2	173.3	0	0	0	0	0	114.4	M339 F361	M339-A341 PolarHBondContact O-N 2.89Å; A341-F361 PolarHBondContact O-N 3Å
342	K	91.8	Very high	86.7	Confident	27 Å²	27	54.2 Å²	54.2	12%	0.117	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	137.9	178.3	-174.7	174.3	178.5	171.9	0	111.4	S336 M339 E358 F359 V360	S336-K342 PolarHBondContact N-O 3.16Å; M339-K342 HydrophobicContact CB-CB 3.61Å; M339-K342 HydrophobicContact CB-CD 4.37Å; M339-K342 HydrophobicContact CE-CB 4.4Å; M339-K342 HydrophobicContact CE-CD 4.15Å; M339-K342 WeakPolarHBondContact O-CA 3.37Å; M339-K342 VanDerWaalsContact O-CB 3.29Å; M339-K342 WeakPolarHBondContact O-CB 3.38Å; M339-K342 PolarHBondContact O-N 3.11Å; M339-K342 HydrophobicContact SD-CD 3.86Å; K342-E358 WeakPolarHBondContact CE-OE2 3.43Å; K342-E358 IonicContact NZ-OE2 2.8Å; K342-E358 PolarHBondContact NZ-OE2 3.28Å; K342-F359 CarbonylContact C-O 3.54Å; K342-F359 WeakPolarHBondContact CA-O 3.39Å; K342-V360 HydrophobicContact CB-CG2 4.34Å; K342-V360 HydrophobicContact CG-CG2 4.26Å
343	L	91.7	Very high	86.6	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	133.1	177.2	-164.8	73.4	0	0	0	110	L333 V334 K335 I345 F359 F361 R367 F370	L333-L343 HydrophobicContact CB-CD1 4.28Å; L333-L343 HydrophobicContact CD2-CD2 4.36Å; V334-L343 CarbonylContact O-C 3.52Å; V334-L343 WeakPolarHBondContact O-CA 3.34Å; K335-L343 HydrophobicContact CB-CD1 4.48Å; K335-L343 HydrophobicContact CG-CD1 3.7Å; L343-I345 HydrophobicContact CD2-CG1 4.32Å; L343-F359 PolarHBondContact N-O 3.33Å; L343-F359 PolarHBondContact O-N 3.32Å; L343-F361 HydrophobicContact CB-CD2 4.44Å; L343-F361 HydrophobicContact CB-CE2 3.9Å; L343-F361 HydrophobicContact CD2-CE2 4.03Å; L343-F361 HydrophobicContact CD2-CZ 4.36Å; L343-R367 HydrophobicContact CB-CG 4.12Å; L343-R367 HydrophobicContact CD1-CG 4.4Å; L343-F370 HydrophobicContact CD2-CD1 3.62Å; L343-F370 HydrophobicContact CD2-CE1 3.67Å
344	I	92.3	Very high	86.5	Confident	5 Å²	5	64.1 Å²	64.1	3%	0.026	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	123.4	168.6	-44.8	-175.1	0	0	0	107.9	L333 V334 R356 K357 E358	L333-I344 CarbonylContact C-O 3.4Å; L333-I344 WeakPolarHBondContact CA-O 3.32Å; V334-I344 HydrophobicContact CB-CB 4.11Å; V334-I344 HydrophobicContact CB-CG1 4.48Å; V334-I344 PolarHBondContact N-O 2.87Å; V334-I344 PolarHBondContact O-N 2.86Å; I344-R356 HydrophobicContact CG2-CB 4.05Å; I344-K357 CarbonylContact C-O 3.58Å; I344-K357 WeakPolarHBondContact CA-O 3.44Å; I344-E358 HydrophobicContact CD1-CG 4.3Å; I344-E358 HydrophobicContact CG1-CG 4.07Å; I344-E358 HydrophobicContact CG2-CG 4.15Å
345	I	92.4	Very high	86.5	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	118.7	173.1	-47.8	-178.9	0	0	0	107.6	L302 L311 F313 I330 L333 L343 V347 K357 F359 F370	L302-I345 HydrophobicContact CD1-CD1 4.05Å; L311-I345 HydrophobicContact CD2-CD1 4.14Å; L311-I345 HydrophobicContact CD2-CG2 4.27Å; F313-I345 HydrophobicContact CE1-CD1 4.49Å; I330-I345 HydrophobicContact CG2-CG2 3.98Å; L333-I345 HydrophobicContact CD2-CB 4.27Å; L333-I345 HydrophobicContact CD2-CG1 4.02Å; L333-I345 HydrophobicContact CD2-CG2 3.86Å; L343-I345 HydrophobicContact CD2-CG1 4.32Å; I345-V347 HydrophobicContact CG2-CG1 3.69Å; I345-K357 PolarHBondContact N-O 3.37Å; I345-K357 PolarHBondContact O-N 2.92Å; I345-F359 HydrophobicContact CB-CE2 4.44Å; I345-F359 HydrophobicContact CD1-CD2 3.77Å; I345-F359 HydrophobicContact CD1-CE2 3.81Å; I345-F359 HydrophobicContact CG1-CD2 3.93Å; I345-F359 HydrophobicContact CG1-CE2 4.12Å; I345-F370 HydrophobicContact CD1-CE1 3.69Å; I345-F370 HydrophobicContact CD1-CZ 3.65Å; I345-F370 HydrophobicContact CG1-CE1 4.47Å
346	V	90	Very high	86.6	Confident	8 Å²	8	73.2 Å²	73.2	5%	0.048	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	119.7	174.5	-169.7	0	0	0	0	108.1	L331 Q332 V334 I354 L355 R356	L331-V346 HydrophobicContact CB-CG1 4.31Å; L331-V346 HydrophobicContact CD1-CG1 4.45Å; L331-V346 PolarHBondContact N-O 2.66Å; Q332-V346 HydrophobicContact CB-CB 3.98Å; Q332-V346 HydrophobicContact CB-CG2 4.03Å; Q332-V346 PolarHBondContact N-O 3.24Å; Q332-V346 PolarHBondContact O-N 2.87Å; V334-V346 HydrophobicContact CG2-CG2 4.45Å; V346-I354 HydrophobicContact CG1-CG2 3.59Å; V346-L355 WeakPolarHBondContact CA-O 3.31Å; V346-R356 HydrophobicContact CG1-CG 4.44Å; V346-R356 HydrophobicContact CG2-CG 4.32Å
347	V	90.6	Very high	86.8	Confident	0 Å²	0	74.6 Å²	74.6	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	147.9	-176.1	-60.7	0	0	0	0	111.4	F325 K329 I330 I345 I354 L355	F325-V347 HydrophobicContact CD1-CB 3.59Å; F325-V347 HydrophobicContact CD1-CG1 4.15Å; F325-V347 HydrophobicContact CD1-CG2 3.88Å; F325-V347 HydrophobicContact CE1-CB 3.65Å; F325-V347 HydrophobicContact CE1-CG2 3.42Å; F325-V347 VanDerWaalsContact CE1-CG2 3.42Å; F325-V347 HydrophobicContact CE2-CG2 4.36Å; F325-V347 HydrophobicContact CG-CB 4.23Å; F325-V347 HydrophobicContact CG-CG1 4.3Å; F325-V347 HydrophobicContact CZ-CB 4.35Å; F325-V347 HydrophobicContact CZ-CG2 3.69Å; K329-V347 CarbonylContact O-C 3.53Å; K329-V347 VanDerWaalsContact O-CA 3.26Å; K329-V347 WeakPolarHBondContact O-CA 3.23Å; I330-V347 HydrophobicContact CG2-CG1 4.37Å; I345-V347 HydrophobicContact CG2-CG1 3.69Å; V347-I354 CarbonylContact O-C 3.59Å; V347-I354 WeakPolarHBondContact O-CA 3.28Å; V347-L355 HydrophobicContact CG2-CB 4.04Å; V347-L355 PolarHBondContact N-O 3.43Å; V347-L355 PolarHBondContact O-N 3.33Å
348	E	89.3	Confident	87.5	Confident	42 Å²	42	73.6 Å²	73.6	20%	0.196	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	137.4	172.5	-169.4	-175.3	-100.9	0	0	110.5	F325 K329 L331	F325-E348 WeakPolarHBondContact CD1-O 3.36Å; F325-E348 VanDerWaalsContact CE1-O 3.29Å; F325-E348 WeakPolarHBondContact CE1-O 3.45Å; K329-E348 HydrophobicContact CD-CB 4.1Å; K329-E348 HydrophobicContact CD-CG 4.43Å; K329-E348 VanDerWaalsContact CD-OE2 3.23Å; K329-E348 WeakPolarHBondContact CD-OE2 3.21Å; K329-E348 WeakPolarHBondContact CE-OE2 3.32Å; K329-E348 IonicContact NZ-OE2 3.94Å; K329-E348 PolarHBondContact NZ-OE2 2.99Å; K329-E348 PolarHBondContact O-N 3.37Å; L331-E348 HydrophobicContact CD1-CB 4.15Å; L331-E348 HydrophobicContact CD2-CB 4.3Å; L331-E348 HydrophobicContact CG-CB 4.23Å
349	T	85.2	Confident	87.9	Confident	31 Å²	31	66.4 Å²	66.4	19%	0.19	31%	0.309	C	S	.	.			trans	-90.7	166.7	177.9	56.5	0	0	0	0	112.4	F325 K351 E352 K353 L355	F325-T349 HydrophobicContact CE1-CG2 4.22Å; F325-T349 HydrophobicContact CZ-CG2 4.38Å; T349-K351 PolarHBondContact O-N 2.98Å; T349-E352 PolarHBondContact O-N 3.19Å; T349-K353 PolarHBondContact N-O 2.9Å; T349-K353 WeakPolarHBondContact OG1-CB 3.34Å; T349-K353 PolarHBondContact OG1-N 3.22Å; T349-K353 PolarHBondContact OG1-O 2.57Å; T349-L355 HydrophobicContact CG2-CD1 3.51Å; T349-L355 HydrophobicContact CG2-CG 3.92Å
350	E	78.1	Confident	88.3	Confident	149 Å²	149	63.8 Å²	63.8	70%	0.696	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-8.8	174	-50.2	136	139.8	0	0	113.8	K323	K323-E350 IonicContact NZ-OE1 2.82Å; K323-E350 PolarHBondContact NZ-OE1 3.43Å; K323-E350 IonicContact NZ-OE2 2.59Å; K323-E350 PolarHBondContact NZ-OE2 2.9Å
351	K	81.3	Confident	88.7	Confident	175 Å²	175	58.3 Å²	58.3	76%	0.761	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.8	25.1	176.3	-59.2	-167.8	176.4	-168.3	0	112.2	T349 K353	T349-K351 PolarHBondContact O-N 2.98Å; K351-K353 WeakPolarHBondContact O-CG 3.48Å; K351-K353 PolarHBondContact O-N 2.92Å
352	E	79.4	Confident	88.8	Confident	159 Å²	159	62 Å²	62	74%	0.743	29%	0.29	S	S	*	.	S	Bend	trans	57.2	13.2	177.2	-59.8	178.3	167.1	0	0	114.8	T349 I354	T349-E352 PolarHBondContact O-N 3.19Å; E352-I354 PolarHBondContact O-N 2.88Å
353	K	86.8	Confident	88.6	Confident	146 Å²	146	63.2 Å²	63.2	64%	0.635	30%	0.297	S	S	*	.			trans	-82.2	118.9	173.2	-57.1	-163.4	177.2	-167.2	0	109.4	T349 K351	T349-K353 PolarHBondContact N-O 2.9Å; T349-K353 WeakPolarHBondContact OG1-CB 3.34Å; T349-K353 PolarHBondContact OG1-N 3.22Å; T349-K353 PolarHBondContact OG1-O 2.57Å; K351-K353 WeakPolarHBondContact O-CG 3.48Å; K351-K353 PolarHBondContact O-N 2.92Å
354	I	88.3	Confident	88.3	Confident	104 Å²	104	66.2 Å²	66.2	53%	0.533	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	127.8	168.6	-60	172.6	0	0	0	108.8	L331 V346 V347 E352	L331-I354 HydrophobicContact CD1-CD1 4.17Å; L331-I354 HydrophobicContact CD1-CG1 3.98Å; L331-I354 HydrophobicContact CD1-CG2 4.35Å; V346-I354 HydrophobicContact CG1-CG2 3.59Å; V347-I354 CarbonylContact O-C 3.59Å; V347-I354 WeakPolarHBondContact O-CA 3.28Å; E352-I354 PolarHBondContact O-N 2.88Å
355	L	87.7	Confident	87.8	Confident	75 Å²	75	70.5 Å²	70.5	39%	0.393	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	139.2	173.1	-61.6	179.5	0	0	0	109.6	V346 V347 T349	V346-L355 WeakPolarHBondContact CA-O 3.31Å; V347-L355 HydrophobicContact CG2-CB 4.04Å; V347-L355 PolarHBondContact N-O 3.43Å; V347-L355 PolarHBondContact O-N 3.33Å; T349-L355 HydrophobicContact CG2-CD1 3.51Å; T349-L355 HydrophobicContact CG2-CG 3.92Å
356	R	90.1	Very high	87.5	Confident	144 Å²	144	73.5 Å²	73.5	54%	0.543	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	123	167.5	-56.7	179.3	75.5	89.9	-5	107.2	I344 V346	I344-R356 HydrophobicContact CG2-CB 4.05Å; V346-R356 HydrophobicContact CG1-CG 4.44Å; V346-R356 HydrophobicContact CG2-CG 4.32Å
357	K	89.1	Confident	87.6	Confident	36 Å²	36	73.9 Å²	73.9	16%	0.157	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	125.8	176.4	-65.5	-173.1	-177.2	179	0	109.6	F313 I344 I345 F359	F313-K357 HydrophobicContact CD1-CD 4.22Å; F313-K357 HydrophobicContact CE1-CD 3.79Å; F313-K357 HydrophobicContact CZ-CD 4.19Å; I344-K357 CarbonylContact C-O 3.58Å; I344-K357 WeakPolarHBondContact CA-O 3.44Å; I345-K357 PolarHBondContact N-O 3.37Å; I345-K357 PolarHBondContact O-N 2.92Å; K357-F359 HydrophobicContact CB-CD2 4.35Å; K357-F359 HydrophobicContact CB-CE2 3.42Å; K357-F359 VanDerWaalsContact CB-CE2 3.42Å; K357-F359 HydrophobicContact CB-CZ 3.77Å; K357-F359 HydrophobicContact CD-CE2 4.15Å; K357-F359 HydrophobicContact CD-CZ 3.89Å; K357-F359 HydrophobicContact CG-CE2 4.47Å; K357-F359 HydrophobicContact CG-CZ 4.49Å
358	E	92.2	Very high	87.3	Confident	74 Å²	74	75.9 Å²	75.9	35%	0.346	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	128.8	-177.3	-55.3	-171.5	-163.7	0	0	110.9	Q291 K342 I344	Q291-E358 WeakPolarHBondContact CG-O 3.31Å; K342-E358 WeakPolarHBondContact CE-OE2 3.43Å; K342-E358 IonicContact NZ-OE2 2.8Å; K342-E358 PolarHBondContact NZ-OE2 3.28Å; I344-E358 HydrophobicContact CD1-CG 4.3Å; I344-E358 HydrophobicContact CG1-CG 4.07Å; I344-E358 HydrophobicContact CG2-CG 4.15Å
359	F	93	Very high	87.1	Confident	0 Å²	0	73.9 Å²	73.9	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	142.4	-179.9	-60.2	-77.3	0	0	0	111.3	V289 K290 Q291 M300 L302 F313 K342 L343 I345 K357 F361	V289-F359 HydrophobicContact CB-CB 4.29Å; V289-F359 HydrophobicContact CB-CD1 4.39Å; V289-F359 HydrophobicContact CG2-CB 4.31Å; V289-F359 HydrophobicContact CG2-CD1 3.56Å; V289-F359 HydrophobicContact CG2-CE1 4.26Å; V289-F359 HydrophobicContact CG2-CG 4.21Å; K290-F359 CarbonylContact O-C 3.53Å; K290-F359 WeakPolarHBondContact O-CA 3.48Å; Q291-F359 HydrophobicContact CB-CD1 3.88Å; Q291-F359 HydrophobicContact CB-CE1 3.74Å; Q291-F359 HydrophobicContact CG-CD1 4.08Å; Q291-F359 HydrophobicContact CG-CE1 3.73Å; Q291-F359 HydrophobicContact CG-CZ 4.37Å; M300-F359 HydrophobicContact SD-CE1 3.91Å; L302-F359 HydrophobicContact CD1-CD2 4.32Å; L302-F359 HydrophobicContact CD1-CG 4.27Å; L302-F359 HydrophobicContact CD2-CE1 4.08Å; L302-F359 HydrophobicContact CD2-CE2 4.49Å; L302-F359 HydrophobicContact CD2-CZ 4.07Å; F313-F359 HydrophobicContact CD1-CE1 4.48Å; F313-F359 HydrophobicContact CD1-CE2 4.41Å; F313-F359 AromaticContact CD1-CZ 3.73Å; F313-F359 HydrophobicContact CD1-CZ 3.73Å; F313-F359 AromaticContact CE1-CE2 3.69Å; F313-F359 HydrophobicContact CE1-CE2 3.69Å; F313-F359 AromaticContact CE1-CZ 3.47Å; F313-F359 HydrophobicContact CE1-CZ 3.47Å; F313-F359 VanDerWaalsContact CE1-CZ 3.47Å; K342-F359 CarbonylContact C-O 3.54Å; K342-F359 WeakPolarHBondContact CA-O 3.39Å; L343-F359 PolarHBondContact N-O 3.33Å; L343-F359 PolarHBondContact O-N 3.32Å; I345-F359 HydrophobicContact CB-CE2 4.44Å; I345-F359 HydrophobicContact CD1-CD2 3.77Å; I345-F359 HydrophobicContact CD1-CE2 3.81Å; I345-F359 HydrophobicContact CG1-CD2 3.93Å; I345-F359 HydrophobicContact CG1-CE2 4.12Å; K357-F359 HydrophobicContact CB-CD2 4.35Å; K357-F359 HydrophobicContact CB-CE2 3.42Å; K357-F359 VanDerWaalsContact CB-CE2 3.42Å; K357-F359 HydrophobicContact CB-CZ 3.77Å; K357-F359 HydrophobicContact CD-CE2 4.15Å; K357-F359 HydrophobicContact CD-CZ 3.89Å; K357-F359 HydrophobicContact CG-CE2 4.47Å; K357-F359 HydrophobicContact CG-CZ 4.49Å; F359-F361 HydrophobicContact CB-CE2 4.39Å
360	V	93	Very high	87.3	Confident	25 Å²	25	72.4 Å²	72.4	15%	0.152	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	117.9	170.1	-174.5	0	0	0	0	107.8	V289 K290 M339 K342	V289-V360 CarbonylContact C-O 3.57Å; V289-V360 WeakPolarHBondContact CA-O 3.41Å; K290-V360 HydrophobicContact CB-CB 4.5Å; K290-V360 PolarHBondContact N-O 3.17Å; K290-V360 PolarHBondContact O-N 3.49Å; M339-V360 HydrophobicContact CE-CG2 3.94Å; K342-V360 HydrophobicContact CB-CG2 4.34Å; K342-V360 HydrophobicContact CG-CG2 4.26Å
361	F	93.3	Very high	87.8	Confident	5 Å²	5	65.4 Å²	65.4	2%	0.022	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	164.8	173.3	-69.2	-107.1	0	0	0	109.7	F287 V289 L302 A341 L343 F359 D363 K366 R367 F370	F287-F361 HydrophobicContact CB-CD1 4.43Å; F287-F361 HydrophobicContact CB-CE1 3.98Å; F287-F361 HydrophobicContact CD1-CD1 4.18Å; F287-F361 AromaticContact CD1-CE1 3.93Å; F287-F361 HydrophobicContact CD1-CE1 3.93Å; F287-F361 HydrophobicContact CG-CE1 4.07Å; V289-F361 HydrophobicContact CG1-CD1 3.67Å; V289-F361 HydrophobicContact CG1-CD2 4.09Å; V289-F361 HydrophobicContact CG1-CE1 3.68Å; V289-F361 HydrophobicContact CG1-CE2 4.08Å; V289-F361 HydrophobicContact CG1-CG 3.87Å; V289-F361 HydrophobicContact CG1-CZ 3.87Å; L302-F361 HydrophobicContact CD1-CZ 4.14Å; A341-F361 PolarHBondContact O-N 3Å; L343-F361 HydrophobicContact CB-CD2 4.44Å; L343-F361 HydrophobicContact CB-CE2 3.9Å; L343-F361 HydrophobicContact CD2-CE2 4.03Å; L343-F361 HydrophobicContact CD2-CZ 4.36Å; F359-F361 HydrophobicContact CB-CE2 4.39Å; F361-D363 PolarHBondContact O-N 2.68Å; F361-K366 HydrophobicContact CD1-CB 4.28Å; F361-R367 HydrophobicContact CB-CB 3.98Å; F361-R367 HydrophobicContact CD1-CB 4.22Å; F361-R367 HydrophobicContact CD2-CB 3.75Å; F361-R367 HydrophobicContact CD2-CG 3.75Å; F361-R367 HydrophobicContact CE2-CB 4.33Å; F361-R367 HydrophobicContact CE2-CG 4.03Å; F361-R367 HydrophobicContact CG-CB 3.71Å; F361-R367 HydrophobicContact CG-CG 4.26Å; F361-F370 HydrophobicContact CE1-CB 3.6Å; F361-F370 HydrophobicContact CE1-CD1 4.18Å; F361-F370 HydrophobicContact CE1-CD2 4.12Å; F361-F370 AromaticContact CE1-CG 3.71Å; F361-F370 HydrophobicContact CE1-CG 3.71Å; F361-F370 HydrophobicContact CE2-CD1 4.39Å; F361-F370 HydrophobicContact CZ-CB 3.83Å; F361-F370 AromaticContact CZ-CD1 3.51Å; F361-F370 HydrophobicContact CZ-CD1 3.51Å; F361-F370 HydrophobicContact CZ-CD2 4.07Å; F361-F370 HydrophobicContact CZ-CE1 4.01Å; F361-F370 AromaticContact CZ-CG 3.52Å; F361-F370 HydrophobicContact CZ-CG 3.52Å; F361-F370 HydrophobicContact CZ-CZ 4.49Å
362	D	89.9	Confident	88	Confident	98 Å²	98	58.1 Å²	58.1	52%	0.524	27%	0.274	S	S	.	.	S	Bend	trans	-58.3	-35.9	174.7	-58.5	-37	0	0	0	112.2	K366	D362-K366 HydrophobicContact CB-CD 4.31Å; D362-K366 IonicContact OD2-NZ 2.64Å; D362-K366 PolarHBondContact OD2-NZ 2.67Å
363	D	87.1	Confident	88.4	Confident	52 Å²	52	50.6 Å²	50.6	28%	0.278	24%	0.239	S	C	.	.	S	Bend	trans	-155.8	167.7	-173.1	64.6	76.7	0	0	0	112.3	F361 K365 K366 R367	F361-D363 PolarHBondContact O-N 2.68Å; D363-K365 VanDerWaalsContact C-N 3.34Å; D363-K365 PolarHBondContact O-N 2.91Å; D363-K365 WeakPolarHBondContact OD1-CA 3.5Å; D363-K365 WeakPolarHBondContact OD1-CB 3.37Å; D363-K365 PolarHBondContact OD1-N 3.22Å; D363-K366 PolarHBondContact OD1-N 2.62Å; D363-K366 VanDerWaalsContact OD2-CD 3.31Å; D363-K366 WeakPolarHBondContact OD2-CD 3.31Å; D363-K366 VanDerWaalsContact OD2-CE 3.28Å; D363-K366 WeakPolarHBondContact OD2-CE 3.34Å; D363-K366 WeakPolarHBondContact OD2-CG 3.47Å; D363-K366 IonicContact OD2-NZ 2.73Å; D363-K366 PolarHBondContact OD2-NZ 3.49Å; D363-R367 PolarHBondContact O-N 2.97Å
364	T	84.8	Confident	88.5	Confident	62 Å²	62	43.6 Å²	43.6	38%	0.38	21%	0.209	S	C	.	.	H	α-helix	trans	-68.8	-27.9	-177.4	-51.1	0	0	0	0	113.4	H340 R367 E368	H340-T364 HydrophobicContact CB-CG2 3.93Å; T364-R367 VanDerWaalsContact CG2-NH2 3.34Å; T364-E368 PolarHBondContact O-N 2.78Å; T364-E368 VanDerWaalsContact O-N 3.16Å
365	K	82.8	Confident	88.3	Confident	95 Å²	95	38.8 Å²	38.8	41%	0.413	18%	0.184	S	C	.	.	H	α-helix	trans	-74.3	-49.1	-177.4	-64.6	-169.8	-179.8	-174.1	0	110.5	D363 R367 E368 G369 T420 D422	D363-K365 VanDerWaalsContact C-N 3.34Å; D363-K365 PolarHBondContact O-N 2.91Å; D363-K365 WeakPolarHBondContact OD1-CA 3.5Å; D363-K365 WeakPolarHBondContact OD1-CB 3.37Å; D363-K365 PolarHBondContact OD1-N 3.22Å; K365-R367 VanDerWaalsContact C-N 3.25Å; K365-R367 PolarHBondContact O-N 2.98Å; K365-E368 CarbonylContact O-C 3.41Å; K365-E368 WeakPolarHBondContact O-CA 3.36Å; K365-E368 PolarHBondContact O-N 2.91Å; K365-G369 PolarHBondContact O-N 2.88Å; K365-T420 PolarHBondContact NZ-OG1 2.72Å; K365-D422 VanDerWaalsContact C-OD2 3.23Å; K365-D422 HydrophobicContact CB-CB 4.23Å
366	K	86.6	Confident	88	Confident	64 Å²	64	36.6 Å²	36.6	28%	0.278	17%	0.172	S	C	.	.	H	α-helix	trans	-56.9	-39.7	174.3	-72.1	-177.5	-168.8	124.8	0	112.3	F287 F361 D362 D363 G369 F370 D422	F287-K366 HydrophobicContact CD1-CB 4.22Å; F287-K366 HydrophobicContact CE1-CB 4.31Å; F287-K366 VanDerWaalsContact CE1-O 3.24Å; F287-K366 WeakPolarHBondContact CE1-O 3.39Å; F361-K366 HydrophobicContact CD1-CB 4.28Å; D362-K366 HydrophobicContact CB-CD 4.31Å; D362-K366 IonicContact OD2-NZ 2.64Å; D362-K366 PolarHBondContact OD2-NZ 2.67Å; D363-K366 PolarHBondContact OD1-N 2.62Å; D363-K366 VanDerWaalsContact OD2-CD 3.31Å; D363-K366 WeakPolarHBondContact OD2-CD 3.31Å; D363-K366 VanDerWaalsContact OD2-CE 3.28Å; D363-K366 WeakPolarHBondContact OD2-CE 3.34Å; D363-K366 WeakPolarHBondContact OD2-CG 3.47Å; D363-K366 IonicContact OD2-NZ 2.73Å; D363-K366 PolarHBondContact OD2-NZ 3.49Å; K366-G369 PolarHBondContact O-N 2.7Å; K366-F370 WeakPolarHBondContact O-CB 3.29Å; K366-F370 PolarHBondContact O-N 3.39Å; K366-D422 WeakPolarHBondContact CA-OD2 3.45Å; K366-D422 PolarHBondContact N-OD2 2.91Å; K366-D422 VanDerWaalsContact N-OD2 3.11Å
367	R	90.7	Very high	87.8	Confident	16 Å²	16	29.8 Å²	29.8	6%	0.06	15%	0.146	C	C	.	.	H	α-helix	trans	-64.1	-37.6	175.2	-177.6	-133.9	48.5	165	-5.9	112	H340 L343 F361 D363 T364 K365 C371	H340-R367 WeakPolarHBondContact O-CD 3.35Å; H340-R367 PolarHBondContact O-NE 3.43Å; H340-R367 VanDerWaalsContact O-NE 3.09Å; H340-R367 PolarHBondContact O-NH1 2.79Å; L343-R367 HydrophobicContact CB-CG 4.12Å; L343-R367 HydrophobicContact CD1-CG 4.4Å; F361-R367 HydrophobicContact CB-CB 3.98Å; F361-R367 HydrophobicContact CD1-CB 4.22Å; F361-R367 HydrophobicContact CD2-CB 3.75Å; F361-R367 HydrophobicContact CD2-CG 3.75Å; F361-R367 HydrophobicContact CE2-CB 4.33Å; F361-R367 HydrophobicContact CE2-CG 4.03Å; F361-R367 HydrophobicContact CG-CB 3.71Å; F361-R367 HydrophobicContact CG-CG 4.26Å; D363-R367 PolarHBondContact O-N 2.97Å; T364-R367 VanDerWaalsContact CG2-NH2 3.34Å; K365-R367 VanDerWaalsContact C-N 3.25Å; K365-R367 PolarHBondContact O-N 2.98Å; R367-C371 PolarHBondContact O-N 3.39Å; R367-C371 PolarHBondContact O-SG 3.36Å; R367-C371 VanDerWaalsContact O-SG 3.33Å
368	E	84.8	Confident	87.6	Confident	42 Å²	42	29.5 Å²	29.5	20%	0.196	15%	0.145	C	C	.	.	H	α-helix	trans	-70.2	-40.5	170.9	-71.4	-60.5	170.2	0	0	112.8	K335 T364 K365 F370 C371 Q372	K335-E368 WeakPolarHBondContact CE-OE1 3.24Å; K335-E368 WeakPolarHBondContact CE-OE2 3.39Å; K335-E368 IonicContact NZ-OE1 2.61Å; K335-E368 PolarHBondContact NZ-OE1 3.43Å; K335-E368 IonicContact NZ-OE2 3.89Å; K335-E368 PolarHBondContact NZ-OE2 2.91Å; T364-E368 PolarHBondContact O-N 2.78Å; T364-E368 VanDerWaalsContact O-N 3.16Å; K365-E368 CarbonylContact O-C 3.41Å; K365-E368 WeakPolarHBondContact O-CA 3.36Å; K365-E368 PolarHBondContact O-N 2.91Å; E368-F370 VanDerWaalsContact C-N 3.32Å; E368-F370 PolarHBondContact O-N 3.49Å; E368-C371 CarbonylContact O-C 3.56Å; E368-C371 WeakPolarHBondContact O-CB 3.33Å; E368-C371 PolarHBondContact O-N 3.41Å; E368-C371 VanDerWaalsContact O-N 3.11Å; E368-Q372 WeakPolarHBondContact O-CG 3.3Å; E368-Q372 PolarHBondContact O-N 2.95Å
369	G	85.6	Confident	86.9	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-56.9	-45.2	174.5	0	0	0	0	0	112.2	K365 K366 Q372 L373	K365-G369 PolarHBondContact O-N 2.88Å; K366-G369 PolarHBondContact O-N 2.7Å; G369-Q372 PolarHBondContact O-N 3.48Å; G369-L373 WeakPolarHBondContact O-CG 3.26Å; G369-L373 PolarHBondContact O-N 2.79Å
370	F	89.9	Confident	86.3	Confident	0 Å²	0	32 Å²	32	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-60.4	-43.9	172.2	179.8	-96.3	0	0	0	112.8	F287 L302 V304 L311 L343 I345 F361 K366 E368 L373 L374	F287-F370 HydrophobicContact CD1-CB 4.18Å; F287-F370 HydrophobicContact CD2-CB 4.33Å; F287-F370 AromaticContact CD2-CD2 3.61Å; F287-F370 HydrophobicContact CD2-CD2 3.61Å; F287-F370 HydrophobicContact CD2-CE2 4.47Å; F287-F370 HydrophobicContact CD2-CG 4.45Å; F287-F370 HydrophobicContact CE1-CB 3.9Å; F287-F370 HydrophobicContact CE2-CB 4.04Å; F287-F370 AromaticContact CE2-CD2 3.82Å; F287-F370 HydrophobicContact CE2-CD2 3.82Å; F287-F370 HydrophobicContact CE2-CG 4.44Å; F287-F370 HydrophobicContact CG-CB 4.38Å; F287-F370 HydrophobicContact CG-CD2 4.08Å; F287-F370 HydrophobicContact CZ-CB 3.83Å; F287-F370 HydrophobicContact CZ-CD2 4.47Å; L302-F370 HydrophobicContact CB-CE2 3.86Å; L302-F370 HydrophobicContact CB-CZ 4.46Å; L302-F370 HydrophobicContact CD1-CE1 4.38Å; L302-F370 HydrophobicContact CD1-CE2 3.78Å; L302-F370 HydrophobicContact CD1-CZ 3.67Å; L302-F370 HydrophobicContact CG-CE2 4.48Å; V304-F370 HydrophobicContact CG2-CD2 3.66Å; V304-F370 HydrophobicContact CG2-CE2 3.5Å; V304-F370 HydrophobicContact CG2-CZ 4.48Å; L311-F370 HydrophobicContact CD1-CE2 3.79Å; L311-F370 HydrophobicContact CD1-CZ 3.8Å; L311-F370 HydrophobicContact CD2-CZ 4.29Å; L343-F370 HydrophobicContact CD2-CD1 3.62Å; L343-F370 HydrophobicContact CD2-CE1 3.67Å; I345-F370 HydrophobicContact CD1-CE1 3.69Å; I345-F370 HydrophobicContact CD1-CZ 3.65Å; I345-F370 HydrophobicContact CG1-CE1 4.47Å; F361-F370 HydrophobicContact CE1-CB 3.6Å; F361-F370 HydrophobicContact CE1-CD1 4.18Å; F361-F370 HydrophobicContact CE1-CD2 4.12Å; F361-F370 AromaticContact CE1-CG 3.71Å; F361-F370 HydrophobicContact CE1-CG 3.71Å; F361-F370 HydrophobicContact CE2-CD1 4.39Å; F361-F370 HydrophobicContact CZ-CB 3.83Å; F361-F370 AromaticContact CZ-CD1 3.51Å; F361-F370 HydrophobicContact CZ-CD1 3.51Å; F361-F370 HydrophobicContact CZ-CD2 4.07Å; F361-F370 HydrophobicContact CZ-CE1 4.01Å; F361-F370 AromaticContact CZ-CG 3.52Å; F361-F370 HydrophobicContact CZ-CG 3.52Å; F361-F370 HydrophobicContact CZ-CZ 4.49Å; K366-F370 WeakPolarHBondContact O-CB 3.29Å; K366-F370 PolarHBondContact O-N 3.39Å; E368-F370 VanDerWaalsContact C-N 3.32Å; E368-F370 PolarHBondContact O-N 3.49Å; F370-L373 PolarHBondContact O-N 3.01Å; F370-L374 HydrophobicContact CD1-CD1 4.05Å; F370-L374 HydrophobicContact CE1-CD1 3.34Å; F370-L374 HydrophobicContact CE1-CG 4.21Å; F370-L374 HydrophobicContact CE2-CD1 4.31Å; F370-L374 HydrophobicContact CZ-CD1 3.5Å; F370-L374 HydrophobicContact CZ-CG 4.2Å; F370-L374 PolarHBondContact O-N 2.82Å
371	C	87.5	Confident	85.8	Confident	1 Å²	1	33 Å²	33	1%	0.007	16%	0.159	C	C	.	.	H	α-helix	trans	-60.6	-47.1	173.9	-76.8	0	0	0	0	111.7	R367 E368 L373 L374 Q375 I851	R367-C371 PolarHBondContact O-N 3.39Å; R367-C371 PolarHBondContact O-SG 3.36Å; R367-C371 VanDerWaalsContact O-SG 3.33Å; E368-C371 CarbonylContact O-C 3.56Å; E368-C371 WeakPolarHBondContact O-CB 3.33Å; E368-C371 PolarHBondContact O-N 3.41Å; E368-C371 VanDerWaalsContact O-N 3.11Å; C371-L373 PolarHBondContact O-N 3.43Å; C371-L374 PolarHBondContact O-N 2.89Å; C371-Q375 VanDerWaalsContact O-CB 3.31Å; C371-Q375 WeakPolarHBondContact O-CB 3.24Å; C371-Q375 PolarHBondContact O-N 2.93Å; C371-I851 HydrophobicContact CB-CD1 4.04Å
372	Q	85.6	Confident	84.9	Confident	22 Å²	22	34.9 Å²	34.9	10%	0.103	17%	0.173	C	C	.	.	H	α-helix	trans	-61.6	-41.3	178.6	-71.2	-177.6	20.7	0	0	111.8	E368 G369 Q375 Q376 R421 I428	E368-Q372 WeakPolarHBondContact O-CG 3.3Å; E368-Q372 PolarHBondContact O-N 2.95Å; G369-Q372 PolarHBondContact O-N 3.48Å; Q372-Q375 PolarHBondContact O-N 3.36Å; Q372-Q376 WeakPolarHBondContact O-CB 3.45Å; Q372-Q376 VanDerWaalsContact O-CG 3.32Å; Q372-Q376 WeakPolarHBondContact O-CG 3.32Å; Q372-Q376 PolarHBondContact O-N 3.23Å; Q372-R421 VanDerWaalsContact OE1-NE 3.11Å; Q372-I428 HydrophobicContact CB-CD1 4.21Å
373	L	87.9	Confident	83.9	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-64.1	-43.7	175.6	-73.5	160	0	0	0	112.4	I282 V285 F287 V304 V306 G369 F370 C371 Q376 M377 I428	I282-L373 HydrophobicContact CG2-CD2 3.68Å; V285-L373 HydrophobicContact CB-CD1 3.81Å; V285-L373 HydrophobicContact CG1-CD1 4.08Å; V285-L373 HydrophobicContact CG2-CD1 3.7Å; V285-L373 HydrophobicContact CG2-CD2 4.17Å; F287-L373 HydrophobicContact CE2-CD1 3.68Å; F287-L373 HydrophobicContact CZ-CD1 3.64Å; V304-L373 HydrophobicContact CB-CB 4.39Å; V304-L373 HydrophobicContact CG1-CB 4.04Å; V306-L373 HydrophobicContact CG2-CB 4.33Å; V306-L373 HydrophobicContact CG2-CD2 3.85Å; G369-L373 WeakPolarHBondContact O-CG 3.26Å; G369-L373 PolarHBondContact O-N 2.79Å; F370-L373 PolarHBondContact O-N 3.01Å; C371-L373 PolarHBondContact O-N 3.43Å; L373-Q376 PolarHBondContact O-N 2.92Å; L373-M377 WeakPolarHBondContact O-CB 3.27Å; L373-M377 PolarHBondContact O-N 2.94Å; L373-I428 HydrophobicContact CD2-CD1 3.88Å; L373-I428 HydrophobicContact CD2-CG1 4.4Å; L373-I428 HydrophobicContact CG-CD1 4.1Å
374	L	87.7	Confident	83.1	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-68.2	-34.6	174.9	-73.1	-176	0	0	0	112.8	V304 L311 I330 L333 F370 C371 M377 K378 F850	V304-L374 HydrophobicContact CG1-CD2 3.89Å; V304-L374 HydrophobicContact CG2-CD2 4.14Å; V304-L374 HydrophobicContact CG2-CG 4.36Å; L311-L374 HydrophobicContact CB-CD2 4.35Å; L311-L374 HydrophobicContact CD2-CD1 4.35Å; L311-L374 HydrophobicContact CD2-CD2 4.46Å; I330-L374 HydrophobicContact CD1-CD2 4.05Å; L333-L374 HydrophobicContact CD1-CB 4.21Å; L333-L374 HydrophobicContact CD1-CD1 3.88Å; L333-L374 HydrophobicContact CD2-CD1 3.86Å; L333-L374 HydrophobicContact CG-CD1 4.46Å; F370-L374 HydrophobicContact CD1-CD1 4.05Å; F370-L374 HydrophobicContact CE1-CD1 3.34Å; F370-L374 HydrophobicContact CE1-CG 4.21Å; F370-L374 HydrophobicContact CE2-CD1 4.31Å; F370-L374 HydrophobicContact CZ-CD1 3.5Å; F370-L374 HydrophobicContact CZ-CG 4.2Å; F370-L374 PolarHBondContact O-N 2.82Å; C371-L374 PolarHBondContact O-N 2.89Å; L374-M377 HydrophobicContact CD2-CE 3.5Å; L374-M377 VanDerWaalsContact CD2-CE 3.5Å; L374-M377 HydrophobicContact CD2-SD 4.26Å; L374-M377 PolarHBondContact O-N 3.37Å; L374-K378 PolarHBondContact O-N 3Å; L374-F850 HydrophobicContact CB-CE1 4.24Å
375	Q	84.3	Confident	82.3	Confident	3 Å²	3	43.1 Å²	43.1	1%	0.014	21%	0.211	C	C	.	.	H	α-helix	trans	-62.3	-46.5	174.1	-162.4	70.7	7.6	0	0	110.3	C371 Q372 K378 N379 M389 L847	C371-Q375 VanDerWaalsContact O-CB 3.31Å; C371-Q375 WeakPolarHBondContact O-CB 3.24Å; C371-Q375 PolarHBondContact O-N 2.93Å; Q372-Q375 PolarHBondContact O-N 3.36Å; Q375-K378 PolarHBondContact O-N 2.81Å; Q375-N379 WeakPolarHBondContact O-CB 3.32Å; Q375-N379 PolarHBondContact O-N 3.39Å; Q375-M389 HydrophobicContact CG-CE 3.58Å; Q375-M389 HydrophobicContact CG-SD 4.47Å; Q375-M389 PolarHBondContact NE2-SD 2.87Å; Q375-L847 PolarHBondContact NE2-O 3.35Å
376	Q	82.3	Confident	82.1	Confident	29 Å²	29	40.6 Å²	40.6	14%	0.136	20%	0.201	C	C	.	.	H	α-helix	trans	-67	-37.5	176.1	-69.2	-62.7	-13.7	0	0	112.8	Q372 L373 N379 K380 I428	Q372-Q376 WeakPolarHBondContact O-CB 3.45Å; Q372-Q376 VanDerWaalsContact O-CG 3.32Å; Q372-Q376 WeakPolarHBondContact O-CG 3.32Å; Q372-Q376 PolarHBondContact O-N 3.23Å; L373-Q376 PolarHBondContact O-N 2.92Å; Q376-N379 WeakPolarHBondContact O-CB 3.46Å; Q376-N379 PolarHBondContact O-N 2.85Å; Q376-K380 VanDerWaalsContact O-CB 3.29Å; Q376-K380 WeakPolarHBondContact O-CB 3.18Å; Q376-K380 PolarHBondContact O-N 3.27Å; Q376-I428 HydrophobicContact CG-CD1 4.05Å; Q376-I428 HydrophobicContact CG-CG1 4.32Å; Q376-I428 HydrophobicContact CG-CG2 3.6Å
377	M	86.6	Confident	82	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-61.9	-45.9	172.8	-170.2	179.5	80.9	0	0	111.6	V304 V306 K310 H327 I330 L373 L374 K380 H381	V304-M377 HydrophobicContact CG1-SD 4.05Å; V306-M377 HydrophobicContact CG1-CB 4.31Å; V306-M377 HydrophobicContact CG2-CB 4.39Å; K310-M377 PolarHBondContact N-SD 3.23Å; K310-M377 VanDerWaalsContact N-SD 3.36Å; H327-M377 HydrophobicContact CB-CE 4.09Å; H327-M377 HydrophobicContact CB-CG 4.49Å; I330-M377 HydrophobicContact CD1-CE 3.5Å; L373-M377 WeakPolarHBondContact O-CB 3.27Å; L373-M377 PolarHBondContact O-N 2.94Å; L374-M377 HydrophobicContact CD2-CE 3.5Å; L374-M377 VanDerWaalsContact CD2-CE 3.5Å; L374-M377 HydrophobicContact CD2-SD 4.26Å; L374-M377 PolarHBondContact O-N 3.37Å; M377-K380 PolarHBondContact O-N 3.18Å; M377-H381 PolarHBondContact O-CD2 3Å; M377-H381 VanDerWaalsContact O-CD2 3.24Å; M377-H381 PolarHBondContact O-N 3.26Å
378	K	83.3	Confident	81.8	Confident	30 Å²	30	38.1 Å²	38.1	13%	0.13	19%	0.193	C	C	.	.	H	α-helix	trans	-69.8	-34.6	176	-71.5	-169.1	72.4	170	0	112.6	H327 I330 L374 Q375 S382 L847 F850	H327-K378 HydrophobicContact CB-CG 4.31Å; I330-K378 PolarHBondContact O-NZ 2.88Å; L374-K378 PolarHBondContact O-N 3Å; Q375-K378 PolarHBondContact O-N 2.81Å; K378-S382 WeakPolarHBondContact O-CA 3.19Å; K378-S382 WeakPolarHBondContact O-CB 3.16Å; K378-S382 PolarHBondContact O-N 3.35Å; K378-L847 HydrophobicContact CB-CD1 3.74Å; K378-F850 HydrophobicContact CD-CD1 3.81Å; K378-F850 HydrophobicContact CD-CD2 3.77Å; K378-F850 HydrophobicContact CD-CE1 3.54Å; K378-F850 HydrophobicContact CD-CE2 3.5Å; K378-F850 VanDerWaalsContact CD-CE2 3.5Å; K378-F850 HydrophobicContact CD-CG 3.93Å; K378-F850 HydrophobicContact CD-CZ 3.36Å; K378-F850 HydrophobicContact CG-CE1 4.34Å; K378-F850 HydrophobicContact CG-CZ 4.39Å
379	N	79.2	Confident	82	Confident	33 Å²	33	36.2 Å²	36.2	18%	0.176	18%	0.184	C	C	.	.	H	α-helix	trans	-54.2	-60.3	169	-100.7	-26.6	0	0	0	110.6	Q375 Q376 H381 S382 L847	Q375-N379 WeakPolarHBondContact O-CB 3.32Å; Q375-N379 PolarHBondContact O-N 3.39Å; Q376-N379 WeakPolarHBondContact O-CB 3.46Å; Q376-N379 PolarHBondContact O-N 2.85Å; N379-H381 VanDerWaalsContact C-N 3.34Å; N379-H381 PolarHBondContact O-N 2.83Å; N379-S382 WeakPolarHBondContact O-CB 3.44Å; N379-S382 PolarHBondContact O-N 3.48Å; N379-S382 PolarHBondContact O-OG 2.89Å; N379-L847 HydrophobicContact CB-CD2 4.17Å; N379-L847 VanDerWaalsContact CG-CD2 3.5Å; N379-L847 WeakPolarHBondContact OD1-CD2 3.32Å
380	K	80.2	Confident	82.3	Confident	94 Å²	94	36.3 Å²	36.3	41%	0.409	18%	0.184	S	C	.	.	H	α-helix	trans	-59.6	-39.7	-174.1	176.8	166.1	176	151.7	0	113.5	V306 E307 Q376 M377	V306-K380 HydrophobicContact CG1-CD 4.47Å; E307-K380 IonicContact OE1-NZ 3.64Å; E307-K380 PolarHBondContact OE1-NZ 3.03Å; E307-K380 IonicContact OE2-NZ 3.5Å; E307-K380 PolarHBondContact OE2-NZ 2.89Å; Q376-K380 VanDerWaalsContact O-CB 3.29Å; Q376-K380 WeakPolarHBondContact O-CB 3.18Å; Q376-K380 PolarHBondContact O-N 3.27Å; M377-K380 PolarHBondContact O-N 3.18Å
381	H	81.6	Confident	82.5	Confident	45 Å²	45	36.9 Å²	36.9	21%	0.208	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	18.5	-179.1	-60.7	-82.9	0	0	0	112.8	V306 E307 G309 H327 M377 N379 E383	V306-H381 PolarHBondContact O-NE2 2.8Å; E307-H381 PolarHBondContact O-CE1 3.03Å; E307-H381 PolarHBondContact O-NE2 2.88Å; G309-H381 WeakPolarHBondContact CA-NE2 3.46Å; G309-H381 PolarHBondContact N-NE2 3.34Å; H327-H381 HydrophobicContact CB-CB 4.19Å; H327-H381 PolarHBondContact CE1-O 2.88Å; H327-H381 WeakPolarHBondContact ND1-CB 3.31Å; H327-H381 PolarHBondContact ND1-O 2.84Å; M377-H381 PolarHBondContact O-CD2 3Å; M377-H381 VanDerWaalsContact O-CD2 3.24Å; M377-H381 PolarHBondContact O-N 3.26Å; N379-H381 VanDerWaalsContact C-N 3.34Å; N379-H381 PolarHBondContact O-N 2.83Å; H381-E383 VanDerWaalsContact C-N 3.31Å; H381-E383 PolarHBondContact O-N 2.88Å
382	S	73.6	Confident	83.1	Confident	46 Å²	46	36.9 Å²	36.9	32%	0.322	19%	0.188	S	C	.	.	S	Bend	trans	-75.1	-18.5	180	59.6	0	0	0	0	114.3	K378 N379 K384	K378-S382 WeakPolarHBondContact O-CA 3.19Å; K378-S382 WeakPolarHBondContact O-CB 3.16Å; K378-S382 PolarHBondContact O-N 3.35Å; N379-S382 WeakPolarHBondContact O-CB 3.44Å; N379-S382 PolarHBondContact O-N 3.48Å; N379-S382 PolarHBondContact O-OG 2.89Å; S382-K384 PolarHBondContact O-N 2.85Å; S382-K384 PolarHBondContact OG-N 3.12Å
383	E	70.9	Confident	83.7	Confident	189 Å²	189	35.9 Å²	35.9	88%	0.883	18%	0.183	S	C	*	.			trans	55.5	6.3	-167.8	-58.3	-176.7	171.4	0	0	114.6	H381	H381-E383 VanDerWaalsContact C-N 3.31Å; H381-E383 PolarHBondContact O-N 2.88Å
384	K	68.3	Low	84.2	Confident	81 Å²	81	35.8 Å²	35.8	35%	0.352	18%	0.183	S	C	.	.			trans	-70.1	133.9	177.2	-72.3	-177.7	169.7	179.3	0	110.2	S382 E386 D388 E845	S382-K384 PolarHBondContact O-N 2.85Å; S382-K384 PolarHBondContact OG-N 3.12Å; K384-E386 PolarHBondContact O-N 2.95Å; K384-D388 WeakPolarHBondContact CD-OD2 3.33Å; K384-D388 IonicContact NZ-OD2 3.3Å; K384-D388 PolarHBondContact NZ-OD2 2.67Å; K384-E845 PolarHBondContact NZ-O 2.75Å; K384-E845 VanDerWaalsContact NZ-O 3.11Å
385	P	68.3	Low	84.7	Confident	115 Å²	115	35.8 Å²	35.8	75%	0.747	18%	0.183	S	C	*	.	S	Bend	trans	-70.1	-23.9	-179.9	28.8	-35.4	0	0	0	112.8	R487	P385-R487 PolarHBondContact O-NH2 2.86Å
386	E	78.3	Confident	85.4	Confident	41 Å²	41	35.7 Å²	35.7	19%	0.192	18%	0.182	C	C	.	.	S	Bend	trans	-128.5	145.3	178.2	-55.2	-150	113.8	0	0	110.5	K384 N517 S700 Q701	K384-E386 PolarHBondContact O-N 2.95Å; E386-N517 PolarHBondContact OE1-ND2 3.3Å; E386-N517 PolarHBondContact OE2-ND2 2.69Å; E386-S700 WeakPolarHBondContact OE2-CA 3.49Å; E386-S700 WeakPolarHBondContact OE2-CB 3.26Å; E386-S700 PolarHBondContact OE2-OG 2.76Å; E386-Q701 PolarHBondContact OE2-N 2.98Å
387	P	86.1	Confident	86.2	Confident	18 Å²	18	34.3 Å²	34.3	12%	0.117	18%	0.176	C	C	.	.			trans	-71.7	138.6	171.3	30.9	-33.6	0	0	0	110.3	I390 F516 V698	P387-I390 HydrophobicContact CB-CG2 4.23Å; P387-I390 HydrophobicContact CG-CG2 4.04Å; P387-F516 HydrophobicContact CG-CE1 4.02Å; P387-F516 HydrophobicContact CG-CZ 4.21Å; P387-V698 HydrophobicContact CG-CG2 4.46Å; P387-V698 WeakPolarHBondContact O-CG2 3.28Å
388	D	85.4	Confident	86.8	Confident	10 Å²	10	34.4 Å²	34.4	5%	0.053	18%	0.177	C	C	.	.	S	Bend	trans	-81.7	-5.4	164	-68	-60.5	0	0	0	112.2	K384 G697 V698 K846	K384-D388 WeakPolarHBondContact CD-OD2 3.33Å; K384-D388 IonicContact NZ-OD2 3.3Å; K384-D388 PolarHBondContact NZ-OD2 2.67Å; D388-G697 WeakPolarHBondContact O-CA 3.36Å; D388-V698 CarbonylContact C-O 3.44Å; D388-V698 PolarHBondContact O-N 3.27Å; D388-K846 HydrophobicContact CB-CD 4.19Å; D388-K846 VanDerWaalsContact OD1-CD 3.24Å; D388-K846 WeakPolarHBondContact OD1-CD 3.42Å; D388-K846 WeakPolarHBondContact OD1-CE 3.48Å; D388-K846 IonicContact OD1-NZ 3.17Å; D388-K846 PolarHBondContact OD1-NZ 3.31Å
389	M	88.5	Confident	87.5	Confident	3 Å²	3	33 Å²	33	2%	0.015	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	138.1	-167.2	-162.8	-163.1	78.7	0	0	111.3	Q375 E695 V696	Q375-M389 HydrophobicContact CG-CE 3.58Å; Q375-M389 HydrophobicContact CG-SD 4.47Å; Q375-M389 PolarHBondContact NE2-SD 2.87Å; M389-E695 HydrophobicContact CE-CG 3.57Å; M389-E695 HydrophobicContact CG-CG 3.9Å; M389-E695 HydrophobicContact SD-CG 3.38Å; M389-E695 WeakPolarHBondContact SD-CG 3.48Å; M389-V696 CarbonylContact C-O 3.53Å; M389-V696 VanDerWaalsContact CA-O 3.26Å; M389-V696 WeakPolarHBondContact CA-O 3.35Å; M389-V696 VanDerWaalsContact CG-O 3.24Å; M389-V696 WeakPolarHBondContact CG-O 3.35Å
390	I	92.8	Very high	88.4	Confident	1 Å²	1	31.8 Å²	31.8	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	169.8	175.3	65.1	174.2	0	0	0	111.6	P387 V392 D431 V432 F516 F521 V696 V698	P387-I390 HydrophobicContact CB-CG2 4.23Å; P387-I390 HydrophobicContact CG-CG2 4.04Å; I390-V392 HydrophobicContact CD1-CG2 4.33Å; I390-V392 HydrophobicContact CG1-CG2 4.41Å; I390-D431 HydrophobicContact CB-CB 3.95Å; I390-D431 HydrophobicContact CG2-CB 4.4Å; I390-V432 HydrophobicContact CD1-CG2 4.42Å; I390-F516 HydrophobicContact CD1-CD1 4.33Å; I390-F516 HydrophobicContact CD1-CD2 3.87Å; I390-F516 HydrophobicContact CD1-CE1 4.38Å; I390-F516 HydrophobicContact CD1-CE2 3.88Å; I390-F516 HydrophobicContact CD1-CG 4.1Å; I390-F516 HydrophobicContact CD1-CZ 4.16Å; I390-F516 HydrophobicContact CG2-CE1 3.99Å; I390-F516 HydrophobicContact CG2-CE2 4.33Å; I390-F516 HydrophobicContact CG2-CZ 3.7Å; I390-F521 HydrophobicContact CD1-CZ 4.25Å; I390-V696 HydrophobicContact CD1-CG2 4.33Å; I390-V696 HydrophobicContact CG1-CG2 3.53Å; I390-V696 PolarHBondContact N-O 2.67Å; I390-V696 PolarHBondContact O-N 3.16Å; I390-V698 HydrophobicContact CD1-CG1 4.02Å; I390-V698 HydrophobicContact CG1-CG1 3.9Å; I390-V698 HydrophobicContact CG2-CG2 4.13Å
391	T	95	Very high	89.2	Confident	13 Å²	13	31.5 Å²	31.5	8%	0.08	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	129.8	176.1	63.9	0	0	0	0	111.7	H430 D431 V432 F694	T391-H430 WeakPolarHBondContact OG1-CA 3.37Å; T391-H430 PolarHBondContact OG1-ND1 3.4Å; T391-D431 WeakPolarHBondContact CA-OD2 3.2Å; T391-D431 WeakPolarHBondContact CB-OD2 3.3Å; T391-D431 PolarHBondContact N-OD2 2.95Å; T391-D431 WeakPolarHBondContact O-CB 3.02Å; T391-D431 PolarHBondContact O-N 3.31Å; T391-D431 PolarHBondContact OG1-N 2.88Å; T391-D431 PolarHBondContact OG1-OD2 3.2Å; T391-V432 PolarHBondContact O-N 2.77Å; T391-F694 CarbonylContact C-O 3.52Å; T391-F694 VanDerWaalsContact CA-O 3.27Å; T391-F694 WeakPolarHBondContact CA-O 3.37Å
392	V	98.4	Very high	89.8	Confident	1 Å²	1	30.3 Å²	30.3	1%	0.006	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	118.4	-175.3	-175.6	0	0	0	0	109.5	I390 V394 V432 V434 F521 F523 S693 F694 V696	I390-V392 HydrophobicContact CD1-CG2 4.33Å; I390-V392 HydrophobicContact CG1-CG2 4.41Å; V392-V394 HydrophobicContact CG1-CG2 4.04Å; V392-V432 WeakPolarHBondContact CA-O 3.38Å; V392-V432 HydrophobicContact CG1-CB 4.34Å; V392-V432 HydrophobicContact CG1-CG1 4.47Å; V392-V432 HydrophobicContact CG2-CB 4.36Å; V392-V434 HydrophobicContact CG1-CG2 4.47Å; V392-F521 HydrophobicContact CG2-CE1 4.4Å; V392-F523 HydrophobicContact CG1-CE1 4.01Å; V392-F523 HydrophobicContact CG1-CZ 4.02Å; V392-S693 WeakPolarHBondContact O-CA 3.47Å; V392-F694 PolarHBondContact N-O 3.2Å; V392-F694 PolarHBondContact O-N 3.07Å; V392-V696 HydrophobicContact CG2-CG2 3.88Å
393	F	98.8	Very high	90.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	139.9	167.6	173.3	-88.1	0	0	0	110.4	G395 W411 F412 H430 V432 Y433 V434 I435 F691	F393-G395 VanDerWaalsContact CE1-N 3.34Å; F393-W411 WeakPolarHBondContact CE2-O 3.25Å; F393-W411 HydrophobicContact CZ-CG 4.44Å; F393-W411 WeakPolarHBondContact CZ-O 3.07Å; F393-F412 HydrophobicContact CD1-CD1 4.46Å; F393-F412 AromaticContact CE1-CD1 3.8Å; F393-F412 HydrophobicContact CE1-CD1 3.8Å; F393-F412 HydrophobicContact CE1-CE1 4.13Å; F393-F412 AromaticContact CZ-CD1 3.88Å; F393-F412 HydrophobicContact CZ-CD1 3.88Å; F393-F412 HydrophobicContact CZ-CE1 4.47Å; F393-H430 HydrophobicContact CB-CB 4.16Å; F393-V432 PolarHBondContact N-O 2.93Å; F393-Y433 HydrophobicContact CB-CD1 3.53Å; F393-Y433 HydrophobicContact CB-CE1 3.94Å; F393-Y433 HydrophobicContact CB-CG 4.03Å; F393-Y433 AromaticContact CD1-CD1 3.55Å; F393-Y433 HydrophobicContact CD1-CD1 3.55Å; F393-Y433 HydrophobicContact CD1-CE1 4.37Å; F393-Y433 HydrophobicContact CD1-CG 4.3Å; F393-Y433 HydrophobicContact CD2-CD1 4.4Å; F393-Y433 HydrophobicContact CD2-CE1 4.48Å; F393-Y433 HydrophobicContact CE1-CD1 4.38Å; F393-Y433 AromaticContact CG-CD1 3.56Å; F393-Y433 HydrophobicContact CG-CD1 3.56Å; F393-Y433 HydrophobicContact CG-CE1 4.01Å; F393-Y433 HydrophobicContact CG-CG 4.42Å; F393-V434 PolarHBondContact O-N 2.81Å; F393-I435 HydrophobicContact CE1-CG1 4.42Å; F393-F691 HydrophobicContact CE2-CB 3.8Å; F393-F691 HydrophobicContact CZ-CB 4.14Å
394	V	98.9	Very high	92	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	107.2	177.1	-175.8	0	0	0	0	109.5	V392 V434 F523 I569 L571 V661 A692 F694	V392-V394 HydrophobicContact CG1-CG2 4.04Å; V394-V434 CarbonylContact C-O 3.53Å; V394-V434 WeakPolarHBondContact CA-O 3.27Å; V394-V434 HydrophobicContact CG2-CB 4.45Å; V394-F523 HydrophobicContact CG2-CE1 4.36Å; V394-I569 HydrophobicContact CG1-CG2 4.02Å; V394-I569 HydrophobicContact CG2-CD1 4.29Å; V394-I569 HydrophobicContact CG2-CG2 4.18Å; V394-L571 HydrophobicContact CG1-CB 4.16Å; V394-L571 HydrophobicContact CG1-CD1 3.96Å; V394-L571 HydrophobicContact CG1-CD2 3.9Å; V394-L571 HydrophobicContact CG1-CG 4.23Å; V394-V661 HydrophobicContact CB-CG1 4.31Å; V394-V661 HydrophobicContact CG1-CG1 3.82Å; V394-V661 HydrophobicContact CG1-CG2 4.31Å; V394-A692 PolarHBondContact N-O 2.56Å; V394-A692 PolarHBondContact O-N 3.23Å; V394-F694 HydrophobicContact CB-CE2 4.25Å; V394-F694 HydrophobicContact CG2-CD2 4.02Å; V394-F694 HydrophobicContact CG2-CE2 3.94Å
395	G	98.9	Very high	93.3	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	139.2	175.7	0	0	0	0	0	112	F393 V434 G436 L571 V690	F393-G395 VanDerWaalsContact CE1-N 3.34Å; G395-V434 PolarHBondContact N-O 2.93Å; G395-G436 PolarHBondContact O-N 3.2Å; G395-L571 VanDerWaalsContact O-CD1 3.25Å; G395-L571 WeakPolarHBondContact O-CD1 3.48Å; G395-V690 CarbonylContact C-O 3.56Å; G395-V690 WeakPolarHBondContact CA-O 3.08Å
396	T	98.9	Very high	94.4	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	136.8	164.3	-178.1	0	0	0	0	111.8	G436 Q438 G572 D659 V661 V690	T396-G436 VanDerWaalsContact CA-O 3.3Å; T396-G436 WeakPolarHBondContact CA-O 3.36Å; T396-Q438 PolarHBondContact OG1-NE2 2.76Å; T396-G572 WeakPolarHBondContact OG1-CA 3.26Å; T396-G572 PolarHBondContact OG1-N 2.61Å; T396-D659 HydrophobicContact CG2-CB 4.29Å; T396-V661 HydrophobicContact CG2-CG2 4.11Å; T396-V690 HydrophobicContact CG2-CB 3.83Å; T396-V690 HydrophobicContact CG2-CG1 4.11Å; T396-V690 PolarHBondContact N-O 3.39Å; T396-V690 PolarHBondContact O-N 3.18Å
397	W	98.9	Very high	95.2	Very high	0 Å²	0	23 Å²	23	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	121.1	175.5	-177.4	30.4	0	0	0	113.4	M399 P404 W411 G436 T437 Q438 I682 H687 P689	W397-M399 HydrophobicContact CD2-CG 3.74Å; W397-M399 HydrophobicContact CE3-CG 3.66Å; W397-M399 HydrophobicContact CE3-SD 4.42Å; W397-M399 HydrophobicContact CG-CG 4.29Å; W397-M399 HydrophobicContact CH2-CG 4.42Å; W397-M399 HydrophobicContact CZ2-CG 4.48Å; W397-M399 HydrophobicContact CZ3-CE 4.28Å; W397-M399 HydrophobicContact CZ3-CG 4.02Å; W397-M399 PolarHBondContact O-N 2.82Å; W397-P404 HydrophobicContact CH2-CB 4.29Å; W397-P404 HydrophobicContact CZ3-CB 4.09Å; W397-W411 HydrophobicContact CB-CH2 3.7Å; W397-W411 HydrophobicContact CB-CZ2 3.67Å; W397-W411 HydrophobicContact CE3-CH2 4.36Å; W397-W411 HydrophobicContact CE3-CZ3 4.17Å; W397-G436 PolarHBondContact N-O 2.98Å; W397-T437 VanDerWaalsContact O-CA 3.32Å; W397-T437 WeakPolarHBondContact O-CA 3.38Å; W397-Q438 PolarHBondContact O-N 3Å; W397-Q438 PolarHBondContact O-OE1 3.24Å; W397-I682 HydrophobicContact CH2-CG2 3.55Å; W397-I682 HydrophobicContact CZ2-CG2 3.54Å; W397-I682 HydrophobicContact CZ3-CG2 4.25Å; W397-H687 PolarHBondContact NE1-O 2.95Å; W397-P689 HydrophobicContact CB-CB 4.07Å; W397-P689 HydrophobicContact CB-CG 4.37Å; W397-P689 HydrophobicContact CD2-CB 4.31Å; W397-P689 HydrophobicContact CD2-CG 3.66Å; W397-P689 HydrophobicContact CE3-CG 4.2Å; W397-P689 HydrophobicContact CG-CB 3.94Å; W397-P689 HydrophobicContact CG-CG 3.71Å; W397-P689 HydrophobicContact CZ2-CG 4.33Å
398	N	98.8	Very high	95.8	Very high	3 Å²	3	22.3 Å²	22.3	2%	0.016	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	108.5	163.4	-175.7	-28.8	0	0	0	109.3	G400 Q438 E439 D573 S685 H687	N398-G400 PolarHBondContact O-N 2.82Å; N398-G400 WeakPolarHBondContact OD1-CA 3.45Å; N398-G400 PolarHBondContact OD1-N 3.03Å; N398-Q438 CarbonylContact C-O 3.35Å; N398-Q438 VanDerWaalsContact CA-O 3.25Å; N398-Q438 WeakPolarHBondContact CA-O 3.14Å; N398-Q438 HydrophobicContact CB-CB 4.26Å; N398-Q438 PolarHBondContact OD1-O 3.11Å; N398-E439 WeakPolarHBondContact OD1-CB 3.31Å; N398-D573 HydrophobicContact CB-CB 4.26Å; N398-D573 PolarHBondContact ND2-OD2 3.39Å; N398-S685 WeakPolarHBondContact O-CB 3.3Å; N398-S685 PolarHBondContact O-OG 2.9Å; N398-H687 HydrophobicContact CB-CB 4.12Å; N398-H687 PolarHBondContact ND2-NE2 2.99Å
399	M	98.7	Very high	96.3	Very high	0 Å²	0	23 Å²	23	0%	0	15%	0.147	C	C	.	.			trans	-77.9	-7.7	-176.9	-63.8	173.9	71.9	0	0	113	W397 N401 A402 P404 T437 Q438 D440 L442 W447	W397-M399 HydrophobicContact CD2-CG 3.74Å; W397-M399 HydrophobicContact CE3-CG 3.66Å; W397-M399 HydrophobicContact CE3-SD 4.42Å; W397-M399 HydrophobicContact CG-CG 4.29Å; W397-M399 HydrophobicContact CH2-CG 4.42Å; W397-M399 HydrophobicContact CZ2-CG 4.48Å; W397-M399 HydrophobicContact CZ3-CE 4.28Å; W397-M399 HydrophobicContact CZ3-CG 4.02Å; W397-M399 PolarHBondContact O-N 2.82Å; M399-N401 PolarHBondContact O-N 3.44Å; M399-N401 VanDerWaalsContact O-N 3.14Å; M399-A402 PolarHBondContact O-N 3.46Å; M399-P404 HydrophobicContact CE-CG 4.49Å; M399-T437 HydrophobicContact CG-CG2 4.3Å; M399-T437 HydrophobicContact SD-CG2 3.64Å; M399-Q438 PolarHBondContact N-O 2.98Å; M399-D440 HydrophobicContact SD-CB 3.85Å; M399-L442 HydrophobicContact CE-CD1 4.39Å; M399-L442 HydrophobicContact CE-CG 4.47Å; M399-W447 HydrophobicContact CE-CZ3 4.27Å
400	G	96.9	Very high	96.7	Very high	7 Å²	7	23.5 Å²	23.5	7%	0.072	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	28.7	176.2	0	0	0	0	0	114.1	N398 A402 R634	N398-G400 PolarHBondContact O-N 2.82Å; N398-G400 WeakPolarHBondContact OD1-CA 3.45Å; N398-G400 PolarHBondContact OD1-N 3.03Å; G400-A402 VanDerWaalsContact C-N 3.26Å; G400-A402 PolarHBondContact O-N 3.41Å; G400-R634 PolarHBondContact O-NH2 2.96Å
401	N	96.4	Very high	97	Very high	88 Å²	88	23.5 Å²	23.5	47%	0.471	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	26.3	-174.2	-34.8	-90	0	0	0	114.3	M399 E439	M399-N401 PolarHBondContact O-N 3.44Å; M399-N401 VanDerWaalsContact O-N 3.14Å; N401-E439 WeakPolarHBondContact CA-O 3.23Å; N401-E439 PolarHBondContact N-O 2.79Å; N401-E439 PolarHBondContact ND2-OE2 2.97Å
402	A	95.4	Very high	97	Very high	21 Å²	21	22.9 Å²	22.9	17%	0.174	15%	0.147	C	C	.	.			trans	-112	152.2	166.3	0	0	0	0	0	111.4	M399 G400 P441 T684	M399-A402 PolarHBondContact O-N 3.46Å; G400-A402 VanDerWaalsContact C-N 3.26Å; G400-A402 PolarHBondContact O-N 3.41Å; A402-P441 WeakPolarHBondContact O-CG 3.49Å; A402-T684 WeakPolarHBondContact CB-O 3.33Å
403	G	92.8	Very high	96.9	Very high	33 Å²	33	24.5 Å²	24.5	34%	0.34	15%	0.154	S	C	.	.	P	Polyproline II helix	trans	-66.2	161.4	175.1	0	0	0	0	0	112.6	T684	G403-T684 WeakPolarHBondContact O-CB 3.44Å; G403-T684 PolarHBondContact O-OG1 2.99Å
404	P	97	Very high	96.8	Very high	31 Å²	31	24.5 Å²	24.5	20%	0.201	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-68.4	151.4	171.4	32.1	-35.4	0	0	0	110.7	W397 M399 I408 L442 W447 T450	W397-P404 HydrophobicContact CH2-CB 4.29Å; W397-P404 HydrophobicContact CZ3-CB 4.09Å; M399-P404 HydrophobicContact CE-CG 4.49Å; P404-I408 HydrophobicContact CB-CG2 4.21Å; P404-L442 HydrophobicContact CG-CD1 4.07Å; P404-W447 HydrophobicContact CB-CZ3 4.16Å; P404-W447 HydrophobicContact CG-CZ3 4.07Å; P404-T450 HydrophobicContact CG-CG2 4.28Å
405	P	96.6	Very high	96.7	Very high	30 Å²	30	26.1 Å²	26.1	20%	0.195	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-65.6	160.5	164.8	29.5	-33.1	0	0	0	110.6	N407 I408 I682 T684	P405-N407 WeakPolarHBondContact CG-O 3.23Å; P405-N407 PolarHBondContact O-N 2.85Å; P405-I408 HydrophobicContact CG-CG2 3.92Å; P405-I682 HydrophobicContact CG-CB 4.49Å; P405-I682 HydrophobicContact CG-CG1 4.33Å; P405-I682 HydrophobicContact CG-CG2 3.97Å; P405-T684 HydrophobicContact CB-CG2 4.15Å; P405-T684 HydrophobicContact CG-CG2 4.37Å
406	P	91.8	Very high	96.6	Very high	145 Å²	145	27.4 Å²	27.4	94%	0.942	18%	0.175	S	C	*	.	S	Bend	trans	-63.1	-11.3	-179.8	-24	34.9	0	0	0	115.5
407	N	95.1	Very high	96.6	Very high	78 Å²	78	30.6 Å²	30.6	42%	0.417	19%	0.191	S	C	.	.			trans	-129.6	123.6	175	-175.5	-2.8	0	0	0	109.1	P405 D409	P405-N407 WeakPolarHBondContact CG-O 3.23Å; P405-N407 PolarHBondContact O-N 2.85Å; N407-D409 VanDerWaalsContact OD1-CB 3.28Å; N407-D409 WeakPolarHBondContact OD1-CB 3.36Å; N407-D409 PolarHBondContact OD1-N 3.27Å; N407-D409 PolarHBondContact OD1-OD1 2.86Å; N407-D409 PolarHBondContact OD1-OD2 3.07Å
408	I	97.4	Very high	96.5	Very high	4 Å²	4	31.5 Å²	31.5	2%	0.021	20%	0.201	C	C	.	.			trans	-130.2	18.3	174.4	56.9	171.1	0	0	0	111.6	P404 P405 S410 W411 F412 W447 T450 A454 I682	P404-I408 HydrophobicContact CB-CG2 4.21Å; P405-I408 HydrophobicContact CG-CG2 3.92Å; I408-S410 VanDerWaalsContact C-N 3.26Å; I408-S410 PolarHBondContact O-N 3.38Å; I408-W411 WeakPolarHBondContact O-CB 3.38Å; I408-W411 PolarHBondContact O-N 3.07Å; I408-W411 VanDerWaalsContact O-N 3.16Å; I408-F412 HydrophobicContact CD1-CE2 3.64Å; I408-F412 HydrophobicContact CD1-CZ 3.93Å; I408-F412 HydrophobicContact CG1-CE2 3.81Å; I408-W447 HydrophobicContact CD1-CH2 4.2Å; I408-W447 HydrophobicContact CD1-CZ3 4.3Å; I408-T450 HydrophobicContact CD1-CG2 4.28Å; I408-A454 HydrophobicContact CG1-CB 4.21Å; I408-I682 HydrophobicContact CB-CD1 3.89Å; I408-I682 HydrophobicContact CG2-CD1 3.9Å; I408-I682 HydrophobicContact CG2-CG1 4.28Å
409	D	95.9	Very high	96.3	Very high	26 Å²	26	34.9 Å²	34.9	14%	0.139	22%	0.215	C	C	.	.	H	α-helix	trans	-59.2	-35.8	-173.3	-59.7	-6.1	0	0	0	112.2	N407 W411 F412 H413 K457 I458	N407-D409 VanDerWaalsContact OD1-CB 3.28Å; N407-D409 WeakPolarHBondContact OD1-CB 3.36Å; N407-D409 PolarHBondContact OD1-N 3.27Å; N407-D409 PolarHBondContact OD1-OD1 2.86Å; N407-D409 PolarHBondContact OD1-OD2 3.07Å; D409-W411 PolarHBondContact O-N 3.15Å; D409-F412 PolarHBondContact O-N 3.17Å; D409-F412 VanDerWaalsContact O-N 3.15Å; D409-H413 PolarHBondContact O-CD2 2.96Å; D409-H413 VanDerWaalsContact O-CD2 3.25Å; D409-H413 PolarHBondContact O-N 2.94Å; D409-K457 VanDerWaalsContact CG-NZ 3.3Å; D409-K457 IonicContact OD1-NZ 2.82Å; D409-K457 PolarHBondContact OD1-NZ 2.81Å; D409-K457 VanDerWaalsContact OD2-CE 3.28Å; D409-K457 WeakPolarHBondContact OD2-CE 3.43Å; D409-K457 IonicContact OD2-NZ 3.83Å; D409-K457 PolarHBondContact OD2-NZ 2.79Å; D409-I458 HydrophobicContact CB-CG2 3.83Å
410	S	97	Very high	96.1	Very high	13 Å²	13	35.9 Å²	35.9	9%	0.091	22%	0.221	C	C	.	.	H	α-helix	trans	-55.6	-35.1	178.7	59.6	0	0	0	0	112.9	I408 C414 K415 D681	I408-S410 VanDerWaalsContact C-N 3.26Å; I408-S410 PolarHBondContact O-N 3.38Å; S410-C414 PolarHBondContact O-N 3.17Å; S410-K415 PolarHBondContact O-N 2.98Å; S410-D681 WeakPolarHBondContact CB-OD1 3Å; S410-D681 WeakPolarHBondContact CB-OD2 3.48Å; S410-D681 PolarHBondContact OG-OD1 3.27Å; S410-D681 PolarHBondContact OG-OD2 2.89Å
411	W	98.3	Very high	95.8	Very high	0 Å²	0	36 Å²	36	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-65.5	-48.4	178.4	-168	26.2	0	0	0	110.9	F393 W397 I408 D409 C414 I435 T437 W447 T679 I682 P689 V690	F393-W411 WeakPolarHBondContact CE2-O 3.25Å; F393-W411 HydrophobicContact CZ-CG 4.44Å; F393-W411 WeakPolarHBondContact CZ-O 3.07Å; W397-W411 HydrophobicContact CB-CH2 3.7Å; W397-W411 HydrophobicContact CB-CZ2 3.67Å; W397-W411 HydrophobicContact CE3-CH2 4.36Å; W397-W411 HydrophobicContact CE3-CZ3 4.17Å; I408-W411 WeakPolarHBondContact O-CB 3.38Å; I408-W411 PolarHBondContact O-N 3.07Å; I408-W411 VanDerWaalsContact O-N 3.16Å; D409-W411 PolarHBondContact O-N 3.15Å; W411-C414 PolarHBondContact O-N 2.71Å; W411-I435 HydrophobicContact CH2-CG2 3.4Å; W411-I435 HydrophobicContact CZ2-CG2 4.19Å; W411-I435 HydrophobicContact CZ3-CG2 3.73Å; W411-T437 HydrophobicContact CH2-CG2 4.48Å; W411-W447 HydrophobicContact CH2-CZ2 4.38Å; W411-W447 AromaticContact CZ3-CH2 3.92Å; W411-W447 HydrophobicContact CZ3-CH2 3.92Å; W411-W447 AromaticContact CZ3-CZ2 3.95Å; W411-W447 HydrophobicContact CZ3-CZ2 3.95Å; W411-T679 VanDerWaalsContact CA-CG2 3.49Å; W411-T679 HydrophobicContact CB-CG2 3.85Å; W411-T679 HydrophobicContact CG-CG2 4.34Å; W411-I682 HydrophobicContact CB-CD1 3.99Å; W411-P689 HydrophobicContact CD2-CB 3.93Å; W411-P689 HydrophobicContact CG-CB 3.9Å; W411-P689 HydrophobicContact CZ2-CB 4.32Å; W411-V690 PolarHBondContact NE1-O 3.09Å
412	F	97.1	Very high	95.4	Very high	1 Å²	1	32.9 Å²	32.9	0%	0.004	20%	0.203	C	C	.	.	H	α-helix	trans	-75.6	-23.2	-178.3	-57.7	-51.8	0	0	0	114	F393 I408 D409 C414 Y433 I435 V451 A454 L455 I458	F393-F412 HydrophobicContact CD1-CD1 4.46Å; F393-F412 AromaticContact CE1-CD1 3.8Å; F393-F412 HydrophobicContact CE1-CD1 3.8Å; F393-F412 HydrophobicContact CE1-CE1 4.13Å; F393-F412 AromaticContact CZ-CD1 3.88Å; F393-F412 HydrophobicContact CZ-CD1 3.88Å; F393-F412 HydrophobicContact CZ-CE1 4.47Å; I408-F412 HydrophobicContact CD1-CE2 3.64Å; I408-F412 HydrophobicContact CD1-CZ 3.93Å; I408-F412 HydrophobicContact CG1-CE2 3.81Å; D409-F412 PolarHBondContact O-N 3.17Å; D409-F412 VanDerWaalsContact O-N 3.15Å; F412-C414 VanDerWaalsContact C-N 3.32Å; F412-Y433 HydrophobicContact CB-CE1 4.32Å; F412-Y433 HydrophobicContact CD1-CD1 4.3Å; F412-I435 HydrophobicContact CE1-CD1 4.5Å; F412-I435 HydrophobicContact CE1-CG1 3.85Å; F412-V451 HydrophobicContact CE1-CG1 4.33Å; F412-V451 HydrophobicContact CZ-CG1 3.9Å; F412-V451 HydrophobicContact CZ-CG2 4.32Å; F412-A454 HydrophobicContact CD2-CB 4.04Å; F412-A454 HydrophobicContact CE2-CB 3.67Å; F412-L455 HydrophobicContact CB-CD2 3.9Å; F412-L455 HydrophobicContact CD1-CD2 3.95Å; F412-L455 HydrophobicContact CD2-CD2 3.97Å; F412-L455 HydrophobicContact CG-CD2 3.66Å; F412-I458 HydrophobicContact CB-CD1 3.49Å; F412-I458 VanDerWaalsContact CB-CD1 3.49Å; F412-I458 HydrophobicContact CD2-CD1 4.39Å; F412-I458 HydrophobicContact CG-CD1 4.35Å
413	H	95.1	Very high	94.9	Very high	34 Å²	34	37.3 Å²	37.3	16%	0.157	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-0.4	169.1	-72.4	-68.4	0	0	0	113.8	D409 K415 R421 D426 I458	D409-H413 PolarHBondContact O-CD2 2.96Å; D409-H413 VanDerWaalsContact O-CD2 3.25Å; D409-H413 PolarHBondContact O-N 2.94Å; H413-K415 HydrophobicContact CB-CD 4.49Å; H413-K415 HydrophobicContact CB-CG 3.7Å; H413-R421 WeakPolarHBondContact O-CB 3.32Å; H413-D426 PolarHBondContact CE1-O 2.92Å; H413-D426 PolarHBondContact ND1-O 3.23Å; H413-I458 WeakPolarHBondContact NE2-CB 3.41Å
414	C	97.4	Very high	94.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	48.9	-175.3	-61.7	0	0	0	0	113.4	S410 W411 F412 T420 R421 A675 F691	S410-C414 PolarHBondContact O-N 3.17Å; W411-C414 PolarHBondContact O-N 2.71Å; F412-C414 VanDerWaalsContact C-N 3.32Å; C414-T420 WeakPolarHBondContact O-CA 3.39Å; C414-T420 VanDerWaalsContact O-CB 3.29Å; C414-T420 WeakPolarHBondContact O-CB 3.47Å; C414-R421 HydrophobicContact CB-CB 3.95Å; C414-R421 PolarHBondContact O-N 3.29Å; C414-A675 HydrophobicContact CB-CB 3.85Å; C414-F691 VanDerWaalsContact C-CZ 3.41Å; C414-F691 HydrophobicContact CB-CD2 3.4Å; C414-F691 VanDerWaalsContact CB-CD2 3.4Å; C414-F691 HydrophobicContact CB-CE2 3.65Å; C414-F691 HydrophobicContact CB-CG 3.95Å; C414-F691 HydrophobicContact CB-CZ 4.35Å; C414-F691 WeakPolarHBondContact O-CE2 2.97Å; C414-F691 WeakPolarHBondContact O-CZ 3.44Å
415	K	96.8	Very high	93.4	Very high	35 Å²	35	35.8 Å²	35.8	15%	0.152	21%	0.207	C	C	.	.			trans	-107.4	148.3	-178.2	-57.5	-63	176.1	179	0	112.4	S410 H413 R421 D423 D426 F691	S410-K415 PolarHBondContact O-N 2.98Å; H413-K415 HydrophobicContact CB-CD 4.49Å; H413-K415 HydrophobicContact CB-CG 3.7Å; K415-R421 PolarHBondContact NZ-O 3.48Å; K415-D423 IonicContact NZ-OD1 2.97Å; K415-D423 PolarHBondContact NZ-OD1 3.23Å; K415-D426 WeakPolarHBondContact CE-OD1 3.42Å; K415-D426 WeakPolarHBondContact CE-OD2 3.39Å; K415-D426 IonicContact NZ-OD1 2.79Å; K415-D426 PolarHBondContact NZ-OD1 2.9Å; K415-D426 IonicContact NZ-OD2 3.34Å; K415-D426 PolarHBondContact NZ-OD2 3.07Å; K415-F691 WeakPolarHBondContact O-CE1 3.49Å
416	G	96.9	Very high	92.7	Very high	27 Å²	27	36 Å²	36	28%	0.278	21%	0.207	S	C	.	.	S	Bend	trans	133.4	-118.9	-180	0	0	0	0	0	111.3	T420 C678 N680	G416-T420 WeakPolarHBondContact O-CG2 3.38Å; G416-C678 WeakPolarHBondContact CA-O 3.46Å; G416-N680 WeakPolarHBondContact CA-OD1 3.27Å
417	L	97.4	Very high	92	Very high	67 Å²	67	34 Å²	34	35%	0.351	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	153.2	-174.1	-56.4	177.2	0	0	0	111.7	F626 P627 G677 C678 N680	L417-F626 HydrophobicContact CB-CB 4.21Å; L417-P627 HydrophobicContact CD1-CG 3.53Å; L417-G677 WeakPolarHBondContact O-CA 3.5Å; L417-C678 PolarHBondContact N-O 2.73Å; L417-C678 PolarHBondContact O-N 3.29Å; L417-C678 VanDerWaalsContact O-N 3.1Å; L417-N680 HydrophobicContact CD1-CB 4.31Å; L417-N680 HydrophobicContact CG-CB 4.27Å
418	G	96.9	Very high	91.5	Very high	19 Å²	19	30.4 Å²	30.4	20%	0.196	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	90.1	-149.2	-176.5	0	0	0	0	0	114.2	T420 T625	G418-T420 VanDerWaalsContact C-N 3.25Å; G418-T420 PolarHBondContact O-N 2.83Å; G418-T625 WeakPolarHBondContact CA-O 3.47Å; G418-T625 WeakPolarHBondContact CA-OG1 3.24Å
419	K	95.4	Very high	91.2	Very high	74 Å²	74	31.1 Å²	31.1	32%	0.322	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	76.6	177.1	-174	-179.8	170.1	176.4	0	109.1	E622 T625 C673 Q674 A675 Y676	K419-E622 HydrophobicContact CD-CG 4.11Å; K419-E622 IonicContact NZ-OE2 2.77Å; K419-E622 PolarHBondContact NZ-OE2 3.26Å; K419-T625 PolarHBondContact N-OG1 3.35Å; K419-C673 PolarHBondContact NZ-O 2.78Å; K419-Q674 WeakPolarHBondContact CE-O 3.1Å; K419-A675 CarbonylContact O-C 3.38Å; K419-A675 WeakPolarHBondContact O-CA 3.33Å; K419-A675 WeakPolarHBondContact O-CB 3.22Å; K419-Y676 WeakPolarHBondContact CA-O 3.27Å; K419-Y676 WeakPolarHBondContact CB-O 3.43Å; K419-Y676 PolarHBondContact N-O 2.87Å; K419-Y676 PolarHBondContact O-N 3.49Å
420	T	95.3	Very high	91.1	Very high	20 Å²	20	30.1 Å²	30.1	12%	0.123	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-77.2	160.5	178.9	74.2	0	0	0	0	112.6	K365 C414 G416 G418 F691	K365-T420 PolarHBondContact NZ-OG1 2.72Å; C414-T420 WeakPolarHBondContact O-CA 3.39Å; C414-T420 VanDerWaalsContact O-CB 3.29Å; C414-T420 WeakPolarHBondContact O-CB 3.47Å; G416-T420 WeakPolarHBondContact O-CG2 3.38Å; G418-T420 VanDerWaalsContact C-N 3.25Å; G418-T420 PolarHBondContact O-N 2.83Å; T420-F691 HydrophobicContact CG2-CZ 4.34Å
421	R	89.9	Confident	91	Very high	11 Å²	11	29.9 Å²	29.9	4%	0.042	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-75	146.3	167.7	-164.3	179	-157.8	-172.8	1.7	111.3	Q372 H413 C414 K415 A425 I428 H430	Q372-R421 VanDerWaalsContact OE1-NE 3.11Å; H413-R421 WeakPolarHBondContact O-CB 3.32Å; C414-R421 HydrophobicContact CB-CB 3.95Å; C414-R421 PolarHBondContact O-N 3.29Å; K415-R421 PolarHBondContact NZ-O 3.48Å; R421-A425 HydrophobicContact CG-CB 4.08Å; R421-A425 PolarHBondContact NH1-O 3.36Å; R421-A425 PolarHBondContact NH2-O 2.84Å; R421-I428 PolarHBondContact NH1-O 2.83Å; R421-I428 PolarHBondContact NH2-O 3.41Å; R421-H430 PolarHBondContact NH1-NE2 2.72Å
422	D	88	Confident	91	Very high	22 Å²	22	30 Å²	30	12%	0.118	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-75.1	142.4	174.8	-170.3	-88.1	0	0	0	112.1	K365 K366 T424 A425	K365-D422 VanDerWaalsContact C-OD2 3.23Å; K365-D422 HydrophobicContact CB-CB 4.23Å; K366-D422 WeakPolarHBondContact CA-OD2 3.45Å; K366-D422 PolarHBondContact N-OD2 2.91Å; K366-D422 VanDerWaalsContact N-OD2 3.11Å; D422-T424 PolarHBondContact O-N 3.39Å; D422-T424 VanDerWaalsContact OD1-CB 3.3Å; D422-T424 WeakPolarHBondContact OD1-CB 3.17Å; D422-T424 WeakPolarHBondContact OD1-CG2 3.08Å; D422-T424 PolarHBondContact OD1-N 3.44Å; D422-T424 PolarHBondContact OD1-OG1 3.14Å; D422-A425 PolarHBondContact O-N 2.93Å
423	D	85.5	Confident	91.1	Very high	114 Å²	114	30.1 Å²	30.1	61%	0.61	16%	0.163	S	C	*	.	G	3₁₀ helix	trans	-61.1	-27.1	-175.1	-53.7	-18.6	0	0	0	113	K415 A425 D426	K415-D423 IonicContact NZ-OD1 2.97Å; K415-D423 PolarHBondContact NZ-OD1 3.23Å; D423-A425 PolarHBondContact O-N 3.46Å; D423-D426 PolarHBondContact O-N 3.34Å
424	T	80.1	Confident	91.3	Very high	31 Å²	31	28.5 Å²	28.5	19%	0.19	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-65.1	-20.4	175.4	60.3	0	0	0	0	113.8	V285 F287 D422	V285-T424 HydrophobicContact CG1-CG2 3.53Å; F287-T424 HydrophobicContact CE1-CG2 3.8Å; F287-T424 HydrophobicContact CZ-CG2 3.76Å; F287-T424 WeakPolarHBondContact CZ-OG1 3.41Å; D422-T424 PolarHBondContact O-N 3.39Å; D422-T424 VanDerWaalsContact OD1-CB 3.3Å; D422-T424 WeakPolarHBondContact OD1-CB 3.17Å; D422-T424 WeakPolarHBondContact OD1-CG2 3.08Å; D422-T424 PolarHBondContact OD1-N 3.44Å; D422-T424 PolarHBondContact OD1-OG1 3.14Å
425	A	78.6	Confident	91.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-99.4	1.1	-178.4	0	0	0	0	0	113.9	R421 D422 D423 H427 I428	R421-A425 HydrophobicContact CG-CB 4.08Å; R421-A425 PolarHBondContact NH1-O 3.36Å; R421-A425 PolarHBondContact NH2-O 2.84Å; D422-A425 PolarHBondContact O-N 2.93Å; D423-A425 PolarHBondContact O-N 3.46Å; A425-H427 PolarHBondContact O-N 2.94Å; A425-I428 HydrophobicContact CB-CD1 4.03Å; A425-I428 WeakPolarHBondContact O-CB 3.36Å; A425-I428 PolarHBondContact O-N 3.03Å
426	D	81.3	Confident	91.5	Very high	36 Å²	36	26.8 Å²	26.8	19%	0.193	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-28.5	-173.7	-70.7	-7.9	0	0	0	113.5	H413 K415 D423 I428	H413-D426 PolarHBondContact CE1-O 2.92Å; H413-D426 PolarHBondContact ND1-O 3.23Å; K415-D426 WeakPolarHBondContact CE-OD1 3.42Å; K415-D426 WeakPolarHBondContact CE-OD2 3.39Å; K415-D426 IonicContact NZ-OD1 2.79Å; K415-D426 PolarHBondContact NZ-OD1 2.9Å; K415-D426 IonicContact NZ-OD2 3.34Å; K415-D426 PolarHBondContact NZ-OD2 3.07Å; D423-D426 PolarHBondContact O-N 3.34Å; D426-I428 PolarHBondContact O-N 3.35Å
427	H	77.3	Confident	91.6	Very high	101 Å²	101	25.5 Å²	25.5	47%	0.468	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-2.5	175.7	-53.3	88.2	0	0	0	113.7	I282 A425 P429	I282-H427 HydrophobicContact CG1-CB 4.28Å; A425-H427 PolarHBondContact O-N 2.94Å; H427-P429 WeakPolarHBondContact O-CD 3.46Å
428	I	84.2	Confident	91.6	Very high	3 Å²	3	22.3 Å²	22.3	2%	0.015	12%	0.119	C	C	.	.			trans	-96.9	102.4	-179	-60.4	169.2	0	0	0	109.3	I282 Q372 L373 Q376 R421 A425 D426	I282-I428 HydrophobicContact CD1-CG1 4.13Å; Q372-I428 HydrophobicContact CB-CD1 4.21Å; L373-I428 HydrophobicContact CD2-CD1 3.88Å; L373-I428 HydrophobicContact CD2-CG1 4.4Å; L373-I428 HydrophobicContact CG-CD1 4.1Å; Q376-I428 HydrophobicContact CG-CD1 4.05Å; Q376-I428 HydrophobicContact CG-CG1 4.32Å; Q376-I428 HydrophobicContact CG-CG2 3.6Å; R421-I428 PolarHBondContact NH1-O 2.83Å; R421-I428 PolarHBondContact NH2-O 3.41Å; A425-I428 HydrophobicContact CB-CD1 4.03Å; A425-I428 WeakPolarHBondContact O-CB 3.36Å; A425-I428 PolarHBondContact O-N 3.03Å; D426-I428 PolarHBondContact O-N 3.35Å
429	P	90.3	Very high	91.7	Very high	20 Å²	20	23.4 Å²	23.4	13%	0.13	12%	0.119	C	C	.	.			trans	-69.6	137.1	178	28.2	-35.3	0	0	0	111.8	H427 T459 I461 F463 K481	H427-P429 WeakPolarHBondContact O-CD 3.46Å; P429-T459 HydrophobicContact CB-CG2 3.73Å; P429-I461 HydrophobicContact CB-CD1 3.96Å; P429-I461 HydrophobicContact CG-CD1 3.71Å; P429-F463 HydrophobicContact CB-CZ 4.31Å; P429-K481 VanDerWaalsContact O-CE 3.26Å; P429-K481 WeakPolarHBondContact O-CE 3.46Å; P429-K481 PolarHBondContact O-NZ 3.17Å
430	H	94.6	Very high	91.8	Very high	4 Å²	4	20 Å²	20	2%	0.019	10%	0.104	C	C	.	.			trans	-68.5	150.4	171.1	-63.2	-63.3	0	0	0	111.3	T391 F393 R421 Y433 K481	T391-H430 WeakPolarHBondContact OG1-CA 3.37Å; T391-H430 PolarHBondContact OG1-ND1 3.4Å; F393-H430 HydrophobicContact CB-CB 4.16Å; R421-H430 PolarHBondContact NH1-NE2 2.72Å; H430-Y433 HydrophobicContact CB-CD2 4.14Å; H430-Y433 HydrophobicContact CB-CE1 4.24Å; H430-Y433 HydrophobicContact CB-CE2 3.61Å; H430-Y433 AromaticContact CD2-CE1 3.94Å; H430-Y433 AromaticContact CD2-CZ 3.91Å; H430-Y433 PolarHBondContact N-OH 2.92Å; H430-Y433 VanDerWaalsContact N-OH 3.14Å; H430-Y433 VanDerWaalsContact O-CE2 3.31Å; H430-Y433 WeakPolarHBondContact O-CE2 3.41Å; H430-K481 VanDerWaalsContact O-CE 3.23Å; H430-K481 WeakPolarHBondContact O-CE 3.39Å
431	D	95.6	Very high	91.8	Very high	9 Å²	9	21.7 Å²	21.7	5%	0.048	12%	0.115	C	C	.	.	S	Bend	trans	-76.2	-36.9	-174.5	-57.4	-70	0	0	0	111.4	I390 T391 A480 K481	I390-D431 HydrophobicContact CB-CB 3.95Å; I390-D431 HydrophobicContact CG2-CB 4.4Å; T391-D431 WeakPolarHBondContact CA-OD2 3.2Å; T391-D431 WeakPolarHBondContact CB-OD2 3.3Å; T391-D431 PolarHBondContact N-OD2 2.95Å; T391-D431 WeakPolarHBondContact O-CB 3.02Å; T391-D431 PolarHBondContact O-N 3.31Å; T391-D431 PolarHBondContact OG1-N 2.88Å; T391-D431 PolarHBondContact OG1-OD2 3.2Å; D431-A480 WeakPolarHBondContact O-CA 2.95Å; D431-K481 PolarHBondContact O-N 3.33Å; D431-K481 WeakPolarHBondContact OD1-CE 3.46Å; D431-K481 IonicContact OD1-NZ 2.89Å; D431-K481 PolarHBondContact OD1-NZ 3.14Å
432	V	98.6	Very high	92.1	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.006	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	138.4	172.1	-177.7	0	0	0	0	109.4	I390 T391 V392 F393 V434 V478 L479 A480 F514	I390-V432 HydrophobicContact CD1-CG2 4.42Å; T391-V432 PolarHBondContact O-N 2.77Å; V392-V432 WeakPolarHBondContact CA-O 3.38Å; V392-V432 HydrophobicContact CG1-CB 4.34Å; V392-V432 HydrophobicContact CG1-CG1 4.47Å; V392-V432 HydrophobicContact CG2-CB 4.36Å; F393-V432 PolarHBondContact N-O 2.93Å; V432-V434 HydrophobicContact CG1-CG2 4.07Å; V432-V478 HydrophobicContact CG1-CG1 3.94Å; V432-L479 CarbonylContact C-O 3.51Å; V432-L479 WeakPolarHBondContact CA-O 3.35Å; V432-A480 HydrophobicContact CG2-CB 4.36Å; V432-F514 HydrophobicContact CG1-CZ 4.25Å
433	Y	98.8	Very high	92.5	Very high	4 Å²	4	23 Å²	23	2%	0.016	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	125.7	168.7	-69.3	-105.5	0	0	0	109.4	F393 F412 H430 L455 F463 L479	F393-Y433 HydrophobicContact CB-CD1 3.53Å; F393-Y433 HydrophobicContact CB-CE1 3.94Å; F393-Y433 HydrophobicContact CB-CG 4.03Å; F393-Y433 AromaticContact CD1-CD1 3.55Å; F393-Y433 HydrophobicContact CD1-CD1 3.55Å; F393-Y433 HydrophobicContact CD1-CE1 4.37Å; F393-Y433 HydrophobicContact CD1-CG 4.3Å; F393-Y433 HydrophobicContact CD2-CD1 4.4Å; F393-Y433 HydrophobicContact CD2-CE1 4.48Å; F393-Y433 HydrophobicContact CE1-CD1 4.38Å; F393-Y433 AromaticContact CG-CD1 3.56Å; F393-Y433 HydrophobicContact CG-CD1 3.56Å; F393-Y433 HydrophobicContact CG-CE1 4.01Å; F393-Y433 HydrophobicContact CG-CG 4.42Å; F412-Y433 HydrophobicContact CB-CE1 4.32Å; F412-Y433 HydrophobicContact CD1-CD1 4.3Å; H430-Y433 HydrophobicContact CB-CD2 4.14Å; H430-Y433 HydrophobicContact CB-CE1 4.24Å; H430-Y433 HydrophobicContact CB-CE2 3.61Å; H430-Y433 AromaticContact CD2-CE1 3.94Å; H430-Y433 AromaticContact CD2-CZ 3.91Å; H430-Y433 PolarHBondContact N-OH 2.92Å; H430-Y433 VanDerWaalsContact N-OH 3.14Å; H430-Y433 VanDerWaalsContact O-CE2 3.31Å; H430-Y433 WeakPolarHBondContact O-CE2 3.41Å; Y433-L455 HydrophobicContact CD1-CD1 4.06Å; Y433-L455 HydrophobicContact CD1-CD2 3.67Å; Y433-L455 HydrophobicContact CD2-CD1 3.89Å; Y433-L455 HydrophobicContact CD2-CD2 4.47Å; Y433-L455 HydrophobicContact CE1-CD2 3.48Å; Y433-L455 VanDerWaalsContact CE1-CD2 3.48Å; Y433-L455 HydrophobicContact CE2-CD1 4.34Å; Y433-L455 HydrophobicContact CE2-CD2 4.3Å; Y433-L455 HydrophobicContact CG-CD1 3.75Å; Y433-L455 HydrophobicContact CG-CD2 4.19Å; Y433-F463 HydrophobicContact CD2-CD1 4.16Å; Y433-F463 AromaticContact CD2-CE1 3.63Å; Y433-F463 HydrophobicContact CD2-CE1 3.63Å; Y433-F463 AromaticContact CD2-CZ 3.95Å; Y433-F463 HydrophobicContact CD2-CZ 3.95Å; Y433-F463 HydrophobicContact CE2-CD1 4.47Å; Y433-F463 AromaticContact CE2-CE1 3.59Å; Y433-F463 HydrophobicContact CE2-CE1 3.59Å; Y433-F463 HydrophobicContact CE2-CE2 4.21Å; Y433-F463 AromaticContact CE2-CZ 3.44Å; Y433-F463 HydrophobicContact CE2-CZ 3.44Å; Y433-F463 VanDerWaalsContact CE2-CZ 3.44Å; Y433-L479 PolarHBondContact N-O 3.3Å; Y433-L479 PolarHBondContact O-N 2.7Å
434	V	98.9	Very high	92.9	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	122.5	173.6	-179.5	0	0	0	0	108.5	V392 F393 V394 G395 V432 I476 V478 F523	V392-V434 HydrophobicContact CG1-CG2 4.47Å; F393-V434 PolarHBondContact O-N 2.81Å; V394-V434 CarbonylContact C-O 3.53Å; V394-V434 WeakPolarHBondContact CA-O 3.27Å; V394-V434 HydrophobicContact CG2-CB 4.45Å; G395-V434 PolarHBondContact N-O 2.93Å; V432-V434 HydrophobicContact CG1-CG2 4.07Å; V434-I476 HydrophobicContact CG1-CD1 3.86Å; V434-I476 HydrophobicContact CG1-CG1 4.02Å; V434-V478 HydrophobicContact CG1-CG2 4.42Å; V434-V478 HydrophobicContact CG2-CG1 4.28Å; V434-V478 HydrophobicContact CG2-CG2 4.17Å; V434-F523 HydrophobicContact CB-CD1 4.2Å; V434-F523 HydrophobicContact CB-CE1 4.37Å; V434-F523 HydrophobicContact CG1-CB 4.14Å; V434-F523 HydrophobicContact CG1-CD1 3.91Å; V434-F523 HydrophobicContact CG1-CG 4.06Å; V434-F523 HydrophobicContact CG2-CD1 3.76Å; V434-F523 HydrophobicContact CG2-CD2 4.2Å; V434-F523 HydrophobicContact CG2-CE1 3.64Å; V434-F523 HydrophobicContact CG2-CE2 4.1Å; V434-F523 HydrophobicContact CG2-CG 4.04Å; V434-F523 HydrophobicContact CG2-CZ 3.82Å
435	I	98.9	Very high	93.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	114.9	-177.6	-53.5	81.6	0	0	0	108.6	F393 W411 F412 W447 V451 I476 I477	F393-I435 HydrophobicContact CE1-CG1 4.42Å; W411-I435 HydrophobicContact CH2-CG2 3.4Å; W411-I435 HydrophobicContact CZ2-CG2 4.19Å; W411-I435 HydrophobicContact CZ3-CG2 3.73Å; F412-I435 HydrophobicContact CE1-CD1 4.5Å; F412-I435 HydrophobicContact CE1-CG1 3.85Å; I435-W447 HydrophobicContact CG2-CZ2 3.87Å; I435-V451 HydrophobicContact CD1-CG1 3.8Å; I435-V451 HydrophobicContact CG1-CG1 4.12Å; I435-I476 WeakPolarHBondContact O-CA 3.42Å; I435-I477 HydrophobicContact CB-CG2 3.77Å; I435-I477 HydrophobicContact CD1-CG2 4.17Å; I435-I477 HydrophobicContact CG1-CG2 4.44Å; I435-I477 PolarHBondContact N-O 3.37Å; I435-I477 PolarHBondContact O-N 3.11Å
436	G	98.9	Very high	94.5	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	129.4	170.8	0	0	0	0	0	111.5	G395 T396 W397 R475 N525	G395-G436 PolarHBondContact O-N 3.2Å; T396-G436 VanDerWaalsContact CA-O 3.3Å; T396-G436 WeakPolarHBondContact CA-O 3.36Å; W397-G436 PolarHBondContact N-O 2.98Å; G436-R475 CarbonylContact C-O 3.56Å; G436-R475 WeakPolarHBondContact CA-O 3.45Å; G436-N525 WeakPolarHBondContact CA-ND2 3.47Å
437	T	98.9	Very high	95.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	151.8	172.3	49.9	0	0	0	0	111.3	W397 M399 W411 D440 W447 I474 R475 N525	W397-T437 VanDerWaalsContact O-CA 3.32Å; W397-T437 WeakPolarHBondContact O-CA 3.38Å; M399-T437 HydrophobicContact CG-CG2 4.3Å; M399-T437 HydrophobicContact SD-CG2 3.64Å; W411-T437 HydrophobicContact CH2-CG2 4.48Å; T437-D440 PolarHBondContact OG1-OD2 3.42Å; T437-W447 HydrophobicContact CG2-CH2 4.26Å; T437-W447 HydrophobicContact CG2-CZ2 3.41Å; T437-W447 VanDerWaalsContact CG2-CZ2 3.41Å; T437-I474 WeakPolarHBondContact O-CA 3.42Å; T437-R475 PolarHBondContact N-O 3.1Å; T437-R475 PolarHBondContact O-N 2.84Å; T437-N525 PolarHBondContact N-ND2 2.97Å; T437-N525 PolarHBondContact O-ND2 3.25Å
438	Q	98.7	Very high	96.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	146.5	173.2	-45.5	81	38.5	0	0	109.7	T396 W397 N398 M399 D440 N473 I474 N525 H527 D573	T396-Q438 PolarHBondContact OG1-NE2 2.76Å; W397-Q438 PolarHBondContact O-N 3Å; W397-Q438 PolarHBondContact O-OE1 3.24Å; N398-Q438 CarbonylContact C-O 3.35Å; N398-Q438 VanDerWaalsContact CA-O 3.25Å; N398-Q438 WeakPolarHBondContact CA-O 3.14Å; N398-Q438 HydrophobicContact CB-CB 4.26Å; N398-Q438 PolarHBondContact OD1-O 3.11Å; M399-Q438 PolarHBondContact N-O 2.98Å; Q438-D440 PolarHBondContact O-N 2.86Å; Q438-D440 VanDerWaalsContact O-N 3.17Å; Q438-N473 CarbonylContact C-O 3.53Å; Q438-N473 WeakPolarHBondContact CA-O 3.35Å; Q438-I474 HydrophobicContact CG-CG2 4.49Å; Q438-N525 PolarHBondContact NE2-OD1 3.39Å; Q438-H527 HydrophobicContact CB-CB 4.19Å; Q438-H527 HydrophobicContact CG-CB 3.99Å; Q438-D573 HydrophobicContact CB-CB 4.47Å; Q438-D573 HydrophobicContact CG-CB 4.11Å
439	E	97.9	Very high	96.6	Very high	41 Å²	41	31.5 Å²	31.5	19%	0.192	16%	0.159	C	C	.	.	S	Bend	trans	51.3	34.3	-168.9	-49.9	-153.9	171.5	0	0	112.2	N398 N401 P441 N473 H527	N398-E439 WeakPolarHBondContact OD1-CB 3.31Å; N401-E439 WeakPolarHBondContact CA-O 3.23Å; N401-E439 PolarHBondContact N-O 2.79Å; N401-E439 PolarHBondContact ND2-OE2 2.97Å; E439-P441 WeakPolarHBondContact O-CD 3.44Å; E439-N473 PolarHBondContact N-O 3.43Å; E439-H527 IonicContact OE1-CE1 2.68Å; E439-H527 PolarHBondContact OE1-CE1 2.63Å
440	D	96.9	Very high	96.9	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.011	17%	0.165	C	C	.	.			trans	-68.8	118.6	174.8	-174.2	-26.1	0	0	0	109.6	M399 T437 Q438 L442 N473 R475	M399-D440 HydrophobicContact SD-CB 3.85Å; T437-D440 PolarHBondContact OG1-OD2 3.42Å; Q438-D440 PolarHBondContact O-N 2.86Å; Q438-D440 VanDerWaalsContact O-N 3.17Å; D440-L442 WeakPolarHBondContact OD1-CB 3.4Å; D440-L442 PolarHBondContact OD1-N 3.11Å; D440-N473 PolarHBondContact N-O 3.41Å; D440-N473 VanDerWaalsContact N-O 3.15Å; D440-N473 WeakPolarHBondContact O-CB 3.26Å; D440-N473 PolarHBondContact O-ND2 3.36Å; D440-R475 IonicContact OD1-NH1 2.67Å; D440-R475 PolarHBondContact OD1-NH1 2.92Å; D440-R475 IonicContact OD2-CZ 2.81Å; D440-R475 IonicContact OD2-NE 3.84Å; D440-R475 IonicContact OD2-NH1 2.75Å; D440-R475 PolarHBondContact OD2-NH1 2.97Å
441	P	96.6	Very high	97.1	Very high	57 Å²	57	32.5 Å²	32.5	37%	0.37	16%	0.164	S	C	.	.			trans	-87.5	-8.3	-179.5	35.7	-34.8	0	0	0	113.7	A402 E439	A402-P441 WeakPolarHBondContact O-CG 3.49Å; E439-P441 WeakPolarHBondContact O-CD 3.44Å
442	L	96.4	Very high	97.1	Very high	24 Å²	24	34.5 Å²	34.5	13%	0.126	17%	0.173	C	C	.	.	S	Bend	trans	-89	158.6	-167.6	-56.3	-174	0	0	0	113	M399 P404 D440 E446 W447 R475	M399-L442 HydrophobicContact CE-CD1 4.39Å; M399-L442 HydrophobicContact CE-CG 4.47Å; P404-L442 HydrophobicContact CG-CD1 4.07Å; D440-L442 WeakPolarHBondContact OD1-CB 3.4Å; D440-L442 PolarHBondContact OD1-N 3.11Å; L442-E446 HydrophobicContact CB-CG 4.36Å; L442-E446 HydrophobicContact CD1-CG 4.34Å; L442-W447 HydrophobicContact CB-CB 4.28Å; L442-W447 HydrophobicContact CD1-CB 4.3Å; L442-W447 HydrophobicContact CD1-CE3 3.88Å; L442-R475 PolarHBondContact O-NH1 2.82Å; L442-R475 PolarHBondContact O-NH2 2.89Å
443	G	94.7	Very high	96.8	Very high	37 Å²	37	39.3 Å²	39.3	38%	0.381	20%	0.198	S	C	.	.			trans	-67.1	151.8	168	0	0	0	0	0	112.4	R445 E446 W447	G443-R445 VanDerWaalsContact C-N 3.3Å; G443-R445 PolarHBondContact O-N 2.88Å; G443-E446 PolarHBondContact N-OE2 2.93Å; G443-E446 VanDerWaalsContact N-OE2 3.11Å; G443-E446 WeakPolarHBondContact O-CB 3.38Å; G443-E446 PolarHBondContact O-N 3.38Å; G443-W447 PolarHBondContact O-N 2.63Å
444	E	94.9	Very high	96.6	Very high	80 Å²	80	39.5 Å²	39.5	37%	0.374	20%	0.201	S	C	.	.	H	α-helix	trans	-56.9	-42	179.6	-76.6	-163.6	144.8	0	0	113.1	S448 I468 T470	E444-S448 WeakPolarHBondContact O-CB 3.43Å; E444-S448 PolarHBondContact O-N 3.19Å; E444-I468 HydrophobicContact CB-CD1 3.94Å; E444-I468 HydrophobicContact CG-CD1 4.21Å; E444-T470 WeakPolarHBondContact CG-OG1 3.48Å; E444-T470 WeakPolarHBondContact OE1-CB 3.47Å; E444-T470 PolarHBondContact OE1-OG1 2.9Å
445	R	94.9	Very high	96.4	Very high	204 Å²	204	39.5 Å²	39.5	77%	0.77	20%	0.201	S	C	*	.	H	α-helix	trans	-63.9	-49.1	176.1	-179.1	178.7	-63.5	152.8	2	111.2	G443 S448 D449	G443-R445 VanDerWaalsContact C-N 3.3Å; G443-R445 PolarHBondContact O-N 2.88Å; R445-S448 PolarHBondContact O-N 2.98Å; R445-D449 VanDerWaalsContact CG-OD2 3.31Å; R445-D449 WeakPolarHBondContact CG-OD2 3.05Å; R445-D449 WeakPolarHBondContact O-CB 3.46Å; R445-D449 PolarHBondContact O-N 2.78Å
446	E	96.5	Very high	96	Very high	108 Å²	108	45.2 Å²	45.2	51%	0.505	22%	0.223	S	C	.	.	H	α-helix	trans	-57.3	-51.8	-178.8	-177.3	-179.7	-155.3	0	0	111.4	L442 G443 D449 T450	L442-E446 HydrophobicContact CB-CG 4.36Å; L442-E446 HydrophobicContact CD1-CG 4.34Å; G443-E446 PolarHBondContact N-OE2 2.93Å; G443-E446 VanDerWaalsContact N-OE2 3.11Å; G443-E446 WeakPolarHBondContact O-CB 3.38Å; G443-E446 PolarHBondContact O-N 3.38Å; E446-D449 PolarHBondContact O-N 2.85Å; E446-T450 PolarHBondContact O-N 2.94Å; E446-T450 PolarHBondContact O-OG1 3.15Å
447	W	97	Very high	95.5	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-64	-42.8	176.4	-179.2	-122.2	0	0	0	112.8	M399 P404 I408 W411 I435 T437 L442 G443 D449 T450 V451	M399-W447 HydrophobicContact CE-CZ3 4.27Å; P404-W447 HydrophobicContact CB-CZ3 4.16Å; P404-W447 HydrophobicContact CG-CZ3 4.07Å; I408-W447 HydrophobicContact CD1-CH2 4.2Å; I408-W447 HydrophobicContact CD1-CZ3 4.3Å; W411-W447 HydrophobicContact CH2-CZ2 4.38Å; W411-W447 AromaticContact CZ3-CH2 3.92Å; W411-W447 HydrophobicContact CZ3-CH2 3.92Å; W411-W447 AromaticContact CZ3-CZ2 3.95Å; W411-W447 HydrophobicContact CZ3-CZ2 3.95Å; I435-W447 HydrophobicContact CG2-CZ2 3.87Å; T437-W447 HydrophobicContact CG2-CH2 4.26Å; T437-W447 HydrophobicContact CG2-CZ2 3.41Å; T437-W447 VanDerWaalsContact CG2-CZ2 3.41Å; L442-W447 HydrophobicContact CB-CB 4.28Å; L442-W447 HydrophobicContact CD1-CB 4.3Å; L442-W447 HydrophobicContact CD1-CE3 3.88Å; G443-W447 PolarHBondContact O-N 2.63Å; W447-D449 VanDerWaalsContact C-N 3.3Å; W447-D449 PolarHBondContact O-N 2.81Å; W447-T450 HydrophobicContact CE3-CG2 4.25Å; W447-T450 HydrophobicContact CZ3-CG2 4.16Å; W447-T450 WeakPolarHBondContact O-CB 3.41Å; W447-T450 PolarHBondContact O-N 2.96Å; W447-V451 HydrophobicContact CD2-CG2 3.86Å; W447-V451 HydrophobicContact CE3-CG2 4.17Å; W447-V451 HydrophobicContact CG-CG2 4.47Å; W447-V451 HydrophobicContact CH2-CG2 4.03Å; W447-V451 HydrophobicContact CZ2-CG2 3.67Å; W447-V451 HydrophobicContact CZ3-CG2 4.25Å; W447-V451 WeakPolarHBondContact O-CG2 3.24Å; W447-V451 PolarHBondContact O-N 2.78Å
448	S	96.4	Very high	94.9	Very high	3 Å²	3	52.8 Å²	52.8	2%	0.021	26%	0.257	C	S	.	.	H	α-helix	trans	-59.3	-42.2	177.3	-175.1	0	0	0	0	111.8	E444 R445 K452 Q465 I477	E444-S448 WeakPolarHBondContact O-CB 3.43Å; E444-S448 PolarHBondContact O-N 3.19Å; R445-S448 PolarHBondContact O-N 2.98Å; S448-K452 WeakPolarHBondContact O-CB 3.43Å; S448-K452 WeakPolarHBondContact O-CD 3.22Å; S448-K452 WeakPolarHBondContact O-CG 3.45Å; S448-K452 PolarHBondContact O-N 3.43Å; S448-K452 WeakPolarHBondContact OG-CE 3.33Å; S448-K452 PolarHBondContact OG-NZ 2.88Å; S448-Q465 PolarHBondContact OG-OE1 2.79Å; S448-I477 WeakPolarHBondContact OG-CD1 3.46Å
449	D	95.1	Very high	94.4	Very high	68 Å²	68	54.2 Å²	54.2	36%	0.364	27%	0.265	S	S	.	.	H	α-helix	trans	-72.9	-36.7	177.6	-64.7	-21.9	0	0	0	111.4	R445 E446 W447 N453	R445-D449 VanDerWaalsContact CG-OD2 3.31Å; R445-D449 WeakPolarHBondContact CG-OD2 3.05Å; R445-D449 WeakPolarHBondContact O-CB 3.46Å; R445-D449 PolarHBondContact O-N 2.78Å; E446-D449 PolarHBondContact O-N 2.85Å; W447-D449 VanDerWaalsContact C-N 3.3Å; W447-D449 PolarHBondContact O-N 2.81Å; D449-N453 WeakPolarHBondContact O-CB 3.24Å; D449-N453 PolarHBondContact O-N 3.07Å; D449-N453 PolarHBondContact O-ND2 3.5Å
450	T	96.4	Very high	93.8	Very high	44 Å²	44	57.2 Å²	57.2	27%	0.27	28%	0.283	S	S	.	.	H	α-helix	trans	-56.5	-52.8	170	-59.1	0	0	0	0	111.4	P404 I408 E446 W447 N453 A454	P404-T450 HydrophobicContact CG-CG2 4.28Å; I408-T450 HydrophobicContact CD1-CG2 4.28Å; E446-T450 PolarHBondContact O-N 2.94Å; E446-T450 PolarHBondContact O-OG1 3.15Å; W447-T450 HydrophobicContact CE3-CG2 4.25Å; W447-T450 HydrophobicContact CZ3-CG2 4.16Å; W447-T450 WeakPolarHBondContact O-CB 3.41Å; W447-T450 PolarHBondContact O-N 2.96Å; T450-N453 PolarHBondContact O-N 2.95Å; T450-A454 PolarHBondContact O-N 2.94Å
451	V	97.3	Very high	93.2	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-65.3	-44.4	-178.5	177	0	0	0	0	111	F412 I435 W447 N453 A454 L455 L479	F412-V451 HydrophobicContact CE1-CG1 4.33Å; F412-V451 HydrophobicContact CZ-CG1 3.9Å; F412-V451 HydrophobicContact CZ-CG2 4.32Å; I435-V451 HydrophobicContact CD1-CG1 3.8Å; I435-V451 HydrophobicContact CG1-CG1 4.12Å; W447-V451 HydrophobicContact CD2-CG2 3.86Å; W447-V451 HydrophobicContact CE3-CG2 4.17Å; W447-V451 HydrophobicContact CG-CG2 4.47Å; W447-V451 HydrophobicContact CH2-CG2 4.03Å; W447-V451 HydrophobicContact CZ2-CG2 3.67Å; W447-V451 HydrophobicContact CZ3-CG2 4.25Å; W447-V451 WeakPolarHBondContact O-CG2 3.24Å; W447-V451 PolarHBondContact O-N 2.78Å; V451-N453 VanDerWaalsContact C-N 3.34Å; V451-N453 PolarHBondContact O-N 2.94Å; V451-A454 PolarHBondContact O-N 2.97Å; V451-L455 HydrophobicContact CG1-CD1 4.29Å; V451-L455 HydrophobicContact CG1-CG 4.38Å; V451-L455 WeakPolarHBondContact O-CG 3.34Å; V451-L455 PolarHBondContact O-N 2.69Å; V451-L479 HydrophobicContact CB-CD1 4.48Å; V451-L479 HydrophobicContact CG1-CD1 3.62Å
452	K	95.6	Very high	93	Very high	52 Å²	52	60 Å²	60	23%	0.226	30%	0.3	C	S	.	.	H	α-helix	trans	-61	-40.8	176.3	-74.5	164.7	-173.3	156.7	0	112.4	S448 R456 L479	S448-K452 WeakPolarHBondContact O-CB 3.43Å; S448-K452 WeakPolarHBondContact O-CD 3.22Å; S448-K452 WeakPolarHBondContact O-CG 3.45Å; S448-K452 PolarHBondContact O-N 3.43Å; S448-K452 WeakPolarHBondContact OG-CE 3.33Å; S448-K452 PolarHBondContact OG-NZ 2.88Å; K452-R456 WeakPolarHBondContact O-CB 3.25Å; K452-R456 PolarHBondContact O-N 3.17Å; K452-L479 HydrophobicContact CG-CD1 4.24Å; K452-L479 HydrophobicContact CG-CD2 4.43Å
453	N	93.3	Very high	92.9	Very high	101 Å²	101	59.4 Å²	59.4	54%	0.54	30%	0.296	S	S	.	.	H	α-helix	trans	-68.8	-39.8	178.8	-74.1	-35.5	0	0	0	111.8	D449 T450 V451 R456 K457	D449-N453 WeakPolarHBondContact O-CB 3.24Å; D449-N453 PolarHBondContact O-N 3.07Å; D449-N453 PolarHBondContact O-ND2 3.5Å; T450-N453 PolarHBondContact O-N 2.95Å; V451-N453 VanDerWaalsContact C-N 3.34Å; V451-N453 PolarHBondContact O-N 2.94Å; N453-R456 PolarHBondContact O-N 3.01Å; N453-K457 VanDerWaalsContact O-CB 3.25Å; N453-K457 WeakPolarHBondContact O-CB 3.41Å; N453-K457 PolarHBondContact O-N 2.89Å
454	A	94.8	Very high	92.8	Very high	9 Å²	9	61.6 Å²	61.6	7%	0.074	30%	0.295	C	S	.	.	H	α-helix	trans	-62.6	-49.2	172.6	0	0	0	0	0	111.7	I408 F412 T450 V451 R456 K457 I458	I408-A454 HydrophobicContact CG1-CB 4.21Å; F412-A454 HydrophobicContact CD2-CB 4.04Å; F412-A454 HydrophobicContact CE2-CB 3.67Å; T450-A454 PolarHBondContact O-N 2.94Å; V451-A454 PolarHBondContact O-N 2.97Å; A454-R456 PolarHBondContact O-N 3.18Å; A454-K457 WeakPolarHBondContact O-CB 3.35Å; A454-K457 PolarHBondContact O-N 3.45Å; A454-I458 PolarHBondContact O-N 3.21Å
455	L	93.7	Very high	93	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-62.4	-41.4	176.8	-67.4	-173.4	0	0	0	112.3	F412 Y433 V451 K457 I458 T459 F463 L479	F412-L455 HydrophobicContact CB-CD2 3.9Å; F412-L455 HydrophobicContact CD1-CD2 3.95Å; F412-L455 HydrophobicContact CD2-CD2 3.97Å; F412-L455 HydrophobicContact CG-CD2 3.66Å; Y433-L455 HydrophobicContact CD1-CD1 4.06Å; Y433-L455 HydrophobicContact CD1-CD2 3.67Å; Y433-L455 HydrophobicContact CD2-CD1 3.89Å; Y433-L455 HydrophobicContact CD2-CD2 4.47Å; Y433-L455 HydrophobicContact CE1-CD2 3.48Å; Y433-L455 VanDerWaalsContact CE1-CD2 3.48Å; Y433-L455 HydrophobicContact CE2-CD1 4.34Å; Y433-L455 HydrophobicContact CE2-CD2 4.3Å; Y433-L455 HydrophobicContact CG-CD1 3.75Å; Y433-L455 HydrophobicContact CG-CD2 4.19Å; V451-L455 HydrophobicContact CG1-CD1 4.29Å; V451-L455 HydrophobicContact CG1-CG 4.38Å; V451-L455 WeakPolarHBondContact O-CG 3.34Å; V451-L455 PolarHBondContact O-N 2.69Å; L455-K457 PolarHBondContact O-N 3.48Å; L455-I458 HydrophobicContact CD2-CD1 4.06Å; L455-I458 PolarHBondContact O-N 3.03Å; L455-T459 WeakPolarHBondContact O-CB 3.4Å; L455-T459 WeakPolarHBondContact O-CG2 3.32Å; L455-T459 PolarHBondContact O-N 3.21Å; L455-T459 PolarHBondContact O-OG1 3.18Å; L455-F463 HydrophobicContact CB-CD2 3.84Å; L455-F463 HydrophobicContact CB-CE2 4.16Å; L455-F463 HydrophobicContact CD1-CD2 4.13Å; L455-F463 HydrophobicContact CD1-CG 4.21Å; L455-L479 HydrophobicContact CD1-CD1 3.65Å
456	R	90.4	Very high	93.1	Very high	120 Å²	120	53.4 Å²	53.4	45%	0.453	27%	0.268	S	S	.	.	H	α-helix	trans	-63.2	-40.7	175.9	-175.5	179.1	175.6	-167.2	-0.4	111.6	K452 N453 A454 N460 I461	K452-R456 WeakPolarHBondContact O-CB 3.25Å; K452-R456 PolarHBondContact O-N 3.17Å; N453-R456 PolarHBondContact O-N 3.01Å; A454-R456 PolarHBondContact O-N 3.18Å; R456-N460 WeakPolarHBondContact O-CA 3.1Å; R456-N460 PolarHBondContact O-N 2.82Å; R456-I461 WeakPolarHBondContact CA-O 3.2Å
457	K	88.3	Confident	93.2	Very high	129 Å²	129	48.8 Å²	48.8	56%	0.561	25%	0.248	S	C	*	.	H	α-helix	trans	-60.5	-46.9	176.3	176.3	-165.1	174	-160.9	0	112	D409 N453 A454 L455	D409-K457 VanDerWaalsContact CG-NZ 3.3Å; D409-K457 IonicContact OD1-NZ 2.82Å; D409-K457 PolarHBondContact OD1-NZ 2.81Å; D409-K457 VanDerWaalsContact OD2-CE 3.28Å; D409-K457 WeakPolarHBondContact OD2-CE 3.43Å; D409-K457 IonicContact OD2-NZ 3.83Å; D409-K457 PolarHBondContact OD2-NZ 2.79Å; N453-K457 VanDerWaalsContact O-CB 3.25Å; N453-K457 WeakPolarHBondContact O-CB 3.41Å; N453-K457 PolarHBondContact O-N 2.89Å; A454-K457 WeakPolarHBondContact O-CB 3.35Å; A454-K457 PolarHBondContact O-N 3.45Å; L455-K457 PolarHBondContact O-N 3.48Å
458	I	88.3	Confident	93.2	Very high	30 Å²	30	50.4 Å²	50.4	15%	0.154	26%	0.257	C	S	.	.	H	α-helix	trans	-84.5	-21.2	-174	73	-173.3	0	0	0	114.4	D409 F412 H413 A454 L455	D409-I458 HydrophobicContact CB-CG2 3.83Å; F412-I458 HydrophobicContact CB-CD1 3.49Å; F412-I458 VanDerWaalsContact CB-CD1 3.49Å; F412-I458 HydrophobicContact CD2-CD1 4.39Å; F412-I458 HydrophobicContact CG-CD1 4.35Å; H413-I458 WeakPolarHBondContact NE2-CB 3.41Å; A454-I458 PolarHBondContact O-N 3.21Å; L455-I458 HydrophobicContact CD2-CD1 4.06Å; L455-I458 PolarHBondContact O-N 3.03Å
459	T	86.7	Confident	93.3	Very high	30 Å²	30	52.3 Å²	52.3	18%	0.184	27%	0.265	C	S	.	.	H	α-helix	trans	-115.5	-15.2	-175.9	67.4	0	0	0	0	115.1	P429 L455 I461 F463	P429-T459 HydrophobicContact CB-CG2 3.73Å; L455-T459 WeakPolarHBondContact O-CB 3.4Å; L455-T459 WeakPolarHBondContact O-CG2 3.32Å; L455-T459 PolarHBondContact O-N 3.21Å; L455-T459 PolarHBondContact O-OG1 3.18Å; T459-I461 PolarHBondContact O-N 2.85Å; T459-I461 WeakPolarHBondContact OG1-CB 3.46Å; T459-I461 PolarHBondContact OG1-N 3.04Å; T459-F463 HydrophobicContact CG2-CE2 4.05Å; T459-F463 HydrophobicContact CG2-CZ 4.49Å; T459-F463 WeakPolarHBondContact OG1-CE2 3.33Å
460	N	85.3	Confident	93.5	Very high	104 Å²	104	50.9 Å²	50.9	56%	0.556	26%	0.259	S	S	*	.	S	Bend	trans	53.8	28.3	-162.4	-156.5	16.2	0	0	0	114.9	R456	R456-N460 WeakPolarHBondContact O-CA 3.1Å; R456-N460 PolarHBondContact O-N 2.82Å
461	I	85.8	Confident	93.4	Very high	43 Å²	43	49.3 Å²	49.3	22%	0.221	25%	0.249	C	C	.	.			trans	-115.7	128.3	176.8	-61.5	172	0	0	0	110.6	P429 R456 T459 F463 P482	P429-I461 HydrophobicContact CB-CD1 3.96Å; P429-I461 HydrophobicContact CG-CD1 3.71Å; R456-I461 WeakPolarHBondContact CA-O 3.2Å; T459-I461 PolarHBondContact O-N 2.85Å; T459-I461 WeakPolarHBondContact OG1-CB 3.46Å; T459-I461 PolarHBondContact OG1-N 3.04Å; I461-F463 HydrophobicContact CB-CD2 4.09Å; I461-F463 HydrophobicContact CB-CE2 3.75Å; I461-F463 HydrophobicContact CB-CZ 4.4Å; I461-F463 HydrophobicContact CG2-CD2 3.91Å; I461-F463 HydrophobicContact CG2-CE2 3.85Å; I461-F463 HydrophobicContact CG2-CG 4.4Å; I461-F463 HydrophobicContact CG2-CZ 4.27Å; I461-F463 WeakPolarHBondContact O-CD2 3.46Å; I461-F463 PolarHBondContact O-N 2.84Å; I461-F463 VanDerWaalsContact O-N 3.14Å; I461-P482 HydrophobicContact CG2-CG 4.37Å
462	S	90.7	Very high	93.3	Very high	74 Å²	74	54.3 Å²	54.3	52%	0.517	27%	0.268	S	S	.	.			trans	-79.8	85.7	168.6	-62.6	0	0	0	0	110.2	P482	S462-P482 VanDerWaalsContact O-CG 3.32Å; S462-P482 WeakPolarHBondContact O-CG 3.34Å
463	F	94.1	Very high	93.3	Very high	12 Å²	12	54.6 Å²	54.6	5%	0.053	27%	0.272	C	S	.	.			trans	-58.8	139.2	-179.4	-79.7	-97	0	0	0	113	P429 Y433 L455 T459 I461 L479 A480 K481	P429-F463 HydrophobicContact CB-CZ 4.31Å; Y433-F463 HydrophobicContact CD2-CD1 4.16Å; Y433-F463 AromaticContact CD2-CE1 3.63Å; Y433-F463 HydrophobicContact CD2-CE1 3.63Å; Y433-F463 AromaticContact CD2-CZ 3.95Å; Y433-F463 HydrophobicContact CD2-CZ 3.95Å; Y433-F463 HydrophobicContact CE2-CD1 4.47Å; Y433-F463 AromaticContact CE2-CE1 3.59Å; Y433-F463 HydrophobicContact CE2-CE1 3.59Å; Y433-F463 HydrophobicContact CE2-CE2 4.21Å; Y433-F463 AromaticContact CE2-CZ 3.44Å; Y433-F463 HydrophobicContact CE2-CZ 3.44Å; Y433-F463 VanDerWaalsContact CE2-CZ 3.44Å; L455-F463 HydrophobicContact CB-CD2 3.84Å; L455-F463 HydrophobicContact CB-CE2 4.16Å; L455-F463 HydrophobicContact CD1-CD2 4.13Å; L455-F463 HydrophobicContact CD1-CG 4.21Å; T459-F463 HydrophobicContact CG2-CE2 4.05Å; T459-F463 HydrophobicContact CG2-CZ 4.49Å; T459-F463 WeakPolarHBondContact OG1-CE2 3.33Å; I461-F463 HydrophobicContact CB-CD2 4.09Å; I461-F463 HydrophobicContact CB-CE2 3.75Å; I461-F463 HydrophobicContact CB-CZ 4.4Å; I461-F463 HydrophobicContact CG2-CD2 3.91Å; I461-F463 HydrophobicContact CG2-CE2 3.85Å; I461-F463 HydrophobicContact CG2-CG 4.4Å; I461-F463 HydrophobicContact CG2-CZ 4.27Å; I461-F463 WeakPolarHBondContact O-CD2 3.46Å; I461-F463 PolarHBondContact O-N 2.84Å; I461-F463 VanDerWaalsContact O-N 3.14Å; F463-L479 HydrophobicContact CB-CB 4.2Å; F463-L479 HydrophobicContact CD1-CB 4.5Å; F463-A480 WeakPolarHBondContact CD1-O 3.37Å; F463-K481 HydrophobicContact CE1-CG 3.77Å; F463-K481 HydrophobicContact CZ-CG 4.17Å
464	K	93.8	Very high	93.6	Very high	83 Å²	83	49.9 Å²	49.9	36%	0.361	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	139.4	172.4	-67.3	-59.3	-173.9	80.1	0	109.9	L479 A480 P482 E485	K464-L479 CarbonylContact O-C 3.48Å; K464-L479 VanDerWaalsContact O-CA 3.26Å; K464-L479 WeakPolarHBondContact O-CA 3.41Å; K464-A480 PolarHBondContact N-O 2.83Å; K464-A480 PolarHBondContact O-N 2.91Å; K464-P482 HydrophobicContact CG-CB 4.27Å; K464-P482 HydrophobicContact CG-CG 4.3Å; K464-E485 IonicContact NZ-OE1 3.77Å; K464-E485 PolarHBondContact NZ-OE1 2.83Å; K464-E485 IonicContact NZ-OE2 3.84Å; K464-E485 PolarHBondContact NZ-OE2 2.86Å
465	Q	98.1	Very high	93.8	Very high	78 Å²	78	50 Å²	50	36%	0.364	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	115.4	174	-179.9	-176.3	-42.3	0	0	109.4	S448 I468 I477 L479	S448-Q465 PolarHBondContact OG-OE1 2.79Å; Q465-I468 VanDerWaalsContact NE2-CG2 3.26Å; Q465-I477 HydrophobicContact CG-CD1 4.48Å; Q465-I477 HydrophobicContact CG-CG1 4.37Å; Q465-L479 HydrophobicContact CB-CD2 3.73Å; Q465-L479 HydrophobicContact CG-CD2 4.02Å
466	V	97.6	Very high	94	Very high	33 Å²	33	50 Å²	50	20%	0.2	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	-46	176.7	178.7	0	0	0	0	109.9	V478 A480 I488 V491 F514	V466-V478 HydrophobicContact CB-CB 4.14Å; V466-V478 HydrophobicContact CB-CG1 3.87Å; V466-V478 HydrophobicContact CG1-CG1 4.33Å; V466-V478 HydrophobicContact CG2-CG1 4.17Å; V466-V478 PolarHBondContact N-O 3.14Å; V466-A480 HydrophobicContact CG2-CB 3.73Å; V466-I488 HydrophobicContact CG1-CG2 3.8Å; V466-I488 HydrophobicContact CG2-CD1 3.76Å; V466-V491 HydrophobicContact CG1-CG1 4.12Å; V466-V491 HydrophobicContact CG1-CG2 3.87Å; V466-F514 HydrophobicContact CG1-CD1 4.3Å
467	A	98.2	Very high	94.4	Very high	12 Å²	12	44.2 Å²	44.2	10%	0.099	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	157.5	179.4	0	0	0	0	0	111.5	V478 V491 V512	A467-V478 PolarHBondContact N-O 2.79Å; A467-V478 PolarHBondContact O-N 2.8Å; A467-V491 HydrophobicContact CB-CG1 4.08Å; A467-V512 HydrophobicContact CB-CB 4.43Å; A467-V512 HydrophobicContact CB-CG1 3.7Å; A467-V512 HydrophobicContact CB-CG2 3.76Å
468	I	98.4	Very high	94.9	Very high	34 Å²	34	38.1 Å²	38.1	17%	0.174	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	142	160.4	-167.9	164	0	0	0	107.7	E444 Q465 R475 I476 I477	E444-I468 HydrophobicContact CB-CD1 3.94Å; E444-I468 HydrophobicContact CG-CD1 4.21Å; Q465-I468 VanDerWaalsContact NE2-CG2 3.26Å; I468-R475 HydrophobicContact CG1-CG 4.38Å; I468-I476 CarbonylContact C-O 3.5Å; I468-I476 WeakPolarHBondContact CA-O 3.31Å; I468-I477 HydrophobicContact CB-CG1 4.35Å; I468-I477 HydrophobicContact CD1-CB 4.3Å; I468-I477 HydrophobicContact CD1-CD1 4.19Å; I468-I477 HydrophobicContact CD1-CG1 4.36Å; I468-I477 HydrophobicContact CG1-CB 4.12Å; I468-I477 HydrophobicContact CG1-CG1 4.37Å
469	H	98.3	Very high	95.4	Very high	43 Å²	43	36.7 Å²	36.7	20%	0.199	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	133.3	176.6	-158	77.9	0	0	0	110.6	R475 I476 S493 D494	H469-R475 CarbonylContact O-C 3.55Å; H469-R475 WeakPolarHBondContact O-CA 3.14Å; H469-I476 HydrophobicContact CB-CG2 4.09Å; H469-I476 PolarHBondContact N-O 3.25Å; H469-I476 PolarHBondContact O-N 3.05Å; H469-S493 PolarHBondContact ND1-OG 3.23Å; H469-D494 PolarHBondContact CD2-O 2.62Å
470	T	98	Very high	95.9	Very high	37 Å²	37	35.3 Å²	35.3	23%	0.227	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	132.1	-175.8	-55.4	0	0	0	0	112.1	E444 W472 I474 R475	E444-T470 WeakPolarHBondContact CG-OG1 3.48Å; E444-T470 WeakPolarHBondContact OE1-CB 3.47Å; E444-T470 PolarHBondContact OE1-OG1 2.9Å; T470-W472 VanDerWaalsContact CG2-O 3.25Å; T470-W472 WeakPolarHBondContact CG2-O 3.43Å; T470-I474 CarbonylContact C-O 3.54Å; T470-I474 WeakPolarHBondContact CA-O 3.41Å; T470-R475 HydrophobicContact CG2-CB 4.2Å; T470-R475 WeakPolarHBondContact OG1-CG 3.04Å; T470-R475 PolarHBondContact OG1-NE 3Å
471	L	96.1	Very high	96.3	Very high	12 Å²	12	31 Å²	31	6%	0.063	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	106.6	168.2	174.4	60.8	0	0	0	109	N473 I474 V496 K497 V510	L471-N473 PolarHBondContact O-N 3.37Å; L471-I474 PolarHBondContact N-O 2.86Å; L471-I474 WeakPolarHBondContact O-CB 3.43Å; L471-I474 PolarHBondContact O-N 2.98Å; L471-V496 WeakPolarHBondContact CD2-O 3.49Å; L471-K497 HydrophobicContact CD1-CD 4.4Å; L471-K497 HydrophobicContact CD1-CG 3.92Å; L471-K497 HydrophobicContact CD2-CG 3.94Å; L471-V510 HydrophobicContact CB-CG1 3.49Å; L471-V510 VanDerWaalsContact CB-CG1 3.49Å
472	W	94	Very high	96.4	Very high	105 Å²	105	31.1 Å²	31.1	40%	0.398	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	-104.3	-169.4	-57.2	-65.9	0	0	0	111.9	T470 K497 G505	T470-W472 VanDerWaalsContact CG2-O 3.25Å; T470-W472 WeakPolarHBondContact CG2-O 3.43Å; W472-K497 HydrophobicContact CH2-CB 4Å; W472-K497 HydrophobicContact CH2-CD 3.81Å; W472-K497 HydrophobicContact CH2-CG 3.58Å; W472-K497 HydrophobicContact CZ2-CD 4.1Å; W472-K497 HydrophobicContact CZ2-CG 4.33Å; W472-K497 HydrophobicContact CZ3-CB 4.33Å; W472-K497 HydrophobicContact CZ3-CG 3.91Å; W472-G505 VanDerWaalsContact CH2-O 3.23Å; W472-G505 WeakPolarHBondContact CH2-O 3.46Å; W472-G505 WeakPolarHBondContact CZ3-O 3.34Å
473	N	96.3	Very high	96.1	Very high	57 Å²	57	31.5 Å²	31.5	31%	0.305	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.8	22	179.8	-56	81.4	0	0	0	111.2	Q438 E439 D440 L471	Q438-N473 CarbonylContact C-O 3.53Å; Q438-N473 WeakPolarHBondContact CA-O 3.35Å; E439-N473 PolarHBondContact N-O 3.43Å; D440-N473 PolarHBondContact N-O 3.41Å; D440-N473 VanDerWaalsContact N-O 3.15Å; D440-N473 WeakPolarHBondContact O-CB 3.26Å; D440-N473 PolarHBondContact O-ND2 3.36Å; L471-N473 PolarHBondContact O-N 3.37Å
474	I	98.4	Very high	95.9	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.01	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	118.6	173	-45.8	169.6	0	0	0	106.2	T437 Q438 T470 L471 V510 H527	T437-I474 WeakPolarHBondContact O-CA 3.42Å; Q438-I474 HydrophobicContact CG-CG2 4.49Å; T470-I474 CarbonylContact C-O 3.54Å; T470-I474 WeakPolarHBondContact CA-O 3.41Å; L471-I474 PolarHBondContact N-O 2.86Å; L471-I474 WeakPolarHBondContact O-CB 3.43Å; L471-I474 PolarHBondContact O-N 2.98Å; I474-V510 HydrophobicContact CG2-CG2 4.18Å; I474-V510 WeakPolarHBondContact O-CG1 3.49Å; I474-H527 HydrophobicContact CD1-CB 3.67Å; I474-H527 HydrophobicContact CG1-CB 3.85Å
475	R	98.6	Very high	95.6	Very high	11 Å²	11	31.9 Å²	31.9	4%	0.042	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	145	-171.6	172.2	-179.6	-64.4	147.2	-2	111.6	G436 T437 D440 L442 I468 H469 T470 N525	G436-R475 CarbonylContact C-O 3.56Å; G436-R475 WeakPolarHBondContact CA-O 3.45Å; T437-R475 PolarHBondContact N-O 3.1Å; T437-R475 PolarHBondContact O-N 2.84Å; D440-R475 IonicContact OD1-NH1 2.67Å; D440-R475 PolarHBondContact OD1-NH1 2.92Å; D440-R475 IonicContact OD2-CZ 2.81Å; D440-R475 IonicContact OD2-NE 3.84Å; D440-R475 IonicContact OD2-NH1 2.75Å; D440-R475 PolarHBondContact OD2-NH1 2.97Å; L442-R475 PolarHBondContact O-NH1 2.82Å; L442-R475 PolarHBondContact O-NH2 2.89Å; I468-R475 HydrophobicContact CG1-CG 4.38Å; H469-R475 CarbonylContact O-C 3.55Å; H469-R475 WeakPolarHBondContact O-CA 3.14Å; T470-R475 HydrophobicContact CG2-CB 4.2Å; T470-R475 WeakPolarHBondContact OG1-CG 3.04Å; T470-R475 PolarHBondContact OG1-NE 3Å; R475-N525 PolarHBondContact O-ND2 3.47Å
476	I	98.9	Very high	94.9	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	135.8	168.7	-168.8	169.1	0	0	0	109.1	V434 I435 I468 H469 V510 V512 F523 N525	V434-I476 HydrophobicContact CG1-CD1 3.86Å; V434-I476 HydrophobicContact CG1-CG1 4.02Å; I435-I476 WeakPolarHBondContact O-CA 3.42Å; I468-I476 CarbonylContact C-O 3.5Å; I468-I476 WeakPolarHBondContact CA-O 3.31Å; H469-I476 HydrophobicContact CB-CG2 4.09Å; H469-I476 PolarHBondContact N-O 3.25Å; H469-I476 PolarHBondContact O-N 3.05Å; I476-V510 HydrophobicContact CB-CG2 3.77Å; I476-V510 HydrophobicContact CG2-CB 4.04Å; I476-V510 HydrophobicContact CG2-CG2 3.57Å; I476-V512 HydrophobicContact CG2-CG2 3.79Å; I476-F523 HydrophobicContact CD1-CB 3.78Å; I476-N525 HydrophobicContact CB-CB 4.22Å; I476-N525 HydrophobicContact CD1-CB 4.32Å
477	I	98.7	Very high	94.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	136.2	171.2	-175.9	178.6	0	0	0	109	I435 S448 Q465 I468 L479	I435-I477 HydrophobicContact CB-CG2 3.77Å; I435-I477 HydrophobicContact CD1-CG2 4.17Å; I435-I477 HydrophobicContact CG1-CG2 4.44Å; I435-I477 PolarHBondContact N-O 3.37Å; I435-I477 PolarHBondContact O-N 3.11Å; S448-I477 WeakPolarHBondContact OG-CD1 3.46Å; Q465-I477 HydrophobicContact CG-CD1 4.48Å; Q465-I477 HydrophobicContact CG-CG1 4.37Å; I468-I477 HydrophobicContact CB-CG1 4.35Å; I468-I477 HydrophobicContact CD1-CB 4.3Å; I468-I477 HydrophobicContact CD1-CD1 4.19Å; I468-I477 HydrophobicContact CD1-CG1 4.36Å; I468-I477 HydrophobicContact CG1-CB 4.12Å; I468-I477 HydrophobicContact CG1-CG1 4.37Å; I477-L479 HydrophobicContact CD1-CD1 4.47Å; I477-L479 HydrophobicContact CD1-CD2 3.76Å; I477-L479 HydrophobicContact CD1-CG 4.21Å; I477-L479 HydrophobicContact CG1-CD2 3.93Å; I477-L479 HydrophobicContact CG1-CG 4.2Å
478	V	98.8	Very high	94.2	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	123.1	177	-178.1	0	0	0	0	108.6	V432 V434 V466 A467 V512 F514	V432-V478 HydrophobicContact CG1-CG1 3.94Å; V434-V478 HydrophobicContact CG1-CG2 4.42Å; V434-V478 HydrophobicContact CG2-CG1 4.28Å; V434-V478 HydrophobicContact CG2-CG2 4.17Å; V466-V478 HydrophobicContact CB-CB 4.14Å; V466-V478 HydrophobicContact CB-CG1 3.87Å; V466-V478 HydrophobicContact CG1-CG1 4.33Å; V466-V478 HydrophobicContact CG2-CG1 4.17Å; V466-V478 PolarHBondContact N-O 3.14Å; A467-V478 PolarHBondContact N-O 2.79Å; A467-V478 PolarHBondContact O-N 2.8Å; V478-V512 HydrophobicContact CG2-CB 4.03Å; V478-V512 HydrophobicContact CG2-CG1 3.78Å; V478-V512 HydrophobicContact CG2-CG2 4.33Å; V478-F514 HydrophobicContact CG1-CD1 4.5Å; V478-F514 HydrophobicContact CG1-CE1 3.75Å; V478-F514 HydrophobicContact CG1-CZ 4.39Å
479	L	98.7	Very high	93.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	142.8	179.1	-57.5	-179.2	0	0	0	109.7	V432 Y433 V451 K452 L455 F463 K464 Q465 I477	V432-L479 CarbonylContact C-O 3.51Å; V432-L479 WeakPolarHBondContact CA-O 3.35Å; Y433-L479 PolarHBondContact N-O 3.3Å; Y433-L479 PolarHBondContact O-N 2.7Å; V451-L479 HydrophobicContact CB-CD1 4.48Å; V451-L479 HydrophobicContact CG1-CD1 3.62Å; K452-L479 HydrophobicContact CG-CD1 4.24Å; K452-L479 HydrophobicContact CG-CD2 4.43Å; L455-L479 HydrophobicContact CD1-CD1 3.65Å; F463-L479 HydrophobicContact CB-CB 4.2Å; F463-L479 HydrophobicContact CD1-CB 4.5Å; K464-L479 CarbonylContact O-C 3.48Å; K464-L479 VanDerWaalsContact O-CA 3.26Å; K464-L479 WeakPolarHBondContact O-CA 3.41Å; Q465-L479 HydrophobicContact CB-CD2 3.73Å; Q465-L479 HydrophobicContact CG-CD2 4.02Å; I477-L479 HydrophobicContact CD1-CD1 4.47Å; I477-L479 HydrophobicContact CD1-CD2 3.76Å; I477-L479 HydrophobicContact CD1-CG 4.21Å; I477-L479 HydrophobicContact CG1-CD2 3.93Å; I477-L479 HydrophobicContact CG1-CG 4.2Å
480	A	97.6	Very high	93.6	Very high	2 Å²	2	41.5 Å²	41.5	2%	0.017	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	155	179.3	0	0	0	0	0	112	D431 V432 F463 K464 V466 I488	D431-A480 WeakPolarHBondContact O-CA 2.95Å; V432-A480 HydrophobicContact CG2-CB 4.36Å; F463-A480 WeakPolarHBondContact CD1-O 3.37Å; K464-A480 PolarHBondContact N-O 2.83Å; K464-A480 PolarHBondContact O-N 2.91Å; V466-A480 HydrophobicContact CG2-CB 3.73Å; A480-I488 HydrophobicContact CB-CD1 3.62Å
481	K	94	Very high	93.5	Very high	14 Å²	14	42.7 Å²	42.7	6%	0.061	21%	0.213	C	C	.	.			trans	-58.3	142.1	172.3	-66.4	175.6	179.2	164.4	0	109.8	P429 H430 D431 F463 E483 H484	P429-K481 VanDerWaalsContact O-CE 3.26Å; P429-K481 WeakPolarHBondContact O-CE 3.46Å; P429-K481 PolarHBondContact O-NZ 3.17Å; H430-K481 VanDerWaalsContact O-CE 3.23Å; H430-K481 WeakPolarHBondContact O-CE 3.39Å; D431-K481 PolarHBondContact O-N 3.33Å; D431-K481 WeakPolarHBondContact OD1-CE 3.46Å; D431-K481 IonicContact OD1-NZ 2.89Å; D431-K481 PolarHBondContact OD1-NZ 3.14Å; F463-K481 HydrophobicContact CE1-CG 3.77Å; F463-K481 HydrophobicContact CZ-CG 4.17Å; K481-E483 HydrophobicContact CB-CG 4.04Å; K481-E483 PolarHBondContact O-N 2.8Å; K481-E483 VanDerWaalsContact O-N 3.07Å; K481-H484 PolarHBondContact O-N 2.85Å
482	P	86.6	Confident	93.5	Very high	44 Å²	44	45.8 Å²	45.8	29%	0.286	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-53.4	-32	178.7	-28.5	35.6	0	0	0	114.5	I461 S462 K464 H484 E485	I461-P482 HydrophobicContact CG2-CG 4.37Å; S462-P482 VanDerWaalsContact O-CG 3.32Å; S462-P482 WeakPolarHBondContact O-CG 3.34Å; K464-P482 HydrophobicContact CG-CB 4.27Å; K464-P482 HydrophobicContact CG-CG 4.3Å; P482-H484 PolarHBondContact O-N 3.43Å; P482-E485 VanDerWaalsContact O-CB 3.22Å; P482-E485 WeakPolarHBondContact O-CB 3.38Å; P482-E485 PolarHBondContact O-N 2.99Å; P482-E485 VanDerWaalsContact O-N 3.14Å
483	E	84.8	Confident	93.7	Very high	82 Å²	82	43.4 Å²	43.4	38%	0.383	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-73.4	-0.8	178	66	-161.2	-164.4	0	0	115.4	R278 K481 R487	R278-E483 IonicContact CZ-OE2 3.78Å; R278-E483 IonicContact NE-OE2 3.77Å; R278-E483 PolarHBondContact NE-OE2 2.89Å; R278-E483 VanDerWaalsContact NH2-CB 3.3Å; R278-E483 IonicContact NH2-OE2 2.75Å; R278-E483 PolarHBondContact NH2-OE2 3.42Å; K481-E483 HydrophobicContact CB-CG 4.04Å; K481-E483 PolarHBondContact O-N 2.8Å; K481-E483 VanDerWaalsContact O-N 3.07Å; E483-R487 PolarHBondContact O-NH1 2.89Å
484	H	90.4	Very high	93.8	Very high	13 Å²	13	42.8 Å²	42.8	6%	0.06	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-107	-1.4	170	-56	-39.4	0	0	0	113	K481 P482 N486 R487 I488 F516	K481-H484 PolarHBondContact O-N 2.85Å; P482-H484 PolarHBondContact O-N 3.43Å; H484-N486 PolarHBondContact O-N 2.87Å; H484-R487 WeakPolarHBondContact CE1-CD 3.31Å; H484-R487 VanDerWaalsContact CE1-CZ 3.49Å; H484-R487 PolarHBondContact CE1-NH1 3.25Å; H484-R487 PolarHBondContact ND1-NH1 2.88Å; H484-R487 WeakPolarHBondContact O-CA 3.4Å; H484-R487 WeakPolarHBondContact O-CB 3.29Å; H484-R487 PolarHBondContact O-N 3.17Å; H484-I488 HydrophobicContact CB-CD1 4.34Å; H484-I488 WeakPolarHBondContact O-CG1 3.34Å; H484-I488 PolarHBondContact O-N 3.21Å; H484-I488 VanDerWaalsContact O-N 3.17Å; H484-F516 HydrophobicContact CB-CE2 3.72Å; H484-F516 HydrophobicContact CB-CZ 4.3Å; H484-F516 AromaticContact CE1-CZ 3.67Å; H484-F516 AromaticContact CG-CE2 3.65Å; H484-F516 AromaticContact CG-CZ 3.91Å; H484-F516 AromaticContact ND1-CE2 3.93Å; H484-F516 AromaticContact ND1-CZ 3.69Å
485	E	86.3	Confident	93.7	Very high	91 Å²	91	44.3 Å²	44.3	43%	0.425	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-56	-47.3	-177.9	-172.7	166.2	-143.6	0	0	112.1	K464 P482 R487 I488	K464-E485 IonicContact NZ-OE1 3.77Å; K464-E485 PolarHBondContact NZ-OE1 2.83Å; K464-E485 IonicContact NZ-OE2 3.84Å; K464-E485 PolarHBondContact NZ-OE2 2.86Å; P482-E485 VanDerWaalsContact O-CB 3.22Å; P482-E485 WeakPolarHBondContact O-CB 3.38Å; P482-E485 PolarHBondContact O-N 2.99Å; P482-E485 VanDerWaalsContact O-N 3.14Å; E485-R487 PolarHBondContact O-N 2.97Å; E485-I488 PolarHBondContact O-N 2.81Å
486	N	84.7	Confident	93.6	Very high	156 Å²	156	44.3 Å²	44.3	83%	0.834	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-76.6	-5.5	176.4	-63.4	-9.7	0	0	0	114.2	H484	H484-N486 PolarHBondContact O-N 2.87Å
487	R	88.8	Confident	93.4	Very high	54 Å²	54	49.2 Å²	49.2	20%	0.204	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-96	-13.6	176.7	-65.2	-176.7	175.8	123.7	-16	112.3	P385 E483 H484 E485 F516 N517	P385-R487 PolarHBondContact O-NH2 2.86Å; E483-R487 PolarHBondContact O-NH1 2.89Å; H484-R487 WeakPolarHBondContact CE1-CD 3.31Å; H484-R487 VanDerWaalsContact CE1-CZ 3.49Å; H484-R487 PolarHBondContact CE1-NH1 3.25Å; H484-R487 PolarHBondContact ND1-NH1 2.88Å; H484-R487 WeakPolarHBondContact O-CA 3.4Å; H484-R487 WeakPolarHBondContact O-CB 3.29Å; H484-R487 PolarHBondContact O-N 3.17Å; E485-R487 PolarHBondContact O-N 2.97Å; R487-F516 HydrophobicContact CB-CE1 4.42Å; R487-F516 HydrophobicContact CB-CE2 4.45Å; R487-F516 HydrophobicContact CB-CZ 4.28Å; R487-F516 WeakPolarHBondContact O-CA 3.33Å; R487-N517 VanDerWaalsContact CB-OD1 3.28Å; R487-N517 WeakPolarHBondContact CB-OD1 3.44Å; R487-N517 WeakPolarHBondContact CG-OD1 3.41Å; R487-N517 PolarHBondContact O-N 2.96Å
488	I	92.4	Very high	93	Very high	25 Å²	25	49.2 Å²	49.2	13%	0.128	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	127.7	-177.9	-66.9	171.7	0	0	0	109.5	V466 A480 H484 E485 V491 F514 M515 F516	V466-I488 HydrophobicContact CG1-CG2 3.8Å; V466-I488 HydrophobicContact CG2-CD1 3.76Å; A480-I488 HydrophobicContact CB-CD1 3.62Å; H484-I488 HydrophobicContact CB-CD1 4.34Å; H484-I488 WeakPolarHBondContact O-CG1 3.34Å; H484-I488 PolarHBondContact O-N 3.21Å; H484-I488 VanDerWaalsContact O-N 3.17Å; E485-I488 PolarHBondContact O-N 2.81Å; I488-V491 HydrophobicContact CG2-CG2 3.95Å; I488-F514 HydrophobicContact CD1-CE2 4.47Å; I488-F514 HydrophobicContact CG1-CD2 4.29Å; I488-F514 HydrophobicContact CG1-CE2 4.4Å; I488-F514 HydrophobicContact CG2-CB 4.07Å; I488-F514 HydrophobicContact CG2-CD2 3.94Å; I488-F514 HydrophobicContact CG2-CG 4.12Å; I488-M515 VanDerWaalsContact CA-O 3.32Å; I488-M515 WeakPolarHBondContact CA-O 3.43Å; I488-F516 HydrophobicContact CD1-CD2 4.43Å; I488-F516 HydrophobicContact CG1-CD2 3.95Å
489	S	90.5	Very high	91.6	Very high	43 Å²	43	49.6 Å²	49.6	30%	0.301	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	176.6	178.4	66.8	0	0	0	0	111.2	V491 M515	S489-V491 VanDerWaalsContact C-N 3.29Å; S489-V491 PolarHBondContact O-N 2.95Å; S489-M515 PolarHBondContact N-O 3.3Å; S489-M515 PolarHBondContact O-N 2.84Å
490	H	92.6	Very high	89.8	Confident	124 Å²	124	55.7 Å²	55.7	57%	0.574	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	52.5	44.7	175.2	-57.7	85.3	0	0	0	113.3	F492 M515	H490-F492 HydrophobicContact CB-CE2 4.02Å; H490-F492 WeakPolarHBondContact O-CD2 3.14Å; H490-F492 WeakPolarHBondContact O-CE2 3.44Å; H490-F492 PolarHBondContact O-N 2.86Å; H490-M515 HydrophobicContact CB-CB 4.36Å; H490-M515 HydrophobicContact CB-CG 3.87Å
491	V	96.4	Very high	87.9	Confident	62 Å²	62	59.5 Å²	59.5	38%	0.376	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	120.2	179.9	-173.3	0	0	0	0	109.5	V466 A467 I488 S489 S513 F514	V466-V491 HydrophobicContact CG1-CG1 4.12Å; V466-V491 HydrophobicContact CG1-CG2 3.87Å; A467-V491 HydrophobicContact CB-CG1 4.08Å; I488-V491 HydrophobicContact CG2-CG2 3.95Å; S489-V491 VanDerWaalsContact C-N 3.29Å; S489-V491 PolarHBondContact O-N 2.95Å; V491-S513 CarbonylContact C-O 3.54Å; V491-S513 WeakPolarHBondContact CA-O 3.39Å; V491-F514 HydrophobicContact CG2-CB 4.03Å
492	F	96.6	Very high	86.1	Confident	76 Å²	76	62.1 Å²	62.1	33%	0.333	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	153	174.2	-54.2	-74.9	0	0	0	110.3	H490 V512 S513 L551	H490-F492 HydrophobicContact CB-CE2 4.02Å; H490-F492 WeakPolarHBondContact O-CD2 3.14Å; H490-F492 WeakPolarHBondContact O-CE2 3.44Å; H490-F492 PolarHBondContact O-N 2.86Å; F492-V512 CarbonylContact O-C 3.4Å; F492-V512 VanDerWaalsContact O-CA 3.29Å; F492-V512 WeakPolarHBondContact O-CA 3.18Å; F492-S513 PolarHBondContact N-O 3.29Å; F492-S513 PolarHBondContact O-N 3.5Å; F492-L551 HydrophobicContact CB-CD2 4.47Å
493	S	97.8	Very high	84.3	Confident	55 Å²	55	64.7 Å²	64.7	39%	0.385	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	141.8	175.1	64.2	0	0	0	0	111	H469 G511	H469-S493 PolarHBondContact ND1-OG 3.23Å; S493-G511 VanDerWaalsContact CA-O 3.22Å; S493-G511 WeakPolarHBondContact CA-O 3.37Å
494	D	97.8	Very high	82.8	Confident	44 Å²	44	66.5 Å²	66.5	24%	0.235	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	169.8	-179	-171.4	30.4	0	0	0	112	H469 V510 G511 L549 N550 L551	H469-D494 PolarHBondContact CD2-O 2.62Å; D494-V510 CarbonylContact O-C 3.38Å; D494-V510 WeakPolarHBondContact O-CA 3.44Å; D494-G511 PolarHBondContact N-O 2.99Å; D494-G511 VanDerWaalsContact N-O 3.09Å; D494-G511 PolarHBondContact O-N 2.67Å; D494-L549 HydrophobicContact CB-CD1 3.91Å; D494-L549 WeakPolarHBondContact O-CD1 3.27Å; D494-N550 PolarHBondContact OD2-N 2.94Å; D494-L551 HydrophobicContact CB-CD2 4.04Å
495	S	97.4	Very high	81.5	Confident	35 Å²	35	67.8 Å²	67.8	25%	0.245	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	143	177.1	70.6	0	0	0	0	114.5	A509	S495-A509 CarbonylContact C-O 3.58Å; S495-A509 WeakPolarHBondContact CA-O 3.36Å; S495-A509 VanDerWaalsContact CB-O 3.26Å; S495-A509 WeakPolarHBondContact CB-O 3.29Å
496	V	96.1	Very high	81.5	Confident	10 Å²	10	66.4 Å²	66.4	6%	0.061	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	129.9	179.4	179	0	0	0	0	110.7	L471 T498 G508 A509 I545 F548 L549	L471-V496 WeakPolarHBondContact CD2-O 3.49Å; V496-T498 HydrophobicContact CG1-CG2 3.95Å; V496-G508 CarbonylContact O-C 3.55Å; V496-G508 WeakPolarHBondContact O-CA 2.99Å; V496-A509 PolarHBondContact N-O 2.64Å; V496-A509 PolarHBondContact O-N 2.61Å; V496-I545 HydrophobicContact CB-CG1 4.29Å; V496-I545 HydrophobicContact CG1-CG1 4.34Å; V496-F548 HydrophobicContact CG1-CB 4.13Å; V496-F548 VanDerWaalsContact CG2-C 3.49Å; V496-F548 HydrophobicContact CG2-CB 3.86Å; V496-L549 HydrophobicContact CG2-CB 3.69Å; V496-L549 HydrophobicContact CG2-CD1 3.93Å; V496-L549 HydrophobicContact CG2-CG 4.44Å
497	K	94.9	Very high	82	Confident	104 Å²	104	59.8 Å²	59.8	45%	0.452	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	130.7	175.2	-63.8	171.5	-176.7	164.6	0	109.9	L471 W472 N502	L471-K497 HydrophobicContact CD1-CD 4.4Å; L471-K497 HydrophobicContact CD1-CG 3.92Å; L471-K497 HydrophobicContact CD2-CG 3.94Å; W472-K497 HydrophobicContact CH2-CB 4Å; W472-K497 HydrophobicContact CH2-CD 3.81Å; W472-K497 HydrophobicContact CH2-CG 3.58Å; W472-K497 HydrophobicContact CZ2-CD 4.1Å; W472-K497 HydrophobicContact CZ2-CG 4.33Å; W472-K497 HydrophobicContact CZ3-CB 4.33Å; W472-K497 HydrophobicContact CZ3-CG 3.91Å; K497-N502 WeakPolarHBondContact CB-O 3.39Å
498	T	89.4	Confident	82.3	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	33%	0.329	C	S	.	.			trans	-132.8	14.7	-175.9	67.5	0	0	0	0	114.2	V496 K507 G508 R537 N541 I545	V496-T498 HydrophobicContact CG1-CG2 3.95Å; T498-K507 PolarHBondContact N-O 3.01Å; T498-K507 PolarHBondContact OG1-O 3Å; T498-G508 WeakPolarHBondContact OG1-CA 3.35Å; T498-G508 PolarHBondContact OG1-N 3.42Å; T498-R537 PolarHBondContact O-NH2 3.49Å; T498-R537 VanDerWaalsContact O-NH2 3.09Å; T498-N541 WeakPolarHBondContact CB-ND2 3.36Å; T498-N541 HydrophobicContact CG2-CB 4.43Å; T498-N541 PolarHBondContact O-ND2 3.5Å; T498-I545 HydrophobicContact CG2-CD1 4.24Å; T498-I545 HydrophobicContact CG2-CG1 3.79Å
499	G	69.7	Low	82.6	Confident	7 Å²	7	56 Å²	56	7%	0.072	32%	0.323	C	S	.	.	S	Bend	trans	-62.3	-163.4	175.2	0	0	0	0	0	114.8	A501 N502 L504 K507 R537	G499-A501 PolarHBondContact O-N 3.49Å; G499-N502 PolarHBondContact O-N 3.14Å; G499-N502 VanDerWaalsContact O-N 3.11Å; G499-L504 CarbonylContact C-O 3.59Å; G499-K507 PolarHBondContact N-O 3.06Å; G499-R537 PolarHBondContact O-NH2 3Å
500	I	60.7	Low	83	Confident	129 Å²	129	54 Å²	54	66%	0.662	31%	0.309	S	S	*	.	B	Isolated β-bridge	trans	-65.2	134.6	175.2	-56.7	175.9	0	0	0	108	N502 T503 L504	I500-N502 PolarHBondContact O-N 2.65Å; I500-T503 PolarHBondContact O-N 2.62Å; I500-L504 HydrophobicContact CB-CB 4.45Å; I500-L504 PolarHBondContact N-O 2.9Å; I500-L504 WeakPolarHBondContact O-CB 3.4Å; I500-L504 PolarHBondContact O-N 2.86Å
501	A	58.7	Low	83.3	Confident	81 Å²	81	48.1 Å²	48.1	67%	0.669	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	30.9	-171.3	0	0	0	0	0	113.7	G499 T503	G499-A501 PolarHBondContact O-N 3.49Å; A501-T503 PolarHBondContact O-N 3.37Å; A501-T503 PolarHBondContact O-OG1 2.91Å
502	N	54.7	Low	83.4	Confident	69 Å²	69	45.1 Å²	45.1	37%	0.369	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.1	10.4	-177.5	-59.8	-8.2	0	0	0	115.8	K497 G499 I500 R537	K497-N502 WeakPolarHBondContact CB-O 3.39Å; G499-N502 PolarHBondContact O-N 3.14Å; G499-N502 VanDerWaalsContact O-N 3.11Å; I500-N502 PolarHBondContact O-N 2.65Å; N502-R537 PolarHBondContact OD1-NH2 2.69Å
503	T	50.7	Low	83.5	Confident	98 Å²	98	41.6 Å²	41.6	60%	0.601	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-133.1	-25.3	-172.8	48.1	0	0	0	0	113	I500 A501	I500-T503 PolarHBondContact O-N 2.62Å; A501-T503 PolarHBondContact O-N 3.37Å; A501-T503 PolarHBondContact O-OG1 2.91Å
504	L	51.8	Low	83.5	Confident	120 Å²	120	39.2 Å²	39.2	63%	0.628	23%	0.231	S	C	*	.	B	Isolated β-bridge	trans	-112.5	113.3	-170.9	-167.1	71.4	0	0	0	112.3	G499 I500	G499-L504 CarbonylContact C-O 3.59Å; I500-L504 HydrophobicContact CB-CB 4.45Å; I500-L504 PolarHBondContact N-O 2.9Å; I500-L504 WeakPolarHBondContact O-CB 3.4Å; I500-L504 PolarHBondContact O-N 2.86Å
505	G	64.4	Low	83.4	Confident	41 Å²	41	39.5 Å²	39.5	42%	0.423	23%	0.232	S	C	.	.	S	Bend	trans	110.8	156.6	172.5	0	0	0	0	0	114.9	W472 K507	W472-G505 VanDerWaalsContact CH2-O 3.23Å; W472-G505 WeakPolarHBondContact CH2-O 3.46Å; W472-G505 WeakPolarHBondContact CZ3-O 3.34Å; G505-K507 PolarHBondContact O-N 3.21Å
506	N	85.1	Confident	83.3	Confident	61 Å²	61	37.9 Å²	37.9	33%	0.326	22%	0.22	S	C	.	.	S	Bend	trans	-74.5	50.2	-166	72.3	-17.3	0	0	0	115.5
507	K	94.7	Very high	83	Confident	18 Å²	18	37.8 Å²	37.8	8%	0.078	22%	0.219	C	C	.	.			trans	-135.2	135.6	-175.5	-62.3	-69.2	167.5	-83.4	0	111.4	T498 G499 G505 H527 L528	T498-K507 PolarHBondContact N-O 3.01Å; T498-K507 PolarHBondContact OG1-O 3Å; G499-K507 PolarHBondContact N-O 3.06Å; G505-K507 PolarHBondContact O-N 3.21Å; K507-H527 VanDerWaalsContact CD-O 3.29Å; K507-H527 WeakPolarHBondContact CD-O 3.47Å; K507-H527 WeakPolarHBondContact CE-CD2 3.34Å; K507-H527 WeakPolarHBondContact CE-NE2 3.32Å; K507-H527 PolarHBondContact NZ-CD2 3.18Å; K507-H527 PolarHBondContact NZ-CE1 2.93Å; K507-H527 PolarHBondContact NZ-ND1 2.68Å; K507-H527 PolarHBondContact NZ-NE2 2.87Å; K507-L528 WeakPolarHBondContact CD-O 3.44Å
508	G	96.8	Very high	82.6	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.8	-163.2	-167.8	0	0	0	0	0	113	V496 T498 S526 H527	V496-G508 CarbonylContact O-C 3.55Å; V496-G508 WeakPolarHBondContact O-CA 2.99Å; T498-G508 WeakPolarHBondContact OG1-CA 3.35Å; T498-G508 PolarHBondContact OG1-N 3.42Å; G508-S526 WeakPolarHBondContact O-CA 3.43Å; G508-H527 PolarHBondContact N-O 3.28Å; G508-H527 VanDerWaalsContact N-O 3.15Å; G508-H527 PolarHBondContact O-N 2.79Å
509	A	98.6	Very high	82.9	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	157.2	169.6	0	0	0	0	0	111.7	S495 V496 V524 N525 I545	S495-A509 CarbonylContact C-O 3.58Å; S495-A509 WeakPolarHBondContact CA-O 3.36Å; S495-A509 VanDerWaalsContact CB-O 3.26Å; S495-A509 WeakPolarHBondContact CB-O 3.29Å; V496-A509 PolarHBondContact N-O 2.64Å; V496-A509 PolarHBondContact O-N 2.61Å; A509-V524 HydrophobicContact CB-CG1 4.02Å; A509-N525 CarbonylContact C-O 3.58Å; A509-N525 WeakPolarHBondContact CA-O 3.41Å; A509-N525 WeakPolarHBondContact CB-O 3.5Å; A509-I545 HydrophobicContact CB-CB 4.42Å; A509-I545 HydrophobicContact CB-CD1 3.72Å; A509-I545 HydrophobicContact CB-CG1 3.79Å; A509-I545 HydrophobicContact CB-CG2 3.69Å
510	V	98.8	Very high	84.2	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	150.3	163	-65.5	0	0	0	0	108	L471 I474 I476 D494 N525	L471-V510 HydrophobicContact CB-CG1 3.49Å; L471-V510 VanDerWaalsContact CB-CG1 3.49Å; I474-V510 HydrophobicContact CG2-CG2 4.18Å; I474-V510 WeakPolarHBondContact O-CG1 3.49Å; I476-V510 HydrophobicContact CB-CG2 3.77Å; I476-V510 HydrophobicContact CG2-CB 4.04Å; I476-V510 HydrophobicContact CG2-CG2 3.57Å; D494-V510 CarbonylContact O-C 3.38Å; D494-V510 WeakPolarHBondContact O-CA 3.44Å; V510-N525 HydrophobicContact CG2-CB 3.98Å; V510-N525 PolarHBondContact N-O 3.08Å; V510-N525 PolarHBondContact O-N 3.39Å; V510-N525 VanDerWaalsContact O-O 3.12Å
511	G	98.6	Very high	86	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	161.2	174.4	0	0	0	0	0	113.5	S493 D494 F523	S493-G511 VanDerWaalsContact CA-O 3.22Å; S493-G511 WeakPolarHBondContact CA-O 3.37Å; D494-G511 PolarHBondContact N-O 2.99Å; D494-G511 VanDerWaalsContact N-O 3.09Å; D494-G511 PolarHBondContact O-N 2.67Å; G511-F523 CarbonylContact C-O 3.57Å; G511-F523 WeakPolarHBondContact CA-O 3.48Å
512	V	98.8	Very high	87.9	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	138.9	178.1	170	0	0	0	0	108.2	A467 I476 V478 F492 F514 F523	A467-V512 HydrophobicContact CB-CB 4.43Å; A467-V512 HydrophobicContact CB-CG1 3.7Å; A467-V512 HydrophobicContact CB-CG2 3.76Å; I476-V512 HydrophobicContact CG2-CG2 3.79Å; V478-V512 HydrophobicContact CG2-CB 4.03Å; V478-V512 HydrophobicContact CG2-CG1 3.78Å; V478-V512 HydrophobicContact CG2-CG2 4.33Å; F492-V512 CarbonylContact O-C 3.4Å; F492-V512 VanDerWaalsContact O-CA 3.29Å; F492-V512 WeakPolarHBondContact O-CA 3.18Å; V512-F514 HydrophobicContact CG1-CD1 4.37Å; V512-F523 PolarHBondContact N-O 2.94Å; V512-F523 PolarHBondContact O-N 3.42Å
513	S	98.5	Very high	90	Very high	1 Å²	1	22 Å²	22	1%	0.007	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	150.4	169.5	61.2	0	0	0	0	111.3	V491 F492 F521 G552	V491-S513 CarbonylContact C-O 3.54Å; V491-S513 WeakPolarHBondContact CA-O 3.39Å; F492-S513 PolarHBondContact N-O 3.29Å; F492-S513 PolarHBondContact O-N 3.5Å; S513-F521 CarbonylContact C-O 3.58Å; S513-F521 WeakPolarHBondContact CA-O 3.2Å; S513-F521 WeakPolarHBondContact CB-O 3.5Å; S513-G552 PolarHBondContact OG-N 2.89Å; S513-G552 VanDerWaalsContact OG-N 3.11Å
514	F	97.7	Very high	92.3	Very high	5 Å²	5	17.4 Å²	17.4	2%	0.022	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	159.9	173	58.3	-91.4	0	0	0	111.5	V432 V466 V478 I488 V491 V512 F516 F521 F523	V432-F514 HydrophobicContact CG1-CZ 4.25Å; V466-F514 HydrophobicContact CG1-CD1 4.3Å; V478-F514 HydrophobicContact CG1-CD1 4.5Å; V478-F514 HydrophobicContact CG1-CE1 3.75Å; V478-F514 HydrophobicContact CG1-CZ 4.39Å; I488-F514 HydrophobicContact CD1-CE2 4.47Å; I488-F514 HydrophobicContact CG1-CD2 4.29Å; I488-F514 HydrophobicContact CG1-CE2 4.4Å; I488-F514 HydrophobicContact CG2-CB 4.07Å; I488-F514 HydrophobicContact CG2-CD2 3.94Å; I488-F514 HydrophobicContact CG2-CG 4.12Å; V491-F514 HydrophobicContact CG2-CB 4.03Å; V512-F514 HydrophobicContact CG1-CD1 4.37Å; F514-F516 HydrophobicContact CD2-CB 4.43Å; F514-F516 HydrophobicContact CE2-CB 4.19Å; F514-F521 HydrophobicContact CE1-CB 4.44Å; F514-F521 HydrophobicContact CE2-CB 4.22Å; F514-F521 HydrophobicContact CE2-CD2 4.16Å; F514-F521 HydrophobicContact CE2-CG 4.35Å; F514-F521 HydrophobicContact CZ-CB 4.18Å; F514-F521 HydrophobicContact CZ-CG 4.46Å; F514-F521 PolarHBondContact N-O 3.01Å; F514-F521 PolarHBondContact O-N 3.48Å; F514-F523 HydrophobicContact CD1-CE2 4.44Å; F514-F523 HydrophobicContact CE1-CD2 4.03Å; F514-F523 AromaticContact CE1-CE2 3.49Å; F514-F523 HydrophobicContact CE1-CE2 3.49Å; F514-F523 VanDerWaalsContact CE1-CE2 3.49Å; F514-F523 AromaticContact CZ-CE2 3.8Å; F514-F523 HydrophobicContact CZ-CE2 3.8Å
515	M	94.5	Very high	94.5	Very high	51 Å²	51	11.7 Å²	11.7	25%	0.251	8%	0.08	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	129.1	164.2	-68.8	-62.4	-60.6	0	0	109.1	I488 S489 H490 N517 G518 T519 S520	I488-M515 VanDerWaalsContact CA-O 3.32Å; I488-M515 WeakPolarHBondContact CA-O 3.43Å; S489-M515 PolarHBondContact N-O 3.3Å; S489-M515 PolarHBondContact O-N 2.84Å; H490-M515 HydrophobicContact CB-CB 4.36Å; H490-M515 HydrophobicContact CB-CG 3.87Å; M515-N517 WeakPolarHBondContact CE-O 3.17Å; M515-G518 VanDerWaalsContact CE-C 3.47Å; M515-T519 CarbonylContact C-O 3.56Å; M515-T519 WeakPolarHBondContact CA-O 3.16Å; M515-S520 WeakPolarHBondContact SD-CB 3.11Å
516	F	95.1	Very high	96.1	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	107.4	161.1	-172.4	-72.3	0	0	0	107.2	P387 I390 H484 R487 I488 F514 G518 T519 F521 V698	P387-F516 HydrophobicContact CG-CE1 4.02Å; P387-F516 HydrophobicContact CG-CZ 4.21Å; I390-F516 HydrophobicContact CD1-CD1 4.33Å; I390-F516 HydrophobicContact CD1-CD2 3.87Å; I390-F516 HydrophobicContact CD1-CE1 4.38Å; I390-F516 HydrophobicContact CD1-CE2 3.88Å; I390-F516 HydrophobicContact CD1-CG 4.1Å; I390-F516 HydrophobicContact CD1-CZ 4.16Å; I390-F516 HydrophobicContact CG2-CE1 3.99Å; I390-F516 HydrophobicContact CG2-CE2 4.33Å; I390-F516 HydrophobicContact CG2-CZ 3.7Å; H484-F516 HydrophobicContact CB-CE2 3.72Å; H484-F516 HydrophobicContact CB-CZ 4.3Å; H484-F516 AromaticContact CE1-CZ 3.67Å; H484-F516 AromaticContact CG-CE2 3.65Å; H484-F516 AromaticContact CG-CZ 3.91Å; H484-F516 AromaticContact ND1-CE2 3.93Å; H484-F516 AromaticContact ND1-CZ 3.69Å; R487-F516 HydrophobicContact CB-CE1 4.42Å; R487-F516 HydrophobicContact CB-CE2 4.45Å; R487-F516 HydrophobicContact CB-CZ 4.28Å; R487-F516 WeakPolarHBondContact O-CA 3.33Å; I488-F516 HydrophobicContact CD1-CD2 4.43Å; I488-F516 HydrophobicContact CG1-CD2 3.95Å; F514-F516 HydrophobicContact CD2-CB 4.43Å; F514-F516 HydrophobicContact CE2-CB 4.19Å; F516-G518 PolarHBondContact O-N 3.46Å; F516-T519 PolarHBondContact N-O 3.1Å; F516-T519 WeakPolarHBondContact O-CB 3.32Å; F516-T519 PolarHBondContact O-N 2.99Å; F516-T519 PolarHBondContact O-OG1 2.99Å; F516-F521 HydrophobicContact CB-CD2 4.02Å; F516-F521 HydrophobicContact CB-CE2 3.86Å; F516-V698 HydrophobicContact CD1-CB 4.25Å; F516-V698 HydrophobicContact CD1-CG1 4.09Å; F516-V698 HydrophobicContact CD1-CG2 4.32Å; F516-V698 HydrophobicContact CE1-CG2 4.15Å
517	N	91.1	Very high	96.8	Very high	8 Å²	8	7 Å²	7	4%	0.043	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.6	-122.4	-168.1	-73.2	-4.3	0	0	0	111.4	E386 R487 M515 T519 A699 Q701	E386-N517 PolarHBondContact OE1-ND2 3.3Å; E386-N517 PolarHBondContact OE2-ND2 2.69Å; R487-N517 VanDerWaalsContact CB-OD1 3.28Å; R487-N517 WeakPolarHBondContact CB-OD1 3.44Å; R487-N517 WeakPolarHBondContact CG-OD1 3.41Å; R487-N517 PolarHBondContact O-N 2.96Å; M515-N517 WeakPolarHBondContact CE-O 3.17Å; N517-T519 VanDerWaalsContact C-N 3.28Å; N517-T519 PolarHBondContact O-N 3.04Å; N517-A699 WeakPolarHBondContact CB-O 3.41Å; N517-Q701 HydrophobicContact CB-CG 3.67Å; N517-Q701 PolarHBondContact OD1-NE2 2.92Å
518	G	86.4	Confident	96.9	Very high	36 Å²	36	6.1 Å²	6.1	37%	0.371	4%	0.041	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	6.1	177.7	0	0	0	0	0	115.3	M515 F516 A699	M515-G518 VanDerWaalsContact CE-C 3.47Å; F516-G518 PolarHBondContact O-N 3.46Å; G518-A699 PolarHBondContact N-O 3.33Å
519	T	95.3	Very high	96.9	Very high	5 Å²	5	7 Å²	7	3%	0.031	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	126.8	-168.1	-37.5	0	0	0	0	111.5	M515 F516 N517 F521 T566 V698 A699	M515-T519 CarbonylContact C-O 3.56Å; M515-T519 WeakPolarHBondContact CA-O 3.16Å; F516-T519 PolarHBondContact N-O 3.1Å; F516-T519 WeakPolarHBondContact O-CB 3.32Å; F516-T519 PolarHBondContact O-N 2.99Å; F516-T519 PolarHBondContact O-OG1 2.99Å; N517-T519 VanDerWaalsContact C-N 3.28Å; N517-T519 PolarHBondContact O-N 3.04Å; T519-F521 HydrophobicContact CG2-CD2 4.43Å; T519-F521 HydrophobicContact CG2-CE2 3.76Å; T519-F521 HydrophobicContact CG2-CZ 4.18Å; T519-T566 HydrophobicContact CG2-CG2 3.93Å; T519-V698 HydrophobicContact CG2-CG1 4.14Å; T519-V698 VanDerWaalsContact OG1-CA 3.24Å; T519-V698 WeakPolarHBondContact OG1-CA 3.4Å; T519-V698 WeakPolarHBondContact OG1-CB 3.2Å; T519-A699 PolarHBondContact OG1-N 2.97Å
520	S	96.7	Very high	96.6	Very high	18 Å²	18	9.6 Å²	9.6	13%	0.126	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	125.8	-179.9	59	0	0	0	0	112.3	M515 R564 F565 T566 H567	M515-S520 WeakPolarHBondContact SD-CB 3.11Å; S520-R564 PolarHBondContact OG-O 3.46Å; S520-F565 WeakPolarHBondContact OG-CA 3.38Å; S520-T566 PolarHBondContact N-OG1 2.86Å; S520-T566 WeakPolarHBondContact O-CB 3.46Å; S520-T566 PolarHBondContact O-N 3.24Å; S520-T566 PolarHBondContact OG-N 3.14Å; S520-T566 PolarHBondContact OG-OG1 2.93Å; S520-H567 PolarHBondContact O-N 2.87Å
521	F	98.6	Very high	96.2	Very high	1 Å²	1	9.7 Å²	9.7	0%	0.004	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	137.6	177.7	-73.5	-91.3	0	0	0	111.1	I390 V392 S513 F514 F516 T519 F523 H567 V696 V698	I390-F521 HydrophobicContact CD1-CZ 4.25Å; V392-F521 HydrophobicContact CG2-CE1 4.4Å; S513-F521 CarbonylContact C-O 3.58Å; S513-F521 WeakPolarHBondContact CA-O 3.2Å; S513-F521 WeakPolarHBondContact CB-O 3.5Å; F514-F521 HydrophobicContact CE1-CB 4.44Å; F514-F521 HydrophobicContact CE2-CB 4.22Å; F514-F521 HydrophobicContact CE2-CD2 4.16Å; F514-F521 HydrophobicContact CE2-CG 4.35Å; F514-F521 HydrophobicContact CZ-CB 4.18Å; F514-F521 HydrophobicContact CZ-CG 4.46Å; F514-F521 PolarHBondContact N-O 3.01Å; F514-F521 PolarHBondContact O-N 3.48Å; F516-F521 HydrophobicContact CB-CD2 4.02Å; F516-F521 HydrophobicContact CB-CE2 3.86Å; T519-F521 HydrophobicContact CG2-CD2 4.43Å; T519-F521 HydrophobicContact CG2-CE2 3.76Å; T519-F521 HydrophobicContact CG2-CZ 4.18Å; F521-F523 HydrophobicContact CB-CE2 3.71Å; F521-F523 HydrophobicContact CB-CZ 4.23Å; F521-F523 HydrophobicContact CD1-CE2 4.28Å; F521-F523 AromaticContact CD1-CZ 3.94Å; F521-F523 HydrophobicContact CD1-CZ 3.94Å; F521-F523 HydrophobicContact CG-CE2 4.35Å; F521-F523 HydrophobicContact CG-CZ 4.44Å; F521-H567 WeakPolarHBondContact CA-O 3.25Å; F521-H567 HydrophobicContact CD1-CB 3.86Å; F521-H567 HydrophobicContact CE1-CB 3.91Å; F521-H567 AromaticContact CE1-CD2 3.54Å; F521-H567 AromaticContact CE1-CG 3.98Å; F521-H567 AromaticContact CZ-CD2 3.68Å; F521-V696 HydrophobicContact CE1-CG2 3.99Å; F521-V696 HydrophobicContact CZ-CB 4.49Å; F521-V696 HydrophobicContact CZ-CG2 3.81Å; F521-V698 HydrophobicContact CE2-CG1 4Å; F521-V698 HydrophobicContact CZ-CG1 3.99Å
522	G	98.6	Very high	95.8	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	137.1	169.9	0	0	0	0	0	111	H567 L568 I569	G522-H567 PolarHBondContact N-O 2.61Å; G522-L568 CarbonylContact O-C 3.56Å; G522-L568 WeakPolarHBondContact O-CA 3.42Å; G522-I569 PolarHBondContact O-N 3.22Å
523	F	98.9	Very high	95.4	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	130.5	179.5	-60.2	-84.7	0	0	0	110.2	V392 V394 V434 I476 G511 V512 F514 F521 I569	V392-F523 HydrophobicContact CG1-CE1 4.01Å; V392-F523 HydrophobicContact CG1-CZ 4.02Å; V394-F523 HydrophobicContact CG2-CE1 4.36Å; V434-F523 HydrophobicContact CB-CD1 4.2Å; V434-F523 HydrophobicContact CB-CE1 4.37Å; V434-F523 HydrophobicContact CG1-CB 4.14Å; V434-F523 HydrophobicContact CG1-CD1 3.91Å; V434-F523 HydrophobicContact CG1-CG 4.06Å; V434-F523 HydrophobicContact CG2-CD1 3.76Å; V434-F523 HydrophobicContact CG2-CD2 4.2Å; V434-F523 HydrophobicContact CG2-CE1 3.64Å; V434-F523 HydrophobicContact CG2-CE2 4.1Å; V434-F523 HydrophobicContact CG2-CG 4.04Å; V434-F523 HydrophobicContact CG2-CZ 3.82Å; I476-F523 HydrophobicContact CD1-CB 3.78Å; G511-F523 CarbonylContact C-O 3.57Å; G511-F523 WeakPolarHBondContact CA-O 3.48Å; V512-F523 PolarHBondContact N-O 2.94Å; V512-F523 PolarHBondContact O-N 3.42Å; F514-F523 HydrophobicContact CD1-CE2 4.44Å; F514-F523 HydrophobicContact CE1-CD2 4.03Å; F514-F523 AromaticContact CE1-CE2 3.49Å; F514-F523 HydrophobicContact CE1-CE2 3.49Å; F514-F523 VanDerWaalsContact CE1-CE2 3.49Å; F514-F523 AromaticContact CZ-CE2 3.8Å; F514-F523 HydrophobicContact CZ-CE2 3.8Å; F521-F523 HydrophobicContact CB-CE2 3.71Å; F521-F523 HydrophobicContact CB-CZ 4.23Å; F521-F523 HydrophobicContact CD1-CE2 4.28Å; F521-F523 AromaticContact CD1-CZ 3.94Å; F521-F523 HydrophobicContact CD1-CZ 3.94Å; F521-F523 HydrophobicContact CG-CE2 4.35Å; F521-F523 HydrophobicContact CG-CZ 4.44Å; F523-I569 CarbonylContact C-O 3.57Å; F523-I569 VanDerWaalsContact CA-O 3.31Å; F523-I569 WeakPolarHBondContact CA-O 3.39Å; F523-I569 HydrophobicContact CD1-CB 3.96Å; F523-I569 HydrophobicContact CE1-CB 4.17Å; F523-I569 HydrophobicContact CE1-CD1 3.87Å; F523-I569 HydrophobicContact CE1-CG1 4.47Å
524	V	98.9	Very high	95.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	117.6	-179.3	-177.2	0	0	0	0	109.5	A509 I545 L549 I561 L568 I569 W570 L571	A509-V524 HydrophobicContact CB-CG1 4.02Å; V524-I545 HydrophobicContact CG1-CG2 4.1Å; V524-L549 HydrophobicContact CB-CD2 4.37Å; V524-L549 HydrophobicContact CG1-CD2 3.87Å; V524-L549 HydrophobicContact CG2-CD2 3.63Å; V524-I561 HydrophobicContact CG2-CD1 4.05Å; V524-L568 HydrophobicContact CG2-CD1 4.02Å; V524-I569 PolarHBondContact N-O 3.43Å; V524-W570 HydrophobicContact CB-CD2 3.94Å; V524-W570 HydrophobicContact CB-CE3 4.3Å; V524-W570 HydrophobicContact CB-CG 4.03Å; V524-W570 HydrophobicContact CG1-CD2 3.86Å; V524-W570 HydrophobicContact CG1-CE3 4.32Å; V524-W570 HydrophobicContact CG1-CG 4.26Å; V524-W570 HydrophobicContact CG1-CZ2 4.11Å; V524-W570 HydrophobicContact CG2-CE3 4.44Å; V524-W570 WeakPolarHBondContact O-CA 3.35Å; V524-L571 VanDerWaalsContact O-CD2 3.29Å; V524-L571 WeakPolarHBondContact O-CD2 3.22Å; V524-L571 PolarHBondContact O-N 2.84Å; V524-L571 VanDerWaalsContact O-O 3.13Å
525	N	98.9	Very high	95.1	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	122.4	168.5	173.8	23.8	0	0	0	109.7	G436 T437 Q438 R475 I476 A509 V510 L571 G572	G436-N525 WeakPolarHBondContact CA-ND2 3.47Å; T437-N525 PolarHBondContact N-ND2 2.97Å; T437-N525 PolarHBondContact O-ND2 3.25Å; Q438-N525 PolarHBondContact NE2-OD1 3.39Å; R475-N525 PolarHBondContact O-ND2 3.47Å; I476-N525 HydrophobicContact CB-CB 4.22Å; I476-N525 HydrophobicContact CD1-CB 4.32Å; A509-N525 CarbonylContact C-O 3.58Å; A509-N525 WeakPolarHBondContact CA-O 3.41Å; A509-N525 WeakPolarHBondContact CB-O 3.5Å; V510-N525 HydrophobicContact CG2-CB 3.98Å; V510-N525 PolarHBondContact N-O 3.08Å; V510-N525 PolarHBondContact O-N 3.39Å; V510-N525 VanDerWaalsContact O-O 3.12Å; N525-L571 WeakPolarHBondContact CA-O 3.37Å; N525-L571 HydrophobicContact CB-CD1 4.35Å; N525-L571 HydrophobicContact CB-CG 4.19Å; N525-G572 WeakPolarHBondContact OD1-CA 3.33Å
526	S	98.8	Very high	95.2	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	145.5	-179.9	68.5	0	0	0	0	114.1	G508 W570 L571 G572 D573 L574	G508-S526 WeakPolarHBondContact O-CA 3.43Å; S526-W570 PolarHBondContact OG-NE1 3.49Å; S526-L571 PolarHBondContact N-O 2.91Å; S526-G572 CarbonylContact O-C 3.59Å; S526-G572 VanDerWaalsContact O-CA 3.3Å; S526-G572 WeakPolarHBondContact O-CA 3.18Å; S526-D573 PolarHBondContact O-N 2.99Å; S526-L574 WeakPolarHBondContact OG-CD2 3.31Å
527	H	98.6	Very high	95.2	Very high	3 Å²	3	30.5 Å²	30.5	1%	0.014	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	102	166.3	-170.4	163.5	0	0	0	108	Q438 E439 I474 K507 G508 D573 N575	Q438-H527 HydrophobicContact CB-CB 4.19Å; Q438-H527 HydrophobicContact CG-CB 3.99Å; E439-H527 IonicContact OE1-CE1 2.68Å; E439-H527 PolarHBondContact OE1-CE1 2.63Å; I474-H527 HydrophobicContact CD1-CB 3.67Å; I474-H527 HydrophobicContact CG1-CB 3.85Å; K507-H527 VanDerWaalsContact CD-O 3.29Å; K507-H527 WeakPolarHBondContact CD-O 3.47Å; K507-H527 WeakPolarHBondContact CE-CD2 3.34Å; K507-H527 WeakPolarHBondContact CE-NE2 3.32Å; K507-H527 PolarHBondContact NZ-CD2 3.18Å; K507-H527 PolarHBondContact NZ-CE1 2.93Å; K507-H527 PolarHBondContact NZ-ND1 2.68Å; K507-H527 PolarHBondContact NZ-NE2 2.87Å; G508-H527 PolarHBondContact N-O 3.28Å; G508-H527 VanDerWaalsContact N-O 3.15Å; G508-H527 PolarHBondContact O-N 2.79Å; H527-D573 WeakPolarHBondContact CA-O 3.36Å; H527-D573 IonicContact CD2-OD2 2.73Å; H527-D573 IonicContact NE2-OD2 2.64Å; H527-N575 PolarHBondContact NE2-ND2 2.71Å
528	L	97.9	Very high	95.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-89.5	163.9	-175.3	-50.6	-174.8	0	0	0	112.4	K507 S530 R538 N541 I545 D573 L574 N575 Y576	K507-L528 WeakPolarHBondContact CD-O 3.44Å; L528-S530 PolarHBondContact O-N 3.01Å; L528-R538 HydrophobicContact CB-CB 4.43Å; L528-R538 HydrophobicContact CB-CG 4.03Å; L528-R538 HydrophobicContact CD1-CB 4.39Å; L528-N541 HydrophobicContact CD2-CB 3.84Å; L528-I545 HydrophobicContact CD2-CD1 3.6Å; L528-D573 PolarHBondContact N-O 3.34Å; L528-L574 HydrophobicContact CD1-CB 4.09Å; L528-L574 HydrophobicContact CD1-CD2 4.04Å; L528-L574 HydrophobicContact CG-CD2 4.26Å; L528-N575 PolarHBondContact O-ND2 2.87Å; L528-Y576 HydrophobicContact CD1-CE2 4.08Å
529	T	96.2	Very high	96	Very high	19 Å²	19	29 Å²	29	12%	0.117	15%	0.149	C	C	.	.	P	Polyproline II helix	trans	-56.8	127.2	-175.2	-66.9	0	0	0	0	112.7	K534 R537 R538 N541	T529-K534 HydrophobicContact CG2-CB 3.92Å; T529-K534 HydrophobicContact CG2-CD 3.55Å; T529-K534 HydrophobicContact CG2-CG 4.35Å; T529-R537 HydrophobicContact CG2-CB 4.23Å; T529-R537 HydrophobicContact CG2-CG 3.85Å; T529-R537 WeakPolarHBondContact OG1-CG 3.41Å; T529-R538 WeakPolarHBondContact O-CD 3.32Å; T529-R538 WeakPolarHBondContact O-CG 3.43Å; T529-R538 PolarHBondContact O-NH1 2.85Å; T529-N541 VanDerWaalsContact CB-OD1 3.29Å; T529-N541 WeakPolarHBondContact CB-OD1 3.43Å; T529-N541 PolarHBondContact N-OD1 2.57Å; T529-N541 PolarHBondContact OG1-OD1 3.03Å
530	S	92.8	Very high	95.9	Very high	54 Å²	54	32.8 Å²	32.8	38%	0.378	17%	0.167	S	C	.	.	P	Polyproline II helix	trans	-88.1	154.8	-176	62.4	0	0	0	0	114.8	L528 K534 N575	L528-S530 PolarHBondContact O-N 3.01Å; S530-K534 WeakPolarHBondContact O-CD 3.42Å; S530-N575 WeakPolarHBondContact CA-OD1 3.14Å; S530-N575 VanDerWaalsContact CB-CG 3.46Å; S530-N575 WeakPolarHBondContact CB-OD1 3.3Å
531	G	89.9	Confident	95.9	Very high	3 Å²	3	32 Å²	32	3%	0.031	16%	0.161	C	C	.	.	S	Bend	trans	110.3	135.9	-177.5	0	0	0	0	0	112.6	E533 K534 R538	G531-E533 VanDerWaalsContact C-OE2 3.27Å; G531-E533 WeakPolarHBondContact CA-OE2 3.48Å; G531-E533 PolarHBondContact O-N 3.03Å; G531-K534 PolarHBondContact O-N 3.35Å; G531-R538 PolarHBondContact O-NH1 3.15Å; G531-R538 PolarHBondContact O-NH2 3.47Å
532	S	89.8	Confident	95.8	Very high	46 Å²	46	32 Å²	32	32%	0.322	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-58.5	-35.9	179.1	42.7	0	0	0	0	111.9	K534 Q605	S532-K534 PolarHBondContact O-N 3.23Å; S532-Q605 PolarHBondContact O-NE2 3.23Å
533	E	91.4	Very high	95.6	Very high	112 Å²	112	33.9 Å²	33.9	52%	0.523	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-67.3	-4.9	-179.6	75.1	-74.2	-174.3	0	0	115	G531 K651	G531-E533 VanDerWaalsContact C-OE2 3.27Å; G531-E533 WeakPolarHBondContact CA-OE2 3.48Å; G531-E533 PolarHBondContact O-N 3.03Å; E533-K651 IonicContact OE1-NZ 2.69Å; E533-K651 PolarHBondContact OE1-NZ 2.7Å; E533-K651 IonicContact OE2-NZ 3.73Å; E533-K651 PolarHBondContact OE2-NZ 2.94Å
534	K	93.8	Very high	95.4	Very high	90 Å²	90	34.8 Å²	34.8	39%	0.391	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-116.5	24.3	-167.1	-54.3	-161.9	-175.8	176.8	0	115.7	T529 S530 G531 S532 L536 R537 R538	T529-K534 HydrophobicContact CG2-CB 3.92Å; T529-K534 HydrophobicContact CG2-CD 3.55Å; T529-K534 HydrophobicContact CG2-CG 4.35Å; S530-K534 WeakPolarHBondContact O-CD 3.42Å; G531-K534 PolarHBondContact O-N 3.35Å; S532-K534 PolarHBondContact O-N 3.23Å; K534-L536 PolarHBondContact O-N 2.98Å; K534-R537 HydrophobicContact CB-CB 4.4Å; K534-R537 PolarHBondContact O-N 3.38Å; K534-R538 PolarHBondContact O-N 2.99Å; K534-R538 VanDerWaalsContact O-N 3.16Å
535	K	95.8	Very high	95.3	Very high	58 Å²	58	34.8 Å²	34.8	25%	0.252	18%	0.179	S	C	.	.	H	α-helix	trans	-54.4	-48.6	-178.9	66.3	-174.3	-177.6	-175.9	0	113	R537 R538 N539 D579 Q605 E609	K535-R537 PolarHBondContact O-N 2.93Å; K535-R537 VanDerWaalsContact O-N 3.11Å; K535-R538 WeakPolarHBondContact O-CA 3.37Å; K535-R538 VanDerWaalsContact O-CB 3.32Å; K535-R538 WeakPolarHBondContact O-CB 3.37Å; K535-R538 PolarHBondContact O-N 3.14Å; K535-N539 PolarHBondContact O-N 2.55Å; K535-N539 PolarHBondContact O-OD1 3.28Å; K535-D579 IonicContact NZ-OD2 3.05Å; K535-D579 PolarHBondContact NZ-OD2 3.22Å; K535-Q605 HydrophobicContact CD-CB 4.35Å; K535-Q605 HydrophobicContact CD-CG 3.9Å; K535-E609 HydrophobicContact CD-CG 4.32Å; K535-E609 IonicContact NZ-OE1 2.7Å
536	L	95.5	Very high	95	Very high	118 Å²	118	35 Å²	35	62%	0.618	18%	0.18	S	C	*	.	H	α-helix	trans	-55.1	-34.1	174.9	-176.6	61.3	0	0	0	114.1	K534 N539 Q540	K534-L536 PolarHBondContact O-N 2.98Å; L536-N539 PolarHBondContact O-N 2.84Å; L536-Q540 WeakPolarHBondContact O-CG 3.47Å; L536-Q540 PolarHBondContact O-N 3.5Å
537	R	95	Very high	94.5	Very high	69 Å²	69	42.1 Å²	42.1	26%	0.26	21%	0.206	S	C	.	.	H	α-helix	trans	-74.5	-28.6	175.7	-175.4	58.9	-177.3	175.5	6.4	112.2	T498 G499 N502 T529 K534 K535 Q540 N541	T498-R537 PolarHBondContact O-NH2 3.49Å; T498-R537 VanDerWaalsContact O-NH2 3.09Å; G499-R537 PolarHBondContact O-NH2 3Å; N502-R537 PolarHBondContact OD1-NH2 2.69Å; T529-R537 HydrophobicContact CG2-CB 4.23Å; T529-R537 HydrophobicContact CG2-CG 3.85Å; T529-R537 WeakPolarHBondContact OG1-CG 3.41Å; K534-R537 HydrophobicContact CB-CB 4.4Å; K534-R537 PolarHBondContact O-N 3.38Å; K535-R537 PolarHBondContact O-N 2.93Å; K535-R537 VanDerWaalsContact O-N 3.11Å; R537-Q540 PolarHBondContact O-N 2.73Å; R537-N541 PolarHBondContact NE-ND2 2.75Å; R537-N541 WeakPolarHBondContact O-CB 3.03Å; R537-N541 PolarHBondContact O-N 3.37Å; R537-N541 PolarHBondContact O-ND2 2.9Å; R537-N541 PolarHBondContact O-OD1 3.01Å
538	R	97.6	Very high	94.2	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-66.6	-40.6	168.8	-67.1	-177.6	-85.9	-78.6	9.1	111.4	L528 T529 G531 K534 K535 N541 Y542 L574 N575 Y576	L528-R538 HydrophobicContact CB-CB 4.43Å; L528-R538 HydrophobicContact CB-CG 4.03Å; L528-R538 HydrophobicContact CD1-CB 4.39Å; T529-R538 WeakPolarHBondContact O-CD 3.32Å; T529-R538 WeakPolarHBondContact O-CG 3.43Å; T529-R538 PolarHBondContact O-NH1 2.85Å; G531-R538 PolarHBondContact O-NH1 3.15Å; G531-R538 PolarHBondContact O-NH2 3.47Å; K534-R538 PolarHBondContact O-N 2.99Å; K534-R538 VanDerWaalsContact O-N 3.16Å; K535-R538 WeakPolarHBondContact O-CA 3.37Å; K535-R538 VanDerWaalsContact O-CB 3.32Å; K535-R538 WeakPolarHBondContact O-CB 3.37Å; K535-R538 PolarHBondContact O-N 3.14Å; R538-N541 WeakPolarHBondContact O-CB 3.18Å; R538-N541 PolarHBondContact O-N 3.1Å; R538-N541 VanDerWaalsContact O-N 3.13Å; R538-Y542 PolarHBondContact O-N 2.8Å; R538-L574 WeakPolarHBondContact CD-O 3.29Å; R538-N575 VanDerWaalsContact CZ-O 3.28Å; R538-N575 PolarHBondContact NE-O 3.16Å; R538-N575 PolarHBondContact NH1-O 3.2Å; R538-Y576 HydrophobicContact CB-CE1 3.83Å; R538-Y576 HydrophobicContact CB-CE2 4.01Å; R538-Y576 WeakPolarHBondContact CB-OH 3.4Å
539	N	96.8	Very high	94	Very high	13 Å²	13	47.9 Å²	47.9	7%	0.07	23%	0.232	C	C	.	.	H	α-helix	trans	-59.4	-48.6	173.3	-52.5	15.1	0	0	0	110.6	K535 L536 N541 Y542 V543 Y576 E609 V615	K535-N539 PolarHBondContact O-N 2.55Å; K535-N539 PolarHBondContact O-OD1 3.28Å; L536-N539 PolarHBondContact O-N 2.84Å; N539-N541 VanDerWaalsContact C-N 3.3Å; N539-N541 PolarHBondContact O-N 3.2Å; N539-Y542 WeakPolarHBondContact O-CB 3.39Å; N539-Y542 PolarHBondContact O-N 3.36Å; N539-Y542 VanDerWaalsContact O-N 3.16Å; N539-V543 PolarHBondContact O-N 2.86Å; N539-Y576 PolarHBondContact OD1-OH 2.91Å; N539-E609 PolarHBondContact ND2-OE2 2.95Å; N539-V615 HydrophobicContact CB-CG1 3.5Å
540	Q	94.5	Very high	93.9	Very high	85 Å²	85	50.5 Å²	50.5	40%	0.397	25%	0.245	S	C	.	.	H	α-helix	trans	-59.1	-37.6	173.7	-71	174.4	-1.8	0	0	113	L536 R537 S544	L536-Q540 WeakPolarHBondContact O-CG 3.47Å; L536-Q540 PolarHBondContact O-N 3.5Å; R537-Q540 PolarHBondContact O-N 2.73Å; Q540-S544 WeakPolarHBondContact O-CB 3.17Å; Q540-S544 PolarHBondContact O-N 2.89Å; Q540-S544 PolarHBondContact O-OG 2.74Å
541	N	95.6	Very high	93.9	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-65	-44.5	174.9	-65.7	160.6	0	0	0	111.2	T498 L528 T529 R537 R538 N539 S544 I545	T498-N541 WeakPolarHBondContact CB-ND2 3.36Å; T498-N541 HydrophobicContact CG2-CB 4.43Å; T498-N541 PolarHBondContact O-ND2 3.5Å; L528-N541 HydrophobicContact CD2-CB 3.84Å; T529-N541 VanDerWaalsContact CB-OD1 3.29Å; T529-N541 WeakPolarHBondContact CB-OD1 3.43Å; T529-N541 PolarHBondContact N-OD1 2.57Å; T529-N541 PolarHBondContact OG1-OD1 3.03Å; R537-N541 PolarHBondContact NE-ND2 2.75Å; R537-N541 WeakPolarHBondContact O-CB 3.03Å; R537-N541 PolarHBondContact O-N 3.37Å; R537-N541 PolarHBondContact O-ND2 2.9Å; R537-N541 PolarHBondContact O-OD1 3.01Å; R538-N541 WeakPolarHBondContact O-CB 3.18Å; R538-N541 PolarHBondContact O-N 3.1Å; R538-N541 VanDerWaalsContact O-N 3.13Å; N539-N541 VanDerWaalsContact C-N 3.3Å; N539-N541 PolarHBondContact O-N 3.2Å; N541-S544 PolarHBondContact O-N 2.85Å; N541-I545 WeakPolarHBondContact O-CD1 3.38Å; N541-I545 VanDerWaalsContact O-CG1 3.27Å; N541-I545 WeakPolarHBondContact O-CG1 3.47Å; N541-I545 PolarHBondContact O-N 2.84Å
542	Y	97.4	Very high	93.9	Very high	3 Å²	3	48.3 Å²	48.3	1%	0.012	23%	0.231	C	C	.	.	H	α-helix	trans	-57.1	-52.5	174.9	163.6	-97.6	0	0	0	111.7	R538 N539 S544 I545 L546 W570 V615 F616	R538-Y542 PolarHBondContact O-N 2.8Å; N539-Y542 WeakPolarHBondContact O-CB 3.39Å; N539-Y542 PolarHBondContact O-N 3.36Å; N539-Y542 VanDerWaalsContact O-N 3.16Å; Y542-S544 VanDerWaalsContact C-N 3.3Å; Y542-S544 PolarHBondContact O-N 2.6Å; Y542-I545 PolarHBondContact O-N 2.97Å; Y542-L546 HydrophobicContact CE1-CD2 3.96Å; Y542-L546 VanDerWaalsContact O-CB 3.29Å; Y542-L546 WeakPolarHBondContact O-CB 3.46Å; Y542-L546 PolarHBondContact O-N 2.85Å; Y542-W570 AromaticContact CD2-CH2 3.58Å; Y542-W570 HydrophobicContact CD2-CH2 3.58Å; Y542-W570 AromaticContact CD2-CZ2 3.94Å; Y542-W570 HydrophobicContact CD2-CZ2 3.94Å; Y542-W570 AromaticContact CD2-CZ3 3.95Å; Y542-W570 HydrophobicContact CD2-CZ3 3.95Å; Y542-W570 HydrophobicContact CE2-CE3 4.35Å; Y542-W570 AromaticContact CE2-CH2 3.92Å; Y542-W570 HydrophobicContact CE2-CH2 3.92Å; Y542-W570 AromaticContact CE2-CZ3 3.8Å; Y542-W570 HydrophobicContact CE2-CZ3 3.8Å; Y542-V615 HydrophobicContact CD1-CB 4.11Å; Y542-V615 HydrophobicContact CD1-CG1 4.04Å; Y542-V615 HydrophobicContact CE1-CB 4.43Å; Y542-V615 HydrophobicContact CG-CB 4.46Å; Y542-V615 HydrophobicContact CG-CG1 4.44Å; Y542-F616 HydrophobicContact CD2-CD1 4.03Å; Y542-F616 HydrophobicContact CD2-CD2 4.02Å; Y542-F616 AromaticContact CD2-CE1 3.77Å; Y542-F616 HydrophobicContact CD2-CE1 3.77Å; Y542-F616 AromaticContact CD2-CE2 3.76Å; Y542-F616 HydrophobicContact CD2-CE2 3.76Å; Y542-F616 HydrophobicContact CD2-CG 4.15Å; Y542-F616 AromaticContact CD2-CZ 3.63Å; Y542-F616 HydrophobicContact CD2-CZ 3.63Å; Y542-F616 AromaticContact CE2-CD1 3.6Å; Y542-F616 HydrophobicContact CE2-CD1 3.6Å; Y542-F616 HydrophobicContact CE2-CD2 4.18Å; Y542-F616 AromaticContact CE2-CE1 3.73Å; Y542-F616 HydrophobicContact CE2-CE1 3.73Å; Y542-F616 HydrophobicContact CE2-CE2 4.29Å; Y542-F616 AromaticContact CE2-CG 3.84Å; Y542-F616 HydrophobicContact CE2-CG 3.84Å; Y542-F616 HydrophobicContact CE2-CZ 4.08Å; Y542-F616 HydrophobicContact CG-CE2 4.36Å; Y542-F616 VanDerWaalsContact CZ-N 3.27Å; Y542-F616 PolarHBondContact OH-N 3.4Å
543	V	94.3	Very high	93.4	Very high	38 Å²	38	49.7 Å²	49.7	23%	0.23	24%	0.235	C	C	.	.	H	α-helix	trans	-61.4	-38.1	178.3	177.1	0	0	0	0	111.5	N539 L546 R547	N539-V543 PolarHBondContact O-N 2.86Å; V543-L546 PolarHBondContact O-N 3.08Å; V543-R547 VanDerWaalsContact O-CB 3.3Å; V543-R547 WeakPolarHBondContact O-CB 3.49Å; V543-R547 PolarHBondContact O-N 2.83Å
544	S	93.6	Very high	92.7	Very high	20 Å²	20	50.9 Å²	50.9	14%	0.14	24%	0.238	C	C	.	.	H	α-helix	trans	-64.2	-44.3	175.7	-57.7	0	0	0	0	112.2	Q540 N541 Y542 F548	Q540-S544 WeakPolarHBondContact O-CB 3.17Å; Q540-S544 PolarHBondContact O-N 2.89Å; Q540-S544 PolarHBondContact O-OG 2.74Å; N541-S544 PolarHBondContact O-N 2.85Å; Y542-S544 VanDerWaalsContact C-N 3.3Å; Y542-S544 PolarHBondContact O-N 2.6Å; S544-F548 WeakPolarHBondContact O-CB 3.35Å; S544-F548 WeakPolarHBondContact O-CD2 3.3Å; S544-F548 PolarHBondContact O-N 2.96Å; S544-F548 VanDerWaalsContact O-N 3.11Å
545	I	96.4	Very high	91.8	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-64.5	-45.8	176.9	-66	154.6	0	0	0	109.7	V496 T498 A509 V524 L528 N541 Y542 R547 F548 L549 W570	V496-I545 HydrophobicContact CB-CG1 4.29Å; V496-I545 HydrophobicContact CG1-CG1 4.34Å; T498-I545 HydrophobicContact CG2-CD1 4.24Å; T498-I545 HydrophobicContact CG2-CG1 3.79Å; A509-I545 HydrophobicContact CB-CB 4.42Å; A509-I545 HydrophobicContact CB-CD1 3.72Å; A509-I545 HydrophobicContact CB-CG1 3.79Å; A509-I545 HydrophobicContact CB-CG2 3.69Å; V524-I545 HydrophobicContact CG1-CG2 4.1Å; L528-I545 HydrophobicContact CD2-CD1 3.6Å; N541-I545 WeakPolarHBondContact O-CD1 3.38Å; N541-I545 VanDerWaalsContact O-CG1 3.27Å; N541-I545 WeakPolarHBondContact O-CG1 3.47Å; N541-I545 PolarHBondContact O-N 2.84Å; Y542-I545 PolarHBondContact O-N 2.97Å; I545-R547 VanDerWaalsContact C-N 3.34Å; I545-R547 PolarHBondContact O-N 3.18Å; I545-F548 PolarHBondContact O-N 2.71Å; I545-L549 HydrophobicContact CG2-CB 4.21Å; I545-L549 HydrophobicContact CG2-CD2 4.11Å; I545-L549 WeakPolarHBondContact O-CB 3.26Å; I545-L549 PolarHBondContact O-N 2.92Å; I545-W570 HydrophobicContact CB-CH2 3.81Å; I545-W570 HydrophobicContact CB-CZ2 3.92Å; I545-W570 HydrophobicContact CD1-CZ2 4Å; I545-W570 HydrophobicContact CG2-CH2 3.49Å; I545-W570 VanDerWaalsContact CG2-CH2 3.49Å; I545-W570 HydrophobicContact CG2-CZ2 3.59Å; I545-W570 HydrophobicContact CG2-CZ3 4.42Å
546	L	93.4	Very high	91.2	Very high	3 Å²	3	53.2 Å²	53.2	2%	0.016	25%	0.249	C	C	.	.	H	α-helix	trans	-58.9	-41.9	179.8	179.6	52.2	0	0	0	113.1	Y542 V543 D560 I561 T562 Q823 G824	Y542-L546 HydrophobicContact CE1-CD2 3.96Å; Y542-L546 VanDerWaalsContact O-CB 3.29Å; Y542-L546 WeakPolarHBondContact O-CB 3.46Å; Y542-L546 PolarHBondContact O-N 2.85Å; V543-L546 PolarHBondContact O-N 3.08Å; L546-D560 HydrophobicContact CD1-CB 3.76Å; L546-D560 VanDerWaalsContact CD1-CG 3.42Å; L546-D560 HydrophobicContact CG-CB 4.23Å; L546-I561 HydrophobicContact CD1-CD1 4.29Å; L546-I561 HydrophobicContact CD1-CG1 3.53Å; L546-T562 HydrophobicContact CD1-CG2 3.51Å; L546-T562 HydrophobicContact CD2-CG2 4.43Å; L546-Q823 WeakPolarHBondContact CD2-O 3.23Å; L546-G824 VanDerWaalsContact CD2-CA 3.41Å
547	R	87.8	Confident	90.3	Very high	150 Å²	150	52.2 Å²	52.2	57%	0.566	25%	0.245	S	C	*	.	H	α-helix	trans	-76.2	-32.2	-179.6	-175.2	178.6	177.1	143.7	-7.6	113.9	V543 I545	V543-R547 VanDerWaalsContact O-CB 3.3Å; V543-R547 WeakPolarHBondContact O-CB 3.49Å; V543-R547 PolarHBondContact O-N 2.83Å; I545-R547 VanDerWaalsContact C-N 3.34Å; I545-R547 PolarHBondContact O-N 3.18Å
548	F	92.1	Very high	89.6	Confident	119 Å²	119	50.8 Å²	50.8	52%	0.522	24%	0.244	S	C	.	.	H	α-helix	trans	-112.6	-13.2	-168.7	-60	-55.4	0	0	0	115.5	V496 S544 I545 N550	V496-F548 HydrophobicContact CG1-CB 4.13Å; V496-F548 VanDerWaalsContact CG2-C 3.49Å; V496-F548 HydrophobicContact CG2-CB 3.86Å; S544-F548 WeakPolarHBondContact O-CB 3.35Å; S544-F548 WeakPolarHBondContact O-CD2 3.3Å; S544-F548 PolarHBondContact O-N 2.96Å; S544-F548 VanDerWaalsContact O-N 3.11Å; I545-F548 PolarHBondContact O-N 2.71Å; F548-N550 PolarHBondContact O-N 2.88Å
549	L	94.6	Very high	89.3	Confident	5 Å²	5	50.9 Å²	50.9	3%	0.026	25%	0.245	C	C	.	.			trans	-80.5	106.4	180	-170.2	72.3	0	0	0	110.1	D494 V496 V524 I545 L551 I561	D494-L549 HydrophobicContact CB-CD1 3.91Å; D494-L549 WeakPolarHBondContact O-CD1 3.27Å; V496-L549 HydrophobicContact CG2-CB 3.69Å; V496-L549 HydrophobicContact CG2-CD1 3.93Å; V496-L549 HydrophobicContact CG2-CG 4.44Å; V524-L549 HydrophobicContact CB-CD2 4.37Å; V524-L549 HydrophobicContact CG1-CD2 3.87Å; V524-L549 HydrophobicContact CG2-CD2 3.63Å; I545-L549 HydrophobicContact CG2-CB 4.21Å; I545-L549 HydrophobicContact CG2-CD2 4.11Å; I545-L549 WeakPolarHBondContact O-CB 3.26Å; I545-L549 PolarHBondContact O-N 2.92Å; L549-L551 HydrophobicContact CD2-CD1 3.83Å; L549-L551 HydrophobicContact CD2-CG 4.42Å; L549-L551 HydrophobicContact CG-CD1 4.12Å; L549-L551 HydrophobicContact CG-CG 4.16Å; L549-L551 PolarHBondContact O-N 3.06Å; L549-I561 HydrophobicContact CD2-CD1 4.15Å; L549-I561 WeakPolarHBondContact O-CG2 3.31Å
550	N	93	Very high	89.1	Confident	75 Å²	75	51 Å²	51	40%	0.401	25%	0.245	S	C	.	.			trans	-96.4	84.8	-170.5	-165.3	13.4	0	0	0	112.3	D494 F548 R564	D494-N550 PolarHBondContact OD2-N 2.94Å; F548-N550 PolarHBondContact O-N 2.88Å; N550-R564 PolarHBondContact OD1-NH1 3.26Å
551	L	93.4	Very high	89.1	Confident	1 Å²	1	47 Å²	47	1%	0.005	23%	0.226	C	C	.	.			trans	-110.3	161.8	176.7	-63.3	174.4	0	0	0	112	F492 D494 L549 I561 R564 F565	F492-L551 HydrophobicContact CB-CD2 4.47Å; D494-L551 HydrophobicContact CB-CD2 4.04Å; L549-L551 HydrophobicContact CD2-CD1 3.83Å; L549-L551 HydrophobicContact CD2-CG 4.42Å; L549-L551 HydrophobicContact CG-CD1 4.12Å; L549-L551 HydrophobicContact CG-CG 4.16Å; L549-L551 PolarHBondContact O-N 3.06Å; L551-I561 HydrophobicContact CB-CG2 4.31Å; L551-R564 WeakPolarHBondContact O-CD 3.35Å; L551-R564 PolarHBondContact O-NH1 2.94Å; L551-F565 HydrophobicContact CB-CE2 4.15Å; L551-F565 HydrophobicContact CB-CZ 3.61Å
552	G	89.8	Confident	89.1	Confident	9 Å²	9	47.3 Å²	47.3	9%	0.093	23%	0.229	C	C	.	.	S	Bend	trans	77.1	-164.6	175.5	0	0	0	0	0	115	S513 K554	S513-G552 PolarHBondContact OG-N 2.89Å; S513-G552 VanDerWaalsContact OG-N 3.11Å; G552-K554 PolarHBondContact O-N 2.96Å
553	D	78.9	Confident	89	Confident	76 Å²	76	47.4 Å²	47.4	41%	0.406	23%	0.229	S	C	.	.			trans	-70.9	125.6	-178.7	-172.3	-3.6	0	0	0	111.6	K555 L556	D553-K555 PolarHBondContact O-N 2.84Å; D553-K555 WeakPolarHBondContact OD1-CB 3.24Å; D553-K555 WeakPolarHBondContact OD1-CG 3.07Å; D553-K555 PolarHBondContact OD1-N 2.8Å; D553-K555 WeakPolarHBondContact OD2-CD 3.39Å; D553-L556 WeakPolarHBondContact O-CB 3.11Å; D553-L556 PolarHBondContact O-N 2.91Å
554	K	77	Confident	89.1	Confident	137 Å²	137	46.7 Å²	46.7	60%	0.596	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-66.6	-16.4	176.1	-62.2	-178.1	180	-178.6	0	113.1	G552 L556 N557	G552-K554 PolarHBondContact O-N 2.96Å; K554-L556 PolarHBondContact O-N 2.86Å; K554-N557 VanDerWaalsContact O-CB 3.3Å; K554-N557 WeakPolarHBondContact O-CB 3.17Å; K554-N557 PolarHBondContact O-N 3.43Å; K554-N557 VanDerWaalsContact O-N 3.16Å; K554-N557 PolarHBondContact O-ND2 3.16Å; K554-N557 PolarHBondContact O-OD1 3.36Å
555	K	76.3	Confident	89.2	Confident	168 Å²	168	46.1 Å²	46.1	73%	0.73	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-62	-28.8	168.1	-63.9	177.9	-172.3	172.6	0	111.8	D553 N557	D553-K555 PolarHBondContact O-N 2.84Å; D553-K555 WeakPolarHBondContact OD1-CB 3.24Å; D553-K555 WeakPolarHBondContact OD1-CG 3.07Å; D553-K555 PolarHBondContact OD1-N 2.8Å; D553-K555 WeakPolarHBondContact OD2-CD 3.39Å; K555-N557 PolarHBondContact O-N 3.31Å
556	L	81.8	Confident	89.2	Confident	28 Å²	28	46.9 Å²	46.9	15%	0.147	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-86.8	25.4	174.9	-56.3	179.9	0	0	0	112.7	D553 K554 P558 F559 R564 H738 L787	D553-L556 WeakPolarHBondContact O-CB 3.11Å; D553-L556 PolarHBondContact O-N 2.91Å; K554-L556 PolarHBondContact O-N 2.86Å; L556-P558 VanDerWaalsContact C-N 3.31Å; L556-F559 HydrophobicContact CB-CD2 4.04Å; L556-F559 HydrophobicContact CD2-CD2 4.14Å; L556-F559 HydrophobicContact CD2-CE2 4.23Å; L556-F559 WeakPolarHBondContact O-CB 3.47Å; L556-F559 PolarHBondContact O-N 3.01Å; L556-R564 HydrophobicContact CB-CG 4.09Å; L556-R564 HydrophobicContact CD1-CB 4.46Å; L556-R564 HydrophobicContact CD1-CG 4.42Å; L556-R564 PolarHBondContact O-NE 3.27Å; L556-H738 HydrophobicContact CD2-CB 4.11Å; L556-L787 HydrophobicContact CD1-CD1 3.97Å; L556-L787 HydrophobicContact CD2-CD1 3.96Å
557	N	76.8	Confident	89.5	Confident	98 Å²	98	46.8 Å²	46.8	52%	0.524	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-33.2	175.9	-89.4	-6.9	0	0	0	115.7	K554 K555 F559	K554-N557 VanDerWaalsContact O-CB 3.3Å; K554-N557 WeakPolarHBondContact O-CB 3.17Å; K554-N557 PolarHBondContact O-N 3.43Å; K554-N557 VanDerWaalsContact O-N 3.16Å; K554-N557 PolarHBondContact O-ND2 3.16Å; K554-N557 PolarHBondContact O-OD1 3.36Å; K555-N557 PolarHBondContact O-N 3.31Å; N557-F559 PolarHBondContact O-N 2.97Å
558	P	79.9	Confident	90	Very high	38 Å²	38	39.8 Å²	39.8	25%	0.247	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-15.3	173.9	-24.2	35.5	0	0	0	114.7	L556	L556-P558 VanDerWaalsContact C-N 3.31Å
559	F	91.7	Very high	90.3	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.009	17%	0.171	C	C	.	.	S	Bend	trans	-103.2	136.6	-177.5	-60.6	-87.2	0	0	0	110.7	L556 N557 H563 R564 H738 L787 C789 E801	L556-F559 HydrophobicContact CB-CD2 4.04Å; L556-F559 HydrophobicContact CD2-CD2 4.14Å; L556-F559 HydrophobicContact CD2-CE2 4.23Å; L556-F559 WeakPolarHBondContact O-CB 3.47Å; L556-F559 PolarHBondContact O-N 3.01Å; N557-F559 PolarHBondContact O-N 2.97Å; F559-H563 HydrophobicContact CB-CB 4.04Å; F559-H563 HydrophobicContact CD1-CB 3.7Å; F559-H563 HydrophobicContact CG-CB 4.23Å; F559-R564 HydrophobicContact CB-CG 4.33Å; F559-R564 VanDerWaalsContact O-CZ 3.32Å; F559-R564 PolarHBondContact O-NE 2.7Å; F559-R564 PolarHBondContact O-NH2 3.22Å; F559-H738 HydrophobicContact CE2-CB 3.93Å; F559-H738 AromaticContact CE2-CD2 3.71Å; F559-H738 AromaticContact CE2-CE1 3.97Å; F559-H738 AromaticContact CE2-CG 3.6Å; F559-H738 AromaticContact CE2-ND1 3.78Å; F559-H738 AromaticContact CE2-NE2 3.96Å; F559-H738 HydrophobicContact CZ-CB 4.16Å; F559-H738 AromaticContact CZ-CD2 3.86Å; F559-L787 HydrophobicContact CE1-CB 3.77Å; F559-L787 HydrophobicContact CE2-CB 4.3Å; F559-L787 HydrophobicContact CZ-CB 3.63Å; F559-C789 HydrophobicContact CE1-CB 4.08Å; F559-C789 HydrophobicContact CZ-CB 3.77Å; F559-E801 HydrophobicContact CD1-CB 3.76Å; F559-E801 HydrophobicContact CD1-CG 3.56Å; F559-E801 HydrophobicContact CE1-CB 3.96Å; F559-E801 HydrophobicContact CE1-CG 3.94Å; F559-E801 HydrophobicContact CG-CG 4.37Å
560	D	92.9	Very high	90.5	Very high	15 Å²	15	34 Å²	34	8%	0.08	17%	0.17	C	C	.	.			trans	-69	167.9	163	76.3	33.4	0	0	0	111.5	L546 T562 H563 Q823 G824	L546-D560 HydrophobicContact CD1-CB 3.76Å; L546-D560 VanDerWaalsContact CD1-CG 3.42Å; L546-D560 HydrophobicContact CG-CB 4.23Å; D560-T562 PolarHBondContact O-N 2.87Å; D560-T562 WeakPolarHBondContact OD1-CA 3.09Å; D560-T562 VanDerWaalsContact OD1-CB 3.25Å; D560-T562 WeakPolarHBondContact OD1-CB 3.18Å; D560-T562 PolarHBondContact OD1-N 2.94Å; D560-T562 PolarHBondContact OD1-OG1 2.91Å; D560-H563 PolarHBondContact O-N 2.79Å; D560-H563 IonicContact OD1-ND1 2.83Å; D560-Q823 WeakPolarHBondContact OD2-CA 3.31Å; D560-Q823 PolarHBondContact OD2-N 3.16Å; D560-G824 PolarHBondContact OD2-N 3.15Å
561	I	95.2	Very high	90.8	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-56.8	-20.4	-176.9	52	165.4	0	0	0	114	V524 L546 L549 L551 H563 R564 F565 W570	V524-I561 HydrophobicContact CG2-CD1 4.05Å; L546-I561 HydrophobicContact CD1-CD1 4.29Å; L546-I561 HydrophobicContact CD1-CG1 3.53Å; L549-I561 HydrophobicContact CD2-CD1 4.15Å; L549-I561 WeakPolarHBondContact O-CG2 3.31Å; L551-I561 HydrophobicContact CB-CG2 4.31Å; I561-H563 PolarHBondContact O-N 2.9Å; I561-R564 PolarHBondContact O-N 3.11Å; I561-F565 HydrophobicContact CB-CE2 4.06Å; I561-F565 HydrophobicContact CG2-CE2 4.17Å; I561-F565 VanDerWaalsContact O-CD2 3.28Å; I561-F565 WeakPolarHBondContact O-CD2 3.43Å; I561-W570 HydrophobicContact CD1-CZ3 4.02Å
562	T	95.3	Very high	91	Very high	8 Å²	8	30.3 Å²	30.3	5%	0.049	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-75.6	-4	179.8	77	0	0	0	0	113.6	L546 D560 L568 F619 K664	L546-T562 HydrophobicContact CD1-CG2 3.51Å; L546-T562 HydrophobicContact CD2-CG2 4.43Å; D560-T562 PolarHBondContact O-N 2.87Å; D560-T562 WeakPolarHBondContact OD1-CA 3.09Å; D560-T562 VanDerWaalsContact OD1-CB 3.25Å; D560-T562 WeakPolarHBondContact OD1-CB 3.18Å; D560-T562 PolarHBondContact OD1-N 2.94Å; D560-T562 PolarHBondContact OD1-OG1 2.91Å; T562-L568 HydrophobicContact CG2-CD2 3.93Å; T562-F619 HydrophobicContact CG2-CE2 3.72Å; T562-F619 HydrophobicContact CG2-CZ 3.87Å; T562-K664 VanDerWaalsContact CB-NZ 3.32Å; T562-K664 WeakPolarHBondContact O-CD 3.48Å; T562-K664 WeakPolarHBondContact O-CE 3.45Å; T562-K664 PolarHBondContact O-NZ 2.84Å; T562-K664 PolarHBondContact OG1-NZ 3.09Å
563	H	94.8	Very high	91.5	Very high	5 Å²	5	30 Å²	30	2%	0.023	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-125.7	7.1	174.3	-61.7	101.1	0	0	0	113.7	F559 D560 I561 K664 Y666 L787 T821	F559-H563 HydrophobicContact CB-CB 4.04Å; F559-H563 HydrophobicContact CD1-CB 3.7Å; F559-H563 HydrophobicContact CG-CB 4.23Å; D560-H563 PolarHBondContact O-N 2.79Å; D560-H563 IonicContact OD1-ND1 2.83Å; I561-H563 PolarHBondContact O-N 2.9Å; H563-K664 PolarHBondContact CE1-NZ 3.3Å; H563-K664 PolarHBondContact NE2-NZ 3.21Å; H563-Y666 PolarHBondContact O-OH 3.4Å; H563-Y666 VanDerWaalsContact O-OH 3.07Å; H563-L787 HydrophobicContact CB-CD2 4.33Å; H563-L787 WeakPolarHBondContact O-CD1 3.18Å; H563-L787 WeakPolarHBondContact O-CD2 3.25Å; H563-T821 PolarHBondContact CE1-OG1 3.44Å
564	R	95.4	Very high	92.4	Very high	23 Å²	23	26.3 Å²	26.3	9%	0.087	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-15.5	177.9	-65	-176.2	-171.9	-170.3	-0.2	114.7	S520 N550 L551 L556 F559 I561	S520-R564 PolarHBondContact OG-O 3.46Å; N550-R564 PolarHBondContact OD1-NH1 3.26Å; L551-R564 WeakPolarHBondContact O-CD 3.35Å; L551-R564 PolarHBondContact O-NH1 2.94Å; L556-R564 HydrophobicContact CB-CG 4.09Å; L556-R564 HydrophobicContact CD1-CB 4.46Å; L556-R564 HydrophobicContact CD1-CG 4.42Å; L556-R564 PolarHBondContact O-NE 3.27Å; F559-R564 HydrophobicContact CB-CG 4.33Å; F559-R564 VanDerWaalsContact O-CZ 3.32Å; F559-R564 PolarHBondContact O-NE 2.7Å; F559-R564 PolarHBondContact O-NH2 3.22Å; I561-R564 PolarHBondContact O-N 3.11Å
565	F	96.5	Very high	93.4	Very high	8 Å²	8	20 Å²	20	4%	0.035	10%	0.099	C	C	.	.			trans	-126.7	132.6	-169.5	-52.2	-65.1	0	0	0	113.1	S520 L551 I561 H567 L568 Y666	S520-F565 WeakPolarHBondContact OG-CA 3.38Å; L551-F565 HydrophobicContact CB-CE2 4.15Å; L551-F565 HydrophobicContact CB-CZ 3.61Å; I561-F565 HydrophobicContact CB-CE2 4.06Å; I561-F565 HydrophobicContact CG2-CE2 4.17Å; I561-F565 VanDerWaalsContact O-CD2 3.28Å; I561-F565 WeakPolarHBondContact O-CD2 3.43Å; F565-H567 PolarHBondContact O-N 3.42Å; F565-L568 HydrophobicContact CB-CB 4.35Å; F565-L568 HydrophobicContact CD2-CB 4.38Å; F565-L568 HydrophobicContact CD2-CD1 4.13Å; F565-Y666 PolarHBondContact N-OH 2.64Å; F565-Y666 WeakPolarHBondContact O-CD1 3.13Å; F565-Y666 WeakPolarHBondContact O-CE1 3.33Å
566	T	97.1	Very high	94.5	Very high	16 Å²	16	12 Å²	12	10%	0.098	6%	0.064	C	C	.	.	S	Bend	trans	-53.4	-39.2	168.5	-43	0	0	0	0	110.9	T519 S520 S665 Y666 V669	T519-T566 HydrophobicContact CG2-CG2 3.93Å; S520-T566 PolarHBondContact N-OG1 2.86Å; S520-T566 WeakPolarHBondContact O-CB 3.46Å; S520-T566 PolarHBondContact O-N 3.24Å; S520-T566 PolarHBondContact OG-N 3.14Å; S520-T566 PolarHBondContact OG-OG1 2.93Å; T566-S665 CarbonylContact O-C 3.42Å; T566-S665 WeakPolarHBondContact O-CA 3.37Å; T566-S665 VanDerWaalsContact O-CB 3.32Å; T566-S665 WeakPolarHBondContact O-CB 3.32Å; T566-Y666 HydrophobicContact CG2-CD2 4.12Å; T566-Y666 PolarHBondContact O-N 3.26Å; T566-V669 HydrophobicContact CG2-CG1 4.06Å; T566-V669 HydrophobicContact CG2-CG2 3.95Å
567	H	98.4	Very high	95.3	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.005	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	114.3	169.6	-56.7	-70.6	0	0	0	111	S520 F521 G522 F565 S665	S520-H567 PolarHBondContact O-N 2.87Å; F521-H567 WeakPolarHBondContact CA-O 3.25Å; F521-H567 HydrophobicContact CD1-CB 3.86Å; F521-H567 HydrophobicContact CE1-CB 3.91Å; F521-H567 AromaticContact CE1-CD2 3.54Å; F521-H567 AromaticContact CE1-CG 3.98Å; F521-H567 AromaticContact CZ-CD2 3.68Å; G522-H567 PolarHBondContact N-O 2.61Å; F565-H567 PolarHBondContact O-N 3.42Å; H567-S665 PolarHBondContact ND1-OG 3.03Å
568	L	98.6	Very high	96.3	Very high	2 Å²	2	6.2 Å²	6.2	1%	0.01	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	121	166.8	174	61.8	0	0	0	109.1	G522 V524 T562 F565 F619 R663 K664	G522-L568 CarbonylContact O-C 3.56Å; G522-L568 WeakPolarHBondContact O-CA 3.42Å; V524-L568 HydrophobicContact CG2-CD1 4.02Å; T562-L568 HydrophobicContact CG2-CD2 3.93Å; F565-L568 HydrophobicContact CB-CB 4.35Å; F565-L568 HydrophobicContact CD2-CB 4.38Å; F565-L568 HydrophobicContact CD2-CD1 4.13Å; L568-F619 HydrophobicContact CD2-CE1 4.07Å; L568-F619 HydrophobicContact CD2-CZ 3.67Å; L568-F619 HydrophobicContact CG-CE1 4.23Å; L568-F619 HydrophobicContact CG-CZ 4.33Å; L568-R663 CarbonylContact O-C 3.58Å; L568-R663 WeakPolarHBondContact O-CA 3.34Å; L568-K664 PolarHBondContact N-O 3.04Å; L568-K664 PolarHBondContact O-N 2.75Å; L568-K664 VanDerWaalsContact O-O 3.07Å
569	I	98.9	Very high	97	Very high	2 Å²	2	7.3 Å²	7.3	1%	0.01	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	124.3	175.3	-63.7	168.2	0	0	0	109.4	V394 G522 F523 V524 V661 L662 R663 F694	V394-I569 HydrophobicContact CG1-CG2 4.02Å; V394-I569 HydrophobicContact CG2-CD1 4.29Å; V394-I569 HydrophobicContact CG2-CG2 4.18Å; G522-I569 PolarHBondContact O-N 3.22Å; F523-I569 CarbonylContact C-O 3.57Å; F523-I569 VanDerWaalsContact CA-O 3.31Å; F523-I569 WeakPolarHBondContact CA-O 3.39Å; F523-I569 HydrophobicContact CD1-CB 3.96Å; F523-I569 HydrophobicContact CE1-CB 4.17Å; F523-I569 HydrophobicContact CE1-CD1 3.87Å; F523-I569 HydrophobicContact CE1-CG1 4.47Å; V524-I569 PolarHBondContact N-O 3.43Å; I569-V661 HydrophobicContact CG2-CG1 3.81Å; I569-L662 WeakPolarHBondContact CA-O 3.22Å; I569-R663 HydrophobicContact CG1-CB 4.01Å; I569-F694 HydrophobicContact CD1-CD2 3.95Å; I569-F694 HydrophobicContact CD1-CE2 4.11Å; I569-F694 HydrophobicContact CG2-CE2 4.49Å
570	W	98.9	Very high	97.2	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	124.5	179.5	-161.5	-49.6	0	0	0	109.2	V524 S526 Y542 I545 I561 F616 F619 L662	V524-W570 HydrophobicContact CB-CD2 3.94Å; V524-W570 HydrophobicContact CB-CE3 4.3Å; V524-W570 HydrophobicContact CB-CG 4.03Å; V524-W570 HydrophobicContact CG1-CD2 3.86Å; V524-W570 HydrophobicContact CG1-CE3 4.32Å; V524-W570 HydrophobicContact CG1-CG 4.26Å; V524-W570 HydrophobicContact CG1-CZ2 4.11Å; V524-W570 HydrophobicContact CG2-CE3 4.44Å; V524-W570 WeakPolarHBondContact O-CA 3.35Å; S526-W570 PolarHBondContact OG-NE1 3.49Å; Y542-W570 AromaticContact CD2-CH2 3.58Å; Y542-W570 HydrophobicContact CD2-CH2 3.58Å; Y542-W570 AromaticContact CD2-CZ2 3.94Å; Y542-W570 HydrophobicContact CD2-CZ2 3.94Å; Y542-W570 AromaticContact CD2-CZ3 3.95Å; Y542-W570 HydrophobicContact CD2-CZ3 3.95Å; Y542-W570 HydrophobicContact CE2-CE3 4.35Å; Y542-W570 AromaticContact CE2-CH2 3.92Å; Y542-W570 HydrophobicContact CE2-CH2 3.92Å; Y542-W570 AromaticContact CE2-CZ3 3.8Å; Y542-W570 HydrophobicContact CE2-CZ3 3.8Å; I545-W570 HydrophobicContact CB-CH2 3.81Å; I545-W570 HydrophobicContact CB-CZ2 3.92Å; I545-W570 HydrophobicContact CD1-CZ2 4Å; I545-W570 HydrophobicContact CG2-CH2 3.49Å; I545-W570 VanDerWaalsContact CG2-CH2 3.49Å; I545-W570 HydrophobicContact CG2-CZ2 3.59Å; I545-W570 HydrophobicContact CG2-CZ3 4.42Å; I561-W570 HydrophobicContact CD1-CZ3 4.02Å; W570-F616 HydrophobicContact CB-CE1 4.02Å; W570-F616 AromaticContact CD1-CE1 3.95Å; W570-F616 AromaticContact CD2-CE1 3.56Å; W570-F616 HydrophobicContact CD2-CE1 3.56Å; W570-F616 HydrophobicContact CD2-CZ 4.08Å; W570-F616 AromaticContact CE2-CE1 3.89Å; W570-F616 AromaticContact CE2-CZ 3.92Å; W570-F616 AromaticContact CE3-CE1 3.94Å; W570-F616 HydrophobicContact CE3-CE1 3.94Å; W570-F616 AromaticContact CG-CE1 3.61Å; W570-F616 HydrophobicContact CG-CE1 3.61Å; W570-F616 HydrophobicContact CG-CZ 4.16Å; W570-F616 HydrophobicContact CZ2-CZ 4.39Å; W570-F616 AromaticContact NE1-CZ 3.92Å; W570-F619 HydrophobicContact CB-CE1 4.04Å; W570-F619 HydrophobicContact CE3-CE1 4.43Å; W570-F619 HydrophobicContact CE3-CZ 4.13Å; W570-L662 PolarHBondContact N-O 2.69Å; W570-L662 PolarHBondContact O-N 2.91Å
571	L	98.9	Very high	97.2	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	166.8	-177.3	60.1	148.5	0	0	0	110.7	V394 G395 V524 N525 S526 R660 V661	V394-L571 HydrophobicContact CG1-CB 4.16Å; V394-L571 HydrophobicContact CG1-CD1 3.96Å; V394-L571 HydrophobicContact CG1-CD2 3.9Å; V394-L571 HydrophobicContact CG1-CG 4.23Å; G395-L571 VanDerWaalsContact O-CD1 3.25Å; G395-L571 WeakPolarHBondContact O-CD1 3.48Å; V524-L571 VanDerWaalsContact O-CD2 3.29Å; V524-L571 WeakPolarHBondContact O-CD2 3.22Å; V524-L571 PolarHBondContact O-N 2.84Å; V524-L571 VanDerWaalsContact O-O 3.13Å; N525-L571 WeakPolarHBondContact CA-O 3.37Å; N525-L571 HydrophobicContact CB-CD1 4.35Å; N525-L571 HydrophobicContact CB-CG 4.19Å; S526-L571 PolarHBondContact N-O 2.91Å; L571-R660 VanDerWaalsContact CA-O 3.29Å; L571-R660 WeakPolarHBondContact CA-O 3.22Å; L571-V661 HydrophobicContact CB-CG1 4.49Å; L571-V661 HydrophobicContact CB-CG2 4.11Å
572	G	98.8	Very high	97	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	142.7	-177.5	166.9	0	0	0	0	0	115.2	T396 N525 S526 L574 D659 R660	T396-G572 WeakPolarHBondContact OG1-CA 3.26Å; T396-G572 PolarHBondContact OG1-N 2.61Å; N525-G572 WeakPolarHBondContact OD1-CA 3.33Å; S526-G572 CarbonylContact O-C 3.59Å; S526-G572 VanDerWaalsContact O-CA 3.3Å; S526-G572 WeakPolarHBondContact O-CA 3.18Å; G572-L574 VanDerWaalsContact C-N 3.3Å; G572-L574 PolarHBondContact O-N 3.24Å; G572-L574 VanDerWaalsContact O-N 3.1Å; G572-D659 WeakPolarHBondContact O-CA 3.37Å; G572-R660 PolarHBondContact N-O 3.17Å; G572-R660 VanDerWaalsContact N-O 3.13Å; G572-R660 PolarHBondContact O-N 2.97Å
573	D	98.9	Very high	96.9	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.005	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	86.7	160.7	-178	-1.1	0	0	0	108.6	N398 Q438 S526 H527 L528 N575 C658 H687	N398-D573 HydrophobicContact CB-CB 4.26Å; N398-D573 PolarHBondContact ND2-OD2 3.39Å; Q438-D573 HydrophobicContact CB-CB 4.47Å; Q438-D573 HydrophobicContact CG-CB 4.11Å; S526-D573 PolarHBondContact O-N 2.99Å; H527-D573 WeakPolarHBondContact CA-O 3.36Å; H527-D573 IonicContact CD2-OD2 2.73Å; H527-D573 IonicContact NE2-OD2 2.64Å; L528-D573 PolarHBondContact N-O 3.34Å; D573-N575 PolarHBondContact O-N 2.91Å; D573-N575 VanDerWaalsContact OD1-CA 3.27Å; D573-N575 WeakPolarHBondContact OD1-CA 3.28Å; D573-N575 WeakPolarHBondContact OD1-CB 3.14Å; D573-N575 PolarHBondContact OD1-N 2.9Å; D573-N575 PolarHBondContact OD1-ND2 3.43Å; D573-N575 PolarHBondContact OD2-ND2 2.85Å; D573-C658 CarbonylContact C-O 3.54Å; D573-C658 WeakPolarHBondContact OD1-CB 3.49Å; D573-H687 IonicContact OD2-CE1 3.27Å; D573-H687 PolarHBondContact OD2-CE1 3.27Å; D573-H687 IonicContact OD2-NE2 2.67Å
574	L	98.8	Very high	96.8	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.127	C	C	.	.			trans	-74.2	-9.8	176.7	-51.8	-166.9	0	0	0	111.8	S526 L528 R538 G572 Y576 L606 F616 C658 R660 L662	S526-L574 WeakPolarHBondContact OG-CD2 3.31Å; L528-L574 HydrophobicContact CD1-CB 4.09Å; L528-L574 HydrophobicContact CD1-CD2 4.04Å; L528-L574 HydrophobicContact CG-CD2 4.26Å; R538-L574 WeakPolarHBondContact CD-O 3.29Å; G572-L574 VanDerWaalsContact C-N 3.3Å; G572-L574 PolarHBondContact O-N 3.24Å; G572-L574 VanDerWaalsContact O-N 3.1Å; L574-Y576 HydrophobicContact CB-CD2 3.81Å; L574-Y576 HydrophobicContact CB-CE2 4.13Å; L574-Y576 WeakPolarHBondContact O-CD2 3.19Å; L574-Y576 PolarHBondContact O-N 3.28Å; L574-L606 HydrophobicContact CD1-CD2 3.83Å; L574-F616 HydrophobicContact CD1-CE2 4.15Å; L574-F616 HydrophobicContact CD1-CZ 3.97Å; L574-C658 PolarHBondContact N-O 2.93Å; L574-R660 HydrophobicContact CB-CG 4.45Å; L574-R660 HydrophobicContact CD1-CB 3.77Å; L574-R660 HydrophobicContact CD1-CG 4.17Å; L574-R660 HydrophobicContact CG-CB 4.07Å; L574-R660 HydrophobicContact CG-CG 4.32Å; L574-L662 HydrophobicContact CD1-CD1 3.56Å
575	N	98.5	Very high	96.7	Very high	3 Å²	3	20.2 Å²	20.2	2%	0.016	13%	0.125	C	C	.	.			trans	58	10	169.2	-113.1	-67.1	0	0	0	117.1	H527 L528 S530 R538 D573 R577 C658	H527-N575 PolarHBondContact NE2-ND2 2.71Å; L528-N575 PolarHBondContact O-ND2 2.87Å; S530-N575 WeakPolarHBondContact CA-OD1 3.14Å; S530-N575 VanDerWaalsContact CB-CG 3.46Å; S530-N575 WeakPolarHBondContact CB-OD1 3.3Å; R538-N575 VanDerWaalsContact CZ-O 3.28Å; R538-N575 PolarHBondContact NE-O 3.16Å; R538-N575 PolarHBondContact NH1-O 3.2Å; D573-N575 PolarHBondContact O-N 2.91Å; D573-N575 VanDerWaalsContact OD1-CA 3.27Å; D573-N575 WeakPolarHBondContact OD1-CA 3.28Å; D573-N575 WeakPolarHBondContact OD1-CB 3.14Å; D573-N575 PolarHBondContact OD1-N 2.9Å; D573-N575 PolarHBondContact OD1-ND2 3.43Å; D573-N575 PolarHBondContact OD2-ND2 2.85Å; N575-R577 PolarHBondContact O-NE 3.41Å; N575-R577 VanDerWaalsContact O-NE 3.12Å; N575-R577 PolarHBondContact OD1-NE 3.15Å; N575-R577 PolarHBondContact OD1-NH2 2.88Å; N575-C658 PolarHBondContact N-O 2.65Å
576	Y	98.7	Very high	96.6	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.146	C	C	.	.			trans	-64.7	148.1	169.3	-68.2	-88	0	0	0	110.4	L528 R538 N539 L574 Q605 L606	L528-Y576 HydrophobicContact CD1-CE2 4.08Å; R538-Y576 HydrophobicContact CB-CE1 3.83Å; R538-Y576 HydrophobicContact CB-CE2 4.01Å; R538-Y576 WeakPolarHBondContact CB-OH 3.4Å; N539-Y576 PolarHBondContact OD1-OH 2.91Å; L574-Y576 HydrophobicContact CB-CD2 3.81Å; L574-Y576 HydrophobicContact CB-CE2 4.13Å; L574-Y576 WeakPolarHBondContact O-CD2 3.19Å; L574-Y576 PolarHBondContact O-N 3.28Å; Y576-Q605 HydrophobicContact CD1-CB 3.88Å; Y576-L606 HydrophobicContact CD1-CB 4.25Å; Y576-L606 HydrophobicContact CD2-CB 3.86Å; Y576-L606 HydrophobicContact CD2-CD1 4Å; Y576-L606 HydrophobicContact CD2-CD2 4.33Å; Y576-L606 HydrophobicContact CD2-CG 4.28Å; Y576-L606 HydrophobicContact CE2-CB 4.49Å; Y576-L606 HydrophobicContact CE2-CD1 3.8Å; Y576-L606 HydrophobicContact CG-CB 3.72Å
577	R	98.1	Very high	96.6	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.015	16%	0.163	C	C	.	.			trans	-124.1	163.3	-169.2	-54.2	-58	178.5	95.7	-13.9	111.6	N575 D579 Q605 N653 S656	N575-R577 PolarHBondContact O-NE 3.41Å; N575-R577 VanDerWaalsContact O-NE 3.12Å; N575-R577 PolarHBondContact OD1-NE 3.15Å; N575-R577 PolarHBondContact OD1-NH2 2.88Å; R577-D579 PolarHBondContact O-N 3.38Å; R577-Q605 WeakPolarHBondContact O-CB 3.44Å; R577-Q605 WeakPolarHBondContact O-CG 3.1Å; R577-Q605 PolarHBondContact O-N 3.33Å; R577-N653 PolarHBondContact NH1-OD1 2.89Å; R577-S656 WeakPolarHBondContact CA-OG 3.17Å; R577-S656 WeakPolarHBondContact CB-OG 3.34Å; R577-S656 WeakPolarHBondContact CD-OG 3.35Å
578	V	97.9	Very high	96.5	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.012	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-72.6	119.7	165.5	175.6	0	0	0	0	108.8	L580 R603 P655 S656 W657	V578-L580 VanDerWaalsContact C-N 3.31Å; V578-L580 HydrophobicContact CG1-CB 4.26Å; V578-L580 HydrophobicContact CG1-CD1 3.72Å; V578-L580 HydrophobicContact CG1-CG 3.9Å; V578-L580 PolarHBondContact O-N 2.98Å; V578-R603 CarbonylContact C-O 3.54Å; V578-R603 WeakPolarHBondContact CA-O 3.46Å; V578-R603 HydrophobicContact CG1-CB 4Å; V578-P655 WeakPolarHBondContact CG2-O 3.38Å; V578-S656 PolarHBondContact N-OG 3.4Å; V578-W657 HydrophobicContact CG2-CE3 4.09Å; V578-W657 HydrophobicContact CG2-CZ3 3.97Å
579	D	95.8	Very high	96.4	Very high	61 Å²	61	28.7 Å²	28.7	33%	0.326	17%	0.167	S	C	.	.			trans	-83.1	70.8	-176	-127.9	1.8	0	0	0	110.6	K535 R577 R603 Q605	K535-D579 IonicContact NZ-OD2 3.05Å; K535-D579 PolarHBondContact NZ-OD2 3.22Å; R577-D579 PolarHBondContact O-N 3.38Å; D579-R603 PolarHBondContact N-O 3.03Å; D579-Q605 HydrophobicContact CB-CG 3.87Å; D579-Q605 PolarHBondContact OD1-NE2 3.48Å; D579-Q605 PolarHBondContact OD2-NE2 3.3Å
580	L	95	Very high	96.3	Very high	43 Å²	43	31.5 Å²	31.5	23%	0.225	18%	0.184	C	C	.	.			trans	-128.5	155.4	177.2	-75.7	175.4	0	0	0	112.2	V578 I588 L600 R603 L654	V578-L580 VanDerWaalsContact C-N 3.31Å; V578-L580 HydrophobicContact CG1-CB 4.26Å; V578-L580 HydrophobicContact CG1-CD1 3.72Å; V578-L580 HydrophobicContact CG1-CG 3.9Å; V578-L580 PolarHBondContact O-N 2.98Å; L580-I588 HydrophobicContact CB-CD1 4.05Å; L580-I588 HydrophobicContact CD1-CD1 3.76Å; L580-I588 HydrophobicContact CD1-CG1 3.78Å; L580-L600 HydrophobicContact CD1-CD2 4.03Å; L580-R603 HydrophobicContact CD2-CG 4.07Å; L580-R603 HydrophobicContact CG-CB 4.3Å; L580-R603 HydrophobicContact CG-CG 4.16Å; L580-L654 HydrophobicContact CB-CD1 4.27Å; L580-L654 WeakPolarHBondContact O-CD1 3.39Å
581	P	93.4	Very high	96.2	Very high	71 Å²	71	33.7 Å²	33.7	46%	0.461	19%	0.194	S	C	.	.			trans	-60	151	173.6	-24.5	35.8	0	0	0	113.6	S583 D584	P581-S583 WeakPolarHBondContact CB-OG 3.34Å; P581-S583 PolarHBondContact O-N 2.8Å; P581-D584 WeakPolarHBondContact O-CB 3.05Å; P581-D584 PolarHBondContact O-N 3.21Å; P581-D584 VanDerWaalsContact O-N 3.09Å
582	S	90.3	Very high	96.2	Very high	63 Å²	63	34.3 Å²	34.3	44%	0.441	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-67	-17.7	177.9	51.2	0	0	0	0	114.5	D584	S582-D584 PolarHBondContact O-N 3.2Å
583	S	92.4	Very high	96	Very high	97 Å²	97	41.4 Å²	41.4	68%	0.678	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-61.5	-27.7	170.4	43	0	0	0	0	113	P581 A585	P581-S583 WeakPolarHBondContact CB-OG 3.34Å; P581-S583 PolarHBondContact O-N 2.8Å; S583-A585 VanDerWaalsContact C-N 3.26Å; S583-A585 PolarHBondContact O-N 3.28Å
584	D	93.6	Very high	95.9	Very high	47 Å²	47	46.7 Å²	46.7	25%	0.251	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-89.4	5.1	-165.4	-59.8	17.2	0	0	0	111.8	P581 S582 E586 N587 I588	P581-D584 WeakPolarHBondContact O-CB 3.05Å; P581-D584 PolarHBondContact O-N 3.21Å; P581-D584 VanDerWaalsContact O-N 3.09Å; S582-D584 PolarHBondContact O-N 3.2Å; D584-E586 PolarHBondContact O-N 2.92Å; D584-N587 WeakPolarHBondContact O-CA 3.36Å; D584-N587 WeakPolarHBondContact O-CB 3.13Å; D584-N587 PolarHBondContact O-N 3.5Å; D584-I588 HydrophobicContact CB-CD1 4.25Å; D584-I588 HydrophobicContact CB-CG1 4.49Å; D584-I588 WeakPolarHBondContact O-CG1 3.28Å; D584-I588 PolarHBondContact O-N 3.21Å
585	A	93.8	Very high	95.8	Very high	3 Å²	3	53.6 Å²	53.6	3%	0.025	29%	0.285	C	S	.	.	H	α-helix	trans	-54.5	-45.3	-173	0	0	0	0	0	113.8	S583 I588 V589 Y642 L654	S583-A585 VanDerWaalsContact C-N 3.26Å; S583-A585 PolarHBondContact O-N 3.28Å; A585-I588 PolarHBondContact O-N 2.77Å; A585-V589 WeakPolarHBondContact O-CG2 3.28Å; A585-V589 PolarHBondContact O-N 3.49Å; A585-Y642 HydrophobicContact CB-CD1 4.32Å; A585-Y642 HydrophobicContact CB-CD2 3.58Å; A585-Y642 HydrophobicContact CB-CE1 4.18Å; A585-Y642 HydrophobicContact CB-CE2 3.43Å; A585-Y642 VanDerWaalsContact CB-CE2 3.43Å; A585-Y642 HydrophobicContact CB-CG 4.06Å; A585-L654 HydrophobicContact CB-CD2 3.63Å
586	E	94.3	Very high	95.7	Very high	104 Å²	104	57.7 Å²	57.7	49%	0.486	30%	0.304	S	S	.	.	H	α-helix	trans	-71.8	-29.6	177.1	-71.3	-58.6	147.3	0	0	112.8	D584 T590 Y642	D584-E586 PolarHBondContact O-N 2.92Å; E586-T590 VanDerWaalsContact O-CB 3.29Å; E586-T590 WeakPolarHBondContact O-CB 3.25Å; E586-T590 PolarHBondContact O-N 3.28Å; E586-T590 PolarHBondContact O-OG1 3.42Å; E586-Y642 WeakPolarHBondContact OE1-CE1 3.22Å; E586-Y642 PolarHBondContact OE1-OH 2.95Å
587	N	96	Very high	95.6	Very high	86 Å²	86	58.9 Å²	58.9	46%	0.46	31%	0.308	S	S	.	.	H	α-helix	trans	-67.3	-45.4	172.3	-173.2	-11.9	0	0	0	110	D584 V589 T590 K591	D584-N587 WeakPolarHBondContact O-CA 3.36Å; D584-N587 WeakPolarHBondContact O-CB 3.13Å; D584-N587 PolarHBondContact O-N 3.5Å; N587-V589 PolarHBondContact O-N 3Å; N587-T590 WeakPolarHBondContact O-CB 3.45Å; N587-T590 PolarHBondContact O-N 3.23Å; N587-T590 VanDerWaalsContact O-N 3.15Å; N587-K591 PolarHBondContact O-N 3.46Å; N587-K591 WeakPolarHBondContact OD1-CE 3.34Å
588	I	97	Very high	95.4	Very high	2 Å²	2	63.8 Å²	63.8	1%	0.01	33%	0.331	C	S	.	.	H	α-helix	trans	-58.4	-49.3	174.4	-65	163.7	0	0	0	110.6	L580 D584 A585 T590 K591 I592 L600 L654 P655	L580-I588 HydrophobicContact CB-CD1 4.05Å; L580-I588 HydrophobicContact CD1-CD1 3.76Å; L580-I588 HydrophobicContact CD1-CG1 3.78Å; D584-I588 HydrophobicContact CB-CD1 4.25Å; D584-I588 HydrophobicContact CB-CG1 4.49Å; D584-I588 WeakPolarHBondContact O-CG1 3.28Å; D584-I588 PolarHBondContact O-N 3.21Å; A585-I588 PolarHBondContact O-N 2.77Å; I588-T590 VanDerWaalsContact C-N 3.29Å; I588-T590 PolarHBondContact O-N 3.04Å; I588-K591 PolarHBondContact O-N 2.96Å; I588-I592 HydrophobicContact CG2-CD1 3.82Å; I588-I592 WeakPolarHBondContact O-CD1 3.26Å; I588-I592 VanDerWaalsContact O-CG1 3.22Å; I588-I592 WeakPolarHBondContact O-CG1 3.42Å; I588-I592 PolarHBondContact O-N 2.95Å; I588-L600 HydrophobicContact CB-CD2 4.31Å; I588-L600 HydrophobicContact CG1-CD2 3.89Å; I588-L600 HydrophobicContact CG2-CD1 4.06Å; I588-L600 HydrophobicContact CG2-CD2 4.12Å; I588-L654 HydrophobicContact CD1-CB 4.31Å; I588-L654 HydrophobicContact CD1-CD1 3.84Å; I588-L654 HydrophobicContact CD1-CD2 4.17Å; I588-L654 HydrophobicContact CD1-CG 4.33Å; I588-P655 HydrophobicContact CG2-CB 3.94Å; I588-P655 HydrophobicContact CG2-CG 3.88Å
589	V	96.8	Very high	95.2	Very high	13 Å²	13	67.7 Å²	67.7	8%	0.079	35%	0.352	C	S	.	.	H	α-helix	trans	-61.6	-36.7	176	170.4	0	0	0	0	111.9	A585 N587 I592 K593 Y640 Y642 P655	A585-V589 WeakPolarHBondContact O-CG2 3.28Å; A585-V589 PolarHBondContact O-N 3.49Å; N587-V589 PolarHBondContact O-N 3Å; V589-I592 PolarHBondContact O-N 2.97Å; V589-K593 HydrophobicContact CG1-CD 4.25Å; V589-K593 WeakPolarHBondContact O-CG 3.21Å; V589-K593 PolarHBondContact O-N 3.46Å; V589-Y640 HydrophobicContact CG2-CD2 4.34Å; V589-Y642 HydrophobicContact CG2-CD1 4.25Å; V589-Y642 HydrophobicContact CG2-CE1 4.36Å; V589-P655 HydrophobicContact CG2-CG 4.24Å
590	T	96.9	Very high	95.3	Very high	61 Å²	61	65 Å²	65	37%	0.374	34%	0.338	S	S	.	.	H	α-helix	trans	-64.5	-47.2	175.1	-61.3	0	0	0	0	111.5	E586 N587 I588 I592 K593 Q594	E586-T590 VanDerWaalsContact O-CB 3.29Å; E586-T590 WeakPolarHBondContact O-CB 3.25Å; E586-T590 PolarHBondContact O-N 3.28Å; E586-T590 PolarHBondContact O-OG1 3.42Å; N587-T590 WeakPolarHBondContact O-CB 3.45Å; N587-T590 PolarHBondContact O-N 3.23Å; N587-T590 VanDerWaalsContact O-N 3.15Å; I588-T590 VanDerWaalsContact C-N 3.29Å; I588-T590 PolarHBondContact O-N 3.04Å; T590-I592 VanDerWaalsContact C-N 3.33Å; T590-I592 PolarHBondContact O-N 2.79Å; T590-K593 PolarHBondContact O-N 2.98Å; T590-Q594 WeakPolarHBondContact O-CG 3.42Å; T590-Q594 PolarHBondContact O-N 3.08Å
591	K	96.9	Very high	95.4	Very high	46 Å²	46	64.3 Å²	64.3	20%	0.2	33%	0.334	C	S	.	.	H	α-helix	trans	-62.3	-37.7	176.1	-71.2	-167.1	-179.3	-168.1	0	112.7	N587 I588 Q594 Q595 Q596 D599 L600	N587-K591 PolarHBondContact O-N 3.46Å; N587-K591 WeakPolarHBondContact OD1-CE 3.34Å; I588-K591 PolarHBondContact O-N 2.96Å; K591-Q594 CarbonylContact O-C 3.59Å; K591-Q594 PolarHBondContact O-N 2.71Å; K591-Q595 PolarHBondContact O-N 3.32Å; K591-Q596 HydrophobicContact CB-CB 4.14Å; K591-Q596 HydrophobicContact CG-CB 4.42Å; K591-Q596 PolarHBondContact O-N 3.12Å; K591-D599 HydrophobicContact CD-CB 4.09Å; K591-D599 IonicContact NZ-OD2 3.34Å; K591-D599 PolarHBondContact NZ-OD2 3.46Å; K591-L600 HydrophobicContact CB-CD1 4.16Å; K591-L600 HydrophobicContact CB-CG 4.45Å; K591-L600 HydrophobicContact CD-CD2 4.4Å
592	I	97.4	Very high	95.6	Very high	13 Å²	13	64.5 Å²	64.5	7%	0.067	34%	0.337	C	S	.	.	H	α-helix	trans	-62.8	-45.8	174.7	-66.6	161.8	0	0	0	111	I588 V589 T590 Q594 Q595 Y597 L600 P627 P628 Y640 P655	I588-I592 HydrophobicContact CG2-CD1 3.82Å; I588-I592 WeakPolarHBondContact O-CD1 3.26Å; I588-I592 VanDerWaalsContact O-CG1 3.22Å; I588-I592 WeakPolarHBondContact O-CG1 3.42Å; I588-I592 PolarHBondContact O-N 2.95Å; V589-I592 PolarHBondContact O-N 2.97Å; T590-I592 VanDerWaalsContact C-N 3.33Å; T590-I592 PolarHBondContact O-N 2.79Å; I592-Q594 PolarHBondContact O-N 3.43Å; I592-Q595 PolarHBondContact O-N 3.34Å; I592-Y597 HydrophobicContact CG2-CE1 4.31Å; I592-L600 HydrophobicContact CD1-CD1 4.37Å; I592-L600 HydrophobicContact CG1-CD1 3.76Å; I592-P627 HydrophobicContact CG2-CB 3.79Å; I592-P628 HydrophobicContact CD1-CG 3.68Å; I592-P628 HydrophobicContact CG1-CG 4.02Å; I592-Y640 HydrophobicContact CD1-CE2 4.03Å; I592-Y640 HydrophobicContact CG2-CE2 3.9Å; I592-P655 HydrophobicContact CD1-CB 3.49Å; I592-P655 VanDerWaalsContact CD1-CB 3.49Å; I592-P655 HydrophobicContact CD1-CG 3.92Å
593	K	95.8	Very high	95.9	Very high	150 Å²	150	67.2 Å²	67.2	65%	0.652	34%	0.338	S	S	*	.	H	α-helix	trans	-62.4	-31.5	175.1	-72.3	171.7	178.7	176	0	112.8	V589 T590 Q595	V589-K593 HydrophobicContact CG1-CD 4.25Å; V589-K593 WeakPolarHBondContact O-CG 3.21Å; V589-K593 PolarHBondContact O-N 3.46Å; T590-K593 PolarHBondContact O-N 2.98Å; K593-Q595 VanDerWaalsContact C-N 3.3Å
594	Q	96.6	Very high	96.2	Very high	112 Å²	112	62.7 Å²	62.7	52%	0.523	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	2.4	174.6	-66.6	173.9	-2.9	0	0	113.7	T590 K591 I592 Q596	T590-Q594 WeakPolarHBondContact O-CG 3.42Å; T590-Q594 PolarHBondContact O-N 3.08Å; K591-Q594 CarbonylContact O-C 3.59Å; K591-Q594 PolarHBondContact O-N 2.71Å; I592-Q594 PolarHBondContact O-N 3.43Å; Q594-Q596 HydrophobicContact CB-CG 4Å; Q594-Q596 PolarHBondContact O-N 3.19Å
595	Q	95.8	Very high	96.5	Very high	144 Å²	144	60.5 Å²	60.5	67%	0.673	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	21.6	-175.9	-49.6	-173.4	14	0	0	114.7	K591 I592 K593 Y597	K591-Q595 PolarHBondContact O-N 3.32Å; I592-Q595 PolarHBondContact O-N 3.34Å; K593-Q595 VanDerWaalsContact C-N 3.3Å; Q595-Y597 HydrophobicContact CB-CE1 4.47Å; Q595-Y597 HydrophobicContact CB-CE2 4.21Å; Q595-Y597 PolarHBondContact O-N 2.96Å
596	Q	96.3	Very high	96.7	Very high	89 Å²	89	60.4 Å²	60.4	42%	0.416	29%	0.293	S	S	.	.			trans	-81.1	59.3	179	-67.2	-178	-8.9	0	0	111.4	K591 Q594 Q598	K591-Q596 HydrophobicContact CB-CB 4.14Å; K591-Q596 HydrophobicContact CG-CB 4.42Å; K591-Q596 PolarHBondContact O-N 3.12Å; Q594-Q596 HydrophobicContact CB-CG 4Å; Q594-Q596 PolarHBondContact O-N 3.19Å; Q596-Q598 PolarHBondContact O-N 2.99Å
597	Y	97.3	Very high	96.9	Very high	25 Å²	25	56.3 Å²	56.3	10%	0.098	28%	0.279	C	S	.	.	H	α-helix	trans	-69.7	-32.5	-173.4	-52.4	-40.6	0	0	0	113.3	I592 Q595 D599 L600 L601 T625 P627 W657	I592-Y597 HydrophobicContact CG2-CE1 4.31Å; Q595-Y597 HydrophobicContact CB-CE1 4.47Å; Q595-Y597 HydrophobicContact CB-CE2 4.21Å; Q595-Y597 PolarHBondContact O-N 2.96Å; Y597-D599 VanDerWaalsContact C-N 3.34Å; Y597-D599 PolarHBondContact O-N 2.6Å; Y597-L600 CarbonylContact O-C 3.5Å; Y597-L600 WeakPolarHBondContact O-CA 3.39Å; Y597-L600 WeakPolarHBondContact O-CB 3.42Å; Y597-L600 PolarHBondContact O-N 3Å; Y597-L601 WeakPolarHBondContact O-CG 3.45Å; Y597-L601 PolarHBondContact O-N 2.93Å; Y597-T625 WeakPolarHBondContact CE2-O 3.26Å; Y597-P627 HydrophobicContact CE1-CB 3.78Å; Y597-W657 HydrophobicContact CD1-CZ2 4.21Å; Y597-W657 HydrophobicContact CG-CZ2 4.18Å
598	Q	95	Very high	97	Very high	107 Å²	107	54.3 Å²	54.3	50%	0.5	27%	0.268	S	S	.	.	H	α-helix	trans	-58.7	-40.3	-174.4	-67	-64.9	-7.6	0	0	113.3	Q596 L600 L601 S602 E623	Q596-Q598 PolarHBondContact O-N 2.99Å; Q598-L600 VanDerWaalsContact C-N 3.25Å; Q598-L600 PolarHBondContact O-N 2.86Å; Q598-L601 PolarHBondContact O-N 3.39Å; Q598-S602 PolarHBondContact O-N 2.97Å; Q598-E623 PolarHBondContact NE2-OE1 3.02Å
599	D	92.5	Very high	97	Very high	85 Å²	85	54.7 Å²	54.7	46%	0.455	27%	0.27	S	S	.	.	H	α-helix	trans	-57.5	-38.3	173.8	-79.7	26.3	0	0	0	112.6	K591 Y597 S602	K591-D599 HydrophobicContact CD-CB 4.09Å; K591-D599 IonicContact NZ-OD2 3.34Å; K591-D599 PolarHBondContact NZ-OD2 3.46Å; Y597-D599 VanDerWaalsContact C-N 3.34Å; Y597-D599 PolarHBondContact O-N 2.6Å; D599-S602 PolarHBondContact O-OG 2.88Å
600	L	97.6	Very high	97	Very high	4 Å²	4	56.7 Å²	56.7	2%	0.021	28%	0.276	C	S	.	.	H	α-helix	trans	-81.8	-35.4	-179.3	-58.2	175.5	0	0	0	111.5	L580 I588 K591 I592 Y597 Q598 S602 R603 D604 W657	L580-L600 HydrophobicContact CD1-CD2 4.03Å; I588-L600 HydrophobicContact CB-CD2 4.31Å; I588-L600 HydrophobicContact CG1-CD2 3.89Å; I588-L600 HydrophobicContact CG2-CD1 4.06Å; I588-L600 HydrophobicContact CG2-CD2 4.12Å; K591-L600 HydrophobicContact CB-CD1 4.16Å; K591-L600 HydrophobicContact CB-CG 4.45Å; K591-L600 HydrophobicContact CD-CD2 4.4Å; I592-L600 HydrophobicContact CD1-CD1 4.37Å; I592-L600 HydrophobicContact CG1-CD1 3.76Å; Y597-L600 CarbonylContact O-C 3.5Å; Y597-L600 WeakPolarHBondContact O-CA 3.39Å; Y597-L600 WeakPolarHBondContact O-CB 3.42Å; Y597-L600 PolarHBondContact O-N 3Å; Q598-L600 VanDerWaalsContact C-N 3.25Å; Q598-L600 PolarHBondContact O-N 2.86Å; L600-S602 VanDerWaalsContact C-N 3.28Å; L600-S602 PolarHBondContact O-N 3.46Å; L600-R603 CarbonylContact O-C 3.56Å; L600-R603 WeakPolarHBondContact O-CA 3.29Å; L600-R603 PolarHBondContact O-N 3.13Å; L600-D604 PolarHBondContact O-N 3.1Å; L600-W657 HydrophobicContact CB-CH2 3.79Å; L600-W657 HydrophobicContact CB-CZ3 3.79Å; L600-W657 HydrophobicContact CD1-CH2 4.41Å
601	L	97.9	Very high	97	Very high	29 Å²	29	59.7 Å²	59.7	15%	0.152	29%	0.289	C	S	.	.	H	α-helix	trans	-65.3	-30.6	173.4	-69.7	168.1	0	0	0	111.8	Y597 Q598 R603 D604 I624 W657	Y597-L601 WeakPolarHBondContact O-CG 3.45Å; Y597-L601 PolarHBondContact O-N 2.93Å; Q598-L601 PolarHBondContact O-N 3.39Å; L601-R603 PolarHBondContact O-N 2.87Å; L601-D604 WeakPolarHBondContact O-CB 3.41Å; L601-D604 PolarHBondContact O-N 3.48Å; L601-I624 HydrophobicContact CD1-CB 4.07Å; L601-I624 HydrophobicContact CD1-CG2 4.28Å; L601-I624 WeakPolarHBondContact CD1-O 3.48Å; L601-I624 HydrophobicContact CD2-CB 4Å; L601-I624 HydrophobicContact CD2-CD1 4.01Å; L601-I624 HydrophobicContact CD2-CG2 3.94Å; L601-W657 HydrophobicContact CD2-CD2 3.91Å; L601-W657 HydrophobicContact CD2-CE3 3.66Å; L601-W657 HydrophobicContact CD2-CH2 3.85Å; L601-W657 HydrophobicContact CD2-CZ2 4.09Å; L601-W657 HydrophobicContact CD2-CZ3 3.63Å; L601-W657 HydrophobicContact CG-CE3 4.43Å; L601-W657 HydrophobicContact CG-CH2 3.77Å; L601-W657 HydrophobicContact CG-CZ2 4.23Å; L601-W657 HydrophobicContact CG-CZ3 3.89Å
602	S	96.9	Very high	96.9	Very high	74 Å²	74	62 Å²	62	52%	0.517	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-17.1	168.7	85.5	0	0	0	0	113.6	Q598 D599 L600	Q598-S602 PolarHBondContact O-N 2.97Å; D599-S602 PolarHBondContact O-OG 2.88Å; L600-S602 VanDerWaalsContact C-N 3.28Å; L600-S602 PolarHBondContact O-N 3.46Å
603	R	97.8	Very high	96.7	Very high	121 Å²	121	62.7 Å²	62.7	46%	0.457	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.5	7.3	177	-55.8	-56	-179.1	110.1	-3.5	113.2	V578 D579 L580 L600 L601 Q605	V578-R603 CarbonylContact C-O 3.54Å; V578-R603 WeakPolarHBondContact CA-O 3.46Å; V578-R603 HydrophobicContact CG1-CB 4Å; D579-R603 PolarHBondContact N-O 3.03Å; L580-R603 HydrophobicContact CD2-CG 4.07Å; L580-R603 HydrophobicContact CG-CB 4.3Å; L580-R603 HydrophobicContact CG-CG 4.16Å; L600-R603 CarbonylContact O-C 3.56Å; L600-R603 WeakPolarHBondContact O-CA 3.29Å; L600-R603 PolarHBondContact O-N 3.13Å; L601-R603 PolarHBondContact O-N 2.87Å; R603-Q605 PolarHBondContact O-N 2.92Å
604	D	98.4	Very high	96.7	Very high	2 Å²	2	60 Å²	60	1%	0.011	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-67.5	119.1	173.6	174	52.5	0	0	0	110.3	L600 L601 L606 G607 I608 R660	L600-D604 PolarHBondContact O-N 3.1Å; L601-D604 WeakPolarHBondContact O-CB 3.41Å; L601-D604 PolarHBondContact O-N 3.48Å; D604-L606 PolarHBondContact O-N 3.45Å; D604-L606 WeakPolarHBondContact OD2-CB 3.43Å; D604-L606 PolarHBondContact OD2-N 2.83Å; D604-G607 PolarHBondContact O-N 3Å; D604-G607 PolarHBondContact OD2-N 3.46Å; D604-I608 WeakPolarHBondContact O-CG1 3.39Å; D604-I608 PolarHBondContact O-N 2.97Å; D604-R660 VanDerWaalsContact CG-NH1 3.26Å; D604-R660 IonicContact OD1-NH1 3.86Å; D604-R660 PolarHBondContact OD1-NH1 2.77Å; D604-R660 IonicContact OD2-CZ 3.55Å; D604-R660 IonicContact OD2-NH1 2.75Å; D604-R660 PolarHBondContact OD2-NH1 3.3Å; D604-R660 IonicContact OD2-NH2 2.74Å; D604-R660 PolarHBondContact OD2-NH2 2.76Å
605	Q	98.7	Very high	96.7	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-61.6	-28	-178.1	-73.1	172.2	-9.7	0	0	112.9	S532 K535 Y576 R577 D579 R603 E609	S532-Q605 PolarHBondContact O-NE2 3.23Å; K535-Q605 HydrophobicContact CD-CB 4.35Å; K535-Q605 HydrophobicContact CD-CG 3.9Å; Y576-Q605 HydrophobicContact CD1-CB 3.88Å; R577-Q605 WeakPolarHBondContact O-CB 3.44Å; R577-Q605 WeakPolarHBondContact O-CG 3.1Å; R577-Q605 PolarHBondContact O-N 3.33Å; D579-Q605 HydrophobicContact CB-CG 3.87Å; D579-Q605 PolarHBondContact OD1-NE2 3.48Å; D579-Q605 PolarHBondContact OD2-NE2 3.3Å; R603-Q605 PolarHBondContact O-N 2.92Å; Q605-E609 WeakPolarHBondContact O-CB 3.13Å; Q605-E609 WeakPolarHBondContact O-CG 3.44Å; Q605-E609 PolarHBondContact O-N 3.02Å
606	L	98.7	Very high	96.8	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-72.6	-44.6	175.9	-179.9	57	0	0	0	111.2	L574 Y576 D604 I608 E609 R610 V615 F616 R660 L662	L574-L606 HydrophobicContact CD1-CD2 3.83Å; Y576-L606 HydrophobicContact CD1-CB 4.25Å; Y576-L606 HydrophobicContact CD2-CB 3.86Å; Y576-L606 HydrophobicContact CD2-CD1 4Å; Y576-L606 HydrophobicContact CD2-CD2 4.33Å; Y576-L606 HydrophobicContact CD2-CG 4.28Å; Y576-L606 HydrophobicContact CE2-CB 4.49Å; Y576-L606 HydrophobicContact CE2-CD1 3.8Å; Y576-L606 HydrophobicContact CG-CB 3.72Å; D604-L606 PolarHBondContact O-N 3.45Å; D604-L606 WeakPolarHBondContact OD2-CB 3.43Å; D604-L606 PolarHBondContact OD2-N 2.83Å; L606-I608 PolarHBondContact O-N 3.09Å; L606-E609 PolarHBondContact O-N 2.9Å; L606-R610 HydrophobicContact CD1-CG 3.98Å; L606-R610 HydrophobicContact CG-CG 4.49Å; L606-R610 VanDerWaalsContact O-CB 3.27Å; L606-R610 WeakPolarHBondContact O-CB 3.22Å; L606-R610 VanDerWaalsContact O-CG 3.3Å; L606-R610 WeakPolarHBondContact O-CG 3.48Å; L606-R610 PolarHBondContact O-N 2.92Å; L606-V615 HydrophobicContact CD1-CG2 4.12Å; L606-F616 HydrophobicContact CD1-CD2 3.73Å; L606-F616 HydrophobicContact CD1-CE2 4.11Å; L606-R660 HydrophobicContact CD2-CB 4.49Å; L606-R660 HydrophobicContact CD2-CG 4.06Å; L606-L662 HydrophobicContact CD2-CD1 4.17Å; L606-L662 HydrophobicContact CD2-CD2 4.38Å
607	G	97.7	Very high	96.8	Very high	18 Å²	18	45.2 Å²	45.2	19%	0.186	24%	0.235	C	C	.	.	H	α-helix	trans	-56.9	-45.8	172.8	0	0	0	0	0	112.7	D604 N611	D604-G607 PolarHBondContact O-N 3Å; D604-G607 PolarHBondContact OD2-N 3.46Å; G607-N611 WeakPolarHBondContact O-CB 3.44Å; G607-N611 VanDerWaalsContact O-CG 3.25Å; G607-N611 PolarHBondContact O-N 2.84Å; G607-N611 PolarHBondContact O-ND2 2.83Å; G607-N611 VanDerWaalsContact O-ND2 3.1Å
608	I	98.2	Very high	96.6	Very high	45 Å²	45	46.3 Å²	46.3	23%	0.231	24%	0.24	C	C	.	.	H	α-helix	trans	-62.3	-55.3	177	-66.2	165.7	0	0	0	111.1	D604 L606 R610 N611 D612	D604-I608 WeakPolarHBondContact O-CG1 3.39Å; D604-I608 PolarHBondContact O-N 2.97Å; L606-I608 PolarHBondContact O-N 3.09Å; I608-R610 PolarHBondContact O-N 2.87Å; I608-N611 PolarHBondContact O-N 3.4Å; I608-N611 VanDerWaalsContact O-N 3.08Å; I608-D612 PolarHBondContact O-N 2.76Å
609	E	98	Very high	96.8	Very high	10 Å²	10	41.7 Å²	41.7	5%	0.047	22%	0.219	C	C	.	.	H	α-helix	trans	-70.5	-21.2	-173.3	-57.9	-84.5	120.7	0	0	112.3	K535 N539 Q605 L606 G613 K614 V615	K535-E609 HydrophobicContact CD-CG 4.32Å; K535-E609 IonicContact NZ-OE1 2.7Å; N539-E609 PolarHBondContact ND2-OE2 2.95Å; Q605-E609 WeakPolarHBondContact O-CB 3.13Å; Q605-E609 WeakPolarHBondContact O-CG 3.44Å; Q605-E609 PolarHBondContact O-N 3.02Å; L606-E609 PolarHBondContact O-N 2.9Å; E609-G613 PolarHBondContact O-N 3Å; E609-K614 HydrophobicContact CB-CD 4.28Å; E609-K614 VanDerWaalsContact CD-CD 3.5Å; E609-K614 HydrophobicContact CG-CD 4.46Å; E609-K614 WeakPolarHBondContact O-CB 3.37Å; E609-K614 PolarHBondContact O-N 3.25Å; E609-K614 IonicContact OE1-NZ 3.47Å; E609-K614 PolarHBondContact OE1-NZ 3.28Å; E609-K614 WeakPolarHBondContact OE2-CD 3.27Å; E609-K614 IonicContact OE2-NZ 2.67Å; E609-V615 HydrophobicContact CB-CG2 3.84Å; E609-V615 PolarHBondContact O-N 3.36Å
610	R	97.3	Very high	97	Very high	54 Å²	54	42.5 Å²	42.5	20%	0.204	22%	0.22	C	C	.	.	H	α-helix	trans	-72.5	-44.9	166.3	-80.4	171	67.5	-150.2	1.4	112.9	L606 I608 D612 G613 V615 F616 F619 E621	L606-R610 HydrophobicContact CD1-CG 3.98Å; L606-R610 HydrophobicContact CG-CG 4.49Å; L606-R610 VanDerWaalsContact O-CB 3.27Å; L606-R610 WeakPolarHBondContact O-CB 3.22Å; L606-R610 VanDerWaalsContact O-CG 3.3Å; L606-R610 WeakPolarHBondContact O-CG 3.48Å; L606-R610 PolarHBondContact O-N 2.92Å; I608-R610 PolarHBondContact O-N 2.87Å; R610-D612 VanDerWaalsContact C-N 3.26Å; R610-D612 PolarHBondContact O-N 2.75Å; R610-G613 WeakPolarHBondContact O-CA 3.35Å; R610-G613 PolarHBondContact O-N 3.25Å; R610-V615 HydrophobicContact CG-CG2 4.2Å; R610-V615 WeakPolarHBondContact CG-O 3.34Å; R610-F616 HydrophobicContact CG-CB 3.87Å; R610-F619 PolarHBondContact NH2-O 2.87Å; R610-E621 VanDerWaalsContact NH1-CB 3.27Å; R610-E621 IonicContact NH1-OE2 3.88Å; R610-E621 PolarHBondContact NH1-OE2 3.24Å
611	N	95.5	Very high	97.1	Very high	124 Å²	124	44.2 Å²	44.2	66%	0.663	23%	0.227	S	C	*	.	H	α-helix	trans	-63.9	-34.3	177.7	-77.4	-32.7	0	0	0	112.1	G607 I608 G613	G607-N611 WeakPolarHBondContact O-CB 3.44Å; G607-N611 VanDerWaalsContact O-CG 3.25Å; G607-N611 PolarHBondContact O-N 2.84Å; G607-N611 PolarHBondContact O-ND2 2.83Å; G607-N611 VanDerWaalsContact O-ND2 3.1Å; I608-N611 PolarHBondContact O-N 3.4Å; I608-N611 VanDerWaalsContact O-N 3.08Å; N611-G613 PolarHBondContact O-N 3.35Å
612	D	95.6	Very high	97.1	Very high	94 Å²	94	45.6 Å²	45.6	50%	0.503	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-3.9	172	-65.6	-14.1	0	0	0	113.5	I608 R610 K614	I608-D612 PolarHBondContact O-N 2.76Å; R610-D612 VanDerWaalsContact C-N 3.26Å; R610-D612 PolarHBondContact O-N 2.75Å; D612-K614 VanDerWaalsContact C-N 3.32Å; D612-K614 HydrophobicContact CB-CD 3.85Å; D612-K614 HydrophobicContact CB-CG 3.93Å; D612-K614 PolarHBondContact O-N 2.96Å; D612-K614 WeakPolarHBondContact OD2-CE 3.35Å; D612-K614 IonicContact OD2-NZ 2.69Å; D612-K614 PolarHBondContact OD2-NZ 3.45Å
613	G	93.8	Very high	97.1	Very high	28 Å²	28	47.4 Å²	47.4	29%	0.289	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	13.3	178.5	0	0	0	0	0	115.9	E609 R610 N611	E609-G613 PolarHBondContact O-N 3Å; R610-G613 WeakPolarHBondContact O-CA 3.35Å; R610-G613 PolarHBondContact O-N 3.25Å; N611-G613 PolarHBondContact O-N 3.35Å
614	K	95.1	Very high	97.1	Very high	95 Å²	95	42.2 Å²	42.2	41%	0.413	22%	0.215	S	C	.	.	S	Bend	trans	-82.7	-23.6	-173	-58.4	164	178.9	155.3	0	114.1	E609 D612	E609-K614 HydrophobicContact CB-CD 4.28Å; E609-K614 VanDerWaalsContact CD-CD 3.5Å; E609-K614 HydrophobicContact CG-CD 4.46Å; E609-K614 WeakPolarHBondContact O-CB 3.37Å; E609-K614 PolarHBondContact O-N 3.25Å; E609-K614 IonicContact OE1-NZ 3.47Å; E609-K614 PolarHBondContact OE1-NZ 3.28Å; E609-K614 WeakPolarHBondContact OE2-CD 3.27Å; E609-K614 IonicContact OE2-NZ 2.67Å; D612-K614 VanDerWaalsContact C-N 3.32Å; D612-K614 HydrophobicContact CB-CD 3.85Å; D612-K614 HydrophobicContact CB-CG 3.93Å; D612-K614 PolarHBondContact O-N 2.96Å; D612-K614 WeakPolarHBondContact OD2-CE 3.35Å; D612-K614 IonicContact OD2-NZ 2.69Å; D612-K614 PolarHBondContact OD2-NZ 3.45Å
615	V	97.6	Very high	97.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.23	C	C	.	.	S	Bend	trans	-148.6	154.7	-178.2	-66.5	0	0	0	0	110.3	N539 Y542 L606 E609 R610 L617	N539-V615 HydrophobicContact CB-CG1 3.5Å; Y542-V615 HydrophobicContact CD1-CB 4.11Å; Y542-V615 HydrophobicContact CD1-CG1 4.04Å; Y542-V615 HydrophobicContact CE1-CB 4.43Å; Y542-V615 HydrophobicContact CG-CB 4.46Å; Y542-V615 HydrophobicContact CG-CG1 4.44Å; L606-V615 HydrophobicContact CD1-CG2 4.12Å; E609-V615 HydrophobicContact CB-CG2 3.84Å; E609-V615 PolarHBondContact O-N 3.36Å; R610-V615 HydrophobicContact CG-CG2 4.2Å; R610-V615 WeakPolarHBondContact CG-O 3.34Å; V615-L617 PolarHBondContact O-N 2.94Å; V615-L617 VanDerWaalsContact O-N 3.14Å
616	F	97.6	Very high	97.1	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.009	23%	0.23	C	C	.	.	S	Bend	trans	50.5	40.5	173.6	-67.7	-79.2	0	0	0	113.5	Y542 W570 L574 L606 R610 H618 F619 L662	Y542-F616 HydrophobicContact CD2-CD1 4.03Å; Y542-F616 HydrophobicContact CD2-CD2 4.02Å; Y542-F616 AromaticContact CD2-CE1 3.77Å; Y542-F616 HydrophobicContact CD2-CE1 3.77Å; Y542-F616 AromaticContact CD2-CE2 3.76Å; Y542-F616 HydrophobicContact CD2-CE2 3.76Å; Y542-F616 HydrophobicContact CD2-CG 4.15Å; Y542-F616 AromaticContact CD2-CZ 3.63Å; Y542-F616 HydrophobicContact CD2-CZ 3.63Å; Y542-F616 AromaticContact CE2-CD1 3.6Å; Y542-F616 HydrophobicContact CE2-CD1 3.6Å; Y542-F616 HydrophobicContact CE2-CD2 4.18Å; Y542-F616 AromaticContact CE2-CE1 3.73Å; Y542-F616 HydrophobicContact CE2-CE1 3.73Å; Y542-F616 HydrophobicContact CE2-CE2 4.29Å; Y542-F616 AromaticContact CE2-CG 3.84Å; Y542-F616 HydrophobicContact CE2-CG 3.84Å; Y542-F616 HydrophobicContact CE2-CZ 4.08Å; Y542-F616 HydrophobicContact CG-CE2 4.36Å; Y542-F616 VanDerWaalsContact CZ-N 3.27Å; Y542-F616 PolarHBondContact OH-N 3.4Å; W570-F616 HydrophobicContact CB-CE1 4.02Å; W570-F616 AromaticContact CD1-CE1 3.95Å; W570-F616 AromaticContact CD2-CE1 3.56Å; W570-F616 HydrophobicContact CD2-CE1 3.56Å; W570-F616 HydrophobicContact CD2-CZ 4.08Å; W570-F616 AromaticContact CE2-CE1 3.89Å; W570-F616 AromaticContact CE2-CZ 3.92Å; W570-F616 AromaticContact CE3-CE1 3.94Å; W570-F616 HydrophobicContact CE3-CE1 3.94Å; W570-F616 AromaticContact CG-CE1 3.61Å; W570-F616 HydrophobicContact CG-CE1 3.61Å; W570-F616 HydrophobicContact CG-CZ 4.16Å; W570-F616 HydrophobicContact CZ2-CZ 4.39Å; W570-F616 AromaticContact NE1-CZ 3.92Å; L574-F616 HydrophobicContact CD1-CE2 4.15Å; L574-F616 HydrophobicContact CD1-CZ 3.97Å; L606-F616 HydrophobicContact CD1-CD2 3.73Å; L606-F616 HydrophobicContact CD1-CE2 4.11Å; R610-F616 HydrophobicContact CG-CB 3.87Å; F616-H618 PolarHBondContact O-N 2.85Å; F616-F619 HydrophobicContact CB-CB 4.08Å; F616-F619 HydrophobicContact CB-CD2 4.09Å; F616-F619 HydrophobicContact CB-CG 4.2Å; F616-F619 HydrophobicContact CD1-CD1 4.07Å; F616-F619 HydrophobicContact CD1-CD2 4.07Å; F616-F619 HydrophobicContact CD1-CE1 4.22Å; F616-F619 HydrophobicContact CD1-CE2 4.2Å; F616-F619 AromaticContact CD1-CG 3.98Å; F616-F619 HydrophobicContact CD1-CG 3.98Å; F616-F619 HydrophobicContact CD1-CZ 4.26Å; F616-F619 WeakPolarHBondContact O-CB 3.48Å; F616-F619 PolarHBondContact O-N 3.04Å; F616-L662 HydrophobicContact CB-CD2 4.31Å; F616-L662 HydrophobicContact CD1-CD2 4.31Å; F616-L662 HydrophobicContact CG-CD2 4.23Å
617	L	94.9	Very high	97.1	Very high	32 Å²	32	45.1 Å²	45.1	17%	0.168	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	131.1	-179.5	-174.9	64	0	0	0	110.7	V615 F619 T821 K826	V615-L617 PolarHBondContact O-N 2.94Å; V615-L617 VanDerWaalsContact O-N 3.14Å; L617-F619 PolarHBondContact O-N 2.83Å; L617-T821 HydrophobicContact CD2-CG2 3.65Å; L617-K826 HydrophobicContact CD2-CB 3.97Å
618	H	94.8	Very high	97.1	Very high	48 Å²	48	44.2 Å²	44.2	22%	0.222	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	17.4	-171.1	-51.9	-65.4	0	0	0	115.9	F616 T819 R893	F616-H618 PolarHBondContact O-N 2.85Å; H618-T819 WeakPolarHBondContact NE2-CB 3.44Å; H618-T819 WeakPolarHBondContact NE2-CG2 3.1Å; H618-R893 PolarHBondContact ND1-O 3.38Å; H618-R893 VanDerWaalsContact ND1-O 3.12Å
619	F	97.9	Very high	97.1	Very high	9 Å²	9	42.1 Å²	42.1	4%	0.039	21%	0.213	C	C	.	.			trans	-85.9	137.9	163	-73.7	-112.2	0	0	0	110.9	T562 L568 W570 R610 F616 L617 L662 R663 K664	T562-F619 HydrophobicContact CG2-CE2 3.72Å; T562-F619 HydrophobicContact CG2-CZ 3.87Å; L568-F619 HydrophobicContact CD2-CE1 4.07Å; L568-F619 HydrophobicContact CD2-CZ 3.67Å; L568-F619 HydrophobicContact CG-CE1 4.23Å; L568-F619 HydrophobicContact CG-CZ 4.33Å; W570-F619 HydrophobicContact CB-CE1 4.04Å; W570-F619 HydrophobicContact CE3-CE1 4.43Å; W570-F619 HydrophobicContact CE3-CZ 4.13Å; R610-F619 PolarHBondContact NH2-O 2.87Å; F616-F619 HydrophobicContact CB-CB 4.08Å; F616-F619 HydrophobicContact CB-CD2 4.09Å; F616-F619 HydrophobicContact CB-CG 4.2Å; F616-F619 HydrophobicContact CD1-CD1 4.07Å; F616-F619 HydrophobicContact CD1-CD2 4.07Å; F616-F619 HydrophobicContact CD1-CE1 4.22Å; F616-F619 HydrophobicContact CD1-CE2 4.2Å; F616-F619 AromaticContact CD1-CG 3.98Å; F616-F619 HydrophobicContact CD1-CG 3.98Å; F616-F619 HydrophobicContact CD1-CZ 4.26Å; F616-F619 WeakPolarHBondContact O-CB 3.48Å; F616-F619 PolarHBondContact O-N 3.04Å; L617-F619 PolarHBondContact O-N 2.83Å; F619-L662 HydrophobicContact CB-CB 4.35Å; F619-L662 HydrophobicContact CB-CD2 4.39Å; F619-L662 HydrophobicContact CD1-CB 4.09Å; F619-R663 CarbonylContact C-O 3.6Å; F619-R663 VanDerWaalsContact CA-O 3.29Å; F619-R663 WeakPolarHBondContact CA-O 3.38Å; F619-K664 HydrophobicContact CD1-CB 3.94Å; F619-K664 HydrophobicContact CD2-CB 4.18Å; F619-K664 HydrophobicContact CD2-CD 4.47Å; F619-K664 HydrophobicContact CE1-CB 4.01Å; F619-K664 HydrophobicContact CE2-CB 4.26Å; F619-K664 HydrophobicContact CE2-CD 4.3Å; F619-K664 HydrophobicContact CG-CB 4.04Å; F619-K664 HydrophobicContact CZ-CB 4.18Å
620	E	97.7	Very high	97.2	Very high	103 Å²	103	42.6 Å²	42.6	48%	0.481	22%	0.215	S	C	.	.	B	Isolated β-bridge	trans	-94	152	169.7	-68.2	172.6	-102.3	0	0	110.9	L662 R663	E620-L662 CarbonylContact O-C 3.58Å; E620-L662 WeakPolarHBondContact O-CA 3.35Å; E620-R663 HydrophobicContact CB-CG 4.34Å; E620-R663 VanDerWaalsContact CD-NH1 3.26Å; E620-R663 PolarHBondContact N-O 3.46Å; E620-R663 PolarHBondContact O-N 3.47Å; E620-R663 IonicContact OE1-CZ 3.22Å; E620-R663 IonicContact OE1-NH1 3.67Å; E620-R663 PolarHBondContact OE1-NH1 2.96Å; E620-R663 IonicContact OE1-NH2 2.65Å; E620-R663 PolarHBondContact OE1-NH2 2.74Å; E620-R663 IonicContact OE2-CZ 2.71Å; E620-R663 IonicContact OE2-NH1 2.61Å; E620-R663 IonicContact OE2-NH2 3.06Å; E620-R663 PolarHBondContact OE2-NH2 2.77Å
621	E	98.6	Very high	97.2	Very high	39 Å²	39	42 Å²	42	18%	0.182	21%	0.212	C	C	.	.			trans	-138.2	140.2	172.7	-178.9	169.4	-149.6	0	0	106.5	R610 R660 L662 Y676	R610-E621 VanDerWaalsContact NH1-CB 3.27Å; R610-E621 IonicContact NH1-OE2 3.88Å; R610-E621 PolarHBondContact NH1-OE2 3.24Å; E621-R660 IonicContact OE1-CZ 2.98Å; E621-R660 IonicContact OE1-NE 2.62Å; E621-R660 PolarHBondContact OE1-NE 3.19Å; E621-R660 IonicContact OE1-NH2 3.73Å; E621-R660 PolarHBondContact OE1-NH2 3.37Å; E621-R660 IonicContact OE2-CZ 2.69Å; E621-R660 IonicContact OE2-NE 2.73Å; E621-R660 IonicContact OE2-NH2 3.78Å; E621-R660 PolarHBondContact OE2-NH2 3.11Å; E621-L662 HydrophobicContact CB-CD2 4.22Å; E621-L662 HydrophobicContact CB-CG 4.11Å; E621-L662 HydrophobicContact CG-CG 4.35Å; E621-Y676 HydrophobicContact CG-CE1 3.9Å; E621-Y676 PolarHBondContact OE1-OH 2.89Å
622	E	98	Very high	97.3	Very high	59 Å²	59	36.6 Å²	36.6	28%	0.276	18%	0.183	S	C	.	.			trans	-74.5	155.8	178.9	176.7	64.8	-78.4	0	0	111.2	K419 I624 C673 Y676	K419-E622 HydrophobicContact CD-CG 4.11Å; K419-E622 IonicContact NZ-OE2 2.77Å; K419-E622 PolarHBondContact NZ-OE2 3.26Å; E622-I624 PolarHBondContact O-N 3.49Å; E622-C673 HydrophobicContact CB-CB 4.24Å; E622-C673 HydrophobicContact CG-CB 4.23Å; E622-C673 WeakPolarHBondContact OE2-CB 3.23Å; E622-Y676 HydrophobicContact CB-CD1 3.6Å; E622-Y676 HydrophobicContact CB-CE1 4.4Å; E622-Y676 HydrophobicContact CB-CG 4.04Å; E622-Y676 HydrophobicContact CG-CD1 4.05Å; E622-Y676 HydrophobicContact CG-CG 4.3Å; E622-Y676 WeakPolarHBondContact O-CD1 3.17Å; E622-Y676 WeakPolarHBondContact O-CE1 3.44Å
623	E	97.2	Very high	97.3	Very high	111 Å²	111	35.3 Å²	35.3	52%	0.519	17%	0.174	S	C	.	.			trans	-59.7	120.7	-177.2	-167.5	-173.2	172.1	0	0	112.2	Q598 T625	Q598-E623 PolarHBondContact NE2-OE1 3.02Å; E623-T625 HydrophobicContact CG-CG2 4.14Å; E623-T625 PolarHBondContact O-N 2.88Å; E623-T625 PolarHBondContact O-OG1 3.05Å
624	I	98.4	Very high	97.4	Very high	12 Å²	12	38.1 Å²	38.1	6%	0.062	18%	0.176	C	C	.	.			trans	-74.1	98.2	178.4	-65.8	169.3	0	0	0	109.4	L601 E622 F626 W657 Y676	L601-I624 HydrophobicContact CD1-CB 4.07Å; L601-I624 HydrophobicContact CD1-CG2 4.28Å; L601-I624 WeakPolarHBondContact CD1-O 3.48Å; L601-I624 HydrophobicContact CD2-CB 4Å; L601-I624 HydrophobicContact CD2-CD1 4.01Å; L601-I624 HydrophobicContact CD2-CG2 3.94Å; E622-I624 PolarHBondContact O-N 3.49Å; I624-F626 HydrophobicContact CB-CE1 4.24Å; I624-F626 HydrophobicContact CG1-CE1 4.08Å; I624-F626 HydrophobicContact CG1-CZ 4.21Å; I624-F626 HydrophobicContact CG2-CD1 4.07Å; I624-F626 HydrophobicContact CG2-CD2 4.48Å; I624-F626 HydrophobicContact CG2-CE1 3.92Å; I624-F626 HydrophobicContact CG2-CE2 4.35Å; I624-F626 HydrophobicContact CG2-CG 4.35Å; I624-F626 HydrophobicContact CG2-CZ 4.08Å; I624-W657 HydrophobicContact CG2-CD2 4.26Å; I624-W657 HydrophobicContact CG2-CG 4.19Å; I624-W657 HydrophobicContact CG2-CZ2 4.23Å; I624-Y676 HydrophobicContact CG1-CD1 4.48Å; I624-Y676 HydrophobicContact CG1-CE1 3.76Å
625	T	97.6	Very high	97.5	Very high	55 Å²	55	39.9 Å²	39.9	34%	0.337	19%	0.19	S	C	.	.			trans	-106.2	11.8	179.6	46.1	0	0	0	0	112.6	G418 K419 Y597 E623	G418-T625 WeakPolarHBondContact CA-O 3.47Å; G418-T625 WeakPolarHBondContact CA-OG1 3.24Å; K419-T625 PolarHBondContact N-OG1 3.35Å; Y597-T625 WeakPolarHBondContact CE2-O 3.26Å; E623-T625 HydrophobicContact CG-CG2 4.14Å; E623-T625 PolarHBondContact O-N 2.88Å; E623-T625 PolarHBondContact O-OG1 3.05Å
626	F	98.6	Very high	97.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.199	C	C	.	.	S	Bend	trans	-116.7	152.6	-178.9	56	-84.3	0	0	0	111	L417 I624 T629 W657 Y676 C678 V690	L417-F626 HydrophobicContact CB-CB 4.21Å; I624-F626 HydrophobicContact CB-CE1 4.24Å; I624-F626 HydrophobicContact CG1-CE1 4.08Å; I624-F626 HydrophobicContact CG1-CZ 4.21Å; I624-F626 HydrophobicContact CG2-CD1 4.07Å; I624-F626 HydrophobicContact CG2-CD2 4.48Å; I624-F626 HydrophobicContact CG2-CE1 3.92Å; I624-F626 HydrophobicContact CG2-CE2 4.35Å; I624-F626 HydrophobicContact CG2-CG 4.35Å; I624-F626 HydrophobicContact CG2-CZ 4.08Å; F626-T629 HydrophobicContact CD2-CG2 4.09Å; F626-T629 HydrophobicContact CE2-CG2 3.74Å; F626-W657 AromaticContact CE2-CD1 3.73Å; F626-W657 PolarHBondContact O-NE1 3.34Å; F626-Y676 AromaticContact CE1-CD1 3.79Å; F626-Y676 HydrophobicContact CE1-CD1 3.79Å; F626-Y676 HydrophobicContact CE1-CD2 4.24Å; F626-Y676 AromaticContact CE1-CE1 3.85Å; F626-Y676 HydrophobicContact CE1-CE1 3.85Å; F626-Y676 HydrophobicContact CE1-CE2 4.25Å; F626-Y676 HydrophobicContact CE1-CG 4.03Å; F626-Y676 HydrophobicContact CZ-CD1 4.45Å; F626-Y676 HydrophobicContact CZ-CD2 4.5Å; F626-Y676 HydrophobicContact CZ-CE1 4.1Å; F626-Y676 HydrophobicContact CZ-CE2 4.1Å; F626-Y676 AromaticContact CZ-CZ 3.92Å; F626-C678 HydrophobicContact CD2-CB 4.01Å; F626-V690 HydrophobicContact CE2-CG2 4.18Å
627	P	98.5	Very high	97.4	Very high	9 Å²	9	42.7 Å²	42.7	6%	0.058	20%	0.204	C	C	.	.			trans	-68.2	164.4	-179.3	31.5	-37.6	0	0	0	112	L417 I592 Y597 T629 W657	L417-P627 HydrophobicContact CD1-CG 3.53Å; I592-P627 HydrophobicContact CG2-CB 3.79Å; Y597-P627 HydrophobicContact CE1-CB 3.78Å; P627-T629 PolarHBondContact O-N 3.39Å; P627-W657 VanDerWaalsContact C-NE1 3.29Å; P627-W657 PolarHBondContact O-NE1 2.83Å
628	P	98.7	Very high	97.4	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.23	C	C	.	.			trans	-53.8	129.4	177.8	-27.9	36.4	0	0	0	112.9	I592 Y630 F632 Y640 P655 W657	I592-P628 HydrophobicContact CD1-CG 3.68Å; I592-P628 HydrophobicContact CG1-CG 4.02Å; P628-Y630 VanDerWaalsContact C-N 3.29Å; P628-Y630 PolarHBondContact O-N 3.11Å; P628-F632 WeakPolarHBondContact O-CE2 3.38Å; P628-F632 WeakPolarHBondContact O-CZ 3.14Å; P628-Y640 HydrophobicContact CB-CE1 4.32Å; P628-Y640 WeakPolarHBondContact O-CE1 3.28Å; P628-Y640 PolarHBondContact O-OH 2.98Å; P628-P655 HydrophobicContact CB-CB 3.91Å; P628-P655 HydrophobicContact CG-CB 4.07Å; P628-W657 HydrophobicContact CB-CD2 4.28Å; P628-W657 HydrophobicContact CG-CD2 4.04Å; P628-W657 HydrophobicContact CG-CE3 4.18Å; P628-W657 HydrophobicContact CG-CH2 3.83Å; P628-W657 HydrophobicContact CG-CZ2 3.65Å; P628-W657 HydrophobicContact CG-CZ3 4.08Å
629	T	98.8	Very high	97.5	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.243	C	C	.	.			trans	-75.2	-20.8	-172.9	55.9	0	0	0	0	113.3	F626 P627 F632 S656 D659 C678 H687 S688 V690	F626-T629 HydrophobicContact CD2-CG2 4.09Å; F626-T629 HydrophobicContact CE2-CG2 3.74Å; P627-T629 PolarHBondContact O-N 3.39Å; T629-F632 VanDerWaalsContact O-CD2 3.31Å; T629-F632 WeakPolarHBondContact O-CD2 3.29Å; T629-F632 VanDerWaalsContact O-CE2 3.3Å; T629-F632 WeakPolarHBondContact O-CE2 3.25Å; T629-S656 PolarHBondContact N-O 2.87Å; T629-D659 VanDerWaalsContact CB-OD2 3.28Å; T629-D659 WeakPolarHBondContact CB-OD2 3.39Å; T629-D659 HydrophobicContact CG2-CB 4.37Å; T629-D659 PolarHBondContact OG1-N 3.5Å; T629-D659 PolarHBondContact OG1-OD2 3.14Å; T629-C678 HydrophobicContact CG2-CB 4.19Å; T629-H687 WeakPolarHBondContact O-CA 3.43Å; T629-S688 PolarHBondContact O-N 3.03Å; T629-V690 HydrophobicContact CG2-CG2 3.4Å; T629-V690 VanDerWaalsContact CG2-CG2 3.4Å
630	Y	98.5	Very high	97.4	Very high	21 Å²	21	51.2 Å²	51.2	8%	0.082	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-128.9	150.1	-179.7	176.3	-101.1	0	0	0	109.3	P628 N653 P655 S656 C658 H687	P628-Y630 VanDerWaalsContact C-N 3.29Å; P628-Y630 PolarHBondContact O-N 3.11Å; Y630-N653 HydrophobicContact CE1-CB 4Å; Y630-P655 CarbonylContact O-C 3.49Å; Y630-P655 VanDerWaalsContact O-CA 3.23Å; Y630-P655 WeakPolarHBondContact O-CA 3.34Å; Y630-S656 PolarHBondContact N-O 3.07Å; Y630-S656 VanDerWaalsContact N-O 3.14Å; Y630-S656 PolarHBondContact O-N 3.06Å; Y630-C658 WeakPolarHBondContact CD1-SG 3.29Å; Y630-C658 HydrophobicContact CG-CB 4.49Å; Y630-H687 AromaticContact CD2-CD2 3.51Å; Y630-H687 AromaticContact CD2-CE1 3.43Å; Y630-H687 VanDerWaalsContact CD2-CE1 3.43Å; Y630-H687 WeakPolarHBondContact CD2-CE1 3.31Å; Y630-H687 AromaticContact CD2-CG 3.9Å; Y630-H687 AromaticContact CD2-ND1 3.86Å; Y630-H687 AromaticContact CD2-NE2 3.15Å; Y630-H687 WeakPolarHBondContact CD2-NE2 3.33Å; Y630-H687 AromaticContact CE2-CD2 3.97Å; Y630-H687 AromaticContact CE2-CE1 3.99Å; Y630-H687 AromaticContact CE2-NE2 3.38Å; Y630-H687 WeakPolarHBondContact CE2-NE2 3.43Å
631	R	97.2	Very high	97.2	Very high	42 Å²	42	46.8 Å²	46.8	16%	0.158	23%	0.226	C	C	.	.			cis	-111.3	113.7	-6.9	-170.4	177.1	-174.5	-101.6	-17.5	109.5	Y640 A641 D686	R631-Y640 CarbonylContact O-C 3.54Å; R631-Y640 WeakPolarHBondContact O-CA 3.5Å; R631-Y640 WeakPolarHBondContact O-CD1 3.3Å; R631-A641 HydrophobicContact CG-CB 4.28Å; R631-A641 PolarHBondContact NH1-O 3.31Å; R631-A641 PolarHBondContact O-N 3.35Å; R631-D686 WeakPolarHBondContact CA-O 3.12Å; R631-D686 HydrophobicContact CG-CB 3.95Å; R631-D686 IonicContact CZ-OD2 3.16Å; R631-D686 IonicContact NE-OD2 3.34Å; R631-D686 PolarHBondContact NE-OD2 3.35Å; R631-D686 IonicContact NH2-OD2 2.7Å; R631-D686 PolarHBondContact NH2-OD2 2.74Å
632	F	97.6	Very high	96.8	Very high	9 Å²	9	47.1 Å²	47.1	4%	0.039	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-80.1	160.6	176.6	-71	-79.1	0	0	0	112.1	P628 T629 R637 Y640 A641 D686 S688	P628-F632 WeakPolarHBondContact O-CE2 3.38Å; P628-F632 WeakPolarHBondContact O-CZ 3.14Å; T629-F632 VanDerWaalsContact O-CD2 3.31Å; T629-F632 WeakPolarHBondContact O-CD2 3.29Å; T629-F632 VanDerWaalsContact O-CE2 3.3Å; T629-F632 WeakPolarHBondContact O-CE2 3.25Å; F632-R637 VanDerWaalsContact CB-CZ 3.49Å; F632-R637 HydrophobicContact CD1-CB 4.33Å; F632-R637 HydrophobicContact CE1-CB 4.19Å; F632-R637 VanDerWaalsContact CE1-O 3.26Å; F632-R637 WeakPolarHBondContact CE1-O 3.34Å; F632-Y640 HydrophobicContact CD1-CD1 4.36Å; F632-Y640 HydrophobicContact CD1-CE1 4.16Å; F632-Y640 HydrophobicContact CD2-CE1 4.42Å; F632-Y640 HydrophobicContact CE1-CD1 4.36Å; F632-Y640 HydrophobicContact CE1-CD2 4.48Å; F632-Y640 AromaticContact CE1-CE1 3.77Å; F632-Y640 HydrophobicContact CE1-CE1 3.77Å; F632-Y640 AromaticContact CE1-CE2 3.91Å; F632-Y640 HydrophobicContact CE1-CE2 3.91Å; F632-Y640 AromaticContact CE1-CZ 3.52Å; F632-Y640 HydrophobicContact CE2-CE1 4.04Å; F632-Y640 HydrophobicContact CG-CE1 4.48Å; F632-Y640 AromaticContact CZ-CE1 3.71Å; F632-Y640 HydrophobicContact CZ-CE1 3.71Å; F632-Y640 HydrophobicContact CZ-CE2 4.34Å; F632-Y640 AromaticContact CZ-CZ 3.52Å; F632-Y640 VanDerWaalsContact CZ-OH 3.27Å; F632-Y640 WeakPolarHBondContact CZ-OH 3.25Å; F632-A641 WeakPolarHBondContact O-CB 3.37Å; F632-D686 PolarHBondContact N-O 2.8Å; F632-D686 WeakPolarHBondContact O-CB 3.49Å; F632-S688 WeakPolarHBondContact CD2-OG 3.43Å; F632-S688 VanDerWaalsContact CE2-OG 3.24Å; F632-S688 WeakPolarHBondContact CE2-OG 3.33Å
633	E	96.8	Very high	96.3	Very high	67 Å²	67	47.7 Å²	47.7	31%	0.313	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-70.9	151.8	152.3	-69.6	-177.3	170.1	0	0	108.9	T636 R637 K639 A641	E633-T636 HydrophobicContact CB-CG2 3.92Å; E633-R637 PolarHBondContact O-NH2 2.93Å; E633-K639 HydrophobicContact CG-CG 4.38Å; E633-K639 PolarHBondContact N-O 3.16Å; E633-K639 IonicContact OE1-NZ 2.71Å; E633-K639 PolarHBondContact OE1-NZ 3.35Å; E633-K639 WeakPolarHBondContact OE2-CD 3.3Å; E633-K639 WeakPolarHBondContact OE2-CG 3.15Å; E633-K639 IonicContact OE2-NZ 2.61Å; E633-K639 PolarHBondContact OE2-NZ 2.9Å; E633-A641 HydrophobicContact CG-CB 3.64Å
634	R	96.4	Very high	95.5	Very high	88 Å²	88	47.4 Å²	47.4	33%	0.332	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	155	177.5	-69.8	-178.8	-178	-152.8	8.7	109.8	G400 T636 T684 D686	G400-R634 PolarHBondContact O-NH2 2.96Å; R634-T636 PolarHBondContact O-N 3.28Å; R634-T684 VanDerWaalsContact CD-O 3.29Å; R634-T684 WeakPolarHBondContact CD-O 3.49Å; R634-T684 PolarHBondContact NH1-O 3.37Å; R634-T684 VanDerWaalsContact NH1-O 3.12Å; R634-D686 HydrophobicContact CG-CB 4.44Å; R634-D686 IonicContact CZ-OD1 2.73Å; R634-D686 IonicContact NE-OD1 2.63Å; R634-D686 PolarHBondContact NE-OD1 3.12Å; R634-D686 VanDerWaalsContact NE-OD1 3.16Å; R634-D686 IonicContact NH2-OD1 2.69Å; R634-D686 PolarHBondContact NH2-OD1 2.81Å
635	D	96.6	Very high	94.6	Very high	132 Å²	132	50.9 Å²	50.9	71%	0.706	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.8	7.2	177	-42.4	-57.4	0	0	0	115.2	M683	D635-M683 VanDerWaalsContact C-SD 3.6Å; D635-M683 PolarHBondContact N-O 2.92Å
636	T	96.5	Very high	93.6	Very high	31 Å²	31	53.6 Å²	53.6	19%	0.19	27%	0.268	C	S	.	.			trans	-145	154.4	168.4	168.9	0	0	0	0	110.2	E633 R634 D638 M683	E633-T636 HydrophobicContact CB-CG2 3.92Å; R634-T636 PolarHBondContact O-N 3.28Å; T636-D638 WeakPolarHBondContact OG1-CB 3.23Å; T636-D638 PolarHBondContact OG1-N 2.87Å; T636-D638 PolarHBondContact OG1-OD2 2.97Å; T636-M683 WeakPolarHBondContact CA-SD 3.45Å
637	R	96.5	Very high	92.5	Very high	30 Å²	30	59.2 Å²	59.2	11%	0.113	32%	0.315	C	S	.	.	S	Bend	trans	-111.8	5.1	166	-61.5	-66.4	87.2	145	5	113.1	F632 E633 K639 N680 I682 M683 S685 H687 S688	F632-R637 VanDerWaalsContact CB-CZ 3.49Å; F632-R637 HydrophobicContact CD1-CB 4.33Å; F632-R637 HydrophobicContact CE1-CB 4.19Å; F632-R637 VanDerWaalsContact CE1-O 3.26Å; F632-R637 WeakPolarHBondContact CE1-O 3.34Å; E633-R637 PolarHBondContact O-NH2 2.93Å; R637-K639 VanDerWaalsContact C-N 3.33Å; R637-N680 WeakPolarHBondContact CG-O 3.46Å; R637-I682 PolarHBondContact NH1-O 2.73Å; R637-M683 HydrophobicContact CG-CE 3.99Å; R637-M683 HydrophobicContact CG-CG 3.98Å; R637-M683 HydrophobicContact CG-SD 4.14Å; R637-M683 PolarHBondContact NH2-O 3.23Å; R637-S685 PolarHBondContact NH1-O 2.71Å; R637-S685 VanDerWaalsContact NH1-O 3.09Å; R637-S685 PolarHBondContact NH2-O 2.9Å; R637-H687 PolarHBondContact NH1-O 3.13Å; R637-S688 WeakPolarHBondContact CD-OG 3.27Å; R637-S688 PolarHBondContact NH1-OG 2.96Å
638	D	94.8	Very high	91.2	Very high	136 Å²	136	65.1 Å²	65.1	73%	0.727	35%	0.351	S	S	*	.	S	Bend	trans	-81	-15.3	-175.7	-50	-71.1	0	0	0	113.1	T636	T636-D638 WeakPolarHBondContact OG1-CB 3.23Å; T636-D638 PolarHBondContact OG1-N 2.87Å; T636-D638 PolarHBondContact OG1-OD2 2.97Å
639	K	95.9	Very high	90.2	Very high	111 Å²	111	67.1 Å²	67.1	48%	0.483	37%	0.371	S	S	.	.			trans	-140	135.1	-169	-173	155.6	167.8	-98	0	113	E633 R637	E633-K639 HydrophobicContact CG-CG 4.38Å; E633-K639 PolarHBondContact N-O 3.16Å; E633-K639 IonicContact OE1-NZ 2.71Å; E633-K639 PolarHBondContact OE1-NZ 3.35Å; E633-K639 WeakPolarHBondContact OE2-CD 3.3Å; E633-K639 WeakPolarHBondContact OE2-CG 3.15Å; E633-K639 IonicContact OE2-NZ 2.61Å; E633-K639 PolarHBondContact OE2-NZ 2.9Å; R637-K639 VanDerWaalsContact C-N 3.33Å
640	Y	96.6	Very high	89.2	Confident	20 Å²	20	70.8 Å²	70.8	8%	0.078	39%	0.393	C	S	.	.	B	Isolated β-bridge	trans	-96.3	125.8	177	-75.7	-87.8	0	0	0	111.4	V589 I592 P628 R631 F632 Y642 P655	V589-Y640 HydrophobicContact CG2-CD2 4.34Å; I592-Y640 HydrophobicContact CD1-CE2 4.03Å; I592-Y640 HydrophobicContact CG2-CE2 3.9Å; P628-Y640 HydrophobicContact CB-CE1 4.32Å; P628-Y640 WeakPolarHBondContact O-CE1 3.28Å; P628-Y640 PolarHBondContact O-OH 2.98Å; R631-Y640 CarbonylContact O-C 3.54Å; R631-Y640 WeakPolarHBondContact O-CA 3.5Å; R631-Y640 WeakPolarHBondContact O-CD1 3.3Å; F632-Y640 HydrophobicContact CD1-CD1 4.36Å; F632-Y640 HydrophobicContact CD1-CE1 4.16Å; F632-Y640 HydrophobicContact CD2-CE1 4.42Å; F632-Y640 HydrophobicContact CE1-CD1 4.36Å; F632-Y640 HydrophobicContact CE1-CD2 4.48Å; F632-Y640 AromaticContact CE1-CE1 3.77Å; F632-Y640 HydrophobicContact CE1-CE1 3.77Å; F632-Y640 AromaticContact CE1-CE2 3.91Å; F632-Y640 HydrophobicContact CE1-CE2 3.91Å; F632-Y640 AromaticContact CE1-CZ 3.52Å; F632-Y640 HydrophobicContact CE2-CE1 4.04Å; F632-Y640 HydrophobicContact CG-CE1 4.48Å; F632-Y640 AromaticContact CZ-CE1 3.71Å; F632-Y640 HydrophobicContact CZ-CE1 3.71Å; F632-Y640 HydrophobicContact CZ-CE2 4.34Å; F632-Y640 AromaticContact CZ-CZ 3.52Å; F632-Y640 VanDerWaalsContact CZ-OH 3.27Å; F632-Y640 WeakPolarHBondContact CZ-OH 3.25Å; Y640-Y642 WeakPolarHBondContact O-CD1 3.29Å; Y640-Y642 PolarHBondContact O-N 2.7Å; Y640-P655 HydrophobicContact CD1-CB 3.87Å; Y640-P655 HydrophobicContact CD1-CG 3.79Å; Y640-P655 HydrophobicContact CD2-CG 4.34Å; Y640-P655 HydrophobicContact CE1-CB 3.93Å; Y640-P655 HydrophobicContact CE1-CG 4.32Å; Y640-P655 HydrophobicContact CG-CB 4.31Å; Y640-P655 HydrophobicContact CG-CG 3.8Å
641	A	94	Very high	88.4	Confident	11 Å²	11	72.4 Å²	72.4	9%	0.091	40%	0.401	C	S	.	.			trans	-80.6	53.7	178.3	0	0	0	0	0	112.1	R631 F632 E633 T643	R631-A641 HydrophobicContact CG-CB 4.28Å; R631-A641 PolarHBondContact NH1-O 3.31Å; R631-A641 PolarHBondContact O-N 3.35Å; F632-A641 WeakPolarHBondContact O-CB 3.37Å; E633-A641 HydrophobicContact CG-CB 3.64Å; A641-T643 VanDerWaalsContact C-N 3.3Å; A641-T643 PolarHBondContact O-N 3.43Å
642	Y	89.9	Confident	87.9	Confident	45 Å²	45	74.9 Å²	74.9	18%	0.176	41%	0.411	C	S	.	.			trans	-75	-13.6	-167.5	68.3	-107.7	0	0	0	114.4	A585 E586 V589 Y640 Y652 N653	A585-Y642 HydrophobicContact CB-CD1 4.32Å; A585-Y642 HydrophobicContact CB-CD2 3.58Å; A585-Y642 HydrophobicContact CB-CE1 4.18Å; A585-Y642 HydrophobicContact CB-CE2 3.43Å; A585-Y642 VanDerWaalsContact CB-CE2 3.43Å; A585-Y642 HydrophobicContact CB-CG 4.06Å; E586-Y642 WeakPolarHBondContact OE1-CE1 3.22Å; E586-Y642 PolarHBondContact OE1-OH 2.95Å; V589-Y642 HydrophobicContact CG2-CD1 4.25Å; V589-Y642 HydrophobicContact CG2-CE1 4.36Å; Y640-Y642 WeakPolarHBondContact O-CD1 3.29Å; Y640-Y642 PolarHBondContact O-N 2.7Å; Y642-Y652 HydrophobicContact CD2-CD1 4.16Å; Y642-Y652 HydrophobicContact CD2-CE1 4.45Å; Y642-Y652 HydrophobicContact CE2-CE1 4.38Å; Y642-Y652 CarbonylContact O-C 3.59Å; Y642-Y652 WeakPolarHBondContact O-CA 3.39Å; Y642-N653 VanDerWaalsContact CA-O 3.31Å; Y642-N653 WeakPolarHBondContact CA-O 3.37Å; Y642-N653 WeakPolarHBondContact CB-O 3.33Å; Y642-N653 PolarHBondContact O-N 2.98Å
643	T	87.3	Confident	87.5	Confident	72 Å²	72	75.2 Å²	75.2	44%	0.442	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	139.3	170.4	50.1	0	0	0	0	111.4	A641 T650 Y652	A641-T643 VanDerWaalsContact C-N 3.3Å; A641-T643 PolarHBondContact O-N 3.43Å; T643-T650 HydrophobicContact CG2-CG2 4.1Å; T643-Y652 HydrophobicContact CG2-CD1 4.05Å; T643-Y652 HydrophobicContact CG2-CE1 3.66Å
644	K	80.6	Confident	87.5	Confident	105 Å²	105	72.9 Å²	72.9	46%	0.457	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	112.1	167.2	-173.4	164.9	-174.1	167.5	0	110.5	K651	K644-K651 PolarHBondContact N-O 3.28Å; K644-K651 PolarHBondContact O-N 3.16Å
645	A	79	Confident	87.6	Confident	84 Å²	84	68.7 Å²	68.7	69%	0.694	39%	0.387	S	S	*	.			trans	-61	142.9	171.2	0	0	0	0	0	111.1
646	K	77	Confident	87.7	Confident	113 Å²	113	62.4 Å²	62.4	49%	0.491	35%	0.353	S	S	.	.			trans	-144.5	164.9	171.1	-59.6	-173.5	173.5	-166.9	0	109.4	T648 G649 K651	K646-T648 PolarHBondContact O-N 3.32Å; K646-T648 VanDerWaalsContact O-N 3.14Å; K646-G649 WeakPolarHBondContact CB-O 3.43Å; K646-G649 PolarHBondContact N-O 3.12Å; K646-G649 VanDerWaalsContact N-O 3.14Å; K646-G649 PolarHBondContact O-N 3.38Å; K646-K651 HydrophobicContact CD-CB 4.46Å
647	A	75.3	Confident	87.8	Confident	118 Å²	118	61 Å²	61	98%	0.975	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-24.5	171.3	0	0	0	0	0	113.5
648	T	70.8	Confident	87.9	Confident	133 Å²	133	59.5 Å²	59.5	82%	0.816	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	26.8	175.8	67.1	0	0	0	0	112.8	K646	K646-T648 PolarHBondContact O-N 3.32Å; K646-T648 VanDerWaalsContact O-N 3.14Å
649	G	77.7	Confident	88.1	Confident	41 Å²	41	53 Å²	53	42%	0.423	30%	0.304	S	S	.	.			trans	86.8	-176.7	-176	0	0	0	0	0	114.9	K646 K651	K646-G649 WeakPolarHBondContact CB-O 3.43Å; K646-G649 PolarHBondContact N-O 3.12Å; K646-G649 VanDerWaalsContact N-O 3.14Å; K646-G649 PolarHBondContact O-N 3.38Å; G649-K651 PolarHBondContact O-N 3.38Å
650	T	79.1	Confident	88.2	Confident	77 Å²	77	47.9 Å²	47.9	47%	0.472	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-77.4	116.9	-176	-56.5	0	0	0	0	111.5	T643 Y652	T643-T650 HydrophobicContact CG2-CG2 4.1Å; T650-Y652 HydrophobicContact CG2-CD2 4.38Å; T650-Y652 HydrophobicContact CG2-CE2 4Å
651	K	81.2	Confident	88.3	Confident	56 Å²	56	47.1 Å²	47.1	24%	0.243	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	129.2	164.5	177.2	153.7	-174.3	146.6	0	109.8	E533 K644 K646 G649	E533-K651 IonicContact OE1-NZ 2.69Å; E533-K651 PolarHBondContact OE1-NZ 2.7Å; E533-K651 IonicContact OE2-NZ 3.73Å; E533-K651 PolarHBondContact OE2-NZ 2.94Å; K644-K651 PolarHBondContact N-O 3.28Å; K644-K651 PolarHBondContact O-N 3.16Å; K646-K651 HydrophobicContact CD-CB 4.46Å; G649-K651 PolarHBondContact O-N 3.38Å
652	Y	85.9	Confident	88.6	Confident	93 Å²	93	46.7 Å²	46.7	37%	0.365	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	142.9	169.8	-67.4	-96.4	0	0	0	111.1	Y642 T643 T650	Y642-Y652 HydrophobicContact CD2-CD1 4.16Å; Y642-Y652 HydrophobicContact CD2-CE1 4.45Å; Y642-Y652 HydrophobicContact CE2-CE1 4.38Å; Y642-Y652 CarbonylContact O-C 3.59Å; Y642-Y652 WeakPolarHBondContact O-CA 3.39Å; T643-Y652 HydrophobicContact CG2-CD1 4.05Å; T643-Y652 HydrophobicContact CG2-CE1 3.66Å; T650-Y652 HydrophobicContact CG2-CD2 4.38Å; T650-Y652 HydrophobicContact CG2-CE2 4Å
653	N	90.1	Very high	89	Confident	17 Å²	17	46 Å²	46	9%	0.091	27%	0.272	C	S	.	.			trans	-132.5	81.3	169.9	-78.4	-57.1	0	0	0	106.9	R577 Y630 Y642	R577-N653 PolarHBondContact NH1-OD1 2.89Å; Y630-N653 HydrophobicContact CE1-CB 4Å; Y642-N653 VanDerWaalsContact CA-O 3.31Å; Y642-N653 WeakPolarHBondContact CA-O 3.37Å; Y642-N653 WeakPolarHBondContact CB-O 3.33Å; Y642-N653 PolarHBondContact O-N 2.98Å
654	L	96.3	Very high	89.5	Confident	18 Å²	18	43.1 Å²	43.1	9%	0.094	25%	0.254	C	S	.	.			trans	-57.6	147.8	-179.7	-61.8	178.3	0	0	0	111.2	L580 A585 I588 S656	L580-L654 HydrophobicContact CB-CD1 4.27Å; L580-L654 WeakPolarHBondContact O-CD1 3.39Å; A585-L654 HydrophobicContact CB-CD2 3.63Å; I588-L654 HydrophobicContact CD1-CB 4.31Å; I588-L654 HydrophobicContact CD1-CD1 3.84Å; I588-L654 HydrophobicContact CD1-CD2 4.17Å; I588-L654 HydrophobicContact CD1-CG 4.33Å; L654-S656 PolarHBondContact O-N 2.84Å; L654-S656 PolarHBondContact O-OG 3.05Å
655	P	98.2	Very high	90.3	Very high	0 Å²	0	39 Å²	39	0%	0	24%	0.238	C	C	.	.			trans	-48.2	128.2	174.8	-29	36.3	0	0	0	111.6	V578 I588 V589 I592 P628 Y630 Y640	V578-P655 WeakPolarHBondContact CG2-O 3.38Å; I588-P655 HydrophobicContact CG2-CB 3.94Å; I588-P655 HydrophobicContact CG2-CG 3.88Å; V589-P655 HydrophobicContact CG2-CG 4.24Å; I592-P655 HydrophobicContact CD1-CB 3.49Å; I592-P655 VanDerWaalsContact CD1-CB 3.49Å; I592-P655 HydrophobicContact CD1-CG 3.92Å; P628-P655 HydrophobicContact CB-CB 3.91Å; P628-P655 HydrophobicContact CG-CB 4.07Å; Y630-P655 CarbonylContact O-C 3.49Å; Y630-P655 VanDerWaalsContact O-CA 3.23Å; Y630-P655 WeakPolarHBondContact O-CA 3.34Å; Y640-P655 HydrophobicContact CD1-CB 3.87Å; Y640-P655 HydrophobicContact CD1-CG 3.79Å; Y640-P655 HydrophobicContact CD2-CG 4.34Å; Y640-P655 HydrophobicContact CE1-CB 3.93Å; Y640-P655 HydrophobicContact CE1-CG 4.32Å; Y640-P655 HydrophobicContact CG-CB 4.31Å; Y640-P655 HydrophobicContact CG-CG 3.8Å
656	S	98.6	Very high	91.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-147.5	146.1	-171.1	-64.7	0	0	0	0	112.3	R577 V578 T629 Y630 L654 C658	R577-S656 WeakPolarHBondContact CA-OG 3.17Å; R577-S656 WeakPolarHBondContact CB-OG 3.34Å; R577-S656 WeakPolarHBondContact CD-OG 3.35Å; V578-S656 PolarHBondContact N-OG 3.4Å; T629-S656 PolarHBondContact N-O 2.87Å; Y630-S656 PolarHBondContact N-O 3.07Å; Y630-S656 VanDerWaalsContact N-O 3.14Å; Y630-S656 PolarHBondContact O-N 3.06Å; L654-S656 PolarHBondContact O-N 2.84Å; L654-S656 PolarHBondContact O-OG 3.05Å; S656-C658 VanDerWaalsContact C-N 3.29Å; S656-C658 PolarHBondContact O-N 2.85Å; S656-C658 VanDerWaalsContact O-N 3.12Å
657	W	98.8	Very high	92	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	19%	0.189	C	C	.	.			trans	-83.3	76.1	168.3	-66	-86.9	0	0	0	109.6	V578 Y597 L600 L601 I624 F626 P627 P628 R660	V578-W657 HydrophobicContact CG2-CE3 4.09Å; V578-W657 HydrophobicContact CG2-CZ3 3.97Å; Y597-W657 HydrophobicContact CD1-CZ2 4.21Å; Y597-W657 HydrophobicContact CG-CZ2 4.18Å; L600-W657 HydrophobicContact CB-CH2 3.79Å; L600-W657 HydrophobicContact CB-CZ3 3.79Å; L600-W657 HydrophobicContact CD1-CH2 4.41Å; L601-W657 HydrophobicContact CD2-CD2 3.91Å; L601-W657 HydrophobicContact CD2-CE3 3.66Å; L601-W657 HydrophobicContact CD2-CH2 3.85Å; L601-W657 HydrophobicContact CD2-CZ2 4.09Å; L601-W657 HydrophobicContact CD2-CZ3 3.63Å; L601-W657 HydrophobicContact CG-CE3 4.43Å; L601-W657 HydrophobicContact CG-CH2 3.77Å; L601-W657 HydrophobicContact CG-CZ2 4.23Å; L601-W657 HydrophobicContact CG-CZ3 3.89Å; I624-W657 HydrophobicContact CG2-CD2 4.26Å; I624-W657 HydrophobicContact CG2-CG 4.19Å; I624-W657 HydrophobicContact CG2-CZ2 4.23Å; F626-W657 AromaticContact CE2-CD1 3.73Å; F626-W657 PolarHBondContact O-NE1 3.34Å; P627-W657 VanDerWaalsContact C-NE1 3.29Å; P627-W657 PolarHBondContact O-NE1 2.83Å; P628-W657 HydrophobicContact CB-CD2 4.28Å; P628-W657 HydrophobicContact CG-CD2 4.04Å; P628-W657 HydrophobicContact CG-CE3 4.18Å; P628-W657 HydrophobicContact CG-CH2 3.83Å; P628-W657 HydrophobicContact CG-CZ2 3.65Å; P628-W657 HydrophobicContact CG-CZ3 4.08Å; W657-R660 WeakPolarHBondContact O-CD 3.06Å; W657-R660 PolarHBondContact O-NH1 2.94Å
658	C	98.8	Very high	92.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.166	C	C	.	.			trans	-72.3	-38.8	178	-71	0	0	0	0	111.9	D573 L574 N575 Y630 S656	D573-C658 CarbonylContact C-O 3.54Å; D573-C658 WeakPolarHBondContact OD1-CB 3.49Å; L574-C658 PolarHBondContact N-O 2.93Å; N575-C658 PolarHBondContact N-O 2.65Å; Y630-C658 WeakPolarHBondContact CD1-SG 3.29Å; Y630-C658 HydrophobicContact CG-CB 4.49Å; S656-C658 VanDerWaalsContact C-N 3.29Å; S656-C658 PolarHBondContact O-N 2.85Å; S656-C658 VanDerWaalsContact O-N 3.12Å
659	D	98.9	Very high	93.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	119.9	-171.5	-46.7	-99.6	0	0	0	109.4	T396 G572 T629 H687 V690	T396-D659 HydrophobicContact CG2-CB 4.29Å; G572-D659 WeakPolarHBondContact O-CA 3.37Å; T629-D659 VanDerWaalsContact CB-OD2 3.28Å; T629-D659 WeakPolarHBondContact CB-OD2 3.39Å; T629-D659 HydrophobicContact CG2-CB 4.37Å; T629-D659 PolarHBondContact OG1-N 3.5Å; T629-D659 PolarHBondContact OG1-OD2 3.14Å; D659-H687 VanDerWaalsContact CG-ND1 3.34Å; D659-H687 IonicContact OD1-CE1 3.37Å; D659-H687 IonicContact OD1-CG 2.69Å; D659-H687 IonicContact OD1-ND1 3.89Å; D659-H687 PolarHBondContact OD1-ND1 2.57Å; D659-H687 IonicContact OD2-CE1 3.59Å; D659-H687 IonicContact OD2-CG 3.47Å; D659-H687 IonicContact OD2-ND1 3.39Å; D659-H687 PolarHBondContact OD2-ND1 2.99Å; D659-V690 HydrophobicContact CB-CB 4.41Å; D659-V690 HydrophobicContact CB-CG2 3.78Å
660	R	98.9	Very high	94.4	Very high	3 Å²	3	25.4 Å²	25.4	1%	0.011	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	157.6	-165.9	-52.1	-67	-88.3	-94.6	-0.7	113	L571 G572 L574 D604 L606 E621 W657 L662	L571-R660 VanDerWaalsContact CA-O 3.29Å; L571-R660 WeakPolarHBondContact CA-O 3.22Å; G572-R660 PolarHBondContact N-O 3.17Å; G572-R660 VanDerWaalsContact N-O 3.13Å; G572-R660 PolarHBondContact O-N 2.97Å; L574-R660 HydrophobicContact CB-CG 4.45Å; L574-R660 HydrophobicContact CD1-CB 3.77Å; L574-R660 HydrophobicContact CD1-CG 4.17Å; L574-R660 HydrophobicContact CG-CB 4.07Å; L574-R660 HydrophobicContact CG-CG 4.32Å; D604-R660 VanDerWaalsContact CG-NH1 3.26Å; D604-R660 IonicContact OD1-NH1 3.86Å; D604-R660 PolarHBondContact OD1-NH1 2.77Å; D604-R660 IonicContact OD2-CZ 3.55Å; D604-R660 IonicContact OD2-NH1 2.75Å; D604-R660 PolarHBondContact OD2-NH1 3.3Å; D604-R660 IonicContact OD2-NH2 2.74Å; D604-R660 PolarHBondContact OD2-NH2 2.76Å; L606-R660 HydrophobicContact CD2-CB 4.49Å; L606-R660 HydrophobicContact CD2-CG 4.06Å; E621-R660 IonicContact OE1-CZ 2.98Å; E621-R660 IonicContact OE1-NE 2.62Å; E621-R660 PolarHBondContact OE1-NE 3.19Å; E621-R660 IonicContact OE1-NH2 3.73Å; E621-R660 PolarHBondContact OE1-NH2 3.37Å; E621-R660 IonicContact OE2-CZ 2.69Å; E621-R660 IonicContact OE2-NE 2.73Å; E621-R660 IonicContact OE2-NH2 3.78Å; E621-R660 PolarHBondContact OE2-NH2 3.11Å; W657-R660 WeakPolarHBondContact O-CD 3.06Å; W657-R660 PolarHBondContact O-NH1 2.94Å; R660-L662 HydrophobicContact CB-CD1 3.97Å
661	V	98.9	Very high	95.1	Very high	4 Å²	4	22.8 Å²	22.8	2%	0.024	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	121.8	169.7	-173.4	0	0	0	0	110	V394 T396 I569 L571 Y676 V690 A692 F694	V394-V661 HydrophobicContact CB-CG1 4.31Å; V394-V661 HydrophobicContact CG1-CG1 3.82Å; V394-V661 HydrophobicContact CG1-CG2 4.31Å; T396-V661 HydrophobicContact CG2-CG2 4.11Å; I569-V661 HydrophobicContact CG2-CG1 3.81Å; L571-V661 HydrophobicContact CB-CG1 4.49Å; L571-V661 HydrophobicContact CB-CG2 4.11Å; V661-Y676 HydrophobicContact CB-CE2 3.99Å; V661-Y676 HydrophobicContact CG2-CE2 4.25Å; V661-Y676 PolarHBondContact N-OH 2.87Å; V661-Y676 VanDerWaalsContact N-OH 3.08Å; V661-V690 HydrophobicContact CG2-CG1 4.28Å; V661-A692 HydrophobicContact CB-CB 4.05Å; V661-A692 HydrophobicContact CG1-CB 3.95Å; V661-A692 HydrophobicContact CG2-CB 4.17Å; V661-F694 HydrophobicContact CG1-CE2 4.1Å; V661-F694 HydrophobicContact CG1-CZ 4.09Å
662	L	98.8	Very high	95.6	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	153.6	179.7	-59.7	93	0	0	0	110.3	I569 W570 L574 L606 F616 F619 E620 E621 R660	I569-L662 WeakPolarHBondContact CA-O 3.22Å; W570-L662 PolarHBondContact N-O 2.69Å; W570-L662 PolarHBondContact O-N 2.91Å; L574-L662 HydrophobicContact CD1-CD1 3.56Å; L606-L662 HydrophobicContact CD2-CD1 4.17Å; L606-L662 HydrophobicContact CD2-CD2 4.38Å; F616-L662 HydrophobicContact CB-CD2 4.31Å; F616-L662 HydrophobicContact CD1-CD2 4.31Å; F616-L662 HydrophobicContact CG-CD2 4.23Å; F619-L662 HydrophobicContact CB-CB 4.35Å; F619-L662 HydrophobicContact CB-CD2 4.39Å; F619-L662 HydrophobicContact CD1-CB 4.09Å; E620-L662 CarbonylContact O-C 3.58Å; E620-L662 WeakPolarHBondContact O-CA 3.35Å; E621-L662 HydrophobicContact CB-CD2 4.22Å; E621-L662 HydrophobicContact CB-CG 4.11Å; E621-L662 HydrophobicContact CG-CG 4.35Å; R660-L662 HydrophobicContact CB-CD1 3.97Å
663	R	98.1	Very high	96.1	Very high	31 Å²	31	19 Å²	19	12%	0.117	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	145.8	174.9	64.8	165.1	-176.7	69.9	6.5	112.7	L568 I569 F619 E620 F694	L568-R663 CarbonylContact O-C 3.58Å; L568-R663 WeakPolarHBondContact O-CA 3.34Å; I569-R663 HydrophobicContact CG1-CB 4.01Å; F619-R663 CarbonylContact C-O 3.6Å; F619-R663 VanDerWaalsContact CA-O 3.29Å; F619-R663 WeakPolarHBondContact CA-O 3.38Å; E620-R663 HydrophobicContact CB-CG 4.34Å; E620-R663 VanDerWaalsContact CD-NH1 3.26Å; E620-R663 PolarHBondContact N-O 3.46Å; E620-R663 PolarHBondContact O-N 3.47Å; E620-R663 IonicContact OE1-CZ 3.22Å; E620-R663 IonicContact OE1-NH1 3.67Å; E620-R663 PolarHBondContact OE1-NH1 2.96Å; E620-R663 IonicContact OE1-NH2 2.65Å; E620-R663 PolarHBondContact OE1-NH2 2.74Å; E620-R663 IonicContact OE2-CZ 2.71Å; E620-R663 IonicContact OE2-NH1 2.61Å; E620-R663 IonicContact OE2-NH2 3.06Å; E620-R663 PolarHBondContact OE2-NH2 2.77Å; R663-F694 HydrophobicContact CG-CE1 4.45Å
664	K	97.9	Very high	96.2	Very high	12 Å²	12	19.2 Å²	19.2	5%	0.052	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	144.2	157.1	-170.4	-177.3	-179.5	-164.8	0	107.2	T562 H563 L568 F619	T562-K664 VanDerWaalsContact CB-NZ 3.32Å; T562-K664 WeakPolarHBondContact O-CD 3.48Å; T562-K664 WeakPolarHBondContact O-CE 3.45Å; T562-K664 PolarHBondContact O-NZ 2.84Å; T562-K664 PolarHBondContact OG1-NZ 3.09Å; H563-K664 PolarHBondContact CE1-NZ 3.3Å; H563-K664 PolarHBondContact NE2-NZ 3.21Å; L568-K664 PolarHBondContact N-O 3.04Å; L568-K664 PolarHBondContact O-N 2.75Å; L568-K664 VanDerWaalsContact O-O 3.07Å; F619-K664 HydrophobicContact CD1-CB 3.94Å; F619-K664 HydrophobicContact CD2-CB 4.18Å; F619-K664 HydrophobicContact CD2-CD 4.47Å; F619-K664 HydrophobicContact CE1-CB 4.01Å; F619-K664 HydrophobicContact CE2-CB 4.26Å; F619-K664 HydrophobicContact CE2-CD 4.3Å; F619-K664 HydrophobicContact CG-CB 4.04Å; F619-K664 HydrophobicContact CZ-CB 4.18Å
665	S	97.6	Very high	96.2	Very high	17 Å²	17	18.3 Å²	18.3	12%	0.119	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	157.7	177	-59.2	0	0	0	0	110.1	T566 H567	T566-S665 CarbonylContact O-C 3.42Å; T566-S665 WeakPolarHBondContact O-CA 3.37Å; T566-S665 VanDerWaalsContact O-CB 3.32Å; T566-S665 WeakPolarHBondContact O-CB 3.32Å; H567-S665 PolarHBondContact ND1-OG 3.03Å
666	Y	96.9	Very high	96.2	Very high	27 Å²	27	18.4 Å²	18.4	11%	0.106	10%	0.097	C	C	.	.			trans	-63.4	149.2	176.4	-70.7	-6.2	0	0	0	111.2	H563 F565 T566 V669 H785 L787	H563-Y666 PolarHBondContact O-OH 3.4Å; H563-Y666 VanDerWaalsContact O-OH 3.07Å; F565-Y666 PolarHBondContact N-OH 2.64Å; F565-Y666 WeakPolarHBondContact O-CD1 3.13Å; F565-Y666 WeakPolarHBondContact O-CE1 3.33Å; T566-Y666 HydrophobicContact CG2-CD2 4.12Å; T566-Y666 PolarHBondContact O-N 3.26Å; Y666-V669 PolarHBondContact O-N 3.38Å; Y666-H785 HydrophobicContact CD2-CB 3.9Å; Y666-H785 AromaticContact CD2-CG 3.56Å; Y666-H785 AromaticContact CD2-ND1 3.57Å; Y666-H785 HydrophobicContact CE2-CB 4.32Å; Y666-L787 HydrophobicContact CE1-CD2 4.14Å
667	P	94.2	Very high	96.2	Very high	8 Å²	8	18.4 Å²	18.4	5%	0.052	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	145.1	-179.5	20.6	-31.5	0	0	0	112.2	V669 H785 A805 W895	P667-V669 PolarHBondContact O-N 3.29Å; P667-V669 VanDerWaalsContact O-N 3.16Å; P667-H785 PolarHBondContact O-NE2 3.07Å; P667-A805 HydrophobicContact CB-CB 4.34Å; P667-A805 HydrophobicContact CG-CB 4.14Å; P667-A805 WeakPolarHBondContact O-CB 3.37Å; P667-W895 HydrophobicContact CB-CB 4.48Å; P667-W895 HydrophobicContact CB-CD2 4.18Å; P667-W895 HydrophobicContact CB-CG 3.92Å; P667-W895 HydrophobicContact CG-CD2 4.19Å; P667-W895 HydrophobicContact CG-CG 4.44Å
668	L	91.1	Very high	96.2	Very high	94 Å²	94	18.5 Å²	18.5	49%	0.492	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	16.1	176.6	-50.4	-179	0	0	0	116.3	A805 R807 A808 Y897	L668-A805 HydrophobicContact CB-CB 4.13Å; L668-A805 HydrophobicContact CD1-CB 4.06Å; L668-A805 HydrophobicContact CG-CB 4.22Å; L668-R807 HydrophobicContact CD1-CB 4.3Å; L668-A808 HydrophobicContact CD1-CB 3.94Å; L668-Y897 HydrophobicContact CD1-CE2 4.37Å
669	V	91.7	Very high	96.2	Very high	34 Å²	34	18.5 Å²	18.5	21%	0.206	10%	0.098	C	C	.	.			trans	-88.3	140.2	170.5	-173.4	0	0	0	0	110.5	T566 Y666 P667 V671 H785	T566-V669 HydrophobicContact CG2-CG1 4.06Å; T566-V669 HydrophobicContact CG2-CG2 3.95Å; Y666-V669 PolarHBondContact O-N 3.38Å; P667-V669 PolarHBondContact O-N 3.29Å; P667-V669 VanDerWaalsContact O-N 3.16Å; V669-V671 PolarHBondContact O-N 3.35Å; V669-H785 WeakPolarHBondContact CG2-CE1 3.48Å
670	H	91.9	Very high	96.1	Very high	41 Å²	41	22.1 Å²	22.1	19%	0.19	12%	0.117	C	C	.	.			trans	-66.6	117.6	175.8	-175.9	69.4	0	0	0	111.5	V672 E695 V696 G697 Y848	H670-V672 VanDerWaalsContact CE1-CG2 3.5Å; H670-V672 WeakPolarHBondContact CE1-CG2 3.32Å; H670-E695 IonicContact CD2-OE1 2.91Å; H670-E695 IonicContact CE1-OE1 3.55Å; H670-E695 IonicContact NE2-OE1 3.71Å; H670-E695 PolarHBondContact NE2-OE1 3.36Å; H670-V696 WeakPolarHBondContact O-CA 3.32Å; H670-G697 PolarHBondContact O-N 2.64Å; H670-Y848 HydrophobicContact CB-CD1 3.94Å; H670-Y848 HydrophobicContact CB-CD2 4.13Å; H670-Y848 HydrophobicContact CB-CE1 4.26Å; H670-Y848 HydrophobicContact CB-CE2 4.43Å; H670-Y848 HydrophobicContact CB-CG 3.86Å; H670-Y848 VanDerWaalsContact CD2-CB 3.47Å; H670-Y848 WeakPolarHBondContact CD2-CB 3.45Å; H670-Y848 AromaticContact CG-CG 3.77Å
671	V	94.3	Very high	96.1	Very high	23 Å²	23	25.7 Å²	25.7	14%	0.139	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	124.2	166.9	53	0	0	0	0	110.5	V669 F694 E695 V696	V669-V671 PolarHBondContact O-N 3.35Å; V671-F694 HydrophobicContact CG2-CD1 4.31Å; V671-E695 CarbonylContact C-O 3.58Å; V671-E695 WeakPolarHBondContact CA-O 3.25Å; V671-V696 HydrophobicContact CB-CG1 4.2Å; V671-V696 HydrophobicContact CG2-CG1 3.84Å
672	V	92.4	Very high	96.1	Very high	56 Å²	56	25.6 Å²	25.6	34%	0.339	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	124.9	-178.8	179.1	0	0	0	0	109.6	H670 Q674 F694 E695	H670-V672 VanDerWaalsContact CE1-CG2 3.5Å; H670-V672 WeakPolarHBondContact CE1-CG2 3.32Å; V672-Q674 PolarHBondContact O-N 2.88Å; V672-F694 CarbonylContact O-C 3.59Å; V672-F694 WeakPolarHBondContact O-CA 3.4Å; V672-E695 HydrophobicContact CB-CB 4.5Å; V672-E695 PolarHBondContact N-O 3Å; V672-E695 PolarHBondContact O-N 3.29Å
673	C	95.5	Very high	96	Very high	12 Å²	12	28 Å²	28	8%	0.081	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	122.7	171	-171.1	0	0	0	0	109.6	K419 E622 A675 F694	K419-C673 PolarHBondContact NZ-O 2.78Å; E622-C673 HydrophobicContact CB-CB 4.24Å; E622-C673 HydrophobicContact CG-CB 4.23Å; E622-C673 WeakPolarHBondContact OE2-CB 3.23Å; C673-A675 PolarHBondContact SG-O 3Å; C673-F694 HydrophobicContact CB-CD1 3.97Å; C673-F694 HydrophobicContact CB-CE1 3.87Å
674	Q	91.7	Very high	96	Very high	22 Å²	22	28 Å²	28	10%	0.103	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	-36.2	-176.3	-67.7	-72.7	-18.4	0	0	111.2	K419 V672 S693 E695	K419-Q674 WeakPolarHBondContact CE-O 3.1Å; V672-Q674 PolarHBondContact O-N 2.88Å; Q674-S693 PolarHBondContact N-O 2.76Å; Q674-E695 HydrophobicContact CG-CB 4.05Å
675	A	96.6	Very high	96	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	145.6	172.8	0	0	0	0	0	111.2	C414 K419 C673 F691 A692 S693	C414-A675 HydrophobicContact CB-CB 3.85Å; K419-A675 CarbonylContact O-C 3.38Å; K419-A675 WeakPolarHBondContact O-CA 3.33Å; K419-A675 WeakPolarHBondContact O-CB 3.22Å; C673-A675 PolarHBondContact SG-O 3Å; A675-F691 HydrophobicContact CB-CD2 4.35Å; A675-F691 HydrophobicContact CB-CE2 4.38Å; A675-A692 CarbonylContact O-C 3.58Å; A675-A692 WeakPolarHBondContact O-CA 3.41Å; A675-S693 WeakPolarHBondContact CB-OG 3.34Å; A675-S693 PolarHBondContact N-O 2.76Å; A675-S693 PolarHBondContact N-OG 3.34Å; A675-S693 PolarHBondContact O-N 2.81Å
676	Y	98.7	Very high	96.1	Very high	1 Å²	1	27.4 Å²	27.4	0%	0.004	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	121.4	165.9	-172.8	-145.1	0	0	0	109.1	K419 E621 E622 I624 F626 V661 V690 F691 A692	K419-Y676 WeakPolarHBondContact CA-O 3.27Å; K419-Y676 WeakPolarHBondContact CB-O 3.43Å; K419-Y676 PolarHBondContact N-O 2.87Å; K419-Y676 PolarHBondContact O-N 3.49Å; E621-Y676 HydrophobicContact CG-CE1 3.9Å; E621-Y676 PolarHBondContact OE1-OH 2.89Å; E622-Y676 HydrophobicContact CB-CD1 3.6Å; E622-Y676 HydrophobicContact CB-CE1 4.4Å; E622-Y676 HydrophobicContact CB-CG 4.04Å; E622-Y676 HydrophobicContact CG-CD1 4.05Å; E622-Y676 HydrophobicContact CG-CG 4.3Å; E622-Y676 WeakPolarHBondContact O-CD1 3.17Å; E622-Y676 WeakPolarHBondContact O-CE1 3.44Å; I624-Y676 HydrophobicContact CG1-CD1 4.48Å; I624-Y676 HydrophobicContact CG1-CE1 3.76Å; F626-Y676 AromaticContact CE1-CD1 3.79Å; F626-Y676 HydrophobicContact CE1-CD1 3.79Å; F626-Y676 HydrophobicContact CE1-CD2 4.24Å; F626-Y676 AromaticContact CE1-CE1 3.85Å; F626-Y676 HydrophobicContact CE1-CE1 3.85Å; F626-Y676 HydrophobicContact CE1-CE2 4.25Å; F626-Y676 HydrophobicContact CE1-CG 4.03Å; F626-Y676 HydrophobicContact CZ-CD1 4.45Å; F626-Y676 HydrophobicContact CZ-CD2 4.5Å; F626-Y676 HydrophobicContact CZ-CE1 4.1Å; F626-Y676 HydrophobicContact CZ-CE2 4.1Å; F626-Y676 AromaticContact CZ-CZ 3.92Å; V661-Y676 HydrophobicContact CB-CE2 3.99Å; V661-Y676 HydrophobicContact CG2-CE2 4.25Å; V661-Y676 PolarHBondContact N-OH 2.87Å; V661-Y676 VanDerWaalsContact N-OH 3.08Å; Y676-V690 HydrophobicContact CD2-CG1 4.28Å; Y676-V690 HydrophobicContact CE2-CG1 3.75Å; Y676-F691 WeakPolarHBondContact CA-O 3.32Å; Y676-F691 WeakPolarHBondContact CD2-O 3.4Å; Y676-A692 HydrophobicContact CD2-CB 4.01Å
677	G	98.7	Very high	96.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.3	-176.2	-170	0	0	0	0	0	113.7	L417 V690 F691	L417-G677 WeakPolarHBondContact O-CA 3.5Å; G677-V690 CarbonylContact O-C 3.58Å; G677-V690 WeakPolarHBondContact O-CA 3.12Å; G677-F691 PolarHBondContact N-O 2.9Å; G677-F691 PolarHBondContact O-N 3.33Å
678	C	98.8	Very high	96.4	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.014	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	148.8	175.3	71.1	0	0	0	0	112.2	G416 L417 F626 T629 P689 V690 F691	G416-C678 WeakPolarHBondContact CA-O 3.46Å; L417-C678 PolarHBondContact N-O 2.73Å; L417-C678 PolarHBondContact O-N 3.29Å; L417-C678 VanDerWaalsContact O-N 3.1Å; F626-C678 HydrophobicContact CD2-CB 4.01Å; T629-C678 HydrophobicContact CG2-CB 4.19Å; C678-P689 CarbonylContact C-O 3.43Å; C678-P689 WeakPolarHBondContact CA-O 3.21Å; C678-P689 WeakPolarHBondContact CB-O 3.35Å; C678-V690 HydrophobicContact CB-CG2 4.12Å; C678-F691 VanDerWaalsContact C-CE1 3.47Å
679	T	98.7	Very high	96.7	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.006	12%	0.118	C	C	.	.			trans	-72.7	152.9	173.4	60.6	0	0	0	0	110.8	W411 I682 P689 F691	W411-T679 VanDerWaalsContact CA-CG2 3.49Å; W411-T679 HydrophobicContact CB-CG2 3.85Å; W411-T679 HydrophobicContact CG-CG2 4.34Å; T679-I682 HydrophobicContact CG2-CD1 4.13Å; T679-P689 HydrophobicContact CG2-CB 4.37Å; T679-P689 PolarHBondContact N-O 3.27Å; T679-P689 VanDerWaalsContact OG1-CD 3.23Å; T679-P689 WeakPolarHBondContact OG1-CD 3.42Å; T679-P689 WeakPolarHBondContact OG1-CG 3.48Å; T679-F691 HydrophobicContact CG2-CD1 4.16Å; T679-F691 HydrophobicContact CG2-CE1 4.22Å
680	N	97.2	Very high	97.1	Very high	76 Å²	76	20 Å²	20	41%	0.406	11%	0.109	S	C	.	.	S	Bend	trans	-122.3	5.2	179.4	64.8	-35.2	0	0	0	114	G416 L417 R637 M683	G416-N680 WeakPolarHBondContact CA-OD1 3.27Å; L417-N680 HydrophobicContact CD1-CB 4.31Å; L417-N680 HydrophobicContact CG-CB 4.27Å; R637-N680 WeakPolarHBondContact CG-O 3.46Å; N680-M683 VanDerWaalsContact O-CE 3.25Å; N680-M683 WeakPolarHBondContact O-CE 3.21Å
681	D	97.8	Very high	97.4	Very high	78 Å²	78	18.1 Å²	18.1	42%	0.417	10%	0.1	S	C	.	.	S	Bend	trans	-112.6	-20.8	-179.2	60.7	-23.9	0	0	0	113.6	S410 M683	S410-D681 WeakPolarHBondContact CB-OD1 3Å; S410-D681 WeakPolarHBondContact CB-OD2 3.48Å; S410-D681 PolarHBondContact OG-OD1 3.27Å; S410-D681 PolarHBondContact OG-OD2 2.89Å; D681-M683 PolarHBondContact O-N 2.79Å
682	I	98.3	Very high	97.6	Very high	1 Å²	1	17 Å²	17	1%	0.005	9%	0.093	C	C	.	.			trans	-87.2	105.3	175.9	-62	167.2	0	0	0	109.7	W397 P405 I408 W411 R637 T679 P689	W397-I682 HydrophobicContact CH2-CG2 3.55Å; W397-I682 HydrophobicContact CZ2-CG2 3.54Å; W397-I682 HydrophobicContact CZ3-CG2 4.25Å; P405-I682 HydrophobicContact CG-CB 4.49Å; P405-I682 HydrophobicContact CG-CG1 4.33Å; P405-I682 HydrophobicContact CG-CG2 3.97Å; I408-I682 HydrophobicContact CB-CD1 3.89Å; I408-I682 HydrophobicContact CG2-CD1 3.9Å; I408-I682 HydrophobicContact CG2-CG1 4.28Å; W411-I682 HydrophobicContact CB-CD1 3.99Å; R637-I682 PolarHBondContact NH1-O 2.73Å; T679-I682 HydrophobicContact CG2-CD1 4.13Å; I682-P689 HydrophobicContact CB-CG 3.85Å; I682-P689 HydrophobicContact CD1-CG 3.92Å; I682-P689 HydrophobicContact CG2-CG 3.6Å
683	M	98.3	Very high	97.9	Very high	53 Å²	53	14.4 Å²	14.4	26%	0.261	8%	0.077	S	C	.	.			trans	-119.6	1.8	-166.1	-52.5	-170.2	-170.4	0	0	116.6	D635 T636 R637 N680 D681 S685	D635-M683 VanDerWaalsContact C-SD 3.6Å; D635-M683 PolarHBondContact N-O 2.92Å; T636-M683 WeakPolarHBondContact CA-SD 3.45Å; R637-M683 HydrophobicContact CG-CE 3.99Å; R637-M683 HydrophobicContact CG-CG 3.98Å; R637-M683 HydrophobicContact CG-SD 4.14Å; R637-M683 PolarHBondContact NH2-O 3.23Å; N680-M683 VanDerWaalsContact O-CE 3.25Å; N680-M683 WeakPolarHBondContact O-CE 3.21Å; D681-M683 PolarHBondContact O-N 2.79Å; M683-S685 PolarHBondContact O-N 2.9Å
684	T	98.2	Very high	98	Very high	31 Å²	31	14.3 Å²	14.3	19%	0.19	8%	0.075	C	C	.	.	S	Bend	trans	-68.1	-17.7	-174.9	59.9	0	0	0	0	114.3	A402 G403 P405 R634	A402-T684 WeakPolarHBondContact CB-O 3.33Å; G403-T684 WeakPolarHBondContact O-CB 3.44Å; G403-T684 PolarHBondContact O-OG1 2.99Å; P405-T684 HydrophobicContact CB-CG2 4.15Å; P405-T684 HydrophobicContact CG-CG2 4.37Å; R634-T684 VanDerWaalsContact CD-O 3.29Å; R634-T684 WeakPolarHBondContact CD-O 3.49Å; R634-T684 PolarHBondContact NH1-O 3.37Å; R634-T684 VanDerWaalsContact NH1-O 3.12Å
685	S	98.4	Very high	98	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.073	C	C	.	.	S	Bend	trans	-108.6	155.2	175.5	179.5	0	0	0	0	111.7	N398 R637 M683 H687	N398-S685 WeakPolarHBondContact O-CB 3.3Å; N398-S685 PolarHBondContact O-OG 2.9Å; R637-S685 PolarHBondContact NH1-O 2.71Å; R637-S685 VanDerWaalsContact NH1-O 3.09Å; R637-S685 PolarHBondContact NH2-O 2.9Å; M683-S685 PolarHBondContact O-N 2.9Å; S685-H687 CarbonylContact C-O 3.44Å; S685-H687 WeakPolarHBondContact CB-O 3.3Å; S685-H687 PolarHBondContact O-N 2.92Å; S685-H687 PolarHBondContact OG-N 3.05Å
686	D	97.8	Very high	97.9	Very high	16 Å²	16	13.8 Å²	13.8	9%	0.086	7%	0.073	C	C	.	.	S	Bend	trans	-76.7	3.4	166.5	47.8	-50.5	0	0	0	113.7	R631 F632 R634	R631-D686 WeakPolarHBondContact CA-O 3.12Å; R631-D686 HydrophobicContact CG-CB 3.95Å; R631-D686 IonicContact CZ-OD2 3.16Å; R631-D686 IonicContact NE-OD2 3.34Å; R631-D686 PolarHBondContact NE-OD2 3.35Å; R631-D686 IonicContact NH2-OD2 2.7Å; R631-D686 PolarHBondContact NH2-OD2 2.74Å; F632-D686 PolarHBondContact N-O 2.8Å; F632-D686 WeakPolarHBondContact O-CB 3.49Å; R634-D686 HydrophobicContact CG-CB 4.44Å; R634-D686 IonicContact CZ-OD1 2.73Å; R634-D686 IonicContact NE-OD1 2.63Å; R634-D686 PolarHBondContact NE-OD1 3.12Å; R634-D686 VanDerWaalsContact NE-OD1 3.16Å; R634-D686 IonicContact NH2-OD1 2.69Å; R634-D686 PolarHBondContact NH2-OD1 2.81Å
687	H	98.7	Very high	97.6	Very high	7 Å²	7	14 Å²	14	3%	0.032	8%	0.076	C	C	.	.	B	Isolated β-bridge	trans	-110.2	153.5	158.4	-63.3	-123.8	0	0	0	110.9	W397 N398 D573 T629 Y630 R637 D659 S685	W397-H687 PolarHBondContact NE1-O 2.95Å; N398-H687 HydrophobicContact CB-CB 4.12Å; N398-H687 PolarHBondContact ND2-NE2 2.99Å; D573-H687 IonicContact OD2-CE1 3.27Å; D573-H687 PolarHBondContact OD2-CE1 3.27Å; D573-H687 IonicContact OD2-NE2 2.67Å; T629-H687 WeakPolarHBondContact O-CA 3.43Å; Y630-H687 AromaticContact CD2-CD2 3.51Å; Y630-H687 AromaticContact CD2-CE1 3.43Å; Y630-H687 VanDerWaalsContact CD2-CE1 3.43Å; Y630-H687 WeakPolarHBondContact CD2-CE1 3.31Å; Y630-H687 AromaticContact CD2-CG 3.9Å; Y630-H687 AromaticContact CD2-ND1 3.86Å; Y630-H687 AromaticContact CD2-NE2 3.15Å; Y630-H687 WeakPolarHBondContact CD2-NE2 3.33Å; Y630-H687 AromaticContact CE2-CD2 3.97Å; Y630-H687 AromaticContact CE2-CE1 3.99Å; Y630-H687 AromaticContact CE2-NE2 3.38Å; Y630-H687 WeakPolarHBondContact CE2-NE2 3.43Å; R637-H687 PolarHBondContact NH1-O 3.13Å; D659-H687 VanDerWaalsContact CG-ND1 3.34Å; D659-H687 IonicContact OD1-CE1 3.37Å; D659-H687 IonicContact OD1-CG 2.69Å; D659-H687 IonicContact OD1-ND1 3.89Å; D659-H687 PolarHBondContact OD1-ND1 2.57Å; D659-H687 IonicContact OD2-CE1 3.59Å; D659-H687 IonicContact OD2-CG 3.47Å; D659-H687 IonicContact OD2-ND1 3.39Å; D659-H687 PolarHBondContact OD2-ND1 2.99Å; S685-H687 CarbonylContact C-O 3.44Å; S685-H687 WeakPolarHBondContact CB-O 3.3Å; S685-H687 PolarHBondContact O-N 2.92Å; S685-H687 PolarHBondContact OG-N 3.05Å
688	S	98.8	Very high	97.2	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.007	8%	0.077	C	C	.	.			trans	-102.3	134.1	170.2	-59.5	0	0	0	0	111	T629 F632 R637 V690	T629-S688 PolarHBondContact O-N 3.03Å; F632-S688 WeakPolarHBondContact CD2-OG 3.43Å; F632-S688 VanDerWaalsContact CE2-OG 3.24Å; F632-S688 WeakPolarHBondContact CE2-OG 3.33Å; R637-S688 WeakPolarHBondContact CD-OG 3.27Å; R637-S688 PolarHBondContact NH1-OG 2.96Å; S688-V690 PolarHBondContact O-N 3.3Å
689	P	98.9	Very high	96.6	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.082	C	C	.	.			trans	-53.2	134.2	177.6	-21.1	23.8	0	0	0	113.4	W397 W411 C678 T679 I682	W397-P689 HydrophobicContact CB-CB 4.07Å; W397-P689 HydrophobicContact CB-CG 4.37Å; W397-P689 HydrophobicContact CD2-CB 4.31Å; W397-P689 HydrophobicContact CD2-CG 3.66Å; W397-P689 HydrophobicContact CE3-CG 4.2Å; W397-P689 HydrophobicContact CG-CB 3.94Å; W397-P689 HydrophobicContact CG-CG 3.71Å; W397-P689 HydrophobicContact CZ2-CG 4.33Å; W411-P689 HydrophobicContact CD2-CB 3.93Å; W411-P689 HydrophobicContact CG-CB 3.9Å; W411-P689 HydrophobicContact CZ2-CB 4.32Å; C678-P689 CarbonylContact C-O 3.43Å; C678-P689 WeakPolarHBondContact CA-O 3.21Å; C678-P689 WeakPolarHBondContact CB-O 3.35Å; T679-P689 HydrophobicContact CG2-CB 4.37Å; T679-P689 PolarHBondContact N-O 3.27Å; T679-P689 VanDerWaalsContact OG1-CD 3.23Å; T679-P689 WeakPolarHBondContact OG1-CD 3.42Å; T679-P689 WeakPolarHBondContact OG1-CG 3.48Å; I682-P689 HydrophobicContact CB-CG 3.85Å; I682-P689 HydrophobicContact CD1-CG 3.92Å; I682-P689 HydrophobicContact CG2-CG 3.6Å
690	V	98.9	Very high	95.7	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	136.9	174.1	168.3	0	0	0	0	109.7	G395 T396 W411 F626 T629 D659 V661 Y676 G677 C678 S688	G395-V690 CarbonylContact C-O 3.56Å; G395-V690 WeakPolarHBondContact CA-O 3.08Å; T396-V690 HydrophobicContact CG2-CB 3.83Å; T396-V690 HydrophobicContact CG2-CG1 4.11Å; T396-V690 PolarHBondContact N-O 3.39Å; T396-V690 PolarHBondContact O-N 3.18Å; W411-V690 PolarHBondContact NE1-O 3.09Å; F626-V690 HydrophobicContact CE2-CG2 4.18Å; T629-V690 HydrophobicContact CG2-CG2 3.4Å; T629-V690 VanDerWaalsContact CG2-CG2 3.4Å; D659-V690 HydrophobicContact CB-CB 4.41Å; D659-V690 HydrophobicContact CB-CG2 3.78Å; V661-V690 HydrophobicContact CG2-CG1 4.28Å; Y676-V690 HydrophobicContact CD2-CG1 4.28Å; Y676-V690 HydrophobicContact CE2-CG1 3.75Å; G677-V690 CarbonylContact O-C 3.58Å; G677-V690 WeakPolarHBondContact O-CA 3.12Å; C678-V690 HydrophobicContact CB-CG2 4.12Å; S688-V690 PolarHBondContact O-N 3.3Å
691	F	98.9	Very high	94.5	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	145.3	172.9	52.3	-98.7	0	0	0	110.4	F393 C414 K415 T420 A675 Y676 G677 C678 T679	F393-F691 HydrophobicContact CE2-CB 3.8Å; F393-F691 HydrophobicContact CZ-CB 4.14Å; C414-F691 VanDerWaalsContact C-CZ 3.41Å; C414-F691 HydrophobicContact CB-CD2 3.4Å; C414-F691 VanDerWaalsContact CB-CD2 3.4Å; C414-F691 HydrophobicContact CB-CE2 3.65Å; C414-F691 HydrophobicContact CB-CG 3.95Å; C414-F691 HydrophobicContact CB-CZ 4.35Å; C414-F691 WeakPolarHBondContact O-CE2 2.97Å; C414-F691 WeakPolarHBondContact O-CZ 3.44Å; K415-F691 WeakPolarHBondContact O-CE1 3.49Å; T420-F691 HydrophobicContact CG2-CZ 4.34Å; A675-F691 HydrophobicContact CB-CD2 4.35Å; A675-F691 HydrophobicContact CB-CE2 4.38Å; Y676-F691 WeakPolarHBondContact CA-O 3.32Å; Y676-F691 WeakPolarHBondContact CD2-O 3.4Å; G677-F691 PolarHBondContact N-O 2.9Å; G677-F691 PolarHBondContact O-N 3.33Å; C678-F691 VanDerWaalsContact C-CE1 3.47Å; T679-F691 HydrophobicContact CG2-CD1 4.16Å; T679-F691 HydrophobicContact CG2-CE1 4.22Å
692	A	98.8	Very high	93.2	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	152.6	158.3	0	0	0	0	0	109.2	V394 V661 A675 Y676 F694	V394-A692 PolarHBondContact N-O 2.56Å; V394-A692 PolarHBondContact O-N 3.23Å; V661-A692 HydrophobicContact CB-CB 4.05Å; V661-A692 HydrophobicContact CG1-CB 3.95Å; V661-A692 HydrophobicContact CG2-CB 4.17Å; A675-A692 CarbonylContact O-C 3.58Å; A675-A692 WeakPolarHBondContact O-CA 3.41Å; Y676-A692 HydrophobicContact CD2-CB 4.01Å; A692-F694 HydrophobicContact CB-CE2 3.71Å; A692-F694 HydrophobicContact CB-CZ 3.9Å
693	S	97.7	Very high	91.5	Very high	2 Å²	2	23 Å²	23	1%	0.014	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	142.1	164.9	64.6	0	0	0	0	111.1	V392 Q674 A675	V392-S693 WeakPolarHBondContact O-CA 3.47Å; Q674-S693 PolarHBondContact N-O 2.76Å; A675-S693 WeakPolarHBondContact CB-OG 3.34Å; A675-S693 PolarHBondContact N-O 2.76Å; A675-S693 PolarHBondContact N-OG 3.34Å; A675-S693 PolarHBondContact O-N 2.81Å
694	F	97.3	Very high	89.6	Confident	9 Å²	9	22.5 Å²	22.5	4%	0.039	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	139.3	-175.3	-58	-84.3	0	0	0	110.2	T391 V392 V394 I569 V661 R663 V671 V672 C673 A692 V696	T391-F694 CarbonylContact C-O 3.52Å; T391-F694 VanDerWaalsContact CA-O 3.27Å; T391-F694 WeakPolarHBondContact CA-O 3.37Å; V392-F694 PolarHBondContact N-O 3.2Å; V392-F694 PolarHBondContact O-N 3.07Å; V394-F694 HydrophobicContact CB-CE2 4.25Å; V394-F694 HydrophobicContact CG2-CD2 4.02Å; V394-F694 HydrophobicContact CG2-CE2 3.94Å; I569-F694 HydrophobicContact CD1-CD2 3.95Å; I569-F694 HydrophobicContact CD1-CE2 4.11Å; I569-F694 HydrophobicContact CG2-CE2 4.49Å; V661-F694 HydrophobicContact CG1-CE2 4.1Å; V661-F694 HydrophobicContact CG1-CZ 4.09Å; R663-F694 HydrophobicContact CG-CE1 4.45Å; V671-F694 HydrophobicContact CG2-CD1 4.31Å; V672-F694 CarbonylContact O-C 3.59Å; V672-F694 WeakPolarHBondContact O-CA 3.4Å; C673-F694 HydrophobicContact CB-CD1 3.97Å; C673-F694 HydrophobicContact CB-CE1 3.87Å; A692-F694 HydrophobicContact CB-CE2 3.71Å; A692-F694 HydrophobicContact CB-CZ 3.9Å; F694-V696 HydrophobicContact CB-CG1 4.19Å
695	E	93	Very high	87.7	Confident	12 Å²	12	30.4 Å²	30.4	6%	0.056	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	129	159	-175.4	-177.3	85.4	0	0	107.2	M389 H670 V671 V672 Q674	M389-E695 HydrophobicContact CE-CG 3.57Å; M389-E695 HydrophobicContact CG-CG 3.9Å; M389-E695 HydrophobicContact SD-CG 3.38Å; M389-E695 WeakPolarHBondContact SD-CG 3.48Å; H670-E695 IonicContact CD2-OE1 2.91Å; H670-E695 IonicContact CE1-OE1 3.55Å; H670-E695 IonicContact NE2-OE1 3.71Å; H670-E695 PolarHBondContact NE2-OE1 3.36Å; V671-E695 CarbonylContact C-O 3.58Å; V671-E695 WeakPolarHBondContact CA-O 3.25Å; V672-E695 HydrophobicContact CB-CB 4.5Å; V672-E695 PolarHBondContact N-O 3Å; V672-E695 PolarHBondContact O-N 3.29Å; Q674-E695 HydrophobicContact CG-CB 4.05Å
696	V	94.5	Very high	85.7	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	136.7	-175.8	-68.4	0	0	0	0	110.4	M389 I390 V392 F521 H670 V671 F694	M389-V696 CarbonylContact C-O 3.53Å; M389-V696 VanDerWaalsContact CA-O 3.26Å; M389-V696 WeakPolarHBondContact CA-O 3.35Å; M389-V696 VanDerWaalsContact CG-O 3.24Å; M389-V696 WeakPolarHBondContact CG-O 3.35Å; I390-V696 HydrophobicContact CD1-CG2 4.33Å; I390-V696 HydrophobicContact CG1-CG2 3.53Å; I390-V696 PolarHBondContact N-O 2.67Å; I390-V696 PolarHBondContact O-N 3.16Å; V392-V696 HydrophobicContact CG2-CG2 3.88Å; F521-V696 HydrophobicContact CE1-CG2 3.99Å; F521-V696 HydrophobicContact CZ-CB 4.49Å; F521-V696 HydrophobicContact CZ-CG2 3.81Å; H670-V696 WeakPolarHBondContact O-CA 3.32Å; V671-V696 HydrophobicContact CB-CG1 4.2Å; V671-V696 HydrophobicContact CG2-CG1 3.84Å; F694-V696 HydrophobicContact CB-CG1 4.19Å
697	G	91.5	Very high	83.6	Confident	5 Å²	5	38 Å²	38	5%	0.052	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	144.6	168.8	0	0	0	0	0	110.6	D388 H670	D388-G697 WeakPolarHBondContact O-CA 3.36Å; H670-G697 PolarHBondContact O-N 2.64Å
698	V	91.1	Very high	81.2	Confident	4 Å²	4	44 Å²	44	2%	0.024	24%	0.238	C	C	.	.			trans	-133.6	139.6	175	-70.6	0	0	0	0	111	P387 D388 I390 F516 T519 F521	P387-V698 HydrophobicContact CG-CG2 4.46Å; P387-V698 WeakPolarHBondContact O-CG2 3.28Å; D388-V698 CarbonylContact C-O 3.44Å; D388-V698 PolarHBondContact O-N 3.27Å; I390-V698 HydrophobicContact CD1-CG1 4.02Å; I390-V698 HydrophobicContact CG1-CG1 3.9Å; I390-V698 HydrophobicContact CG2-CG2 4.13Å; F516-V698 HydrophobicContact CD1-CB 4.25Å; F516-V698 HydrophobicContact CD1-CG1 4.09Å; F516-V698 HydrophobicContact CD1-CG2 4.32Å; F516-V698 HydrophobicContact CE1-CG2 4.15Å; T519-V698 HydrophobicContact CG2-CG1 4.14Å; T519-V698 VanDerWaalsContact OG1-CA 3.24Å; T519-V698 WeakPolarHBondContact OG1-CA 3.4Å; T519-V698 WeakPolarHBondContact OG1-CB 3.2Å; F521-V698 HydrophobicContact CE2-CG1 4Å; F521-V698 HydrophobicContact CZ-CG1 3.99Å
699	A	86.4	Confident	78.7	Confident	16 Å²	16	51 Å²	51	13%	0.132	28%	0.276	C	S	.	.			trans	-85.6	143.1	175.8	0	0	0	0	0	111.6	N517 G518 T519 E783	N517-A699 WeakPolarHBondContact CB-O 3.41Å; G518-A699 PolarHBondContact N-O 3.33Å; T519-A699 PolarHBondContact OG1-N 2.97Å; A699-E783 HydrophobicContact CB-CB 4.24Å
700	S	79.6	Confident	76.7	Confident	43 Å²	43	53.6 Å²	53.6	30%	0.301	29%	0.294	S	S	.	.			trans	-65.2	159.7	174.9	-96.3	0	0	0	0	113.8	E386 F702	E386-S700 WeakPolarHBondContact OE2-CA 3.49Å; E386-S700 WeakPolarHBondContact OE2-CB 3.26Å; E386-S700 PolarHBondContact OE2-OG 2.76Å; S700-F702 VanDerWaalsContact C-N 3.32Å; S700-F702 PolarHBondContact O-N 3.45Å
701	Q	72.7	Confident	74.5	Confident	103 Å²	103	57.3 Å²	57.3	48%	0.481	33%	0.325	S	S	.	.			trans	-76.8	86.7	164.6	-64	-169.1	49.9	0	0	108.9	E386 N517 V703	E386-Q701 PolarHBondContact OE2-N 2.98Å; N517-Q701 HydrophobicContact CB-CG 3.67Å; N517-Q701 PolarHBondContact OD1-NE2 2.92Å; Q701-V703 PolarHBondContact O-N 2.75Å
702	F	68.9	Low	72.5	Confident	59 Å²	59	60.4 Å²	60.4	26%	0.259	35%	0.345	S	S	.	.			trans	-74.5	124.8	-172.8	-152.4	-75.9	0	0	0	111.8	S700 I775 D777 D779 Y780	S700-F702 VanDerWaalsContact C-N 3.32Å; S700-F702 PolarHBondContact O-N 3.45Å; F702-I775 HydrophobicContact CD1-CD1 4.15Å; F702-I775 HydrophobicContact CD1-CG2 4.04Å; F702-I775 HydrophobicContact CE1-CG2 4.06Å; F702-D777 HydrophobicContact CE1-CB 3.91Å; F702-D777 HydrophobicContact CZ-CB 3.76Å; F702-D777 VanDerWaalsContact CZ-CG 3.42Å; F702-D777 WeakPolarHBondContact CZ-OD2 3.5Å; F702-D779 HydrophobicContact CE2-CB 4.47Å; F702-Y780 HydrophobicContact CB-CD2 3.57Å; F702-Y780 HydrophobicContact CB-CE2 4.27Å; F702-Y780 HydrophobicContact CB-CG 4.33Å; F702-Y780 HydrophobicContact CD2-CD2 4.44Å; F702-Y780 AromaticContact CG-CD2 3.96Å; F702-Y780 HydrophobicContact CG-CD2 3.96Å; F702-Y780 HydrophobicContact CG-CG 4.25Å
703	V	63.5	Low	70.5	Confident	122 Å²	122	68.7 Å²	68.7	74%	0.739	38%	0.383	S	S	*	.			trans	-113.5	129.9	168.6	-178.3	0	0	0	0	107.4	Q701	Q701-V703 PolarHBondContact O-N 2.75Å
704	S	58.3	Low	68.9	Low	43 Å²	43	69 Å²	69	30%	0.301	39%	0.387	S	S	.	.			trans	-62.7	142	-178.4	-167.7	0	0	0	0	111.7	Q706	S704-Q706 VanDerWaalsContact C-N 3.34Å; S704-Q706 WeakPolarHBondContact OG-CB 3.18Å; S704-Q706 PolarHBondContact OG-N 3.32Å; S704-Q706 VanDerWaalsContact OG-N 3.14Å
705	K	58.5	Low	68.2	Low	196 Å²	196	68.9 Å²	68.9	85%	0.852	39%	0.388	S	S	*	.	S	Bend	trans	-88	-5.5	168.6	-63.5	173.5	-175.7	165.1	0	112.6
706	Q	55.6	Low	68.2	Low	80 Å²	80	68.3 Å²	68.3	37%	0.374	39%	0.385	S	S	.	.	S	Bend	trans	-83.8	150.1	176.7	-62.2	171	-24.3	0	0	110	S704 S776	S704-Q706 VanDerWaalsContact C-N 3.34Å; S704-Q706 WeakPolarHBondContact OG-CB 3.18Å; S704-Q706 PolarHBondContact OG-N 3.32Å; S704-Q706 VanDerWaalsContact OG-N 3.14Å; Q706-S776 PolarHBondContact NE2-OG 3.18Å; Q706-S776 PolarHBondContact OE1-OG 2.92Å
707	D	54.2	Low	68.1	Low	97 Å²	97	68.9 Å²	68.9	52%	0.519	39%	0.388	S	S	.	.			trans	-60.7	133.2	173	-171.7	-50.9	0	0	0	109.7	N709 S710	D707-N709 PolarHBondContact O-N 3.27Å; D707-N709 WeakPolarHBondContact OD1-CB 3.22Å; D707-N709 PolarHBondContact OD1-N 2.97Å; D707-N709 PolarHBondContact OD1-ND2 3.36Å; D707-S710 WeakPolarHBondContact O-CB 3.36Å; D707-S710 PolarHBondContact O-N 2.67Å; D707-S710 PolarHBondContact O-OG 3.49Å
708	P	47.5	Very low	68.2	Low	131 Å²	131	68.7 Å²	68.7	85%	0.851	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-22.5	176.5	-27.6	35.5	0	0	0	115.2
709	N	47.9	Very low	68.3	Low	150 Å²	150	70.4 Å²	70.4	80%	0.802	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-6.1	177.5	-54.6	-80.6	0	0	0	113.3	D707	D707-N709 PolarHBondContact O-N 3.27Å; D707-N709 WeakPolarHBondContact OD1-CB 3.22Å; D707-N709 PolarHBondContact OD1-N 2.97Å; D707-N709 PolarHBondContact OD1-ND2 3.36Å
710	S	55.7	Low	68.6	Low	53 Å²	53	73.1 Å²	73.1	37%	0.371	41%	0.406	S	S	.	.	S	Bend	trans	-82.6	124.9	177	66.9	0	0	0	0	110.9	D707	D707-S710 WeakPolarHBondContact O-CB 3.36Å; D707-S710 PolarHBondContact O-N 2.67Å; D707-S710 PolarHBondContact O-OG 3.49Å
711	A	53.9	Low	69.4	Low	79 Å²	79	71.3 Å²	71.3	65%	0.653	39%	0.394	S	S	*	.			trans	-63.2	135.7	-178	0	0	0	0	0	111.2	Q713	A711-Q713 PolarHBondContact O-N 3.03Å
712	P	56.2	Low	70.6	Confident	64 Å²	64	67.7 Å²	67.7	42%	0.416	38%	0.378	S	S	.	.			trans	-56.1	112.9	178.9	-27	34.9	0	0	0	111.9	G714 T772	P712-G714 PolarHBondContact O-N 3.01Å; P712-G714 VanDerWaalsContact O-N 3.12Å; P712-T772 HydrophobicContact CB-CG2 4.41Å; P712-T772 HydrophobicContact CG-CG2 4.31Å
713	Q	57.8	Low	71.9	Confident	175 Å²	175	64.9 Å²	64.9	82%	0.818	37%	0.366	S	S	*	.	S	Bend	trans	-79.5	15.6	178.9	-64.9	-169.4	-10.3	0	0	113.2	A711	A711-Q713 PolarHBondContact O-N 3.03Å
714	G	63.7	Low	73.5	Confident	9 Å²	9	61.7 Å²	61.7	9%	0.093	34%	0.344	C	S	.	.			trans	-140.5	157	-179.3	0	0	0	0	0	112.4	P712 P773 R837	P712-G714 PolarHBondContact O-N 3.01Å; P712-G714 VanDerWaalsContact O-N 3.12Å; G714-P773 WeakPolarHBondContact O-CD 3.46Å; G714-R837 CarbonylContact C-O 3.57Å; G714-R837 WeakPolarHBondContact CA-O 3.41Å
715	G	82.4	Confident	75.4	Confident	5 Å²	5	59.7 Å²	59.7	5%	0.052	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	151	-173.2	0	0	0	0	0	112.1	R837	G715-R837 PolarHBondContact N-O 3.36Å; G715-R837 WeakPolarHBondContact O-CB 3.49Å; G715-R837 PolarHBondContact O-N 3.02Å
716	I	91.8	Very high	77.1	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	123	-178.1	-53.7	160.1	0	0	0	107.5	L771 P773 I786 L806 I834 L836	I716-L771 HydrophobicContact CB-CB 4.19Å; I716-L771 HydrophobicContact CB-CD1 4.47Å; I716-L771 HydrophobicContact CG2-CD1 4.33Å; I716-L771 PolarHBondContact N-O 3.11Å; I716-L771 PolarHBondContact O-N 2.68Å; I716-P773 HydrophobicContact CD1-CB 4.37Å; I716-I786 HydrophobicContact CD1-CD1 4.16Å; I716-L806 HydrophobicContact CD1-CD1 3.5Å; I716-L806 HydrophobicContact CD1-CD2 4.24Å; I716-L806 HydrophobicContact CG1-CD1 4.02Å; I716-L806 HydrophobicContact CG1-CD2 4.48Å; I716-L806 HydrophobicContact CG2-CD2 3.84Å; I716-I834 HydrophobicContact CG2-CD1 3.94Å; I716-I834 HydrophobicContact CG2-CG1 4.09Å; I716-L836 HydrophobicContact CB-CD2 4.5Å; I716-L836 HydrophobicContact CG1-CD2 3.98Å; I716-L836 HydrophobicContact CG2-CD2 4.3Å
717	Q	92.5	Very high	78.9	Confident	13 Å²	13	52.9 Å²	52.9	6%	0.061	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	121.8	177.9	-60.1	-165	-30.3	0	0	110.2	K768 V769 E770 I834 Q835 R837	Q717-K768 VanDerWaalsContact CD-CE 3.49Å; Q717-V769 WeakPolarHBondContact CA-O 2.97Å; Q717-E770 HydrophobicContact CG-CG 4.3Å; Q717-E770 PolarHBondContact NE2-OE1 2.89Å; Q717-E770 PolarHBondContact NE2-OE2 2.84Å; Q717-I834 CarbonylContact O-C 3.51Å; Q717-I834 VanDerWaalsContact O-CA 3.29Å; Q717-I834 WeakPolarHBondContact O-CA 3.46Å; Q717-Q835 PolarHBondContact N-O 3.47Å; Q717-Q835 PolarHBondContact O-N 3.13Å; Q717-R837 VanDerWaalsContact NE2-NE 3.13Å; Q717-R837 VanDerWaalsContact NE2-NH1 3.15Å
718	I	93.9	Very high	80.5	Confident	1 Å²	1	57.2 Å²	57.2	1%	0.005	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	132.1	173.5	-63.7	-178.9	0	0	0	107	C721 F737 K768 V769 L771 I786 F816 G833 I834	I718-C721 WeakPolarHBondContact CG2-SG 3.44Å; I718-F737 HydrophobicContact CD1-CD1 3.64Å; I718-F737 HydrophobicContact CD1-CE1 3.5Å; I718-F737 VanDerWaalsContact CD1-CE1 3.5Å; I718-F737 HydrophobicContact CD1-CG 4.41Å; I718-F737 HydrophobicContact CD1-CZ 4.17Å; I718-F737 HydrophobicContact CG2-CE1 4.09Å; I718-F737 HydrophobicContact CG2-CZ 4.07Å; I718-K768 CarbonylContact O-C 3.57Å; I718-K768 WeakPolarHBondContact O-CA 3.46Å; I718-V769 PolarHBondContact N-O 2.8Å; I718-V769 PolarHBondContact O-N 3.35Å; I718-L771 HydrophobicContact CD1-CD1 3.78Å; I718-L771 HydrophobicContact CG1-CD1 4.42Å; I718-I786 HydrophobicContact CD1-CG2 4.3Å; I718-F816 HydrophobicContact CG2-CE1 4.35Å; I718-F816 HydrophobicContact CG2-CZ 4.28Å; I718-G833 CarbonylContact C-O 3.53Å; I718-G833 WeakPolarHBondContact CA-O 3.43Å; I718-I834 HydrophobicContact CD1-CD1 4.5Å; I718-I834 HydrophobicContact CG1-CD1 4.15Å; I718-I834 HydrophobicContact CG1-CG1 4.16Å
719	M	92.8	Very high	82.3	Confident	39 Å²	39	52.7 Å²	52.7	19%	0.192	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	155.3	-168.1	-62.3	-166.4	-62.4	0	0	112.4	C721 N767 K768 Y813 G832 G833	M719-C721 VanDerWaalsContact C-N 3.28Å; M719-C721 PolarHBondContact O-N 2.73Å; M719-N767 CarbonylContact C-O 3.56Å; M719-N767 WeakPolarHBondContact CA-O 3.29Å; M719-N767 VanDerWaalsContact CB-O 3.25Å; M719-N767 WeakPolarHBondContact CB-O 3.48Å; M719-K768 HydrophobicContact CG-CB 4.24Å; M719-K768 HydrophobicContact CG-CG 4.09Å; M719-K768 HydrophobicContact SD-CG 4.49Å; M719-Y813 HydrophobicContact CB-CE2 4.49Å; M719-Y813 HydrophobicContact CE-CD2 3.45Å; M719-Y813 VanDerWaalsContact CE-CD2 3.45Å; M719-Y813 HydrophobicContact CE-CE2 3.47Å; M719-Y813 VanDerWaalsContact CE-CE2 3.47Å; M719-Y813 HydrophobicContact CE-CG 4.45Å; M719-G832 CarbonylContact O-C 3.51Å; M719-G832 WeakPolarHBondContact O-CA 3.37Å; M719-G833 PolarHBondContact N-O 3.1Å; M719-G833 PolarHBondContact O-N 2.97Å
720	N	93.1	Very high	84.1	Confident	74 Å²	74	52.7 Å²	52.7	40%	0.396	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	53.6	36.8	171.3	-52.6	-24.6	0	0	0	114.6	V722 N767	N720-V722 PolarHBondContact O-N 3.41Å; N720-N767 PolarHBondContact N-O 2.77Å; N720-N767 PolarHBondContact OD1-O 2.69Å
721	C	96.5	Very high	85.9	Confident	5 Å²	5	50.5 Å²	50.5	3%	0.034	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	122	-175.8	-78.7	0	0	0	0	112	I718 M719 I735 F765 L830 T831	I718-C721 WeakPolarHBondContact CG2-SG 3.44Å; M719-C721 VanDerWaalsContact C-N 3.28Å; M719-C721 PolarHBondContact O-N 2.73Å; C721-I735 HydrophobicContact CB-CD1 3.92Å; C721-F765 HydrophobicContact CB-CB 4.09Å; C721-F765 HydrophobicContact CB-CD2 4.17Å; C721-F765 PolarHBondContact O-N 2.73Å; C721-L830 HydrophobicContact CB-CD1 4.31Å; C721-T831 CarbonylContact C-O 3.59Å; C721-T831 WeakPolarHBondContact CA-O 3.41Å
722	V	97.4	Very high	87.8	Confident	26 Å²	26	53.8 Å²	53.8	16%	0.158	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	115.4	174.4	174.7	0	0	0	0	109.9	N720 K762 V763 W764 T831	N720-V722 PolarHBondContact O-N 3.41Å; V722-K762 HydrophobicContact CG1-CD 4.34Å; V722-K762 HydrophobicContact CG1-CG 3.83Å; V722-V763 CarbonylContact C-O 3.58Å; V722-V763 VanDerWaalsContact CA-O 3.23Å; V722-V763 WeakPolarHBondContact CA-O 3.37Å; V722-W764 HydrophobicContact CG2-CB 4.25Å; V722-W764 HydrophobicContact CG2-CG 4.36Å; V722-T831 PolarHBondContact N-O 3.43Å; V722-T831 PolarHBondContact O-N 2.95Å; V722-T831 PolarHBondContact O-OG1 2.86Å
723	A	97.5	Very high	89.8	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	153.7	169.1	0	0	0	0	0	111.3	L725 K762 V763 F765 L820 T829 L830	A723-L725 HydrophobicContact CB-CD2 4.11Å; A723-L725 HydrophobicContact CB-CG 4.21Å; A723-K762 CarbonylContact O-C 3.59Å; A723-K762 VanDerWaalsContact O-CA 3.32Å; A723-K762 WeakPolarHBondContact O-CA 3.15Å; A723-V763 PolarHBondContact N-O 2.93Å; A723-V763 PolarHBondContact O-N 3.42Å; A723-F765 HydrophobicContact CB-CE2 3.71Å; A723-F765 HydrophobicContact CB-CZ 4.27Å; A723-L820 HydrophobicContact CB-CD1 4.31Å; A723-T829 CarbonylContact C-O 3.56Å; A723-T829 WeakPolarHBondContact CA-O 3.41Å; A723-L830 HydrophobicContact CB-CD1 4.07Å
724	I	97.4	Very high	91.6	Very high	56 Å²	56	43.3 Å²	43.3	29%	0.287	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	114.7	160.2	-58.3	174.4	0	0	0	105.6	I761 G828 T829	I724-I761 WeakPolarHBondContact CA-O 3.15Å; I724-G828 CarbonylContact O-C 3.59Å; I724-G828 WeakPolarHBondContact O-CA 3.38Å; I724-T829 PolarHBondContact N-O 2.76Å; I724-T829 PolarHBondContact O-N 2.99Å
725	L	97.3	Very high	93.2	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	129.9	-174.6	-58.7	178.7	0	0	0	110.1	A723 T727 F733 S760 I761 V763 V790 L820	A723-L725 HydrophobicContact CB-CD2 4.11Å; A723-L725 HydrophobicContact CB-CG 4.21Å; L725-T727 HydrophobicContact CB-CG2 4Å; L725-T727 PolarHBondContact O-N 3.07Å; L725-F733 HydrophobicContact CD1-CD1 3.8Å; L725-F733 HydrophobicContact CD1-CD2 3.94Å; L725-F733 HydrophobicContact CD1-CE1 3.77Å; L725-F733 HydrophobicContact CD1-CE2 3.9Å; L725-F733 HydrophobicContact CD1-CG 3.9Å; L725-F733 HydrophobicContact CD1-CZ 3.81Å; L725-S760 WeakPolarHBondContact O-CA 3.16Å; L725-S760 WeakPolarHBondContact O-CB 3.38Å; L725-I761 PolarHBondContact N-O 2.8Å; L725-I761 PolarHBondContact O-N 2.82Å; L725-V763 HydrophobicContact CD1-CG2 4.04Å; L725-V790 HydrophobicContact CD1-CG1 4.12Å; L725-V790 HydrophobicContact CD2-CG1 4.32Å; L725-L820 HydrophobicContact CD2-CD1 3.66Å
726	L	94.9	Very high	93.9	Very high	103 Å²	103	43 Å²	43	54%	0.539	21%	0.205	S	C	.	.			trans	-83	58.7	177.8	-57.2	177.2	0	0	0	110.1	T827	L726-T827 WeakPolarHBondContact CB-O 3.33Å; L726-T827 PolarHBondContact N-O 2.91Å
727	T	91.8	Very high	94.1	Very high	30 Å²	30	43 Å²	43	18%	0.184	21%	0.205	C	C	.	.			trans	-137.4	152	-178.8	-168.1	0	0	0	0	111.9	L725 S729 F733 I761 Y799	L725-T727 HydrophobicContact CB-CG2 4Å; L725-T727 PolarHBondContact O-N 3.07Å; T727-S729 PolarHBondContact OG1-N 3.15Å; T727-F733 HydrophobicContact CG2-CZ 4Å; T727-I761 HydrophobicContact CG2-CD1 4.26Å; T727-Y799 HydrophobicContact CG2-CD1 3.86Å; T727-Y799 HydrophobicContact CG2-CE1 3.97Å
728	K	88.5	Confident	94.2	Very high	187 Å²	187	42.9 Å²	42.9	81%	0.813	21%	0.205	S	C	*	.			trans	-98.8	2.6	173.5	-55.7	-174.9	-176.2	-175.4	0	112.6	K730	K728-K730 PolarHBondContact O-N 3.48Å
729	S	85.9	Confident	94.1	Very high	37 Å²	37	44 Å²	44	26%	0.259	21%	0.212	S	C	.	.			trans	-70.8	119.6	179.8	-172.6	0	0	0	0	110.7	T727 T731 I761 Y799	T727-S729 PolarHBondContact OG1-N 3.15Å; S729-T731 PolarHBondContact O-N 3.21Å; S729-T731 WeakPolarHBondContact OG-CG2 3.2Å; S729-I761 WeakPolarHBondContact O-CD1 3.38Å; S729-Y799 PolarHBondContact OG-OH 3.49Å
730	K	84.7	Confident	93.9	Very high	149 Å²	149	46.2 Å²	46.2	65%	0.648	23%	0.232	S	C	*	.			trans	-84.8	16	-179.2	-58.9	-168.4	-176	-113.6	0	113.7	K728 E755	K728-K730 PolarHBondContact O-N 3.48Å; K730-E755 IonicContact NZ-OE1 3.83Å; K730-E755 PolarHBondContact NZ-OE1 3.47Å; K730-E755 IonicContact NZ-OE2 3.91Å; K730-E755 PolarHBondContact NZ-OE2 2.98Å
731	T	93.1	Very high	93.7	Very high	8 Å²	8	42.7 Å²	42.7	5%	0.049	21%	0.213	C	C	.	.			trans	-62.5	159.8	172.9	-168.7	0	0	0	0	112.1	S729 F733 N753 S792 D794	S729-T731 PolarHBondContact O-N 3.21Å; S729-T731 WeakPolarHBondContact OG-CG2 3.2Å; T731-F733 HydrophobicContact CG2-CD1 4.18Å; T731-F733 HydrophobicContact CG2-CE1 3.51Å; T731-F733 HydrophobicContact CG2-CE2 3.96Å; T731-F733 HydrophobicContact CG2-CZ 3.39Å; T731-F733 VanDerWaalsContact O-CE2 3.26Å; T731-F733 WeakPolarHBondContact O-CE2 3.37Å; T731-N753 PolarHBondContact O-ND2 3.28Å; T731-S792 PolarHBondContact OG1-OG 2.93Å; T731-D794 WeakPolarHBondContact CB-OD2 3.31Å; T731-D794 PolarHBondContact OG1-OD2 2.87Å
732	R	95.2	Very high	93.3	Very high	147 Å²	147	43.2 Å²	43.2	56%	0.555	22%	0.215	S	C	*	.			trans	-81	156.7	166.8	-68.3	-171.5	178.3	-174.5	-2.6	110.1	E750 T793	R732-E750 WeakPolarHBondContact CD-OE2 3.48Å; R732-E750 IonicContact CZ-OE2 2.62Å; R732-E750 IonicContact NE-OE2 2.81Å; R732-E750 IonicContact NH1-OE2 2.98Å; R732-E750 PolarHBondContact NH1-OE2 2.89Å; R732-T793 PolarHBondContact O-N 2.87Å; R732-T793 PolarHBondContact O-OG1 3.17Å
733	F	97.1	Very high	92.6	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	154.5	179.4	-56	-87.2	0	0	0	112	L725 T727 T731 E750 G751 I761 V763 F765 V790 K791 Y799	L725-F733 HydrophobicContact CD1-CD1 3.8Å; L725-F733 HydrophobicContact CD1-CD2 3.94Å; L725-F733 HydrophobicContact CD1-CE1 3.77Å; L725-F733 HydrophobicContact CD1-CE2 3.9Å; L725-F733 HydrophobicContact CD1-CG 3.9Å; L725-F733 HydrophobicContact CD1-CZ 3.81Å; T727-F733 HydrophobicContact CG2-CZ 4Å; T731-F733 HydrophobicContact CG2-CD1 4.18Å; T731-F733 HydrophobicContact CG2-CE1 3.51Å; T731-F733 HydrophobicContact CG2-CE2 3.96Å; T731-F733 HydrophobicContact CG2-CZ 3.39Å; T731-F733 VanDerWaalsContact O-CE2 3.26Å; T731-F733 WeakPolarHBondContact O-CE2 3.37Å; F733-E750 CarbonylContact O-C 3.48Å; F733-E750 WeakPolarHBondContact O-CA 3.35Å; F733-G751 PolarHBondContact O-N 3.29Å; F733-I761 HydrophobicContact CE2-CG2 4.47Å; F733-V763 HydrophobicContact CB-CG1 4.33Å; F733-V763 HydrophobicContact CD2-CG2 3.7Å; F733-V763 HydrophobicContact CE2-CG2 4.31Å; F733-V763 HydrophobicContact CG-CG2 4.39Å; F733-F765 HydrophobicContact CB-CE1 3.97Å; F733-F765 HydrophobicContact CB-CZ 4.19Å; F733-V790 HydrophobicContact CB-CG1 4.23Å; F733-K791 CarbonylContact C-O 3.55Å; F733-K791 WeakPolarHBondContact CA-O 3.49Å; F733-K791 WeakPolarHBondContact CB-O 3.22Å; F733-Y799 HydrophobicContact CD1-CG 4.38Å; F733-Y799 AromaticContact CE1-CD1 3.62Å; F733-Y799 HydrophobicContact CE1-CD1 3.62Å; F733-Y799 AromaticContact CE1-CD2 3.99Å; F733-Y799 HydrophobicContact CE1-CD2 3.99Å; F733-Y799 AromaticContact CE1-CE1 3.9Å; F733-Y799 HydrophobicContact CE1-CE1 3.9Å; F733-Y799 HydrophobicContact CE1-CE2 4.3Å; F733-Y799 AromaticContact CE1-CG 3.65Å; F733-Y799 HydrophobicContact CE1-CG 3.65Å; F733-Y799 HydrophobicContact CZ-CD1 4.14Å; F733-Y799 HydrophobicContact CZ-CE1 4.21Å
734	F	96.8	Very high	92	Very high	19 Å²	19	57.7 Å²	57.7	8%	0.083	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	167.8	167.1	64.8	-86.9	0	0	0	110.1	E736 K747 K791 D796	F734-E736 HydrophobicContact CD2-CG 4.23Å; F734-E736 HydrophobicContact CE2-CG 3.66Å; F734-K747 HydrophobicContact CD2-CB 4.43Å; F734-K747 HydrophobicContact CD2-CD 4.04Å; F734-K747 HydrophobicContact CE2-CD 3.68Å; F734-K747 HydrophobicContact CE2-CG 4.45Å; F734-K747 HydrophobicContact CZ-CD 4.47Å; F734-K791 HydrophobicContact CD1-CB 4.41Å; F734-K791 HydrophobicContact CD2-CB 4.43Å; F734-K791 HydrophobicContact CE1-CB 3.83Å; F734-K791 HydrophobicContact CE2-CB 3.84Å; F734-K791 HydrophobicContact CE2-CD 3.86Å; F734-K791 HydrophobicContact CE2-CG 4.39Å; F734-K791 HydrophobicContact CZ-CB 3.51Å; F734-K791 HydrophobicContact CZ-CD 3.67Å; F734-K791 HydrophobicContact CZ-CG 4.25Å; F734-K791 PolarHBondContact N-O 3.04Å; F734-K791 PolarHBondContact O-N 3.11Å; F734-D796 WeakPolarHBondContact CZ-OD1 3.36Å
735	I	97.3	Very high	91.7	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	136.6	175.1	-62.3	177.8	0	0	0	109.8	C721 F737 K747 T748 F765 I788 C789 V790 L830	C721-I735 HydrophobicContact CB-CD1 3.92Å; I735-F737 HydrophobicContact CB-CE2 4.42Å; I735-F737 HydrophobicContact CB-CZ 4.22Å; I735-F737 HydrophobicContact CG2-CD1 4.05Å; I735-F737 HydrophobicContact CG2-CD2 4.32Å; I735-F737 HydrophobicContact CG2-CE1 3.59Å; I735-F737 HydrophobicContact CG2-CE2 3.89Å; I735-F737 HydrophobicContact CG2-CG 4.41Å; I735-F737 HydrophobicContact CG2-CZ 3.51Å; I735-K747 CarbonylContact O-C 3.54Å; I735-K747 VanDerWaalsContact O-CA 3.27Å; I735-K747 WeakPolarHBondContact O-CA 3.41Å; I735-T748 HydrophobicContact CB-CG2 3.81Å; I735-T748 HydrophobicContact CG1-CG2 4.4Å; I735-T748 PolarHBondContact N-OG1 2.81Å; I735-T748 PolarHBondContact O-N 2.75Å; I735-F765 HydrophobicContact CD1-CB 4.14Å; I735-F765 HydrophobicContact CD1-CD1 4.2Å; I735-F765 HydrophobicContact CD1-CD2 3.52Å; I735-F765 HydrophobicContact CD1-CE1 4.48Å; I735-F765 HydrophobicContact CD1-CE2 3.86Å; I735-F765 HydrophobicContact CD1-CG 3.69Å; I735-F765 HydrophobicContact CD1-CZ 4.32Å; I735-F765 HydrophobicContact CG1-CD1 3.84Å; I735-F765 HydrophobicContact CG1-CD2 3.99Å; I735-F765 HydrophobicContact CG1-CE1 3.88Å; I735-F765 HydrophobicContact CG1-CE2 4.03Å; I735-F765 HydrophobicContact CG1-CG 3.88Å; I735-F765 HydrophobicContact CG1-CZ 3.97Å; I735-I788 HydrophobicContact CG2-CG2 3.38Å; I735-C789 CarbonylContact C-O 3.59Å; I735-C789 WeakPolarHBondContact CA-O 3.21Å; I735-V790 HydrophobicContact CG1-CG2 4.33Å; I735-L830 HydrophobicContact CD1-CD1 4.08Å; I735-L830 HydrophobicContact CD1-CD2 4.33Å
736	E	96.2	Very high	91.5	Very high	9 Å²	9	60 Å²	60	4%	0.042	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	135.6	159.7	-55.7	-170.2	157.3	0	0	111.3	F734 H738 V746 K747 I788 C789 K791	F734-E736 HydrophobicContact CD2-CG 4.23Å; F734-E736 HydrophobicContact CE2-CG 3.66Å; E736-H738 WeakPolarHBondContact CB-NE2 3.33Å; E736-H738 IonicContact OE2-CD2 3.57Å; E736-H738 IonicContact OE2-CE1 3.85Å; E736-H738 IonicContact OE2-NE2 3.98Å; E736-H738 PolarHBondContact OE2-NE2 3.12Å; E736-V746 WeakPolarHBondContact CA-O 3.11Å; E736-K747 HydrophobicContact CG-CD 4.4Å; E736-K747 HydrophobicContact CG-CG 4.23Å; E736-K747 WeakPolarHBondContact OE1-CE 3.49Å; E736-K747 IonicContact OE1-NZ 3.06Å; E736-K747 PolarHBondContact OE1-NZ 2.8Å; E736-I788 WeakPolarHBondContact O-CA 3.42Å; E736-C789 HydrophobicContact CB-CB 4.44Å; E736-C789 PolarHBondContact N-O 3.2Å; E736-C789 PolarHBondContact O-N 2.89Å; E736-K791 VanDerWaalsContact CD-CE 3.46Å; E736-K791 HydrophobicContact CG-CD 3.99Å; E736-K791 WeakPolarHBondContact OE1-CE 3.44Å; E736-K791 IonicContact OE1-NZ 2.84Å; E736-K791 PolarHBondContact OE1-NZ 3.49Å; E736-K791 WeakPolarHBondContact OE2-CE 3.31Å; E736-K791 IonicContact OE2-NZ 2.74Å; E736-K791 PolarHBondContact OE2-NZ 3.1Å; E736-K791 VanDerWaalsContact OE2-NZ 3.14Å
737	F	95.9	Very high	91.5	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	127.8	170.2	-56	-74.4	0	0	0	110.1	I718 I735 T745 V746 T748 V769 L771 I786 I788	I718-F737 HydrophobicContact CD1-CD1 3.64Å; I718-F737 HydrophobicContact CD1-CE1 3.5Å; I718-F737 VanDerWaalsContact CD1-CE1 3.5Å; I718-F737 HydrophobicContact CD1-CG 4.41Å; I718-F737 HydrophobicContact CD1-CZ 4.17Å; I718-F737 HydrophobicContact CG2-CE1 4.09Å; I718-F737 HydrophobicContact CG2-CZ 4.07Å; I735-F737 HydrophobicContact CB-CE2 4.42Å; I735-F737 HydrophobicContact CB-CZ 4.22Å; I735-F737 HydrophobicContact CG2-CD1 4.05Å; I735-F737 HydrophobicContact CG2-CD2 4.32Å; I735-F737 HydrophobicContact CG2-CE1 3.59Å; I735-F737 HydrophobicContact CG2-CE2 3.89Å; I735-F737 HydrophobicContact CG2-CG 4.41Å; I735-F737 HydrophobicContact CG2-CZ 3.51Å; F737-T745 WeakPolarHBondContact O-CA 3.41Å; F737-V746 HydrophobicContact CD2-CB 4.44Å; F737-V746 PolarHBondContact N-O 3.42Å; F737-V746 PolarHBondContact O-N 2.84Å; F737-T748 HydrophobicContact CE2-CG2 3.92Å; F737-T748 HydrophobicContact CZ-CG2 4.3Å; F737-V769 HydrophobicContact CD2-CG1 4.29Å; F737-V769 HydrophobicContact CE2-CB 4.2Å; F737-V769 HydrophobicContact CE2-CG1 3.96Å; F737-V769 HydrophobicContact CE2-CG2 4.04Å; F737-L771 HydrophobicContact CB-CD1 4.21Å; F737-L771 HydrophobicContact CB-CD2 4.15Å; F737-L771 HydrophobicContact CD2-CD2 3.94Å; F737-L771 HydrophobicContact CG-CD1 4.36Å; F737-L771 HydrophobicContact CG-CD2 4.15Å; F737-I786 HydrophobicContact CB-CG2 3.9Å; F737-I786 HydrophobicContact CD1-CG2 3.81Å; F737-I786 HydrophobicContact CG-CG2 4.31Å; F737-I788 HydrophobicContact CD1-CG1 4.16Å; F737-I788 HydrophobicContact CD1-CG2 4.37Å; F737-I788 HydrophobicContact CE1-CD1 4.28Å; F737-I788 HydrophobicContact CE1-CG1 4.33Å; F737-I788 HydrophobicContact CE1-CG2 4.17Å
738	H	94.9	Very high	91.7	Very high	10 Å²	10	59.3 Å²	59.3	5%	0.046	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	136	-177	-69.2	-116.8	0	0	0	109.5	L556 F559 E736 T745 L787	L556-H738 HydrophobicContact CD2-CB 4.11Å; F559-H738 HydrophobicContact CE2-CB 3.93Å; F559-H738 AromaticContact CE2-CD2 3.71Å; F559-H738 AromaticContact CE2-CE1 3.97Å; F559-H738 AromaticContact CE2-CG 3.6Å; F559-H738 AromaticContact CE2-ND1 3.78Å; F559-H738 AromaticContact CE2-NE2 3.96Å; F559-H738 HydrophobicContact CZ-CB 4.16Å; F559-H738 AromaticContact CZ-CD2 3.86Å; E736-H738 WeakPolarHBondContact CB-NE2 3.33Å; E736-H738 IonicContact OE2-CD2 3.57Å; E736-H738 IonicContact OE2-CE1 3.85Å; E736-H738 IonicContact OE2-NE2 3.98Å; E736-H738 PolarHBondContact OE2-NE2 3.12Å; H738-T745 VanDerWaalsContact CE1-CG2 3.41Å; H738-T745 WeakPolarHBondContact CE1-CG2 3.4Å; H738-T745 VanDerWaalsContact ND1-CG2 3.32Å; H738-T745 WeakPolarHBondContact ND1-CG2 3.33Å; H738-L787 HydrophobicContact CB-CB 4.11Å; H738-L787 PolarHBondContact N-O 2.81Å; H738-L787 PolarHBondContact O-N 2.81Å
739	S	92.6	Very high	91.9	Very high	23 Å²	23	54.3 Å²	54.3	16%	0.161	28%	0.276	C	S	.	.			trans	-164.8	155.4	173.6	-172.1	0	0	0	0	111.9	C741 L742 H785	S739-C741 PolarHBondContact O-N 2.77Å; S739-C741 PolarHBondContact OG-N 3.16Å; S739-C741 PolarHBondContact OG-SG 2.7Å; S739-C741 VanDerWaalsContact OG-SG 3.37Å; S739-L742 PolarHBondContact O-N 2.93Å; S739-H785 VanDerWaalsContact CB-O 3.29Å; S739-H785 WeakPolarHBondContact CB-O 3.43Å; S739-H785 PolarHBondContact OG-O 3.09Å
740	S	87.4	Confident	92.4	Very high	87 Å²	87	56.4 Å²	56.4	61%	0.608	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-22.7	165.3	42.6	0	0	0	0	113.4	Q784	S740-Q784 PolarHBondContact OG-OE1 2.92Å
741	C	88.5	Confident	92.8	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	5.9	-178.4	80.6	0	0	0	0	114.7	S739 P773 I774 Y780 Q784	S739-C741 PolarHBondContact O-N 2.77Å; S739-C741 PolarHBondContact OG-N 3.16Å; S739-C741 PolarHBondContact OG-SG 2.7Å; S739-C741 VanDerWaalsContact OG-SG 3.37Å; C741-P773 CarbonylContact O-C 3.54Å; C741-P773 WeakPolarHBondContact O-CA 3.17Å; C741-I774 PolarHBondContact O-N 3.1Å; C741-Y780 WeakPolarHBondContact CA-OH 3.49Å; C741-Y780 HydrophobicContact CB-CE1 3.84Å; C741-Y780 WeakPolarHBondContact CB-OH 3.37Å; C741-Q784 HydrophobicContact CB-CB 4.18Å; C741-Q784 HydrophobicContact CB-CG 3.75Å
742	L	89.1	Confident	92.9	Very high	16 Å²	16	54.3 Å²	54.3	8%	0.084	28%	0.279	C	S	.	.			trans	-122.6	138.9	-177.7	-56.3	173.7	0	0	0	110.1	S739 K744 L771 T772 I786	S739-L742 PolarHBondContact O-N 2.93Å; L742-K744 PolarHBondContact O-N 3.32Å; L742-L771 HydrophobicContact CD1-CD1 4.35Å; L742-L771 HydrophobicContact CD2-CB 3.88Å; L742-T772 WeakPolarHBondContact CD2-O 3.48Å; L742-I786 HydrophobicContact CD1-CD1 4.49Å
743	E	81.9	Confident	92.9	Very high	174 Å²	174	50 Å²	50	81%	0.813	27%	0.266	S	S	*	.	S	Bend	trans	-62.5	-33.5	176.1	-58.2	-175.3	146.1	0	0	112.7	I774	E743-I774 HydrophobicContact CB-CG2 4.48Å; E743-I774 HydrophobicContact CG-CG2 3.63Å
744	K	86	Confident	92.8	Very high	156 Å²	156	54.1 Å²	54.1	68%	0.678	29%	0.292	S	S	*	.	S	Bend	trans	-150.4	160	-173.2	64.2	-171.3	176.9	-167.2	0	110.2	L742	L742-K744 PolarHBondContact O-N 3.32Å
745	T	90.9	Very high	92.6	Very high	68 Å²	68	59.2 Å²	59.2	42%	0.417	32%	0.316	S	S	.	.			trans	-66.8	148.4	173.5	56.3	0	0	0	0	110.8	F737 H738	F737-T745 WeakPolarHBondContact O-CA 3.41Å; H738-T745 VanDerWaalsContact CE1-CG2 3.41Å; H738-T745 WeakPolarHBondContact CE1-CG2 3.4Å; H738-T745 VanDerWaalsContact ND1-CG2 3.32Å; H738-T745 WeakPolarHBondContact ND1-CG2 3.33Å
746	V	93.9	Very high	92.2	Very high	38 Å²	38	62.7 Å²	62.7	23%	0.23	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	134.5	177.5	-176.9	0	0	0	0	108.6	E736 F737 V769 L771	E736-V746 WeakPolarHBondContact CA-O 3.11Å; F737-V746 HydrophobicContact CD2-CB 4.44Å; F737-V746 PolarHBondContact N-O 3.42Å; F737-V746 PolarHBondContact O-N 2.84Å; V746-V769 HydrophobicContact CG1-CG1 4.04Å; V746-L771 HydrophobicContact CB-CD2 3.67Å; V746-L771 HydrophobicContact CG1-CD2 3.74Å; V746-L771 HydrophobicContact CG2-CD2 3.86Å
747	K	94.4	Very high	91.9	Very high	98 Å²	98	68.8 Å²	68.8	43%	0.426	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	148.2	178	-55.9	-161	172.9	-148.9	0	111.2	F734 I735 E736 D796	F734-K747 HydrophobicContact CD2-CB 4.43Å; F734-K747 HydrophobicContact CD2-CD 4.04Å; F734-K747 HydrophobicContact CE2-CD 3.68Å; F734-K747 HydrophobicContact CE2-CG 4.45Å; F734-K747 HydrophobicContact CZ-CD 4.47Å; I735-K747 CarbonylContact O-C 3.54Å; I735-K747 VanDerWaalsContact O-CA 3.27Å; I735-K747 WeakPolarHBondContact O-CA 3.41Å; E736-K747 HydrophobicContact CG-CD 4.4Å; E736-K747 HydrophobicContact CG-CG 4.23Å; E736-K747 WeakPolarHBondContact OE1-CE 3.49Å; E736-K747 IonicContact OE1-NZ 3.06Å; E736-K747 PolarHBondContact OE1-NZ 2.8Å; K747-D796 IonicContact NZ-OD1 3.62Å; K747-D796 PolarHBondContact NZ-OD1 3.17Å
748	T	95.8	Very high	91.5	Very high	19 Å²	19	74.4 Å²	74.4	12%	0.117	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-72.2	173.3	161.4	57.5	0	0	0	0	110.6	I735 F737 F765 V769	I735-T748 HydrophobicContact CB-CG2 3.81Å; I735-T748 HydrophobicContact CG1-CG2 4.4Å; I735-T748 PolarHBondContact N-OG1 2.81Å; I735-T748 PolarHBondContact O-N 2.75Å; F737-T748 HydrophobicContact CE2-CG2 3.92Å; F737-T748 HydrophobicContact CZ-CG2 4.3Å; T748-F765 HydrophobicContact CG2-CB 4.1Å; T748-V769 HydrophobicContact CG2-CG2 3.79Å
749	S	92.9	Very high	91.1	Very high	82 Å²	82	75.6 Å²	75.6	57%	0.573	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-62.1	173.6	150.3	60.7	0	0	0	0	110.7
750	E	95	Very high	91.1	Very high	82 Å²	82	74.6 Å²	74.6	38%	0.383	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-55.7	148.1	159.8	-59.3	179.3	162.5	0	0	110.3	R732 F733 T793	R732-E750 WeakPolarHBondContact CD-OE2 3.48Å; R732-E750 IonicContact CZ-OE2 2.62Å; R732-E750 IonicContact NE-OE2 2.81Å; R732-E750 IonicContact NH1-OE2 2.98Å; R732-E750 PolarHBondContact NH1-OE2 2.89Å; F733-E750 CarbonylContact O-C 3.48Å; F733-E750 WeakPolarHBondContact O-CA 3.35Å; E750-T793 VanDerWaalsContact OE1-CG2 3.31Å; E750-T793 WeakPolarHBondContact OE1-CG2 3.29Å
751	G	93.4	Very high	91.5	Very high	6 Å²	6	70.9 Å²	70.9	6%	0.062	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-100.5	154	174.9	0	0	0	0	0	113.2	F733 W764	F733-G751 PolarHBondContact O-N 3.29Å; G751-W764 CarbonylContact C-O 3.57Å; G751-W764 WeakPolarHBondContact CA-O 3.27Å
752	D	96	Very high	91.9	Very high	107 Å²	107	75.1 Å²	75.1	57%	0.572	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.2	118.4	177.5	-69.5	-55.6	0	0	0	110.6	V763 W764	D752-V763 WeakPolarHBondContact O-CA 3.29Å; D752-W764 HydrophobicContact CB-CE3 4.29Å; D752-W764 PolarHBondContact N-O 2.87Å; D752-W764 PolarHBondContact O-N 3.03Å; D752-W764 VanDerWaalsContact OD2-CE3 3.31Å; D752-W764 WeakPolarHBondContact OD2-CZ3 3.45Å
753	N	95.3	Very high	92.3	Very high	56 Å²	56	74.4 Å²	74.4	30%	0.299	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	147	178.8	-73	-0.8	0	0	0	112.2	T731 I761 K762 V763	T731-N753 PolarHBondContact O-ND2 3.28Å; N753-I761 HydrophobicContact CB-CG2 4.19Å; N753-K762 CarbonylContact C-O 3.56Å; N753-K762 WeakPolarHBondContact CA-O 3.33Å; N753-V763 WeakPolarHBondContact OD1-CG2 3.36Å
754	T	94.9	Very high	93	Very high	86 Å²	86	70.6 Å²	70.6	53%	0.528	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	124	167.5	-56.4	0	0	0	0	109.6	K762	T754-K762 PolarHBondContact N-O 2.93Å; T754-K762 PolarHBondContact O-N 3.15Å
755	E	92.1	Very high	93.4	Very high	126 Å²	126	63.4 Å²	63.4	59%	0.589	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.4	133.7	179.3	-162.5	160.9	174.1	0	0	110.2	K730	K730-E755 IonicContact NZ-OE1 3.83Å; K730-E755 PolarHBondContact NZ-OE1 3.47Å; K730-E755 IonicContact NZ-OE2 3.91Å; K730-E755 PolarHBondContact NZ-OE2 2.98Å
756	Q	90.2	Very high	93.1	Very high	73 Å²	73	61 Å²	61	34%	0.341	34%	0.337	S	S	.	.			trans	-98.7	160.2	-176.9	-64.5	-112.7	40.7	0	0	111.5	D758 G759 S760 K762	Q756-D758 WeakPolarHBondContact CB-OD1 3.19Å; Q756-D758 PolarHBondContact O-N 3.47Å; Q756-G759 PolarHBondContact O-N 3.38Å; Q756-S760 WeakPolarHBondContact CB-O 3.45Å; Q756-S760 WeakPolarHBondContact CB-OG 3.38Å; Q756-S760 PolarHBondContact N-O 3.16Å; Q756-K762 HydrophobicContact CG-CB 4.21Å
757	S	88.6	Confident	92.5	Very high	137 Å²	137	64 Å²	64	96%	0.958	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-16.6	-179.6	56.7	0	0	0	0	114.9
758	D	87.4	Confident	92.2	Very high	118 Å²	118	64.5 Å²	64.5	63%	0.631	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-0.4	173	66.9	-8.5	0	0	0	113.5	Q756 S760	Q756-D758 WeakPolarHBondContact CB-OD1 3.19Å; Q756-D758 PolarHBondContact O-N 3.47Å; D758-S760 VanDerWaalsContact C-N 3.34Å; D758-S760 VanDerWaalsContact OD1-CB 3.25Å; D758-S760 WeakPolarHBondContact OD1-CB 3.35Å; D758-S760 PolarHBondContact OD1-N 3.36Å; D758-S760 PolarHBondContact OD1-OG 3.02Å; D758-S760 PolarHBondContact OD2-OG 3.14Å
759	G	86.6	Confident	92	Very high	35 Å²	35	64.7 Å²	64.7	36%	0.361	36%	0.355	S	S	.	.	S	Bend	trans	79	11.3	-175.4	0	0	0	0	0	114.6	Q756	Q756-G759 PolarHBondContact O-N 3.38Å
760	S	93.4	Very high	92	Very high	3 Å²	3	64.3 Å²	64.3	2%	0.021	35%	0.345	C	S	.	.			trans	-80.6	163.3	165.6	70.7	0	0	0	0	111.6	L725 Q756 D758	L725-S760 WeakPolarHBondContact O-CA 3.16Å; L725-S760 WeakPolarHBondContact O-CB 3.38Å; Q756-S760 WeakPolarHBondContact CB-O 3.45Å; Q756-S760 WeakPolarHBondContact CB-OG 3.38Å; Q756-S760 PolarHBondContact N-O 3.16Å; D758-S760 VanDerWaalsContact C-N 3.34Å; D758-S760 VanDerWaalsContact OD1-CB 3.25Å; D758-S760 WeakPolarHBondContact OD1-CB 3.35Å; D758-S760 PolarHBondContact OD1-N 3.36Å; D758-S760 PolarHBondContact OD1-OG 3.02Å; D758-S760 PolarHBondContact OD2-OG 3.14Å
761	I	96.1	Very high	91.9	Very high	9 Å²	9	60.4 Å²	60.4	5%	0.046	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	120.1	176.9	-62.2	175.8	0	0	0	109.2	I724 L725 T727 S729 F733 N753 V763	I724-I761 WeakPolarHBondContact CA-O 3.15Å; L725-I761 PolarHBondContact N-O 2.8Å; L725-I761 PolarHBondContact O-N 2.82Å; T727-I761 HydrophobicContact CG2-CD1 4.26Å; S729-I761 WeakPolarHBondContact O-CD1 3.38Å; F733-I761 HydrophobicContact CE2-CG2 4.47Å; N753-I761 HydrophobicContact CB-CG2 4.19Å; I761-V763 HydrophobicContact CG2-CG2 3.95Å
762	K	96.4	Very high	91.7	Very high	89 Å²	89	64.7 Å²	64.7	39%	0.387	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	135.4	167.8	-172.7	-176.1	-179.6	-173.4	0	108.8	V722 A723 N753 T754 Q756	V722-K762 HydrophobicContact CG1-CD 4.34Å; V722-K762 HydrophobicContact CG1-CG 3.83Å; A723-K762 CarbonylContact O-C 3.59Å; A723-K762 VanDerWaalsContact O-CA 3.32Å; A723-K762 WeakPolarHBondContact O-CA 3.15Å; N753-K762 CarbonylContact C-O 3.56Å; N753-K762 WeakPolarHBondContact CA-O 3.33Å; T754-K762 PolarHBondContact N-O 2.93Å; T754-K762 PolarHBondContact O-N 3.15Å; Q756-K762 HydrophobicContact CG-CB 4.21Å
763	V	97.3	Very high	91.4	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	128.5	177.3	-167.6	0	0	0	0	109.7	V722 A723 L725 F733 D752 N753 I761 F765	V722-V763 CarbonylContact C-O 3.58Å; V722-V763 VanDerWaalsContact CA-O 3.23Å; V722-V763 WeakPolarHBondContact CA-O 3.37Å; A723-V763 PolarHBondContact N-O 2.93Å; A723-V763 PolarHBondContact O-N 3.42Å; L725-V763 HydrophobicContact CD1-CG2 4.04Å; F733-V763 HydrophobicContact CB-CG1 4.33Å; F733-V763 HydrophobicContact CD2-CG2 3.7Å; F733-V763 HydrophobicContact CE2-CG2 4.31Å; F733-V763 HydrophobicContact CG-CG2 4.39Å; D752-V763 WeakPolarHBondContact O-CA 3.29Å; N753-V763 WeakPolarHBondContact OD1-CG2 3.36Å; I761-V763 HydrophobicContact CG2-CG2 3.95Å; V763-F765 HydrophobicContact CB-CE1 4.35Å; V763-F765 HydrophobicContact CB-CE2 3.77Å; V763-F765 HydrophobicContact CB-CZ 3.64Å; V763-F765 HydrophobicContact CG1-CD1 4.15Å; V763-F765 HydrophobicContact CG1-CD2 4.34Å; V763-F765 HydrophobicContact CG1-CE1 3.57Å; V763-F765 HydrophobicContact CG1-CE2 3.79Å; V763-F765 HydrophobicContact CG1-CZ 3.37Å; V763-F765 HydrophobicContact CG2-CZ 4.44Å
764	W	96.7	Very high	90.8	Very high	94 Å²	94	60.8 Å²	60.8	36%	0.356	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	122	174.9	172.7	80	0	0	0	110.8	V722 G751 D752 G766	V722-W764 HydrophobicContact CG2-CB 4.25Å; V722-W764 HydrophobicContact CG2-CG 4.36Å; G751-W764 CarbonylContact C-O 3.57Å; G751-W764 WeakPolarHBondContact CA-O 3.27Å; D752-W764 HydrophobicContact CB-CE3 4.29Å; D752-W764 PolarHBondContact N-O 2.87Å; D752-W764 PolarHBondContact O-N 3.03Å; D752-W764 VanDerWaalsContact OD2-CE3 3.31Å; D752-W764 WeakPolarHBondContact OD2-CZ3 3.45Å; W764-G766 PolarHBondContact O-N 2.98Å
765	F	94	Very high	90.1	Very high	6 Å²	6	57.6 Å²	57.6	3%	0.026	31%	0.309	C	S	.	.			trans	-102.1	36.5	-171.9	-55.4	-89.7	0	0	0	113	C721 A723 F733 I735 T748 V763 V790	C721-F765 HydrophobicContact CB-CB 4.09Å; C721-F765 HydrophobicContact CB-CD2 4.17Å; C721-F765 PolarHBondContact O-N 2.73Å; A723-F765 HydrophobicContact CB-CE2 3.71Å; A723-F765 HydrophobicContact CB-CZ 4.27Å; F733-F765 HydrophobicContact CB-CE1 3.97Å; F733-F765 HydrophobicContact CB-CZ 4.19Å; I735-F765 HydrophobicContact CD1-CB 4.14Å; I735-F765 HydrophobicContact CD1-CD1 4.2Å; I735-F765 HydrophobicContact CD1-CD2 3.52Å; I735-F765 HydrophobicContact CD1-CE1 4.48Å; I735-F765 HydrophobicContact CD1-CE2 3.86Å; I735-F765 HydrophobicContact CD1-CG 3.69Å; I735-F765 HydrophobicContact CD1-CZ 4.32Å; I735-F765 HydrophobicContact CG1-CD1 3.84Å; I735-F765 HydrophobicContact CG1-CD2 3.99Å; I735-F765 HydrophobicContact CG1-CE1 3.88Å; I735-F765 HydrophobicContact CG1-CE2 4.03Å; I735-F765 HydrophobicContact CG1-CG 3.88Å; I735-F765 HydrophobicContact CG1-CZ 3.97Å; T748-F765 HydrophobicContact CG2-CB 4.1Å; V763-F765 HydrophobicContact CB-CE1 4.35Å; V763-F765 HydrophobicContact CB-CE2 3.77Å; V763-F765 HydrophobicContact CB-CZ 3.64Å; V763-F765 HydrophobicContact CG1-CD1 4.15Å; V763-F765 HydrophobicContact CG1-CD2 4.34Å; V763-F765 HydrophobicContact CG1-CE1 3.57Å; V763-F765 HydrophobicContact CG1-CE2 3.79Å; V763-F765 HydrophobicContact CG1-CZ 3.37Å; V763-F765 HydrophobicContact CG2-CZ 4.44Å; F765-V790 HydrophobicContact CE1-CG1 4.48Å; F765-V790 HydrophobicContact CZ-CG1 3.84Å
766	G	84	Confident	89.5	Confident	17 Å²	17	52 Å²	52	18%	0.175	28%	0.284	C	S	.	.			trans	77.2	-179.9	-178.2	0	0	0	0	0	114.9	W764	W764-G766 PolarHBondContact O-N 2.98Å
767	N	81.6	Confident	89	Confident	102 Å²	102	50.3 Å²	50.3	55%	0.545	28%	0.278	S	S	.	.	S	Bend	trans	-83.8	-30.5	-172.8	-70.4	-44.5	0	0	0	114.4	M719 N720	M719-N767 CarbonylContact C-O 3.56Å; M719-N767 WeakPolarHBondContact CA-O 3.29Å; M719-N767 VanDerWaalsContact CB-O 3.25Å; M719-N767 WeakPolarHBondContact CB-O 3.48Å; N720-N767 PolarHBondContact N-O 2.77Å; N720-N767 PolarHBondContact OD1-O 2.69Å
768	K	88.6	Confident	88.5	Confident	107 Å²	107	44.2 Å²	44.2	47%	0.465	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	137.6	-169.6	-176.3	-168.8	170.4	-146.9	0	113.5	Q717 I718 M719 E770	Q717-K768 VanDerWaalsContact CD-CE 3.49Å; I718-K768 CarbonylContact O-C 3.57Å; I718-K768 WeakPolarHBondContact O-CA 3.46Å; M719-K768 HydrophobicContact CG-CB 4.24Å; M719-K768 HydrophobicContact CG-CG 4.09Å; M719-K768 HydrophobicContact SD-CG 4.49Å; K768-E770 WeakPolarHBondContact CE-OE2 3.48Å; K768-E770 IonicContact NZ-OE2 2.66Å; K768-E770 PolarHBondContact NZ-OE2 2.91Å
769	V	92.2	Very high	88.1	Confident	24 Å²	24	40.2 Å²	40.2	15%	0.145	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	146.1	161.9	-175.5	0	0	0	0	108.5	Q717 I718 F737 V746 T748 L771	Q717-V769 WeakPolarHBondContact CA-O 2.97Å; I718-V769 PolarHBondContact N-O 2.8Å; I718-V769 PolarHBondContact O-N 3.35Å; F737-V769 HydrophobicContact CD2-CG1 4.29Å; F737-V769 HydrophobicContact CE2-CB 4.2Å; F737-V769 HydrophobicContact CE2-CG1 3.96Å; F737-V769 HydrophobicContact CE2-CG2 4.04Å; V746-V769 HydrophobicContact CG1-CG1 4.04Å; T748-V769 HydrophobicContact CG2-CG2 3.79Å; V769-L771 HydrophobicContact CG1-CD2 3.78Å
770	E	91.9	Very high	87.9	Confident	74 Å²	74	39.7 Å²	39.7	35%	0.346	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	124	175.6	-171.5	145.5	-147.5	0	0	109	Q717 K768 R837	Q717-E770 HydrophobicContact CG-CG 4.3Å; Q717-E770 PolarHBondContact NE2-OE1 2.89Å; Q717-E770 PolarHBondContact NE2-OE2 2.84Å; K768-E770 WeakPolarHBondContact CE-OE2 3.48Å; K768-E770 IonicContact NZ-OE2 2.66Å; K768-E770 PolarHBondContact NZ-OE2 2.91Å; E770-R837 IonicContact OE1-CZ 2.64Å; E770-R837 IonicContact OE1-NE 2.66Å; E770-R837 IonicContact OE1-NH1 2.71Å; E770-R837 PolarHBondContact OE1-NH1 3.45Å; E770-R837 IonicContact OE2-NH1 3.77Å
771	L	93.1	Very high	87.6	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	125.5	179.6	-39.1	173.9	0	0	0	108.5	I716 I718 F737 L742 V746 V769 P773 I786	I716-L771 HydrophobicContact CB-CB 4.19Å; I716-L771 HydrophobicContact CB-CD1 4.47Å; I716-L771 HydrophobicContact CG2-CD1 4.33Å; I716-L771 PolarHBondContact N-O 3.11Å; I716-L771 PolarHBondContact O-N 2.68Å; I718-L771 HydrophobicContact CD1-CD1 3.78Å; I718-L771 HydrophobicContact CG1-CD1 4.42Å; F737-L771 HydrophobicContact CB-CD1 4.21Å; F737-L771 HydrophobicContact CB-CD2 4.15Å; F737-L771 HydrophobicContact CD2-CD2 3.94Å; F737-L771 HydrophobicContact CG-CD1 4.36Å; F737-L771 HydrophobicContact CG-CD2 4.15Å; L742-L771 HydrophobicContact CD1-CD1 4.35Å; L742-L771 HydrophobicContact CD2-CB 3.88Å; V746-L771 HydrophobicContact CB-CD2 3.67Å; V746-L771 HydrophobicContact CG1-CD2 3.74Å; V746-L771 HydrophobicContact CG2-CD2 3.86Å; V769-L771 HydrophobicContact CG1-CD2 3.78Å; L771-P773 WeakPolarHBondContact O-CD 3.41Å; L771-I786 HydrophobicContact CD1-CD1 4.13Å; L771-I786 HydrophobicContact CD1-CG1 4.26Å; L771-I786 HydrophobicContact CD1-CG2 4.31Å
772	T	90	Very high	87.2	Confident	96 Å²	96	39.8 Å²	39.8	59%	0.589	20%	0.201	S	C	*	.			trans	-89.1	115.8	176.2	-51.5	0	0	0	0	109.6	P712 L742	P712-T772 HydrophobicContact CB-CG2 4.41Å; P712-T772 HydrophobicContact CG-CG2 4.31Å; L742-T772 WeakPolarHBondContact CD2-O 3.48Å
773	P	88.6	Confident	86.7	Confident	2 Å²	2	37.2 Å²	37.2	1%	0.013	19%	0.19	C	C	.	.			trans	-80.3	152	177	33.2	-34.9	0	0	0	112.4	G714 I716 C741 L771 I775 L781	G714-P773 WeakPolarHBondContact O-CD 3.46Å; I716-P773 HydrophobicContact CD1-CB 4.37Å; C741-P773 CarbonylContact O-C 3.54Å; C741-P773 WeakPolarHBondContact O-CA 3.17Å; L771-P773 WeakPolarHBondContact O-CD 3.41Å; P773-I775 PolarHBondContact O-N 3.27Å; P773-L781 HydrophobicContact CB-CD2 3.62Å; P773-L781 HydrophobicContact CG-CD1 4.35Å; P773-L781 HydrophobicContact CG-CD2 3.97Å
774	I	83.1	Confident	86.5	Confident	79 Å²	79	37.9 Å²	37.9	41%	0.405	19%	0.193	S	C	.	.	S	Bend	trans	-65.8	-26.1	176.9	62.7	177.5	0	0	0	113.4	C741 E743 Y780	C741-I774 PolarHBondContact O-N 3.1Å; E743-I774 HydrophobicContact CB-CG2 4.48Å; E743-I774 HydrophobicContact CG-CG2 3.63Å; I774-Y780 HydrophobicContact CG1-CE1 4.45Å
775	I	80.5	Confident	86.4	Confident	19 Å²	19	34.3 Å²	34.3	10%	0.097	18%	0.181	C	C	.	.			trans	-136.5	125.9	179.8	-68	165.2	0	0	0	106.8	F702 P773 D777 Y780 L781	F702-I775 HydrophobicContact CD1-CD1 4.15Å; F702-I775 HydrophobicContact CD1-CG2 4.04Å; F702-I775 HydrophobicContact CE1-CG2 4.06Å; P773-I775 PolarHBondContact O-N 3.27Å; I775-D777 HydrophobicContact CG2-CB 3.8Å; I775-Y780 HydrophobicContact CB-CD1 3.56Å; I775-Y780 HydrophobicContact CB-CE1 3.76Å; I775-Y780 HydrophobicContact CB-CG 4.15Å; I775-Y780 HydrophobicContact CD1-CD2 4.43Å; I775-Y780 HydrophobicContact CD1-CE1 4.41Å; I775-Y780 HydrophobicContact CD1-CE2 4.32Å; I775-Y780 HydrophobicContact CG2-CD1 3.66Å; I775-Y780 HydrophobicContact CG2-CE1 4.36Å; I775-Y780 HydrophobicContact CG2-CG 3.87Å; I775-L781 WeakPolarHBondContact O-CD2 3.46Å
776	S	79.3	Confident	86.5	Confident	9 Å²	9	34 Å²	34	6%	0.063	18%	0.179	C	C	.	.			trans	-88.8	-2.8	-177.6	67.6	0	0	0	0	114.4	Q706	Q706-S776 PolarHBondContact NE2-OG 3.18Å; Q706-S776 PolarHBondContact OE1-OG 2.92Å
777	D	79	Confident	87.1	Confident	37 Å²	37	33.5 Å²	33.5	20%	0.198	17%	0.173	C	C	.	.			trans	-65.8	127.9	-177.1	-166.6	-60.3	0	0	0	111.7	F702 I775 D779 Y780 L781	F702-D777 HydrophobicContact CE1-CB 3.91Å; F702-D777 HydrophobicContact CZ-CB 3.76Å; F702-D777 VanDerWaalsContact CZ-CG 3.42Å; F702-D777 WeakPolarHBondContact CZ-OD2 3.5Å; I775-D777 HydrophobicContact CG2-CB 3.8Å; D777-D779 PolarHBondContact O-N 3.4Å; D777-D779 PolarHBondContact OD1-N 2.89Å; D777-Y780 WeakPolarHBondContact O-CB 3.39Å; D777-Y780 PolarHBondContact O-N 3.34Å; D777-L781 WeakPolarHBondContact O-CG 3.35Å; D777-L781 PolarHBondContact O-N 3.29Å
778	P	79.4	Confident	87.8	Confident	9 Å²	9	28.7 Å²	28.7	6%	0.058	15%	0.147	C	C	.	.	H	α-helix	trans	-64.4	-35	-178.1	-21.8	33.6	0	0	0	114.4	Y780 L781 L782 T838 F841	P778-Y780 PolarHBondContact O-N 3.11Å; P778-L781 PolarHBondContact O-N 3.33Å; P778-L782 HydrophobicContact CB-CD1 4.36Å; P778-L782 VanDerWaalsContact O-CB 3.29Å; P778-L782 WeakPolarHBondContact O-CB 3.48Å; P778-L782 WeakPolarHBondContact O-CD1 3.43Å; P778-L782 WeakPolarHBondContact O-CG 3.39Å; P778-L782 PolarHBondContact O-N 2.8Å; P778-T838 HydrophobicContact CB-CG2 4.42Å; P778-T838 HydrophobicContact CG-CG2 4.11Å; P778-F841 HydrophobicContact CB-CB 4.3Å; P778-F841 HydrophobicContact CB-CD1 3.44Å; P778-F841 VanDerWaalsContact CB-CD1 3.44Å; P778-F841 HydrophobicContact CB-CE1 3.84Å; P778-F841 HydrophobicContact CB-CG 3.95Å; P778-F841 HydrophobicContact CG-CB 4.01Å; P778-F841 HydrophobicContact CG-CD1 3.94Å; P778-F841 HydrophobicContact CG-CD2 4.49Å; P778-F841 HydrophobicContact CG-CE1 4.49Å; P778-F841 HydrophobicContact CG-CG 3.91Å
779	D	78.1	Confident	88.2	Confident	34 Å²	34	23.6 Å²	23.6	18%	0.182	12%	0.124	C	C	.	.	H	α-helix	trans	-67.8	-25.8	178.3	-94.5	-15.7	0	0	0	111.4	F702 D777 F841 T844	F702-D779 HydrophobicContact CE2-CB 4.47Å; D777-D779 PolarHBondContact O-N 3.4Å; D777-D779 PolarHBondContact OD1-N 2.89Å; D779-F841 HydrophobicContact CB-CE1 4.39Å; D779-F841 HydrophobicContact CB-CZ 4.31Å; D779-F841 WeakPolarHBondContact OD1-CE1 3.19Å; D779-T844 PolarHBondContact OD1-N 3Å; D779-T844 WeakPolarHBondContact OD2-CB 3.24Å; D779-T844 PolarHBondContact OD2-OG1 3.14Å
780	Y	83	Confident	88.5	Confident	23 Å²	23	22.4 Å²	22.4	9%	0.09	12%	0.118	C	C	.	.	H	α-helix	trans	-76.3	-53.7	168.7	170.9	-102.9	0	0	0	111.4	F702 C741 I774 I775 D777 P778 L782 E783 Q784	F702-Y780 HydrophobicContact CB-CD2 3.57Å; F702-Y780 HydrophobicContact CB-CE2 4.27Å; F702-Y780 HydrophobicContact CB-CG 4.33Å; F702-Y780 HydrophobicContact CD2-CD2 4.44Å; F702-Y780 AromaticContact CG-CD2 3.96Å; F702-Y780 HydrophobicContact CG-CD2 3.96Å; F702-Y780 HydrophobicContact CG-CG 4.25Å; C741-Y780 WeakPolarHBondContact CA-OH 3.49Å; C741-Y780 HydrophobicContact CB-CE1 3.84Å; C741-Y780 WeakPolarHBondContact CB-OH 3.37Å; I774-Y780 HydrophobicContact CG1-CE1 4.45Å; I775-Y780 HydrophobicContact CB-CD1 3.56Å; I775-Y780 HydrophobicContact CB-CE1 3.76Å; I775-Y780 HydrophobicContact CB-CG 4.15Å; I775-Y780 HydrophobicContact CD1-CD2 4.43Å; I775-Y780 HydrophobicContact CD1-CE1 4.41Å; I775-Y780 HydrophobicContact CD1-CE2 4.32Å; I775-Y780 HydrophobicContact CG2-CD1 3.66Å; I775-Y780 HydrophobicContact CG2-CE1 4.36Å; I775-Y780 HydrophobicContact CG2-CG 3.87Å; D777-Y780 WeakPolarHBondContact O-CB 3.39Å; D777-Y780 PolarHBondContact O-N 3.34Å; P778-Y780 PolarHBondContact O-N 3.11Å; Y780-L782 VanDerWaalsContact C-N 3.35Å; Y780-L782 PolarHBondContact O-N 2.7Å; Y780-E783 PolarHBondContact O-N 2.79Å; Y780-Q784 HydrophobicContact CD1-CG 4.3Å; Y780-Q784 HydrophobicContact CE1-CG 3.93Å; Y780-Q784 HydrophobicContact CE2-CG 4.44Å; Y780-Q784 WeakPolarHBondContact O-CG 3.45Å; Y780-Q784 PolarHBondContact O-NE2 2.87Å; Y780-Q784 VanDerWaalsContact O-NE2 3.15Å; Y780-Q784 PolarHBondContact OH-OE1 2.97Å
781	L	86.5	Confident	88.7	Confident	1 Å²	1	19.3 Å²	19.3	1%	0.005	10%	0.103	C	C	.	.	H	α-helix	trans	-62.2	-37.9	-173	-74.7	176.7	0	0	0	113.1	P773 I775 D777 P778 E783 Q784 L806 T838	P773-L781 HydrophobicContact CB-CD2 3.62Å; P773-L781 HydrophobicContact CG-CD1 4.35Å; P773-L781 HydrophobicContact CG-CD2 3.97Å; I775-L781 WeakPolarHBondContact O-CD2 3.46Å; D777-L781 WeakPolarHBondContact O-CG 3.35Å; D777-L781 PolarHBondContact O-N 3.29Å; P778-L781 PolarHBondContact O-N 3.33Å; L781-E783 PolarHBondContact O-N 2.93Å; L781-Q784 PolarHBondContact O-N 2.89Å; L781-L806 HydrophobicContact CD2-CD1 4.24Å; L781-L806 WeakPolarHBondContact O-CB 3.49Å; L781-L806 WeakPolarHBondContact O-CD1 3.44Å; L781-T838 HydrophobicContact CD1-CG2 4.01Å
782	L	88	Confident	88.8	Confident	13 Å²	13	19.4 Å²	19.4	7%	0.068	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-9.4	-179.1	-65.6	169.4	0	0	0	113.7	P778 Y780 R807 Q810 L836	P778-L782 HydrophobicContact CB-CD1 4.36Å; P778-L782 VanDerWaalsContact O-CB 3.29Å; P778-L782 WeakPolarHBondContact O-CB 3.48Å; P778-L782 WeakPolarHBondContact O-CD1 3.43Å; P778-L782 WeakPolarHBondContact O-CG 3.39Å; P778-L782 PolarHBondContact O-N 2.8Å; Y780-L782 VanDerWaalsContact C-N 3.35Å; Y780-L782 PolarHBondContact O-N 2.7Å; L782-R807 WeakPolarHBondContact O-CB 3.49Å; L782-R807 PolarHBondContact O-NE 2.9Å; L782-Q810 HydrophobicContact CD1-CG 3.85Å; L782-Q810 HydrophobicContact CD2-CB 3.63Å; L782-Q810 HydrophobicContact CD2-CG 3.74Å; L782-Q810 HydrophobicContact CG-CG 4.48Å; L782-L836 HydrophobicContact CD2-CD1 3.72Å
783	E	86.9	Confident	88.9	Confident	35 Å²	35	17.2 Å²	17.2	16%	0.164	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-1.8	171	-56.3	-67.5	-160.1	0	0	113.3	A699 Y780 L781 R807 K846 Y848	A699-E783 HydrophobicContact CB-CB 4.24Å; Y780-E783 PolarHBondContact O-N 2.79Å; L781-E783 PolarHBondContact O-N 2.93Å; E783-R807 IonicContact OE1-NH2 2.6Å; E783-R807 PolarHBondContact OE1-NH2 3.21Å; E783-R807 IonicContact OE2-CZ 2.65Å; E783-R807 IonicContact OE2-NE 2.7Å; E783-R807 IonicContact OE2-NH2 2.64Å; E783-R807 PolarHBondContact OE2-NH2 3.09Å; E783-K846 WeakPolarHBondContact OE1-CE 3.42Å; E783-K846 IonicContact OE1-NZ 2.73Å; E783-Y848 PolarHBondContact OE1-OH 3Å
784	Q	91.4	Very high	89	Confident	14 Å²	14	22.4 Å²	22.4	7%	0.065	12%	0.117	C	C	.	.			trans	-93.1	159	-177.7	-49.8	-57.7	-62.5	0	0	113.2	S740 C741 Y780 L781 L806	S740-Q784 PolarHBondContact OG-OE1 2.92Å; C741-Q784 HydrophobicContact CB-CB 4.18Å; C741-Q784 HydrophobicContact CB-CG 3.75Å; Y780-Q784 HydrophobicContact CD1-CG 4.3Å; Y780-Q784 HydrophobicContact CE1-CG 3.93Å; Y780-Q784 HydrophobicContact CE2-CG 4.44Å; Y780-Q784 WeakPolarHBondContact O-CG 3.45Å; Y780-Q784 PolarHBondContact O-NE2 2.87Å; Y780-Q784 VanDerWaalsContact O-NE2 3.15Å; Y780-Q784 PolarHBondContact OH-OE1 2.97Å; L781-Q784 PolarHBondContact O-N 2.89Å; Q784-L806 HydrophobicContact CB-CD1 3.92Å; Q784-L806 HydrophobicContact CB-CG 4.33Å; Q784-L806 WeakPolarHBondContact O-CB 3.4Å; Q784-L806 WeakPolarHBondContact O-CG 3.32Å; Q784-L806 PolarHBondContact O-N 3.36Å
785	H	95.3	Very high	89.3	Confident	20 Å²	20	21.5 Å²	21.5	9%	0.093	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	144.4	176.6	-58.5	77.8	0	0	0	110.2	Y666 P667 V669 S739 V804 A805	Y666-H785 HydrophobicContact CD2-CB 3.9Å; Y666-H785 AromaticContact CD2-CG 3.56Å; Y666-H785 AromaticContact CD2-ND1 3.57Å; Y666-H785 HydrophobicContact CE2-CB 4.32Å; P667-H785 PolarHBondContact O-NE2 3.07Å; V669-H785 WeakPolarHBondContact CG2-CE1 3.48Å; S739-H785 VanDerWaalsContact CB-O 3.29Å; S739-H785 WeakPolarHBondContact CB-O 3.43Å; S739-H785 PolarHBondContact OG-O 3.09Å; H785-V804 CarbonylContact C-O 3.56Å; H785-V804 VanDerWaalsContact CA-O 3.31Å; H785-V804 WeakPolarHBondContact CA-O 3.28Å; H785-A805 VanDerWaalsContact CD2-CA 3.47Å; H785-A805 WeakPolarHBondContact CD2-CA 3.45Å
786	I	96.2	Very high	89.7	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	117	168.6	-51.4	-56.4	0	0	0	107.8	I716 I718 F737 L742 L771 I788 C803 V804 L806	I716-I786 HydrophobicContact CD1-CD1 4.16Å; I718-I786 HydrophobicContact CD1-CG2 4.3Å; F737-I786 HydrophobicContact CB-CG2 3.9Å; F737-I786 HydrophobicContact CD1-CG2 3.81Å; F737-I786 HydrophobicContact CG-CG2 4.31Å; L742-I786 HydrophobicContact CD1-CD1 4.49Å; L771-I786 HydrophobicContact CD1-CD1 4.13Å; L771-I786 HydrophobicContact CD1-CG1 4.26Å; L771-I786 HydrophobicContact CD1-CG2 4.31Å; I786-I788 HydrophobicContact CG2-CG1 4.31Å; I786-C803 CarbonylContact O-C 3.56Å; I786-C803 WeakPolarHBondContact O-CA 3.46Å; I786-V804 HydrophobicContact CB-CG2 3.88Å; I786-V804 PolarHBondContact N-O 2.68Å; I786-V804 PolarHBondContact O-N 2.85Å; I786-L806 HydrophobicContact CD1-CD2 4.33Å; I786-L806 HydrophobicContact CG1-CD2 3.79Å
787	L	96.9	Very high	90.3	Very high	6 Å²	6	29.2 Å²	29.2	3%	0.031	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	137.4	165.6	-62.5	174.3	0	0	0	108.5	L556 F559 H563 Y666 H738 G802 C803	L556-L787 HydrophobicContact CD1-CD1 3.97Å; L556-L787 HydrophobicContact CD2-CD1 3.96Å; F559-L787 HydrophobicContact CE1-CB 3.77Å; F559-L787 HydrophobicContact CE2-CB 4.3Å; F559-L787 HydrophobicContact CZ-CB 3.63Å; H563-L787 HydrophobicContact CB-CD2 4.33Å; H563-L787 WeakPolarHBondContact O-CD1 3.18Å; H563-L787 WeakPolarHBondContact O-CD2 3.25Å; Y666-L787 HydrophobicContact CE1-CD2 4.14Å; H738-L787 HydrophobicContact CB-CB 4.11Å; H738-L787 PolarHBondContact N-O 2.81Å; H738-L787 PolarHBondContact O-N 2.81Å; L787-G802 WeakPolarHBondContact CA-O 3.34Å; L787-C803 HydrophobicContact CD2-CB 3.9Å
788	I	96.7	Very high	91	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	129.9	-174.5	-49.6	-175.2	0	0	0	108.1	I735 E736 F737 I786 E801 G802 V804 F816 I818 L830	I735-I788 HydrophobicContact CG2-CG2 3.38Å; E736-I788 WeakPolarHBondContact O-CA 3.42Å; F737-I788 HydrophobicContact CD1-CG1 4.16Å; F737-I788 HydrophobicContact CD1-CG2 4.37Å; F737-I788 HydrophobicContact CE1-CD1 4.28Å; F737-I788 HydrophobicContact CE1-CG1 4.33Å; F737-I788 HydrophobicContact CE1-CG2 4.17Å; I786-I788 HydrophobicContact CG2-CG1 4.31Å; I788-E801 CarbonylContact O-C 3.59Å; I788-E801 VanDerWaalsContact O-CA 3.31Å; I788-E801 WeakPolarHBondContact O-CA 3.46Å; I788-G802 PolarHBondContact N-O 3.47Å; I788-G802 PolarHBondContact O-N 2.92Å; I788-V804 HydrophobicContact CD1-CG1 4.04Å; I788-V804 HydrophobicContact CD1-CG2 3.99Å; I788-F816 HydrophobicContact CD1-CE2 4.48Å; I788-F816 HydrophobicContact CD1-CZ 4.4Å; I788-I818 HydrophobicContact CD1-CD1 4.23Å; I788-L830 HydrophobicContact CB-CD2 4.47Å; I788-L830 HydrophobicContact CD1-CD2 3.96Å; I788-L830 HydrophobicContact CG2-CD2 3.71Å
789	C	96.7	Very high	91.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	120.6	176.7	177.4	0	0	0	0	109	F559 I735 E736 S798	F559-C789 HydrophobicContact CE1-CB 4.08Å; F559-C789 HydrophobicContact CZ-CB 3.77Å; I735-C789 CarbonylContact C-O 3.59Å; I735-C789 WeakPolarHBondContact CA-O 3.21Å; E736-C789 HydrophobicContact CB-CB 4.44Å; E736-C789 PolarHBondContact N-O 3.2Å; E736-C789 PolarHBondContact O-N 2.89Å; C789-S798 PolarHBondContact SG-OG 2.88Å; C789-S798 VanDerWaalsContact SG-OG 3.37Å
790	V	97.3	Very high	92.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	118.3	174.4	-173.1	0	0	0	0	108.1	L725 F733 I735 F765 Y799 G800 L820	L725-V790 HydrophobicContact CD1-CG1 4.12Å; L725-V790 HydrophobicContact CD2-CG1 4.32Å; F733-V790 HydrophobicContact CB-CG1 4.23Å; I735-V790 HydrophobicContact CG1-CG2 4.33Å; F765-V790 HydrophobicContact CE1-CG1 4.48Å; F765-V790 HydrophobicContact CZ-CG1 3.84Å; V790-Y799 PolarHBondContact O-N 3.08Å; V790-G800 PolarHBondContact N-O 3.45Å; V790-L820 HydrophobicContact CG2-CD1 3.8Å; V790-L820 HydrophobicContact CG2-CD2 4.17Å
791	K	96.1	Very high	93.3	Very high	9 Å²	9	27.5 Å²	27.5	4%	0.039	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	152.6	-174.8	-76.2	-174.8	166.3	-177.3	0	112.9	F733 F734 E736 D796 E797	F733-K791 CarbonylContact C-O 3.55Å; F733-K791 WeakPolarHBondContact CA-O 3.49Å; F733-K791 WeakPolarHBondContact CB-O 3.22Å; F734-K791 HydrophobicContact CD1-CB 4.41Å; F734-K791 HydrophobicContact CD2-CB 4.43Å; F734-K791 HydrophobicContact CE1-CB 3.83Å; F734-K791 HydrophobicContact CE2-CB 3.84Å; F734-K791 HydrophobicContact CE2-CD 3.86Å; F734-K791 HydrophobicContact CE2-CG 4.39Å; F734-K791 HydrophobicContact CZ-CB 3.51Å; F734-K791 HydrophobicContact CZ-CD 3.67Å; F734-K791 HydrophobicContact CZ-CG 4.25Å; F734-K791 PolarHBondContact N-O 3.04Å; F734-K791 PolarHBondContact O-N 3.11Å; E736-K791 VanDerWaalsContact CD-CE 3.46Å; E736-K791 HydrophobicContact CG-CD 3.99Å; E736-K791 WeakPolarHBondContact OE1-CE 3.44Å; E736-K791 IonicContact OE1-NZ 2.84Å; E736-K791 PolarHBondContact OE1-NZ 3.49Å; E736-K791 WeakPolarHBondContact OE2-CE 3.31Å; E736-K791 IonicContact OE2-NZ 2.74Å; E736-K791 PolarHBondContact OE2-NZ 3.1Å; E736-K791 VanDerWaalsContact OE2-NZ 3.14Å; K791-D796 WeakPolarHBondContact CD-O 3.48Å; K791-D796 WeakPolarHBondContact CD-OD1 3.38Å; K791-D796 WeakPolarHBondContact CE-O 3.4Å; K791-D796 IonicContact NZ-OD1 2.66Å; K791-D796 PolarHBondContact NZ-OD1 2.81Å; K791-D796 IonicContact NZ-OD2 3.58Å; K791-D796 PolarHBondContact NZ-OD2 3.49Å; K791-E797 VanDerWaalsContact CA-O 3.31Å; K791-E797 WeakPolarHBondContact CA-O 3.48Å
792	S	95.1	Very high	93.7	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.007	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	136	165.6	163.6	0	0	0	0	111.4	T731 D794 C795 D796 E797	T731-S792 PolarHBondContact OG1-OG 2.93Å; S792-D794 VanDerWaalsContact C-N 3.34Å; S792-D794 PolarHBondContact OG-N 2.81Å; S792-D794 VanDerWaalsContact OG-N 3.16Å; S792-C795 VanDerWaalsContact CB-SG 3.51Å; S792-C795 PolarHBondContact OG-N 2.88Å; S792-C795 PolarHBondContact OG-SG 2.83Å; S792-D796 WeakPolarHBondContact O-CA 3.44Å; S792-D796 PolarHBondContact O-N 3.32Å; S792-E797 PolarHBondContact N-O 2.77Å
793	T	93.4	Very high	94.1	Very high	50 Å²	50	26.9 Å²	26.9	31%	0.307	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-40	170.2	-63.9	0	0	0	0	111.5	R732 E750 C795	R732-T793 PolarHBondContact O-N 2.87Å; R732-T793 PolarHBondContact O-OG1 3.17Å; E750-T793 VanDerWaalsContact OE1-CG2 3.31Å; E750-T793 WeakPolarHBondContact OE1-CG2 3.29Å; T793-C795 VanDerWaalsContact C-N 3.32Å; T793-C795 PolarHBondContact O-N 2.86Å
794	D	90.8	Very high	94.5	Very high	111 Å²	111	25.2 Å²	25.2	59%	0.594	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-16.4	-167.7	-55.7	-28.2	0	0	0	113.7	T731 S792	T731-D794 WeakPolarHBondContact CB-OD2 3.31Å; T731-D794 PolarHBondContact OG1-OD2 2.87Å; S792-D794 VanDerWaalsContact C-N 3.34Å; S792-D794 PolarHBondContact OG-N 2.81Å; S792-D794 VanDerWaalsContact OG-N 3.16Å
795	C	88.6	Confident	94.7	Very high	60 Å²	60	24.5 Å²	24.5	41%	0.405	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-141.9	-2.8	-176.5	58.9	0	0	0	0	116.3	S792 T793 E797	S792-C795 VanDerWaalsContact CB-SG 3.51Å; S792-C795 PolarHBondContact OG-N 2.88Å; S792-C795 PolarHBondContact OG-SG 2.83Å; T793-C795 VanDerWaalsContact C-N 3.32Å; T793-C795 PolarHBondContact O-N 2.86Å; C795-E797 HydrophobicContact CB-CG 4.1Å; C795-E797 PolarHBondContact O-N 3.37Å; C795-E797 PolarHBondContact SG-OE2 2.82Å
796	D	89.8	Confident	94.5	Very high	76 Å²	76	23.6 Å²	23.6	41%	0.406	13%	0.126	S	C	.	.			trans	57.3	8	-174.1	-163.5	68.4	0	0	0	114.7	F734 K747 K791 S792	F734-D796 WeakPolarHBondContact CZ-OD1 3.36Å; K747-D796 IonicContact NZ-OD1 3.62Å; K747-D796 PolarHBondContact NZ-OD1 3.17Å; K791-D796 WeakPolarHBondContact CD-O 3.48Å; K791-D796 WeakPolarHBondContact CD-OD1 3.38Å; K791-D796 WeakPolarHBondContact CE-O 3.4Å; K791-D796 IonicContact NZ-OD1 2.66Å; K791-D796 PolarHBondContact NZ-OD1 2.81Å; K791-D796 IonicContact NZ-OD2 3.58Å; K791-D796 PolarHBondContact NZ-OD2 3.49Å; S792-D796 WeakPolarHBondContact O-CA 3.44Å; S792-D796 PolarHBondContact O-N 3.32Å
797	E	91.5	Very high	94.2	Very high	115 Å²	115	26.5 Å²	26.5	54%	0.537	14%	0.137	S	C	.	.			trans	-72.7	142.9	175.9	-63.8	178.2	135.3	0	0	111.4	K791 S792 C795	K791-E797 VanDerWaalsContact CA-O 3.31Å; K791-E797 WeakPolarHBondContact CA-O 3.48Å; S792-E797 PolarHBondContact N-O 2.77Å; C795-E797 HydrophobicContact CB-CG 4.1Å; C795-E797 PolarHBondContact O-N 3.37Å; C795-E797 PolarHBondContact SG-OE2 2.82Å
798	S	94.4	Very high	93.7	Very high	15 Å²	15	27 Å²	27	11%	0.105	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	135.7	174.2	-176.5	0	0	0	0	111.4	C789 G800 E801	C789-S798 PolarHBondContact SG-OG 2.88Å; C789-S798 VanDerWaalsContact SG-OG 3.37Å; S798-G800 PolarHBondContact OG-N 3.01Å; S798-G800 VanDerWaalsContact OG-N 3.1Å; S798-E801 VanDerWaalsContact CB-OE1 3.31Å; S798-E801 WeakPolarHBondContact CB-OE1 3.39Å; S798-E801 PolarHBondContact OG-OE1 3.49Å
799	Y	95.6	Very high	93.2	Very high	50 Å²	50	27.1 Å²	27.1	20%	0.196	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	1.9	168.5	-80.7	-117.5	0	0	0	111.3	T727 S729 F733 V790 T827	T727-Y799 HydrophobicContact CG2-CD1 3.86Å; T727-Y799 HydrophobicContact CG2-CE1 3.97Å; S729-Y799 PolarHBondContact OG-OH 3.49Å; F733-Y799 HydrophobicContact CD1-CG 4.38Å; F733-Y799 AromaticContact CE1-CD1 3.62Å; F733-Y799 HydrophobicContact CE1-CD1 3.62Å; F733-Y799 AromaticContact CE1-CD2 3.99Å; F733-Y799 HydrophobicContact CE1-CD2 3.99Å; F733-Y799 AromaticContact CE1-CE1 3.9Å; F733-Y799 HydrophobicContact CE1-CE1 3.9Å; F733-Y799 HydrophobicContact CE1-CE2 4.3Å; F733-Y799 AromaticContact CE1-CG 3.65Å; F733-Y799 HydrophobicContact CE1-CG 3.65Å; F733-Y799 HydrophobicContact CZ-CD1 4.14Å; F733-Y799 HydrophobicContact CZ-CE1 4.21Å; V790-Y799 PolarHBondContact O-N 3.08Å; Y799-T827 WeakPolarHBondContact O-CB 3.44Å; Y799-T827 PolarHBondContact O-OG1 2.91Å
800	G	95.9	Very high	92.5	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.6	127.4	174.9	0	0	0	0	0	114.2	V790 S798 T827	V790-G800 PolarHBondContact N-O 3.45Å; S798-G800 PolarHBondContact OG-N 3.01Å; S798-G800 VanDerWaalsContact OG-N 3.1Å; G800-T827 WeakPolarHBondContact CA-OG1 3.39Å
801	E	96.4	Very high	91.6	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	154.6	172.2	-55.8	93.1	-113.4	0	0	112.1	F559 I788 S798 L820 T821 H822	F559-E801 HydrophobicContact CD1-CB 3.76Å; F559-E801 HydrophobicContact CD1-CG 3.56Å; F559-E801 HydrophobicContact CE1-CB 3.96Å; F559-E801 HydrophobicContact CE1-CG 3.94Å; F559-E801 HydrophobicContact CG-CG 4.37Å; I788-E801 CarbonylContact O-C 3.59Å; I788-E801 VanDerWaalsContact O-CA 3.31Å; I788-E801 WeakPolarHBondContact O-CA 3.46Å; S798-E801 VanDerWaalsContact CB-OE1 3.31Å; S798-E801 WeakPolarHBondContact CB-OE1 3.39Å; S798-E801 PolarHBondContact OG-OE1 3.49Å; E801-L820 WeakPolarHBondContact O-CA 3.41Å; E801-T821 PolarHBondContact N-O 2.8Å; E801-T821 PolarHBondContact O-N 3.22Å; E801-H822 IonicContact OE1-CE1 3.88Å; E801-H822 IonicContact OE1-CG 3.12Å; E801-H822 IonicContact OE1-ND1 2.66Å; E801-H822 PolarHBondContact OE1-ND1 3.14Å; E801-H822 IonicContact OE2-ND1 3.51Å
802	G	95.5	Very high	91	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163	-178.2	173	0	0	0	0	0	112.6	L787 I788	L787-G802 WeakPolarHBondContact CA-O 3.34Å; I788-G802 PolarHBondContact N-O 3.47Å; I788-G802 PolarHBondContact O-N 2.92Å
803	C	95.9	Very high	90.7	Very high	1 Å²	1	42 Å²	42	1%	0.007	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	141.6	-174.6	-177	0	0	0	0	111.6	I786 L787 W895	I786-C803 CarbonylContact O-C 3.56Å; I786-C803 WeakPolarHBondContact O-CA 3.46Å; L787-C803 HydrophobicContact CD2-CB 3.9Å; C803-W895 HydrophobicContact CB-CH2 3.9Å; C803-W895 HydrophobicContact CB-CZ3 4.24Å; C803-W895 VanDerWaalsContact O-CE3 3.27Å; C803-W895 WeakPolarHBondContact O-CZ3 3.46Å
804	V	95.4	Very high	90.6	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	131.4	171.5	-64.3	0	0	0	0	111.5	H785 I786 I788 F816 I818 I834	H785-V804 CarbonylContact C-O 3.56Å; H785-V804 VanDerWaalsContact CA-O 3.31Å; H785-V804 WeakPolarHBondContact CA-O 3.28Å; I786-V804 HydrophobicContact CB-CG2 3.88Å; I786-V804 PolarHBondContact N-O 2.68Å; I786-V804 PolarHBondContact O-N 2.85Å; I788-V804 HydrophobicContact CD1-CG1 4.04Å; I788-V804 HydrophobicContact CD1-CG2 3.99Å; V804-F816 HydrophobicContact CG1-CB 4.44Å; V804-F816 HydrophobicContact CG1-CD1 4.21Å; V804-F816 HydrophobicContact CG1-CD2 3.88Å; V804-F816 HydrophobicContact CG1-CE1 4.44Å; V804-F816 HydrophobicContact CG1-CE2 4.13Å; V804-F816 HydrophobicContact CG1-CG 3.93Å; V804-F816 HydrophobicContact CG1-CZ 4.4Å; V804-I818 HydrophobicContact CG1-CD1 4.42Å; V804-I818 HydrophobicContact CG1-CG2 3.87Å; V804-I834 HydrophobicContact CG2-CD1 4.13Å
805	A	94.7	Very high	90.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	130.4	174.9	0	0	0	0	0	111.6	P667 L668 H785 R807 A808	P667-A805 HydrophobicContact CB-CB 4.34Å; P667-A805 HydrophobicContact CG-CB 4.14Å; P667-A805 WeakPolarHBondContact O-CB 3.37Å; L668-A805 HydrophobicContact CB-CB 4.13Å; L668-A805 HydrophobicContact CD1-CB 4.06Å; L668-A805 HydrophobicContact CG-CB 4.22Å; H785-A805 VanDerWaalsContact CD2-CA 3.47Å; H785-A805 WeakPolarHBondContact CD2-CA 3.45Å; A805-R807 PolarHBondContact O-N 3.47Å; A805-A808 PolarHBondContact O-N 3.43Å
806	L	92.5	Very high	91	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-65.5	-30.7	174.8	-64.6	-164.6	0	0	0	112	I716 L781 Q784 I786 A808 A809 I834 L836	I716-L806 HydrophobicContact CD1-CD1 3.5Å; I716-L806 HydrophobicContact CD1-CD2 4.24Å; I716-L806 HydrophobicContact CG1-CD1 4.02Å; I716-L806 HydrophobicContact CG1-CD2 4.48Å; I716-L806 HydrophobicContact CG2-CD2 3.84Å; L781-L806 HydrophobicContact CD2-CD1 4.24Å; L781-L806 WeakPolarHBondContact O-CB 3.49Å; L781-L806 WeakPolarHBondContact O-CD1 3.44Å; Q784-L806 HydrophobicContact CB-CD1 3.92Å; Q784-L806 HydrophobicContact CB-CG 4.33Å; Q784-L806 WeakPolarHBondContact O-CB 3.4Å; Q784-L806 WeakPolarHBondContact O-CG 3.32Å; Q784-L806 PolarHBondContact O-N 3.36Å; I786-L806 HydrophobicContact CD1-CD2 4.33Å; I786-L806 HydrophobicContact CG1-CD2 3.79Å; L806-A808 PolarHBondContact O-N 3.21Å; L806-A809 PolarHBondContact O-N 3.38Å; L806-I834 HydrophobicContact CD2-CD1 3.48Å; L806-I834 VanDerWaalsContact CD2-CD1 3.48Å; L806-L836 HydrophobicContact CB-CD1 4.44Å; L806-L836 HydrophobicContact CB-CD2 4.23Å; L806-L836 HydrophobicContact CD1-CD2 4.15Å; L806-L836 HydrophobicContact CD2-CD2 4.2Å; L806-L836 HydrophobicContact CG-CD2 4.43Å
807	R	89.7	Confident	91.3	Very high	62 Å²	62	37.7 Å²	37.7	23%	0.234	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-48	-31.8	175.3	-167	168.7	-82.6	-115.7	8.8	114.3	L668 L782 E783 A805 A809 Q810 Y848	L668-R807 HydrophobicContact CD1-CB 4.3Å; L782-R807 WeakPolarHBondContact O-CB 3.49Å; L782-R807 PolarHBondContact O-NE 2.9Å; E783-R807 IonicContact OE1-NH2 2.6Å; E783-R807 PolarHBondContact OE1-NH2 3.21Å; E783-R807 IonicContact OE2-CZ 2.65Å; E783-R807 IonicContact OE2-NE 2.7Å; E783-R807 IonicContact OE2-NH2 2.64Å; E783-R807 PolarHBondContact OE2-NH2 3.09Å; A805-R807 PolarHBondContact O-N 3.47Å; R807-A809 VanDerWaalsContact C-N 3.28Å; R807-A809 PolarHBondContact O-N 3.45Å; R807-Q810 WeakPolarHBondContact O-CB 3.49Å; R807-Q810 PolarHBondContact O-N 3.2Å; R807-Y848 PolarHBondContact NH2-OH 3.05Å
808	A	86.8	Confident	91.5	Very high	17 Å²	17	32.4 Å²	32.4	14%	0.14	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-60.4	-38.1	179.2	0	0	0	0	0	112.7	L668 A805 L806 Q810 R814 Y897	L668-A808 HydrophobicContact CD1-CB 3.94Å; A805-A808 PolarHBondContact O-N 3.43Å; L806-A808 PolarHBondContact O-N 3.21Å; A808-Q810 PolarHBondContact O-N 2.81Å; A808-R814 WeakPolarHBondContact O-CG 3.41Å; A808-Y897 HydrophobicContact CB-CD1 3.79Å; A808-Y897 HydrophobicContact CB-CE1 3.32Å; A808-Y897 HydrophobicContact CB-CE2 4.3Å; A808-Y897 HydrophobicContact CB-CG 4.45Å
809	A	85.6	Confident	91.5	Very high	2 Å²	2	32.9 Å²	32.9	2%	0.017	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-95.7	24.3	-176.8	0	0	0	0	0	114	L806 R807 F811 C812 I834 L836	L806-A809 PolarHBondContact O-N 3.38Å; R807-A809 VanDerWaalsContact C-N 3.28Å; R807-A809 PolarHBondContact O-N 3.45Å; A809-F811 VanDerWaalsContact C-N 3.26Å; A809-F811 PolarHBondContact O-N 2.74Å; A809-C812 CarbonylContact C-O 3.6Å; A809-C812 VanDerWaalsContact CA-O 3.29Å; A809-C812 WeakPolarHBondContact CA-O 3.26Å; A809-C812 WeakPolarHBondContact CB-O 3.28Å; A809-I834 HydrophobicContact CB-CG2 4.02Å; A809-I834 WeakPolarHBondContact CB-O 3.43Å; A809-L836 HydrophobicContact CB-CG 4.26Å
810	Q	81.8	Confident	91.6	Very high	44 Å²	44	30.5 Å²	30.5	21%	0.206	14%	0.142	C	C	.	.	S	Bend	trans	-52.9	-37.8	-178.4	-178.9	172.7	18.6	0	0	114.7	L782 R807 A808	L782-Q810 HydrophobicContact CD1-CG 3.85Å; L782-Q810 HydrophobicContact CD2-CB 3.63Å; L782-Q810 HydrophobicContact CD2-CG 3.74Å; L782-Q810 HydrophobicContact CG-CG 4.48Å; R807-Q810 WeakPolarHBondContact O-CB 3.49Å; R807-Q810 PolarHBondContact O-N 3.2Å; A808-Q810 PolarHBondContact O-N 2.81Å
811	F	78.3	Confident	91.6	Very high	157 Å²	157	30.7 Å²	30.7	69%	0.689	14%	0.143	S	C	*	.	S	Bend	trans	-115.7	-18.3	-172.1	-56.3	-70.3	0	0	0	113.9	A809	A809-F811 VanDerWaalsContact C-N 3.26Å; A809-F811 PolarHBondContact O-N 2.74Å
812	C	82.6	Confident	91.5	Very high	51 Å²	51	33.1 Å²	33.1	35%	0.345	16%	0.155	S	C	.	.	S	Bend	trans	-167.4	170.6	-174	64.9	0	0	0	0	110.9	A809	A809-C812 CarbonylContact C-O 3.6Å; A809-C812 VanDerWaalsContact CA-O 3.29Å; A809-C812 WeakPolarHBondContact CA-O 3.26Å; A809-C812 WeakPolarHBondContact CB-O 3.28Å
813	Y	88.8	Confident	91.2	Very high	70 Å²	70	35.7 Å²	35.7	28%	0.275	17%	0.167	S	C	.	.			trans	-50.5	139.7	162.4	172.5	-101.9	0	0	0	111.8	M719 E815 I834 Q835	M719-Y813 HydrophobicContact CB-CE2 4.49Å; M719-Y813 HydrophobicContact CE-CD2 3.45Å; M719-Y813 VanDerWaalsContact CE-CD2 3.45Å; M719-Y813 HydrophobicContact CE-CE2 3.47Å; M719-Y813 VanDerWaalsContact CE-CE2 3.47Å; M719-Y813 HydrophobicContact CE-CG 4.45Å; Y813-E815 HydrophobicContact CE1-CG 3.95Å; Y813-I834 WeakPolarHBondContact CA-O 3.19Å; Y813-Q835 HydrophobicContact CD2-CB 4.27Å
814	R	91.3	Very high	90.6	Very high	71 Å²	71	36 Å²	36	27%	0.268	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	136.2	168.8	-68.8	-58.1	-176.6	-169.6	-3.5	111.1	A808 G833 I834 Y897 M899	A808-R814 WeakPolarHBondContact O-CG 3.41Å; R814-G833 CarbonylContact O-C 3.56Å; R814-G833 WeakPolarHBondContact O-CA 3.14Å; R814-I834 PolarHBondContact N-O 3.13Å; R814-I834 PolarHBondContact O-N 3.47Å; R814-Y897 HydrophobicContact CB-CD1 4.4Å; R814-M899 PolarHBondContact NH1-SD 3.45Å
815	E	93.9	Very high	90.4	Very high	41 Å²	41	42.1 Å²	42.1	19%	0.192	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	143.4	159.9	-62.4	171	154.9	0	0	109.1	Y813 G832 Y897 S898 T900	Y813-E815 HydrophobicContact CE1-CG 3.95Å; E815-G832 CarbonylContact C-O 3.54Å; E815-G832 WeakPolarHBondContact CA-O 3.23Å; E815-Y897 WeakPolarHBondContact O-CA 3.47Å; E815-Y897 WeakPolarHBondContact O-CD1 3.36Å; E815-S898 VanDerWaalsContact CB-OG 3.24Å; E815-S898 WeakPolarHBondContact CB-OG 3.37Å; E815-S898 VanDerWaalsContact OE2-C 3.28Å; E815-S898 VanDerWaalsContact OE2-CB 3.31Å; E815-S898 WeakPolarHBondContact OE2-CB 3.4Å; E815-S898 PolarHBondContact OE2-OG 3.34Å; E815-T900 WeakPolarHBondContact OE1-CG2 3.13Å; E815-T900 PolarHBondContact OE1-OG1 3.47Å; E815-T900 PolarHBondContact OE2-N 3.17Å
816	F	94.3	Very high	90.4	Very high	4 Å²	4	47.4 Å²	47.4	2%	0.018	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	145.5	169.5	64.5	-104.5	0	0	0	110.2	I718 I788 V804 I818 L830 T831 G832 I834 Y897	I718-F816 HydrophobicContact CG2-CE1 4.35Å; I718-F816 HydrophobicContact CG2-CZ 4.28Å; I788-F816 HydrophobicContact CD1-CE2 4.48Å; I788-F816 HydrophobicContact CD1-CZ 4.4Å; V804-F816 HydrophobicContact CG1-CB 4.44Å; V804-F816 HydrophobicContact CG1-CD1 4.21Å; V804-F816 HydrophobicContact CG1-CD2 3.88Å; V804-F816 HydrophobicContact CG1-CE1 4.44Å; V804-F816 HydrophobicContact CG1-CE2 4.13Å; V804-F816 HydrophobicContact CG1-CG 3.93Å; V804-F816 HydrophobicContact CG1-CZ 4.4Å; F816-I818 HydrophobicContact CD2-CG2 4.05Å; F816-L830 HydrophobicContact CE2-CD2 4.26Å; F816-L830 HydrophobicContact CE2-CG 4.25Å; F816-T831 CarbonylContact O-C 3.54Å; F816-T831 WeakPolarHBondContact O-CA 3.42Å; F816-G832 PolarHBondContact N-O 3.48Å; F816-G832 PolarHBondContact O-N 3.35Å; F816-I834 HydrophobicContact CD1-CB 4.14Å; F816-I834 HydrophobicContact CD1-CG2 4.01Å; F816-I834 HydrophobicContact CE1-CB 4.14Å; F816-Y897 HydrophobicContact CB-CD1 3.95Å; F816-Y897 HydrophobicContact CB-CE1 3.84Å
817	Q	95.8	Very high	90.6	Very high	91 Å²	91	48.9 Å²	48.9	43%	0.425	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	126.8	165.3	169.9	175.4	-21.8	0	0	108.1	L830 T831 S896	Q817-L830 WeakPolarHBondContact CA-O 3.42Å; Q817-T831 HydrophobicContact CB-CG2 3.97Å; Q817-T831 HydrophobicContact CG-CG2 3.91Å; Q817-S896 WeakPolarHBondContact CB-OG 3.19Å; Q817-S896 PolarHBondContact N-O 3.05Å; Q817-S896 PolarHBondContact O-N 3.2Å; Q817-S896 PolarHBondContact O-OG 3.48Å
818	I	95.6	Very high	90.9	Very high	3 Å²	3	46 Å²	46	2%	0.015	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	148.9	-176.7	73.5	178.4	0	0	0	110.5	I788 V804 F816 L820 T829 L830 W895	I788-I818 HydrophobicContact CD1-CD1 4.23Å; V804-I818 HydrophobicContact CG1-CD1 4.42Å; V804-I818 HydrophobicContact CG1-CG2 3.87Å; F816-I818 HydrophobicContact CD2-CG2 4.05Å; I818-L820 HydrophobicContact CD1-CD2 4.46Å; I818-T829 CarbonylContact O-C 3.6Å; I818-T829 VanDerWaalsContact O-CA 3.23Å; I818-T829 WeakPolarHBondContact O-CA 3.47Å; I818-T829 WeakPolarHBondContact O-CB 3.33Å; I818-L830 HydrophobicContact CD1-CB 4.19Å; I818-L830 HydrophobicContact CD1-CD2 4.11Å; I818-L830 HydrophobicContact CG1-CB 3.8Å; I818-L830 PolarHBondContact N-O 2.83Å; I818-L830 PolarHBondContact O-N 2.89Å; I818-W895 HydrophobicContact CB-CE3 3.73Å; I818-W895 HydrophobicContact CB-CZ3 3.7Å; I818-W895 HydrophobicContact CG2-CE3 3.54Å; I818-W895 HydrophobicContact CG2-CZ3 3.84Å
819	T	96.1	Very high	91.4	Very high	25 Å²	25	46.4 Å²	46.4	15%	0.153	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	134.9	167.8	-56.6	0	0	0	0	109	H618 T821 K826	H618-T819 WeakPolarHBondContact NE2-CB 3.44Å; H618-T819 WeakPolarHBondContact NE2-CG2 3.1Å; T819-T821 HydrophobicContact CG2-CG2 4.15Å; T819-K826 HydrophobicContact CG2-CB 4.48Å; T819-K826 HydrophobicContact CG2-CD 3.83Å; T819-K826 HydrophobicContact CG2-CG 3.75Å
820	L	97.4	Very high	92	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	135.7	169.3	-67	175.8	0	0	0	109.3	A723 L725 V790 E801 I818 T827 G828 L830	A723-L820 HydrophobicContact CB-CD1 4.31Å; L725-L820 HydrophobicContact CD2-CD1 3.66Å; V790-L820 HydrophobicContact CG2-CD1 3.8Å; V790-L820 HydrophobicContact CG2-CD2 4.17Å; E801-L820 WeakPolarHBondContact O-CA 3.41Å; I818-L820 HydrophobicContact CD1-CD2 4.46Å; L820-T827 PolarHBondContact O-N 3.31Å; L820-T827 PolarHBondContact O-OG1 3.46Å; L820-G828 PolarHBondContact N-O 2.97Å; L820-G828 PolarHBondContact O-N 3.33Å; L820-G828 VanDerWaalsContact O-N 3.15Å; L820-L830 HydrophobicContact CD1-CB 4.05Å; L820-L830 HydrophobicContact CD2-CB 3.91Å; L820-L830 HydrophobicContact CG-CB 3.98Å
821	T	95.6	Very high	92.7	Very high	4 Å²	4	46.3 Å²	46.3	3%	0.025	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	149.1	179.5	60	0	0	0	0	111.3	H563 L617 E801 T819 E825	H563-T821 PolarHBondContact CE1-OG1 3.44Å; L617-T821 HydrophobicContact CD2-CG2 3.65Å; E801-T821 PolarHBondContact N-O 2.8Å; E801-T821 PolarHBondContact O-N 3.22Å; T819-T821 HydrophobicContact CG2-CG2 4.15Å; T821-E825 CarbonylContact C-O 3.5Å; T821-E825 WeakPolarHBondContact CA-O 3.42Å; T821-E825 VanDerWaalsContact CB-O 3.24Å; T821-E825 WeakPolarHBondContact CB-O 3.38Å
822	H	93.3	Very high	93.6	Very high	53 Å²	53	39.2 Å²	39.2	25%	0.245	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	133.7	171.7	-174	62.6	0	0	0	109.5	E801 G824 E825 T827	E801-H822 IonicContact OE1-CE1 3.88Å; E801-H822 IonicContact OE1-CG 3.12Å; E801-H822 IonicContact OE1-ND1 2.66Å; E801-H822 PolarHBondContact OE1-ND1 3.14Å; E801-H822 IonicContact OE2-ND1 3.51Å; H822-G824 PolarHBondContact O-N 2.9Å; H822-G824 VanDerWaalsContact O-N 3.08Å; H822-E825 PolarHBondContact N-O 2.86Å; H822-E825 PolarHBondContact O-N 3.31Å; H822-T827 HydrophobicContact CB-CG2 3.59Å
823	Q	88.8	Confident	94.1	Very high	53 Å²	53	36.8 Å²	36.8	25%	0.248	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	32.1	-176.2	-63.4	173.7	56.4	0	0	113.3	L546 D560 E825	L546-Q823 WeakPolarHBondContact CD2-O 3.23Å; D560-Q823 WeakPolarHBondContact OD2-CA 3.31Å; D560-Q823 PolarHBondContact OD2-N 3.16Å; Q823-E825 VanDerWaalsContact C-N 3.35Å; Q823-E825 PolarHBondContact O-N 2.93Å
824	G	84.7	Confident	94.4	Very high	7 Å²	7	33.5 Å²	33.5	7%	0.072	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.2	-5.1	-178.1	0	0	0	0	0	117.2	L546 D560 H822	L546-G824 VanDerWaalsContact CD2-CA 3.41Å; D560-G824 PolarHBondContact OD2-N 3.15Å; H822-G824 PolarHBondContact O-N 2.9Å; H822-G824 VanDerWaalsContact O-N 3.08Å
825	E	91.4	Very high	94.4	Very high	129 Å²	129	33.4 Å²	33.4	60%	0.603	17%	0.168	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-93.8	150.4	174.6	-62.9	-170.8	167.2	0	0	110.9	T821 H822 Q823 T827	T821-E825 CarbonylContact C-O 3.5Å; T821-E825 WeakPolarHBondContact CA-O 3.42Å; T821-E825 VanDerWaalsContact CB-O 3.24Å; T821-E825 WeakPolarHBondContact CB-O 3.38Å; H822-E825 PolarHBondContact N-O 2.86Å; H822-E825 PolarHBondContact O-N 3.31Å; Q823-E825 VanDerWaalsContact C-N 3.35Å; Q823-E825 PolarHBondContact O-N 2.93Å; E825-T827 PolarHBondContact O-N 2.76Å
826	K	94.8	Very high	94.1	Very high	111 Å²	111	32.2 Å²	32.2	48%	0.483	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	117.3	175.4	178	178.1	174.1	-177.5	0	110.5	L617 T819 G828	L617-K826 HydrophobicContact CD2-CB 3.97Å; T819-K826 HydrophobicContact CG2-CB 4.48Å; T819-K826 HydrophobicContact CG2-CD 3.83Å; T819-K826 HydrophobicContact CG2-CG 3.75Å; K826-G828 WeakPolarHBondContact CE-O 3.47Å
827	T	96.1	Very high	93.4	Very high	32 Å²	32	38.1 Å²	38.1	20%	0.196	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	-9.2	176.5	57.1	0	0	0	0	114	L726 Y799 G800 L820 H822 E825	L726-T827 WeakPolarHBondContact CB-O 3.33Å; L726-T827 PolarHBondContact N-O 2.91Å; Y799-T827 WeakPolarHBondContact O-CB 3.44Å; Y799-T827 PolarHBondContact O-OG1 2.91Å; G800-T827 WeakPolarHBondContact CA-OG1 3.39Å; L820-T827 PolarHBondContact O-N 3.31Å; L820-T827 PolarHBondContact O-OG1 3.46Å; H822-T827 HydrophobicContact CB-CG2 3.59Å; E825-T827 PolarHBondContact O-N 2.76Å
828	G	96.4	Very high	92	Very high	2 Å²	2	36 Å²	36	2%	0.021	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170	-155	177.9	0	0	0	0	0	115.6	I724 L820 K826	I724-G828 CarbonylContact O-C 3.59Å; I724-G828 WeakPolarHBondContact O-CA 3.38Å; L820-G828 PolarHBondContact N-O 2.97Å; L820-G828 PolarHBondContact O-N 3.33Å; L820-G828 VanDerWaalsContact O-N 3.15Å; K826-G828 WeakPolarHBondContact CE-O 3.47Å
829	T	97.5	Very high	90.2	Very high	24 Å²	24	40 Å²	40	15%	0.147	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	140.6	168.9	52	0	0	0	0	110	A723 I724 I818	A723-T829 CarbonylContact C-O 3.56Å; A723-T829 WeakPolarHBondContact CA-O 3.41Å; I724-T829 PolarHBondContact N-O 2.76Å; I724-T829 PolarHBondContact O-N 2.99Å; I818-T829 CarbonylContact O-C 3.6Å; I818-T829 VanDerWaalsContact O-CA 3.23Å; I818-T829 WeakPolarHBondContact O-CA 3.47Å; I818-T829 WeakPolarHBondContact O-CB 3.33Å
830	L	97.7	Very high	88.3	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	132.4	168.9	174.9	70.4	0	0	0	109	C721 A723 I735 I788 F816 Q817 I818 L820	C721-L830 HydrophobicContact CB-CD1 4.31Å; A723-L830 HydrophobicContact CB-CD1 4.07Å; I735-L830 HydrophobicContact CD1-CD1 4.08Å; I735-L830 HydrophobicContact CD1-CD2 4.33Å; I788-L830 HydrophobicContact CB-CD2 4.47Å; I788-L830 HydrophobicContact CD1-CD2 3.96Å; I788-L830 HydrophobicContact CG2-CD2 3.71Å; F816-L830 HydrophobicContact CE2-CD2 4.26Å; F816-L830 HydrophobicContact CE2-CG 4.25Å; Q817-L830 WeakPolarHBondContact CA-O 3.42Å; I818-L830 HydrophobicContact CD1-CB 4.19Å; I818-L830 HydrophobicContact CD1-CD2 4.11Å; I818-L830 HydrophobicContact CG1-CB 3.8Å; I818-L830 PolarHBondContact N-O 2.83Å; I818-L830 PolarHBondContact O-N 2.89Å; L820-L830 HydrophobicContact CD1-CB 4.05Å; L820-L830 HydrophobicContact CD2-CB 3.91Å; L820-L830 HydrophobicContact CG-CB 3.98Å
831	T	97.3	Very high	86.4	Confident	45 Å²	45	52.6 Å²	52.6	28%	0.276	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	155.3	170.5	58.8	0	0	0	0	109.4	C721 V722 F816 Q817	C721-T831 CarbonylContact C-O 3.59Å; C721-T831 WeakPolarHBondContact CA-O 3.41Å; V722-T831 PolarHBondContact N-O 3.43Å; V722-T831 PolarHBondContact O-N 2.95Å; V722-T831 PolarHBondContact O-OG1 2.86Å; F816-T831 CarbonylContact O-C 3.54Å; F816-T831 WeakPolarHBondContact O-CA 3.42Å; Q817-T831 HydrophobicContact CB-CG2 3.97Å; Q817-T831 HydrophobicContact CG-CG2 3.91Å
832	G	95.7	Very high	84.7	Confident	8 Å²	8	61.1 Å²	61.1	8%	0.082	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.9	-158.7	176.6	0	0	0	0	0	110	M719 E815 F816	M719-G832 CarbonylContact O-C 3.51Å; M719-G832 WeakPolarHBondContact O-CA 3.37Å; E815-G832 CarbonylContact C-O 3.54Å; E815-G832 WeakPolarHBondContact CA-O 3.23Å; F816-G832 PolarHBondContact N-O 3.48Å; F816-G832 PolarHBondContact O-N 3.35Å
833	G	94.1	Very high	83.1	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	163.5	165.9	0	0	0	0	0	113	I718 M719 R814	I718-G833 CarbonylContact C-O 3.53Å; I718-G833 WeakPolarHBondContact CA-O 3.43Å; M719-G833 PolarHBondContact N-O 3.1Å; M719-G833 PolarHBondContact O-N 2.97Å; R814-G833 CarbonylContact O-C 3.56Å; R814-G833 WeakPolarHBondContact O-CA 3.14Å
834	I	93.8	Very high	82	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	140.4	-172.4	-169.6	166.7	0	0	0	110.7	I716 Q717 I718 V804 L806 A809 Y813 R814 F816	I716-I834 HydrophobicContact CG2-CD1 3.94Å; I716-I834 HydrophobicContact CG2-CG1 4.09Å; Q717-I834 CarbonylContact O-C 3.51Å; Q717-I834 VanDerWaalsContact O-CA 3.29Å; Q717-I834 WeakPolarHBondContact O-CA 3.46Å; I718-I834 HydrophobicContact CD1-CD1 4.5Å; I718-I834 HydrophobicContact CG1-CD1 4.15Å; I718-I834 HydrophobicContact CG1-CG1 4.16Å; V804-I834 HydrophobicContact CG2-CD1 4.13Å; L806-I834 HydrophobicContact CD2-CD1 3.48Å; L806-I834 VanDerWaalsContact CD2-CD1 3.48Å; A809-I834 HydrophobicContact CB-CG2 4.02Å; A809-I834 WeakPolarHBondContact CB-O 3.43Å; Y813-I834 WeakPolarHBondContact CA-O 3.19Å; R814-I834 PolarHBondContact N-O 3.13Å; R814-I834 PolarHBondContact O-N 3.47Å; F816-I834 HydrophobicContact CD1-CB 4.14Å; F816-I834 HydrophobicContact CD1-CG2 4.01Å; F816-I834 HydrophobicContact CE1-CB 4.14Å
835	Q	91.3	Very high	81.1	Confident	69 Å²	69	67.6 Å²	67.6	32%	0.322	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	133.2	177	-179.8	171.6	2.4	0	0	109.7	Q717 Y813	Q717-Q835 PolarHBondContact N-O 3.47Å; Q717-Q835 PolarHBondContact O-N 3.13Å; Y813-Q835 HydrophobicContact CD2-CB 4.27Å
836	L	88.4	Confident	80.3	Confident	16 Å²	16	62.6 Å²	62.6	8%	0.084	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	136.9	169	-60.4	-179.9	0	0	0	110.1	I716 L782 L806 A809 T838	I716-L836 HydrophobicContact CB-CD2 4.5Å; I716-L836 HydrophobicContact CG1-CD2 3.98Å; I716-L836 HydrophobicContact CG2-CD2 4.3Å; L782-L836 HydrophobicContact CD2-CD1 3.72Å; L806-L836 HydrophobicContact CB-CD1 4.44Å; L806-L836 HydrophobicContact CB-CD2 4.23Å; L806-L836 HydrophobicContact CD1-CD2 4.15Å; L806-L836 HydrophobicContact CD2-CD2 4.2Å; L806-L836 HydrophobicContact CG-CD2 4.43Å; A809-L836 HydrophobicContact CB-CG 4.26Å; L836-T838 HydrophobicContact CB-CG2 4.38Å
837	R	79.3	Confident	79	Confident	128 Å²	128	58.1 Å²	58.1	48%	0.483	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	106.6	159.1	-69.8	174.5	157.4	-172.7	-14	107	G714 G715 Q717 E770	G714-R837 CarbonylContact C-O 3.57Å; G714-R837 WeakPolarHBondContact CA-O 3.41Å; G715-R837 PolarHBondContact N-O 3.36Å; G715-R837 WeakPolarHBondContact O-CB 3.49Å; G715-R837 PolarHBondContact O-N 3.02Å; Q717-R837 VanDerWaalsContact NE2-NE 3.13Å; Q717-R837 VanDerWaalsContact NE2-NH1 3.15Å; E770-R837 IonicContact OE1-CZ 2.64Å; E770-R837 IonicContact OE1-NE 2.66Å; E770-R837 IonicContact OE1-NH1 2.71Å; E770-R837 PolarHBondContact OE1-NH1 3.45Å; E770-R837 IonicContact OE2-NH1 3.77Å
838	T	67.1	Low	77.7	Confident	48 Å²	48	58 Å²	58	29%	0.294	29%	0.291	S	S	.	.			trans	-137.6	164.1	173.9	53	0	0	0	0	109.1	P778 L781 L836	P778-T838 HydrophobicContact CB-CG2 4.42Å; P778-T838 HydrophobicContact CG-CG2 4.11Å; L781-T838 HydrophobicContact CD1-CG2 4.01Å; L836-T838 HydrophobicContact CB-CG2 4.38Å
839	S	57.3	Low	76.6	Confident	85 Å²	85	60.3 Å²	60.3	59%	0.594	30%	0.304	S	S	*	.			trans	-62.8	161	164.6	44.3	0	0	0	0	111.7	F841	S839-F841 PolarHBondContact O-N 3.48Å
840	E	56.1	Low	75.6	Confident	206 Å²	206	59.3 Å²	59.3	96%	0.963	30%	0.297	S	S	*	.	S	Bend	trans	-62.8	128.7	170	-67.4	-166.3	160.2	0	0	110.2
841	F	58.8	Low	74.7	Confident	85 Å²	85	60.8 Å²	60.8	37%	0.373	31%	0.305	S	S	.	.			trans	-148.8	151	-168.1	-176.8	-115.8	0	0	0	112.6	P778 D779 S839	P778-F841 HydrophobicContact CB-CB 4.3Å; P778-F841 HydrophobicContact CB-CD1 3.44Å; P778-F841 VanDerWaalsContact CB-CD1 3.44Å; P778-F841 HydrophobicContact CB-CE1 3.84Å; P778-F841 HydrophobicContact CB-CG 3.95Å; P778-F841 HydrophobicContact CG-CB 4.01Å; P778-F841 HydrophobicContact CG-CD1 3.94Å; P778-F841 HydrophobicContact CG-CD2 4.49Å; P778-F841 HydrophobicContact CG-CE1 4.49Å; P778-F841 HydrophobicContact CG-CG 3.91Å; D779-F841 HydrophobicContact CB-CE1 4.39Å; D779-F841 HydrophobicContact CB-CZ 4.31Å; D779-F841 WeakPolarHBondContact OD1-CE1 3.19Å; S839-F841 PolarHBondContact O-N 3.48Å
842	K	58.2	Low	73.9	Confident	183 Å²	183	62.7 Å²	62.7	80%	0.796	31%	0.309	S	S	*	.			trans	-109.2	119.5	167.6	-72	-179.7	177.8	176.7	0	108
843	P	60.8	Low	72.9	Confident	64 Å²	64	67.1 Å²	67.1	42%	0.416	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-59.5	143.2	-178.9	27.5	-36.8	0	0	0	112	E845	P843-E845 PolarHBondContact O-N 2.75Å
844	T	65.3	Low	72	Confident	67 Å²	67	70.3 Å²	70.3	41%	0.411	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-66.2	129.3	171	-69.5	0	0	0	0	109.9	D779 K846	D779-T844 PolarHBondContact OD1-N 3Å; D779-T844 WeakPolarHBondContact OD2-CB 3.24Å; D779-T844 PolarHBondContact OD2-OG1 3.14Å; T844-K846 PolarHBondContact O-N 3.04Å
845	E	66	Low	69.7	Low	118 Å²	118	80.2 Å²	80.2	55%	0.551	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-63.9	122.4	178.8	-171.2	172.3	-143.2	0	0	110.9	K384 P843 D849	K384-E845 PolarHBondContact NZ-O 2.75Å; K384-E845 VanDerWaalsContact NZ-O 3.11Å; P843-E845 PolarHBondContact O-N 2.75Å; E845-D849 HydrophobicContact CG-CB 4.24Å
846	K	74.3	Confident	67.1	Low	23 Å²	23	81.7 Å²	81.7	10%	0.1	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-90.6	148.7	-178.9	-63.8	-60	-153.1	176.1	0	110	D388 E783 T844 Y848 D849	D388-K846 HydrophobicContact CB-CD 4.19Å; D388-K846 VanDerWaalsContact OD1-CD 3.24Å; D388-K846 WeakPolarHBondContact OD1-CD 3.42Å; D388-K846 WeakPolarHBondContact OD1-CE 3.48Å; D388-K846 IonicContact OD1-NZ 3.17Å; D388-K846 PolarHBondContact OD1-NZ 3.31Å; E783-K846 WeakPolarHBondContact OE1-CE 3.42Å; E783-K846 IonicContact OE1-NZ 2.73Å; T844-K846 PolarHBondContact O-N 3.04Å; K846-Y848 HydrophobicContact CB-CD1 4.08Å; K846-Y848 HydrophobicContact CB-CD2 3.98Å; K846-Y848 HydrophobicContact CB-CE1 3.72Å; K846-Y848 HydrophobicContact CB-CE2 3.6Å; K846-Y848 HydrophobicContact CB-CG 4.22Å; K846-Y848 VanDerWaalsContact CB-CZ 3.47Å; K846-Y848 HydrophobicContact CG-CE1 4.15Å; K846-Y848 HydrophobicContact CG-CE2 4.12Å; K846-Y848 PolarHBondContact O-N 3.1Å; K846-Y848 VanDerWaalsContact O-N 3.16Å; K846-D849 PolarHBondContact N-OD2 3.26Å; K846-D849 VanDerWaalsContact O-CB 3.32Å; K846-D849 WeakPolarHBondContact O-CB 3.36Å; K846-D849 PolarHBondContact O-N 3.4Å
847	L	67.4	Low	64.4	Low	18 Å²	18	88.1 Å²	88.1	9%	0.094	43%	0.427	C	S	.	.	G	3₁₀ helix	trans	-65.6	-24.5	-173.9	-167.4	67.7	0	0	0	113.2	Q375 K378 N379 D849 F850	Q375-L847 PolarHBondContact NE2-O 3.35Å; K378-L847 HydrophobicContact CB-CD1 3.74Å; N379-L847 HydrophobicContact CB-CD2 4.17Å; N379-L847 VanDerWaalsContact CG-CD2 3.5Å; N379-L847 WeakPolarHBondContact OD1-CD2 3.32Å; L847-D849 VanDerWaalsContact C-N 3.3Å; L847-D849 PolarHBondContact O-N 3.2Å; L847-F850 WeakPolarHBondContact O-CB 3.17Å; L847-F850 PolarHBondContact O-N 3.43Å
848	Y	69.5	Low	62.1	Low	28 Å²	28	86.9 Å²	86.9	11%	0.11	44%	0.444	C	S	.	.	G	3₁₀ helix	trans	-69.3	-23.9	172.5	49.4	-107.7	0	0	0	113.4	H670 E783 R807 K846 F850 I851	H670-Y848 HydrophobicContact CB-CD1 3.94Å; H670-Y848 HydrophobicContact CB-CD2 4.13Å; H670-Y848 HydrophobicContact CB-CE1 4.26Å; H670-Y848 HydrophobicContact CB-CE2 4.43Å; H670-Y848 HydrophobicContact CB-CG 3.86Å; H670-Y848 VanDerWaalsContact CD2-CB 3.47Å; H670-Y848 WeakPolarHBondContact CD2-CB 3.45Å; H670-Y848 AromaticContact CG-CG 3.77Å; E783-Y848 PolarHBondContact OE1-OH 3Å; R807-Y848 PolarHBondContact NH2-OH 3.05Å; K846-Y848 HydrophobicContact CB-CD1 4.08Å; K846-Y848 HydrophobicContact CB-CD2 3.98Å; K846-Y848 HydrophobicContact CB-CE1 3.72Å; K846-Y848 HydrophobicContact CB-CE2 3.6Å; K846-Y848 HydrophobicContact CB-CG 4.22Å; K846-Y848 VanDerWaalsContact CB-CZ 3.47Å; K846-Y848 HydrophobicContact CG-CE1 4.15Å; K846-Y848 HydrophobicContact CG-CE2 4.12Å; K846-Y848 PolarHBondContact O-N 3.1Å; K846-Y848 VanDerWaalsContact O-N 3.16Å; Y848-F850 PolarHBondContact O-N 2.96Å; Y848-I851 PolarHBondContact O-N 3.32Å
849	D	73.3	Confident	60.2	Low	52 Å²	52	89 Å²	89	28%	0.278	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	-67.1	-14.3	172.3	-68.1	-58.5	0	0	0	113.1	E845 K846 L847 I851 K852	E845-D849 HydrophobicContact CG-CB 4.24Å; K846-D849 PolarHBondContact N-OD2 3.26Å; K846-D849 VanDerWaalsContact O-CB 3.32Å; K846-D849 WeakPolarHBondContact O-CB 3.36Å; K846-D849 PolarHBondContact O-N 3.4Å; L847-D849 VanDerWaalsContact C-N 3.3Å; L847-D849 PolarHBondContact O-N 3.2Å; D849-I851 VanDerWaalsContact C-N 3.27Å; D849-I851 PolarHBondContact O-N 3.32Å; D849-K852 WeakPolarHBondContact O-CE 3.43Å; D849-K852 WeakPolarHBondContact O-CG 3.47Å
850	F	76.6	Confident	59	Low	3 Å²	3	90.8 Å²	90.8	1%	0.013	48%	0.476	C	S	.	.	G	3₁₀ helix	trans	-62.8	-32.5	178.1	179.1	-127.4	0	0	0	112.9	I330 L331 L333 L374 K378 L847 Y848	I330-F850 HydrophobicContact CB-CE2 4.46Å; I330-F850 HydrophobicContact CB-CZ 4.42Å; I330-F850 HydrophobicContact CG2-CE2 3.9Å; I330-F850 HydrophobicContact CG2-CZ 3.74Å; I330-F850 VanDerWaalsContact O-CE2 3.3Å; I330-F850 WeakPolarHBondContact O-CE2 3.24Å; L331-F850 VanDerWaalsContact O-CD2 3.3Å; L331-F850 WeakPolarHBondContact O-CD2 3.47Å; L333-F850 HydrophobicContact CD1-CD1 4.38Å; L333-F850 HydrophobicContact CD1-CE1 3.66Å; L333-F850 HydrophobicContact CD1-CZ 3.96Å; L333-F850 HydrophobicContact CD2-CZ 4.08Å; L333-F850 HydrophobicContact CG-CD1 4.4Å; L333-F850 HydrophobicContact CG-CE1 3.74Å; L333-F850 HydrophobicContact CG-CE2 4.13Å; L333-F850 HydrophobicContact CG-CZ 3.58Å; L333-F850 PolarHBondContact N-O 2.82Å; L374-F850 HydrophobicContact CB-CE1 4.24Å; K378-F850 HydrophobicContact CD-CD1 3.81Å; K378-F850 HydrophobicContact CD-CD2 3.77Å; K378-F850 HydrophobicContact CD-CE1 3.54Å; K378-F850 HydrophobicContact CD-CE2 3.5Å; K378-F850 VanDerWaalsContact CD-CE2 3.5Å; K378-F850 HydrophobicContact CD-CG 3.93Å; K378-F850 HydrophobicContact CD-CZ 3.36Å; K378-F850 HydrophobicContact CG-CE1 4.34Å; K378-F850 HydrophobicContact CG-CZ 4.39Å; L847-F850 WeakPolarHBondContact O-CB 3.17Å; L847-F850 PolarHBondContact O-N 3.43Å; Y848-F850 PolarHBondContact O-N 2.96Å
851	I	77.7	Confident	57.6	Low	31 Å²	31	86.6 Å²	86.6	16%	0.159	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	104.9	-179.4	-58.1	-174.9	0	0	0	109.1	L333 K335 C371 Y848 D849	L333-I851 HydrophobicContact CB-CG1 4.37Å; L333-I851 HydrophobicContact CD1-CD1 4.47Å; L333-I851 HydrophobicContact CD1-CG1 4.26Å; L333-I851 WeakPolarHBondContact O-CA 3.44Å; K335-I851 HydrophobicContact CD-CG2 3.75Å; K335-I851 VanDerWaalsContact CE-CG2 3.47Å; K335-I851 HydrophobicContact CG-CG2 4.19Å; C371-I851 HydrophobicContact CB-CD1 4.04Å; Y848-I851 PolarHBondContact O-N 3.32Å; D849-I851 VanDerWaalsContact C-N 3.27Å; D849-I851 PolarHBondContact O-N 3.32Å
852	K	80.6	Confident	56.3	Low	84 Å²	84	92.4 Å²	92.4	37%	0.365	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	157.7	176	-55.9	-160.4	-179.3	-171.8	0	111	Q332 L333 V334 K335 D849	Q332-K852 HydrophobicContact CG-CG 4.27Å; L333-K852 PolarHBondContact O-N 3.48Å; V334-K852 CarbonylContact C-O 3.59Å; V334-K852 WeakPolarHBondContact CA-O 3.29Å; K335-K852 PolarHBondContact N-O 3.38Å; D849-K852 WeakPolarHBondContact O-CE 3.43Å; D849-K852 WeakPolarHBondContact O-CG 3.47Å
853	I	74.9	Confident	54.8	Low	102 Å²	102	87.2 Å²	87.2	52%	0.523	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	129.5	172.7	-61.6	176.6	0	0	0	107.5	K335 Q337 R855	K335-I853 HydrophobicContact CB-CG1 4.49Å; K335-I853 WeakPolarHBondContact O-CA 3.49Å; Q337-I853 HydrophobicContact CG-CG2 3.39Å; I853-R855 PolarHBondContact O-N 3.21Å
854	E	75.3	Confident	53.4	Low	66 Å²	66	93.8 Å²	93.8	31%	0.308	52%	0.515	S	S	.	.			trans	-62.1	123.9	176.1	-168.6	168.4	-125.8	0	0	109.4	V334 K335 S336 Q337	V334-E854 HydrophobicContact CG1-CB 3.96Å; K335-E854 WeakPolarHBondContact O-CB 3.47Å; K335-E854 PolarHBondContact O-N 3.02Å; S336-E854 WeakPolarHBondContact CA-OE2 3.2Å; S336-E854 WeakPolarHBondContact CB-OE2 3.26Å; S336-E854 PolarHBondContact OG-OE2 3.44Å; Q337-E854 VanDerWaalsContact CG-O 3.23Å; Q337-E854 WeakPolarHBondContact CG-O 3.34Å; Q337-E854 PolarHBondContact OE1-O 3.49Å
855	R	45.2	Very low	51.6	Low	208 Å²	208	98.6 Å²	98.6	79%	0.785	54%	0.538	S	S	*	.			trans	-100.1	150.2	175.1	-80.5	-168.8	-89	-169.1	-7.4	110.5	I853 D857	I853-R855 PolarHBondContact O-N 3.21Å; R855-D857 PolarHBondContact O-N 2.84Å; R855-D857 VanDerWaalsContact O-N 3.09Å
856	D	37.9	Very low	49.9	Very low	100 Å²	100	102.6 Å²	102.6	54%	0.535	55%	0.553	S	S	.	*			trans	-85.9	81	-165.8	-129.5	37.7	0	0	0	112.5	K338	K338-D856 WeakPolarHBondContact CE-OD1 3.4Å; K338-D856 WeakPolarHBondContact CE-OD2 3.31Å; K338-D856 IonicContact NZ-OD1 2.66Å; K338-D856 PolarHBondContact NZ-OD1 3.16Å; K338-D856 IonicContact NZ-OD2 2.61Å; K338-D856 PolarHBondContact NZ-OD2 2.88Å
857	D	32	Very low	47.5	Very low	152 Å²	152	106.8 Å²	106.8	81%	0.813	59%	0.585	S	S	*	*			trans	-82	132.2	166.4	-77.6	-44	0	0	0	110.8	R855 A859	R855-D857 PolarHBondContact O-N 2.84Å; R855-D857 VanDerWaalsContact O-N 3.09Å; D857-A859 PolarHBondContact O-N 3.03Å
858	A	30.5	Very low	45.5	Very low	102 Å²	102	112.5 Å²	112.5	84%	0.843	62%	0.621	S	S	*	*			trans	-70.4	114.4	175	0	0	0	0	0	110.3
859	A	27	Very low	43.3	Very low	93 Å²	93	117.5 Å²	117.5	77%	0.769	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-60.4	133.7	-173.6	0	0	0	0	0	112.6	D857 S861	D857-A859 PolarHBondContact O-N 3.03Å; A859-S861 PolarHBondContact O-N 3.44Å
860	P	31.7	Very low	41	Very low	122 Å²	122	121.4 Å²	121.4	79%	0.792	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-67.4	129.7	-179.6	26.7	-34.3	0	0	0	111.2	K862	P860-K862 PolarHBondContact O-N 3.05Å
861	S	27.8	Very low	39.3	Very low	117 Å²	117	126.8 Å²	126.8	82%	0.818	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-61.3	124.6	177.4	54.1	0	0	0	0	111.3	A859 G863	A859-S861 PolarHBondContact O-N 3.44Å; S861-G863 PolarHBondContact O-N 3.22Å
862	K	30.9	Very low	36.7	Very low	208 Å²	208	130.1 Å²	130.1	90%	0.904	75%	0.747	S	S	*	*			trans	-68.7	89	-179.9	-70.7	-178.2	177.8	176.7	0	112.3	P860	P860-K862 PolarHBondContact O-N 3.05Å
863	G	26.4	Very low	34	Very low	73 Å²	73	134.7 Å²	134.7	75%	0.753	77%	0.769	S	S	*	*			trans	-60.9	135.6	154.9	0	0	0	0	0	109.7	S861	S861-G863 PolarHBondContact O-N 3.22Å
864	K	30.4	Very low	31.5	Very low	203 Å²	203	136.2 Å²	136.2	88%	0.883	78%	0.779	S	S	*	*			trans	-84.9	132.7	170.2	-65.4	174.1	-178.2	169.1	0	108.3
865	D	27.3	Very low	29.2	Very low	167 Å²	167	140.1 Å²	140.1	89%	0.893	80%	0.8	S	S	*	*			trans	-153.4	165	137.4	-116.7	-38.1	0	0	0	112.1
866	K	30.4	Very low	28.1	Very low	202 Å²	202	135.6 Å²	135.6	88%	0.878	80%	0.8	S	S	*	*			trans	-121.1	124.4	-173.4	-66.7	178.6	179.4	178.1	0	112.2
867	S	24.3	Very low	27.9	Very low	111 Å²	111	138.1 Å²	138.1	78%	0.776	81%	0.814	S	S	*	*			trans	-154.3	124	150.5	54.8	0	0	0	0	113.4
868	V	25.7	Very low	27.6	Very low	138 Å²	138	135.9 Å²	135.9	84%	0.836	81%	0.808	S	S	*	*			trans	44.7	139.5	144.6	-169.7	0	0	0	0	120.9
869	V	23.9	Very low	27.4	Very low	133 Å²	133	137.7 Å²	137.7	81%	0.806	80%	0.803	S	S	*	*			trans	-121.7	130.5	174.9	174.2	0	0	0	0	110.2
870	T	23.8	Very low	27.3	Very low	134 Å²	134	143.5 Å²	143.5	82%	0.822	81%	0.807	S	S	*	*			trans	-166.2	158.6	142.4	18.8	0	0	0	0	110.9
871	P	42.1	Very low	27.1	Very low	116 Å²	116	146 Å²	146	75%	0.753	81%	0.81	S	S	*	*			trans	-111.3	168.4	-160.9	41.4	-35	0	0	0	116.1
872	A	21.7	Very low	27	Very low	101 Å²	101	142.5 Å²	142.5	84%	0.835	79%	0.792	S	S	*	*			trans	-143	164.6	159.6	0	0	0	0	0	110.2
873	H	24.8	Very low	26.6	Very low	180 Å²	180	141.9 Å²	141.9	83%	0.833	79%	0.79	S	S	*	*			trans	-106.3	165.8	-172.4	-91.1	-108.5	0	0	0	114.2
874	D	21.6	Very low	26.3	Very low	134 Å²	134	143.2 Å²	143.2	72%	0.717	79%	0.788	S	S	*	*			trans	83.8	121.9	152.6	-86.7	8.1	0	0	0	123.7
875	I	27.7	Very low	26.1	Very low	149 Å²	149	143.9 Å²	143.9	76%	0.764	79%	0.791	S	S	*	*			trans	34	95.9	137.8	-47.3	172.2	0	0	0	117.6
876	S	23.2	Very low	25.8	Very low	112 Å²	112	145.5 Å²	145.5	78%	0.783	79%	0.79	S	S	*	*				177.7	159	113.5	45.4	0	0	0	0	110.9
877	N	32.2	Very low	25.6	Very low	153 Å²	153	141 Å²	141	82%	0.818	78%	0.784	S	S	*	*			trans	-106.2	123.2	179.5	170.9	71.4	0	0	0	111.6
878	P	26.6	Very low	25.5	Very low	105 Å²	105	138.9 Å²	138.9	68%	0.682	78%	0.78	S	S	*	*			trans	-129.4	124.3	152.5	34.3	-20.4	0	0	0	113.8
879	N	26	Very low	25.6	Very low	141 Å²	141	139.5 Å²	139.5	75%	0.754	78%	0.778	S	S	*	*			trans	46.9	108.2	142.4	-64.8	-5.9	0	0	0	122.3
880	Y	25.7	Very low	25.6	Very low	215 Å²	215	139.8 Å²	139.8	84%	0.843	78%	0.78	S	S	*	*				59.8	100.6	102.7	-155.6	-81.5	0	0	0	119.7
881	M	26.5	Very low	25.6	Very low	175 Å²	175	138 Å²	138	86%	0.862	77%	0.773	S	S	*	*			trans	-141.3	148.1	141.8	-78.9	-76.8	-171.6	0	0	105.8
882	G	25.2	Very low	25	Very low	43 Å²	43	139 Å²	139	44%	0.443	77%	0.772	S	S	.	*			cis	137.3	129.6	2.7	0	0	0	0	0	109.8
883	F	22.2	Very low	25.7	Very low	195 Å²	195	143.6 Å²	143.6	86%	0.855	77%	0.768	S	S	*	*			trans	68.9	143.4	176.8	-49.9	-75.7	0	0	0	116
884	S	21.9	Very low	26.5	Very low	101 Å²	101	135.6 Å²	135.6	71%	0.706	73%	0.734	S	S	*	*			cis	-154.6	138.7	-9.5	-101.6	0	0	0	0	110.3
885	F	24.8	Very low	27.7	Very low	217 Å²	217	131.2 Å²	131.2	95%	0.952	71%	0.707	S	S	*	*			trans	-73.1	130.1	169	-89.7	-100.7	0	0	0	110.9
886	K	21.9	Very low	28.7	Very low	200 Å²	200	126.7 Å²	126.7	87%	0.87	69%	0.689	S	S	*	*			trans	-125	140.6	156.9	-80.3	-170.3	173.4	-176.6	0	108.6
887	S	26.8	Very low	30	Very low	108 Å²	108	124.6 Å²	124.6	76%	0.755	67%	0.665	S	S	*	*			trans	-71.3	135.8	-171.8	-170.6	0	0	0	0	112.7	N889	S887-N889 PolarHBondContact OG-OD1 2.97Å
888	G	21.7	Very low	30.4	Very low	67 Å²	67	119.9 Å²	119.9	69%	0.691	64%	0.643	S	S	*	*			trans	-117.4	124.6	151.4	0	0	0	0	0	107.8	V890	G888-V890 PolarHBondContact O-N 2.94Å
889	N	26.7	Very low	30.4	Very low	150 Å²	150	121.8 Å²	121.8	80%	0.802	65%	0.645	S	S	*	*			trans	-71.7	112.1	-170.5	-74.7	-11.1	0	0	0	112.4	S887	S887-N889 PolarHBondContact OG-OD1 2.97Å
890	V	24.6	Very low	30.4	Very low	139 Å²	139	119.6 Å²	119.6	84%	0.842	64%	0.637	S	S	*	*			trans	-123.9	118.4	154.3	-179.3	0	0	0	0	106.7	G888 D892	G888-V890 PolarHBondContact O-N 2.94Å; V890-D892 PolarHBondContact O-N 2.72Å
891	S	24.7	Very low	30.4	Very low	97 Å²	97	115.1 Å²	115.1	68%	0.678	63%	0.634	S	S	*	*			trans	-84.5	93.4	-169.1	-56.4	0	0	0	0	112.1	R893	S891-R893 PolarHBondContact O-N 3.11Å
892	D	28.3	Very low	30.4	Very low	136 Å²	136	117.9 Å²	117.9	73%	0.727	64%	0.635	S	S	*	*			trans	-70.6	105.4	175.7	-155.3	-16.1	0	0	0	110.9	V890 G894	V890-D892 PolarHBondContact O-N 2.72Å; D892-G894 PolarHBondContact O-N 2.68Å; D892-G894 VanDerWaalsContact O-N 3.13Å
893	R	37.3	Very low	30.3	Very low	199 Å²	199	123.7 Å²	123.7	75%	0.751	66%	0.656	S	S	*	*	S	Bend	trans	-89.9	66.2	-164.6	-73	-164.3	-179.2	-166	2.8	114.2	H618 S891	H618-R893 PolarHBondContact ND1-O 3.38Å; H618-R893 VanDerWaalsContact ND1-O 3.12Å; S891-R893 PolarHBondContact O-N 3.11Å
894	G	40.5	Very low	30.5	Very low	11 Å²	11	120.6 Å²	120.6	11%	0.113	65%	0.652	C	S	.	*	S	Bend	trans	-176.7	-39.1	163.8	0	0	0	0	0	115.2	D892	D892-G894 PolarHBondContact O-N 2.68Å; D892-G894 VanDerWaalsContact O-N 3.13Å
895	W	46.4	Very low	30.6	Very low	42 Å²	42	121.7 Å²	121.7	16%	0.159	66%	0.66	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-135.3	120	-170.9	-40.6	98	0	0	0	108.8	P667 C803 I818 Y897	P667-W895 HydrophobicContact CB-CB 4.48Å; P667-W895 HydrophobicContact CB-CD2 4.18Å; P667-W895 HydrophobicContact CB-CG 3.92Å; P667-W895 HydrophobicContact CG-CD2 4.19Å; P667-W895 HydrophobicContact CG-CG 4.44Å; C803-W895 HydrophobicContact CB-CH2 3.9Å; C803-W895 HydrophobicContact CB-CZ3 4.24Å; C803-W895 VanDerWaalsContact O-CE3 3.27Å; C803-W895 WeakPolarHBondContact O-CZ3 3.46Å; I818-W895 HydrophobicContact CB-CE3 3.73Å; I818-W895 HydrophobicContact CB-CZ3 3.7Å; I818-W895 HydrophobicContact CG2-CE3 3.54Å; I818-W895 HydrophobicContact CG2-CZ3 3.84Å; W895-Y897 HydrophobicContact CB-CE2 4.45Å
896	S	49.6	Very low	30.7	Very low	55 Å²	55	115.1 Å²	115.1	39%	0.385	65%	0.654	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-123.9	123.1	-179.2	49.3	0	0	0	0	110.7	Q817	Q817-S896 WeakPolarHBondContact CB-OG 3.19Å; Q817-S896 PolarHBondContact N-O 3.05Å; Q817-S896 PolarHBondContact O-N 3.2Å; Q817-S896 PolarHBondContact O-OG 3.48Å
897	Y	50.8	Low	30.7	Very low	68 Å²	68	109 Å²	109	27%	0.267	65%	0.647	S	S	.	*			trans	-107	112.3	178	-65	-87.1	0	0	0	109.1	L668 A808 R814 E815 F816 W895	L668-Y897 HydrophobicContact CD1-CE2 4.37Å; A808-Y897 HydrophobicContact CB-CD1 3.79Å; A808-Y897 HydrophobicContact CB-CE1 3.32Å; A808-Y897 HydrophobicContact CB-CE2 4.3Å; A808-Y897 HydrophobicContact CB-CG 4.45Å; R814-Y897 HydrophobicContact CB-CD1 4.4Å; E815-Y897 WeakPolarHBondContact O-CA 3.47Å; E815-Y897 WeakPolarHBondContact O-CD1 3.36Å; F816-Y897 HydrophobicContact CB-CD1 3.95Å; F816-Y897 HydrophobicContact CB-CE1 3.84Å; W895-Y897 HydrophobicContact CB-CE2 4.45Å
898	S	40.9	Very low	30.6	Very low	53 Å²	53	110 Å²	110	37%	0.371	65%	0.649	S	S	.	*			trans	-97.1	167	-173.1	54.4	0	0	0	0	113.6	E815	E815-S898 VanDerWaalsContact CB-OG 3.24Å; E815-S898 WeakPolarHBondContact CB-OG 3.37Å; E815-S898 VanDerWaalsContact OE2-C 3.28Å; E815-S898 VanDerWaalsContact OE2-CB 3.31Å; E815-S898 WeakPolarHBondContact OE2-CB 3.4Å; E815-S898 PolarHBondContact OE2-OG 3.34Å
899	M	25.6	Very low	30.8	Very low	145 Å²	145	116.1 Å²	116.1	71%	0.714	66%	0.659	S	S	*	*			trans	-136.5	99.4	167	-74	-82.7	-79.1	0	0	107.3	R814	R814-M899 PolarHBondContact NH1-SD 3.45Å
900	T	26.2	Very low	30.7	Very low	95 Å²	95	112.9 Å²	112.9	58%	0.583	66%	0.661	S	S	*	*			trans	-77.6	139.2	177.8	52.2	0	0	0	0	112.5	E815	E815-T900 WeakPolarHBondContact OE1-CG2 3.13Å; E815-T900 PolarHBondContact OE1-OG1 3.47Å; E815-T900 PolarHBondContact OE2-N 3.17Å
901	P	26.7	Very low	30.7	Very low	122 Å²	122	109.9 Å²	109.9	79%	0.792	66%	0.659	S	S	*	*			trans	-75.2	131.4	174.1	-14	29.4	0	0	0	111.7	N903	P901-N903 PolarHBondContact O-N 3.17Å
902	R	26.1	Very low	30.8	Very low	233 Å²	233	114.6 Å²	114.6	88%	0.879	67%	0.667	S	S	*	*			trans	-76	107.5	170.9	-70.1	-175.9	179.2	179.4	-0.1	110.8
903	N	23.1	Very low	30.5	Very low	165 Å²	165	116.4 Å²	116.4	88%	0.882	67%	0.671	S	S	*	*			trans	-70.6	124.8	156.6	-80.1	-19.7	0	0	0	108.8	P901	P901-N903 PolarHBondContact O-N 3.17Å
904	V	25	Very low	29.8	Very low	129 Å²	129	112 Å²	112	78%	0.782	67%	0.67	S	S	*	*			trans	-113.2	131	170.5	178.5	0	0	0	0	108
905	S	26	Very low	29.1	Very low	125 Å²	125	121 Å²	121	87%	0.874	71%	0.706	S	S	*	*			trans	-78.4	130.3	178.6	38.1	0	0	0	0	111.8
906	G	24.9	Very low	28.1	Very low	79 Å²	79	128.6 Å²	128.6	81%	0.814	74%	0.74	S	S	*	*			trans	-150.5	135.4	166.2	0	0	0	0	0	107.5
907	G	22.5	Very low	27.3	Very low	71 Å²	71	132.3 Å²	132.3	73%	0.732	76%	0.763	S	S	*	*			trans	-140.1	-159.9	-169.2	0	0	0	0	0	114.1
908	V	24.5	Very low	26.1	Very low	130 Å²	130	132.1 Å²	132.1	79%	0.788	78%	0.781	S	S	*	*			trans	89.6	122.3	173.1	-173.2	0	0	0	0	116.4
909	Q	26.1	Very low	25.5	Very low	194 Å²	194	140 Å²	140	91%	0.907	81%	0.805	S	S	*	*			trans	67.7	150.4	162.2	-70.7	164.2	19.6	0	0	119.8
910	G	24.6	Very low	25.6	Very low	82 Å²	82	139.4 Å²	139.4	85%	0.845	80%	0.804	S	S	*	*			trans	175.9	-89.8	178.2	0	0	0	0	0	115.1
911	G	24.1	Very low	25.7	Very low	77 Å²	77	140.7 Å²	140.7	79%	0.794	81%	0.812	S	S	*	*			trans	91.5	156.7	171.2	0	0	0	0	0	118.4
912	K	26.6	Very low	25.8	Very low	195 Å²	195	138.3 Å²	138.3	85%	0.848	81%	0.81	S	S	*	*			trans	61.1	103	160.9	-65.9	-170.2	174.5	-174.8	0	121.9
913	E	23.7	Very low	25.8	Very low	175 Å²	175	132.7 Å²	132.7	82%	0.818	80%	0.801	S	S	*	*				46.9	115.6	119.1	-67.1	-169.5	115.1	0	0	123.4
914	C	22.7	Very low	26.1	Very low	107 Å²	107	136.5 Å²	136.5	72%	0.723	80%	0.803	S	S	*	*				70.7	117.6	115.1	-159.4	0	0	0	0	121.5
915	K	24.3	Very low	26.4	Very low	200 Å²	200	135.8 Å²	135.8	87%	0.87	80%	0.804	S	S	*	*				-177.8	149.6	110.2	-97.8	164.9	-173.1	175.6	0	115.9
916	K	25.8	Very low	27.5	Very low	200 Å²	200	135.2 Å²	135.2	87%	0.87	80%	0.797	S	S	*	*			trans	-78.4	170.4	159.5	-81.5	-177.5	178.1	-178.5	0	109.9
917	P	34	Very low	27.9	Very low	133 Å²	133	136.8 Å²	136.8	86%	0.864	79%	0.791	S	S	*	*			cis	-139.3	-164.4	33	41.2	-18.9	0	0	0	114
918	G	24.6	Very low	28	Very low	64 Å²	64	139 Å²	139	66%	0.66	79%	0.791	S	S	*	*			cis	171.5	172.1	-9.2	0	0	0	0	0	113.8
919	Y	27.7	Very low	28.3	Very low	219 Å²	219	138.7 Å²	138.7	86%	0.859	78%	0.783	S	S	*	*			trans	-10.4	160	160.5	-61.1	-84.9	0	0	0	121.1
920	D	28.5	Very low	28.4	Very low	133 Å²	133	134.6 Å²	134.6	71%	0.711	77%	0.768	S	S	*	*			cis	-168.2	176.4	14.4	-139.1	-32.9	0	0	0	116.2
921	V	28.6	Very low	28.5	Very low	121 Å²	121	139.9 Å²	139.9	73%	0.733	76%	0.763	S	S	*	*			trans	62.1	139.2	162.5	-174.1	0	0	0	0	118	V923	V921-V923 HydrophobicContact CG1-CG2 3.62Å
922	G	27.8	Very low	28.6	Very low	73 Å²	73	141.3 Å²	141.3	75%	0.753	76%	0.757	S	S	*	*			cis	168.6	-155.5	3.1	0	0	0	0	0	109.7
923	V	27.9	Very low	28.7	Very low	115 Å²	115	137.7 Å²	137.7	70%	0.697	75%	0.751	S	S	*	*			cis	-159.1	118	-4.4	-174.9	0	0	0	0	112.1	V921	V921-V923 HydrophobicContact CG1-CG2 3.62Å
924	R	28.7	Very low	28.8	Very low	244 Å²	244	134.6 Å²	134.6	92%	0.921	74%	0.74	S	S	*	*			trans	70.7	160.8	151.8	-69.9	-176.3	175.3	-170.8	-1.5	125.2
925	S	30	Very low	29.3	Very low	114 Å²	114	137.5 Å²	137.5	80%	0.797	74%	0.743	S	S	*	*			trans	-124	-160.8	-167.1	-24.5	0	0	0	0	112.3
926	P	50.1	Low	29.5	Very low	113 Å²	113	135 Å²	135	73%	0.734	74%	0.739	S	S	*	*				-147.6	137.3	119.1	36.9	-21.2	0	0	0	118
927	T	33.2	Very low	29.6	Very low	112 Å²	112	131.9 Å²	131.9	69%	0.687	73%	0.728	S	S	*	*			trans	44.5	149.9	144.9	47.5	0	0	0	0	122.2	I929	T927-I929 HydrophobicContact CG2-CD1 3.85Å; T927-I929 HydrophobicContact CG2-CG1 4.42Å
928	T	25.4	Very low	29.4	Very low	119 Å²	119	132.7 Å²	132.7	73%	0.73	72%	0.718	S	S	*	*			cis	-153.6	117	46.8	-50.7	0	0	0	0	108.6
929	I	31.1	Very low	29.4	Very low	123 Å²	123	137.1 Å²	137.1	63%	0.631	73%	0.726	S	S	*	*				62	128.5	89.3	-73.6	167.8	0	0	0	112.7	T927	T927-I929 HydrophobicContact CG2-CD1 3.85Å; T927-I929 HydrophobicContact CG2-CG1 4.42Å
930	N	27.7	Very low	29.4	Very low	108 Å²	108	130.6 Å²	130.6	58%	0.578	71%	0.712	S	S	*	*			cis	-165.1	-178.4	-4.8	-101.1	4.4	0	0	0	105.7
931	Y	26.1	Very low	29.3	Very low	193 Å²	193	132.2 Å²	132.2	76%	0.757	72%	0.715	S	S	*	*			cis	-175.2	161.4	-12.9	-100.8	2.5	0	0	0	103.5
932	T	27.4	Very low	29.1	Very low	106 Å²	106	133.9 Å²	133.9	65%	0.65	72%	0.717	S	S	*	*			cis	-163.6	-177.3	-11.2	27.5	0	0	0	0	104.2
933	T	27.4	Very low	29	Very low	119 Å²	119	137.3 Å²	137.3	73%	0.73	72%	0.717	S	S	*	*			cis	-131.6	174.3	17.1	50	0	0	0	0	109.2
934	N	27	Very low	28.8	Very low	111 Å²	111	139.4 Å²	139.4	59%	0.594	73%	0.725	S	S	*	*			cis	76.5	139.4	29.1	-58.8	45.4	0	0	0	113.9
935	E	31.4	Very low	28.8	Very low	167 Å²	167	134 Å²	134	78%	0.78	71%	0.714	S	S	*	*			cis	-165.8	161.7	-8.6	-111.6	163.8	136.3	0	0	108.2
936	D	29.3	Very low	29	Very low	147 Å²	147	134.1 Å²	134.1	79%	0.786	71%	0.712	S	S	*	*				-162.5	178.4	-52.9	-155.5	-10.3	0	0	0	109.5
937	E	28.9	Very low	28.1	Very low	136 Å²	136	136 Å²	136	64%	0.636	72%	0.715	S	S	*	*			trans	78	140	155.3	-73.5	-144	112.6	0	0	124.8
938	K	28.4	Very low	27.8	Very low	149 Å²	149	142.1 Å²	142.1	65%	0.648	73%	0.727	S	S	*	*			trans	81.4	124.8	139.9	-81.4	176.9	173.8	76.8	0	124.3
939	L	25.7	Very low	27.8	Very low	158 Å²	158	139.2 Å²	139.2	83%	0.827	72%	0.721	S	S	*	*				14	145.9	125.9	-71.5	101.3	0	0	0	119.2
940	S	26.4	Very low	27.6	Very low	81 Å²	81	138.6 Å²	138.6	57%	0.566	73%	0.728	S	S	*	*			cis	-162	173.1	22.5	-157.8	0	0	0	0	112.7
941	E	26.6	Very low	27.4	Very low	167 Å²	167	142.1 Å²	142.1	78%	0.78	74%	0.743	S	S	*	*			trans	74.6	151	144.1	-96.1	148.7	-104.3	0	0	124.7
942	M	24.2	Very low	27.4	Very low	156 Å²	156	137.3 Å²	137.3	77%	0.768	74%	0.743	S	S	*	*			trans	64.7	105.3	160.7	-67.6	-178.4	66.1	0	0	121.1
943	L	25.2	Very low	27.4	Very low	146 Å²	146	141.8 Å²	141.8	76%	0.764	75%	0.753	S	S	*	*				30.8	117.1	116.2	-61.4	166.7	0	0	0	117.6
944	D	24.3	Very low	27.5	Very low	159 Å²	159	140.3 Å²	140.3	85%	0.85	75%	0.748	S	S	*	*				-164.1	161.5	90.1	-111.5	-25.2	0	0	0	113.7
945	N	29.3	Very low	27.6	Very low	131 Å²	131	142.6 Å²	142.6	70%	0.701	76%	0.755	S	S	*	*			trans	-119.9	129	172.6	178.1	24.9	0	0	0	107.8	L947	N945-L947 PolarHBondContact OD1-N 3.31Å
946	P	34.3	Very low	27.4	Very low	116 Å²	116	139.9 Å²	139.9	75%	0.753	75%	0.745	S	S	*	*				-146	145.9	113.5	35.6	-20.8	0	0	0	115.7
947	L	30	Very low	27.5	Very low	153 Å²	153	140.9 Å²	140.9	80%	0.801	75%	0.746	S	S	*	*			trans	-68.4	124.2	152	-75.9	157.4	0	0	0	110.2	N945	N945-L947 PolarHBondContact OD1-N 3.31Å
948	Y	28.3	Very low	27.6	Very low	239 Å²	239	138.8 Å²	138.8	94%	0.937	75%	0.751	S	S	*	*			trans	-172.1	155.7	139.9	-120.5	-80.1	0	0	0	112.9
949	G	24.9	Very low	27.9	Very low	58 Å²	58	139.6 Å²	139.6	60%	0.598	76%	0.755	S	S	*	*			trans	94.9	85.3	132.4	0	0	0	0	0	120.6
950	S	26.5	Very low	28.2	Very low	111 Å²	111	136.9 Å²	136.9	78%	0.776	74%	0.741	S	S	*	*				55.4	145.8	118.7	-74.7	0	0	0	0	124.8
951	M	24.6	Very low	28.7	Very low	181 Å²	181	141.5 Å²	141.5	89%	0.892	75%	0.754	S	S	*	*			trans	69.4	93.3	148.8	-72.3	-164	-78.5	0	0	120.2
952	A	25.7	Very low	28.5	Very low	92 Å²	92	136.7 Å²	136.7	76%	0.76	75%	0.749	S	S	*	*			trans	-18.2	141.6	137.4	0	0	0	0	0	118.1
953	K	27.3	Very low	29.1	Very low	200 Å²	200	138.4 Å²	138.4	87%	0.87	76%	0.755	S	S	*	*				-163.4	145.1	107.3	-105.6	168.3	-174.9	177.2	0	115
954	S	29.6	Very low	30.9	Very low	88 Å²	88	136.1 Å²	136.1	62%	0.615	75%	0.748	S	S	*	*			trans	-27.3	149.3	164.3	52.8	0	0	0	0	119.6
955	H	28.7	Very low	31.5	Very low	160 Å²	160	136.8 Å²	136.8	74%	0.741	75%	0.747	S	S	*	*				-164.1	141.6	105.4	-103.7	-63.3	0	0	0	116.8
956	N	27.5	Very low	31.7	Very low	109 Å²	109	137 Å²	137	58%	0.583	75%	0.747	S	S	*	*			trans	75.6	107.1	138.3	-70.7	-3.8	0	0	0	125.9
957	Q	31.8	Very low	31.6	Very low	169 Å²	169	136.8 Å²	136.8	79%	0.79	74%	0.74	S	S	*	*				66	116.3	108	-66.4	173.1	-1	0	0	122.9
958	A	29.6	Very low	31.8	Very low	91 Å²	91	139.3 Å²	139.3	75%	0.752	74%	0.738	S	S	*	*				-156	128	115.6	0	0	0	0	0	107.2
959	K	34.8	Very low	31.9	Very low	166 Å²	166	134.9 Å²	134.9	72%	0.722	73%	0.73	S	S	*	*				67.1	137.3	68.2	-71.8	-165.3	139.8	-89	0	112.9
960	D	33.5	Very low	32.1	Very low	102 Å²	102	138.3 Å²	138.3	55%	0.545	74%	0.74	S	S	.	*			cis	-159.6	172.6	6	-114.4	9.4	0	0	0	107.4
961	Q	35.1	Very low	33.5	Very low	178 Å²	178	138.4 Å²	138.4	83%	0.832	74%	0.737	S	S	*	*			cis	-162.1	175.9	-0.3	-133.4	177.1	86.9	0	0	108.9
962	G	23.2	Very low	33.7	Very low	66 Å²	66	135.5 Å²	135.5	68%	0.68	73%	0.73	S	S	*	*			trans	163	121.1	165.5	0	0	0	0	0	116.6
963	H	37.3	Very low	34.1	Very low	192 Å²	192	138 Å²	138	89%	0.889	73%	0.73	S	S	*	*			trans	-173	-177.6	-172.2	-104.9	-20.3	0	0	0	110.2
964	P	62.7	Low	34.3	Very low	97 Å²	97	135.9 Å²	135.9	63%	0.63	73%	0.727	S	S	*	*			cis	-139	177.4	-3.2	40.3	-21.7	0	0	0	117.7
965	Q	36.1	Very low	34.2	Very low	174 Å²	174	135.2 Å²	135.2	81%	0.813	73%	0.734	S	S	*	*			trans	60	166.5	142.3	-81.2	176.1	-43.4	0	0	122.4
966	L	33.7	Very low	34.2	Very low	134 Å²	134	134 Å²	134	70%	0.702	73%	0.733	S	S	*	*			cis	-147.3	179.7	13.1	-148.5	69.7	0	0	0	108.4
967	D	32.7	Very low	34.8	Very low	113 Å²	113	134.1 Å²	134.1	60%	0.604	74%	0.74	S	S	*	*			cis	-145.6	-107.2	0.7	-167.9	45.2	0	0	0	114.8
968	R	34.4	Very low	34.6	Very low	206 Å²	206	132 Å²	132	78%	0.777	73%	0.734	S	S	*	*			trans	-152.8	160.1	-157.9	-67.3	161.1	151.4	-173.6	-6	115.1
969	L	30.9	Very low	34.6	Very low	145 Å²	145	138.6 Å²	138.6	76%	0.759	74%	0.74	S	S	*	*				168.3	124.1	109	-93.3	174.4	0	0	0	116.8
970	T	28.8	Very low	35.3	Very low	130 Å²	130	135.8 Å²	135.8	80%	0.798	74%	0.738	S	S	*	*			trans	61.7	158.7	147.3	42.4	0	0	0	0	122.9
971	P	55.4	Low	35.9	Very low	113 Å²	113	135.9 Å²	135.9	73%	0.734	74%	0.744	S	S	*	*			trans	-133.7	-178.6	-151.3	45.7	-30.8	0	0	0	117.1
972	T	29.1	Very low	35.7	Very low	121 Å²	121	134.5 Å²	134.5	74%	0.742	74%	0.742	S	S	*	*			trans	-166.8	134.7	136.4	20.8	0	0	0	0	113.6
973	I	33.1	Very low	35.8	Very low	145 Å²	145	138.3 Å²	138.3	74%	0.744	75%	0.746	S	S	*	*			trans	63.2	140.9	144.6	-57.8	163.6	0	0	0	119
974	D	31.7	Very low	35.4	Very low	154 Å²	154	135 Å²	135	82%	0.824	74%	0.739	S	S	*	*			cis	-172.6	154.1	-36.9	-85.2	-38.9	0	0	0	105.6
975	G	28	Very low	34.2	Very low	74 Å²	74	136.4 Å²	136.4	76%	0.763	75%	0.748	S	S	*	*			cis	-169.6	170.6	-2.3	0	0	0	0	0	111.4
976	D	29.4	Very low	33.8	Very low	134 Å²	134	138.5 Å²	138.5	72%	0.717	75%	0.749	S	S	*	*			trans	-84.1	151.5	-175.4	179.8	46.3	0	0	0	113	N978	D976-N978 PolarHBondContact OD1-N 3.35Å; D976-N978 VanDerWaalsContact OD1-N 3.08Å; D976-N978 PolarHBondContact OD2-ND2 3Å; D976-N978 VanDerWaalsContact OD2-ND2 3.08Å
977	P	38.8	Very low	33.5	Very low	112 Å²	112	137.9 Å²	137.9	73%	0.727	75%	0.746	S	S	*	*				-151.4	128.2	100.9	35.8	-15.6	0	0	0	118.3
978	N	28.5	Very low	33.2	Very low	124 Å²	124	143.4 Å²	143.4	66%	0.663	76%	0.758	S	S	*	*				47.6	114.2	129.2	-67.7	-83.6	0	0	0	123.4	D976	D976-N978 PolarHBondContact OD1-N 3.35Å; D976-N978 VanDerWaalsContact OD1-N 3.08Å; D976-N978 PolarHBondContact OD2-ND2 3Å; D976-N978 VanDerWaalsContact OD2-ND2 3.08Å
979	R	30.1	Very low	32.8	Very low	231 Å²	231	137.9 Å²	137.9	87%	0.872	75%	0.751	S	S	*	*				41.2	158.4	118	-130.9	-170.1	-168.4	-137.7	4	121.8
980	P	49.8	Very low	32.5	Very low	106 Å²	106	139.5 Å²	139.5	69%	0.688	75%	0.752	S	S	*	*				-107.3	-153.6	-77.3	43.2	-27.4	0	0	0	110.6
981	P	44.9	Very low	32.6	Very low	104 Å²	104	139.2 Å²	139.2	68%	0.675	75%	0.751	S	S	*	*			cis	-140.4	178.3	-4.5	44.9	-26.4	0	0	0	118.5
982	L	31.1	Very low	31.1	Very low	150 Å²	150	139.7 Å²	139.7	79%	0.785	76%	0.757	S	S	*	*			trans	71.5	141.4	148.3	-77.8	165.7	0	0	0	124
983	L	25.4	Very low	31.1	Very low	146 Å²	146	138.8 Å²	138.8	76%	0.764	76%	0.756	S	S	*	*			trans	82.7	129.2	142.3	-78	165.1	0	0	0	124.2
984	V	28.6	Very low	31	Very low	123 Å²	123	140.1 Å²	140.1	75%	0.745	76%	0.758	S	S	*	*			trans	49.7	133.7	158.3	-115.9	0	0	0	0	122.4
985	P	37.8	Very low	31	Very low	125 Å²	125	138.8 Å²	138.8	81%	0.812	75%	0.752	S	S	*	*			trans	-92	133.7	157.6	34.6	-30.5	0	0	0	112.4
986	R	27.1	Very low	31.1	Very low	219 Å²	219	145.7 Å²	145.7	83%	0.826	76%	0.755	S	S	*	*			trans	-152	124.7	170.8	-157.6	178	-169	179.5	4.5	113.1
987	N	27.8	Very low	31	Very low	120 Å²	120	145 Å²	145	64%	0.642	76%	0.76	S	S	*	*			trans	56.5	124.9	155.5	-73.6	-11.8	0	0	0	122
988	R	26.5	Very low	30.9	Very low	229 Å²	229	147.9 Å²	147.9	86%	0.864	76%	0.764	S	S	*	*			trans	71.2	156	137.9	-65.9	-179.9	-177.2	-167.2	0	115.9
989	S	26.2	Very low	32.3	Very low	90 Å²	90	146.9 Å²	146.9	63%	0.629	76%	0.764	S	S	*	*			cis	-166.4	-176.8	1.8	24.5	0	0	0	0	111.4
990	F	24	Very low	32.3	Very low	179 Å²	179	143.9 Å²	143.9	79%	0.785	76%	0.76	S	S	*	*			trans	84.8	103.9	156.5	-71.6	-71.1	0	0	0	121.2
991	T	31	Very low	31.4	Very low	125 Å²	125	144.7 Å²	144.7	77%	0.767	76%	0.763	S	S	*	*				37.9	136.1	123.9	58.7	0	0	0	0	122.5
992	S	23.4	Very low	31.9	Very low	123 Å²	123	144.7 Å²	144.7	86%	0.86	76%	0.763	S	S	*	*			trans	-136.7	170.5	137.3	-167.4	0	0	0	0	110.1
993	S	29.8	Very low	31.9	Very low	102 Å²	102	144.1 Å²	144.1	71%	0.713	77%	0.766	S	S	*	*			trans	-146.5	158.5	-160.7	58.8	0	0	0	0	113.4
994	E	32.2	Very low	32.3	Very low	172 Å²	172	140.1 Å²	140.1	80%	0.804	76%	0.76	S	S	*	*			trans	-178.2	159.3	142.1	-104.1	173.2	-155.4	0	0	109.8
995	N	30.5	Very low	32.2	Very low	127 Å²	127	142.5 Å²	142.5	68%	0.679	77%	0.767	S	S	*	*			cis	-144.8	-178.9	8.5	-137.8	-43.5	0	0	0	113.5
996	R	30.9	Very low	32.1	Very low	219 Å²	219	145.1 Å²	145.1	83%	0.826	77%	0.768	S	S	*	*			trans	-91.2	153.6	-165.9	-67.1	166.6	154.6	177.7	-6	117.5
997	S	27.2	Very low	33.1	Very low	120 Å²	120	140.4 Å²	140.4	84%	0.839	77%	0.766	S	S	*	*				-169.2	102.2	125.6	60	0	0	0	0	116.6
998	Q	36.6	Very low	34.1	Very low	172 Å²	172	140.9 Å²	140.9	80%	0.804	78%	0.775	S	S	*	*			trans	-16.9	173.1	149.6	-88.3	-174.3	-25.3	0	0	122.8
999	P	58.3	Low	34.3	Very low	102 Å²	102	133.6 Å²	133.6	66%	0.662	77%	0.772	S	S	*	*				-147.5	-163.7	-60.1	37.8	-13	0	0	0	115.8
1000	Q	29	Very low	34.6	Very low	169 Å²	169	138.8 Å²	138.8	79%	0.79	79%	0.786	S	S	*	*			trans	115.6	92.9	148.3	-56.9	-155.2	-16	0	0	122.7
1001	T	30.6	Very low	35	Very low	122 Å²	122	140.3 Å²	140.3	75%	0.748	79%	0.792	S	S	*	*				41.9	165	109.7	46.6	0	0	0	0	124.5
1002	P	55.5	Low	34.9	Very low	105 Å²	105	143.9 Å²	143.9	68%	0.682	80%	0.797	S	S	*	*			cis	-142.7	-173.7	-10.4	29.1	-3.5	0	0	0	117.9
1003	V	31.7	Very low	36.6	Very low	138 Å²	138	143.6 Å²	143.6	84%	0.836	79%	0.792	S	S	*	*			trans	69.6	143.4	161.2	-157.2	0	0	0	0	117.5
1004	G	33	Very low	36.5	Very low	62 Å²	62	145 Å²	145	64%	0.639	80%	0.796	S	S	*	*			cis	137.2	117.3	-4.3	0	0	0	0	0	111.7
1005	L	28.1	Very low	36.6	Very low	172 Å²	172	143 Å²	143	90%	0.901	80%	0.795	S	S	*	*				178.3	172.9	92.1	-92.4	161.9	0	0	0	112.4
1006	H	34.4	Very low	37.8	Very low	181 Å²	181	142 Å²	142	84%	0.838	80%	0.796	S	S	*	*			trans	-86.7	-178.6	-176.4	-72.8	-74.4	0	0	0	113.8
1007	P	47.3	Very low	37.9	Very low	120 Å²	120	136.4 Å²	136.4	78%	0.779	79%	0.79	S	S	*	*			cis	-134.9	-139.4	16.3	39.3	-13.3	0	0	0	115.4
1008	P	50.3	Low	38.3	Very low	129 Å²	129	142.1 Å²	142.1	84%	0.838	79%	0.793	S	S	*	*				-125.4	171.7	-113.3	39.4	-19.8	0	0	0	116.9
1009	G	30.1	Very low	38.2	Very low	76 Å²	76	138.6 Å²	138.6	78%	0.784	79%	0.788	S	S	*	*			trans	-175.1	125.4	167.1	0	0	0	0	0	114.2
1010	H	33.2	Very low	37.1	Very low	199 Å²	199	143.3 Å²	143.3	92%	0.921	80%	0.801	S	S	*	*			trans	-75.3	147.1	177.4	-69.9	-82.4	0	0	0	112.3
1011	K	32.8	Very low	37.1	Very low	211 Å²	211	139 Å²	139	92%	0.917	80%	0.802	S	S	*	*			trans	-139.4	129.2	165.6	-77.2	-165.2	175.3	-175.9	0	114.6
1012	K	28.4	Very low	37	Very low	201 Å²	201	137.1 Å²	137.1	87%	0.874	81%	0.806	S	S	*	*			trans	-158	167.6	157.4	-100.2	-167.8	177.4	-175	0	105
1013	P	57.8	Low	35.9	Very low	117 Å²	117	141.3 Å²	141.3	76%	0.76	82%	0.819	S	S	*	*			cis	-118.9	-143.1	-39.4	40	-28	0	0	0	109
1014	V	28.1	Very low	35.9	Very low	130 Å²	130	138.7 Å²	138.7	79%	0.788	81%	0.812	S	S	*	*			trans	140.3	136	140.3	170	0	0	0	0	115.1
1015	V	35.1	Very low	35.7	Very low	132 Å²	132	140.5 Å²	140.5	80%	0.8	82%	0.815	S	S	*	*			trans	-145.7	163.3	155.3	-127.3	0	0	0	0	104.4
1016	P	54.8	Low	35.7	Very low	106 Å²	106	141 Å²	141	69%	0.688	81%	0.812	S	S	*	*			cis	-142.5	-167.4	3.3	39.1	-16.6	0	0	0	116.7
1017	S	33	Very low	35.6	Very low	100 Å²	100	143.7 Å²	143.7	70%	0.699	82%	0.815	S	S	*	*			trans	93.8	129.3	142.3	-67.8	0	0	0	0	124.7
1018	R	35.5	Very low	36	Very low	241 Å²	241	143.7 Å²	143.7	91%	0.909	82%	0.815	S	S	*	*			trans	68	153.6	150.2	-72.5	-176.5	-180	-173.7	0.1	118.6
1019	S	34.8	Very low	36	Very low	98 Å²	98	143.1 Å²	143.1	69%	0.685	81%	0.811	S	S	*	*			cis	-166.4	165.9	-6.6	39.6	0	0	0	0	113
1020	E	35	Very low	36.7	Very low	200 Å²	200	147.2 Å²	147.2	94%	0.935	81%	0.814	S	S	*	*			trans	64.5	156.2	167.1	-63.5	-179.5	174.4	0	0	118.7
1021	G	30.7	Very low	37.5	Very low	80 Å²	80	144 Å²	144	83%	0.825	81%	0.811	S	S	*	*			cis	170.4	152.8	-10.2	0	0	0	0	0	112.5
1022	G	28.3	Very low	38	Very low	81 Å²	81	140.1 Å²	140.1	84%	0.835	81%	0.805	S	S	*	*			trans	142.8	100.1	165	0	0	0	0	0	122.1
1023	M	30.9	Very low	38.3	Very low	194 Å²	194	140.7 Å²	140.7	96%	0.956	81%	0.808	S	S	*	*			trans	34.9	128.6	143.7	-72.2	-164.4	170.1	0	0	127.7
1024	A	31.3	Very low	37.3	Very low	82 Å²	82	140.7 Å²	140.7	68%	0.678	81%	0.811	S	S	*	*				80	116.8	121.6	0	0	0	0	0	126.3
1025	S	30.5	Very low	37.8	Very low	100 Å²	100	143.2 Å²	143.2	70%	0.699	81%	0.806	S	S	*	*			trans	60	156	132	73.6	0	0	0	0	121.7
1026	H	28	Very low	38.5	Very low	184 Å²	184	142.8 Å²	142.8	85%	0.852	81%	0.806	S	S	*	*			cis	-146.3	175.6	15.2	-92	-82.3	0	0	0	113
1027	R	31	Very low	37.8	Very low	237 Å²	237	143.9 Å²	143.9	89%	0.894	80%	0.802	S	S	*	*			trans	-75.9	176	159.8	-74.5	-179.8	173.3	178.2	-1.8	111.2
1028	P	56.4	Low	39.1	Very low	119 Å²	119	143.7 Å²	143.7	77%	0.773	80%	0.798	S	S	*	*			cis	-123.4	-135.4	3.6	32.3	-6.4	0	0	0	110.2
1029	P	50.2	Low	39	Very low	117 Å²	117	140.2 Å²	140.2	76%	0.76	79%	0.792	S	S	*	*			cis	-135.3	-146.1	-12.8	44.2	-22.9	0	0	0	115
1030	L	45.4	Very low	39.3	Very low	162 Å²	162	141 Å²	141	85%	0.848	79%	0.793	S	S	*	*			trans	-121.1	160.5	172.9	-75.1	164.9	0	0	0	111
1031	P	49.3	Very low	40.1	Very low	132 Å²	132	137.3 Å²	137.3	86%	0.857	79%	0.786	S	S	*	*				-149.7	175.7	125.8	38.3	-21.8	0	0	0	116.5
1032	T	42.6	Very low	40.5	Very low	130 Å²	130	142.7 Å²	142.7	80%	0.798	79%	0.787	S	S	*	*			trans	-108.3	157	-179.5	53.7	0	0	0	0	113.8
1033	K	34.7	Very low	41.9	Very low	212 Å²	212	144 Å²	144	92%	0.922	78%	0.781	S	S	*	*			trans	-175.1	-174.4	144.5	-106.5	163.8	-173.7	179.1	0	115.2
1034	S	38.7	Very low	42.2	Very low	118 Å²	118	145 Å²	145	83%	0.825	77%	0.774	S	S	*	*			trans	-132.8	176.4	-147.8	56.5	0	0	0	0	117.6
1035	R	36.8	Very low	42.4	Very low	183 Å²	183	146.8 Å²	146.8	69%	0.691	77%	0.772	S	S	*	*			trans	-65.2	162.9	-172.9	-167.7	-169	-177.8	-142.5	2.7	117.8	E1037	R1035-E1037 IonicContact CZ-OE1 3.11Å; R1035-E1037 IonicContact NH1-OE1 2.68Å; R1035-E1037 PolarHBondContact NH1-OE1 3.08Å; R1035-E1037 IonicContact NH2-OE1 2.72Å; R1035-E1037 PolarHBondContact NH2-OE1 3.08Å
1036	P	49.8	Very low	42.7	Very low	122 Å²	122	150.4 Å²	150.4	79%	0.792	77%	0.772	S	S	*	*			trans	-128.3	171.1	140.8	38.4	-27.3	0	0	0	115.5
1037	E	41.6	Very low	43.2	Very low	129 Å²	129	151 Å²	151	60%	0.603	77%	0.766	S	S	*	*			trans	-137.2	165.8	-172.4	-151.8	-176.5	-119.9	0	0	111.1	R1035	R1035-E1037 IonicContact CZ-OE1 3.11Å; R1035-E1037 IonicContact NH1-OE1 2.68Å; R1035-E1037 PolarHBondContact NH1-OE1 3.08Å; R1035-E1037 IonicContact NH2-OE1 2.72Å; R1035-E1037 PolarHBondContact NH2-OE1 3.08Å
1038	P	60	Low	43.3	Very low	97 Å²	97	145 Å²	145	63%	0.63	75%	0.752	S	S	*	*				-143.3	-169.7	91.9	43.2	-26.3	0	0	0	112.1
1039	Q	32.6	Very low	42.3	Very low	167 Å²	167	144.9 Å²	144.9	78%	0.78	75%	0.749	S	S	*	*			cis	-155.5	-164.5	13.1	-151.5	125	18	0	0	114.2
1040	T	42.2	Very low	41.5	Very low	114 Å²	114	144.3 Å²	144.3	70%	0.699	75%	0.748	S	S	*	*			trans	-98.3	168.6	-167.6	30.8	0	0	0	0	116.1
1041	P	51.6	Low	40.9	Very low	123 Å²	123	145.8 Å²	145.8	80%	0.799	75%	0.751	S	S	*	*			cis	-141.8	-175.5	43.8	39.5	-17.1	0	0	0	120.5
1042	K	38.7	Very low	40.3	Very low	194 Å²	194	149.4 Å²	149.4	84%	0.843	75%	0.753	S	S	*	*			trans	-132.9	-161.9	-177	-62	-172.9	174.8	-177.5	0	108.6
1043	P	58.4	Low	40.8	Very low	107 Å²	107	148.3 Å²	148.3	70%	0.695	75%	0.748	S	S	*	*			cis	-148.8	173.5	-0.1	44.5	-24.3	0	0	0	120.8
1044	R	36.3	Very low	40.7	Very low	217 Å²	217	142.8 Å²	142.8	82%	0.819	74%	0.736	S	S	*	*			trans	71.2	159.1	142.1	-83.2	179.2	156.8	160.6	3.4	121.3
1045	D	36.8	Very low	40.5	Very low	118 Å²	118	146 Å²	146	63%	0.631	74%	0.735	S	S	*	*			cis	-162.5	159.1	9.1	-119.5	-17.5	0	0	0	116.7
1046	Y	35.1	Very low	40.3	Very low	177 Å²	177	145.8 Å²	145.8	69%	0.694	74%	0.742	S	S	*	*			trans	70.2	130.6	140.7	-97.1	-123.3	0	0	0	130.9
1047	R	38.3	Very low	39.4	Very low	196 Å²	196	151.9 Å²	151.9	74%	0.74	75%	0.749	S	S	*	*			trans	68.8	155.5	139.4	-93.7	-171.6	158.9	135.6	3.8	123.3
1048	D	34.3	Very low	39.2	Very low	112 Å²	112	150 Å²	150	60%	0.599	76%	0.756	S	S	*	*			cis	-161.8	166.6	2.1	-134.4	-12.3	0	0	0	116.7
1049	T	34.2	Very low	39.3	Very low	116 Å²	116	150.6 Å²	150.6	71%	0.712	76%	0.76	S	S	*	*			trans	59.7	133.7	149.6	50	0	0	0	0	129.8
1050	S	35	Very low	39.4	Very low	104 Å²	104	149.3 Å²	149.3	73%	0.727	76%	0.763	S	S	*	*				94.5	116	128.8	54.8	0	0	0	0	127.7
1051	E	31.8	Very low	39.2	Very low	194 Å²	194	155.3 Å²	155.3	91%	0.907	77%	0.773	S	S	*	*			trans	91.1	162	133.6	-69	-175	-173.8	0	0	126.1
1052	F	36.2	Very low	39.4	Very low	207 Å²	207	155.4 Å²	155.4	91%	0.908	77%	0.774	S	S	*	*			trans	-133.6	-167.4	-161.2	-92.3	-75.6	0	0	0	110.3
1053	P	53.5	Low	39.3	Very low	107 Å²	107	149.4 Å²	149.4	70%	0.695	77%	0.767	S	S	*	*			cis	-148.6	157	9.4	42.8	-20.5	0	0	0	121.7
1054	S	33.2	Very low	39.1	Very low	96 Å²	96	151 Å²	151	67%	0.671	78%	0.778	S	S	*	*			trans	80.2	151	131.8	78.8	0	0	0	0	127.9
1055	K	33.9	Very low	39.3	Very low	186 Å²	186	148.3 Å²	148.3	81%	0.809	78%	0.779	S	S	*	*			trans	96.5	99.6	140.9	-82.8	167.1	-178.3	176.1	0	125.8
1056	Q	33.7	Very low	40.8	Very low	179 Å²	179	148 Å²	148	84%	0.836	78%	0.783	S	S	*	*				31.5	133.9	125.9	-63.5	-177.8	-15.7	0	0	126.7
1057	R	30.8	Very low	42.2	Very low	249 Å²	249	144.5 Å²	144.5	94%	0.94	78%	0.782	S	S	*	*			trans	73.5	162.7	142	-86	-176.2	172.1	176.2	-2.3	122.5
1058	A	37.6	Very low	42.4	Very low	89 Å²	89	143.6 Å²	143.6	74%	0.736	79%	0.786	S	S	*	*			trans	-118.8	-167.6	-176.2	0	0	0	0	0	110.9
1059	P	60.4	Low	42.7	Very low	110 Å²	110	145.2 Å²	145.2	71%	0.714	79%	0.788	S	S	*	*			cis	-145.6	-169.3	4.3	39.1	-15	0	0	0	118.6
1060	T	34.8	Very low	43	Very low	140 Å²	140	145.7 Å²	145.7	86%	0.859	79%	0.786	S	S	*	*			trans	88	160.2	151.5	19.6	0	0	0	0	125.5
1061	R	39.2	Very low	42.8	Very low	240 Å²	240	148.4 Å²	148.4	91%	0.906	79%	0.789	S	S	*	*			trans	-62.4	179.8	-175.7	-106.8	-175.7	172.5	-177.8	-1.9	116.8
1062	P	55.5	Low	43.1	Very low	125 Å²	125	147.5 Å²	147.5	81%	0.812	78%	0.784	S	S	*	*			cis	-135.2	-162.3	8.2	37.9	-14.6	0	0	0	116.9
1063	G	35.5	Very low	43	Very low	68 Å²	68	143 Å²	143	70%	0.701	78%	0.779	S	S	*	*			trans	-108	-172.4	-178.8	0	0	0	0	0	116.5
1064	P	55.8	Low	42.1	Very low	141 Å²	141	147 Å²	147	92%	0.916	79%	0.788	S	S	*	*				-151.1	-143.6	87.7	42.7	-21.5	0	0	0	117.9
1065	L	39	Very low	42.3	Very low	161 Å²	161	151.3 Å²	151.3	84%	0.843	80%	0.797	S	S	*	*			trans	-117.1	-173.9	-148.9	-79.5	166.2	0	0	0	116.3
1066	P	68.4	Low	43.8	Very low	111 Å²	111	147.2 Å²	147.2	72%	0.721	79%	0.79	S	S	*	*			cis	-119	-97.6	-21.9	26.9	-2.3	0	0	0	112.1
1067	P	65.6	Low	43.8	Very low	104 Å²	104	147.9 Å²	147.9	68%	0.675	79%	0.79	S	S	*	*			cis	-131.5	141.3	-25.9	37	-17.3	0	0	0	118.4
1068	Q	42.6	Very low	44.4	Very low	177 Å²	177	142.6 Å²	142.6	83%	0.827	79%	0.786	S	S	*	*			trans	59.6	149	158.4	-68.5	-162.9	-7.1	0	0	120.1
1069	K	39.5	Very low	44	Very low	146 Å²	146	142.4 Å²	142.4	64%	0.635	79%	0.792	S	S	*	*			cis	-161.7	172.2	1.1	-115.4	175.1	159.9	-72.1	0	106.9
1070	D	40.9	Very low	43.1	Very low	125 Å²	125	148.9 Å²	148.9	67%	0.668	80%	0.802	S	S	*	*			cis	-139.8	-148.7	-3.6	-106	-41.8	0	0	0	106.6
1071	M	30.1	Very low	44.4	Very low	161 Å²	161	147.2 Å²	147.2	79%	0.793	79%	0.794	S	S	*	*			cis	-156.7	-172.4	1	-152.8	-152.2	146.9	0	0	109.6
1072	H	39.1	Very low	44.5	Very low	175 Å²	175	141.6 Å²	141.6	81%	0.81	79%	0.786	S	S	*	*			trans	-155.8	153.9	-171.9	-90.6	-83	0	0	0	117.3
1073	S	33.9	Very low	43.9	Very low	112 Å²	112	146.6 Å²	146.6	78%	0.783	81%	0.806	S	S	*	*			trans	157.2	156.1	140.6	50.6	0	0	0	0	111.8
1074	E	35.7	Very low	44.3	Very low	193 Å²	193	150.6 Å²	150.6	90%	0.902	81%	0.812	S	S	*	*			cis	-161.2	-172.4	-43.6	-130.9	-176.3	173.6	0	0	109.7
1075	H	37.4	Very low	43.7	Very low	185 Å²	185	151.1 Å²	151.1	86%	0.856	81%	0.806	S	S	*	*			trans	-114.1	-158.4	-174	-88	-45.4	0	0	0	112.4
1076	P	63.7	Low	44	Very low	101 Å²	101	150.5 Å²	150.5	66%	0.656	80%	0.804	S	S	*	*				-128.4	178.3	-69.1	37.4	-22.2	0	0	0	114.2
1077	K	34.3	Very low	42.5	Very low	192 Å²	192	152.8 Å²	152.8	84%	0.835	81%	0.809	S	S	*	*				165.4	141.6	128.9	-91.8	163.4	-175	174.9	0	118.2
1078	T	43.7	Very low	41.1	Very low	139 Å²	139	155.9 Å²	155.9	85%	0.853	82%	0.817	S	S	*	*			trans	6.5	134.4	151.8	57.2	0	0	0	0	123.5
1079	G	30.1	Very low	41	Very low	85 Å²	85	154.5 Å²	154.5	88%	0.876	82%	0.817	S	S	*	*			trans	-163.2	155.3	160.8	0	0	0	0	0	113.8
1080	R	39.4	Very low	41.1	Very low	245 Å²	245	155.1 Å²	155.1	93%	0.925	83%	0.83	S	S	*	*			trans	-137	171.3	-178.4	-112.2	-167.6	176.9	-175.4	-0.6	107.7
1081	P	64.1	Low	41.1	Very low	105 Å²	105	157.4 Å²	157.4	68%	0.682	84%	0.842	S	S	*	*			cis	-130.1	-145	-45.5	35.7	-14.3	0	0	0	109.9
1082	V	40.5	Very low	42	Very low	122 Å²	122	157.1 Å²	157.1	74%	0.739	85%	0.846	S	S	*	*			trans	76.3	137.7	170.2	-168.9	0	0	0	0	114.2
1083	N	42.2	Very low	42.3	Very low	231 Å²	231	155.5 Å²	155.5	100%	1.235	85%	0.849	S	S	*	*			cis	-108.6	0	-2.8	-101	-47.2	0	0	0	110.8

Retrieved 1,083 of 1,083 residues in 1162.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).