A0A087Y0S8_POEFO Loading...

DEAH (Asp-Glu-Ala-His) box polypeptide 34

AlphaFold DB , UniProt , Accession A0A087Y0S8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,146 aa.

						>A0A087Y0S8_POEFO|A0A087Y0S8
MDRDRSRDGRSWDWGSPQNRAQMDEIFFREQDYIQAGSTEHKEFWAFFDRFQRFKAKREMSGSGIRDDVKEKKRSGSEKVDLGLPKEYDARYRINVSVCTGDIEKRLGKSDPRSRQRSSGPGPQEVSDCRLALLHFLDFSQKQSFGKLAKLRREQKNLPIFQYRDRIVELVRLHPVIVVAGDTGCGKSTQVPQYLLSAGFSHIACTQPRRIACISLAKRVSFESLNQFGSKVGYQIRFETSRTAATKLLFLTEGLLLRQIQQDKMLDQYQVVIVDEVHERHLHCDFLLGVLRSLLADRPDLRLILMSATINIKLFSEYFRSAPVLQVPGRLFPIQVIYQPIPPEEQPSRSEKLDPRPYLRILQGIDQRYPPEERGDLLLFLSGVAEISNIQEACQVYATHTRRWIVLPLHSTLSLAQQDKVFDVAPPGVRKCIISTNIAETSVTIDGVRFVVDSGKVKEMSFDPKAKMQRLQEFWISRASSEQRKGRAGRTGPGVCYRLYSESDYNAFASYPVPEIHRVALDSLVLQMKSMDLGDPLSFVFIDPPPTASIQTAVTYLKEQGALDSRGELTSIGKLLAQLPVDVVIGKMLVLGSLFNLVEPVLTIAAALSVQSPFLRSSQQNPDCKTSCQPLHSNQGDPFTLLNTFNAWVEVKGERGGGSRKWCRRRGLEEQRLYEMVNLRRQFKNLLRSHGLVESEDRAPSSGDREQRRERFTERKKLHQLKRDHEQQEGTKRKVLRLEEGQDGEFSSGSDSEDRGKRRKSKEGQGKEVDIQEVKFKLRHNVSELQEAVGASQELSSRHQALLKLLLCRGLYPQLALPDEHNTTRKDSDQVFHTRNKQGVVMHPTSVFASDPEVLHVPEDEPRETGPDRRDSSRHQLLAFVTLLETNKPYLSNCVRVPALQALLLVANSVDTNADCTRLVVDGWLELEVREPEEALRVLSKALSLRTEWERLLKVQLGQSTTSGQGVSRRDMEKLSDGLVRFLLYTEVSYSLQRLTALQTQNLYVGPQADPDSVYSELPDLSLLFPGAETKPDPIKGGLRVTSFFTYNCLTDSKDLYSECLRTFWSCPNCDLYMPLTPLERMHHEASCRPAGERQEAEEESGDGKSGSSAKSSLTRVYHCDVCDEDLKLTSTEILKHKRQHMFSAK
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.7	Very low	40	Very low	245 Å²	245	176 Å²	176	100%	1.207	87%	0.867	S	S	*	*				0	107	0	-84.2	-179.2	171.7	0	0	107.4
2	D	37.6	Very low	42.6	Very low	159 Å²	159	164.3 Å²	164.3	85%	0.85	81%	0.806	S	S	*	*			trans	-56	136.5	178.6	-64.8	-67.7	0	0	0	113
3	R	37.2	Very low	45.1	Very low	244 Å²	244	158.6 Å²	158.6	92%	0.921	78%	0.781	S	S	*	*			trans	166.9	86.6	142	-92.9	164.8	-172.3	-156.4	3.9	108.7
4	D	36.5	Very low	47.2	Very low	161 Å²	161	149.7 Å²	149.7	86%	0.861	74%	0.735	S	S	*	*				-176.5	138.3	127.1	-124	-23.3	0	0	0	111.3
5	R	32.9	Very low	48.4	Very low	239 Å²	239	143.2 Å²	143.2	90%	0.902	72%	0.721	S	S	*	*			trans	123.5	56.1	172.4	-69	172.6	-178	-162.2	2.3	114.4	R7	R5-R7 PolarHBondContact O-N 3.45Å
6	S	36.6	Very low	50.3	Low	121 Å²	121	135.7 Å²	135.7	85%	0.846	69%	0.686	S	S	*	*			trans	-82.7	88.4	145.5	64.3	0	0	0	0	109
7	R	35	Very low	51.6	Low	240 Å²	240	133.9 Å²	133.9	91%	0.906	69%	0.686	S	S	*	*			trans	-117.9	87.3	155	-89.9	-173.4	174	179.7	-1	106.5	R5 G9	R5-R7 PolarHBondContact O-N 3.45Å; R7-G9 PolarHBondContact O-N 3.41Å
8	D	38.5	Very low	52.8	Low	172 Å²	172	134.8 Å²	134.8	92%	0.92	69%	0.687	S	S	*	*			trans	-63	86.4	158.8	-93.5	-23.8	0	0	0	107.6	R10	D8-R10 PolarHBondContact O-N 3.33Å
9	G	40.8	Very low	54.1	Low	63 Å²	63	129.3 Å²	129.3	65%	0.649	66%	0.659	S	S	*	*			trans	-73.2	117.9	166.4	0	0	0	0	0	107.9	R7 S11	R7-G9 PolarHBondContact O-N 3.41Å; G9-S11 PolarHBondContact O-N 3.04Å
10	R	52.8	Low	55.4	Low	176 Å²	176	125.5 Å²	125.5	66%	0.664	64%	0.636	S	S	*	*			trans	-52.6	102.5	163.1	-83.2	-179.7	174.7	174.4	-1	107.9	D8 W12 S118	D8-R10 PolarHBondContact O-N 3.33Å; R10-W12 PolarHBondContact O-N 2.79Å; R10-S118 PolarHBondContact NH1-OG 3.3Å; R10-S118 VanDerWaalsContact NH1-OG 3.08Å; R10-S118 PolarHBondContact NH2-OG 3.49Å; R10-S118 VanDerWaalsContact NH2-OG 3.17Å
11	S	57.4	Low	56.4	Low	116 Å²	116	121.6 Å²	121.6	81%	0.811	62%	0.623	S	S	*	*			trans	-77.6	105.3	171.4	170.9	0	0	0	0	108	G9 D13	G9-S11 PolarHBondContact O-N 3.04Å; S11-D13 PolarHBondContact O-N 3.18Å
12	W	71.3	Confident	58.3	Low	35 Å²	35	112 Å²	112	13%	0.133	58%	0.576	C	S	.	*			trans	-67	119.1	173.8	-176.2	-93.4	0	0	0	110.9	R10 W14 N19 M23 P121 E125	R10-W12 PolarHBondContact O-N 2.79Å; W12-W14 AromaticContact CD1-CD2 3.45Å; W12-W14 VanDerWaalsContact CD1-CD2 3.45Å; W12-W14 AromaticContact CD1-CE2 3.42Å; W12-W14 VanDerWaalsContact CD1-CE2 3.42Å; W12-W14 AromaticContact CD1-CE3 3.79Å; W12-W14 AromaticContact CD1-CG 3.88Å; W12-W14 AromaticContact CD1-CZ2 3.78Å; W12-W14 AromaticContact CD1-NE1 3.76Å; W12-W14 AromaticContact NE1-CD2 3.85Å; W12-W14 AromaticContact NE1-CE3 3.68Å; W12-W14 AromaticContact NE1-CZ3 3.81Å; W12-W14 PolarHBondContact O-N 3.13Å; W12-N19 HydrophobicContact CH2-CB 4.11Å; W12-N19 HydrophobicContact CZ2-CB 3.45Å; W12-N19 VanDerWaalsContact CZ2-CB 3.45Å; W12-M23 HydrophobicContact CZ2-CE 4.12Å; W12-P121 HydrophobicContact CH2-CB 3.6Å; W12-P121 HydrophobicContact CH2-CG 4.3Å; W12-P121 HydrophobicContact CZ2-CB 3.92Å; W12-P121 HydrophobicContact CZ3-CB 3.97Å; W12-E125 HydrophobicContact CB-CG 3.49Å; W12-E125 VanDerWaalsContact CB-CG 3.49Å; W12-E125 HydrophobicContact CD2-CG 4.01Å; W12-E125 HydrophobicContact CG-CB 4.43Å; W12-E125 HydrophobicContact CG-CG 3.58Å
13	D	74.4	Confident	60.1	Low	91 Å²	91	104.5 Å²	104.5	49%	0.487	54%	0.535	S	S	.	.			trans	-80.7	101.5	176.9	179.7	17	0	0	0	110.8	S11 G15 S16 N19	S11-D13 PolarHBondContact O-N 3.18Å; D13-G15 PolarHBondContact O-N 2.75Å; D13-G15 WeakPolarHBondContact OD1-CA 3.49Å; D13-G15 PolarHBondContact OD1-N 2.86Å; D13-S16 PolarHBondContact O-N 3.02Å; D13-N19 WeakPolarHBondContact O-CB 3.33Å; D13-N19 PolarHBondContact O-ND2 3.26Å
14	W	74.9	Confident	62.2	Low	34 Å²	34	94.3 Å²	94.3	13%	0.129	50%	0.499	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-10.3	175.4	-63.9	98.9	0	0	0	113.8	W12 R20 M23 W45 F48 Q52 E125 C129	W12-W14 AromaticContact CD1-CD2 3.45Å; W12-W14 VanDerWaalsContact CD1-CD2 3.45Å; W12-W14 AromaticContact CD1-CE2 3.42Å; W12-W14 VanDerWaalsContact CD1-CE2 3.42Å; W12-W14 AromaticContact CD1-CE3 3.79Å; W12-W14 AromaticContact CD1-CG 3.88Å; W12-W14 AromaticContact CD1-CZ2 3.78Å; W12-W14 AromaticContact CD1-NE1 3.76Å; W12-W14 AromaticContact NE1-CD2 3.85Å; W12-W14 AromaticContact NE1-CE3 3.68Å; W12-W14 AromaticContact NE1-CZ3 3.81Å; W12-W14 PolarHBondContact O-N 3.13Å; W14-R20 PolarHBondContact O-NE 2.79Å; W14-R20 PolarHBondContact O-NH2 2.77Å; W14-M23 HydrophobicContact CZ3-CG 4.14Å; W14-M23 HydrophobicContact CZ3-SD 4.34Å; W14-W45 HydrophobicContact CE3-CZ3 4.45Å; W14-F48 HydrophobicContact CB-CE1 4.31Å; W14-F48 AromaticContact CD2-CE1 3.63Å; W14-F48 HydrophobicContact CD2-CE1 3.63Å; W14-F48 AromaticContact CD2-CZ 3.74Å; W14-F48 HydrophobicContact CD2-CZ 3.74Å; W14-F48 AromaticContact CE3-CE1 3.37Å; W14-F48 HydrophobicContact CE3-CE1 3.37Å; W14-F48 AromaticContact CE3-CZ 3.43Å; W14-F48 HydrophobicContact CE3-CZ 3.43Å; W14-F48 VanDerWaalsContact CE3-CZ 3.43Å; W14-F48 HydrophobicContact CG-CE1 4.07Å; W14-F48 AromaticContact CH2-CZ 3.84Å; W14-F48 HydrophobicContact CH2-CZ 3.84Å; W14-F48 HydrophobicContact CZ2-CZ 4.12Å; W14-F48 AromaticContact CZ3-CE1 3.92Å; W14-F48 HydrophobicContact CZ3-CE1 3.92Å; W14-F48 HydrophobicContact CZ3-CE2 4.39Å; W14-F48 AromaticContact CZ3-CZ 3.49Å; W14-F48 HydrophobicContact CZ3-CZ 3.49Å; W14-F48 VanDerWaalsContact CZ3-CZ 3.49Å; W14-Q52 VanDerWaalsContact CD2-NE2 3.32Å; W14-Q52 VanDerWaalsContact CE2-NE2 3.3Å; W14-Q52 VanDerWaalsContact NE1-NE2 3.12Å; W14-E125 HydrophobicContact CH2-CB 3.9Å; W14-E125 HydrophobicContact CH2-CG 4.49Å; W14-E125 WeakPolarHBondContact CH2-O 3.33Å; W14-E125 HydrophobicContact CZ2-CB 3.84Å; W14-E125 HydrophobicContact CZ2-CG 3.98Å; W14-C129 HydrophobicContact CH2-CB 4.23Å; W14-C129 HydrophobicContact CZ3-CB 4.41Å
15	G	65.9	Low	63.9	Low	52 Å²	52	93.5 Å²	93.5	54%	0.536	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-18.2	174.9	0	0	0	0	0	114	D13	D13-G15 PolarHBondContact O-N 2.75Å; D13-G15 WeakPolarHBondContact OD1-CA 3.49Å; D13-G15 PolarHBondContact OD1-N 2.86Å
16	S	77.6	Confident	65.9	Low	23 Å²	23	83 Å²	83	16%	0.161	45%	0.452	C	S	.	.			trans	-73.4	126.2	-179.1	173.6	0	0	0	0	112.2	D13 Q18 N19 R20	D13-S16 PolarHBondContact O-N 3.02Å; S16-Q18 PolarHBondContact O-N 3.08Å; S16-Q18 PolarHBondContact OG-N 3.23Å; S16-N19 PolarHBondContact O-N 2.95Å; S16-R20 PolarHBondContact O-N 3.23Å; S16-R20 VanDerWaalsContact O-N 3.15Å
17	P	73.8	Confident	67.6	Low	105 Å²	105	77.4 Å²	77.4	68%	0.682	41%	0.412	S	S	*	.	H	α-helix	trans	-59.6	-33.6	175.8	-23.9	33.4	0	0	0	113.4	R20 A21	P17-R20 PolarHBondContact O-N 2.88Å; P17-A21 WeakPolarHBondContact O-CB 3.28Å; P17-A21 PolarHBondContact O-N 3.06Å
18	Q	72.4	Confident	69.7	Low	151 Å²	151	66.2 Å²	66.2	71%	0.706	37%	0.37	S	S	*	.	H	α-helix	trans	-67.6	-38.2	179.5	-66.8	172.2	-5.8	0	0	111.2	S16 A21 Q22	S16-Q18 PolarHBondContact O-N 3.08Å; S16-Q18 PolarHBondContact OG-N 3.23Å; Q18-A21 PolarHBondContact O-N 3.27Å; Q18-Q22 WeakPolarHBondContact O-CG 3.47Å; Q18-Q22 PolarHBondContact O-N 2.84Å
19	N	77.4	Confident	71.5	Confident	29 Å²	29	61.8 Å²	61.8	16%	0.155	34%	0.34	C	S	.	.	H	α-helix	trans	-72.8	-35.2	178.1	-71.1	-7	0	0	0	112.1	W12 D13 S16 Q22 M23	W12-N19 HydrophobicContact CH2-CB 4.11Å; W12-N19 HydrophobicContact CZ2-CB 3.45Å; W12-N19 VanDerWaalsContact CZ2-CB 3.45Å; D13-N19 WeakPolarHBondContact O-CB 3.33Å; D13-N19 PolarHBondContact O-ND2 3.26Å; S16-N19 PolarHBondContact O-N 2.95Å; N19-Q22 PolarHBondContact O-N 3.34Å; N19-M23 PolarHBondContact O-N 3.33Å
20	R	79.9	Confident	72.8	Confident	53 Å²	53	67.1 Å²	67.1	20%	0.2	35%	0.349	C	S	.	.	H	α-helix	trans	-68.4	-39.9	172.7	-68.1	-170.3	-175.3	-160.2	-5.2	112.1	W14 S16 P17 Q22 M23 D24 W45 D49	W14-R20 PolarHBondContact O-NE 2.79Å; W14-R20 PolarHBondContact O-NH2 2.77Å; S16-R20 PolarHBondContact O-N 3.23Å; S16-R20 VanDerWaalsContact O-N 3.15Å; P17-R20 PolarHBondContact O-N 2.88Å; R20-Q22 VanDerWaalsContact C-N 3.26Å; R20-Q22 PolarHBondContact O-N 3.19Å; R20-M23 CarbonylContact O-C 3.52Å; R20-M23 WeakPolarHBondContact O-CA 3.35Å; R20-M23 WeakPolarHBondContact O-CB 3.46Å; R20-M23 PolarHBondContact O-N 3.23Å; R20-D24 VanDerWaalsContact O-CG 3.23Å; R20-D24 PolarHBondContact O-N 3.4Å; R20-W45 HydrophobicContact CB-CH2 4.13Å; R20-W45 HydrophobicContact CB-CZ2 3.91Å; R20-W45 HydrophobicContact CG-CD2 4.47Å; R20-W45 HydrophobicContact CG-CE3 4.24Å; R20-W45 HydrophobicContact CG-CH2 3.84Å; R20-W45 HydrophobicContact CG-CZ2 4.06Å; R20-W45 HydrophobicContact CG-CZ3 3.93Å; R20-D49 IonicContact CZ-OD1 2.77Å; R20-D49 IonicContact NH1-OD1 3.71Å; R20-D49 IonicContact NH1-OD2 3.76Å; R20-D49 IonicContact NH2-OD1 3.83Å; R20-D49 PolarHBondContact NH2-OD1 2.87Å; R20-D49 IonicContact NH2-OD2 2.66Å
21	A	76.3	Confident	73.4	Confident	44 Å²	44	67.8 Å²	67.8	36%	0.364	36%	0.359	S	S	.	.	H	α-helix	trans	-58.4	-39.5	175.1	0	0	0	0	0	112	P17 Q18 M23 D24 E25	P17-A21 WeakPolarHBondContact O-CB 3.28Å; P17-A21 PolarHBondContact O-N 3.06Å; Q18-A21 PolarHBondContact O-N 3.27Å; A21-M23 VanDerWaalsContact C-N 3.33Å; A21-M23 PolarHBondContact O-N 3.25Å; A21-D24 WeakPolarHBondContact O-CB 3.21Å; A21-D24 PolarHBondContact O-N 3.45Å; A21-E25 PolarHBondContact O-N 3.39Å
22	Q	74.8	Confident	73.9	Confident	45 Å²	45	64.7 Å²	64.7	21%	0.21	33%	0.334	C	S	.	.	H	α-helix	trans	-66.5	-32.1	174.2	-68.7	179.4	4.8	0	0	113.3	Q18 N19 R20 I26 S119	Q18-Q22 WeakPolarHBondContact O-CG 3.47Å; Q18-Q22 PolarHBondContact O-N 2.84Å; N19-Q22 PolarHBondContact O-N 3.34Å; R20-Q22 VanDerWaalsContact C-N 3.26Å; R20-Q22 PolarHBondContact O-N 3.19Å; Q22-I26 WeakPolarHBondContact O-CD1 3.42Å; Q22-I26 VanDerWaalsContact O-CG1 3.29Å; Q22-I26 WeakPolarHBondContact O-CG1 3.45Å; Q22-S119 PolarHBondContact NE2-O 2.8Å; Q22-S119 PolarHBondContact OE1-O 3.27Å
23	M	76.4	Confident	73.7	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-71.8	-34.1	171.6	-72.1	-70.6	133	0	0	112	W12 W14 N19 R20 A21 I26 F27 W45 P121 E125 V126 C129	W12-M23 HydrophobicContact CZ2-CE 4.12Å; W14-M23 HydrophobicContact CZ3-CG 4.14Å; W14-M23 HydrophobicContact CZ3-SD 4.34Å; N19-M23 PolarHBondContact O-N 3.33Å; R20-M23 CarbonylContact O-C 3.52Å; R20-M23 WeakPolarHBondContact O-CA 3.35Å; R20-M23 WeakPolarHBondContact O-CB 3.46Å; R20-M23 PolarHBondContact O-N 3.23Å; A21-M23 VanDerWaalsContact C-N 3.33Å; A21-M23 PolarHBondContact O-N 3.25Å; M23-I26 HydrophobicContact CE-CD1 4.39Å; M23-I26 PolarHBondContact O-N 3.25Å; M23-I26 VanDerWaalsContact O-N 3.11Å; M23-F27 PolarHBondContact O-N 2.79Å; M23-F27 HydrophobicContact SD-CD2 4.19Å; M23-F27 HydrophobicContact SD-CE2 3.98Å; M23-W45 HydrophobicContact CB-CH2 3.76Å; M23-W45 HydrophobicContact CB-CZ2 3.84Å; M23-W45 HydrophobicContact CG-CH2 4.12Å; M23-P121 HydrophobicContact CE-CB 3.05Å; M23-P121 HydrophobicContact CE-CG 3.47Å; M23-P121 VanDerWaalsContact CE-CG 3.47Å; M23-E125 HydrophobicContact CE-CB 4.49Å; M23-V126 HydrophobicContact CE-CG2 4.15Å; M23-C129 HydrophobicContact SD-CB 3.81Å
24	D	79.8	Confident	73.7	Confident	30 Å²	30	66.8 Å²	66.8	16%	0.16	34%	0.336	C	S	.	.	H	α-helix	trans	-65.7	-38.7	177.4	-65.7	-18.4	0	0	0	112.2	R20 A21 I26 F28 A36 H41 W45	R20-D24 VanDerWaalsContact O-CG 3.23Å; R20-D24 PolarHBondContact O-N 3.4Å; A21-D24 WeakPolarHBondContact O-CB 3.21Å; A21-D24 PolarHBondContact O-N 3.45Å; D24-I26 PolarHBondContact O-N 2.88Å; D24-F28 HydrophobicContact CB-CD2 4.48Å; D24-F28 CarbonylContact O-C 3.6Å; D24-F28 WeakPolarHBondContact O-CA 3.38Å; D24-F28 PolarHBondContact O-N 2.82Å; D24-F28 VanDerWaalsContact OD1-CD2 3.28Å; D24-F28 WeakPolarHBondContact OD1-CD2 3.46Å; D24-A36 HydrophobicContact CB-CB 4.28Å; D24-H41 IonicContact OD1-CD2 3.53Å; D24-H41 IonicContact OD1-CE1 2.57Å; D24-H41 IonicContact OD1-NE2 2.7Å; D24-H41 PolarHBondContact OD1-NE2 3.04Å; D24-H41 IonicContact OD2-CE1 3.26Å; D24-H41 PolarHBondContact OD2-CE1 2.9Å; D24-H41 IonicContact OD2-NE2 3.84Å; D24-H41 PolarHBondContact OD2-NE2 3.2Å; D24-W45 WeakPolarHBondContact OD1-CZ2 3.45Å; D24-W45 PolarHBondContact OD1-NE1 3.35Å
25	E	74.1	Confident	73.8	Confident	144 Å²	144	70.2 Å²	70.2	67%	0.673	35%	0.354	S	S	*	.	H	α-helix	trans	-63.3	-23.3	171.7	-70.8	176.4	-172.9	0	0	113.4	A21 R29	A21-E25 PolarHBondContact O-N 3.39Å; E25-R29 WeakPolarHBondContact O-CG 2.97Å; E25-R29 PolarHBondContact O-NE 3.5Å
26	I	72.9	Confident	74.2	Confident	19 Å²	19	70.3 Å²	70.3	10%	0.097	35%	0.35	C	S	.	.	H	α-helix	trans	-91.1	-48.3	-177.5	-66.2	172.9	0	0	0	112	Q22 M23 D24 T100 I103 P121 V126	Q22-I26 WeakPolarHBondContact O-CD1 3.42Å; Q22-I26 VanDerWaalsContact O-CG1 3.29Å; Q22-I26 WeakPolarHBondContact O-CG1 3.45Å; M23-I26 HydrophobicContact CE-CD1 4.39Å; M23-I26 PolarHBondContact O-N 3.25Å; M23-I26 VanDerWaalsContact O-N 3.11Å; D24-I26 PolarHBondContact O-N 2.88Å; I26-T100 HydrophobicContact CG2-CG2 4.34Å; I26-I103 HydrophobicContact CB-CD1 3.82Å; I26-I103 HydrophobicContact CG1-CD1 3.7Å; I26-I103 HydrophobicContact CG2-CD1 3.53Å; I26-P121 HydrophobicContact CD1-CG 3.72Å; I26-V126 HydrophobicContact CD1-CG2 4.31Å
27	F	73	Confident	73.7	Confident	4 Å²	4	71.8 Å²	71.8	2%	0.018	37%	0.368	C	S	.	.	H	α-helix	trans	-110.6	-13.5	-167.2	-71	-71.7	0	0	0	115	M23 V98 T100 V126 C129 R130 L133	M23-F27 PolarHBondContact O-N 2.79Å; M23-F27 HydrophobicContact SD-CD2 4.19Å; M23-F27 HydrophobicContact SD-CE2 3.98Å; F27-V98 HydrophobicContact CD1-CG1 3.7Å; F27-V98 HydrophobicContact CE1-CG1 3.86Å; F27-T100 HydrophobicContact CE1-CG2 3.87Å; F27-T100 HydrophobicContact CZ-CG2 4.36Å; F27-V126 HydrophobicContact CE2-CG1 4.09Å; F27-V126 HydrophobicContact CZ-CG1 3.69Å; F27-V126 VanDerWaalsContact CZ-O 3.31Å; F27-V126 WeakPolarHBondContact CZ-O 3.41Å; F27-C129 HydrophobicContact CD2-CB 4.23Å; F27-C129 HydrophobicContact CE2-CB 3.76Å; F27-C129 HydrophobicContact CZ-CB 4.39Å; F27-R130 HydrophobicContact CE1-CB 3.8Å; F27-R130 HydrophobicContact CE1-CG 4.25Å; F27-R130 HydrophobicContact CZ-CB 3.85Å; F27-L133 HydrophobicContact CB-CD2 4.24Å; F27-L133 HydrophobicContact CD1-CD2 3.98Å; F27-L133 HydrophobicContact CG-CD2 4.4Å
28	F	79.6	Confident	73.7	Confident	4 Å²	4	68.4 Å²	68.4	2%	0.018	35%	0.347	C	S	.	.			trans	-130.1	42.3	-169.9	-58.8	-65.9	0	0	0	112	D24 I34 A36 H41 F44 W45 L133	D24-F28 HydrophobicContact CB-CD2 4.48Å; D24-F28 CarbonylContact O-C 3.6Å; D24-F28 WeakPolarHBondContact O-CA 3.38Å; D24-F28 PolarHBondContact O-N 2.82Å; D24-F28 VanDerWaalsContact OD1-CD2 3.28Å; D24-F28 WeakPolarHBondContact OD1-CD2 3.46Å; F28-I34 WeakPolarHBondContact CA-O 3.26Å; F28-I34 HydrophobicContact CD1-CB 3.69Å; F28-I34 HydrophobicContact CD1-CG2 3.51Å; F28-I34 WeakPolarHBondContact CD1-O 3.43Å; F28-I34 HydrophobicContact CE1-CB 3.8Å; F28-I34 HydrophobicContact CE1-CD1 4.28Å; F28-I34 HydrophobicContact CE1-CG2 3.62Å; F28-A36 HydrophobicContact CB-CB 4.03Å; F28-A36 WeakPolarHBondContact O-CB 3.32Å; F28-A36 PolarHBondContact O-N 3.3Å; F28-H41 AromaticContact CD1-CD2 3.85Å; F28-H41 AromaticContact CD2-CD2 3.52Å; F28-H41 AromaticContact CD2-NE2 3.68Å; F28-H41 AromaticContact CE2-CD2 3.97Å; F28-H41 AromaticContact CG-CD2 3.48Å; F28-H41 VanDerWaalsContact CG-CD2 3.48Å; F28-H41 WeakPolarHBondContact CG-CD2 3.45Å; F28-H41 AromaticContact CG-NE2 3.98Å; F28-F44 HydrophobicContact CE1-CD1 4.21Å; F28-F44 HydrophobicContact CE1-CG 4.32Å; F28-F44 AromaticContact CE2-CD1 3.62Å; F28-F44 HydrophobicContact CE2-CD1 3.62Å; F28-F44 AromaticContact CE2-CE1 3.57Å; F28-F44 HydrophobicContact CE2-CE1 3.57Å; F28-F44 HydrophobicContact CE2-CG 4.48Å; F28-F44 HydrophobicContact CE2-CZ 4.43Å; F28-F44 HydrophobicContact CZ-CB 4.37Å; F28-F44 AromaticContact CZ-CD1 3.19Å; F28-F44 HydrophobicContact CZ-CD1 3.19Å; F28-F44 HydrophobicContact CZ-CD2 4.24Å; F28-F44 AromaticContact CZ-CE1 3.39Å; F28-F44 HydrophobicContact CZ-CE1 3.39Å; F28-F44 HydrophobicContact CZ-CE2 4.41Å; F28-F44 AromaticContact CZ-CG 3.64Å; F28-F44 HydrophobicContact CZ-CG 3.64Å; F28-F44 HydrophobicContact CZ-CZ 4Å; F28-W45 HydrophobicContact CE2-CZ2 4.46Å; F28-L133 HydrophobicContact CE1-CD1 3.8Å; F28-L133 HydrophobicContact CZ-CD1 3.89Å
29	R	77.1	Confident	73.6	Confident	79 Å²	79	65.1 Å²	65.1	30%	0.298	34%	0.338	S	S	.	.			trans	-69.1	166.3	178.7	-54.7	168.7	178.6	-179.1	-0.4	110.5	E25 Q31 D32 D102 I103	E25-R29 WeakPolarHBondContact O-CG 2.97Å; E25-R29 PolarHBondContact O-NE 3.5Å; R29-Q31 PolarHBondContact O-N 2.79Å; R29-D32 WeakPolarHBondContact CB-OD2 3.36Å; R29-D32 VanDerWaalsContact CG-OD2 3.31Å; R29-D32 WeakPolarHBondContact CG-OD2 3.4Å; R29-D32 PolarHBondContact N-OD2 2.91Å; R29-D32 PolarHBondContact O-N 3.33Å; R29-D102 IonicContact CZ-OD2 3.56Å; R29-D102 IonicContact NH1-OD2 3.59Å; R29-D102 PolarHBondContact NH1-OD2 3.34Å; R29-D102 IonicContact NH2-OD2 2.68Å; R29-D102 PolarHBondContact NH2-OD2 3.03Å; R29-I103 VanDerWaalsContact NH2-CG1 3.33Å
30	E	67.1	Low	73.3	Confident	176 Å²	176	67.8 Å²	67.8	82%	0.822	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-25	177.2	-66.4	-170.7	160.3	0	0	113.6	Q35	E30-Q35 PolarHBondContact O-NE2 3.27Å
31	Q	65.1	Low	73.3	Confident	190 Å²	190	66 Å²	66	89%	0.888	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-8.8	-179.4	-60.2	178.1	7.2	0	0	113.5	R29	R29-Q31 PolarHBondContact O-N 2.79Å
32	D	69.1	Low	73.4	Confident	51 Å²	51	70.8 Å²	70.8	27%	0.273	36%	0.355	S	S	.	.	S	Bend	trans	-85	157.4	-177.7	-68.2	-43	0	0	0	111.8	R29 I34	R29-D32 WeakPolarHBondContact CB-OD2 3.36Å; R29-D32 VanDerWaalsContact CG-OD2 3.31Å; R29-D32 WeakPolarHBondContact CG-OD2 3.4Å; R29-D32 PolarHBondContact N-OD2 2.91Å; R29-D32 PolarHBondContact O-N 3.33Å; D32-I34 VanDerWaalsContact C-N 3.26Å; D32-I34 PolarHBondContact O-N 3.19Å
33	Y	66.3	Low	73.6	Confident	163 Å²	163	74.1 Å²	74.1	64%	0.639	37%	0.371	S	S	*	.	S	Bend	trans	-59	-35.7	-176.7	-179.2	-99.9	0	0	0	113	L137	Y33-L137 HydrophobicContact CD1-CD2 3.92Å; Y33-L137 HydrophobicContact CE1-CD2 3.99Å
34	I	74.3	Confident	73.9	Confident	7 Å²	7	74.1 Å²	74.1	4%	0.036	37%	0.371	C	S	.	.	S	Bend	trans	-109.7	123.5	170.5	-62.8	168.1	0	0	0	106.8	F28 D32 E40 H41 L133 F136 L137	F28-I34 WeakPolarHBondContact CA-O 3.26Å; F28-I34 HydrophobicContact CD1-CB 3.69Å; F28-I34 HydrophobicContact CD1-CG2 3.51Å; F28-I34 WeakPolarHBondContact CD1-O 3.43Å; F28-I34 HydrophobicContact CE1-CB 3.8Å; F28-I34 HydrophobicContact CE1-CD1 4.28Å; F28-I34 HydrophobicContact CE1-CG2 3.62Å; D32-I34 VanDerWaalsContact C-N 3.26Å; D32-I34 PolarHBondContact O-N 3.19Å; I34-E40 HydrophobicContact CG1-CB 4.39Å; I34-E40 HydrophobicContact CG2-CB 4.19Å; I34-H41 HydrophobicContact CG2-CB 3.87Å; I34-L133 HydrophobicContact CD1-CD1 3.97Å; I34-F136 HydrophobicContact CD1-CD1 3.92Å; I34-F136 HydrophobicContact CD1-CE1 3.7Å; I34-L137 HydrophobicContact CD1-CD2 3.97Å
35	Q	77.3	Confident	74	Confident	106 Å²	106	73.4 Å²	73.4	50%	0.495	37%	0.366	S	S	.	.			trans	-95.7	142.3	179.9	-65.1	176.9	-14.3	0	0	110.9	E30 G37 S38 H41	E30-Q35 PolarHBondContact O-NE2 3.27Å; Q35-G37 PolarHBondContact O-N 3.36Å; Q35-S38 WeakPolarHBondContact O-CB 3.43Å; Q35-S38 PolarHBondContact O-N 3.29Å; Q35-S38 VanDerWaalsContact O-N 3.09Å; Q35-S38 PolarHBondContact O-OG 2.96Å; Q35-H41 WeakPolarHBondContact O-CB 3.44Å
36	A	74.8	Confident	74.3	Confident	54 Å²	54	68.9 Å²	68.9	45%	0.446	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	131.2	175.9	0	0	0	0	0	111.1	D24 F28 S38	D24-A36 HydrophobicContact CB-CB 4.28Å; F28-A36 HydrophobicContact CB-CB 4.03Å; F28-A36 WeakPolarHBondContact O-CB 3.32Å; F28-A36 PolarHBondContact O-N 3.3Å; A36-S38 VanDerWaalsContact C-N 3.33Å; A36-S38 PolarHBondContact O-N 3.5Å
37	G	67.4	Low	74.6	Confident	54 Å²	54	69.8 Å²	69.8	56%	0.557	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.2	-6.9	-178.2	0	0	0	0	0	115.8	Q35 H41	Q35-G37 PolarHBondContact O-N 3.36Å; G37-H41 PolarHBondContact N-ND1 2.9Å; G37-H41 VanDerWaalsContact N-ND1 3.13Å
38	S	72.8	Confident	74.9	Confident	33 Å²	33	69.7 Å²	69.7	23%	0.231	36%	0.356	C	S	.	.	S	Bend	trans	-64.5	165.9	170.6	66.9	0	0	0	0	112.4	Q35 A36 E40 H41 K42	Q35-S38 WeakPolarHBondContact O-CB 3.43Å; Q35-S38 PolarHBondContact O-N 3.29Å; Q35-S38 VanDerWaalsContact O-N 3.09Å; Q35-S38 PolarHBondContact O-OG 2.96Å; A36-S38 VanDerWaalsContact C-N 3.33Å; A36-S38 PolarHBondContact O-N 3.5Å; S38-E40 VanDerWaalsContact C-N 3.33Å; S38-H41 WeakPolarHBondContact O-CB 3.47Å; S38-H41 PolarHBondContact O-N 2.83Å; S38-H41 VanDerWaalsContact OG-CB 3.29Å; S38-H41 WeakPolarHBondContact OG-CB 3.34Å; S38-H41 PolarHBondContact OG-N 3.25Å; S38-H41 VanDerWaalsContact OG-N 3.12Å; S38-K42 PolarHBondContact O-N 3.48Å
39	T	70.9	Confident	74.8	Confident	83 Å²	83	72 Å²	72	51%	0.509	37%	0.368	S	S	.	.	H	α-helix	trans	-62	-42.8	173.4	46	0	0	0	0	111.4	H41 K42 E43	T39-H41 VanDerWaalsContact C-N 3.29Å; T39-H41 PolarHBondContact O-N 3.36Å; T39-K42 PolarHBondContact O-N 3.49Å; T39-E43 WeakPolarHBondContact O-CG 3.05Å; T39-E43 PolarHBondContact O-N 2.96Å
40	E	71.2	Confident	74.8	Confident	85 Å²	85	77 Å²	77	40%	0.397	39%	0.387	S	S	.	.	H	α-helix	trans	-64.1	-33.2	178.6	-65.7	164.9	176.1	0	0	112	I34 S38 E43 F44	I34-E40 HydrophobicContact CG1-CB 4.39Å; I34-E40 HydrophobicContact CG2-CB 4.19Å; S38-E40 VanDerWaalsContact C-N 3.33Å; E40-E43 PolarHBondContact O-N 3.18Å; E40-F44 WeakPolarHBondContact O-CB 3.05Å; E40-F44 PolarHBondContact O-N 3.04Å
41	H	80	Confident	75.2	Confident	14 Å²	14	70.2 Å²	70.2	7%	0.065	36%	0.355	C	S	.	.	H	α-helix	trans	-64.3	-42.6	172.5	175.7	-107.5	0	0	0	112.8	D24 F28 I34 Q35 G37 S38 T39 F44 W45	D24-H41 IonicContact OD1-CD2 3.53Å; D24-H41 IonicContact OD1-CE1 2.57Å; D24-H41 IonicContact OD1-NE2 2.7Å; D24-H41 PolarHBondContact OD1-NE2 3.04Å; D24-H41 IonicContact OD2-CE1 3.26Å; D24-H41 PolarHBondContact OD2-CE1 2.9Å; D24-H41 IonicContact OD2-NE2 3.84Å; D24-H41 PolarHBondContact OD2-NE2 3.2Å; F28-H41 AromaticContact CD1-CD2 3.85Å; F28-H41 AromaticContact CD2-CD2 3.52Å; F28-H41 AromaticContact CD2-NE2 3.68Å; F28-H41 AromaticContact CE2-CD2 3.97Å; F28-H41 AromaticContact CG-CD2 3.48Å; F28-H41 VanDerWaalsContact CG-CD2 3.48Å; F28-H41 WeakPolarHBondContact CG-CD2 3.45Å; F28-H41 AromaticContact CG-NE2 3.98Å; I34-H41 HydrophobicContact CG2-CB 3.87Å; Q35-H41 WeakPolarHBondContact O-CB 3.44Å; G37-H41 PolarHBondContact N-ND1 2.9Å; G37-H41 VanDerWaalsContact N-ND1 3.13Å; S38-H41 WeakPolarHBondContact O-CB 3.47Å; S38-H41 PolarHBondContact O-N 2.83Å; S38-H41 VanDerWaalsContact OG-CB 3.29Å; S38-H41 WeakPolarHBondContact OG-CB 3.34Å; S38-H41 PolarHBondContact OG-N 3.25Å; S38-H41 VanDerWaalsContact OG-N 3.12Å; T39-H41 VanDerWaalsContact C-N 3.29Å; T39-H41 PolarHBondContact O-N 3.36Å; H41-F44 WeakPolarHBondContact O-CB 3.42Å; H41-F44 PolarHBondContact O-N 3.09Å; H41-W45 AromaticContact CD2-NE1 3.84Å; H41-W45 AromaticContact CE1-CD1 3.63Å; H41-W45 AromaticContact CE1-NE1 3.5Å; H41-W45 AromaticContact NE2-CD1 3.58Å; H41-W45 AromaticContact NE2-NE1 3.13Å; H41-W45 PolarHBondContact NE2-NE1 3.46Å; H41-W45 VanDerWaalsContact NE2-NE1 3.13Å; H41-W45 PolarHBondContact O-N 3.03Å; H41-W45 VanDerWaalsContact O-N 3.14Å
42	K	77.9	Confident	75.6	Confident	145 Å²	145	63.8 Å²	63.8	63%	0.63	33%	0.325	S	S	*	.	H	α-helix	trans	-66.7	-39.6	174.5	-65.9	176.7	-176	174.3	0	111.7	S38 T39 F44 W45 A46	S38-K42 PolarHBondContact O-N 3.48Å; T39-K42 PolarHBondContact O-N 3.49Å; K42-F44 VanDerWaalsContact C-N 3.34Å; K42-W45 PolarHBondContact O-N 2.74Å; K42-A46 PolarHBondContact O-N 3Å; K42-A46 VanDerWaalsContact O-N 3.09Å
43	E	78.6	Confident	75.8	Confident	115 Å²	115	70.2 Å²	70.2	54%	0.537	35%	0.346	S	S	.	.	H	α-helix	trans	-64.4	-39.1	175.3	-71.8	-176.4	175	0	0	112	T39 E40 A46 F47 F136	T39-E43 WeakPolarHBondContact O-CG 3.05Å; T39-E43 PolarHBondContact O-N 2.96Å; E40-E43 PolarHBondContact O-N 3.18Å; E43-A46 PolarHBondContact O-N 3.06Å; E43-F47 WeakPolarHBondContact O-CB 3.45Å; E43-F47 PolarHBondContact O-N 3.25Å; E43-F136 HydrophobicContact CB-CE2 4.11Å; E43-F136 HydrophobicContact CB-CZ 3.88Å
44	F	81.7	Confident	75.9	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-58.9	-51.6	173.7	168.3	-98.5	0	0	0	111.5	F28 E40 H41 K42 A46 F47 F48 A132 L133 F136	F28-F44 HydrophobicContact CE1-CD1 4.21Å; F28-F44 HydrophobicContact CE1-CG 4.32Å; F28-F44 AromaticContact CE2-CD1 3.62Å; F28-F44 HydrophobicContact CE2-CD1 3.62Å; F28-F44 AromaticContact CE2-CE1 3.57Å; F28-F44 HydrophobicContact CE2-CE1 3.57Å; F28-F44 HydrophobicContact CE2-CG 4.48Å; F28-F44 HydrophobicContact CE2-CZ 4.43Å; F28-F44 HydrophobicContact CZ-CB 4.37Å; F28-F44 AromaticContact CZ-CD1 3.19Å; F28-F44 HydrophobicContact CZ-CD1 3.19Å; F28-F44 HydrophobicContact CZ-CD2 4.24Å; F28-F44 AromaticContact CZ-CE1 3.39Å; F28-F44 HydrophobicContact CZ-CE1 3.39Å; F28-F44 HydrophobicContact CZ-CE2 4.41Å; F28-F44 AromaticContact CZ-CG 3.64Å; F28-F44 HydrophobicContact CZ-CG 3.64Å; F28-F44 HydrophobicContact CZ-CZ 4Å; E40-F44 WeakPolarHBondContact O-CB 3.05Å; E40-F44 PolarHBondContact O-N 3.04Å; H41-F44 WeakPolarHBondContact O-CB 3.42Å; H41-F44 PolarHBondContact O-N 3.09Å; K42-F44 VanDerWaalsContact C-N 3.34Å; F44-A46 VanDerWaalsContact C-N 3.31Å; F44-A46 PolarHBondContact O-N 2.86Å; F44-F47 CarbonylContact O-C 3.37Å; F44-F47 WeakPolarHBondContact O-CA 3.28Å; F44-F47 WeakPolarHBondContact O-CB 3.03Å; F44-F47 PolarHBondContact O-N 3.33Å; F44-F47 VanDerWaalsContact O-N 3.08Å; F44-F48 HydrophobicContact CE1-CB 4.44Å; F44-F48 HydrophobicContact CZ-CB 4.37Å; F44-F48 AromaticContact CZ-CD2 3.97Å; F44-F48 HydrophobicContact CZ-CD2 3.97Å; F44-F48 HydrophobicContact CZ-CG 4.49Å; F44-F48 WeakPolarHBondContact O-CB 3.35Å; F44-F48 PolarHBondContact O-N 3.33Å; F44-A132 HydrophobicContact CE2-CB 4.38Å; F44-L133 HydrophobicContact CD2-CD1 3.82Å; F44-L133 VanDerWaalsContact CE2-CA 3.46Å; F44-L133 HydrophobicContact CE2-CB 3.86Å; F44-L133 HydrophobicContact CE2-CD1 3.89Å; F44-L133 HydrophobicContact CG-CD1 4.45Å; F44-L133 HydrophobicContact CZ-CB 4.3Å; F44-F136 HydrophobicContact CB-CD1 3.94Å; F44-F136 HydrophobicContact CB-CE1 3.85Å; F44-F136 HydrophobicContact CB-CE2 4.47Å; F44-F136 HydrophobicContact CB-CG 4.3Å; F44-F136 HydrophobicContact CB-CZ 4.12Å; F44-F136 HydrophobicContact CD2-CB 3.79Å; F44-F136 AromaticContact CD2-CD1 3.84Å; F44-F136 HydrophobicContact CD2-CD1 3.84Å; F44-F136 AromaticContact CD2-CG 3.8Å; F44-F136 HydrophobicContact CD2-CG 3.8Å; F44-F136 HydrophobicContact CE2-CB 4.3Å; F44-F136 HydrophobicContact CG-CD1 4.38Å
45	W	82.5	Confident	75.7	Confident	16 Å²	16	70.8 Å²	70.8	6%	0.061	35%	0.351	C	S	.	.	H	α-helix	trans	-64.3	-36.3	-179.3	-78.8	116.3	0	0	0	112.5	W14 R20 M23 D24 F28 H41 K42 F48 D49	W14-W45 HydrophobicContact CE3-CZ3 4.45Å; R20-W45 HydrophobicContact CB-CH2 4.13Å; R20-W45 HydrophobicContact CB-CZ2 3.91Å; R20-W45 HydrophobicContact CG-CD2 4.47Å; R20-W45 HydrophobicContact CG-CE3 4.24Å; R20-W45 HydrophobicContact CG-CH2 3.84Å; R20-W45 HydrophobicContact CG-CZ2 4.06Å; R20-W45 HydrophobicContact CG-CZ3 3.93Å; M23-W45 HydrophobicContact CB-CH2 3.76Å; M23-W45 HydrophobicContact CB-CZ2 3.84Å; M23-W45 HydrophobicContact CG-CH2 4.12Å; D24-W45 WeakPolarHBondContact OD1-CZ2 3.45Å; D24-W45 PolarHBondContact OD1-NE1 3.35Å; F28-W45 HydrophobicContact CE2-CZ2 4.46Å; H41-W45 AromaticContact CD2-NE1 3.84Å; H41-W45 AromaticContact CE1-CD1 3.63Å; H41-W45 AromaticContact CE1-NE1 3.5Å; H41-W45 AromaticContact NE2-CD1 3.58Å; H41-W45 AromaticContact NE2-NE1 3.13Å; H41-W45 PolarHBondContact NE2-NE1 3.46Å; H41-W45 VanDerWaalsContact NE2-NE1 3.13Å; H41-W45 PolarHBondContact O-N 3.03Å; H41-W45 VanDerWaalsContact O-N 3.14Å; K42-W45 PolarHBondContact O-N 2.74Å; W45-F48 HydrophobicContact CE3-CB 4.17Å; W45-F48 AromaticContact CE3-CD1 3.94Å; W45-F48 HydrophobicContact CE3-CD1 3.94Å; W45-F48 HydrophobicContact CE3-CG 4.13Å; W45-F48 AromaticContact CZ3-CD1 3.81Å; W45-F48 HydrophobicContact CZ3-CD1 3.81Å; W45-F48 HydrophobicContact CZ3-CE1 4.07Å; W45-F48 HydrophobicContact CZ3-CG 4.14Å; W45-F48 WeakPolarHBondContact O-CB 3.49Å; W45-F48 PolarHBondContact O-N 3.5Å; W45-D49 PolarHBondContact O-N 3.3Å
46	A	80	Confident	75.2	Confident	49 Å²	49	67.7 Å²	67.7	41%	0.405	34%	0.344	S	S	.	.	H	α-helix	trans	-66.7	-35.8	172.6	0	0	0	0	0	112.7	K42 E43 F44 R50	K42-A46 PolarHBondContact O-N 3Å; K42-A46 VanDerWaalsContact O-N 3.09Å; E43-A46 PolarHBondContact O-N 3.06Å; F44-A46 VanDerWaalsContact C-N 3.31Å; F44-A46 PolarHBondContact O-N 2.86Å; A46-R50 WeakPolarHBondContact O-CG 3.24Å; A46-R50 PolarHBondContact O-N 3.08Å
47	F	79.3	Confident	74.8	Confident	38 Å²	38	72.6 Å²	72.6	17%	0.167	36%	0.355	C	S	.	.	H	α-helix	trans	-67.3	-42.9	171.5	174.2	-89.1	0	0	0	111.2	E43 F44 D49 R50 F51 H135 F136 F139	E43-F47 WeakPolarHBondContact O-CB 3.45Å; E43-F47 PolarHBondContact O-N 3.25Å; F44-F47 CarbonylContact O-C 3.37Å; F44-F47 WeakPolarHBondContact O-CA 3.28Å; F44-F47 WeakPolarHBondContact O-CB 3.03Å; F44-F47 PolarHBondContact O-N 3.33Å; F44-F47 VanDerWaalsContact O-N 3.08Å; F47-D49 PolarHBondContact O-N 3.21Å; F47-R50 CarbonylContact O-C 3.55Å; F47-R50 WeakPolarHBondContact O-CA 3.33Å; F47-R50 WeakPolarHBondContact O-CB 3.2Å; F47-R50 PolarHBondContact O-N 3.26Å; F47-R50 VanDerWaalsContact O-N 3.09Å; F47-F51 HydrophobicContact CD1-CB 4.38Å; F47-F51 HydrophobicContact CE1-CB 4.14Å; F47-F51 HydrophobicContact CE1-CD2 4.32Å; F47-F51 HydrophobicContact CE1-CG 4.4Å; F47-F51 HydrophobicContact CZ-CD2 4.47Å; F47-F51 WeakPolarHBondContact O-CB 3.4Å; F47-F51 PolarHBondContact O-N 2.94Å; F47-H135 HydrophobicContact CE1-CB 4.15Å; F47-H135 HydrophobicContact CZ-CB 4.09Å; F47-F136 HydrophobicContact CB-CD2 3.62Å; F47-F136 HydrophobicContact CB-CE2 4.08Å; F47-F136 HydrophobicContact CD1-CB 3.72Å; F47-F136 AromaticContact CD1-CD2 3.94Å; F47-F136 HydrophobicContact CD1-CD2 3.94Å; F47-F136 HydrophobicContact CD1-CG 4.28Å; F47-F136 HydrophobicContact CD2-CD2 4.09Å; F47-F136 HydrophobicContact CE1-CB 3.85Å; F47-F136 HydrophobicContact CG-CB 4.28Å; F47-F136 AromaticContact CG-CD2 3.63Å; F47-F136 HydrophobicContact CG-CD2 3.63Å; F47-F136 HydrophobicContact CG-CE2 4.49Å; F47-F136 HydrophobicContact CG-CG 4.41Å; F47-F139 HydrophobicContact CD2-CD1 4.23Å; F47-F139 HydrophobicContact CD2-CG 4.47Å; F47-F139 HydrophobicContact CE2-CB 4.01Å; F47-F139 HydrophobicContact CE2-CD1 4.16Å; F47-F139 HydrophobicContact CE2-CD2 4.42Å; F47-F139 AromaticContact CE2-CG 3.93Å; F47-F139 HydrophobicContact CE2-CG 3.93Å; F47-F139 HydrophobicContact CZ-CB 4.42Å
48	F	79.8	Confident	74.5	Confident	2 Å²	2	78.3 Å²	78.3	1%	0.009	36%	0.36	C	S	.	.	H	α-helix	trans	-58.6	-46.3	179.3	-174.2	-94.3	0	0	0	111.5	W14 F44 W45 R50 F51 Q52 A132	W14-F48 HydrophobicContact CB-CE1 4.31Å; W14-F48 AromaticContact CD2-CE1 3.63Å; W14-F48 HydrophobicContact CD2-CE1 3.63Å; W14-F48 AromaticContact CD2-CZ 3.74Å; W14-F48 HydrophobicContact CD2-CZ 3.74Å; W14-F48 AromaticContact CE3-CE1 3.37Å; W14-F48 HydrophobicContact CE3-CE1 3.37Å; W14-F48 AromaticContact CE3-CZ 3.43Å; W14-F48 HydrophobicContact CE3-CZ 3.43Å; W14-F48 VanDerWaalsContact CE3-CZ 3.43Å; W14-F48 HydrophobicContact CG-CE1 4.07Å; W14-F48 AromaticContact CH2-CZ 3.84Å; W14-F48 HydrophobicContact CH2-CZ 3.84Å; W14-F48 HydrophobicContact CZ2-CZ 4.12Å; W14-F48 AromaticContact CZ3-CE1 3.92Å; W14-F48 HydrophobicContact CZ3-CE1 3.92Å; W14-F48 HydrophobicContact CZ3-CE2 4.39Å; W14-F48 AromaticContact CZ3-CZ 3.49Å; W14-F48 HydrophobicContact CZ3-CZ 3.49Å; W14-F48 VanDerWaalsContact CZ3-CZ 3.49Å; F44-F48 HydrophobicContact CE1-CB 4.44Å; F44-F48 HydrophobicContact CZ-CB 4.37Å; F44-F48 AromaticContact CZ-CD2 3.97Å; F44-F48 HydrophobicContact CZ-CD2 3.97Å; F44-F48 HydrophobicContact CZ-CG 4.49Å; F44-F48 WeakPolarHBondContact O-CB 3.35Å; F44-F48 PolarHBondContact O-N 3.33Å; W45-F48 HydrophobicContact CE3-CB 4.17Å; W45-F48 AromaticContact CE3-CD1 3.94Å; W45-F48 HydrophobicContact CE3-CD1 3.94Å; W45-F48 HydrophobicContact CE3-CG 4.13Å; W45-F48 AromaticContact CZ3-CD1 3.81Å; W45-F48 HydrophobicContact CZ3-CD1 3.81Å; W45-F48 HydrophobicContact CZ3-CE1 4.07Å; W45-F48 HydrophobicContact CZ3-CG 4.14Å; W45-F48 WeakPolarHBondContact O-CB 3.49Å; W45-F48 PolarHBondContact O-N 3.5Å; F48-R50 VanDerWaalsContact C-N 3.26Å; F48-R50 PolarHBondContact O-N 2.85Å; F48-F51 WeakPolarHBondContact O-CB 3.41Å; F48-F51 PolarHBondContact O-N 3.44Å; F48-F51 VanDerWaalsContact O-N 3.11Å; F48-Q52 HydrophobicContact CD1-CG 4.13Å; F48-Q52 HydrophobicContact CE1-CG 3.76Å; F48-Q52 HydrophobicContact CZ-CG 4.02Å; F48-Q52 WeakPolarHBondContact O-CG 3.48Å; F48-Q52 PolarHBondContact O-N 2.98Å; F48-A132 HydrophobicContact CD2-CB 3.4Å; F48-A132 VanDerWaalsContact CD2-CB 3.4Å; F48-A132 HydrophobicContact CE2-CB 3.66Å
49	D	78.5	Confident	73.8	Confident	51 Å²	51	83.3 Å²	83.3	27%	0.273	38%	0.38	S	S	.	.	H	α-helix	trans	-59.7	-36.7	175.7	-69.6	-26.2	0	0	0	112.2	R20 W45 F47 R53	R20-D49 IonicContact CZ-OD1 2.77Å; R20-D49 IonicContact NH1-OD1 3.71Å; R20-D49 IonicContact NH1-OD2 3.76Å; R20-D49 IonicContact NH2-OD1 3.83Å; R20-D49 PolarHBondContact NH2-OD1 2.87Å; R20-D49 IonicContact NH2-OD2 2.66Å; W45-D49 PolarHBondContact O-N 3.3Å; F47-D49 PolarHBondContact O-N 3.21Å; D49-R53 VanDerWaalsContact O-CG 3.28Å; D49-R53 WeakPolarHBondContact O-CG 3.24Å; D49-R53 PolarHBondContact O-N 3.25Å
50	R	77.1	Confident	72.8	Confident	184 Å²	184	87.4 Å²	87.4	69%	0.694	40%	0.395	S	S	*	.	H	α-helix	trans	-73.4	-39.4	175.1	-67	175.5	-174.9	-174.8	2.5	111.8	A46 F47 F48 R53 F54	A46-R50 WeakPolarHBondContact O-CG 3.24Å; A46-R50 PolarHBondContact O-N 3.08Å; F47-R50 CarbonylContact O-C 3.55Å; F47-R50 WeakPolarHBondContact O-CA 3.33Å; F47-R50 WeakPolarHBondContact O-CB 3.2Å; F47-R50 PolarHBondContact O-N 3.26Å; F47-R50 VanDerWaalsContact O-N 3.09Å; F48-R50 VanDerWaalsContact C-N 3.26Å; F48-R50 PolarHBondContact O-N 2.85Å; R50-R53 PolarHBondContact O-N 3.28Å; R50-F54 WeakPolarHBondContact O-CB 3.2Å; R50-F54 PolarHBondContact O-N 3.47Å
51	F	73.7	Confident	71.8	Confident	35 Å²	35	87 Å²	87	15%	0.154	40%	0.401	C	S	.	.	H	α-helix	trans	-62.7	-42.9	177.5	-178.9	-101.2	0	0	0	111	F47 F48 F54 K55 L131 A132 H135	F47-F51 HydrophobicContact CD1-CB 4.38Å; F47-F51 HydrophobicContact CE1-CB 4.14Å; F47-F51 HydrophobicContact CE1-CD2 4.32Å; F47-F51 HydrophobicContact CE1-CG 4.4Å; F47-F51 HydrophobicContact CZ-CD2 4.47Å; F47-F51 WeakPolarHBondContact O-CB 3.4Å; F47-F51 PolarHBondContact O-N 2.94Å; F48-F51 WeakPolarHBondContact O-CB 3.41Å; F48-F51 PolarHBondContact O-N 3.44Å; F48-F51 VanDerWaalsContact O-N 3.11Å; F51-F54 WeakPolarHBondContact O-CB 3.38Å; F51-F54 PolarHBondContact O-N 3.07Å; F51-K55 WeakPolarHBondContact O-CB 3.35Å; F51-K55 PolarHBondContact O-N 2.85Å; F51-L131 HydrophobicContact CZ-CD2 4.49Å; F51-A132 HydrophobicContact CD1-CB 3.75Å; F51-A132 HydrophobicContact CE1-CB 3.93Å; F51-A132 HydrophobicContact CG-CB 4.41Å; F51-H135 HydrophobicContact CE2-CB 4.37Å; F51-H135 AromaticContact CE2-CD2 3.67Å; F51-H135 AromaticContact CZ-CD2 3.76Å
52	Q	73.4	Confident	69.9	Low	54 Å²	54	89.2 Å²	89.2	25%	0.252	43%	0.428	S	S	.	.	H	α-helix	trans	-63.8	-44.7	174.3	-71.9	-158	-28.7	0	0	112.6	W14 F48 F54 K55 A56	W14-Q52 VanDerWaalsContact CD2-NE2 3.32Å; W14-Q52 VanDerWaalsContact CE2-NE2 3.3Å; W14-Q52 VanDerWaalsContact NE1-NE2 3.12Å; F48-Q52 HydrophobicContact CD1-CG 4.13Å; F48-Q52 HydrophobicContact CE1-CG 3.76Å; F48-Q52 HydrophobicContact CZ-CG 4.02Å; F48-Q52 WeakPolarHBondContact O-CG 3.48Å; F48-Q52 PolarHBondContact O-N 2.98Å; Q52-F54 VanDerWaalsContact C-N 3.25Å; Q52-F54 PolarHBondContact O-N 3.05Å; Q52-K55 PolarHBondContact O-N 3.03Å; Q52-A56 WeakPolarHBondContact O-CB 3.46Å; Q52-A56 PolarHBondContact O-N 3.4Å
53	R	73.8	Confident	68.3	Low	186 Å²	186	88.7 Å²	88.7	70%	0.702	44%	0.443	S	S	*	.	H	α-helix	trans	-60.7	-36.1	174.2	-71.4	172.8	-170.3	178.8	4.8	112.2	D49 R50 K57	D49-R53 VanDerWaalsContact O-CG 3.28Å; D49-R53 WeakPolarHBondContact O-CG 3.24Å; D49-R53 PolarHBondContact O-N 3.25Å; R50-R53 PolarHBondContact O-N 3.28Å; R53-K57 WeakPolarHBondContact O-CB 3.42Å; R53-K57 PolarHBondContact O-N 3Å
54	F	69.9	Low	66.4	Low	119 Å²	119	86.5 Å²	86.5	52%	0.522	45%	0.451	S	S	.	.	H	α-helix	trans	-70.4	-43.3	176.3	179.4	-100.2	0	0	0	112.1	R50 F51 Q52 K57 R58	R50-F54 WeakPolarHBondContact O-CB 3.2Å; R50-F54 PolarHBondContact O-N 3.47Å; F51-F54 WeakPolarHBondContact O-CB 3.38Å; F51-F54 PolarHBondContact O-N 3.07Å; Q52-F54 VanDerWaalsContact C-N 3.25Å; Q52-F54 PolarHBondContact O-N 3.05Å; F54-K57 PolarHBondContact O-N 3.31Å; F54-R58 VanDerWaalsContact CE1-CD 3.49Å; F54-R58 HydrophobicContact CE1-CG 4.33Å; F54-R58 HydrophobicContact CZ-CG 4.26Å; F54-R58 PolarHBondContact O-N 3.4Å
55	K	69.3	Low	64.2	Low	63 Å²	63	94.6 Å²	94.6	27%	0.274	49%	0.493	S	S	.	.	H	α-helix	trans	-60.7	-48.3	175	-169	178.7	175.5	-173.9	0	110.7	F51 Q52 K57 R58 E59 D128	F51-K55 WeakPolarHBondContact O-CB 3.35Å; F51-K55 PolarHBondContact O-N 2.85Å; Q52-K55 PolarHBondContact O-N 3.03Å; K55-K57 VanDerWaalsContact C-N 3.35Å; K55-K57 PolarHBondContact O-N 3.33Å; K55-R58 PolarHBondContact O-N 3.18Å; K55-R58 VanDerWaalsContact O-N 3.12Å; K55-E59 WeakPolarHBondContact CE-OE1 3.32Å; K55-E59 WeakPolarHBondContact O-CG 3.37Å; K55-E59 PolarHBondContact O-N 2.63Å; K55-D128 IonicContact NZ-OD1 3.32Å; K55-D128 PolarHBondContact NZ-OD1 3.19Å; K55-D128 IonicContact NZ-OD2 2.87Å; K55-D128 PolarHBondContact NZ-OD2 3.16Å
56	A	66.9	Low	61.8	Low	41 Å²	41	105 Å²	105	34%	0.339	53%	0.532	S	S	.	.	H	α-helix	trans	-60.3	-39.8	175.3	0	0	0	0	0	112.8	Q52 E59 M60	Q52-A56 WeakPolarHBondContact O-CB 3.46Å; Q52-A56 PolarHBondContact O-N 3.4Å; A56-E59 PolarHBondContact O-N 3.43Å; A56-M60 WeakPolarHBondContact O-CG 3.4Å; A56-M60 PolarHBondContact O-N 3.45Å
57	K	65.1	Low	59.9	Low	158 Å²	158	110.4 Å²	110.4	69%	0.687	55%	0.554	S	S	*	*	H	α-helix	trans	-65.2	-40.3	173.3	-96.2	-174.2	173.3	-176.1	0	112.9	R53 F54 K55 M60 S61	R53-K57 WeakPolarHBondContact O-CB 3.42Å; R53-K57 PolarHBondContact O-N 3Å; F54-K57 PolarHBondContact O-N 3.31Å; K55-K57 VanDerWaalsContact C-N 3.35Å; K55-K57 PolarHBondContact O-N 3.33Å; K57-M60 PolarHBondContact O-N 3.26Å; K57-S61 PolarHBondContact O-N 3.17Å; K57-S61 PolarHBondContact O-OG 3.5Å
58	R	61.2	Low	57.6	Low	174 Å²	174	115.1 Å²	115.1	66%	0.657	58%	0.581	S	S	*	*	H	α-helix	trans	-69.1	-33.3	175.7	-95.9	-177.4	69.2	170.6	0.2	112.8	F54 K55 S61	F54-R58 VanDerWaalsContact CE1-CD 3.49Å; F54-R58 HydrophobicContact CE1-CG 4.33Å; F54-R58 HydrophobicContact CZ-CG 4.26Å; F54-R58 PolarHBondContact O-N 3.4Å; K55-R58 PolarHBondContact O-N 3.18Å; K55-R58 VanDerWaalsContact O-N 3.12Å; R58-S61 WeakPolarHBondContact CA-OG 3.4Å; R58-S61 CarbonylContact O-C 3.55Å; R58-S61 PolarHBondContact O-N 2.92Å
59	E	58.9	Low	55.3	Low	137 Å²	137	121.5 Å²	121.5	64%	0.64	62%	0.62	S	S	*	*	H	α-helix	trans	-73.5	-31.2	175.3	-73.2	170.6	179.1	0	0	111.6	K55 A56	K55-E59 WeakPolarHBondContact CE-OE1 3.32Å; K55-E59 WeakPolarHBondContact O-CG 3.37Å; K55-E59 PolarHBondContact O-N 2.63Å; A56-E59 PolarHBondContact O-N 3.43Å
60	M	50.8	Low	53	Low	169 Å²	169	127.4 Å²	127.4	83%	0.833	64%	0.643	S	S	*	*	H	α-helix	trans	-75.9	-24.4	170.2	-71.3	-171.2	-159.5	0	0	114	A56 K57	A56-M60 WeakPolarHBondContact O-CG 3.4Å; A56-M60 PolarHBondContact O-N 3.45Å; K57-M60 PolarHBondContact O-N 3.26Å
61	S	49.2	Very low	50.8	Low	76 Å²	76	127 Å²	127	53%	0.531	65%	0.649	S	S	.	*	S	Bend	trans	-100.1	80.2	174.5	43.5	0	0	0	0	109.4	K57 R58	K57-S61 PolarHBondContact O-N 3.17Å; K57-S61 PolarHBondContact O-OG 3.5Å; R58-S61 WeakPolarHBondContact CA-OG 3.4Å; R58-S61 CarbonylContact O-C 3.55Å; R58-S61 PolarHBondContact O-N 2.92Å
62	G	39.5	Very low	48.8	Very low	61 Å²	61	134.9 Å²	134.9	63%	0.629	68%	0.683	S	S	*	*			trans	-45.3	148.4	-174.8	0	0	0	0	0	114.9	G64	G62-G64 PolarHBondContact O-N 2.96Å; G62-G64 VanDerWaalsContact O-N 3.09Å
63	S	44.7	Very low	46.7	Very low	134 Å²	134	141.8 Å²	141.8	94%	0.937	71%	0.713	S	S	*	*	S	Bend	trans	-35.8	107.3	176	54.4	0	0	0	0	113.9
64	G	38.4	Very low	44.6	Very low	69 Å²	69	144.7 Å²	144.7	71%	0.711	72%	0.723	S	S	*	*			trans	173.6	51.5	177.4	0	0	0	0	0	115.3	G62	G62-G64 PolarHBondContact O-N 2.96Å; G62-G64 VanDerWaalsContact O-N 3.09Å
65	I	35.4	Very low	42.8	Very low	171 Å²	171	144.6 Å²	144.6	88%	0.877	74%	0.738	S	S	*	*			trans	-135.6	98.2	159.1	-58.4	-179	0	0	0	107.5
66	R	33.2	Very low	41.2	Very low	235 Å²	235	145.5 Å²	145.5	89%	0.887	77%	0.765	S	S	*	*			trans	-67.6	148.5	161.9	-84	178.9	171.2	173.8	-3	109	D68	R66-D68 PolarHBondContact O-N 3.03Å
67	D	39.5	Very low	39.3	Very low	162 Å²	162	148.7 Å²	148.7	87%	0.866	78%	0.784	S	S	*	*			trans	-38.6	117.7	174.8	-67.3	-58.1	0	0	0	113.6
68	D	31.5	Very low	37.8	Very low	136 Å²	136	150 Å²	150	73%	0.727	79%	0.793	S	S	*	*			trans	-150.8	61.3	159.2	-130.6	-9.3	0	0	0	109.8	R66 K70	R66-D68 PolarHBondContact O-N 3.03Å; D68-K70 PolarHBondContact O-N 3.36Å
69	V	32.5	Very low	36.4	Very low	136 Å²	136	151.1 Å²	151.1	82%	0.824	80%	0.803	S	S	*	*			trans	-90.5	82.6	161.1	-176.7	0	0	0	0	107.1	E71	V69-E71 PolarHBondContact O-N 3.36Å; V69-E71 VanDerWaalsContact O-N 3.08Å
70	K	29.5	Very low	35.3	Very low	176 Å²	176	149 Å²	149	77%	0.765	80%	0.799	S	S	*	*			trans	-59.9	108.4	158.9	-87.2	177.9	177.9	168.7	0	108.2	D68 K72	D68-K70 PolarHBondContact O-N 3.36Å; K70-K72 PolarHBondContact O-N 3.03Å
71	E	31.6	Very low	34.8	Very low	175 Å²	175	146.3 Å²	146.3	82%	0.818	79%	0.788	S	S	*	*			trans	-51.6	104.1	161.4	-78.2	-171.9	131.9	0	0	109.4	V69 K73	V69-E71 PolarHBondContact O-N 3.36Å; V69-E71 VanDerWaalsContact O-N 3.08Å; E71-K73 VanDerWaalsContact C-N 3.31Å; E71-K73 PolarHBondContact O-N 3.46Å
72	K	29.9	Very low	34.2	Very low	200 Å²	200	145.1 Å²	145.1	87%	0.87	78%	0.775	S	S	*	*			trans	-67.2	97.4	158.8	-91.7	-178.5	174.4	175.9	0	107.3	K70 R74	K70-K72 PolarHBondContact O-N 3.03Å; K72-R74 PolarHBondContact O-N 3.04Å
73	K	29.5	Very low	34.2	Very low	200 Å²	200	145.5 Å²	145.5	87%	0.87	78%	0.779	S	S	*	*			trans	-46.5	103.7	161.3	-80.3	179.6	176.1	175.4	0	108.8	E71	E71-K73 VanDerWaalsContact C-N 3.31Å; E71-K73 PolarHBondContact O-N 3.46Å
74	R	31.1	Very low	33.8	Very low	246 Å²	246	141.4 Å²	141.4	93%	0.928	75%	0.746	S	S	*	*			trans	-79.3	116.4	159.4	-87.1	-176.8	165.5	179.1	-4	107.1	K72	K72-R74 PolarHBondContact O-N 3.04Å
75	S	30.4	Very low	33.6	Very low	118 Å²	118	140.7 Å²	140.7	83%	0.825	73%	0.73	S	S	*	*			trans	-57.7	136	175.8	49.6	0	0	0	0	112.2
76	G	35.6	Very low	33.8	Very low	81 Å²	81	141.1 Å²	141.1	84%	0.835	73%	0.725	S	S	*	*			trans	61.4	81.9	148.4	0	0	0	0	0	117.6
77	S	27.7	Very low	34.2	Very low	108 Å²	108	137.6 Å²	137.6	76%	0.755	72%	0.719	S	S	*	*			trans	-139.9	121.7	148.5	64.9	0	0	0	0	107.7	K79	S77-K79 PolarHBondContact O-N 2.92Å
78	E	34.8	Very low	34.4	Very low	186 Å²	186	133 Å²	133	87%	0.869	69%	0.69	S	S	*	*			trans	-47	129.2	178.8	-69.5	175.6	144.4	0	0	110.9	V80	E78-V80 PolarHBondContact O-N 2.85Å
79	K	30.6	Very low	34.9	Very low	198 Å²	198	128.7 Å²	128.7	86%	0.861	67%	0.667	S	S	*	*			trans	-72	92.6	-174.2	-76.2	177.3	176.8	173.7	0	109.9	S77 D81	S77-K79 PolarHBondContact O-N 2.92Å; K79-D81 PolarHBondContact O-N 2.98Å
80	V	36	Very low	35.6	Very low	92 Å²	92	125.6 Å²	125.6	56%	0.558	66%	0.655	S	S	*	*			trans	-74.8	113	168.3	-179.7	0	0	0	0	109.2	E78 L82 K156	E78-V80 PolarHBondContact O-N 2.85Å; V80-L82 PolarHBondContact O-N 2.96Å; V80-L82 VanDerWaalsContact O-N 3.13Å; V80-K156 HydrophobicContact CG1-CD 3.45Å; V80-K156 VanDerWaalsContact CG1-CD 3.45Å
81	D	39.5	Very low	36.1	Very low	113 Å²	113	126.9 Å²	126.9	60%	0.604	66%	0.655	S	S	*	*			trans	-67.5	105.2	177.6	-175.6	7.9	0	0	0	111	K79 G83 K156	K79-D81 PolarHBondContact O-N 2.98Å; D81-G83 VanDerWaalsContact C-N 3.26Å; D81-G83 PolarHBondContact O-N 2.81Å; D81-G83 PolarHBondContact OD1-N 3.39Å; D81-K156 PolarHBondContact O-NZ 2.92Å
82	L	38.3	Very low	36.5	Very low	51 Å²	51	125.5 Å²	125.5	27%	0.267	64%	0.644	S	S	.	*			trans	-76.8	-2.1	-174.8	-72.9	163.9	0	0	0	114.1	V80 L84 R152 K156	V80-L82 PolarHBondContact O-N 2.96Å; V80-L82 VanDerWaalsContact O-N 3.13Å; L82-L84 PolarHBondContact O-N 3.35Å; L82-R152 HydrophobicContact CD2-CB 4.45Å; L82-K156 HydrophobicContact CD2-CD 3.62Å; L82-K156 HydrophobicContact CD2-CG 4.28Å
83	G	37.9	Very low	37.4	Very low	69 Å²	69	120.7 Å²	120.7	71%	0.711	62%	0.62	S	S	*	*	S	Bend	trans	62	19.4	-175.7	0	0	0	0	0	113.4	D81	D81-G83 VanDerWaalsContact C-N 3.26Å; D81-G83 PolarHBondContact O-N 2.81Å; D81-G83 PolarHBondContact OD1-N 3.39Å
84	L	36.7	Very low	38.1	Very low	47 Å²	47	115.2 Å²	115.2	25%	0.246	60%	0.599	C	S	.	*	S	Bend	trans	-123.3	147.5	176.6	-67.5	171.9	0	0	0	108.2	L82 K86 F145 R152	L82-L84 PolarHBondContact O-N 3.35Å; L84-K86 PolarHBondContact O-N 3.08Å; L84-F145 HydrophobicContact CB-CZ 4.27Å; L84-F145 HydrophobicContact CD2-CE2 4.38Å; L84-R152 HydrophobicContact CD1-CG 4.31Å
85	P	35.5	Very low	38.6	Very low	55 Å²	55	110.3 Å²	110.3	36%	0.357	59%	0.592	S	S	.	*			trans	-52.3	127.7	171.7	-24	33.3	0	0	0	110.6	E87 Y92	P85-E87 WeakPolarHBondContact CB-O 3.39Å; P85-E87 PolarHBondContact O-N 3.33Å; P85-Y92 HydrophobicContact CB-CE2 4.45Å; P85-Y92 HydrophobicContact CG-CD2 4.47Å; P85-Y92 HydrophobicContact CG-CE2 3.79Å
86	K	38.8	Very low	39.5	Very low	180 Å²	180	107.2 Å²	107.2	78%	0.783	57%	0.568	S	S	*	*	S	Bend	trans	-67	-25.3	-174.2	-71	175.6	-179.1	165.8	0	112.8	L84	L84-K86 PolarHBondContact O-N 3.08Å
87	E	41.5	Very low	40	Very low	161 Å²	161	107.3 Å²	107.3	75%	0.752	56%	0.556	S	S	*	*	S	Bend	trans	-125.8	146.4	171.3	-69.1	177.4	176.3	0	0	108	P85 D89	P85-E87 WeakPolarHBondContact CB-O 3.39Å; P85-E87 PolarHBondContact O-N 3.33Å; E87-D89 PolarHBondContact O-N 3.25Å
88	Y	42.5	Very low	41.1	Very low	65 Å²	65	103.1 Å²	103.1	26%	0.255	53%	0.525	S	S	.	.			trans	-60.9	104.4	168.9	170.9	-101.6	0	0	0	107.9	R93 D138 Q141	Y88-R93 WeakPolarHBondContact OH-CA 3.31Å; Y88-D138 WeakPolarHBondContact CE1-OD1 3.26Å; Y88-D138 PolarHBondContact OH-OD1 3.19Å; Y88-Q141 PolarHBondContact OH-OE1 3.37Å
89	D	43.9	Very low	41.8	Very low	46 Å²	46	98.9 Å²	98.9	25%	0.246	52%	0.515	C	S	.	.			trans	-76.7	125.2	175.7	-166.8	-35.6	0	0	0	108.5	E87 R91 Y92	E87-D89 PolarHBondContact O-N 3.25Å; D89-R91 VanDerWaalsContact CG-NE 3.32Å; D89-R91 PolarHBondContact O-N 2.81Å; D89-R91 VanDerWaalsContact OD1-CB 3.31Å; D89-R91 WeakPolarHBondContact OD1-CB 3.32Å; D89-R91 VanDerWaalsContact OD1-CG 3.25Å; D89-R91 WeakPolarHBondContact OD1-CG 3.48Å; D89-R91 PolarHBondContact OD1-N 3.46Å; D89-R91 IonicContact OD1-NE 3.31Å; D89-R91 PolarHBondContact OD1-NE 3.25Å; D89-R91 VanDerWaalsContact OD1-NE 3.12Å; D89-R91 IonicContact OD2-CZ 2.88Å; D89-R91 IonicContact OD2-NE 2.75Å; D89-R91 PolarHBondContact OD2-NE 2.89Å; D89-R91 IonicContact OD2-NH2 3.44Å; D89-R91 PolarHBondContact OD2-NH2 3.36Å; D89-Y92 HydrophobicContact CB-CD2 3.75Å; D89-Y92 HydrophobicContact CB-CE2 3.93Å; D89-Y92 PolarHBondContact O-N 3.28Å
90	A	46.1	Very low	42.9	Very low	71 Å²	71	89.6 Å²	89.6	59%	0.587	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-56.9	-17	178.6	0	0	0	0	0	112.8	Y92 R93	A90-Y92 VanDerWaalsContact C-N 3.26Å; A90-Y92 PolarHBondContact O-N 3.11Å; A90-R93 WeakPolarHBondContact O-CB 3.34Å; A90-R93 PolarHBondContact O-N 3.34Å
91	R	39.4	Very low	43.7	Very low	202 Å²	202	86.9 Å²	86.9	76%	0.762	47%	0.466	S	S	*	.	G	3₁₀ helix	trans	-66.2	-21.5	172.1	-66.5	-178.2	-73.9	179.7	-2.5	114.3	D89	D89-R91 VanDerWaalsContact CG-NE 3.32Å; D89-R91 PolarHBondContact O-N 2.81Å; D89-R91 VanDerWaalsContact OD1-CB 3.31Å; D89-R91 WeakPolarHBondContact OD1-CB 3.32Å; D89-R91 VanDerWaalsContact OD1-CG 3.25Å; D89-R91 WeakPolarHBondContact OD1-CG 3.48Å; D89-R91 PolarHBondContact OD1-N 3.46Å; D89-R91 IonicContact OD1-NE 3.31Å; D89-R91 PolarHBondContact OD1-NE 3.25Å; D89-R91 VanDerWaalsContact OD1-NE 3.12Å; D89-R91 IonicContact OD2-CZ 2.88Å; D89-R91 IonicContact OD2-NE 2.75Å; D89-R91 PolarHBondContact OD2-NE 2.89Å; D89-R91 IonicContact OD2-NH2 3.44Å; D89-R91 PolarHBondContact OD2-NH2 3.36Å
92	Y	41.6	Very low	44.4	Very low	147 Å²	147	84.8 Å²	84.8	58%	0.576	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-93.1	-0.4	173.3	-60.6	-68.9	0	0	0	113.2	P85 D89 A90 I94 Q141	P85-Y92 HydrophobicContact CB-CE2 4.45Å; P85-Y92 HydrophobicContact CG-CD2 4.47Å; P85-Y92 HydrophobicContact CG-CE2 3.79Å; D89-Y92 HydrophobicContact CB-CD2 3.75Å; D89-Y92 HydrophobicContact CB-CE2 3.93Å; D89-Y92 PolarHBondContact O-N 3.28Å; A90-Y92 VanDerWaalsContact C-N 3.26Å; A90-Y92 PolarHBondContact O-N 3.11Å; Y92-I94 PolarHBondContact O-N 3.48Å; Y92-Q141 PolarHBondContact O-NE2 3.02Å
93	R	48.2	Very low	45.3	Very low	98 Å²	98	83.2 Å²	83.2	37%	0.37	45%	0.446	S	S	.	.	S	Bend	trans	-55	124.9	168.9	-169.7	176.2	-175.9	178.7	-0.1	106.8	Y88 A90 N95	Y88-R93 WeakPolarHBondContact OH-CA 3.31Å; A90-R93 WeakPolarHBondContact O-CB 3.34Å; A90-R93 PolarHBondContact O-N 3.34Å; R93-N95 VanDerWaalsContact C-N 3.34Å; R93-N95 PolarHBondContact O-N 3.07Å
94	I	44.6	Very low	46	Very low	85 Å²	85	84.6 Å²	84.6	44%	0.436	43%	0.434	S	S	.	.			trans	-61	106.2	174.5	-47.1	179.1	0	0	0	106.1	Y92 V96	Y92-I94 PolarHBondContact O-N 3.48Å; I94-V96 HydrophobicContact CB-CG2 3.97Å; I94-V96 HydrophobicContact CG2-CG2 3.21Å; I94-V96 PolarHBondContact O-N 2.89Å
95	N	41.8	Very low	46.8	Very low	144 Å²	144	90.2 Å²	90.2	77%	0.77	46%	0.456	S	S	*	.			trans	-74.7	62.1	173.1	-82.2	-21.4	0	0	0	108.1	R93 S97	R93-N95 VanDerWaalsContact C-N 3.34Å; R93-N95 PolarHBondContact O-N 3.07Å; N95-S97 PolarHBondContact O-N 3.42Å
96	V	47.6	Very low	47.6	Very low	53 Å²	53	97.1 Å²	97.1	32%	0.321	48%	0.475	S	S	.	.			trans	-75	103.2	166.5	-165.8	0	0	0	0	105.9	I94 V98	I94-V96 HydrophobicContact CB-CG2 3.97Å; I94-V96 HydrophobicContact CG2-CG2 3.21Å; I94-V96 PolarHBondContact O-N 2.89Å; V96-V98 PolarHBondContact O-N 3.15Å
97	S	46.6	Very low	48.3	Very low	83 Å²	83	92.2 Å²	92.2	58%	0.58	46%	0.457	S	S	*	.			trans	-69.9	109.8	158.1	55.7	0	0	0	0	106.7	N95 C99	N95-S97 PolarHBondContact O-N 3.42Å; S97-C99 PolarHBondContact O-N 2.68Å
98	V	50.2	Low	48.6	Very low	20 Å²	20	87.5 Å²	87.5	12%	0.121	45%	0.452	C	S	.	.			trans	-63.8	105.4	164.5	-172.5	0	0	0	0	106.4	F27 V96 T100 L133	F27-V98 HydrophobicContact CD1-CG1 3.7Å; F27-V98 HydrophobicContact CE1-CG1 3.86Å; V96-V98 PolarHBondContact O-N 3.15Å; V98-T100 HydrophobicContact CG1-CG2 3.92Å; V98-T100 PolarHBondContact O-N 3.48Å; V98-L133 HydrophobicContact CG2-CD2 4.12Å
99	C	49.9	Very low	48.8	Very low	97 Å²	97	93.1 Å²	93.1	66%	0.655	48%	0.478	S	S	*	.			trans	-76.9	87.8	179.8	-73.8	0	0	0	0	109.2	S97 G101	S97-C99 PolarHBondContact O-N 2.68Å; C99-G101 VanDerWaalsContact C-N 3.34Å
100	T	53.4	Low	48.8	Very low	3 Å²	3	95.8 Å²	95.8	2%	0.018	50%	0.5	C	S	.	.			trans	-93	12.5	173.4	44.6	0	0	0	0	113	I26 F27 V98 D102 I103 E104	I26-T100 HydrophobicContact CG2-CG2 4.34Å; F27-T100 HydrophobicContact CE1-CG2 3.87Å; F27-T100 HydrophobicContact CZ-CG2 4.36Å; V98-T100 HydrophobicContact CG1-CG2 3.92Å; V98-T100 PolarHBondContact O-N 3.48Å; T100-D102 VanDerWaalsContact C-N 3.26Å; T100-D102 PolarHBondContact O-N 3.32Å; T100-I103 WeakPolarHBondContact O-CA 3.25Å; T100-I103 PolarHBondContact O-N 3.06Å; T100-E104 PolarHBondContact O-N 2.86Å; T100-E104 PolarHBondContact OG1-OE1 2.96Å
101	G	53.3	Low	48.7	Very low	35 Å²	35	98.3 Å²	98.3	36%	0.361	50%	0.504	S	S	.	.	H	α-helix	trans	-62.3	-27.9	-169.1	0	0	0	0	0	114.8	C99 K105	C99-G101 VanDerWaalsContact C-N 3.34Å; G101-K105 WeakPolarHBondContact O-CB 3.41Å; G101-K105 WeakPolarHBondContact O-CD 3.46Å; G101-K105 WeakPolarHBondContact O-CG 3.33Å; G101-K105 PolarHBondContact O-N 2.99Å
102	D	55.5	Low	49	Very low	68 Å²	68	94.7 Å²	94.7	36%	0.364	51%	0.507	S	S	.	.	H	α-helix	trans	-70.8	-31.4	171.5	45.1	-54	0	0	0	112.9	R29 T100 R106	R29-D102 IonicContact CZ-OD2 3.56Å; R29-D102 IonicContact NH1-OD2 3.59Å; R29-D102 PolarHBondContact NH1-OD2 3.34Å; R29-D102 IonicContact NH2-OD2 2.68Å; R29-D102 PolarHBondContact NH2-OD2 3.03Å; T100-D102 VanDerWaalsContact C-N 3.26Å; T100-D102 PolarHBondContact O-N 3.32Å; D102-R106 WeakPolarHBondContact O-CG 3.39Å; D102-R106 PolarHBondContact O-N 3.44Å
103	I	55.4	Low	49.1	Very low	18 Å²	18	99 Å²	99	9%	0.092	52%	0.522	C	S	.	.	H	α-helix	trans	-85.9	-40.8	177.2	-68.3	167.2	0	0	0	111.6	I26 R29 T100 K105 R106 L107	I26-I103 HydrophobicContact CB-CD1 3.82Å; I26-I103 HydrophobicContact CG1-CD1 3.7Å; I26-I103 HydrophobicContact CG2-CD1 3.53Å; R29-I103 VanDerWaalsContact NH2-CG1 3.33Å; T100-I103 WeakPolarHBondContact O-CA 3.25Å; T100-I103 PolarHBondContact O-N 3.06Å; I103-K105 PolarHBondContact O-N 3.4Å; I103-R106 CarbonylContact O-C 3.58Å; I103-R106 PolarHBondContact O-N 3.02Å; I103-L107 HydrophobicContact CG2-CD1 3.51Å; I103-L107 HydrophobicContact CG2-CG 3.98Å; I103-L107 WeakPolarHBondContact O-CB 3.43Å; I103-L107 WeakPolarHBondContact O-CG 3.36Å; I103-L107 PolarHBondContact O-N 3.14Å
104	E	52.9	Low	48.7	Very low	99 Å²	99	98.5 Å²	98.5	46%	0.463	53%	0.533	S	S	.	.	H	α-helix	trans	-60.7	-35.9	175.2	-72	170.1	-165.8	0	0	111	T100 G108 R130	T100-E104 PolarHBondContact O-N 2.86Å; T100-E104 PolarHBondContact OG1-OE1 2.96Å; E104-G108 PolarHBondContact O-N 3.43Å; E104-R130 IonicContact OE1-NH1 2.8Å
105	K	53.8	Low	48.7	Very low	164 Å²	164	106.9 Å²	106.9	71%	0.713	56%	0.559	S	S	*	*	H	α-helix	trans	-70.6	-29.6	171.3	-75.4	175.9	-177.9	178	0	114.1	G101 I103	G101-K105 WeakPolarHBondContact O-CB 3.41Å; G101-K105 WeakPolarHBondContact O-CD 3.46Å; G101-K105 WeakPolarHBondContact O-CG 3.33Å; G101-K105 PolarHBondContact O-N 2.99Å; I103-K105 PolarHBondContact O-N 3.4Å
106	R	52.8	Low	48.6	Very low	200 Å²	200	108.2 Å²	108.2	76%	0.755	56%	0.561	S	S	*	*	H	α-helix	trans	-80.9	-37.3	176.1	-81.3	177.8	177.3	174.4	1	112.6	D102 I103	D102-R106 WeakPolarHBondContact O-CG 3.39Å; D102-R106 PolarHBondContact O-N 3.44Å; I103-R106 CarbonylContact O-C 3.58Å; I103-R106 PolarHBondContact O-N 3.02Å
107	L	52.8	Low	48.4	Very low	78 Å²	78	117.2 Å²	117.2	41%	0.408	59%	0.589	S	S	.	*	H	α-helix	trans	-71.8	-31.9	174.2	-73.3	167.9	0	0	0	111.8	I103 V126	I103-L107 HydrophobicContact CG2-CD1 3.51Å; I103-L107 HydrophobicContact CG2-CG 3.98Å; I103-L107 WeakPolarHBondContact O-CB 3.43Å; I103-L107 WeakPolarHBondContact O-CG 3.36Å; I103-L107 PolarHBondContact O-N 3.14Å; L107-V126 HydrophobicContact CD1-CG2 4.34Å
108	G	47.9	Very low	48.4	Very low	62 Å²	62	116.6 Å²	116.6	64%	0.639	59%	0.585	S	S	*	*	S	Bend	trans	-78.3	-12.7	176.4	0	0	0	0	0	115.4	E104	E104-G108 PolarHBondContact O-N 3.43Å
109	K	47.4	Very low	48.7	Very low	182 Å²	182	120.1 Å²	120.1	79%	0.791	61%	0.611	S	S	*	*			trans	-102.2	65.2	173.5	-74.8	-174.1	176.6	-174.8	0	110.6	D111	K109-D111 PolarHBondContact O-N 3.03Å
110	S	44.1	Very low	49.1	Very low	103 Å²	103	117 Å²	117	72%	0.72	59%	0.594	S	S	*	*			trans	-78.5	106	161.8	42.8	0	0	0	0	108.9
111	D	43.8	Very low	49.7	Very low	123 Å²	123	117.4 Å²	117.4	66%	0.658	60%	0.597	S	S	*	*			trans	-62.5	126.8	171.9	-162.7	-3.6	0	0	0	109.3	K109 R113	K109-D111 PolarHBondContact O-N 3.03Å; D111-R113 PolarHBondContact O-N 3.2Å
112	P	45.3	Very low	50.5	Low	127 Å²	127	116.6 Å²	116.6	83%	0.825	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	-0.5	-170.9	-20.2	31.8	0	0	0	115.5
113	R	42.7	Very low	51	Low	237 Å²	237	118.7 Å²	118.7	89%	0.894	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.2	1.9	-169	-75.9	-175.7	173.5	174.2	-1.1	116.9	D111	D111-R113 PolarHBondContact O-N 3.2Å
114	S	41.6	Very low	51.6	Low	87 Å²	87	125 Å²	125	61%	0.608	64%	0.635	S	S	*	*			trans	-105.6	95.1	169.9	73.1	0	0	0	0	112.3	Q116	S114-Q116 PolarHBondContact O-N 3.03Å
115	R	42.7	Very low	52.5	Low	262 Å²	262	121.8 Å²	121.8	99%	0.989	62%	0.62	S	S	*	*			trans	-75.1	62.2	165.1	-84	-178.2	170.7	168.7	-2.5	111.1
116	Q	41.5	Very low	53.3	Low	172 Å²	172	114.4 Å²	114.4	80%	0.804	59%	0.589	S	S	*	*	S	Bend	trans	-108	125.8	155.7	-87	-178.6	-20.3	0	0	107.6	S114 S118	S114-Q116 PolarHBondContact O-N 3.03Å; Q116-S118 PolarHBondContact O-N 3.21Å
117	R	42.5	Very low	54.1	Low	241 Å²	241	108.3 Å²	108.3	91%	0.909	58%	0.577	S	S	*	*			trans	-49.5	111.3	-180	-77.5	174.2	166.5	174.7	-5.2	109.3	S119	R117-S119 PolarHBondContact O-N 3.46Å
118	S	47.2	Very low	55	Low	71 Å²	71	107 Å²	107	50%	0.497	57%	0.57	S	S	.	*			trans	-60.6	97.2	171.5	64.7	0	0	0	0	108.9	R10 Q116 G120	R10-S118 PolarHBondContact NH1-OG 3.3Å; R10-S118 VanDerWaalsContact NH1-OG 3.08Å; R10-S118 PolarHBondContact NH2-OG 3.49Å; R10-S118 VanDerWaalsContact NH2-OG 3.17Å; Q116-S118 PolarHBondContact O-N 3.21Å; S118-G120 PolarHBondContact O-N 2.79Å
119	S	54.9	Low	56.2	Low	94 Å²	94	104 Å²	104	66%	0.657	54%	0.54	S	S	*	.			trans	-82	31.1	170.7	59	0	0	0	0	111.3	Q22 R117	Q22-S119 PolarHBondContact NE2-O 2.8Å; Q22-S119 PolarHBondContact OE1-O 3.27Å; R117-S119 PolarHBondContact O-N 3.46Å
120	G	58.9	Low	57.4	Low	30 Å²	30	99.1 Å²	99.1	31%	0.309	52%	0.516	S	S	.	.	S	Bend	trans	-107.9	162.1	-178.9	0	0	0	0	0	111.4	S118	S118-G120 PolarHBondContact O-N 2.79Å
121	P	65.7	Low	58.7	Low	12 Å²	12	97.7 Å²	97.7	8%	0.078	50%	0.5	C	S	.	.			trans	-67.8	142.3	-177.9	28.6	-35.2	0	0	0	112.5	W12 M23 I26 E125 V126	W12-P121 HydrophobicContact CH2-CB 3.6Å; W12-P121 HydrophobicContact CH2-CG 4.3Å; W12-P121 HydrophobicContact CZ2-CB 3.92Å; W12-P121 HydrophobicContact CZ3-CB 3.97Å; M23-P121 HydrophobicContact CE-CB 3.05Å; M23-P121 HydrophobicContact CE-CG 3.47Å; M23-P121 VanDerWaalsContact CE-CG 3.47Å; I26-P121 HydrophobicContact CD1-CG 3.72Å; P121-E125 HydrophobicContact CB-CB 4.48Å; P121-V126 HydrophobicContact CB-CG2 4.1Å; P121-V126 HydrophobicContact CG-CG2 4.15Å
122	G	69.8	Low	60.1	Low	19 Å²	19	91.9 Å²	91.9	20%	0.196	47%	0.469	C	S	.	.			trans	-77.3	167	173.2	0	0	0	0	0	112.5	Q124 E125 V126	G122-Q124 PolarHBondContact O-N 3.22Å; G122-E125 WeakPolarHBondContact CA-OE2 3.41Å; G122-E125 PolarHBondContact N-OE2 2.85Å; G122-E125 VanDerWaalsContact N-OE2 3.16Å; G122-E125 PolarHBondContact O-N 3.01Å; G122-V126 WeakPolarHBondContact O-CG2 3.39Å; G122-V126 PolarHBondContact O-N 3.3Å
123	P	67	Low	61.3	Low	111 Å²	111	86.2 Å²	86.2	72%	0.721	43%	0.432	S	S	*	.	H	α-helix	trans	-64.6	-26.5	-178.8	23.7	-32.1	0	0	0	113.2	S127	P123-S127 WeakPolarHBondContact O-CB 3.27Å; P123-S127 PolarHBondContact O-N 3.17Å; P123-S127 VanDerWaalsContact O-N 3.15Å
124	Q	67.4	Low	62.6	Low	150 Å²	150	77 Å²	77	70%	0.701	40%	0.4	S	S	*	.	H	α-helix	trans	-72.7	-41.7	176.7	-72.4	-175.6	-17.3	0	0	111.6	G122 S127 D128	G122-Q124 PolarHBondContact O-N 3.22Å; Q124-S127 PolarHBondContact O-N 3.2Å; Q124-D128 WeakPolarHBondContact O-CB 3.37Å; Q124-D128 PolarHBondContact O-N 3.15Å
125	E	72.6	Confident	64	Low	32 Å²	32	76.1 Å²	76.1	15%	0.15	39%	0.386	C	S	.	.	H	α-helix	trans	-65.4	-43.2	178.3	-65.8	72.8	-164.7	0	0	111.5	W12 W14 M23 P121 G122 S127 D128 C129	W12-E125 HydrophobicContact CB-CG 3.49Å; W12-E125 VanDerWaalsContact CB-CG 3.49Å; W12-E125 HydrophobicContact CD2-CG 4.01Å; W12-E125 HydrophobicContact CG-CB 4.43Å; W12-E125 HydrophobicContact CG-CG 3.58Å; W14-E125 HydrophobicContact CH2-CB 3.9Å; W14-E125 HydrophobicContact CH2-CG 4.49Å; W14-E125 WeakPolarHBondContact CH2-O 3.33Å; W14-E125 HydrophobicContact CZ2-CB 3.84Å; W14-E125 HydrophobicContact CZ2-CG 3.98Å; M23-E125 HydrophobicContact CE-CB 4.49Å; P121-E125 HydrophobicContact CB-CB 4.48Å; G122-E125 WeakPolarHBondContact CA-OE2 3.41Å; G122-E125 PolarHBondContact N-OE2 2.85Å; G122-E125 VanDerWaalsContact N-OE2 3.16Å; G122-E125 PolarHBondContact O-N 3.01Å; E125-S127 VanDerWaalsContact C-N 3.32Å; E125-S127 PolarHBondContact O-N 3.44Å; E125-D128 PolarHBondContact O-N 3.45Å; E125-C129 WeakPolarHBondContact O-CB 3.47Å; E125-C129 PolarHBondContact O-N 3.44Å
126	V	71.1	Confident	65.3	Low	9 Å²	9	64.1 Å²	64.1	6%	0.055	34%	0.341	C	S	.	.	H	α-helix	trans	-61.1	-42.4	174.5	176.2	0	0	0	0	110.5	M23 I26 F27 L107 P121 G122 R130	M23-V126 HydrophobicContact CE-CG2 4.15Å; I26-V126 HydrophobicContact CD1-CG2 4.31Å; F27-V126 HydrophobicContact CE2-CG1 4.09Å; F27-V126 HydrophobicContact CZ-CG1 3.69Å; F27-V126 VanDerWaalsContact CZ-O 3.31Å; F27-V126 WeakPolarHBondContact CZ-O 3.41Å; L107-V126 HydrophobicContact CD1-CG2 4.34Å; P121-V126 HydrophobicContact CB-CG2 4.1Å; P121-V126 HydrophobicContact CG-CG2 4.15Å; G122-V126 WeakPolarHBondContact O-CG2 3.39Å; G122-V126 PolarHBondContact O-N 3.3Å; V126-R130 VanDerWaalsContact O-CB 3.31Å; V126-R130 WeakPolarHBondContact O-CB 3.48Å; V126-R130 PolarHBondContact O-N 3.34Å
127	S	68.9	Low	66.5	Low	72 Å²	72	57.2 Å²	57.2	50%	0.503	31%	0.31	S	S	.	.	H	α-helix	trans	-65	-41.3	176.4	-175.7	0	0	0	0	112.8	P123 Q124 E125 R130 L131	P123-S127 WeakPolarHBondContact O-CB 3.27Å; P123-S127 PolarHBondContact O-N 3.17Å; P123-S127 VanDerWaalsContact O-N 3.15Å; Q124-S127 PolarHBondContact O-N 3.2Å; E125-S127 VanDerWaalsContact C-N 3.32Å; E125-S127 PolarHBondContact O-N 3.44Å; S127-R130 PolarHBondContact O-N 2.99Å; S127-L131 WeakPolarHBondContact O-CB 2.98Å; S127-L131 PolarHBondContact O-N 3.34Å
128	D	71.6	Confident	67.6	Low	51 Å²	51	46.6 Å²	46.6	27%	0.273	27%	0.271	S	S	.	.	H	α-helix	trans	-67.1	-40.8	178.6	-92.4	-9.1	0	0	0	112	K55 Q124 E125 L131 A132	K55-D128 IonicContact NZ-OD1 3.32Å; K55-D128 PolarHBondContact NZ-OD1 3.19Å; K55-D128 IonicContact NZ-OD2 2.87Å; K55-D128 PolarHBondContact NZ-OD2 3.16Å; Q124-D128 WeakPolarHBondContact O-CB 3.37Å; Q124-D128 PolarHBondContact O-N 3.15Å; E125-D128 PolarHBondContact O-N 3.45Å; D128-L131 PolarHBondContact O-N 3Å; D128-A132 WeakPolarHBondContact O-CB 3.5Å; D128-A132 PolarHBondContact O-N 3.01Å
129	C	72.5	Confident	68.7	Low	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-64.1	-44	173.8	-166	0	0	0	0	111.5	W14 M23 F27 E125 L131 A132 L133	W14-C129 HydrophobicContact CH2-CB 4.23Å; W14-C129 HydrophobicContact CZ3-CB 4.41Å; M23-C129 HydrophobicContact SD-CB 3.81Å; F27-C129 HydrophobicContact CD2-CB 4.23Å; F27-C129 HydrophobicContact CE2-CB 3.76Å; F27-C129 HydrophobicContact CZ-CB 4.39Å; E125-C129 WeakPolarHBondContact O-CB 3.47Å; E125-C129 PolarHBondContact O-N 3.44Å; C129-L131 PolarHBondContact O-N 3.26Å; C129-A132 PolarHBondContact O-N 3.49Å; C129-L133 WeakPolarHBondContact O-CB 3.36Å; C129-L133 PolarHBondContact O-N 2.95Å
130	R	72.6	Confident	69.2	Low	78 Å²	78	45.4 Å²	45.4	29%	0.294	25%	0.25	S	C	.	.	H	α-helix	trans	-59	-44.9	174.6	-176.5	176.8	177.2	173.3	-0.2	112.2	F27 E104 V126 S127 L133 L134	F27-R130 HydrophobicContact CE1-CB 3.8Å; F27-R130 HydrophobicContact CE1-CG 4.25Å; F27-R130 HydrophobicContact CZ-CB 3.85Å; E104-R130 IonicContact OE1-NH1 2.8Å; V126-R130 VanDerWaalsContact O-CB 3.31Å; V126-R130 WeakPolarHBondContact O-CB 3.48Å; V126-R130 PolarHBondContact O-N 3.34Å; S127-R130 PolarHBondContact O-N 2.99Å; R130-L133 PolarHBondContact O-N 3.29Å; R130-L134 WeakPolarHBondContact O-CG 3.31Å; R130-L134 PolarHBondContact O-N 3.44Å
131	L	71.9	Confident	69.6	Low	74 Å²	74	46 Å²	46	39%	0.387	24%	0.244	S	C	.	.	H	α-helix	trans	-63.6	-44.4	177.9	-177.3	66.7	0	0	0	111.2	F51 S127 D128 C129 L133 L134 H135	F51-L131 HydrophobicContact CZ-CD2 4.49Å; S127-L131 WeakPolarHBondContact O-CB 2.98Å; S127-L131 PolarHBondContact O-N 3.34Å; D128-L131 PolarHBondContact O-N 3Å; C129-L131 PolarHBondContact O-N 3.26Å; L131-L133 VanDerWaalsContact C-N 3.32Å; L131-L133 PolarHBondContact O-N 2.98Å; L131-L134 PolarHBondContact O-N 3.01Å; L131-H135 PolarHBondContact O-CD2 3.49Å; L131-H135 PolarHBondContact O-N 3.47Å
132	A	73.7	Confident	69.6	Low	0 Å²	0	50 Å²	50	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-64.1	-37.5	176.7	0	0	0	0	0	112.2	F44 F48 F51 D128 C129 H135 F136	F44-A132 HydrophobicContact CE2-CB 4.38Å; F48-A132 HydrophobicContact CD2-CB 3.4Å; F48-A132 VanDerWaalsContact CD2-CB 3.4Å; F48-A132 HydrophobicContact CE2-CB 3.66Å; F51-A132 HydrophobicContact CD1-CB 3.75Å; F51-A132 HydrophobicContact CE1-CB 3.93Å; F51-A132 HydrophobicContact CG-CB 4.41Å; D128-A132 WeakPolarHBondContact O-CB 3.5Å; D128-A132 PolarHBondContact O-N 3.01Å; C129-A132 PolarHBondContact O-N 3.49Å; A132-H135 PolarHBondContact O-N 2.95Å; A132-F136 WeakPolarHBondContact O-CB 3.25Å; A132-F136 PolarHBondContact O-N 3.37Å
133	L	71.1	Confident	69.5	Low	9 Å²	9	53.6 Å²	53.6	5%	0.047	27%	0.272	C	S	.	.	H	α-helix	trans	-63.8	-44.6	175.5	-176.8	60.8	0	0	0	111.4	F27 F28 I34 F44 V98 C129 R130 L131 H135 F136 L137	F27-L133 HydrophobicContact CB-CD2 4.24Å; F27-L133 HydrophobicContact CD1-CD2 3.98Å; F27-L133 HydrophobicContact CG-CD2 4.4Å; F28-L133 HydrophobicContact CE1-CD1 3.8Å; F28-L133 HydrophobicContact CZ-CD1 3.89Å; I34-L133 HydrophobicContact CD1-CD1 3.97Å; F44-L133 HydrophobicContact CD2-CD1 3.82Å; F44-L133 VanDerWaalsContact CE2-CA 3.46Å; F44-L133 HydrophobicContact CE2-CB 3.86Å; F44-L133 HydrophobicContact CE2-CD1 3.89Å; F44-L133 HydrophobicContact CG-CD1 4.45Å; F44-L133 HydrophobicContact CZ-CB 4.3Å; V98-L133 HydrophobicContact CG2-CD2 4.12Å; C129-L133 WeakPolarHBondContact O-CB 3.36Å; C129-L133 PolarHBondContact O-N 2.95Å; R130-L133 PolarHBondContact O-N 3.29Å; L131-L133 VanDerWaalsContact C-N 3.32Å; L131-L133 PolarHBondContact O-N 2.98Å; L133-H135 VanDerWaalsContact C-N 3.32Å; L133-H135 PolarHBondContact O-N 3.39Å; L133-F136 WeakPolarHBondContact O-CB 3.32Å; L133-F136 PolarHBondContact O-N 2.9Å; L133-L137 HydrophobicContact CG-CD1 4.42Å; L133-L137 VanDerWaalsContact O-CG 3.32Å; L133-L137 WeakPolarHBondContact O-CG 3.49Å; L133-L137 PolarHBondContact O-N 3.1Å
134	L	68.6	Low	69.4	Low	42 Å²	42	51.4 Å²	51.4	22%	0.22	26%	0.26	C	S	.	.	H	α-helix	trans	-63.5	-36.9	174.7	-70.3	172.3	0	0	0	112.6	R130 L131 D138	R130-L134 WeakPolarHBondContact O-CG 3.31Å; R130-L134 PolarHBondContact O-N 3.44Å; L131-L134 PolarHBondContact O-N 3.01Å; L134-D138 WeakPolarHBondContact O-CB 3.42Å; L134-D138 PolarHBondContact O-N 2.78Å
135	H	70.9	Confident	69.6	Low	69 Å²	69	47.3 Å²	47.3	32%	0.319	24%	0.24	S	C	.	.	H	α-helix	trans	-70.7	-35.6	173.8	-80.1	-61	0	0	0	113	F47 F51 L131 A132 L133 F139	F47-H135 HydrophobicContact CE1-CB 4.15Å; F47-H135 HydrophobicContact CZ-CB 4.09Å; F51-H135 HydrophobicContact CE2-CB 4.37Å; F51-H135 AromaticContact CE2-CD2 3.67Å; F51-H135 AromaticContact CZ-CD2 3.76Å; L131-H135 PolarHBondContact O-CD2 3.49Å; L131-H135 PolarHBondContact O-N 3.47Å; A132-H135 PolarHBondContact O-N 2.95Å; L133-H135 VanDerWaalsContact C-N 3.32Å; L133-H135 PolarHBondContact O-N 3.39Å; H135-F139 WeakPolarHBondContact O-CB 3.17Å; H135-F139 PolarHBondContact O-N 3.13Å
136	F	71.7	Confident	69.5	Low	10 Å²	10	47.7 Å²	47.7	4%	0.044	25%	0.252	C	S	.	.	H	α-helix	trans	-64.6	-46.4	174.2	176.5	-109.8	0	0	0	111	I34 E43 F44 F47 A132 L133 D138 F139 S140	I34-F136 HydrophobicContact CD1-CD1 3.92Å; I34-F136 HydrophobicContact CD1-CE1 3.7Å; E43-F136 HydrophobicContact CB-CE2 4.11Å; E43-F136 HydrophobicContact CB-CZ 3.88Å; F44-F136 HydrophobicContact CB-CD1 3.94Å; F44-F136 HydrophobicContact CB-CE1 3.85Å; F44-F136 HydrophobicContact CB-CE2 4.47Å; F44-F136 HydrophobicContact CB-CG 4.3Å; F44-F136 HydrophobicContact CB-CZ 4.12Å; F44-F136 HydrophobicContact CD2-CB 3.79Å; F44-F136 AromaticContact CD2-CD1 3.84Å; F44-F136 HydrophobicContact CD2-CD1 3.84Å; F44-F136 AromaticContact CD2-CG 3.8Å; F44-F136 HydrophobicContact CD2-CG 3.8Å; F44-F136 HydrophobicContact CE2-CB 4.3Å; F44-F136 HydrophobicContact CG-CD1 4.38Å; F47-F136 HydrophobicContact CB-CD2 3.62Å; F47-F136 HydrophobicContact CB-CE2 4.08Å; F47-F136 HydrophobicContact CD1-CB 3.72Å; F47-F136 AromaticContact CD1-CD2 3.94Å; F47-F136 HydrophobicContact CD1-CD2 3.94Å; F47-F136 HydrophobicContact CD1-CG 4.28Å; F47-F136 HydrophobicContact CD2-CD2 4.09Å; F47-F136 HydrophobicContact CE1-CB 3.85Å; F47-F136 HydrophobicContact CG-CB 4.28Å; F47-F136 AromaticContact CG-CD2 3.63Å; F47-F136 HydrophobicContact CG-CD2 3.63Å; F47-F136 HydrophobicContact CG-CE2 4.49Å; F47-F136 HydrophobicContact CG-CG 4.41Å; A132-F136 WeakPolarHBondContact O-CB 3.25Å; A132-F136 PolarHBondContact O-N 3.37Å; L133-F136 WeakPolarHBondContact O-CB 3.32Å; L133-F136 PolarHBondContact O-N 2.9Å; F136-D138 PolarHBondContact O-N 3.01Å; F136-F139 PolarHBondContact O-N 2.82Å; F136-S140 WeakPolarHBondContact O-CB 3.33Å; F136-S140 PolarHBondContact O-N 2.97Å; F136-S140 PolarHBondContact O-OG 3.29Å; F136-S140 VanDerWaalsContact O-OG 3.09Å
137	L	66	Low	69.4	Low	27 Å²	27	53.6 Å²	53.6	14%	0.141	28%	0.277	C	S	.	.	H	α-helix	trans	-61.5	-44.6	176.2	-68.3	173.2	0	0	0	111.7	Y33 I34 L133 S140 Q141	Y33-L137 HydrophobicContact CD1-CD2 3.92Å; Y33-L137 HydrophobicContact CE1-CD2 3.99Å; I34-L137 HydrophobicContact CD1-CD2 3.97Å; L133-L137 HydrophobicContact CG-CD1 4.42Å; L133-L137 VanDerWaalsContact O-CG 3.32Å; L133-L137 WeakPolarHBondContact O-CG 3.49Å; L133-L137 PolarHBondContact O-N 3.1Å; L137-S140 PolarHBondContact O-N 3.32Å; L137-Q141 VanDerWaalsContact O-CB 3.29Å; L137-Q141 WeakPolarHBondContact O-CB 3.33Å; L137-Q141 PolarHBondContact O-N 3.03Å
138	D	66.2	Low	69.6	Low	19 Å²	19	52 Å²	52	10%	0.102	26%	0.263	C	S	.	.	H	α-helix	trans	-63.9	-40.4	174.6	-178.3	70.3	0	0	0	112.2	Y88 L134 F136 Q141 K142	Y88-D138 WeakPolarHBondContact CE1-OD1 3.26Å; Y88-D138 PolarHBondContact OH-OD1 3.19Å; L134-D138 WeakPolarHBondContact O-CB 3.42Å; L134-D138 PolarHBondContact O-N 2.78Å; F136-D138 PolarHBondContact O-N 3.01Å; D138-Q141 PolarHBondContact O-N 3.4Å; D138-K142 WeakPolarHBondContact O-CB 3.14Å; D138-K142 WeakPolarHBondContact O-CG 3.37Å; D138-K142 PolarHBondContact O-N 3.46Å; D138-K142 IonicContact OD1-NZ 2.94Å; D138-K142 VanDerWaalsContact OD2-CE 3.26Å; D138-K142 WeakPolarHBondContact OD2-CE 3.22Å; D138-K142 IonicContact OD2-NZ 2.66Å; D138-K142 PolarHBondContact OD2-NZ 3.43Å
139	F	68.9	Low	69.7	Low	104 Å²	104	50.3 Å²	50.3	46%	0.456	26%	0.256	S	S	.	.	H	α-helix	trans	-63.5	-46.9	175.8	174.6	-97.6	0	0	0	111.8	F47 H135 F136 Q141 K142 Q143	F47-F139 HydrophobicContact CD2-CD1 4.23Å; F47-F139 HydrophobicContact CD2-CG 4.47Å; F47-F139 HydrophobicContact CE2-CB 4.01Å; F47-F139 HydrophobicContact CE2-CD1 4.16Å; F47-F139 HydrophobicContact CE2-CD2 4.42Å; F47-F139 AromaticContact CE2-CG 3.93Å; F47-F139 HydrophobicContact CE2-CG 3.93Å; F47-F139 HydrophobicContact CZ-CB 4.42Å; H135-F139 WeakPolarHBondContact O-CB 3.17Å; H135-F139 PolarHBondContact O-N 3.13Å; F136-F139 PolarHBondContact O-N 2.82Å; F139-Q141 VanDerWaalsContact C-N 3.34Å; F139-Q141 PolarHBondContact O-N 2.97Å; F139-K142 PolarHBondContact O-N 3.06Å; F139-Q143 WeakPolarHBondContact O-CB 3.3Å; F139-Q143 PolarHBondContact O-N 3.49Å
140	S	66.7	Low	69.9	Low	35 Å²	35	56.5 Å²	56.5	25%	0.245	28%	0.283	C	S	.	.	H	α-helix	trans	-64.2	-38.3	177.1	-66.2	0	0	0	0	111.8	F136 L137 Q143 S144	F136-S140 WeakPolarHBondContact O-CB 3.33Å; F136-S140 PolarHBondContact O-N 2.97Å; F136-S140 PolarHBondContact O-OG 3.29Å; F136-S140 VanDerWaalsContact O-OG 3.09Å; L137-S140 PolarHBondContact O-N 3.32Å; S140-Q143 PolarHBondContact O-N 3.26Å; S140-S144 WeakPolarHBondContact O-CB 3.27Å; S140-S144 PolarHBondContact O-N 3.18Å; S140-S144 PolarHBondContact O-OG 3.42Å
141	Q	65.8	Low	70.2	Confident	43 Å²	43	53.4 Å²	53.4	20%	0.201	27%	0.272	C	S	.	.	H	α-helix	trans	-66.1	-45.3	173.6	-168.7	177.5	17.6	0	0	111.9	Y88 Y92 L137 D138 F139 Q143 S144 F145	Y88-Q141 PolarHBondContact OH-OE1 3.37Å; Y92-Q141 PolarHBondContact O-NE2 3.02Å; L137-Q141 VanDerWaalsContact O-CB 3.29Å; L137-Q141 WeakPolarHBondContact O-CB 3.33Å; L137-Q141 PolarHBondContact O-N 3.03Å; D138-Q141 PolarHBondContact O-N 3.4Å; F139-Q141 VanDerWaalsContact C-N 3.34Å; F139-Q141 PolarHBondContact O-N 2.97Å; Q141-Q143 VanDerWaalsContact C-N 3.33Å; Q141-Q143 PolarHBondContact O-N 3.11Å; Q141-S144 WeakPolarHBondContact CA-OG 3.48Å; Q141-S144 PolarHBondContact O-N 2.96Å; Q141-S144 PolarHBondContact O-OG 3.04Å; Q141-F145 WeakPolarHBondContact O-CB 3.18Å; Q141-F145 PolarHBondContact O-N 3.4Å
142	K	65.8	Low	70.6	Confident	97 Å²	97	53.9 Å²	53.9	42%	0.422	27%	0.269	S	S	.	.	H	α-helix	trans	-63.2	-38.6	174.4	-77.3	171.3	177	163.8	0	112.2	D138 F139 G146	D138-K142 WeakPolarHBondContact O-CB 3.14Å; D138-K142 WeakPolarHBondContact O-CG 3.37Å; D138-K142 PolarHBondContact O-N 3.46Å; D138-K142 IonicContact OD1-NZ 2.94Å; D138-K142 VanDerWaalsContact OD2-CE 3.26Å; D138-K142 WeakPolarHBondContact OD2-CE 3.22Å; D138-K142 IonicContact OD2-NZ 2.66Å; D138-K142 PolarHBondContact OD2-NZ 3.43Å; F139-K142 PolarHBondContact O-N 3.06Å; K142-G146 PolarHBondContact O-N 3.41Å
143	Q	68.1	Low	71	Confident	93 Å²	93	60.7 Å²	60.7	44%	0.435	30%	0.295	S	S	.	.	H	α-helix	trans	-66.7	-42.9	177.8	-165.1	-168.9	37.5	0	0	111.5	F139 S140 Q141 G146 K147	F139-Q143 WeakPolarHBondContact O-CB 3.3Å; F139-Q143 PolarHBondContact O-N 3.49Å; S140-Q143 PolarHBondContact O-N 3.26Å; Q141-Q143 VanDerWaalsContact C-N 3.33Å; Q141-Q143 PolarHBondContact O-N 3.11Å; Q143-G146 PolarHBondContact O-N 2.81Å; Q143-K147 VanDerWaalsContact O-CG 3.31Å; Q143-K147 WeakPolarHBondContact O-CG 3.45Å; Q143-K147 PolarHBondContact O-N 2.87Å
144	S	66.2	Low	71.4	Confident	66 Å²	66	64.4 Å²	64.4	46%	0.462	31%	0.312	S	S	.	.	H	α-helix	trans	-66.9	-42.5	175.8	56.7	0	0	0	0	112.1	S140 Q141 G146 K147 L148	S140-S144 WeakPolarHBondContact O-CB 3.27Å; S140-S144 PolarHBondContact O-N 3.18Å; S140-S144 PolarHBondContact O-OG 3.42Å; Q141-S144 WeakPolarHBondContact CA-OG 3.48Å; Q141-S144 PolarHBondContact O-N 2.96Å; Q141-S144 PolarHBondContact O-OG 3.04Å; S144-G146 PolarHBondContact O-N 3.05Å; S144-K147 PolarHBondContact O-N 3.37Å; S144-L148 WeakPolarHBondContact O-CB 3.43Å; S144-L148 PolarHBondContact O-N 3.43Å
145	F	70.1	Confident	72	Confident	64 Å²	64	63.1 Å²	63.1	28%	0.281	31%	0.305	S	S	.	.	H	α-helix	trans	-62.5	-41.8	172.9	-171.7	-95.8	0	0	0	112	L84 Q141 K147 L148 A149	L84-F145 HydrophobicContact CB-CZ 4.27Å; L84-F145 HydrophobicContact CD2-CE2 4.38Å; Q141-F145 WeakPolarHBondContact O-CB 3.18Å; Q141-F145 PolarHBondContact O-N 3.4Å; F145-K147 PolarHBondContact O-N 3.48Å; F145-L148 PolarHBondContact O-N 3.4Å; F145-A149 VanDerWaalsContact O-CB 3.31Å; F145-A149 WeakPolarHBondContact O-CB 3.48Å; F145-A149 PolarHBondContact O-N 2.94Å
146	G	72	Confident	72.7	Confident	40 Å²	40	62.1 Å²	62.1	41%	0.412	30%	0.299	S	S	.	.	H	α-helix	trans	-61.9	-41.8	175.3	0	0	0	0	0	112.8	K142 Q143 S144 K150	K142-G146 PolarHBondContact O-N 3.41Å; Q143-G146 PolarHBondContact O-N 2.81Å; S144-G146 PolarHBondContact O-N 3.05Å; G146-K150 WeakPolarHBondContact O-CB 3.35Å; G146-K150 PolarHBondContact O-N 3.43Å
147	K	69.1	Low	73.3	Confident	132 Å²	132	65.9 Å²	65.9	57%	0.574	32%	0.32	S	S	*	.	H	α-helix	trans	-62	-45.9	172.5	-73.9	171.3	-178.2	173.8	0	111.2	Q143 S144 F145 K150 L151	Q143-K147 VanDerWaalsContact O-CG 3.31Å; Q143-K147 WeakPolarHBondContact O-CG 3.45Å; Q143-K147 PolarHBondContact O-N 2.87Å; S144-K147 PolarHBondContact O-N 3.37Å; F145-K147 PolarHBondContact O-N 3.48Å; K147-K150 PolarHBondContact O-N 3.29Å; K147-L151 WeakPolarHBondContact O-CB 3.26Å; K147-L151 PolarHBondContact O-N 2.96Å
148	L	72.1	Confident	74.3	Confident	38 Å²	38	66.6 Å²	66.6	20%	0.199	32%	0.324	C	S	.	.	H	α-helix	trans	-62.7	-47.3	178.3	178.8	61.8	0	0	0	112.1	S144 F145 K150 L151 R152 L225	S144-L148 WeakPolarHBondContact O-CB 3.43Å; S144-L148 PolarHBondContact O-N 3.43Å; F145-L148 PolarHBondContact O-N 3.4Å; L148-K150 VanDerWaalsContact C-N 3.32Å; L148-K150 PolarHBondContact O-N 2.86Å; L148-L151 PolarHBondContact O-N 3.22Å; L148-R152 HydrophobicContact CD1-CG 4.29Å; L148-R152 WeakPolarHBondContact O-CG 3.24Å; L148-R152 PolarHBondContact O-N 3.41Å; L148-L225 HydrophobicContact CD1-CD1 3.65Å; L148-L225 HydrophobicContact CD1-CD2 3.84Å; L148-L225 HydrophobicContact CD1-CG 4.12Å; L148-L225 HydrophobicContact CD2-CD1 4.39Å
149	A	74.7	Confident	75.2	Confident	17 Å²	17	66.7 Å²	66.7	14%	0.14	33%	0.325	C	S	.	.	H	α-helix	trans	-61.9	-40.5	178.3	0	0	0	0	0	111.5	F145 R153	F145-A149 VanDerWaalsContact O-CB 3.31Å; F145-A149 WeakPolarHBondContact O-CB 3.48Å; F145-A149 PolarHBondContact O-N 2.94Å; A149-R153 WeakPolarHBondContact O-CB 3.44Å; A149-R153 PolarHBondContact O-N 3.42Å
150	K	76.6	Confident	76.2	Confident	130 Å²	130	61.7 Å²	61.7	57%	0.565	30%	0.303	S	S	*	.	H	α-helix	trans	-60.2	-49	173	-175.2	-177.9	176.7	-171.3	0	111.2	G146 K147 L148 R152 R153 E154	G146-K150 WeakPolarHBondContact O-CB 3.35Å; G146-K150 PolarHBondContact O-N 3.43Å; K147-K150 PolarHBondContact O-N 3.29Å; L148-K150 VanDerWaalsContact C-N 3.32Å; L148-K150 PolarHBondContact O-N 2.86Å; K150-R152 PolarHBondContact O-N 2.66Å; K150-R153 PolarHBondContact O-N 3.23Å; K150-E154 WeakPolarHBondContact CE-OE1 3.27Å; K150-E154 IonicContact NZ-OE1 2.64Å; K150-E154 WeakPolarHBondContact O-CG 3.33Å; K150-E154 PolarHBondContact O-N 3.03Å
151	L	77.8	Confident	77.4	Confident	13 Å²	13	62.4 Å²	62.4	7%	0.068	30%	0.302	C	S	.	.	H	α-helix	trans	-60.5	-46.5	179.7	-170.5	150.8	0	0	0	112	K147 L148 R153 E154 Q155 F222 E223	K147-L151 WeakPolarHBondContact O-CB 3.26Å; K147-L151 PolarHBondContact O-N 2.96Å; L148-L151 PolarHBondContact O-N 3.22Å; L151-R153 VanDerWaalsContact C-N 3.32Å; L151-R153 PolarHBondContact O-N 2.93Å; L151-E154 PolarHBondContact O-N 3.22Å; L151-Q155 HydrophobicContact CD2-CG 4.2Å; L151-Q155 WeakPolarHBondContact O-CG 3.29Å; L151-Q155 PolarHBondContact O-N 2.65Å; L151-F222 HydrophobicContact CD1-CD1 3.85Å; L151-F222 HydrophobicContact CD1-CE1 3.48Å; L151-F222 VanDerWaalsContact CD1-CE1 3.48Å; L151-F222 HydrophobicContact CD1-CZ 4.21Å; L151-E223 HydrophobicContact CD1-CG 4.36Å; L151-E223 HydrophobicContact CD2-CB 4.36Å; L151-E223 HydrophobicContact CD2-CG 4.29Å
152	R	81	Confident	78.6	Confident	83 Å²	83	68.1 Å²	68.1	31%	0.313	33%	0.329	S	S	.	.	H	α-helix	trans	-62.3	-39.5	176.4	-68.1	-57.6	-174.8	-169.1	0.7	112	L82 L84 L148 K150 Q155 K156	L82-R152 HydrophobicContact CD2-CB 4.45Å; L84-R152 HydrophobicContact CD1-CG 4.31Å; L148-R152 HydrophobicContact CD1-CG 4.29Å; L148-R152 WeakPolarHBondContact O-CG 3.24Å; L148-R152 PolarHBondContact O-N 3.41Å; K150-R152 PolarHBondContact O-N 2.66Å; R152-Q155 PolarHBondContact O-N 2.95Å; R152-K156 WeakPolarHBondContact O-CG 3.4Å; R152-K156 PolarHBondContact O-N 2.68Å
153	R	81.1	Confident	80	Confident	143 Å²	143	66.6 Å²	66.6	54%	0.54	32%	0.321	S	S	.	.	H	α-helix	trans	-64.7	-41.5	175.6	-165.3	-177.5	-68.4	148.2	-2.6	111.5	A149 K150 L151 K156 N157	A149-R153 WeakPolarHBondContact O-CB 3.44Å; A149-R153 PolarHBondContact O-N 3.42Å; K150-R153 PolarHBondContact O-N 3.23Å; L151-R153 VanDerWaalsContact C-N 3.32Å; L151-R153 PolarHBondContact O-N 2.93Å; R153-K156 PolarHBondContact O-N 3.09Å; R153-N157 WeakPolarHBondContact O-CB 3.32Å; R153-N157 PolarHBondContact O-N 3.34Å; R153-N157 VanDerWaalsContact O-N 3.13Å; R153-N157 PolarHBondContact O-ND2 3.46Å; R153-N157 PolarHBondContact O-OD1 3.36Å
154	E	79.6	Confident	81.2	Confident	88 Å²	88	66.7 Å²	66.7	41%	0.411	32%	0.317	S	S	.	.	H	α-helix	trans	-61.7	-44.4	174.9	-73.8	172.8	-177.7	0	0	112.1	K150 L151 K156 N157 L158	K150-E154 WeakPolarHBondContact CE-OE1 3.27Å; K150-E154 IonicContact NZ-OE1 2.64Å; K150-E154 WeakPolarHBondContact O-CG 3.33Å; K150-E154 PolarHBondContact O-N 3.03Å; L151-E154 PolarHBondContact O-N 3.22Å; E154-K156 PolarHBondContact O-N 2.85Å; E154-N157 WeakPolarHBondContact O-CB 3.43Å; E154-N157 PolarHBondContact O-N 3.2Å; E154-L158 PolarHBondContact O-N 3.33Å
155	Q	82.6	Confident	82.6	Confident	14 Å²	14	68.4 Å²	68.4	7%	0.065	32%	0.321	C	S	.	.	H	α-helix	trans	-60.7	-44.6	176	-73.5	-180	-31.8	0	0	112.4	L151 R152 N157 L158 E223	L151-Q155 HydrophobicContact CD2-CG 4.2Å; L151-Q155 WeakPolarHBondContact O-CG 3.29Å; L151-Q155 PolarHBondContact O-N 2.65Å; R152-Q155 PolarHBondContact O-N 2.95Å; Q155-N157 PolarHBondContact O-N 2.74Å; Q155-L158 WeakPolarHBondContact O-CB 3.17Å; Q155-L158 PolarHBondContact O-N 3.36Å; Q155-L158 VanDerWaalsContact O-N 3.11Å; Q155-E223 PolarHBondContact NE2-OE2 3Å
156	K	84.8	Confident	83.8	Confident	49 Å²	49	71.2 Å²	71.2	21%	0.213	33%	0.33	C	S	.	.	H	α-helix	trans	-65.8	-25.4	178	-69.5	-155.6	-179	-166.4	0	113.9	V80 D81 L82 R152 R153 E154 L158 F161	V80-K156 HydrophobicContact CG1-CD 3.45Å; V80-K156 VanDerWaalsContact CG1-CD 3.45Å; D81-K156 PolarHBondContact O-NZ 2.92Å; L82-K156 HydrophobicContact CD2-CD 3.62Å; L82-K156 HydrophobicContact CD2-CG 4.28Å; R152-K156 WeakPolarHBondContact O-CG 3.4Å; R152-K156 PolarHBondContact O-N 2.68Å; R153-K156 PolarHBondContact O-N 3.09Å; E154-K156 PolarHBondContact O-N 2.85Å; K156-L158 PolarHBondContact O-N 3.24Å; K156-F161 HydrophobicContact CB-CD1 4.24Å; K156-F161 HydrophobicContact CB-CE1 4.29Å; K156-F161 HydrophobicContact CB-CG 4.44Å; K156-F161 HydrophobicContact CD-CE1 3.92Å; K156-F161 HydrophobicContact CD-CE2 4.43Å; K156-F161 HydrophobicContact CD-CZ 3.79Å; K156-F161 HydrophobicContact CG-CD1 4.25Å; K156-F161 HydrophobicContact CG-CD2 4.22Å; K156-F161 HydrophobicContact CG-CE1 3.88Å; K156-F161 HydrophobicContact CG-CE2 3.85Å; K156-F161 HydrophobicContact CG-CG 4.42Å; K156-F161 HydrophobicContact CG-CZ 3.69Å
157	N	85.2	Confident	84.9	Confident	88 Å²	88	69.3 Å²	69.3	47%	0.471	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-8.1	176.7	-71.7	-16.1	0	0	0	112.8	R153 E154 Q155 R330	R153-N157 WeakPolarHBondContact O-CB 3.32Å; R153-N157 PolarHBondContact O-N 3.34Å; R153-N157 VanDerWaalsContact O-N 3.13Å; R153-N157 PolarHBondContact O-ND2 3.46Å; R153-N157 PolarHBondContact O-OD1 3.36Å; E154-N157 WeakPolarHBondContact O-CB 3.43Å; E154-N157 PolarHBondContact O-N 3.2Å; Q155-N157 PolarHBondContact O-N 2.74Å; N157-R330 PolarHBondContact O-NH1 3.17Å
158	L	85.2	Confident	86.2	Confident	42 Å²	42	63.8 Å²	63.8	22%	0.22	29%	0.287	C	S	.	.	S	Bend	trans	-74.6	135.1	174.9	-65.2	171.4	0	0	0	110.2	E154 Q155 K156 I160 F161 Q190	E154-L158 PolarHBondContact O-N 3.33Å; Q155-L158 WeakPolarHBondContact O-CB 3.17Å; Q155-L158 PolarHBondContact O-N 3.36Å; Q155-L158 VanDerWaalsContact O-N 3.11Å; K156-L158 PolarHBondContact O-N 3.24Å; L158-I160 HydrophobicContact CB-CG2 4.29Å; L158-I160 PolarHBondContact O-N 2.86Å; L158-I160 VanDerWaalsContact O-N 3.14Å; L158-F161 VanDerWaalsContact O-CB 3.22Å; L158-F161 WeakPolarHBondContact O-CB 3.31Å; L158-F161 PolarHBondContact O-N 2.9Å; L158-Q190 HydrophobicContact CD1-CG 3.62Å
159	P	86.9	Confident	87.4	Confident	21 Å²	21	66.2 Å²	66.2	14%	0.136	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-52.9	-37.9	-179.6	-28.6	34.9	0	0	0	114	F161 Q162 Y163 C185 V327 P328 R330	P159-F161 PolarHBondContact O-N 2.65Å; P159-F161 VanDerWaalsContact O-N 3.12Å; P159-Q162 PolarHBondContact O-N 3.12Å; P159-Y163 WeakPolarHBondContact O-CD2 3.41Å; P159-C185 HydrophobicContact CB-CB 4.39Å; P159-C185 HydrophobicContact CG-CB 4.42Å; P159-V327 HydrophobicContact CB-CG1 3.8Å; P159-P328 WeakPolarHBondContact CB-O 3.35Å; P159-R330 HydrophobicContact CG-CB 3.7Å
160	I	90.1	Very high	88.4	Confident	0 Å²	0	66 Å²	66	0%	0	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-64.5	-17.8	-178.9	-160.8	163.6	0	0	0	113.8	L158 Q162 Y163 R164 I167 C185 K187 Q190 V191 Y194 V327	L158-I160 HydrophobicContact CB-CG2 4.29Å; L158-I160 PolarHBondContact O-N 2.86Å; L158-I160 VanDerWaalsContact O-N 3.14Å; I160-Q162 VanDerWaalsContact C-N 3.3Å; I160-Q162 PolarHBondContact O-N 3.35Å; I160-Y163 PolarHBondContact O-N 3.45Å; I160-Y163 VanDerWaalsContact O-N 3.12Å; I160-R164 PolarHBondContact O-N 3.05Å; I160-I167 HydrophobicContact CD1-CD1 4.12Å; I160-I167 HydrophobicContact CG1-CD1 3.81Å; I160-C185 VanDerWaalsContact CB-O 3.29Å; I160-C185 WeakPolarHBondContact CB-O 3.36Å; I160-C185 WeakPolarHBondContact CG2-O 3.46Å; I160-C185 PolarHBondContact N-O 3.32Å; I160-K187 HydrophobicContact CD1-CB 4.21Å; I160-K187 HydrophobicContact CD1-CG 3.75Å; I160-Q190 HydrophobicContact CG2-CB 3.81Å; I160-Q190 HydrophobicContact CG2-CG 3.8Å; I160-V191 HydrophobicContact CD1-CG2 3.53Å; I160-Y194 HydrophobicContact CG1-CE2 4.41Å; I160-Y194 HydrophobicContact CG2-CE2 4.43Å; I160-V327 HydrophobicContact CB-CG1 4.27Å; I160-V327 HydrophobicContact CG1-CG2 4.16Å
161	F	91.1	Very high	89.4	Confident	49 Å²	49	59.9 Å²	59.9	22%	0.215	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-60.8	-38.4	-179.9	-176.5	-98.7	0	0	0	112.7	K156 L158 P159 Y163 R164 Y194	K156-F161 HydrophobicContact CB-CD1 4.24Å; K156-F161 HydrophobicContact CB-CE1 4.29Å; K156-F161 HydrophobicContact CB-CG 4.44Å; K156-F161 HydrophobicContact CD-CE1 3.92Å; K156-F161 HydrophobicContact CD-CE2 4.43Å; K156-F161 HydrophobicContact CD-CZ 3.79Å; K156-F161 HydrophobicContact CG-CD1 4.25Å; K156-F161 HydrophobicContact CG-CD2 4.22Å; K156-F161 HydrophobicContact CG-CE1 3.88Å; K156-F161 HydrophobicContact CG-CE2 3.85Å; K156-F161 HydrophobicContact CG-CG 4.42Å; K156-F161 HydrophobicContact CG-CZ 3.69Å; L158-F161 VanDerWaalsContact O-CB 3.22Å; L158-F161 WeakPolarHBondContact O-CB 3.31Å; L158-F161 PolarHBondContact O-N 2.9Å; P159-F161 PolarHBondContact O-N 2.65Å; P159-F161 VanDerWaalsContact O-N 3.12Å; F161-Y163 PolarHBondContact O-N 2.89Å; F161-R164 VanDerWaalsContact O-CB 3.32Å; F161-R164 WeakPolarHBondContact O-CB 3.3Å; F161-R164 PolarHBondContact O-N 3.16Å; F161-Y194 WeakPolarHBondContact CA-OH 3.49Å
162	Q	91.8	Very high	90.2	Very high	163 Å²	163	66 Å²	66	76%	0.762	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-63.5	-23.4	178.6	-62.8	-179.8	-0.4	0	0	112.7	P159 I160	P159-Q162 PolarHBondContact O-N 3.12Å; I160-Q162 VanDerWaalsContact C-N 3.3Å; I160-Q162 PolarHBondContact O-N 3.35Å
163	Y	93.3	Very high	90.9	Very high	66 Å²	66	67.4 Å²	67.4	26%	0.259	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-99.3	2.4	-177.3	-59.7	-89.5	0	0	0	113	P159 I160 F161 D165 R166 I167 L325 V327 P328	P159-Y163 WeakPolarHBondContact O-CD2 3.41Å; I160-Y163 PolarHBondContact O-N 3.45Å; I160-Y163 VanDerWaalsContact O-N 3.12Å; F161-Y163 PolarHBondContact O-N 2.89Å; Y163-D165 PolarHBondContact O-N 3.37Å; Y163-R166 PolarHBondContact O-N 3.21Å; Y163-I167 VanDerWaalsContact O-CG1 3.28Å; Y163-I167 WeakPolarHBondContact O-CG1 3.5Å; Y163-I167 PolarHBondContact O-N 3Å; Y163-L325 HydrophobicContact CD1-CD1 4.39Å; Y163-L325 HydrophobicContact CD1-CD2 4.14Å; Y163-L325 HydrophobicContact CD1-CG 4.39Å; Y163-L325 HydrophobicContact CG-CD2 4.19Å; Y163-V327 HydrophobicContact CD2-CG1 4.06Å; Y163-V327 HydrophobicContact CD2-CG2 4.11Å; Y163-V327 HydrophobicContact CE2-CG1 4.08Å; Y163-V327 HydrophobicContact CG-CG2 4.34Å; Y163-P328 VanDerWaalsContact OH-CD 3.3Å; Y163-P328 WeakPolarHBondContact OH-CD 3.47Å
164	R	93.8	Very high	91.6	Very high	94 Å²	94	63.8 Å²	63.8	36%	0.355	29%	0.292	S	S	.	.	H	α-helix	trans	-48.4	-55.5	-176	177.4	-169	73.6	-167.9	-6.4	112.6	I160 F161 I167 V168 Y194	I160-R164 PolarHBondContact O-N 3.05Å; F161-R164 VanDerWaalsContact O-CB 3.32Å; F161-R164 WeakPolarHBondContact O-CB 3.3Å; F161-R164 PolarHBondContact O-N 3.16Å; R164-I167 PolarHBondContact O-N 2.66Å; R164-V168 WeakPolarHBondContact O-CG2 3.24Å; R164-V168 PolarHBondContact O-N 3.16Å; R164-Y194 HydrophobicContact CB-CD2 4.06Å; R164-Y194 HydrophobicContact CB-CE1 4.35Å; R164-Y194 HydrophobicContact CB-CE2 3.85Å; R164-Y194 HydrophobicContact CB-CG 4.38Å; R164-Y194 HydrophobicContact CG-CD1 3.69Å; R164-Y194 HydrophobicContact CG-CD2 3.82Å; R164-Y194 HydrophobicContact CG-CE1 3.91Å; R164-Y194 HydrophobicContact CG-CE2 4.02Å; R164-Y194 HydrophobicContact CG-CG 3.65Å
165	D	95.1	Very high	92.3	Very high	102 Å²	102	62.7 Å²	62.7	55%	0.545	29%	0.293	S	S	.	.	H	α-helix	trans	-70.6	-36.8	-172.5	-60.7	-30.5	0	0	0	110.6	Y163 V168 E169	Y163-D165 PolarHBondContact O-N 3.37Å; D165-V168 PolarHBondContact O-N 3.11Å; D165-E169 WeakPolarHBondContact O-CB 3.18Å; D165-E169 PolarHBondContact O-N 2.98Å
166	R	95.8	Very high	93	Very high	124 Å²	124	62.6 Å²	62.6	47%	0.468	29%	0.293	S	S	.	.	H	α-helix	trans	-64.9	-39.4	174.7	-173.1	58.2	173.9	179.2	-0.5	112.8	Y163 E169 L170 L325	Y163-R166 PolarHBondContact O-N 3.21Å; R166-E169 VanDerWaalsContact CD-OE2 3.32Å; R166-E169 WeakPolarHBondContact CD-OE2 3.35Å; R166-E169 IonicContact CZ-OE2 3.85Å; R166-E169 IonicContact NE-OE2 2.81Å; R166-E169 VanDerWaalsContact NH1-CD 3.34Å; R166-E169 IonicContact NH1-OE1 2.79Å; R166-E169 PolarHBondContact NH1-OE1 3.08Å; R166-E169 IonicContact NH1-OE2 3.86Å; R166-E169 PolarHBondContact NH1-OE2 3.49Å; R166-E169 PolarHBondContact O-N 2.81Å; R166-L170 HydrophobicContact CG-CD1 4.17Å; R166-L170 HydrophobicContact CG-CG 4.46Å; R166-L170 WeakPolarHBondContact O-CB 3.48Å; R166-L170 VanDerWaalsContact O-CG 3.28Å; R166-L170 WeakPolarHBondContact O-CG 3.49Å; R166-L170 PolarHBondContact O-N 3.35Å; R166-L325 HydrophobicContact CB-CD1 4.21Å; R166-L325 HydrophobicContact CG-CD1 3.75Å
167	I	95.8	Very high	93.6	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-61.3	-50.1	175.6	-69.6	163.6	0	0	0	109.7	I160 Y163 R164 E169 L170 V171 V191 L325	I160-I167 HydrophobicContact CD1-CD1 4.12Å; I160-I167 HydrophobicContact CG1-CD1 3.81Å; Y163-I167 VanDerWaalsContact O-CG1 3.28Å; Y163-I167 WeakPolarHBondContact O-CG1 3.5Å; Y163-I167 PolarHBondContact O-N 3Å; R164-I167 PolarHBondContact O-N 2.66Å; I167-E169 VanDerWaalsContact C-N 3.33Å; I167-E169 PolarHBondContact O-N 2.87Å; I167-L170 PolarHBondContact O-N 3.16Å; I167-V171 HydrophobicContact CG2-CG2 4.46Å; I167-V171 VanDerWaalsContact O-CG2 3.28Å; I167-V171 WeakPolarHBondContact O-CG2 3.35Å; I167-V171 PolarHBondContact O-N 2.83Å; I167-V191 HydrophobicContact CD1-CG2 4.35Å; I167-V191 HydrophobicContact CG2-CG1 4.36Å; I167-L325 HydrophobicContact CD1-CD2 4.37Å; I167-L325 HydrophobicContact CG1-CD1 3.82Å; I167-L325 HydrophobicContact CG1-CD2 4.1Å
168	V	96.5	Very high	94.1	Very high	15 Å²	15	56.1 Å²	56.1	9%	0.091	26%	0.261	C	S	.	.	H	α-helix	trans	-61.7	-41.9	-179.8	173	0	0	0	0	111.5	R164 D165 R172 A198	R164-V168 WeakPolarHBondContact O-CG2 3.24Å; R164-V168 PolarHBondContact O-N 3.16Å; D165-V168 PolarHBondContact O-N 3.11Å; V168-R172 WeakPolarHBondContact O-CG 3.37Å; V168-R172 PolarHBondContact O-N 3.3Å; V168-R172 VanDerWaalsContact O-N 3.15Å; V168-A198 HydrophobicContact CB-CB 4.41Å; V168-A198 HydrophobicContact CG1-CB 3.5Å; V168-A198 HydrophobicContact CG2-CB 3.94Å
169	E	96.8	Very high	94.5	Very high	89 Å²	89	54.1 Å²	54.1	42%	0.416	25%	0.25	S	S	.	.	H	α-helix	trans	-59.5	-51.1	175.1	-174.4	-168.3	-172.6	0	0	111.5	D165 R166 I167 V171 R172 L173	D165-E169 WeakPolarHBondContact O-CB 3.18Å; D165-E169 PolarHBondContact O-N 2.98Å; R166-E169 VanDerWaalsContact CD-OE2 3.32Å; R166-E169 WeakPolarHBondContact CD-OE2 3.35Å; R166-E169 IonicContact CZ-OE2 3.85Å; R166-E169 IonicContact NE-OE2 2.81Å; R166-E169 VanDerWaalsContact NH1-CD 3.34Å; R166-E169 IonicContact NH1-OE1 2.79Å; R166-E169 PolarHBondContact NH1-OE1 3.08Å; R166-E169 IonicContact NH1-OE2 3.86Å; R166-E169 PolarHBondContact NH1-OE2 3.49Å; R166-E169 PolarHBondContact O-N 2.81Å; I167-E169 VanDerWaalsContact C-N 3.33Å; I167-E169 PolarHBondContact O-N 2.87Å; E169-V171 VanDerWaalsContact C-N 3.33Å; E169-V171 PolarHBondContact O-N 3.28Å; E169-R172 PolarHBondContact O-N 3.16Å; E169-R172 VanDerWaalsContact O-N 3.12Å; E169-L173 HydrophobicContact CG-CD1 3.91Å; E169-L173 WeakPolarHBondContact O-CG 3.37Å; E169-L173 PolarHBondContact O-N 2.99Å; E169-L173 VanDerWaalsContact O-N 3.08Å
170	L	96.5	Very high	94.7	Very high	12 Å²	12	53.2 Å²	53.2	6%	0.063	24%	0.244	C	C	.	.	H	α-helix	trans	-61.3	-39.9	-179.3	-73.5	174.5	0	0	0	112.5	R166 I167 R172 L173 H174 I177 L325	R166-L170 HydrophobicContact CG-CD1 4.17Å; R166-L170 HydrophobicContact CG-CG 4.46Å; R166-L170 WeakPolarHBondContact O-CB 3.48Å; R166-L170 VanDerWaalsContact O-CG 3.28Å; R166-L170 WeakPolarHBondContact O-CG 3.49Å; R166-L170 PolarHBondContact O-N 3.35Å; I167-L170 PolarHBondContact O-N 3.16Å; L170-R172 VanDerWaalsContact C-N 3.31Å; L170-R172 PolarHBondContact O-N 3.17Å; L170-L173 PolarHBondContact O-N 2.99Å; L170-H174 PolarHBondContact O-N 2.67Å; L170-H174 PolarHBondContact O-ND1 3.28Å; L170-I177 HydrophobicContact CB-CG2 4.09Å; L170-L325 HydrophobicContact CD1-CB 4.26Å; L170-L325 HydrophobicContact CD1-CD1 3.81Å
171	V	96.1	Very high	94.5	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.012	25%	0.247	C	C	.	.	H	α-helix	trans	-65.5	-32.8	176.7	174.6	0	0	0	0	112.1	I167 E169 I177 L195 F200 R302 I304	I167-V171 HydrophobicContact CG2-CG2 4.46Å; I167-V171 VanDerWaalsContact O-CG2 3.28Å; I167-V171 WeakPolarHBondContact O-CG2 3.35Å; I167-V171 PolarHBondContact O-N 2.83Å; E169-V171 VanDerWaalsContact C-N 3.33Å; E169-V171 PolarHBondContact O-N 3.28Å; V171-I177 HydrophobicContact CG2-CD1 3.33Å; V171-I177 HydrophobicContact CG2-CG1 3.97Å; V171-L195 HydrophobicContact CB-CD2 4.21Å; V171-L195 HydrophobicContact CG1-CD2 3.94Å; V171-L195 HydrophobicContact CG2-CD2 4.11Å; V171-F200 HydrophobicContact CG1-CE1 4.3Å; V171-F200 HydrophobicContact CG1-CE2 4.32Å; V171-F200 HydrophobicContact CG1-CZ 3.83Å; V171-R302 HydrophobicContact CG1-CB 4.04Å; V171-R302 HydrophobicContact CG1-CG 4.18Å; V171-R302 WeakPolarHBondContact O-CD 3.43Å; V171-R302 PolarHBondContact O-NE 3.09Å; V171-R302 VanDerWaalsContact O-NE 3.09Å; V171-I304 HydrophobicContact CG1-CD1 4.24Å; V171-I304 HydrophobicContact CG2-CD1 3.51Å; V171-I304 HydrophobicContact CG2-CG1 3.98Å
172	R	95.3	Very high	93.8	Very high	142 Å²	142	54.4 Å²	54.4	54%	0.536	25%	0.254	S	S	.	.	H	α-helix	trans	-70.8	-40.7	175.2	-73	177	177.2	171.8	-0.9	111.5	V168 E169 L170 A198 F200 R302	V168-R172 WeakPolarHBondContact O-CG 3.37Å; V168-R172 PolarHBondContact O-N 3.3Å; V168-R172 VanDerWaalsContact O-N 3.15Å; E169-R172 PolarHBondContact O-N 3.16Å; E169-R172 VanDerWaalsContact O-N 3.12Å; L170-R172 VanDerWaalsContact C-N 3.31Å; L170-R172 PolarHBondContact O-N 3.17Å; R172-A198 PolarHBondContact NH2-O 2.75Å; R172-F200 HydrophobicContact CG-CE2 4.28Å; R172-F200 HydrophobicContact CG-CZ 3.74Å; R172-R302 PolarHBondContact O-NH2 3.03Å
173	L	95.4	Very high	93	Very high	112 Å²	112	48.1 Å²	48.1	59%	0.586	23%	0.227	S	C	*	.	H	α-helix	trans	-79.9	-34.5	-174	-68.3	174.4	0	0	0	114.5	E169 L170	E169-L173 HydrophobicContact CG-CD1 3.91Å; E169-L173 WeakPolarHBondContact O-CG 3.37Å; E169-L173 PolarHBondContact O-N 2.99Å; E169-L173 VanDerWaalsContact O-N 3.08Å; L170-L173 PolarHBondContact O-N 2.99Å
174	H	95.6	Very high	92.1	Very high	67 Å²	67	47.7 Å²	47.7	31%	0.31	24%	0.243	S	C	.	.			trans	-120.3	140.7	-171.6	-55	84.8	0	0	0	111.3	L170 V176 I177 R302 P323	L170-H174 PolarHBondContact O-N 2.67Å; L170-H174 PolarHBondContact O-ND1 3.28Å; H174-V176 VanDerWaalsContact C-N 3.3Å; H174-V176 PolarHBondContact O-N 3.35Å; H174-I177 HydrophobicContact CB-CG2 3.98Å; H174-R302 WeakPolarHBondContact O-CD 3.38Å; H174-P323 HydrophobicContact CB-CG 4.03Å
175	P	94.8	Very high	91.4	Very high	66 Å²	66	43.2 Å²	43.2	43%	0.429	23%	0.226	S	C	.	.	S	Bend	trans	-67.6	-31.3	177.4	27	-34	0	0	0	112.4	R302 L303	P175-R302 WeakPolarHBondContact O-CA 3.29Å; P175-L303 PolarHBondContact O-N 3.2Å
176	V	97.3	Very high	90.9	Very high	11 Å²	11	38.8 Å²	38.8	7%	0.067	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	136.3	178.2	-169.8	0	0	0	0	109.5	H174 L295 L303 F319 A322 P323	H174-V176 VanDerWaalsContact C-N 3.3Å; H174-V176 PolarHBondContact O-N 3.35Å; V176-L295 HydrophobicContact CG2-CD1 3.49Å; V176-L295 VanDerWaalsContact CG2-CD1 3.49Å; V176-L303 CarbonylContact C-O 3.47Å; V176-L303 VanDerWaalsContact CA-O 3.3Å; V176-L303 WeakPolarHBondContact CA-O 3.32Å; V176-L303 HydrophobicContact CG1-CB 4.34Å; V176-L303 HydrophobicContact CG1-CD2 4.23Å; V176-L303 HydrophobicContact CG1-CG 4.29Å; V176-L303 HydrophobicContact CG2-CB 4.22Å; V176-L303 HydrophobicContact CG2-CD2 4.4Å; V176-F319 HydrophobicContact CB-CB 4.39Å; V176-F319 HydrophobicContact CG1-CB 3.94Å; V176-F319 HydrophobicContact CG1-CD1 4.18Å; V176-F319 HydrophobicContact CG1-CD2 4.42Å; V176-F319 HydrophobicContact CG1-CG 3.94Å; V176-F319 HydrophobicContact CG2-CB 4.47Å; V176-F319 HydrophobicContact CG2-CD1 4.02Å; V176-F319 HydrophobicContact CG2-CG 4.49Å; V176-A322 HydrophobicContact CB-CB 4.03Å; V176-A322 HydrophobicContact CG1-CB 3.96Å; V176-P323 WeakPolarHBondContact O-CD 3.21Å
177	I	96.6	Very high	90.7	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.01	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	151.7	169.9	69.7	155.7	0	0	0	110.5	L170 V171 H174 V179 L303 I304 L305 P323	L170-I177 HydrophobicContact CB-CG2 4.09Å; V171-I177 HydrophobicContact CG2-CD1 3.33Å; V171-I177 HydrophobicContact CG2-CG1 3.97Å; H174-I177 HydrophobicContact CB-CG2 3.98Å; I177-V179 HydrophobicContact CD1-CG2 3.78Å; I177-V179 HydrophobicContact CG1-CG2 4.47Å; I177-L303 PolarHBondContact N-O 3.33Å; I177-I304 HydrophobicContact CD1-CG1 4.28Å; I177-I304 HydrophobicContact CD1-CG2 4.2Å; I177-I304 HydrophobicContact CG1-CB 4.26Å; I177-I304 HydrophobicContact CG1-CG1 3.9Å; I177-I304 HydrophobicContact CG1-CG2 4.04Å; I177-L305 PolarHBondContact O-N 3.37Å; I177-P323 HydrophobicContact CB-CG 4.42Å; I177-P323 HydrophobicContact CG2-CG 3.94Å
178	V	96.1	Very high	90.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	120.4	173.7	-168.2	0	0	0	0	109.8	L305 I312 F315 A322 P323 V324 L325	V178-L305 CarbonylContact C-O 3.6Å; V178-L305 WeakPolarHBondContact CA-O 3.43Å; V178-L305 HydrophobicContact CG1-CB 4.21Å; V178-L305 HydrophobicContact CG2-CB 4.32Å; V178-L305 HydrophobicContact CG2-CD1 4.21Å; V178-I312 HydrophobicContact CB-CG2 4.13Å; V178-I312 HydrophobicContact CG1-CG2 3.49Å; V178-I312 VanDerWaalsContact CG1-CG2 3.49Å; V178-F315 HydrophobicContact CG2-CB 4.47Å; V178-A322 HydrophobicContact CG2-CB 4.37Å; V178-P323 PolarHBondContact N-O 3.18Å; V178-V324 HydrophobicContact CB-CG2 4.26Å; V178-V324 CarbonylContact O-C 3.52Å; V178-V324 WeakPolarHBondContact O-CA 3.33Å; V178-L325 PolarHBondContact O-N 3.35Å
179	V	94.5	Very high	90.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	108.8	177	-176.9	0	0	0	0	108.8	I177 K187 I304 L305 M306 S307 L325	I177-V179 HydrophobicContact CD1-CG2 3.78Å; I177-V179 HydrophobicContact CG1-CG2 4.47Å; V179-K187 HydrophobicContact CG1-CD 4.25Å; V179-K187 HydrophobicContact CG1-CG 4.17Å; V179-I304 HydrophobicContact CG2-CG2 4.03Å; V179-L305 PolarHBondContact N-O 2.73Å; V179-M306 HydrophobicContact CB-CG 4.37Å; V179-M306 WeakPolarHBondContact O-CA 3.38Å; V179-S307 PolarHBondContact O-N 2.88Å; V179-L325 HydrophobicContact CG1-CD2 4.34Å
180	A	90.8	Very high	90	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.008	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	145.8	-180	0	0	0	0	0	111.4	S307 I312 L325 Q326 V327	A180-S307 WeakPolarHBondContact CA-O 3.39Å; A180-I312 HydrophobicContact CB-CD1 3.19Å; A180-I312 HydrophobicContact CB-CG1 3.58Å; A180-I312 HydrophobicContact CB-CG2 4.26Å; A180-L325 PolarHBondContact N-O 3.06Å; A180-Q326 CarbonylContact O-C 3.56Å; A180-Q326 WeakPolarHBondContact O-CA 3.34Å; A180-V327 PolarHBondContact O-N 2.82Å
181	G	85.6	Confident	89.9	Confident	6 Å²	6	30 Å²	30	6%	0.062	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.7	155.7	168.7	0	0	0	0	0	111.7	K187 S307 A308 V327	G181-K187 VanDerWaalsContact O-CE 3.26Å; G181-K187 WeakPolarHBondContact O-CE 3.39Å; G181-K187 PolarHBondContact O-NZ 3.45Å; G181-S307 PolarHBondContact N-O 3.17Å; G181-A308 WeakPolarHBondContact O-CA 3.45Å; G181-V327 VanDerWaalsContact CA-O 3.27Å; G181-V327 WeakPolarHBondContact CA-O 3.49Å
182	D	76.9	Confident	89.9	Confident	68 Å²	68	29.9 Å²	29.9	36%	0.364	17%	0.171	S	C	.	.			trans	-62.2	164.2	-171.9	-61.6	-36.9	0	0	0	113.6	G184 C185 K187 G329	D182-G184 PolarHBondContact O-N 2.73Å; D182-C185 WeakPolarHBondContact O-CB 3.44Å; D182-C185 PolarHBondContact O-N 3.18Å; D182-C185 PolarHBondContact O-SG 3.18Å; D182-K187 PolarHBondContact O-NZ 2.95Å; D182-G329 WeakPolarHBondContact OD2-CA 3.25Å
183	T	74.7	Confident	89.9	Confident	31 Å²	31	23.7 Å²	23.7	19%	0.19	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	135.6	173.3	68.5	0	0	0	0	110.8	A308 R490	T183-A308 HydrophobicContact CG2-CB 4.1Å; T183-R490 PolarHBondContact OG1-NH2 2.98Å
184	G	73.4	Confident	89.9	Confident	57 Å²	57	19.2 Å²	19.2	59%	0.588	12%	0.123	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.2	-4.5	-177.4	0	0	0	0	0	115.7	D182 G186	D182-G184 PolarHBondContact O-N 2.73Å; G184-G186 PolarHBondContact O-N 3.37Å
185	C	80.4	Confident	89.9	Confident	0 Å²	0	16 Å²	16	0%	0	11%	0.109	C	C	.	.	S	Bend	trans	-72.1	-15.8	175.8	69.1	0	0	0	0	114.3	P159 I160 D182 K187 V327	P159-C185 HydrophobicContact CB-CB 4.39Å; P159-C185 HydrophobicContact CG-CB 4.42Å; I160-C185 VanDerWaalsContact CB-O 3.29Å; I160-C185 WeakPolarHBondContact CB-O 3.36Å; I160-C185 WeakPolarHBondContact CG2-O 3.46Å; I160-C185 PolarHBondContact N-O 3.32Å; D182-C185 WeakPolarHBondContact O-CB 3.44Å; D182-C185 PolarHBondContact O-N 3.18Å; D182-C185 PolarHBondContact O-SG 3.18Å; C185-K187 VanDerWaalsContact SG-CG 3.52Å; C185-K187 PolarHBondContact SG-NZ 2.63Å; C185-V327 HydrophobicContact CB-CG1 4.18Å
186	G	84.8	Confident	89.7	Confident	10 Å²	10	14.6 Å²	14.6	10%	0.103	10%	0.097	C	C	.	.	S	Bend	trans	103.4	8.3	174	0	0	0	0	0	116.7	G184 S188 T189 Q190	G184-G186 PolarHBondContact O-N 3.37Å; G186-S188 PolarHBondContact O-N 3.16Å; G186-T189 PolarHBondContact O-N 3.2Å; G186-T189 PolarHBondContact O-OG1 3.4Å; G186-Q190 VanDerWaalsContact O-CB 3.27Å; G186-Q190 WeakPolarHBondContact O-CB 3.23Å; G186-Q190 VanDerWaalsContact O-CG 3.3Å; G186-Q190 WeakPolarHBondContact O-CG 3.48Å; G186-Q190 PolarHBondContact O-N 3.36Å
187	K	90.5	Very high	89.4	Confident	8 Å²	8	19.1 Å²	19.1	4%	0.035	13%	0.129	C	C	.	.	H	α-helix	trans	-46.8	-64.6	-179.5	-69.3	175	-40.1	-64.4	0	113.9	I160 V179 G181 D182 C185 T189 Q190 V191 M306 S307	I160-K187 HydrophobicContact CD1-CB 4.21Å; I160-K187 HydrophobicContact CD1-CG 3.75Å; V179-K187 HydrophobicContact CG1-CD 4.25Å; V179-K187 HydrophobicContact CG1-CG 4.17Å; G181-K187 VanDerWaalsContact O-CE 3.26Å; G181-K187 WeakPolarHBondContact O-CE 3.39Å; G181-K187 PolarHBondContact O-NZ 3.45Å; D182-K187 PolarHBondContact O-NZ 2.95Å; C185-K187 VanDerWaalsContact SG-CG 3.52Å; C185-K187 PolarHBondContact SG-NZ 2.63Å; K187-T189 PolarHBondContact O-N 3.24Å; K187-Q190 PolarHBondContact O-N 2.9Å; K187-V191 WeakPolarHBondContact O-CB 3.3Å; K187-V191 WeakPolarHBondContact O-CG2 3.46Å; K187-V191 PolarHBondContact O-N 3.21Å; K187-M306 HydrophobicContact CB-SD 3.98Å; K187-S307 VanDerWaalsContact CE-O 3.31Å; K187-S307 WeakPolarHBondContact CE-O 3.39Å
188	S	90.6	Very high	89.2	Confident	19 Å²	19	20.3 Å²	20.3	13%	0.133	14%	0.139	C	C	.	.	H	α-helix	trans	-63.6	-25	-172	-41.8	0	0	0	0	114.2	G186 D275	G186-S188 PolarHBondContact O-N 3.16Å; S188-D275 WeakPolarHBondContact CB-OD2 3.17Å; S188-D275 PolarHBondContact OG-OD2 3.23Å
189	T	90.7	Very high	89	Confident	24 Å²	24	23.3 Å²	23.3	15%	0.147	17%	0.17	C	C	.	.	H	α-helix	trans	-95	-40.9	178	54.9	0	0	0	0	112.5	G186 K187 Q193 L216 R219 V220	G186-T189 PolarHBondContact O-N 3.2Å; G186-T189 PolarHBondContact O-OG1 3.4Å; K187-T189 PolarHBondContact O-N 3.24Å; T189-Q193 WeakPolarHBondContact O-CG 3.2Å; T189-Q193 PolarHBondContact O-NE2 3.07Å; T189-L216 HydrophobicContact CG2-CD2 3.69Å; T189-R219 HydrophobicContact CG2-CG 4.17Å; T189-V220 HydrophobicContact CG2-CG2 4.47Å
190	Q	93.3	Very high	88.9	Confident	3 Å²	3	24.2 Å²	24.2	1%	0.014	17%	0.174	C	C	.	.	H	α-helix	trans	-92.3	-38.1	-169	-55.1	-49.3	-71.2	0	0	113.8	L158 I160 G186 K187 Q193 Y194 E223	L158-Q190 HydrophobicContact CD1-CG 3.62Å; I160-Q190 HydrophobicContact CG2-CB 3.81Å; I160-Q190 HydrophobicContact CG2-CG 3.8Å; G186-Q190 VanDerWaalsContact O-CB 3.27Å; G186-Q190 WeakPolarHBondContact O-CB 3.23Å; G186-Q190 VanDerWaalsContact O-CG 3.3Å; G186-Q190 WeakPolarHBondContact O-CG 3.48Å; G186-Q190 PolarHBondContact O-N 3.36Å; K187-Q190 PolarHBondContact O-N 2.9Å; Q190-Q193 WeakPolarHBondContact O-CB 3.43Å; Q190-Q193 PolarHBondContact O-N 2.86Å; Q190-Y194 HydrophobicContact CB-CD2 4.45Å; Q190-Y194 HydrophobicContact CB-CE1 3.97Å; Q190-Y194 HydrophobicContact CB-CE2 3.79Å; Q190-Y194 WeakPolarHBondContact O-CD1 3.19Å; Q190-Y194 PolarHBondContact O-N 2.99Å; Q190-E223 PolarHBondContact NE2-OE2 2.93Å
191	V	95.8	Very high	88.8	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-56.5	-48	-178.5	175.7	0	0	0	0	111.7	I160 I167 K187 Q193 Y194 L195 I273 I304 M306	I160-V191 HydrophobicContact CD1-CG2 3.53Å; I167-V191 HydrophobicContact CD1-CG2 4.35Å; I167-V191 HydrophobicContact CG2-CG1 4.36Å; K187-V191 WeakPolarHBondContact O-CB 3.3Å; K187-V191 WeakPolarHBondContact O-CG2 3.46Å; K187-V191 PolarHBondContact O-N 3.21Å; V191-Q193 VanDerWaalsContact C-N 3.28Å; V191-Q193 PolarHBondContact O-N 2.95Å; V191-Y194 PolarHBondContact O-N 2.95Å; V191-L195 HydrophobicContact CG1-CD1 4.15Å; V191-L195 WeakPolarHBondContact O-CG 3.32Å; V191-L195 PolarHBondContact O-N 3.02Å; V191-I273 HydrophobicContact CG1-CD1 4.45Å; V191-I304 HydrophobicContact CG1-CD1 4.4Å; V191-I304 HydrophobicContact CG1-CG2 4.48Å; V191-M306 HydrophobicContact CB-SD 3.93Å; V191-M306 HydrophobicContact CG1-SD 4.2Å; V191-M306 HydrophobicContact CG2-SD 3.98Å
192	P	95.7	Very high	89.1	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-60.9	-36.2	176.4	-22	33.7	0	0	0	113.2	L196 L248 F250 I273	P192-L196 WeakPolarHBondContact O-CB 3.49Å; P192-L196 PolarHBondContact O-N 3.39Å; P192-L248 HydrophobicContact CB-CD1 3.76Å; P192-L248 HydrophobicContact CB-CD2 3.58Å; P192-L248 HydrophobicContact CB-CG 4.34Å; P192-F250 HydrophobicContact CB-CZ 4.39Å; P192-F250 HydrophobicContact CG-CE1 4.44Å; P192-F250 HydrophobicContact CG-CZ 4.19Å; P192-I273 HydrophobicContact CB-CD1 4.19Å; P192-I273 HydrophobicContact CG-CD1 3.89Å
193	Q	93.8	Very high	90.1	Very high	13 Å²	13	27 Å²	27	6%	0.061	19%	0.187	C	C	.	.	H	α-helix	trans	-68.6	-38	178.2	-69.7	-177.7	72.4	0	0	112.2	T189 Q190 V191 L196 S197 V220 E223	T189-Q193 WeakPolarHBondContact O-CG 3.2Å; T189-Q193 PolarHBondContact O-NE2 3.07Å; Q190-Q193 WeakPolarHBondContact O-CB 3.43Å; Q190-Q193 PolarHBondContact O-N 2.86Å; V191-Q193 VanDerWaalsContact C-N 3.28Å; V191-Q193 PolarHBondContact O-N 2.95Å; Q193-L196 PolarHBondContact O-N 3.33Å; Q193-S197 WeakPolarHBondContact O-CB 3.42Å; Q193-S197 PolarHBondContact O-N 3.04Å; Q193-S197 PolarHBondContact O-OG 3.48Å; Q193-V220 HydrophobicContact CG-CG1 3.64Å; Q193-E223 PolarHBondContact NE2-OE2 3.48Å
194	Y	95.5	Very high	91.2	Very high	18 Å²	18	25.5 Å²	25.5	7%	0.071	18%	0.178	C	C	.	.	H	α-helix	trans	-64	-43.5	177.5	-60.6	-20.8	0	0	0	111.3	I160 F161 R164 Q190 V191 S197 A198	I160-Y194 HydrophobicContact CG1-CE2 4.41Å; I160-Y194 HydrophobicContact CG2-CE2 4.43Å; F161-Y194 WeakPolarHBondContact CA-OH 3.49Å; R164-Y194 HydrophobicContact CB-CD2 4.06Å; R164-Y194 HydrophobicContact CB-CE1 4.35Å; R164-Y194 HydrophobicContact CB-CE2 3.85Å; R164-Y194 HydrophobicContact CB-CG 4.38Å; R164-Y194 HydrophobicContact CG-CD1 3.69Å; R164-Y194 HydrophobicContact CG-CD2 3.82Å; R164-Y194 HydrophobicContact CG-CE1 3.91Å; R164-Y194 HydrophobicContact CG-CE2 4.02Å; R164-Y194 HydrophobicContact CG-CG 3.65Å; Q190-Y194 HydrophobicContact CB-CD2 4.45Å; Q190-Y194 HydrophobicContact CB-CE1 3.97Å; Q190-Y194 HydrophobicContact CB-CE2 3.79Å; Q190-Y194 WeakPolarHBondContact O-CD1 3.19Å; Q190-Y194 PolarHBondContact O-N 2.99Å; V191-Y194 PolarHBondContact O-N 2.95Å; Y194-S197 PolarHBondContact O-N 3.24Å; Y194-A198 VanDerWaalsContact O-CB 3.27Å; Y194-A198 WeakPolarHBondContact O-CB 3.46Å; Y194-A198 PolarHBondContact O-N 2.92Å
195	L	95.8	Very high	92.3	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-64.8	-46.9	177	-62.8	168.8	0	0	0	111.6	V171 V191 S197 A198 G199 F200 I203 V271 I273 I304	V171-L195 HydrophobicContact CB-CD2 4.21Å; V171-L195 HydrophobicContact CG1-CD2 3.94Å; V171-L195 HydrophobicContact CG2-CD2 4.11Å; V191-L195 HydrophobicContact CG1-CD1 4.15Å; V191-L195 WeakPolarHBondContact O-CG 3.32Å; V191-L195 PolarHBondContact O-N 3.02Å; L195-S197 VanDerWaalsContact C-N 3.26Å; L195-S197 PolarHBondContact O-N 2.99Å; L195-A198 PolarHBondContact O-N 3.5Å; L195-A198 VanDerWaalsContact O-N 3.1Å; L195-G199 PolarHBondContact O-N 3.33Å; L195-F200 HydrophobicContact CB-CB 4.27Å; L195-F200 HydrophobicContact CB-CD2 4.04Å; L195-F200 HydrophobicContact CB-CG 4.45Å; L195-F200 HydrophobicContact CD2-CD2 3.81Å; L195-F200 HydrophobicContact CD2-CE2 3.85Å; L195-F200 WeakPolarHBondContact O-CB 3.42Å; L195-F200 WeakPolarHBondContact O-CD2 3.38Å; L195-F200 PolarHBondContact O-N 2.99Å; L195-F200 VanDerWaalsContact O-N 3.1Å; L195-I203 HydrophobicContact CB-CD1 3.72Å; L195-V271 HydrophobicContact CD1-CG1 4.17Å; L195-I273 HydrophobicContact CD1-CD1 3.8Å; L195-I273 HydrophobicContact CD1-CG1 4.42Å; L195-I304 HydrophobicContact CD1-CD1 3.46Å; L195-I304 VanDerWaalsContact CD1-CD1 3.46Å; L195-I304 HydrophobicContact CD2-CD1 4.28Å; L195-I304 HydrophobicContact CG-CD1 4.43Å
196	L	92.1	Very high	93.1	Very high	36 Å²	36	22.8 Å²	22.8	19%	0.188	15%	0.15	C	C	.	.	H	α-helix	trans	-60	-38.4	177	-174.4	65.1	0	0	0	111.8	P192 Q193 G199 I203 V232 K247	P192-L196 WeakPolarHBondContact O-CB 3.49Å; P192-L196 PolarHBondContact O-N 3.39Å; Q193-L196 PolarHBondContact O-N 3.33Å; L196-G199 PolarHBondContact O-N 3.49Å; L196-I203 HydrophobicContact CB-CD1 4.17Å; L196-V232 HydrophobicContact CD2-CG2 4.39Å; L196-K247 HydrophobicContact CD1-CB 3.74Å; L196-K247 HydrophobicContact CD1-CD 4.22Å
197	S	90.4	Very high	93.6	Very high	106 Å²	106	22.5 Å²	22.5	74%	0.741	15%	0.146	S	C	*	.	H	α-helix	trans	-72.4	-29.9	177	-55.5	0	0	0	0	112.7	Q193 Y194 L195 G199	Q193-S197 WeakPolarHBondContact O-CB 3.42Å; Q193-S197 PolarHBondContact O-N 3.04Å; Q193-S197 PolarHBondContact O-OG 3.48Å; Y194-S197 PolarHBondContact O-N 3.24Å; L195-S197 VanDerWaalsContact C-N 3.26Å; L195-S197 PolarHBondContact O-N 2.99Å; S197-G199 PolarHBondContact O-N 3.46Å
198	A	92.9	Very high	93.3	Very high	27 Å²	27	23.4 Å²	23.4	22%	0.223	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	2.9	177.5	0	0	0	0	0	114	V168 R172 Y194 L195 F200	V168-A198 HydrophobicContact CB-CB 4.41Å; V168-A198 HydrophobicContact CG1-CB 3.5Å; V168-A198 HydrophobicContact CG2-CB 3.94Å; R172-A198 PolarHBondContact NH2-O 2.75Å; Y194-A198 VanDerWaalsContact O-CB 3.27Å; Y194-A198 WeakPolarHBondContact O-CB 3.46Å; Y194-A198 PolarHBondContact O-N 2.92Å; L195-A198 PolarHBondContact O-N 3.5Å; L195-A198 VanDerWaalsContact O-N 3.1Å; A198-F200 HydrophobicContact CB-CD2 4.17Å; A198-F200 HydrophobicContact CB-CE2 4.37Å
199	G	91.4	Very high	93	Very high	63 Å²	63	26 Å²	26	65%	0.649	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	95	0.4	175.8	0	0	0	0	0	115.1	L195 L196 S197	L195-G199 PolarHBondContact O-N 3.33Å; L196-G199 PolarHBondContact O-N 3.49Å; S197-G199 PolarHBondContact O-N 3.46Å
200	F	92.2	Very high	92.7	Very high	18 Å²	18	29.5 Å²	29.5	8%	0.079	17%	0.17	C	C	.	.			trans	-65.2	143.4	171.4	-67.4	-84.1	0	0	0	110	V171 R172 L195 A198 I203 V271	V171-F200 HydrophobicContact CG1-CE1 4.3Å; V171-F200 HydrophobicContact CG1-CE2 4.32Å; V171-F200 HydrophobicContact CG1-CZ 3.83Å; R172-F200 HydrophobicContact CG-CE2 4.28Å; R172-F200 HydrophobicContact CG-CZ 3.74Å; L195-F200 HydrophobicContact CB-CB 4.27Å; L195-F200 HydrophobicContact CB-CD2 4.04Å; L195-F200 HydrophobicContact CB-CG 4.45Å; L195-F200 HydrophobicContact CD2-CD2 3.81Å; L195-F200 HydrophobicContact CD2-CE2 3.85Å; L195-F200 WeakPolarHBondContact O-CB 3.42Å; L195-F200 WeakPolarHBondContact O-CD2 3.38Å; L195-F200 PolarHBondContact O-N 2.99Å; L195-F200 VanDerWaalsContact O-N 3.1Å; A198-F200 HydrophobicContact CB-CD2 4.17Å; A198-F200 HydrophobicContact CB-CE2 4.37Å; F200-I203 HydrophobicContact CB-CD1 4.08Å; F200-I203 HydrophobicContact CB-CG1 4.26Å; F200-V271 HydrophobicContact CB-CG2 4.26Å; F200-V271 HydrophobicContact CD1-CG2 3.58Å; F200-V271 HydrophobicContact CE1-CG2 4.16Å; F200-V271 HydrophobicContact CG-CG2 4.1Å
201	S	88.1	Confident	91.8	Very high	36 Å²	36	34 Å²	34	25%	0.252	19%	0.193	S	C	.	.			trans	-128.7	164.6	176.4	61.7	0	0	0	0	109.5	I203 Q270	S201-I203 PolarHBondContact O-N 3.47Å; S201-Q270 WeakPolarHBondContact O-CB 3.48Å; S201-Q270 PolarHBondContact O-OE1 3.44Å
202	H	92.8	Very high	91.2	Very high	97 Å²	97	34.6 Å²	34.6	45%	0.449	20%	0.198	S	C	.	.	S	Bend	trans	55.8	53.9	179.5	-55.9	-76.5	0	0	0	113.1	K247 Q268 Y269 Q270	H202-K247 CarbonylContact C-O 3.59Å; H202-K247 WeakPolarHBondContact CA-O 3.38Å; H202-K247 PolarHBondContact N-O 3.38Å; H202-K247 VanDerWaalsContact N-O 3.07Å; H202-Q268 VanDerWaalsContact CB-O 3.3Å; H202-Q268 WeakPolarHBondContact CB-O 3.19Å; H202-Y269 WeakPolarHBondContact O-CA 3.36Å; H202-Q270 PolarHBondContact O-N 3.03Å
203	I	97.3	Very high	90.8	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	123.1	179.6	-55.9	162.1	0	0	0	108.6	L195 L196 F200 S201 K247 L248 L249 V271 I273	L195-I203 HydrophobicContact CB-CD1 3.72Å; L196-I203 HydrophobicContact CB-CD1 4.17Å; F200-I203 HydrophobicContact CB-CD1 4.08Å; F200-I203 HydrophobicContact CB-CG1 4.26Å; S201-I203 PolarHBondContact O-N 3.47Å; I203-K247 PolarHBondContact N-O 3.42Å; I203-L248 HydrophobicContact CB-CD1 3.8Å; I203-L248 HydrophobicContact CG2-CD1 3.64Å; I203-L248 WeakPolarHBondContact O-CA 3.48Å; I203-L249 PolarHBondContact O-N 3.02Å; I203-V271 WeakPolarHBondContact CA-O 3.44Å; I203-V271 HydrophobicContact CG1-CB 4.27Å; I203-V271 HydrophobicContact CG1-CG2 4.49Å; I203-V271 HydrophobicContact CG2-CB 4.34Å; I203-I273 HydrophobicContact CG2-CD1 3.81Å; I203-I273 HydrophobicContact CG2-CG1 4.2Å
204	A	97.7	Very high	90.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	130.9	169.1	0	0	0	0	0	109.7	L249 L251 Y269 V271 V272 I273	A204-L249 CarbonylContact C-O 3.5Å; A204-L249 WeakPolarHBondContact CA-O 3.21Å; A204-L251 HydrophobicContact CB-CD2 3.9Å; A204-Y269 HydrophobicContact CB-CD1 3.71Å; A204-Y269 HydrophobicContact CB-CD2 4Å; A204-Y269 HydrophobicContact CB-CE1 3.83Å; A204-Y269 HydrophobicContact CB-CE2 4.12Å; A204-Y269 HydrophobicContact CB-CG 3.82Å; A204-V271 PolarHBondContact N-O 2.89Å; A204-V272 HydrophobicContact CB-CG2 4.33Å; A204-V272 CarbonylContact O-C 3.52Å; A204-V272 WeakPolarHBondContact O-CA 3.41Å; A204-I273 PolarHBondContact O-N 3.34Å
205	C	97.8	Very high	89.6	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	111	171.4	-173.4	0	0	0	0	109.6	L249 F250 L251 I273	C205-L249 PolarHBondContact N-O 2.91Å; C205-F250 HydrophobicContact CB-CD1 3.71Å; C205-F250 HydrophobicContact CB-CE1 3.8Å; C205-F250 HydrophobicContact CB-CG 4.42Å; C205-F250 CarbonylContact O-C 3.47Å; C205-F250 VanDerWaalsContact O-CA 3.31Å; C205-F250 WeakPolarHBondContact O-CA 3.45Å; C205-L251 PolarHBondContact O-N 2.73Å; C205-I273 CarbonylContact C-O 3.56Å; C205-I273 WeakPolarHBondContact CA-O 3.3Å; C205-I273 HydrophobicContact CB-CB 4.18Å; C205-I273 HydrophobicContact CB-CD1 4.46Å
206	T	97.1	Very high	89.2	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	148.9	177.5	69	0	0	0	0	111	L251 L256 I273 V274 D275 L287	T206-L251 CarbonylContact C-O 3.52Å; T206-L251 WeakPolarHBondContact CA-O 3.2Å; T206-L251 HydrophobicContact CG2-CD2 4.39Å; T206-L256 HydrophobicContact CG2-CB 4.23Å; T206-L256 HydrophobicContact CG2-CD2 3.47Å; T206-L256 VanDerWaalsContact CG2-CD2 3.47Å; T206-L256 HydrophobicContact CG2-CG 4.49Å; T206-I273 PolarHBondContact N-O 2.89Å; T206-I273 PolarHBondContact OG1-O 3.34Å; T206-V274 WeakPolarHBondContact OG1-CA 3.49Å; T206-D275 WeakPolarHBondContact O-CB 3.3Å; T206-L287 HydrophobicContact CG2-CD2 4.04Å
207	Q	93.4	Very high	89.1	Confident	4 Å²	4	37.8 Å²	37.8	2%	0.019	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	140.8	172.8	-70.3	-67.7	-45.6	0	0	108.8	R209 A212 C213 L216 L251 T252 D275	Q207-R209 VanDerWaalsContact C-N 3.27Å; Q207-R209 PolarHBondContact O-N 3.45Å; Q207-A212 HydrophobicContact CB-CB 4.4Å; Q207-C213 HydrophobicContact CB-CB 4.12Å; Q207-C213 HydrophobicContact CG-CB 4.45Å; Q207-L216 HydrophobicContact CG-CD1 3.95Å; Q207-L216 VanDerWaalsContact NE2-CD1 3.31Å; Q207-L251 PolarHBondContact N-O 2.6Å; Q207-T252 WeakPolarHBondContact O-CA 3.41Å; Q207-D275 PolarHBondContact NE2-OD2 3.1Å
208	P	86.1	Confident	88.7	Confident	28 Å²	28	38.6 Å²	38.6	18%	0.182	21%	0.213	C	C	.	.	S	Bend	trans	-68.4	-29	-179.1	25.7	-34.3	0	0	0	112.1	E276 H281	P208-E276 HydrophobicContact CG-CB 4.13Å; P208-E276 HydrophobicContact CG-CG 4.41Å; P208-H281 VanDerWaalsContact CB-CD2 3.44Å; P208-H281 WeakPolarHBondContact CB-CD2 3.45Å
209	R	83.6	Confident	88.2	Confident	73 Å²	73	42.6 Å²	42.6	28%	0.275	22%	0.222	S	C	.	.	S	Bend	trans	-119.9	140.4	-172.6	-56.1	-176.2	-161.3	158.8	11	112.5	Q207 I211 A212 C213 E279 T441 S442	Q207-R209 VanDerWaalsContact C-N 3.27Å; Q207-R209 PolarHBondContact O-N 3.45Å; R209-I211 VanDerWaalsContact C-N 3.33Å; R209-I211 PolarHBondContact O-N 2.92Å; R209-A212 HydrophobicContact CB-CB 4.38Å; R209-A212 PolarHBondContact O-N 3.05Å; R209-C213 PolarHBondContact O-N 3.08Å; R209-C213 VanDerWaalsContact O-N 3.1Å; R209-E279 IonicContact CZ-OE2 3.54Å; R209-E279 IonicContact NE-OE2 3.72Å; R209-E279 IonicContact NH2-OE1 2.82Å; R209-E279 IonicContact NH2-OE2 2.9Å; R209-E279 PolarHBondContact NH2-OE2 3.46Å; R209-T441 PolarHBondContact NH1-OG1 2.8Å; R209-T441 PolarHBondContact NH2-OG1 2.86Å; R209-S442 VanDerWaalsContact CD-OG 3.26Å; R209-S442 WeakPolarHBondContact CD-OG 3.21Å; R209-S442 PolarHBondContact NE-OG 3.47Å; R209-S442 PolarHBondContact NH1-OG 2.89Å; R209-S442 PolarHBondContact NH2-OG 2.53Å
210	R	83.2	Confident	88.1	Confident	98 Å²	98	39.6 Å²	39.6	37%	0.37	19%	0.191	S	C	.	.	H	α-helix	trans	-57.1	-42.8	179	-66.9	172.8	71.5	-157.4	0.7	112.6	C213 I214 I236 R237 T252	R210-C213 WeakPolarHBondContact O-CB 3.38Å; R210-C213 PolarHBondContact O-N 3.31Å; R210-I214 WeakPolarHBondContact O-CG1 3.35Å; R210-I214 PolarHBondContact O-N 2.88Å; R210-I214 VanDerWaalsContact O-N 3.12Å; R210-I236 HydrophobicContact CB-CD1 4.14Å; R210-I236 HydrophobicContact CG-CB 4.41Å; R210-I236 HydrophobicContact CG-CD1 4.41Å; R210-R237 PolarHBondContact NH2-O 3.03Å; R210-T252 HydrophobicContact CG-CG2 4.1Å
211	I	76	Confident	87.8	Confident	97 Å²	97	39.3 Å²	39.3	50%	0.497	19%	0.191	S	C	.	.	H	α-helix	trans	-65	-42.6	-179.4	-63.6	174	0	0	0	110.9	R209 C213 I214 S215 L415	R209-I211 VanDerWaalsContact C-N 3.33Å; R209-I211 PolarHBondContact O-N 2.92Å; I211-C213 VanDerWaalsContact C-N 3.34Å; I211-C213 PolarHBondContact O-N 3.45Å; I211-I214 PolarHBondContact O-N 2.96Å; I211-S215 WeakPolarHBondContact O-CB 3.4Å; I211-S215 PolarHBondContact O-N 3Å; I211-L415 HydrophobicContact CD1-CD2 4.42Å
212	A	82.7	Confident	87.5	Confident	13 Å²	13	42 Å²	42	11%	0.107	20%	0.199	C	C	.	.	H	α-helix	trans	-61	-45	176.7	0	0	0	0	0	111	Q207 R209 I214 S215 L216	Q207-A212 HydrophobicContact CB-CB 4.4Å; R209-A212 HydrophobicContact CB-CB 4.38Å; R209-A212 PolarHBondContact O-N 3.05Å; A212-I214 PolarHBondContact O-N 3.29Å; A212-S215 PolarHBondContact O-N 2.75Å; A212-L216 VanDerWaalsContact O-CB 3.27Å; A212-L216 WeakPolarHBondContact O-CB 3.4Å; A212-L216 WeakPolarHBondContact O-CG 3.43Å; A212-L216 PolarHBondContact O-N 3.31Å
213	C	87.1	Confident	86.9	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-56	-48.2	175.8	-173.8	0	0	0	0	113.1	Q207 R209 R210 I211 A217 I236 F250 L251	Q207-C213 HydrophobicContact CB-CB 4.12Å; Q207-C213 HydrophobicContact CG-CB 4.45Å; R209-C213 PolarHBondContact O-N 3.08Å; R209-C213 VanDerWaalsContact O-N 3.1Å; R210-C213 WeakPolarHBondContact O-CB 3.38Å; R210-C213 PolarHBondContact O-N 3.31Å; I211-C213 VanDerWaalsContact C-N 3.34Å; I211-C213 PolarHBondContact O-N 3.45Å; C213-A217 WeakPolarHBondContact O-CB 3.38Å; C213-A217 PolarHBondContact O-N 2.89Å; C213-I236 HydrophobicContact CB-CG2 3.8Å; C213-I236 VanDerWaalsContact SG-CG2 3.55Å; C213-F250 VanDerWaalsContact SG-CB 3.6Å; C213-F250 PolarHBondContact SG-O 3.46Å; C213-L251 VanDerWaalsContact SG-CA 3.58Å; C213-L251 PolarHBondContact SG-N 2.8Å; C213-L251 VanDerWaalsContact SG-N 3.44Å
214	I	82.9	Confident	85.9	Confident	34 Å²	34	38.8 Å²	38.8	17%	0.174	19%	0.187	C	C	.	.	H	α-helix	trans	-68	-47.6	178.9	-60.9	171.1	0	0	0	110.6	R210 I211 A212 A217 K218 Y234 I236	R210-I214 WeakPolarHBondContact O-CG1 3.35Å; R210-I214 PolarHBondContact O-N 2.88Å; R210-I214 VanDerWaalsContact O-N 3.12Å; I211-I214 PolarHBondContact O-N 2.96Å; A212-I214 PolarHBondContact O-N 3.29Å; I214-A217 PolarHBondContact O-N 3.17Å; I214-K218 HydrophobicContact CG2-CD 4.06Å; I214-K218 HydrophobicContact CG2-CG 4.4Å; I214-K218 WeakPolarHBondContact O-CB 3.15Å; I214-K218 WeakPolarHBondContact O-CG 3.47Å; I214-K218 PolarHBondContact O-N 3.07Å; I214-Y234 HydrophobicContact CD1-CE2 4.37Å; I214-Y234 HydrophobicContact CG1-CD2 3.89Å; I214-Y234 HydrophobicContact CG1-CE2 3.73Å; I214-Y234 HydrophobicContact CG1-CG 4.43Å; I214-Y234 HydrophobicContact CG2-CE1 4.32Å; I214-I236 HydrophobicContact CD1-CD1 3.65Å; I214-I236 HydrophobicContact CG1-CD1 3.94Å
215	S	81.2	Confident	84.7	Confident	70 Å²	70	44 Å²	44	49%	0.49	21%	0.214	S	C	.	.	H	α-helix	trans	-63.4	-45.9	-175.2	-176.2	0	0	0	0	111.6	I211 A212 K218 R219	I211-S215 WeakPolarHBondContact O-CB 3.4Å; I211-S215 PolarHBondContact O-N 3Å; A212-S215 PolarHBondContact O-N 2.75Å; S215-K218 PolarHBondContact O-N 3.2Å; S215-R219 VanDerWaalsContact O-CB 3.26Å; S215-R219 WeakPolarHBondContact O-CB 3.42Å; S215-R219 PolarHBondContact O-N 3.04Å
216	L	87.3	Confident	83.4	Confident	27 Å²	27	45.5 Å²	45.5	14%	0.141	22%	0.222	C	C	.	.	H	α-helix	trans	-64.6	-43.9	177	-74.3	169	0	0	0	111.7	T189 Q207 A212 K218 R219 V220 F250	T189-L216 HydrophobicContact CG2-CD2 3.69Å; Q207-L216 HydrophobicContact CG-CD1 3.95Å; Q207-L216 VanDerWaalsContact NE2-CD1 3.31Å; A212-L216 VanDerWaalsContact O-CB 3.27Å; A212-L216 WeakPolarHBondContact O-CB 3.4Å; A212-L216 WeakPolarHBondContact O-CG 3.43Å; A212-L216 PolarHBondContact O-N 3.31Å; L216-K218 PolarHBondContact O-N 2.78Å; L216-R219 PolarHBondContact O-N 2.83Å; L216-V220 WeakPolarHBondContact O-CB 3.47Å; L216-V220 VanDerWaalsContact O-CG2 3.29Å; L216-V220 WeakPolarHBondContact O-CG2 3.21Å; L216-V220 PolarHBondContact O-N 3.08Å; L216-F250 HydrophobicContact CB-CD1 4.13Å; L216-F250 HydrophobicContact CB-CE1 3.96Å; L216-F250 HydrophobicContact CB-CZ 4.41Å
217	A	89.6	Confident	82	Confident	2 Å²	2	50.1 Å²	50.1	2%	0.017	24%	0.243	C	C	.	.	H	α-helix	trans	-59.1	-48.2	175.4	0	0	0	0	0	111.6	C213 I214 R219 V220 S221 Y234 F250	C213-A217 WeakPolarHBondContact O-CB 3.38Å; C213-A217 PolarHBondContact O-N 2.89Å; I214-A217 PolarHBondContact O-N 3.17Å; A217-R219 PolarHBondContact O-N 2.82Å; A217-V220 PolarHBondContact O-N 3.16Å; A217-S221 VanDerWaalsContact O-CB 3.31Å; A217-S221 WeakPolarHBondContact O-CB 3.39Å; A217-S221 PolarHBondContact O-N 3.4Å; A217-S221 PolarHBondContact O-OG 3.39Å; A217-Y234 HydrophobicContact CB-CD1 3.9Å; A217-Y234 HydrophobicContact CB-CG 4.26Å; A217-F250 HydrophobicContact CB-CB 4.24Å; A217-F250 HydrophobicContact CB-CD2 3.67Å; A217-F250 HydrophobicContact CB-CE2 4.4Å; A217-F250 HydrophobicContact CB-CG 4.17Å
218	K	82.9	Confident	80.7	Confident	124 Å²	124	58.3 Å²	58.3	54%	0.539	28%	0.279	S	S	.	.	H	α-helix	trans	-60	-44.3	176.2	-74.5	-178.4	177.5	-174.8	0	112	I214 S215 L216 S221 F222	I214-K218 HydrophobicContact CG2-CD 4.06Å; I214-K218 HydrophobicContact CG2-CG 4.4Å; I214-K218 WeakPolarHBondContact O-CB 3.15Å; I214-K218 WeakPolarHBondContact O-CG 3.47Å; I214-K218 PolarHBondContact O-N 3.07Å; S215-K218 PolarHBondContact O-N 3.2Å; L216-K218 PolarHBondContact O-N 2.78Å; K218-S221 PolarHBondContact O-N 3.25Å; K218-F222 WeakPolarHBondContact O-CB 3.35Å; K218-F222 PolarHBondContact O-N 3.22Å
219	R	83.1	Confident	79.7	Confident	110 Å²	110	58.8 Å²	58.8	42%	0.415	29%	0.289	S	S	.	.	H	α-helix	trans	-65	-46	-179.8	180	63.7	-172.6	-165.9	4.9	111.7	T189 S215 L216 A217 F222 E223	T189-R219 HydrophobicContact CG2-CG 4.17Å; S215-R219 VanDerWaalsContact O-CB 3.26Å; S215-R219 WeakPolarHBondContact O-CB 3.42Å; S215-R219 PolarHBondContact O-N 3.04Å; L216-R219 PolarHBondContact O-N 2.83Å; A217-R219 PolarHBondContact O-N 2.82Å; R219-F222 WeakPolarHBondContact O-CB 3.39Å; R219-F222 PolarHBondContact O-N 3.35Å; R219-E223 IonicContact CZ-OE1 2.72Å; R219-E223 IonicContact NE-OE1 3.97Å; R219-E223 PolarHBondContact NE-OE1 3.43Å; R219-E223 IonicContact NH2-OE1 3.71Å; R219-E223 PolarHBondContact NH2-OE1 3.2Å; R219-E223 WeakPolarHBondContact O-CB 3.47Å; R219-E223 WeakPolarHBondContact O-CG 3.21Å; R219-E223 PolarHBondContact O-N 3.3Å
220	V	88.7	Confident	79.6	Confident	1 Å²	1	57.8 Å²	57.8	1%	0.006	29%	0.294	C	S	.	.	H	α-helix	trans	-68.3	-37.4	178.2	172.1	0	0	0	0	111.1	T189 Q193 L216 A217 E223 S224 V232 L248 F250	T189-V220 HydrophobicContact CG2-CG2 4.47Å; Q193-V220 HydrophobicContact CG-CG1 3.64Å; L216-V220 WeakPolarHBondContact O-CB 3.47Å; L216-V220 VanDerWaalsContact O-CG2 3.29Å; L216-V220 WeakPolarHBondContact O-CG2 3.21Å; L216-V220 PolarHBondContact O-N 3.08Å; A217-V220 PolarHBondContact O-N 3.16Å; V220-E223 PolarHBondContact O-N 3.23Å; V220-S224 VanDerWaalsContact O-CB 3.25Å; V220-S224 WeakPolarHBondContact O-CB 3.33Å; V220-S224 PolarHBondContact O-N 2.86Å; V220-S224 PolarHBondContact O-OG 3.28Å; V220-V232 HydrophobicContact CB-CG1 4.38Å; V220-V232 HydrophobicContact CG1-CG1 4.08Å; V220-V232 HydrophobicContact CG1-CG2 4.34Å; V220-L248 HydrophobicContact CG1-CD2 3.91Å; V220-F250 HydrophobicContact CB-CE2 4.21Å; V220-F250 HydrophobicContact CB-CZ 4.34Å; V220-F250 HydrophobicContact CG1-CE2 4.41Å; V220-F250 HydrophobicContact CG2-CE2 4.32Å; V220-F250 HydrophobicContact CG2-CZ 3.95Å
221	S	85.3	Confident	79.8	Confident	12 Å²	12	58 Å²	58	8%	0.084	30%	0.297	C	S	.	.	H	α-helix	trans	-60.6	-45	170.9	-65.8	0	0	0	0	111.4	A217 K218 S224 L225 N226 Q227 V232	A217-S221 VanDerWaalsContact O-CB 3.31Å; A217-S221 WeakPolarHBondContact O-CB 3.39Å; A217-S221 PolarHBondContact O-N 3.4Å; A217-S221 PolarHBondContact O-OG 3.39Å; K218-S221 PolarHBondContact O-N 3.25Å; S221-S224 PolarHBondContact O-OG 3.46Å; S221-L225 PolarHBondContact O-N 2.81Å; S221-N226 CarbonylContact O-C 3.6Å; S221-N226 VanDerWaalsContact O-C 3.27Å; S221-N226 WeakPolarHBondContact O-CA 3.47Å; S221-N226 PolarHBondContact O-N 3.15Å; S221-Q227 PolarHBondContact O-N 3.41Å; S221-V232 WeakPolarHBondContact OG-CB 3.25Å; S221-V232 WeakPolarHBondContact OG-CG1 3.46Å
222	F	81.3	Confident	80.5	Confident	93 Å²	93	53.8 Å²	53.8	41%	0.408	28%	0.276	S	S	.	.	H	α-helix	trans	-61.2	-48.6	175.5	178.2	-102.5	0	0	0	112.3	L151 K218 R219 S224 L225	L151-F222 HydrophobicContact CD1-CD1 3.85Å; L151-F222 HydrophobicContact CD1-CE1 3.48Å; L151-F222 VanDerWaalsContact CD1-CE1 3.48Å; L151-F222 HydrophobicContact CD1-CZ 4.21Å; K218-F222 WeakPolarHBondContact O-CB 3.35Å; K218-F222 PolarHBondContact O-N 3.22Å; R219-F222 WeakPolarHBondContact O-CB 3.39Å; R219-F222 PolarHBondContact O-N 3.35Å; F222-S224 PolarHBondContact O-N 2.81Å; F222-L225 PolarHBondContact O-N 3.3Å
223	E	81.6	Confident	81	Confident	4 Å²	4	53.2 Å²	53.2	2%	0.019	27%	0.271	C	S	.	.	H	α-helix	trans	-66.5	-33.3	-178.8	-80.8	-171	-164.3	0	0	114.3	L151 Q155 Q190 Q193 R219 V220 L225	L151-E223 HydrophobicContact CD1-CG 4.36Å; L151-E223 HydrophobicContact CD2-CB 4.36Å; L151-E223 HydrophobicContact CD2-CG 4.29Å; Q155-E223 PolarHBondContact NE2-OE2 3Å; Q190-E223 PolarHBondContact NE2-OE2 2.93Å; Q193-E223 PolarHBondContact NE2-OE2 3.48Å; R219-E223 IonicContact CZ-OE1 2.72Å; R219-E223 IonicContact NE-OE1 3.97Å; R219-E223 PolarHBondContact NE-OE1 3.43Å; R219-E223 IonicContact NH2-OE1 3.71Å; R219-E223 PolarHBondContact NH2-OE1 3.2Å; R219-E223 WeakPolarHBondContact O-CB 3.47Å; R219-E223 WeakPolarHBondContact O-CG 3.21Å; R219-E223 PolarHBondContact O-N 3.3Å; V220-E223 PolarHBondContact O-N 3.23Å; E223-L225 VanDerWaalsContact C-N 3.27Å; E223-L225 PolarHBondContact O-N 3.25Å
224	S	75	Confident	81.3	Confident	25 Å²	25	54.6 Å²	54.6	18%	0.175	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	6.2	177.3	64.4	0	0	0	0	113.5	V220 S221 F222 N226	V220-S224 VanDerWaalsContact O-CB 3.25Å; V220-S224 WeakPolarHBondContact O-CB 3.33Å; V220-S224 PolarHBondContact O-N 2.86Å; V220-S224 PolarHBondContact O-OG 3.28Å; S221-S224 PolarHBondContact O-OG 3.46Å; F222-S224 PolarHBondContact O-N 2.81Å; S224-N226 WeakPolarHBondContact CB-ND2 3Å; S224-N226 PolarHBondContact O-N 2.96Å; S224-N226 PolarHBondContact O-ND2 3.19Å; S224-N226 PolarHBondContact OG-ND2 2.96Å
225	L	73.8	Confident	81.7	Confident	109 Å²	109	55 Å²	55	57%	0.571	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	24.1	-173.6	-50.8	175.1	0	0	0	113.9	L148 S221 F222 E223	L148-L225 HydrophobicContact CD1-CD1 3.65Å; L148-L225 HydrophobicContact CD1-CD2 3.84Å; L148-L225 HydrophobicContact CD1-CG 4.12Å; L148-L225 HydrophobicContact CD2-CD1 4.39Å; S221-L225 PolarHBondContact O-N 2.81Å; F222-L225 PolarHBondContact O-N 3.3Å; E223-L225 VanDerWaalsContact C-N 3.27Å; E223-L225 PolarHBondContact O-N 3.25Å
226	N	70.7	Confident	82	Confident	31 Å²	31	52 Å²	52	17%	0.166	26%	0.256	C	S	.	.			trans	-103.4	23.7	174	-67.2	-68.7	0	0	0	112	S221 S224 F228 G229	S221-N226 CarbonylContact O-C 3.6Å; S221-N226 VanDerWaalsContact O-C 3.27Å; S221-N226 WeakPolarHBondContact O-CA 3.47Å; S221-N226 PolarHBondContact O-N 3.15Å; S224-N226 WeakPolarHBondContact CB-ND2 3Å; S224-N226 PolarHBondContact O-N 2.96Å; S224-N226 PolarHBondContact O-ND2 3.19Å; S224-N226 PolarHBondContact OG-ND2 2.96Å; N226-F228 PolarHBondContact O-N 3.46Å; N226-F228 VanDerWaalsContact O-N 3.14Å; N226-G229 WeakPolarHBondContact O-CA 3.49Å; N226-G229 PolarHBondContact O-N 3.31Å
227	Q	66	Low	81.5	Confident	98 Å²	98	54.7 Å²	54.7	46%	0.458	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-35.3	-177.7	-171.3	176.8	11.5	0	0	112.8	S221	S221-Q227 PolarHBondContact O-N 3.41Å
228	F	66.6	Low	80.3	Confident	176 Å²	176	56.7 Å²	56.7	77%	0.772	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.6	7.6	174.6	-51.6	-68.6	0	0	0	112.6	N226	N226-F228 PolarHBondContact O-N 3.46Å; N226-F228 VanDerWaalsContact O-N 3.14Å
229	G	66.4	Low	79.9	Confident	38 Å²	38	53.3 Å²	53.3	39%	0.392	26%	0.259	S	S	.	.	S	Bend	trans	-92.3	172	177.1	0	0	0	0	0	112.1	N226	N226-G229 WeakPolarHBondContact O-CA 3.49Å; N226-G229 PolarHBondContact O-N 3.31Å
230	S	80.6	Confident	79.9	Confident	52 Å²	52	52 Å²	52	36%	0.364	26%	0.263	S	S	.	.	S	Bend	trans	-109.6	-0.4	-176	51	0	0	0	0	114.4	T243 A245 T246	S230-T243 WeakPolarHBondContact CB-OG1 3.39Å; S230-A245 VanDerWaalsContact OG-CB 3.26Å; S230-A245 WeakPolarHBondContact OG-CB 3.24Å; S230-T246 WeakPolarHBondContact O-CA 3.41Å; S230-T246 WeakPolarHBondContact O-CB 3.48Å; S230-T246 PolarHBondContact O-N 3.18Å; S230-T246 PolarHBondContact O-OG1 2.93Å
231	K	86.5	Confident	79.7	Confident	102 Å²	102	54.2 Å²	54.2	44%	0.443	28%	0.279	S	S	.	.	S	Bend	trans	-69.9	-31.4	-175.8	-69.7	-177.6	-178.3	173.6	0	113.9	K247 L248	K231-K247 PolarHBondContact O-N 2.9Å; K231-L248 PolarHBondContact O-N 2.9Å
232	V	91.9	Very high	79.8	Confident	8 Å²	8	58.2 Å²	58.2	5%	0.048	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	126.7	178.2	179.8	0	0	0	0	107.6	L196 V220 S221 L248 F250	L196-V232 HydrophobicContact CD2-CG2 4.39Å; V220-V232 HydrophobicContact CB-CG1 4.38Å; V220-V232 HydrophobicContact CG1-CG1 4.08Å; V220-V232 HydrophobicContact CG1-CG2 4.34Å; S221-V232 WeakPolarHBondContact OG-CB 3.25Å; S221-V232 WeakPolarHBondContact OG-CG1 3.46Å; V232-L248 WeakPolarHBondContact CA-O 3.42Å; V232-L248 HydrophobicContact CG1-CD2 4.13Å; V232-L248 HydrophobicContact CG1-CG 4.35Å; V232-L248 HydrophobicContact CG2-CB 4.31Å; V232-L248 HydrophobicContact CG2-CD2 4.2Å; V232-F250 HydrophobicContact CG1-CD2 4.37Å; V232-F250 HydrophobicContact CG1-CE2 4.05Å
233	G	91.9	Very high	80.2	Confident	1 Å²	1	57 Å²	57	1%	0.01	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	175.1	-179.2	0	0	0	0	0	111.9	S241 L248 L249 F250	G233-S241 WeakPolarHBondContact CA-OG 3.35Å; G233-L248 PolarHBondContact N-O 3.29Å; G233-L249 WeakPolarHBondContact O-CA 3.36Å; G233-F250 PolarHBondContact O-N 3.29Å
234	Y	93.3	Very high	80.4	Confident	29 Å²	29	62.3 Å²	62.3	11%	0.114	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	154.9	169	66	-85.8	0	0	0	111	I214 A217 I236 E239 T240 S241 F250	I214-Y234 HydrophobicContact CD1-CE2 4.37Å; I214-Y234 HydrophobicContact CG1-CD2 3.89Å; I214-Y234 HydrophobicContact CG1-CE2 3.73Å; I214-Y234 HydrophobicContact CG1-CG 4.43Å; I214-Y234 HydrophobicContact CG2-CE1 4.32Å; A217-Y234 HydrophobicContact CB-CD1 3.9Å; A217-Y234 HydrophobicContact CB-CG 4.26Å; Y234-I236 HydrophobicContact CD2-CG1 4.32Å; Y234-I236 HydrophobicContact CD2-CG2 4.47Å; Y234-I236 HydrophobicContact CE2-CG1 4.39Å; Y234-E239 HydrophobicContact CE2-CB 4.41Å; Y234-E239 HydrophobicContact CE2-CG 3.88Å; Y234-E239 PolarHBondContact OH-OE1 2.91Å; Y234-T240 WeakPolarHBondContact O-CA 3.43Å; Y234-S241 WeakPolarHBondContact CD1-OG 3.48Å; Y234-S241 VanDerWaalsContact CE1-OG 3.25Å; Y234-S241 WeakPolarHBondContact CE1-OG 3.43Å; Y234-S241 PolarHBondContact N-OG 3.06Å; Y234-S241 PolarHBondContact O-N 3.41Å; Y234-S241 PolarHBondContact O-OG 2.71Å; Y234-F250 CarbonylContact C-O 3.17Å; Y234-F250 WeakPolarHBondContact CA-O 3.27Å
235	Q	92.1	Very high	80.9	Confident	42 Å²	42	63.3 Å²	63.3	20%	0.196	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	115.1	171.5	-165.7	-179	-14.8	0	0	109.1	L249 F250 L251 L255	Q235-L249 HydrophobicContact CB-CD1 3.99Å; Q235-L249 HydrophobicContact CB-CD2 4.25Å; Q235-L249 HydrophobicContact CB-CG 4.39Å; Q235-F250 PolarHBondContact N-O 2.8Å; Q235-L251 HydrophobicContact CB-CB 4.48Å; Q235-L251 WeakPolarHBondContact O-CA 3.38Å; Q235-L251 WeakPolarHBondContact O-CB 3.35Å; Q235-L255 HydrophobicContact CB-CD2 3.96Å; Q235-L255 HydrophobicContact CG-CD2 3.5Å; Q235-L255 WeakPolarHBondContact O-CD2 3.25Å
236	I	87.1	Confident	81.8	Confident	7 Å²	7	58.8 Å²	58.8	4%	0.036	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	171.9	173.9	60.4	173	0	0	0	108.9	R210 C213 I214 Y234 F238 E239 T252	R210-I236 HydrophobicContact CB-CD1 4.14Å; R210-I236 HydrophobicContact CG-CB 4.41Å; R210-I236 HydrophobicContact CG-CD1 4.41Å; C213-I236 HydrophobicContact CB-CG2 3.8Å; C213-I236 VanDerWaalsContact SG-CG2 3.55Å; I214-I236 HydrophobicContact CD1-CD1 3.65Å; I214-I236 HydrophobicContact CG1-CD1 3.94Å; Y234-I236 HydrophobicContact CD2-CG1 4.32Å; Y234-I236 HydrophobicContact CD2-CG2 4.47Å; Y234-I236 HydrophobicContact CE2-CG1 4.39Å; I236-F238 PolarHBondContact O-N 3.03Å; I236-F238 VanDerWaalsContact O-N 3.13Å; I236-E239 HydrophobicContact CD1-CB 4.1Å; I236-E239 HydrophobicContact CG1-CB 3.79Å; I236-E239 WeakPolarHBondContact CG1-O 3.33Å; I236-E239 PolarHBondContact N-O 3.09Å; I236-E239 PolarHBondContact O-N 3.48Å; I236-T252 HydrophobicContact CG2-CG2 4.05Å
237	R	76.6	Confident	82.9	Confident	85 Å²	85	62 Å²	62	32%	0.321	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	125.2	170.6	-147.2	-172.7	165.2	164.5	-10.2	109.2	R210 E239 P580	R210-R237 PolarHBondContact NH2-O 3.03Å; R237-E239 VanDerWaalsContact C-N 3.28Å; R237-E239 PolarHBondContact O-N 2.89Å; R237-P580 PolarHBondContact NH1-O 3.44Å; R237-P580 PolarHBondContact NH2-O 2.87Å
238	F	65.9	Low	84.3	Confident	44 Å²	44	57.4 Å²	57.4	19%	0.193	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.5	-3.8	175.8	-36.3	-38.5	0	0	0	117	I236 L679 Q682	I236-F238 PolarHBondContact O-N 3.03Å; I236-F238 VanDerWaalsContact O-N 3.13Å; F238-L679 HydrophobicContact CE1-CD2 3.61Å; F238-L679 HydrophobicContact CE1-CG 4.14Å; F238-L679 HydrophobicContact CE2-CD2 4.23Å; F238-L679 HydrophobicContact CE2-CG 4.12Å; F238-L679 HydrophobicContact CZ-CD1 4.25Å; F238-L679 HydrophobicContact CZ-CD2 3.21Å; F238-L679 HydrophobicContact CZ-CG 3.54Å; F238-Q682 VanDerWaalsContact CE1-CD 3.41Å
239	E	72.8	Confident	85.7	Confident	53 Å²	53	49.2 Å²	49.2	25%	0.248	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	132	-175.1	-165.7	172.1	135.1	0	0	111.6	Y234 I236 R237 R779	Y234-E239 HydrophobicContact CE2-CB 4.41Å; Y234-E239 HydrophobicContact CE2-CG 3.88Å; Y234-E239 PolarHBondContact OH-OE1 2.91Å; I236-E239 HydrophobicContact CD1-CB 4.1Å; I236-E239 HydrophobicContact CG1-CB 3.79Å; I236-E239 WeakPolarHBondContact CG1-O 3.33Å; I236-E239 PolarHBondContact N-O 3.09Å; I236-E239 PolarHBondContact O-N 3.48Å; R237-E239 VanDerWaalsContact C-N 3.28Å; R237-E239 PolarHBondContact O-N 2.89Å; E239-R779 IonicContact OE2-NH2 3.42Å
240	T	84.3	Confident	87.2	Confident	82 Å²	82	47.4 Å²	47.4	50%	0.503	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	143.2	180	-175.2	0	0	0	0	110.5	Y234 R242	Y234-T240 WeakPolarHBondContact O-CA 3.43Å; T240-R242 WeakPolarHBondContact OG1-CB 3.45Å; T240-R242 PolarHBondContact OG1-N 3.09Å; T240-R242 VanDerWaalsContact OG1-N 3.07Å
241	S	84.6	Confident	87.9	Confident	48 Å²	48	45 Å²	45	34%	0.336	24%	0.243	S	C	.	.			trans	-114.9	7.4	164.1	54.8	0	0	0	0	111.9	G233 Y234	G233-S241 WeakPolarHBondContact CA-OG 3.35Å; Y234-S241 WeakPolarHBondContact CD1-OG 3.48Å; Y234-S241 VanDerWaalsContact CE1-OG 3.25Å; Y234-S241 WeakPolarHBondContact CE1-OG 3.43Å; Y234-S241 PolarHBondContact N-OG 3.06Å; Y234-S241 PolarHBondContact O-N 3.41Å; Y234-S241 PolarHBondContact O-OG 2.71Å
242	R	87.8	Confident	88.3	Confident	95 Å²	95	41.1 Å²	41.1	36%	0.358	23%	0.228	S	C	.	.			trans	-63	135	176.7	-175.2	-179.6	174.9	173.5	-1.8	110.5	T240 L249	T240-R242 WeakPolarHBondContact OG1-CB 3.45Å; T240-R242 PolarHBondContact OG1-N 3.09Å; T240-R242 VanDerWaalsContact OG1-N 3.07Å; R242-L249 HydrophobicContact CB-CD1 3.91Å; R242-L249 HydrophobicContact CG-CD1 4.13Å
243	T	87.8	Confident	88.4	Confident	67 Å²	67	41.1 Å²	41.1	41%	0.411	23%	0.228	S	C	.	.			trans	-132.4	173.4	172	67.6	0	0	0	0	109.4	S230 A245 T246	S230-T243 WeakPolarHBondContact CB-OG1 3.39Å; T243-A245 PolarHBondContact O-N 3.37Å; T243-A245 VanDerWaalsContact O-N 3.16Å; T243-A245 PolarHBondContact OG1-N 3Å; T243-T246 PolarHBondContact N-OG1 3.36Å; T243-T246 WeakPolarHBondContact O-CB 3.44Å; T243-T246 PolarHBondContact O-N 2.98Å; T243-T246 VanDerWaalsContact O-N 3.07Å; T243-T246 PolarHBondContact O-OG1 3.32Å; T243-T246 PolarHBondContact OG1-OG1 3.19Å
244	A	86.8	Confident	88.3	Confident	116 Å²	116	42.5 Å²	42.5	96%	0.959	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-23.3	174.3	0	0	0	0	0	113.4
245	A	86.4	Confident	88.2	Confident	47 Å²	47	42.6 Å²	42.6	39%	0.388	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-4.7	178.7	0	0	0	0	0	113.8	S230 T243 K247	S230-A245 VanDerWaalsContact OG-CB 3.26Å; S230-A245 WeakPolarHBondContact OG-CB 3.24Å; T243-A245 PolarHBondContact O-N 3.37Å; T243-A245 VanDerWaalsContact O-N 3.16Å; T243-A245 PolarHBondContact OG1-N 3Å; A245-K247 PolarHBondContact O-N 3.09Å
246	T	91.9	Very high	88.4	Confident	14 Å²	14	40.6 Å²	40.6	9%	0.086	24%	0.235	C	C	.	.			trans	-73.3	121.4	-176.6	-57.2	0	0	0	0	110.9	S230 T243 L248 L249	S230-T246 WeakPolarHBondContact O-CA 3.41Å; S230-T246 WeakPolarHBondContact O-CB 3.48Å; S230-T246 PolarHBondContact O-N 3.18Å; S230-T246 PolarHBondContact O-OG1 2.93Å; T243-T246 PolarHBondContact N-OG1 3.36Å; T243-T246 WeakPolarHBondContact O-CB 3.44Å; T243-T246 PolarHBondContact O-N 2.98Å; T243-T246 VanDerWaalsContact O-N 3.07Å; T243-T246 PolarHBondContact O-OG1 3.32Å; T243-T246 PolarHBondContact OG1-OG1 3.19Å; T246-L248 WeakPolarHBondContact CG2-O 3.42Å; T246-L249 HydrophobicContact CG2-CD1 4.29Å
247	K	93.7	Very high	88.7	Confident	99 Å²	99	40.2 Å²	40.2	43%	0.43	23%	0.233	S	C	.	.			trans	-106.2	-27	179.7	-62.6	-169.3	176.7	-164.8	0	113.2	L196 H202 I203 K231 A245	L196-K247 HydrophobicContact CD1-CB 3.74Å; L196-K247 HydrophobicContact CD1-CD 4.22Å; H202-K247 CarbonylContact C-O 3.59Å; H202-K247 WeakPolarHBondContact CA-O 3.38Å; H202-K247 PolarHBondContact N-O 3.38Å; H202-K247 VanDerWaalsContact N-O 3.07Å; I203-K247 PolarHBondContact N-O 3.42Å; K231-K247 PolarHBondContact O-N 2.9Å; A245-K247 PolarHBondContact O-N 3.09Å
248	L	95.5	Very high	89.2	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	121.1	174.6	170.1	60.8	0	0	0	108.6	P192 I203 V220 K231 V232 G233 T246 F250	P192-L248 HydrophobicContact CB-CD1 3.76Å; P192-L248 HydrophobicContact CB-CD2 3.58Å; P192-L248 HydrophobicContact CB-CG 4.34Å; I203-L248 HydrophobicContact CB-CD1 3.8Å; I203-L248 HydrophobicContact CG2-CD1 3.64Å; I203-L248 WeakPolarHBondContact O-CA 3.48Å; V220-L248 HydrophobicContact CG1-CD2 3.91Å; K231-L248 PolarHBondContact O-N 2.9Å; V232-L248 WeakPolarHBondContact CA-O 3.42Å; V232-L248 HydrophobicContact CG1-CD2 4.13Å; V232-L248 HydrophobicContact CG1-CG 4.35Å; V232-L248 HydrophobicContact CG2-CB 4.31Å; V232-L248 HydrophobicContact CG2-CD2 4.2Å; G233-L248 PolarHBondContact N-O 3.29Å; T246-L248 WeakPolarHBondContact CG2-O 3.42Å; L248-F250 HydrophobicContact CD1-CE2 4.36Å; L248-F250 HydrophobicContact CD2-CE2 3.78Å; L248-F250 HydrophobicContact CD2-CZ 4.17Å; L248-F250 HydrophobicContact CG-CD2 4.43Å; L248-F250 HydrophobicContact CG-CE2 3.91Å
249	L	96.4	Very high	90.4	Very high	5 Å²	5	37.5 Å²	37.5	3%	0.026	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	117.9	-178.2	-172.5	68.8	0	0	0	110.7	I203 A204 C205 G233 Q235 R242 T246 Y269	I203-L249 PolarHBondContact O-N 3.02Å; A204-L249 CarbonylContact C-O 3.5Å; A204-L249 WeakPolarHBondContact CA-O 3.21Å; C205-L249 PolarHBondContact N-O 2.91Å; G233-L249 WeakPolarHBondContact O-CA 3.36Å; Q235-L249 HydrophobicContact CB-CD1 3.99Å; Q235-L249 HydrophobicContact CB-CD2 4.25Å; Q235-L249 HydrophobicContact CB-CG 4.39Å; R242-L249 HydrophobicContact CB-CD1 3.91Å; R242-L249 HydrophobicContact CG-CD1 4.13Å; T246-L249 HydrophobicContact CG2-CD1 4.29Å; L249-Y269 HydrophobicContact CD2-CE1 4.29Å; L249-Y269 WeakPolarHBondContact CD2-OH 3.49Å
250	F	96.6	Very high	91.4	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	134.1	165.2	-67.6	-90.8	0	0	0	109.5	P192 C205 C213 L216 A217 V220 V232 G233 Y234 Q235 L248	P192-F250 HydrophobicContact CB-CZ 4.39Å; P192-F250 HydrophobicContact CG-CE1 4.44Å; P192-F250 HydrophobicContact CG-CZ 4.19Å; C205-F250 HydrophobicContact CB-CD1 3.71Å; C205-F250 HydrophobicContact CB-CE1 3.8Å; C205-F250 HydrophobicContact CB-CG 4.42Å; C205-F250 CarbonylContact O-C 3.47Å; C205-F250 VanDerWaalsContact O-CA 3.31Å; C205-F250 WeakPolarHBondContact O-CA 3.45Å; C213-F250 VanDerWaalsContact SG-CB 3.6Å; C213-F250 PolarHBondContact SG-O 3.46Å; L216-F250 HydrophobicContact CB-CD1 4.13Å; L216-F250 HydrophobicContact CB-CE1 3.96Å; L216-F250 HydrophobicContact CB-CZ 4.41Å; A217-F250 HydrophobicContact CB-CB 4.24Å; A217-F250 HydrophobicContact CB-CD2 3.67Å; A217-F250 HydrophobicContact CB-CE2 4.4Å; A217-F250 HydrophobicContact CB-CG 4.17Å; V220-F250 HydrophobicContact CB-CE2 4.21Å; V220-F250 HydrophobicContact CB-CZ 4.34Å; V220-F250 HydrophobicContact CG1-CE2 4.41Å; V220-F250 HydrophobicContact CG2-CE2 4.32Å; V220-F250 HydrophobicContact CG2-CZ 3.95Å; V232-F250 HydrophobicContact CG1-CD2 4.37Å; V232-F250 HydrophobicContact CG1-CE2 4.05Å; G233-F250 PolarHBondContact O-N 3.29Å; Y234-F250 CarbonylContact C-O 3.17Å; Y234-F250 WeakPolarHBondContact CA-O 3.27Å; Q235-F250 PolarHBondContact N-O 2.8Å; L248-F250 HydrophobicContact CD1-CE2 4.36Å; L248-F250 HydrophobicContact CD2-CE2 3.78Å; L248-F250 HydrophobicContact CD2-CZ 4.17Å; L248-F250 HydrophobicContact CG-CD2 4.43Å; L248-F250 HydrophobicContact CG-CE2 3.91Å
251	L	96.5	Very high	91.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	166.1	177.6	69.9	171.9	0	0	0	112.7	A204 C205 T206 Q207 C213 Q235 L255 L256	A204-L251 HydrophobicContact CB-CD2 3.9Å; C205-L251 PolarHBondContact O-N 2.73Å; T206-L251 CarbonylContact C-O 3.52Å; T206-L251 WeakPolarHBondContact CA-O 3.2Å; T206-L251 HydrophobicContact CG2-CD2 4.39Å; Q207-L251 PolarHBondContact N-O 2.6Å; C213-L251 VanDerWaalsContact SG-CA 3.58Å; C213-L251 PolarHBondContact SG-N 2.8Å; C213-L251 VanDerWaalsContact SG-N 3.44Å; Q235-L251 HydrophobicContact CB-CB 4.48Å; Q235-L251 WeakPolarHBondContact O-CA 3.38Å; Q235-L251 WeakPolarHBondContact O-CB 3.35Å; L251-L255 HydrophobicContact CB-CD2 4.34Å; L251-L256 HydrophobicContact CD1-CB 3.93Å; L251-L256 HydrophobicContact CD1-CD1 4.16Å; L251-L256 HydrophobicContact CG-CB 4.4Å
252	T	94.2	Very high	91.7	Very high	21 Å²	21	38.1 Å²	38.1	13%	0.129	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	146.9	173.2	48.4	0	0	0	0	111.5	Q207 R210 I236 G254 L255 L256	Q207-T252 WeakPolarHBondContact O-CA 3.41Å; R210-T252 HydrophobicContact CG-CG2 4.1Å; I236-T252 HydrophobicContact CG2-CG2 4.05Å; T252-G254 PolarHBondContact O-N 3.09Å; T252-L255 WeakPolarHBondContact O-CB 3.32Å; T252-L255 PolarHBondContact O-N 3.22Å; T252-L255 WeakPolarHBondContact OG1-CB 3.33Å; T252-L256 PolarHBondContact O-N 2.89Å; T252-L256 VanDerWaalsContact O-N 3.17Å
253	E	93.9	Very high	91.8	Very high	9 Å²	9	35.8 Å²	35.8	4%	0.042	21%	0.209	C	C	.	.	H	α-helix	trans	-50.8	-49.8	178.4	-65.1	158.9	-168.2	0	0	113	L255 L256 L257 H283 C284 L287	E253-L255 PolarHBondContact O-N 3.43Å; E253-L256 PolarHBondContact O-N 2.95Å; E253-L257 PolarHBondContact O-N 3.02Å; E253-H283 HydrophobicContact CB-CB 4.05Å; E253-C284 WeakPolarHBondContact OE2-CA 3.24Å; E253-C284 WeakPolarHBondContact OE2-CB 3.45Å; E253-C284 PolarHBondContact OE2-N 3.39Å; E253-L287 HydrophobicContact CB-CD2 4.4Å; E253-L287 HydrophobicContact CG-CD2 4.4Å
254	G	90.9	Very high	91.9	Very high	30 Å²	30	38.3 Å²	38.3	31%	0.309	21%	0.214	S	C	.	.	H	α-helix	trans	-61.9	-26.2	178.5	0	0	0	0	0	114.1	T252 R258	T252-G254 PolarHBondContact O-N 3.09Å; G254-R258 PolarHBondContact O-N 2.87Å
255	L	91.1	Very high	92.2	Very high	30 Å²	30	36.1 Å²	36.1	16%	0.157	19%	0.185	C	C	.	.	H	α-helix	trans	-76.6	-38.2	174.5	-175.8	65.9	0	0	0	111.3	Q235 L251 T252 E253 R258 Q259	Q235-L255 HydrophobicContact CB-CD2 3.96Å; Q235-L255 HydrophobicContact CG-CD2 3.5Å; Q235-L255 WeakPolarHBondContact O-CD2 3.25Å; L251-L255 HydrophobicContact CB-CD2 4.34Å; T252-L255 WeakPolarHBondContact O-CB 3.32Å; T252-L255 PolarHBondContact O-N 3.22Å; T252-L255 WeakPolarHBondContact OG1-CB 3.33Å; E253-L255 PolarHBondContact O-N 3.43Å; L255-R258 PolarHBondContact O-N 3.23Å; L255-Q259 WeakPolarHBondContact O-CG 3.28Å; L255-Q259 PolarHBondContact O-N 2.8Å
256	L	94.8	Very high	92.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-64.6	-43.4	174.7	-175.1	60.8	0	0	0	110.8	T206 L251 T252 E253 R258 Q259 I260 L266 Y269 V272 L287	T206-L256 HydrophobicContact CG2-CB 4.23Å; T206-L256 HydrophobicContact CG2-CD2 3.47Å; T206-L256 VanDerWaalsContact CG2-CD2 3.47Å; T206-L256 HydrophobicContact CG2-CG 4.49Å; L251-L256 HydrophobicContact CD1-CB 3.93Å; L251-L256 HydrophobicContact CD1-CD1 4.16Å; L251-L256 HydrophobicContact CG-CB 4.4Å; T252-L256 PolarHBondContact O-N 2.89Å; T252-L256 VanDerWaalsContact O-N 3.17Å; E253-L256 PolarHBondContact O-N 2.95Å; L256-R258 VanDerWaalsContact C-N 3.28Å; L256-R258 PolarHBondContact O-N 3.41Å; L256-Q259 WeakPolarHBondContact O-CA 3.48Å; L256-Q259 WeakPolarHBondContact O-CB 3.11Å; L256-Q259 PolarHBondContact O-N 3.09Å; L256-I260 HydrophobicContact CG-CD1 4.35Å; L256-I260 WeakPolarHBondContact O-CG1 3.31Å; L256-I260 PolarHBondContact O-N 2.72Å; L256-L266 HydrophobicContact CD1-CD1 3.94Å; L256-L266 HydrophobicContact CD1-CD2 4.08Å; L256-Y269 HydrophobicContact CD1-CD2 4.17Å; L256-Y269 HydrophobicContact CD1-CE2 3.74Å; L256-V272 HydrophobicContact CD2-CG1 3.95Å; L256-L287 HydrophobicContact CD2-CD1 3.99Å; L256-L287 HydrophobicContact CD2-CD2 4.01Å; L256-L287 HydrophobicContact CG-CD1 4.22Å
257	L	93.3	Very high	92.5	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-55.7	-41.8	173	-77.6	169.8	0	0	0	112.5	E253 Q259 I260 Q261 H283 F286 L287 V290	E253-L257 PolarHBondContact O-N 3.02Å; L257-Q259 VanDerWaalsContact C-N 3.35Å; L257-I260 PolarHBondContact O-N 2.91Å; L257-Q261 PolarHBondContact O-N 2.86Å; L257-H283 HydrophobicContact CD1-CB 4.08Å; L257-F286 HydrophobicContact CD1-CD1 3.73Å; L257-F286 HydrophobicContact CD1-CE1 4.33Å; L257-F286 HydrophobicContact CD2-CD1 3.69Å; L257-F286 HydrophobicContact CD2-CE1 3.8Å; L257-F286 HydrophobicContact CG-CD1 4.37Å; L257-L287 HydrophobicContact CD1-CB 4.49Å; L257-L287 HydrophobicContact CD2-CB 4.05Å; L257-L287 HydrophobicContact CD2-CD1 3.96Å; L257-L287 HydrophobicContact CG-CB 4.18Å; L257-L287 HydrophobicContact CG-CD1 4.18Å; L257-V290 HydrophobicContact CD2-CG2 4.22Å
258	R	88.7	Confident	92.4	Very high	55 Å²	55	36.3 Å²	36.3	21%	0.208	18%	0.182	C	C	.	.	H	α-helix	trans	-66.7	-35.5	175.2	-173.1	-178.8	179.4	112.4	7.2	112.6	G254 L255 L256 I260 Q261 Q262 Q578	G254-R258 PolarHBondContact O-N 2.87Å; L255-R258 PolarHBondContact O-N 3.23Å; L256-R258 VanDerWaalsContact C-N 3.28Å; L256-R258 PolarHBondContact O-N 3.41Å; R258-I260 VanDerWaalsContact C-N 3.35Å; R258-Q261 PolarHBondContact O-N 3.39Å; R258-Q262 PolarHBondContact O-N 3.2Å; R258-Q578 VanDerWaalsContact CZ-O 3.28Å; R258-Q578 PolarHBondContact NH1-O 3.02Å; R258-Q578 PolarHBondContact NH2-O 2.9Å
259	Q	91.3	Very high	92.5	Very high	16 Å²	16	36.7 Å²	36.7	8%	0.075	18%	0.183	C	C	.	.	H	α-helix	trans	-64.3	-41.7	172.8	-72.1	175	-1.7	0	0	110.6	L255 L256 L257 Q261 Q262 D263 L266 Y269	L255-Q259 WeakPolarHBondContact O-CG 3.28Å; L255-Q259 PolarHBondContact O-N 2.8Å; L256-Q259 WeakPolarHBondContact O-CA 3.48Å; L256-Q259 WeakPolarHBondContact O-CB 3.11Å; L256-Q259 PolarHBondContact O-N 3.09Å; L257-Q259 VanDerWaalsContact C-N 3.35Å; Q259-Q261 VanDerWaalsContact C-N 3.32Å; Q259-Q261 PolarHBondContact O-N 3Å; Q259-Q262 PolarHBondContact O-N 2.75Å; Q259-Q262 VanDerWaalsContact O-N 3.15Å; Q259-D263 PolarHBondContact O-N 3.04Å; Q259-L266 HydrophobicContact CB-CD1 4.39Å; Q259-Y269 VanDerWaalsContact OE1-CE2 3.29Å; Q259-Y269 PolarHBondContact OE1-OH 3.23Å
260	I	92.3	Very high	92.4	Very high	6 Å²	6	40.1 Å²	40.1	3%	0.031	20%	0.199	C	C	.	.	H	α-helix	trans	-64.5	-36.8	176.2	-60.8	165.3	0	0	0	111.6	L256 L257 R258 Q262 D263 K264 L266 L287 V290 L291 M531	L256-I260 HydrophobicContact CG-CD1 4.35Å; L256-I260 WeakPolarHBondContact O-CG1 3.31Å; L256-I260 PolarHBondContact O-N 2.72Å; L257-I260 PolarHBondContact O-N 2.91Å; R258-I260 VanDerWaalsContact C-N 3.35Å; I260-Q262 PolarHBondContact O-N 2.78Å; I260-D263 WeakPolarHBondContact CA-O 3.28Å; I260-D263 CarbonylContact O-C 3.59Å; I260-D263 PolarHBondContact O-N 3.16Å; I260-K264 WeakPolarHBondContact O-CA 3.33Å; I260-K264 PolarHBondContact O-N 3.22Å; I260-L266 HydrophobicContact CD1-CD2 4.36Å; I260-L266 HydrophobicContact CG1-CD1 3.92Å; I260-L266 HydrophobicContact CG1-CD2 4.09Å; I260-L266 HydrophobicContact CG1-CG 4.41Å; I260-L287 HydrophobicContact CD1-CD1 3.77Å; I260-V290 HydrophobicContact CD1-CG1 4.03Å; I260-V290 HydrophobicContact CG2-CG1 3.88Å; I260-L291 HydrophobicContact CD1-CD2 4.42Å; I260-M531 HydrophobicContact CB-CE 4.19Å; I260-M531 HydrophobicContact CG2-CE 3.65Å
261	Q	88.8	Confident	92.5	Very high	39 Å²	39	40.1 Å²	40.1	18%	0.182	20%	0.199	C	C	.	.	H	α-helix	trans	-61.8	-30.8	175.4	-169.3	-173.7	11.9	0	0	112.5	L257 R258 Q259 S530 M531 A577	L257-Q261 PolarHBondContact O-N 2.86Å; R258-Q261 PolarHBondContact O-N 3.39Å; Q259-Q261 VanDerWaalsContact C-N 3.32Å; Q259-Q261 PolarHBondContact O-N 3Å; Q261-S530 PolarHBondContact NE2-OG 3.25Å; Q261-M531 HydrophobicContact CB-CG 4.19Å; Q261-M531 HydrophobicContact CG-CG 4.01Å; Q261-A577 PolarHBondContact NE2-O 3.38Å
262	Q	86.8	Confident	92.6	Very high	151 Å²	151	40.1 Å²	40.1	71%	0.706	20%	0.199	S	C	*	.	H	α-helix	trans	-89.1	-37.9	177.8	-67.2	-178.8	-25	0	0	112.6	R258 Q259 I260	R258-Q262 PolarHBondContact O-N 3.2Å; Q259-Q262 PolarHBondContact O-N 2.75Å; Q259-Q262 VanDerWaalsContact O-N 3.15Å; I260-Q262 PolarHBondContact O-N 2.78Å
263	D	91.1	Very high	92.8	Very high	47 Å²	47	39.1 Å²	39.1	25%	0.251	19%	0.193	S	C	.	.			trans	-126.2	93.8	179.3	170.8	12.2	0	0	0	108.6	Q259 I260 M265 L266 D267	Q259-D263 PolarHBondContact O-N 3.04Å; I260-D263 WeakPolarHBondContact CA-O 3.28Å; I260-D263 CarbonylContact O-C 3.59Å; I260-D263 PolarHBondContact O-N 3.16Å; D263-M265 PolarHBondContact O-N 2.95Å; D263-M265 PolarHBondContact OD1-N 3.23Å; D263-L266 PolarHBondContact O-N 2.8Å; D263-L266 VanDerWaalsContact O-N 3.16Å; D263-L266 PolarHBondContact OD1-N 2.77Å; D263-L266 VanDerWaalsContact OD1-N 3.08Å; D263-L266 WeakPolarHBondContact OD2-CA 3.16Å; D263-D267 PolarHBondContact OD2-N 3.42Å
264	K	89.8	Confident	92.9	Very high	119 Å²	119	38.7 Å²	38.7	52%	0.517	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-30.4	-175.3	-67	-171.5	177.2	-170.7	0	112.7	I260 L294 D532	I260-K264 WeakPolarHBondContact O-CA 3.33Å; I260-K264 PolarHBondContact O-N 3.22Å; K264-L294 WeakPolarHBondContact O-CD1 3.31Å; K264-D532 IonicContact NZ-OD2 2.68Å; K264-D532 PolarHBondContact NZ-OD2 3.08Å
265	M	91.6	Very high	93.1	Very high	71 Å²	71	37.2 Å²	37.2	35%	0.35	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-15.6	-177.5	-63.4	-54.6	-65.8	0	0	113.1	D263 D267 D297 R298	D263-M265 PolarHBondContact O-N 2.95Å; D263-M265 PolarHBondContact OD1-N 3.23Å; M265-D267 VanDerWaalsContact C-N 3.3Å; M265-D267 PolarHBondContact O-N 3.04Å; M265-D297 HydrophobicContact CE-CB 4.13Å; M265-R298 HydrophobicContact CE-CG 3.7Å; M265-R298 PolarHBondContact O-NH1 3.31Å
266	L	94.1	Very high	93	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.175	C	C	.	.			trans	56	41.9	-179.3	-163.2	64.3	0	0	0	112.5	L256 Q259 I260 D263 Q268 Y269 V272 L291 L294	L256-L266 HydrophobicContact CD1-CD1 3.94Å; L256-L266 HydrophobicContact CD1-CD2 4.08Å; Q259-L266 HydrophobicContact CB-CD1 4.39Å; I260-L266 HydrophobicContact CD1-CD2 4.36Å; I260-L266 HydrophobicContact CG1-CD1 3.92Å; I260-L266 HydrophobicContact CG1-CD2 4.09Å; I260-L266 HydrophobicContact CG1-CG 4.41Å; D263-L266 PolarHBondContact O-N 2.8Å; D263-L266 VanDerWaalsContact O-N 3.16Å; D263-L266 PolarHBondContact OD1-N 2.77Å; D263-L266 VanDerWaalsContact OD1-N 3.08Å; D263-L266 WeakPolarHBondContact OD2-CA 3.16Å; L266-Q268 PolarHBondContact O-N 3.24Å; L266-Y269 HydrophobicContact CD1-CD2 3.72Å; L266-Y269 HydrophobicContact CD1-CE2 3.9Å; L266-Y269 HydrophobicContact CD2-CD2 4.08Å; L266-Y269 HydrophobicContact CG-CD2 3.74Å; L266-Y269 HydrophobicContact CG-CE2 4.43Å; L266-Y269 PolarHBondContact O-N 2.85Å; L266-V272 HydrophobicContact CD2-CG2 4.11Å; L266-L291 HydrophobicContact CD2-CD2 4.5Å; L266-L294 HydrophobicContact CB-CD2 3.94Å; L266-L294 HydrophobicContact CD2-CD2 4.33Å
267	D	90.9	Very high	92.9	Very high	109 Å²	109	37.1 Å²	37.1	58%	0.583	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-24.6	-171.3	-74.6	-32.9	0	0	0	114	D263 M265 Y269 R298	D263-D267 PolarHBondContact OD2-N 3.42Å; M265-D267 VanDerWaalsContact C-N 3.3Å; M265-D267 PolarHBondContact O-N 3.04Å; D267-Y269 PolarHBondContact O-N 3.46Å; D267-R298 IonicContact OD1-CZ 3.86Å; D267-R298 IonicContact OD1-NH1 3.58Å; D267-R298 PolarHBondContact OD1-NH1 3.34Å
268	Q	92.6	Very high	92.6	Very high	54 Å²	54	37.8 Å²	37.8	25%	0.252	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-7.6	-178.7	71.5	-177.6	-43.9	0	0	114.8	H202 L266	H202-Q268 VanDerWaalsContact CB-O 3.3Å; H202-Q268 WeakPolarHBondContact CB-O 3.19Å; L266-Q268 PolarHBondContact O-N 3.24Å
269	Y	96.1	Very high	92.4	Very high	8 Å²	8	36.6 Å²	36.6	3%	0.031	18%	0.175	C	C	.	.			trans	-126.8	136.6	-179.6	-57.8	-59.3	0	0	0	112.9	H202 A204 L249 L256 Q259 L266 D267	H202-Y269 WeakPolarHBondContact O-CA 3.36Å; A204-Y269 HydrophobicContact CB-CD1 3.71Å; A204-Y269 HydrophobicContact CB-CD2 4Å; A204-Y269 HydrophobicContact CB-CE1 3.83Å; A204-Y269 HydrophobicContact CB-CE2 4.12Å; A204-Y269 HydrophobicContact CB-CG 3.82Å; L249-Y269 HydrophobicContact CD2-CE1 4.29Å; L249-Y269 WeakPolarHBondContact CD2-OH 3.49Å; L256-Y269 HydrophobicContact CD1-CD2 4.17Å; L256-Y269 HydrophobicContact CD1-CE2 3.74Å; Q259-Y269 VanDerWaalsContact OE1-CE2 3.29Å; Q259-Y269 PolarHBondContact OE1-OH 3.23Å; L266-Y269 HydrophobicContact CD1-CD2 3.72Å; L266-Y269 HydrophobicContact CD1-CE2 3.9Å; L266-Y269 HydrophobicContact CD2-CD2 4.08Å; L266-Y269 HydrophobicContact CG-CD2 3.74Å; L266-Y269 HydrophobicContact CG-CE2 4.43Å; L266-Y269 PolarHBondContact O-N 2.85Å; D267-Y269 PolarHBondContact O-N 3.46Å
270	Q	95.9	Very high	92.4	Very high	77 Å²	77	36.9 Å²	36.9	36%	0.36	18%	0.175	S	C	.	.	S	Bend	trans	-92.7	-33	172.8	-172.2	-175.8	15.2	0	0	111.6	S201 H202 R302	S201-Q270 WeakPolarHBondContact O-CB 3.48Å; S201-Q270 PolarHBondContact O-OE1 3.44Å; H202-Q270 PolarHBondContact O-N 3.03Å; Q270-R302 PolarHBondContact O-N 2.85Å; Q270-R302 VanDerWaalsContact O-N 3.11Å
271	V	97.9	Very high	92.3	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	129.4	-177.3	-171.4	0	0	0	0	109.4	L195 F200 I203 A204 I273 R302 I304	L195-V271 HydrophobicContact CD1-CG1 4.17Å; F200-V271 HydrophobicContact CB-CG2 4.26Å; F200-V271 HydrophobicContact CD1-CG2 3.58Å; F200-V271 HydrophobicContact CE1-CG2 4.16Å; F200-V271 HydrophobicContact CG-CG2 4.1Å; I203-V271 WeakPolarHBondContact CA-O 3.44Å; I203-V271 HydrophobicContact CG1-CB 4.27Å; I203-V271 HydrophobicContact CG1-CG2 4.49Å; I203-V271 HydrophobicContact CG2-CB 4.34Å; A204-V271 PolarHBondContact N-O 2.89Å; V271-I273 HydrophobicContact CG1-CG1 4.35Å; V271-R302 CarbonylContact C-O 3.58Å; V271-R302 WeakPolarHBondContact CA-O 3.18Å; V271-R302 HydrophobicContact CG1-CB 4.22Å; V271-R302 HydrophobicContact CG2-CB 4.21Å; V271-I304 HydrophobicContact CG1-CD1 3.96Å; V271-I304 HydrophobicContact CG1-CG1 4.34Å
272	V	98.2	Very high	92.4	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	124.6	172.1	176.6	0	0	0	0	108.6	A204 L256 L266 V274 L291 L301 R302 L303 I304	A204-V272 HydrophobicContact CB-CG2 4.33Å; A204-V272 CarbonylContact O-C 3.52Å; A204-V272 WeakPolarHBondContact O-CA 3.41Å; L256-V272 HydrophobicContact CD2-CG1 3.95Å; L266-V272 HydrophobicContact CD2-CG2 4.11Å; V272-V274 HydrophobicContact CG1-CG2 4.15Å; V272-L291 HydrophobicContact CG1-CD1 4.07Å; V272-L301 HydrophobicContact CG2-CD1 4.12Å; V272-R302 PolarHBondContact N-O 2.72Å; V272-L303 HydrophobicContact CB-CD1 4.26Å; V272-L303 HydrophobicContact CG1-CD1 4.14Å; V272-L303 CarbonylContact O-C 3.56Å; V272-L303 WeakPolarHBondContact O-CA 3.33Å; V272-L303 WeakPolarHBondContact O-CD1 3.43Å; V272-I304 PolarHBondContact O-N 3.36Å
273	I	98.3	Very high	92.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	120.2	174.1	-51.1	176.2	0	0	0	107	V191 P192 L195 I203 A204 C205 T206 V271 I304 M306	V191-I273 HydrophobicContact CG1-CD1 4.45Å; P192-I273 HydrophobicContact CB-CD1 4.19Å; P192-I273 HydrophobicContact CG-CD1 3.89Å; L195-I273 HydrophobicContact CD1-CD1 3.8Å; L195-I273 HydrophobicContact CD1-CG1 4.42Å; I203-I273 HydrophobicContact CG2-CD1 3.81Å; I203-I273 HydrophobicContact CG2-CG1 4.2Å; A204-I273 PolarHBondContact O-N 3.34Å; C205-I273 CarbonylContact C-O 3.56Å; C205-I273 WeakPolarHBondContact CA-O 3.3Å; C205-I273 HydrophobicContact CB-CB 4.18Å; C205-I273 HydrophobicContact CB-CD1 4.46Å; T206-I273 PolarHBondContact N-O 2.89Å; T206-I273 PolarHBondContact OG1-O 3.34Å; V271-I273 HydrophobicContact CG1-CG1 4.35Å; I273-I304 CarbonylContact C-O 3.6Å; I273-I304 WeakPolarHBondContact CA-O 3.37Å; I273-I304 HydrophobicContact CG1-CB 4.23Å; I273-I304 HydrophobicContact CG1-CD1 4.2Å; I273-I304 HydrophobicContact CG2-CB 4.31Å; I273-I304 HydrophobicContact CG2-CG2 4.38Å; I273-M306 HydrophobicContact CG2-CE 3.35Å; I273-M306 HydrophobicContact CG2-CG 4.02Å; I273-M306 HydrophobicContact CG2-SD 3.86Å
274	V	97	Very high	92.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	105.8	171.3	-169.6	0	0	0	0	107.8	T206 V272 V277 L287 L288 L291 L303 I304 L305 M306	T206-V274 WeakPolarHBondContact OG1-CA 3.49Å; V272-V274 HydrophobicContact CG1-CG2 4.15Å; V274-V277 HydrophobicContact CB-CG1 3.99Å; V274-V277 HydrophobicContact CG1-CG1 3.6Å; V274-V277 WeakPolarHBondContact O-CG1 3.24Å; V274-L287 HydrophobicContact CG2-CD2 4.31Å; V274-L288 HydrophobicContact CB-CD2 4.27Å; V274-L288 HydrophobicContact CG1-CD2 4.21Å; V274-L288 HydrophobicContact CG2-CD2 4.1Å; V274-L291 HydrophobicContact CG2-CD1 3.94Å; V274-L303 HydrophobicContact CG2-CD1 3.88Å; V274-I304 PolarHBondContact N-O 3.48Å; V274-L305 HydrophobicContact CB-CD2 4.02Å; V274-L305 HydrophobicContact CG2-CD2 4.29Å; V274-M306 PolarHBondContact O-N 3Å
275	D	94.1	Very high	93.1	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.13	C	C	.	.			trans	-90	158.1	-179.7	-159	11	0	0	0	112.1	S188 T206 Q207 V277 M306	S188-D275 WeakPolarHBondContact CB-OD2 3.17Å; S188-D275 PolarHBondContact OG-OD2 3.23Å; T206-D275 WeakPolarHBondContact O-CB 3.3Å; Q207-D275 PolarHBondContact NE2-OD2 3.1Å; D275-V277 PolarHBondContact O-N 3.08Å; D275-M306 HydrophobicContact CB-CE 3.59Å; D275-M306 VanDerWaalsContact OD1-CB 3.27Å; D275-M306 WeakPolarHBondContact OD1-CB 3.49Å; D275-M306 VanDerWaalsContact OD1-CE 3.3Å; D275-M306 WeakPolarHBondContact OD1-CE 3.26Å
276	E	90.2	Very high	93.2	Very high	27 Å²	27	23.6 Å²	23.6	13%	0.126	11%	0.113	C	C	.	.			trans	54.8	33	177.4	-47.4	-65.3	-153.5	0	0	114.6	P208 H278 E279 M306	P208-E276 HydrophobicContact CG-CB 4.13Å; P208-E276 HydrophobicContact CG-CG 4.41Å; E276-H278 PolarHBondContact O-N 2.59Å; E276-H278 IonicContact OE2-CE1 3.15Å; E276-H278 PolarHBondContact OE2-CE1 3.24Å; E276-H278 IonicContact OE2-ND1 2.72Å; E276-E279 HydrophobicContact CB-CG 4.36Å; E276-E279 PolarHBondContact O-N 3.38Å; E276-M306 PolarHBondContact N-O 3.41Å; E276-M306 VanDerWaalsContact N-O 3.09Å
277	V	91.9	Very high	93.3	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-56.9	-21	-177.6	-62.1	0	0	0	0	113.8	V274 D275 E279 R280 L288 L305 M306 F315	V274-V277 HydrophobicContact CB-CG1 3.99Å; V274-V277 HydrophobicContact CG1-CG1 3.6Å; V274-V277 WeakPolarHBondContact O-CG1 3.24Å; D275-V277 PolarHBondContact O-N 3.08Å; V277-E279 VanDerWaalsContact C-N 3.27Å; V277-E279 PolarHBondContact O-N 3.15Å; V277-R280 WeakPolarHBondContact O-CD 3.46Å; V277-R280 PolarHBondContact O-N 3.44Å; V277-L288 HydrophobicContact CB-CD1 4.49Å; V277-L288 HydrophobicContact CG1-CD1 4.24Å; V277-L305 HydrophobicContact CG1-CB 4.38Å; V277-L305 HydrophobicContact CG1-CD2 4.36Å; V277-M306 PolarHBondContact N-O 3.27Å; V277-F315 HydrophobicContact CB-CD1 4.49Å; V277-F315 HydrophobicContact CB-CE1 3.89Å; V277-F315 HydrophobicContact CB-CE2 4.41Å; V277-F315 HydrophobicContact CB-CZ 3.84Å; V277-F315 HydrophobicContact CG2-CD1 4.26Å; V277-F315 HydrophobicContact CG2-CD2 4.03Å; V277-F315 HydrophobicContact CG2-CE1 3.94Å; V277-F315 HydrophobicContact CG2-CE2 3.7Å; V277-F315 HydrophobicContact CG2-CG 4.3Å; V277-F315 HydrophobicContact CG2-CZ 3.65Å; V277-F315 VanDerWaalsContact O-CZ 3.29Å; V277-F315 WeakPolarHBondContact O-CZ 3.47Å
278	H	87.4	Confident	93.5	Very high	15 Å²	15	18.4 Å²	18.4	7%	0.069	9%	0.085	C	C	.	.	G	3₁₀ helix	trans	-72.5	-13.7	178.6	67.4	-87.8	0	0	0	114.7	E276 R280 A308 T309 Q483	E276-H278 PolarHBondContact O-N 2.59Å; E276-H278 IonicContact OE2-CE1 3.15Å; E276-H278 PolarHBondContact OE2-CE1 3.24Å; E276-H278 IonicContact OE2-ND1 2.72Å; H278-R280 PolarHBondContact O-N 3.45Å; H278-A308 WeakPolarHBondContact CE1-CB 3.18Å; H278-A308 PolarHBondContact ND1-N 3.06Å; H278-A308 VanDerWaalsContact ND1-N 3.16Å; H278-T309 HydrophobicContact CB-CG2 4.13Å; H278-T309 VanDerWaalsContact CB-OG1 3.27Å; H278-T309 WeakPolarHBondContact CB-OG1 3.33Å; H278-Q483 PolarHBondContact CD2-NE2 3.38Å; H278-Q483 VanDerWaalsContact CD2-NE2 3.33Å; H278-Q483 PolarHBondContact NE2-NE2 2.88Å
279	E	84.9	Confident	93.6	Very high	30 Å²	30	15.8 Å²	15.8	14%	0.14	7%	0.073	C	C	.	.	G	3₁₀ helix	trans	-73	-14.4	174.2	-65.6	-164.2	-163.1	0	0	112.1	R209 E276 V277 H281 T441	R209-E279 IonicContact CZ-OE2 3.54Å; R209-E279 IonicContact NE-OE2 3.72Å; R209-E279 IonicContact NH2-OE1 2.82Å; R209-E279 IonicContact NH2-OE2 2.9Å; R209-E279 PolarHBondContact NH2-OE2 3.46Å; E276-E279 HydrophobicContact CB-CG 4.36Å; E276-E279 PolarHBondContact O-N 3.38Å; V277-E279 VanDerWaalsContact C-N 3.27Å; V277-E279 PolarHBondContact O-N 3.15Å; E279-H281 VanDerWaalsContact C-N 3.29Å; E279-H281 WeakPolarHBondContact CB-NE2 3.45Å; E279-H281 PolarHBondContact O-N 2.79Å; E279-H281 IonicContact OE2-CD2 3.94Å; E279-H281 IonicContact OE2-CE1 2.9Å; E279-H281 IonicContact OE2-NE2 3.69Å; E279-H281 PolarHBondContact OE2-NE2 3.3Å; E279-T441 HydrophobicContact CG-CG2 4.38Å; E279-T441 WeakPolarHBondContact OE1-CB 3.46Å; E279-T441 PolarHBondContact OE1-OG1 3.44Å
280	R	90.1	Very high	93.6	Very high	22 Å²	22	15.7 Å²	15.7	8%	0.083	7%	0.073	C	C	.	.			trans	51.9	44.6	174.1	-58.8	-58.5	-55.8	-77.2	-4.8	113.5	V277 H278 D285 P514 E515 D543	V277-R280 WeakPolarHBondContact O-CD 3.46Å; V277-R280 PolarHBondContact O-N 3.44Å; H278-R280 PolarHBondContact O-N 3.45Å; R280-D285 IonicContact CZ-OD1 2.65Å; R280-D285 IonicContact CZ-OD2 3.57Å; R280-D285 VanDerWaalsContact CZ-OD2 3.3Å; R280-D285 IonicContact NE-OD1 3.79Å; R280-D285 PolarHBondContact NE-OD1 3.45Å; R280-D285 IonicContact NE-OD2 2.65Å; R280-D285 PolarHBondContact NE-OD2 2.93Å; R280-D285 IonicContact NH2-OD1 3.17Å; R280-D285 IonicContact NH2-OD2 3.09Å; R280-D285 PolarHBondContact NH2-OD2 3.39Å; R280-P514 HydrophobicContact CB-CB 4.13Å; R280-E515 WeakPolarHBondContact O-CB 3.48Å; R280-E515 PolarHBondContact O-N 2.61Å; R280-D543 IonicContact CZ-OD2 2.74Å; R280-D543 IonicContact NH1-OD2 2.72Å; R280-D543 PolarHBondContact NH1-OD2 3.12Å; R280-D543 IonicContact NH2-OD2 3.68Å; R280-D543 PolarHBondContact NH2-OD2 3.18Å
281	H	90.4	Very high	93.6	Very high	44 Å²	44	12.1 Å²	12.1	20%	0.204	6%	0.056	C	C	.	.			trans	-69.6	151.6	174.9	-70.4	-54.8	0	0	0	112.5	P208 E279 H283 C284 D285 E515	P208-H281 VanDerWaalsContact CB-CD2 3.44Å; P208-H281 WeakPolarHBondContact CB-CD2 3.45Å; E279-H281 VanDerWaalsContact C-N 3.29Å; E279-H281 WeakPolarHBondContact CB-NE2 3.45Å; E279-H281 PolarHBondContact O-N 2.79Å; E279-H281 IonicContact OE2-CD2 3.94Å; E279-H281 IonicContact OE2-CE1 2.9Å; E279-H281 IonicContact OE2-NE2 3.69Å; E279-H281 PolarHBondContact OE2-NE2 3.3Å; H281-H283 PolarHBondContact O-N 2.88Å; H281-C284 HydrophobicContact CB-CB 4.08Å; H281-C284 PolarHBondContact O-N 2.98Å; H281-D285 PolarHBondContact O-N 3.27Å; H281-E515 VanDerWaalsContact CA-OE2 3.26Å; H281-E515 WeakPolarHBondContact CA-OE2 3.46Å; H281-E515 IonicContact CG-OE2 3.75Å; H281-E515 IonicContact ND1-OE2 3.17Å; H281-E515 PolarHBondContact ND1-OE2 3.41Å; H281-E515 VanDerWaalsContact ND1-OE2 3.15Å
282	L	92	Very high	93.4	Very high	23 Å²	23	16.1 Å²	16.1	12%	0.12	7%	0.072	C	C	.	.	H	α-helix	trans	-53.9	-50.2	180	180	70.7	0	0	0	112.1	F286 E515 I516 V519 L521 L524	L282-F286 WeakPolarHBondContact O-CB 3.37Å; L282-F286 PolarHBondContact O-N 2.7Å; L282-F286 VanDerWaalsContact O-N 3.07Å; L282-E515 HydrophobicContact CB-CG 4.3Å; L282-E515 PolarHBondContact N-OE2 2.9Å; L282-E515 VanDerWaalsContact N-OE2 3.08Å; L282-I516 HydrophobicContact CD1-CB 3.95Å; L282-I516 HydrophobicContact CD1-CD1 4.44Å; L282-I516 HydrophobicContact CD1-CG1 3.8Å; L282-V519 HydrophobicContact CD1-CG2 4Å; L282-V519 HydrophobicContact CD2-CG2 3.94Å; L282-V519 HydrophobicContact CG-CG2 4.4Å; L282-L521 HydrophobicContact CD1-CD2 4.11Å; L282-L524 HydrophobicContact CD1-CD2 4.06Å
283	H	92.7	Very high	93	Very high	84 Å²	84	18.4 Å²	18.4	39%	0.389	9%	0.088	S	C	.	.	H	α-helix	trans	-71.2	-35.6	-177.8	-68.8	-53.2	0	0	0	112.8	E253 L257 H281 L287	E253-H283 HydrophobicContact CB-CB 4.05Å; L257-H283 HydrophobicContact CD1-CB 4.08Å; H281-H283 PolarHBondContact O-N 2.88Å; H283-L287 WeakPolarHBondContact O-CB 3.45Å; H283-L287 PolarHBondContact O-N 2.83Å
284	C	93.7	Very high	92.8	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.007	9%	0.09	C	C	.	.	H	α-helix	trans	-61.6	-53.9	174.4	-179.5	0	0	0	0	110.9	E253 H281 F286 L287 L288	E253-C284 WeakPolarHBondContact OE2-CA 3.24Å; E253-C284 WeakPolarHBondContact OE2-CB 3.45Å; E253-C284 PolarHBondContact OE2-N 3.39Å; H281-C284 HydrophobicContact CB-CB 4.08Å; H281-C284 PolarHBondContact O-N 2.98Å; C284-F286 VanDerWaalsContact C-N 3.32Å; C284-F286 PolarHBondContact O-N 3.42Å; C284-L287 WeakPolarHBondContact O-CB 3.27Å; C284-L287 PolarHBondContact O-N 3.42Å; C284-L288 VanDerWaalsContact O-CG 3.32Å; C284-L288 WeakPolarHBondContact O-CG 3.42Å; C284-L288 PolarHBondContact O-N 3.42Å
285	D	94.4	Very high	92.7	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.005	10%	0.097	C	C	.	.	H	α-helix	trans	-61.5	-41.5	-178.8	-82	16.3	0	0	0	111.4	R280 H281 L288 G289	R280-D285 IonicContact CZ-OD1 2.65Å; R280-D285 IonicContact CZ-OD2 3.57Å; R280-D285 VanDerWaalsContact CZ-OD2 3.3Å; R280-D285 IonicContact NE-OD1 3.79Å; R280-D285 PolarHBondContact NE-OD1 3.45Å; R280-D285 IonicContact NE-OD2 2.65Å; R280-D285 PolarHBondContact NE-OD2 2.93Å; R280-D285 IonicContact NH2-OD1 3.17Å; R280-D285 IonicContact NH2-OD2 3.09Å; R280-D285 PolarHBondContact NH2-OD2 3.39Å; H281-D285 PolarHBondContact O-N 3.27Å; D285-L288 PolarHBondContact O-N 2.89Å; D285-G289 PolarHBondContact O-N 3.26Å
286	F	95.1	Very high	92.4	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-64.6	-44.9	174.8	179.1	-129.6	0	0	0	112.3	L257 L282 C284 L288 G289 V290 L524 Q527 M528 M531 L533 F539 F541	L257-F286 HydrophobicContact CD1-CD1 3.73Å; L257-F286 HydrophobicContact CD1-CE1 4.33Å; L257-F286 HydrophobicContact CD2-CD1 3.69Å; L257-F286 HydrophobicContact CD2-CE1 3.8Å; L257-F286 HydrophobicContact CG-CD1 4.37Å; L282-F286 WeakPolarHBondContact O-CB 3.37Å; L282-F286 PolarHBondContact O-N 2.7Å; L282-F286 VanDerWaalsContact O-N 3.07Å; C284-F286 VanDerWaalsContact C-N 3.32Å; C284-F286 PolarHBondContact O-N 3.42Å; F286-L288 VanDerWaalsContact C-N 3.28Å; F286-L288 PolarHBondContact O-N 3.45Å; F286-G289 PolarHBondContact O-N 3.06Å; F286-G289 VanDerWaalsContact O-N 3.11Å; F286-V290 HydrophobicContact CD2-CG2 4.18Å; F286-V290 HydrophobicContact CE1-CG2 4.2Å; F286-V290 HydrophobicContact CE2-CG2 3.74Å; F286-V290 HydrophobicContact CZ-CG2 3.76Å; F286-V290 WeakPolarHBondContact O-CG2 3.34Å; F286-V290 PolarHBondContact O-N 3.27Å; F286-L524 HydrophobicContact CB-CD1 3.85Å; F286-L524 HydrophobicContact CD1-CD1 3.48Å; F286-L524 VanDerWaalsContact CD1-CD1 3.48Å; F286-L524 HydrophobicContact CD2-CD1 3.65Å; F286-L524 HydrophobicContact CE1-CD1 3.88Å; F286-L524 HydrophobicContact CE2-CD1 4.04Å; F286-L524 HydrophobicContact CG-CD1 3.36Å; F286-L524 HydrophobicContact CZ-CD1 4.14Å; F286-Q527 HydrophobicContact CE1-CG 4.14Å; F286-M528 HydrophobicContact CD2-CG 4.41Å; F286-M528 HydrophobicContact CE2-CG 3.47Å; F286-M528 VanDerWaalsContact CE2-CG 3.47Å; F286-M528 HydrophobicContact CE2-SD 4.26Å; F286-M528 HydrophobicContact CZ-CG 3.62Å; F286-M531 HydrophobicContact CE1-SD 4.29Å; F286-M531 HydrophobicContact CZ-SD 4.18Å; F286-L533 HydrophobicContact CE2-CD1 3.79Å; F286-L533 HydrophobicContact CZ-CD1 3.7Å; F286-F539 AromaticContact CD2-CE1 3.92Å; F286-F539 HydrophobicContact CD2-CE1 3.92Å; F286-F539 HydrophobicContact CD2-CZ 4.03Å; F286-F539 HydrophobicContact CE2-CE1 4.13Å; F286-F539 HydrophobicContact CE2-CE2 4.47Å; F286-F539 AromaticContact CE2-CZ 3.88Å; F286-F539 HydrophobicContact CE2-CZ 3.88Å; F286-F541 HydrophobicContact CD2-CE1 4.33Å
287	L	95.8	Very high	92.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-57.9	-41.2	175.7	174.2	65.9	0	0	0	111.5	T206 E253 L256 L257 I260 V274 H283 C284 G289 V290 L291	T206-L287 HydrophobicContact CG2-CD2 4.04Å; E253-L287 HydrophobicContact CB-CD2 4.4Å; E253-L287 HydrophobicContact CG-CD2 4.4Å; L256-L287 HydrophobicContact CD2-CD1 3.99Å; L256-L287 HydrophobicContact CD2-CD2 4.01Å; L256-L287 HydrophobicContact CG-CD1 4.22Å; L257-L287 HydrophobicContact CD1-CB 4.49Å; L257-L287 HydrophobicContact CD2-CB 4.05Å; L257-L287 HydrophobicContact CD2-CD1 3.96Å; L257-L287 HydrophobicContact CG-CB 4.18Å; L257-L287 HydrophobicContact CG-CD1 4.18Å; I260-L287 HydrophobicContact CD1-CD1 3.77Å; V274-L287 HydrophobicContact CG2-CD2 4.31Å; H283-L287 WeakPolarHBondContact O-CB 3.45Å; H283-L287 PolarHBondContact O-N 2.83Å; C284-L287 WeakPolarHBondContact O-CB 3.27Å; C284-L287 PolarHBondContact O-N 3.42Å; L287-G289 VanDerWaalsContact C-N 3.32Å; L287-G289 PolarHBondContact O-N 3.38Å; L287-V290 PolarHBondContact O-N 3.15Å; L287-L291 HydrophobicContact CD1-CD1 3.89Å; L287-L291 HydrophobicContact CD1-CD2 4.45Å; L287-L291 HydrophobicContact CD1-CG 3.89Å; L287-L291 HydrophobicContact CD2-CD1 4.36Å; L287-L291 HydrophobicContact CG-CD1 3.76Å; L287-L291 HydrophobicContact CG-CG 4.2Å; L287-L291 WeakPolarHBondContact O-CB 3.39Å; L287-L291 VanDerWaalsContact O-CG 3.25Å; L287-L291 WeakPolarHBondContact O-CG 3.38Å; L287-L291 PolarHBondContact O-N 2.76Å
288	L	95.7	Very high	92.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-63.3	-38.1	176.8	-68	175.6	0	0	0	112	V274 V277 C284 D285 F286 R292 L305 F315 F319 I542	V274-L288 HydrophobicContact CB-CD2 4.27Å; V274-L288 HydrophobicContact CG1-CD2 4.21Å; V274-L288 HydrophobicContact CG2-CD2 4.1Å; V277-L288 HydrophobicContact CB-CD1 4.49Å; V277-L288 HydrophobicContact CG1-CD1 4.24Å; C284-L288 VanDerWaalsContact O-CG 3.32Å; C284-L288 WeakPolarHBondContact O-CG 3.42Å; C284-L288 PolarHBondContact O-N 3.42Å; D285-L288 PolarHBondContact O-N 2.89Å; F286-L288 VanDerWaalsContact C-N 3.28Å; F286-L288 PolarHBondContact O-N 3.45Å; L288-R292 VanDerWaalsContact O-CB 3.28Å; L288-R292 WeakPolarHBondContact O-CB 3.47Å; L288-R292 PolarHBondContact O-N 2.57Å; L288-L305 HydrophobicContact CD2-CD2 3.43Å; L288-L305 VanDerWaalsContact CD2-CD2 3.43Å; L288-F315 HydrophobicContact CD1-CD1 4.31Å; L288-F315 HydrophobicContact CD1-CE1 4.06Å; L288-F319 HydrophobicContact CB-CE2 4.45Å; L288-F319 HydrophobicContact CB-CZ 4.22Å; L288-F319 HydrophobicContact CD2-CE2 4.14Å; L288-F319 HydrophobicContact CD2-CZ 4.08Å; L288-I542 HydrophobicContact CB-CD1 4.05Å; L288-I542 HydrophobicContact CD1-CD1 3.53Å; L288-I542 HydrophobicContact CG-CD1 4.43Å
289	G	94.6	Very high	92.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-65	-41.7	172.5	0	0	0	0	0	113.8	D285 F286 L287 R292 S293 Y318	D285-G289 PolarHBondContact O-N 3.26Å; F286-G289 PolarHBondContact O-N 3.06Å; F286-G289 VanDerWaalsContact O-N 3.11Å; L287-G289 VanDerWaalsContact C-N 3.32Å; L287-G289 PolarHBondContact O-N 3.38Å; G289-R292 PolarHBondContact O-N 3.49Å; G289-S293 PolarHBondContact O-N 3.22Å; G289-S293 PolarHBondContact O-OG 2.97Å; G289-S293 VanDerWaalsContact O-OG 3.09Å; G289-Y318 VanDerWaalsContact CA-OH 3.23Å; G289-Y318 WeakPolarHBondContact CA-OH 3.46Å
290	V	95	Very high	93.2	Very high	6 Å²	6	35.2 Å²	35.2	4%	0.036	19%	0.193	C	C	.	.	H	α-helix	trans	-65	-47.3	175.8	174.8	0	0	0	0	110.7	L257 I260 F286 L287 R292 S293 L294 M531 L533 F539	L257-V290 HydrophobicContact CD2-CG2 4.22Å; I260-V290 HydrophobicContact CD1-CG1 4.03Å; I260-V290 HydrophobicContact CG2-CG1 3.88Å; F286-V290 HydrophobicContact CD2-CG2 4.18Å; F286-V290 HydrophobicContact CE1-CG2 4.2Å; F286-V290 HydrophobicContact CE2-CG2 3.74Å; F286-V290 HydrophobicContact CZ-CG2 3.76Å; F286-V290 WeakPolarHBondContact O-CG2 3.34Å; F286-V290 PolarHBondContact O-N 3.27Å; L287-V290 PolarHBondContact O-N 3.15Å; V290-R292 VanDerWaalsContact C-N 3.33Å; V290-R292 PolarHBondContact O-N 3.47Å; V290-S293 WeakPolarHBondContact O-CB 3.37Å; V290-S293 PolarHBondContact O-N 2.69Å; V290-S293 VanDerWaalsContact O-N 3.14Å; V290-L294 PolarHBondContact O-N 3.49Å; V290-M531 HydrophobicContact CG1-CE 3.87Å; V290-M531 HydrophobicContact CG2-CE 4.13Å; V290-L533 HydrophobicContact CG2-CD1 3.83Å; V290-F539 HydrophobicContact CG2-CZ 4.26Å
291	L	95.4	Very high	93.5	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-64.6	-36.1	178.8	-70.5	173.4	0	0	0	112.1	I260 L266 V272 V274 L287 S293 L294 L295 L303	I260-L291 HydrophobicContact CD1-CD2 4.42Å; L266-L291 HydrophobicContact CD2-CD2 4.5Å; V272-L291 HydrophobicContact CG1-CD1 4.07Å; V274-L291 HydrophobicContact CG2-CD1 3.94Å; L287-L291 HydrophobicContact CD1-CD1 3.89Å; L287-L291 HydrophobicContact CD1-CD2 4.45Å; L287-L291 HydrophobicContact CD1-CG 3.89Å; L287-L291 HydrophobicContact CD2-CD1 4.36Å; L287-L291 HydrophobicContact CG-CD1 3.76Å; L287-L291 HydrophobicContact CG-CG 4.2Å; L287-L291 WeakPolarHBondContact O-CB 3.39Å; L287-L291 VanDerWaalsContact O-CG 3.25Å; L287-L291 WeakPolarHBondContact O-CG 3.38Å; L287-L291 PolarHBondContact O-N 2.76Å; L291-S293 VanDerWaalsContact C-N 3.25Å; L291-S293 PolarHBondContact O-N 3.26Å; L291-L294 HydrophobicContact CD2-CD2 4.31Å; L291-L294 PolarHBondContact O-N 3.36Å; L291-L295 WeakPolarHBondContact O-CB 3.48Å; L291-L295 VanDerWaalsContact O-CG 3.24Å; L291-L295 WeakPolarHBondContact O-CG 3.46Å; L291-L295 PolarHBondContact O-N 3Å; L291-L303 HydrophobicContact CB-CD2 4.3Å; L291-L303 HydrophobicContact CD1-CD1 3.85Å
292	R	93.8	Very high	93.8	Very high	84 Å²	84	34.6 Å²	34.6	32%	0.317	19%	0.189	S	C	.	.	H	α-helix	trans	-59.6	-38.8	173.7	179.8	175.5	170.5	179.7	-2.1	111.9	L288 G289 V290 Y318 F319	L288-R292 VanDerWaalsContact O-CB 3.28Å; L288-R292 WeakPolarHBondContact O-CB 3.47Å; L288-R292 PolarHBondContact O-N 2.57Å; G289-R292 PolarHBondContact O-N 3.49Å; V290-R292 VanDerWaalsContact C-N 3.33Å; V290-R292 PolarHBondContact O-N 3.47Å; R292-Y318 HydrophobicContact CB-CE1 4.29Å; R292-Y318 PolarHBondContact NH1-O 3.17Å; R292-F319 HydrophobicContact CB-CD1 4.43Å; R292-F319 HydrophobicContact CB-CE1 3.72Å; R292-F319 HydrophobicContact CB-CZ 4.29Å; R292-F319 HydrophobicContact CG-CD1 4.5Å; R292-F319 HydrophobicContact CG-CE1 4.26Å
293	S	91.4	Very high	94.1	Very high	48 Å²	48	33.6 Å²	33.6	34%	0.336	18%	0.184	S	C	.	.	H	α-helix	trans	-70.7	-47.2	175.9	-52.6	0	0	0	0	110.5	G289 V290 L291 L295 A296	G289-S293 PolarHBondContact O-N 3.22Å; G289-S293 PolarHBondContact O-OG 2.97Å; G289-S293 VanDerWaalsContact O-OG 3.09Å; V290-S293 WeakPolarHBondContact O-CB 3.37Å; V290-S293 PolarHBondContact O-N 2.69Å; V290-S293 VanDerWaalsContact O-N 3.14Å; L291-S293 VanDerWaalsContact C-N 3.25Å; L291-S293 PolarHBondContact O-N 3.26Å; S293-L295 VanDerWaalsContact C-N 3.31Å; S293-L295 PolarHBondContact O-N 3.46Å; S293-A296 VanDerWaalsContact O-CB 3.32Å; S293-A296 WeakPolarHBondContact O-CB 3.48Å; S293-A296 PolarHBondContact O-N 2.96Å; S293-A296 VanDerWaalsContact O-N 3.09Å
294	L	93.4	Very high	94.4	Very high	11 Å²	11	29.7 Å²	29.7	6%	0.058	17%	0.166	C	C	.	.	H	α-helix	trans	-60.5	-35.6	179.4	-178.8	60.4	0	0	0	113.5	K264 L266 V290 L291 A296 D297 R298 L301	K264-L294 WeakPolarHBondContact O-CD1 3.31Å; L266-L294 HydrophobicContact CB-CD2 3.94Å; L266-L294 HydrophobicContact CD2-CD2 4.33Å; V290-L294 PolarHBondContact O-N 3.49Å; L291-L294 HydrophobicContact CD2-CD2 4.31Å; L291-L294 PolarHBondContact O-N 3.36Å; L294-A296 PolarHBondContact O-N 3.41Å; L294-D297 CarbonylContact O-C 3.55Å; L294-D297 PolarHBondContact O-N 2.99Å; L294-R298 HydrophobicContact CD1-CB 4.44Å; L294-R298 HydrophobicContact CD1-CG 3.8Å; L294-R298 HydrophobicContact CG-CB 4.41Å; L294-R298 HydrophobicContact CG-CG 4.24Å; L294-R298 WeakPolarHBondContact O-CB 3.28Å; L294-R298 PolarHBondContact O-N 3.14Å; L294-L301 HydrophobicContact CD2-CD2 4.02Å; L294-L301 HydrophobicContact CG-CD2 4.36Å
295	L	93.9	Very high	94.5	Very high	27 Å²	27	29.6 Å²	29.6	14%	0.141	17%	0.165	C	C	.	.	H	α-helix	trans	-62.5	-20.4	177.9	-78.1	166	0	0	0	113.5	V176 L291 S293 L301 L303 F319	V176-L295 HydrophobicContact CG2-CD1 3.49Å; V176-L295 VanDerWaalsContact CG2-CD1 3.49Å; L291-L295 WeakPolarHBondContact O-CB 3.48Å; L291-L295 VanDerWaalsContact O-CG 3.24Å; L291-L295 WeakPolarHBondContact O-CG 3.46Å; L291-L295 PolarHBondContact O-N 3Å; S293-L295 VanDerWaalsContact C-N 3.31Å; S293-L295 PolarHBondContact O-N 3.46Å; L295-L301 HydrophobicContact CD2-CB 4.26Å; L295-L301 HydrophobicContact CD2-CD2 4.29Å; L295-L301 HydrophobicContact CD2-CG 4.36Å; L295-L303 HydrophobicContact CD1-CB 4.28Å; L295-L303 HydrophobicContact CD1-CD2 3.77Å; L295-F319 HydrophobicContact CD1-CD1 4.25Å; L295-F319 HydrophobicContact CD1-CE1 4.06Å
296	A	89.8	Confident	94.5	Very high	72 Å²	72	29.6 Å²	29.6	60%	0.595	17%	0.165	S	C	*	.	H	α-helix	trans	-70.3	-37.3	172	0	0	0	0	0	111.5	S293 L294	S293-A296 VanDerWaalsContact O-CB 3.32Å; S293-A296 WeakPolarHBondContact O-CB 3.48Å; S293-A296 PolarHBondContact O-N 2.96Å; S293-A296 VanDerWaalsContact O-N 3.09Å; L294-A296 PolarHBondContact O-N 3.41Å
297	D	92.2	Very high	94.2	Very high	116 Å²	116	29.6 Å²	29.6	62%	0.62	17%	0.165	S	C	*	.	H	α-helix	trans	-89.3	-22.4	-179.3	-57	-38.7	0	0	0	112.7	M265 L294 P299	M265-D297 HydrophobicContact CE-CB 4.13Å; L294-D297 CarbonylContact O-C 3.55Å; L294-D297 PolarHBondContact O-N 2.99Å; D297-P299 WeakPolarHBondContact O-CD 3.44Å
298	R	94.3	Very high	93.5	Very high	26 Å²	26	30 Å²	30	10%	0.098	17%	0.169	C	C	.	.			trans	-121.2	78	-178.7	-71.3	-67.4	-61.6	-101.2	14.7	112.4	M265 D267 L294 D300 L301	M265-R298 HydrophobicContact CE-CG 3.7Å; M265-R298 PolarHBondContact O-NH1 3.31Å; D267-R298 IonicContact OD1-CZ 3.86Å; D267-R298 IonicContact OD1-NH1 3.58Å; D267-R298 PolarHBondContact OD1-NH1 3.34Å; L294-R298 HydrophobicContact CD1-CB 4.44Å; L294-R298 HydrophobicContact CD1-CG 3.8Å; L294-R298 HydrophobicContact CG-CB 4.41Å; L294-R298 HydrophobicContact CG-CG 4.24Å; L294-R298 WeakPolarHBondContact O-CB 3.28Å; L294-R298 PolarHBondContact O-N 3.14Å; R298-D300 IonicContact CZ-OD1 2.71Å; R298-D300 IonicContact CZ-OD2 3.72Å; R298-D300 IonicContact NE-OD1 3.94Å; R298-D300 PolarHBondContact NE-OD1 3.3Å; R298-D300 IonicContact NE-OD2 3.11Å; R298-D300 PolarHBondContact NE-OD2 2.87Å; R298-D300 IonicContact NH2-OD1 3.06Å; R298-D300 IonicContact NH2-OD2 3.57Å; R298-D300 PolarHBondContact NH2-OD2 3.47Å; R298-D300 PolarHBondContact O-N 3.25Å; R298-L301 HydrophobicContact CB-CB 3.92Å; R298-L301 WeakPolarHBondContact O-CB 3.39Å; R298-L301 PolarHBondContact O-N 2.99Å
299	P	90.2	Very high	92.3	Very high	95 Å²	95	31.1 Å²	31.1	62%	0.617	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-15.1	178.1	30.1	-35.9	0	0	0	113.5	D297 R302	D297-P299 WeakPolarHBondContact O-CD 3.44Å; P299-R302 PolarHBondContact O-NH1 3.08Å
300	D	93.9	Very high	90.6	Very high	78 Å²	78	37.3 Å²	37.3	42%	0.417	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-26.4	174.9	65.5	-52.9	0	0	0	112.8	R298 R302	R298-D300 IonicContact CZ-OD1 2.71Å; R298-D300 IonicContact CZ-OD2 3.72Å; R298-D300 IonicContact NE-OD1 3.94Å; R298-D300 PolarHBondContact NE-OD1 3.3Å; R298-D300 IonicContact NE-OD2 3.11Å; R298-D300 PolarHBondContact NE-OD2 2.87Å; R298-D300 IonicContact NH2-OD1 3.06Å; R298-D300 IonicContact NH2-OD2 3.57Å; R298-D300 PolarHBondContact NH2-OD2 3.47Å; R298-D300 PolarHBondContact O-N 3.25Å; D300-R302 PolarHBondContact O-NH1 2.93Å
301	L	96.3	Very high	89.6	Confident	2 Å²	2	39.1 Å²	39.1	1%	0.01	22%	0.217	C	C	.	.			trans	-64.1	138.4	178.7	-176.8	64.7	0	0	0	110.5	V272 L294 L295 R298	V272-L301 HydrophobicContact CG2-CD1 4.12Å; L294-L301 HydrophobicContact CD2-CD2 4.02Å; L294-L301 HydrophobicContact CG-CD2 4.36Å; L295-L301 HydrophobicContact CD2-CB 4.26Å; L295-L301 HydrophobicContact CD2-CD2 4.29Å; L295-L301 HydrophobicContact CD2-CG 4.36Å; R298-L301 HydrophobicContact CB-CB 3.92Å; R298-L301 WeakPolarHBondContact O-CB 3.39Å; R298-L301 PolarHBondContact O-N 2.99Å
302	R	97.4	Very high	89.1	Confident	51 Å²	51	39.7 Å²	39.7	19%	0.192	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	125.7	173.8	-60.1	-59.9	-176.1	-108.7	6	110.7	V171 R172 H174 P175 Q270 V271 V272 P299 D300	V171-R302 HydrophobicContact CG1-CB 4.04Å; V171-R302 HydrophobicContact CG1-CG 4.18Å; V171-R302 WeakPolarHBondContact O-CD 3.43Å; V171-R302 PolarHBondContact O-NE 3.09Å; V171-R302 VanDerWaalsContact O-NE 3.09Å; R172-R302 PolarHBondContact O-NH2 3.03Å; H174-R302 WeakPolarHBondContact O-CD 3.38Å; P175-R302 WeakPolarHBondContact O-CA 3.29Å; Q270-R302 PolarHBondContact O-N 2.85Å; Q270-R302 VanDerWaalsContact O-N 3.11Å; V271-R302 CarbonylContact C-O 3.58Å; V271-R302 WeakPolarHBondContact CA-O 3.18Å; V271-R302 HydrophobicContact CG1-CB 4.22Å; V271-R302 HydrophobicContact CG2-CB 4.21Å; V272-R302 PolarHBondContact N-O 2.72Å; P299-R302 PolarHBondContact O-NH1 3.08Å; D300-R302 PolarHBondContact O-NH1 2.93Å
303	L	97.8	Very high	88.8	Confident	3 Å²	3	43.2 Å²	43.2	2%	0.016	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	128.1	179	-179.2	59.5	0	0	0	110.8	P175 V176 I177 V272 V274 L291 L295 L305 F319	P175-L303 PolarHBondContact O-N 3.2Å; V176-L303 CarbonylContact C-O 3.47Å; V176-L303 VanDerWaalsContact CA-O 3.3Å; V176-L303 WeakPolarHBondContact CA-O 3.32Å; V176-L303 HydrophobicContact CG1-CB 4.34Å; V176-L303 HydrophobicContact CG1-CD2 4.23Å; V176-L303 HydrophobicContact CG1-CG 4.29Å; V176-L303 HydrophobicContact CG2-CB 4.22Å; V176-L303 HydrophobicContact CG2-CD2 4.4Å; I177-L303 PolarHBondContact N-O 3.33Å; V272-L303 HydrophobicContact CB-CD1 4.26Å; V272-L303 HydrophobicContact CG1-CD1 4.14Å; V272-L303 CarbonylContact O-C 3.56Å; V272-L303 WeakPolarHBondContact O-CA 3.33Å; V272-L303 WeakPolarHBondContact O-CD1 3.43Å; V274-L303 HydrophobicContact CG2-CD1 3.88Å; L291-L303 HydrophobicContact CB-CD2 4.3Å; L291-L303 HydrophobicContact CD1-CD1 3.85Å; L295-L303 HydrophobicContact CD1-CB 4.28Å; L295-L303 HydrophobicContact CD1-CD2 3.77Å; L303-L305 HydrophobicContact CD1-CD2 4.03Å; L303-L305 HydrophobicContact CD2-CD2 4.11Å; L303-L305 HydrophobicContact CG-CD2 3.92Å; L303-F319 HydrophobicContact CD2-CD1 4.35Å; L303-F319 HydrophobicContact CD2-CE1 3.66Å; L303-F319 HydrophobicContact CD2-CZ 3.76Å
304	I	97.9	Very high	88.7	Confident	1 Å²	1	42.8 Å²	42.8	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	119.1	177.9	-54.6	177.7	0	0	0	108.4	V171 I177 V179 V191 L195 V271 V272 I273 V274 M306	V171-I304 HydrophobicContact CG1-CD1 4.24Å; V171-I304 HydrophobicContact CG2-CD1 3.51Å; V171-I304 HydrophobicContact CG2-CG1 3.98Å; I177-I304 HydrophobicContact CD1-CG1 4.28Å; I177-I304 HydrophobicContact CD1-CG2 4.2Å; I177-I304 HydrophobicContact CG1-CB 4.26Å; I177-I304 HydrophobicContact CG1-CG1 3.9Å; I177-I304 HydrophobicContact CG1-CG2 4.04Å; V179-I304 HydrophobicContact CG2-CG2 4.03Å; V191-I304 HydrophobicContact CG1-CD1 4.4Å; V191-I304 HydrophobicContact CG1-CG2 4.48Å; L195-I304 HydrophobicContact CD1-CD1 3.46Å; L195-I304 VanDerWaalsContact CD1-CD1 3.46Å; L195-I304 HydrophobicContact CD2-CD1 4.28Å; L195-I304 HydrophobicContact CG-CD1 4.43Å; V271-I304 HydrophobicContact CG1-CD1 3.96Å; V271-I304 HydrophobicContact CG1-CG1 4.34Å; V272-I304 PolarHBondContact O-N 3.36Å; I273-I304 CarbonylContact C-O 3.6Å; I273-I304 WeakPolarHBondContact CA-O 3.37Å; I273-I304 HydrophobicContact CG1-CB 4.23Å; I273-I304 HydrophobicContact CG1-CD1 4.2Å; I273-I304 HydrophobicContact CG2-CB 4.31Å; I273-I304 HydrophobicContact CG2-CG2 4.38Å; V274-I304 PolarHBondContact N-O 3.48Å; I304-M306 HydrophobicContact CG2-CG 4.13Å
305	L	96.6	Very high	88.7	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	123.5	175.1	-51.9	-176	0	0	0	109.1	I177 V178 V179 V274 V277 L288 L303 F315 F319	I177-L305 PolarHBondContact O-N 3.37Å; V178-L305 CarbonylContact C-O 3.6Å; V178-L305 WeakPolarHBondContact CA-O 3.43Å; V178-L305 HydrophobicContact CG1-CB 4.21Å; V178-L305 HydrophobicContact CG2-CB 4.32Å; V178-L305 HydrophobicContact CG2-CD1 4.21Å; V179-L305 PolarHBondContact N-O 2.73Å; V274-L305 HydrophobicContact CB-CD2 4.02Å; V274-L305 HydrophobicContact CG2-CD2 4.29Å; V277-L305 HydrophobicContact CG1-CB 4.38Å; V277-L305 HydrophobicContact CG1-CD2 4.36Å; L288-L305 HydrophobicContact CD2-CD2 3.43Å; L288-L305 VanDerWaalsContact CD2-CD2 3.43Å; L303-L305 HydrophobicContact CD1-CD2 4.03Å; L303-L305 HydrophobicContact CD2-CD2 4.11Å; L303-L305 HydrophobicContact CG-CD2 3.92Å; L305-F315 HydrophobicContact CD1-CB 4.07Å; L305-F319 HydrophobicContact CD1-CD2 3.56Å; L305-F319 HydrophobicContact CD1-CE2 3.52Å
306	M	94.3	Very high	88.6	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	126.4	177.3	-57.2	-168.6	-60	0	0	110.9	V179 K187 V191 I273 V274 D275 E276 V277 I304	V179-M306 HydrophobicContact CB-CG 4.37Å; V179-M306 WeakPolarHBondContact O-CA 3.38Å; K187-M306 HydrophobicContact CB-SD 3.98Å; V191-M306 HydrophobicContact CB-SD 3.93Å; V191-M306 HydrophobicContact CG1-SD 4.2Å; V191-M306 HydrophobicContact CG2-SD 3.98Å; I273-M306 HydrophobicContact CG2-CE 3.35Å; I273-M306 HydrophobicContact CG2-CG 4.02Å; I273-M306 HydrophobicContact CG2-SD 3.86Å; V274-M306 PolarHBondContact O-N 3Å; D275-M306 HydrophobicContact CB-CE 3.59Å; D275-M306 VanDerWaalsContact OD1-CB 3.27Å; D275-M306 WeakPolarHBondContact OD1-CB 3.49Å; D275-M306 VanDerWaalsContact OD1-CE 3.3Å; D275-M306 WeakPolarHBondContact OD1-CE 3.26Å; E276-M306 PolarHBondContact N-O 3.41Å; E276-M306 VanDerWaalsContact N-O 3.09Å; V277-M306 PolarHBondContact N-O 3.27Å; I304-M306 HydrophobicContact CG2-CG 4.13Å
307	S	89.6	Confident	88.8	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	142.9	-177.5	177.9	0	0	0	0	111.7	V179 A180 G181 K187 T309	V179-S307 PolarHBondContact O-N 2.88Å; A180-S307 WeakPolarHBondContact CA-O 3.39Å; G181-S307 PolarHBondContact N-O 3.17Å; K187-S307 VanDerWaalsContact CE-O 3.31Å; K187-S307 WeakPolarHBondContact CE-O 3.39Å; S307-T309 PolarHBondContact OG-N 3.29Å; S307-T309 PolarHBondContact OG-O 3.11Å
308	A	80.4	Confident	88.9	Confident	10 Å²	10	40.1 Å²	40.1	8%	0.083	20%	0.203	C	C	.	.	S	Bend	trans	-92	-12.6	172.5	0	0	0	0	0	113.8	G181 T183 H278	G181-A308 WeakPolarHBondContact O-CA 3.45Å; T183-A308 HydrophobicContact CG2-CB 4.1Å; H278-A308 WeakPolarHBondContact CE1-CB 3.18Å; H278-A308 PolarHBondContact ND1-N 3.06Å; H278-A308 VanDerWaalsContact ND1-N 3.16Å
309	T	69.7	Low	88.9	Confident	23 Å²	23	39.6 Å²	39.6	14%	0.141	20%	0.201	C	C	.	.	S	Bend	trans	-116.4	166.7	-171.1	67.4	0	0	0	0	113.2	H278 S307 N311 I312	H278-T309 HydrophobicContact CB-CG2 4.13Å; H278-T309 VanDerWaalsContact CB-OG1 3.27Å; H278-T309 WeakPolarHBondContact CB-OG1 3.33Å; S307-T309 PolarHBondContact OG-N 3.29Å; S307-T309 PolarHBondContact OG-O 3.11Å; T309-N311 VanDerWaalsContact C-N 3.32Å; T309-N311 PolarHBondContact O-N 3.08Å; T309-I312 WeakPolarHBondContact O-CG1 3.5Å
310	I	59.6	Low	88.9	Confident	130 Å²	130	45.3 Å²	45.3	67%	0.667	21%	0.21	S	C	*	.	S	Bend	trans	-74.1	-11.4	-171.9	-63.3	170.1	0	0	0	113.7	I312	I310-I312 PolarHBondContact O-N 3.36Å
311	N	74.3	Confident	88.8	Confident	44 Å²	44	46 Å²	46	24%	0.235	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	49.4	178.7	-158.9	1.5	0	0	0	113.4	T309 K313 L314 F315 Y511	T309-N311 VanDerWaalsContact C-N 3.32Å; T309-N311 PolarHBondContact O-N 3.08Å; N311-K313 VanDerWaalsContact C-N 3.33Å; N311-L314 VanDerWaalsContact OD1-CB 3.3Å; N311-L314 WeakPolarHBondContact OD1-CB 3.34Å; N311-F315 WeakPolarHBondContact O-CD2 3.29Å; N311-Y511 HydrophobicContact CB-CD1 4.39Å; N311-Y511 HydrophobicContact CB-CE1 3.74Å; N311-Y511 HydrophobicContact CB-CE2 4.17Å
312	I	84.9	Confident	88.6	Confident	13 Å²	13	46.2 Å²	46.2	7%	0.067	22%	0.223	C	C	.	.	H	α-helix	trans	-78.9	-26.4	-176.4	-46.6	156.8	0	0	0	110.4	V178 A180 T309 I310 L314 F315 S316 V324	V178-I312 HydrophobicContact CB-CG2 4.13Å; V178-I312 HydrophobicContact CG1-CG2 3.49Å; V178-I312 VanDerWaalsContact CG1-CG2 3.49Å; A180-I312 HydrophobicContact CB-CD1 3.19Å; A180-I312 HydrophobicContact CB-CG1 3.58Å; A180-I312 HydrophobicContact CB-CG2 4.26Å; T309-I312 WeakPolarHBondContact O-CG1 3.5Å; I310-I312 PolarHBondContact O-N 3.36Å; I312-L314 PolarHBondContact O-N 2.8Å; I312-F315 PolarHBondContact O-N 3.2Å; I312-S316 WeakPolarHBondContact O-CB 3.4Å; I312-S316 PolarHBondContact O-N 3.09Å; I312-V324 HydrophobicContact CB-CG1 4.31Å; I312-V324 HydrophobicContact CD1-CG1 4.32Å; I312-V324 HydrophobicContact CG2-CB 4.18Å; I312-V324 HydrophobicContact CG2-CG1 3.4Å; I312-V324 VanDerWaalsContact CG2-CG1 3.4Å; I312-V324 HydrophobicContact CG2-CG2 3.68Å
313	K	87.1	Confident	88.5	Confident	157 Å²	157	45.5 Å²	45.5	68%	0.683	23%	0.225	S	C	*	.	H	α-helix	trans	-59.6	-45	177.1	-66.4	-173.8	178.7	-176.8	0	111.7	N311 F315 S316 E317	N311-K313 VanDerWaalsContact C-N 3.33Å; K313-F315 PolarHBondContact O-N 3.09Å; K313-S316 PolarHBondContact O-N 3.18Å; K313-E317 WeakPolarHBondContact O-CB 3.35Å; K313-E317 WeakPolarHBondContact O-CG 3.44Å; K313-E317 PolarHBondContact O-N 3.26Å
314	L	90.3	Very high	88.4	Confident	39 Å²	39	48.4 Å²	48.4	20%	0.204	24%	0.243	C	C	.	.	H	α-helix	trans	-52.7	-51.8	176.9	178.1	67.3	0	0	0	112	N311 I312 Y318 I542	N311-L314 VanDerWaalsContact OD1-CB 3.3Å; N311-L314 WeakPolarHBondContact OD1-CB 3.34Å; I312-L314 PolarHBondContact O-N 2.8Å; L314-Y318 WeakPolarHBondContact O-CB 3.46Å; L314-Y318 PolarHBondContact O-N 2.89Å; L314-I542 HydrophobicContact CD1-CG2 4Å; L314-I542 HydrophobicContact CD2-CG2 3.86Å; L314-I542 HydrophobicContact CG-CG2 3.94Å
315	F	92.2	Very high	88.1	Confident	2 Å²	2	49 Å²	49	1%	0.009	25%	0.246	C	C	.	.	H	α-helix	trans	-70	-38	-179.5	-61.8	-71.1	0	0	0	112.5	V178 V277 L288 L305 N311 I312 K313 F319 I542	V178-F315 HydrophobicContact CG2-CB 4.47Å; V277-F315 HydrophobicContact CB-CD1 4.49Å; V277-F315 HydrophobicContact CB-CE1 3.89Å; V277-F315 HydrophobicContact CB-CE2 4.41Å; V277-F315 HydrophobicContact CB-CZ 3.84Å; V277-F315 HydrophobicContact CG2-CD1 4.26Å; V277-F315 HydrophobicContact CG2-CD2 4.03Å; V277-F315 HydrophobicContact CG2-CE1 3.94Å; V277-F315 HydrophobicContact CG2-CE2 3.7Å; V277-F315 HydrophobicContact CG2-CG 4.3Å; V277-F315 HydrophobicContact CG2-CZ 3.65Å; V277-F315 VanDerWaalsContact O-CZ 3.29Å; V277-F315 WeakPolarHBondContact O-CZ 3.47Å; L288-F315 HydrophobicContact CD1-CD1 4.31Å; L288-F315 HydrophobicContact CD1-CE1 4.06Å; L305-F315 HydrophobicContact CD1-CB 4.07Å; N311-F315 WeakPolarHBondContact O-CD2 3.29Å; I312-F315 PolarHBondContact O-N 3.2Å; K313-F315 PolarHBondContact O-N 3.09Å; F315-F319 WeakPolarHBondContact O-CD2 3.29Å; F315-F319 PolarHBondContact O-N 2.93Å; F315-I542 HydrophobicContact CD1-CD1 4.26Å; F315-I542 HydrophobicContact CE1-CD1 3.97Å
316	S	92.8	Very high	87.9	Confident	17 Å²	17	54.9 Å²	54.9	12%	0.119	27%	0.274	C	S	.	.	H	α-helix	trans	-61.7	-51.9	176.7	-179.6	0	0	0	0	111.1	I312 K313 Y318 F319 R320 S321 A322	I312-S316 WeakPolarHBondContact O-CB 3.4Å; I312-S316 PolarHBondContact O-N 3.09Å; K313-S316 PolarHBondContact O-N 3.18Å; S316-Y318 PolarHBondContact O-N 2.79Å; S316-F319 CarbonylContact O-C 3.57Å; S316-F319 PolarHBondContact O-N 3.11Å; S316-R320 PolarHBondContact O-N 3.39Å; S316-S321 WeakPolarHBondContact O-CA 3.35Å; S316-S321 PolarHBondContact O-N 3.14Å; S316-A322 PolarHBondContact O-N 3.09Å; S316-A322 VanDerWaalsContact O-N 3.09Å; S316-A322 PolarHBondContact OG-N 3.23Å; S316-A322 PolarHBondContact OG-O 2.92Å
317	E	93.4	Very high	87.5	Confident	130 Å²	130	55 Å²	55	61%	0.607	27%	0.274	S	S	*	.	H	α-helix	trans	-61.7	-44.4	179.1	-71.6	168.3	-164.4	0	0	111.7	K313 F319 R320	K313-E317 WeakPolarHBondContact O-CB 3.35Å; K313-E317 WeakPolarHBondContact O-CG 3.44Å; K313-E317 PolarHBondContact O-N 3.26Å; E317-F319 PolarHBondContact O-N 3.3Å; E317-R320 PolarHBondContact O-N 3.43Å
318	Y	94.3	Very high	87	Confident	21 Å²	21	58.5 Å²	58.5	8%	0.082	30%	0.297	C	S	.	.	H	α-helix	trans	-58.7	-34.2	178.1	179.7	-96.9	0	0	0	112.9	G289 R292 L314 S316 V540 I542	G289-Y318 VanDerWaalsContact CA-OH 3.23Å; G289-Y318 WeakPolarHBondContact CA-OH 3.46Å; R292-Y318 HydrophobicContact CB-CE1 4.29Å; R292-Y318 PolarHBondContact NH1-O 3.17Å; L314-Y318 WeakPolarHBondContact O-CB 3.46Å; L314-Y318 PolarHBondContact O-N 2.89Å; S316-Y318 PolarHBondContact O-N 2.79Å; Y318-V540 WeakPolarHBondContact CE2-O 3.35Å; Y318-V540 PolarHBondContact OH-O 3.29Å; Y318-I542 HydrophobicContact CD1-CG1 4.01Å; Y318-I542 HydrophobicContact CD2-CB 4.36Å; Y318-I542 HydrophobicContact CD2-CG1 3.92Å; Y318-I542 HydrophobicContact CE1-CD1 4.48Å; Y318-I542 HydrophobicContact CE1-CG1 3.85Å; Y318-I542 HydrophobicContact CE2-CB 4.32Å; Y318-I542 HydrophobicContact CE2-CG1 3.74Å; Y318-I542 HydrophobicContact CG-CG1 4.05Å
319	F	94.3	Very high	86.5	Confident	16 Å²	16	59.6 Å²	59.6	7%	0.07	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	39.8	174	-73.4	-80.6	0	0	0	113.4	V176 L288 R292 L295 L303 L305 F315 S316 E317 A322	V176-F319 HydrophobicContact CB-CB 4.39Å; V176-F319 HydrophobicContact CG1-CB 3.94Å; V176-F319 HydrophobicContact CG1-CD1 4.18Å; V176-F319 HydrophobicContact CG1-CD2 4.42Å; V176-F319 HydrophobicContact CG1-CG 3.94Å; V176-F319 HydrophobicContact CG2-CB 4.47Å; V176-F319 HydrophobicContact CG2-CD1 4.02Å; V176-F319 HydrophobicContact CG2-CG 4.49Å; L288-F319 HydrophobicContact CB-CE2 4.45Å; L288-F319 HydrophobicContact CB-CZ 4.22Å; L288-F319 HydrophobicContact CD2-CE2 4.14Å; L288-F319 HydrophobicContact CD2-CZ 4.08Å; R292-F319 HydrophobicContact CB-CD1 4.43Å; R292-F319 HydrophobicContact CB-CE1 3.72Å; R292-F319 HydrophobicContact CB-CZ 4.29Å; R292-F319 HydrophobicContact CG-CD1 4.5Å; R292-F319 HydrophobicContact CG-CE1 4.26Å; L295-F319 HydrophobicContact CD1-CD1 4.25Å; L295-F319 HydrophobicContact CD1-CE1 4.06Å; L303-F319 HydrophobicContact CD2-CD1 4.35Å; L303-F319 HydrophobicContact CD2-CE1 3.66Å; L303-F319 HydrophobicContact CD2-CZ 3.76Å; L305-F319 HydrophobicContact CD1-CD2 3.56Å; L305-F319 HydrophobicContact CD1-CE2 3.52Å; F315-F319 WeakPolarHBondContact O-CD2 3.29Å; F315-F319 PolarHBondContact O-N 2.93Å; S316-F319 CarbonylContact O-C 3.57Å; S316-F319 PolarHBondContact O-N 3.11Å; E317-F319 PolarHBondContact O-N 3.3Å; F319-A322 HydrophobicContact CB-CB 4.03Å; F319-A322 PolarHBondContact O-N 3.38Å
320	R	89.9	Confident	86.3	Confident	214 Å²	214	65.6 Å²	65.6	81%	0.808	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	49	173.9	-54.7	179.3	-177.1	159.6	1.8	113.3	S316 E317	S316-R320 PolarHBondContact O-N 3.39Å; E317-R320 PolarHBondContact O-N 3.43Å
321	S	91.1	Very high	86.9	Confident	92 Å²	92	62.5 Å²	62.5	64%	0.643	31%	0.314	S	S	*	.	S	Bend	trans	59.7	44.9	-179.1	-56.2	0	0	0	0	113.3	S316	S316-S321 WeakPolarHBondContact O-CA 3.35Å; S316-S321 PolarHBondContact O-N 3.14Å
322	A	93.6	Very high	87.4	Confident	7 Å²	7	64.4 Å²	64.4	6%	0.058	32%	0.32	C	S	.	.			trans	-54.7	139.2	177.1	0	0	0	0	0	111.4	V176 V178 S316 F319 V324	V176-A322 HydrophobicContact CB-CB 4.03Å; V176-A322 HydrophobicContact CG1-CB 3.96Å; V178-A322 HydrophobicContact CG2-CB 4.37Å; S316-A322 PolarHBondContact O-N 3.09Å; S316-A322 VanDerWaalsContact O-N 3.09Å; S316-A322 PolarHBondContact OG-N 3.23Å; S316-A322 PolarHBondContact OG-O 2.92Å; F319-A322 HydrophobicContact CB-CB 4.03Å; F319-A322 PolarHBondContact O-N 3.38Å; A322-V324 PolarHBondContact O-N 3.05Å
323	P	95.6	Very high	87.6	Confident	36 Å²	36	68.6 Å²	68.6	23%	0.234	35%	0.348	C	S	.	.			trans	-61.1	135.6	-177.2	26.5	-37.7	0	0	0	111.7	H174 V176 I177 V178	H174-P323 HydrophobicContact CB-CG 4.03Å; V176-P323 WeakPolarHBondContact O-CD 3.21Å; I177-P323 HydrophobicContact CB-CG 4.42Å; I177-P323 HydrophobicContact CG2-CG 3.94Å; V178-P323 PolarHBondContact N-O 3.18Å
324	V	93.8	Very high	87.8	Confident	65 Å²	65	62.7 Å²	62.7	39%	0.394	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	124.4	-178.9	177.1	0	0	0	0	109.9	V178 I312 A322	V178-V324 HydrophobicContact CB-CG2 4.26Å; V178-V324 CarbonylContact O-C 3.52Å; V178-V324 WeakPolarHBondContact O-CA 3.33Å; I312-V324 HydrophobicContact CB-CG1 4.31Å; I312-V324 HydrophobicContact CD1-CG1 4.32Å; I312-V324 HydrophobicContact CG2-CB 4.18Å; I312-V324 HydrophobicContact CG2-CG1 3.4Å; I312-V324 VanDerWaalsContact CG2-CG1 3.4Å; I312-V324 HydrophobicContact CG2-CG2 3.68Å; A322-V324 PolarHBondContact O-N 3.05Å
325	L	93	Very high	88.1	Confident	12 Å²	12	66.4 Å²	66.4	6%	0.063	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	112.6	169.5	-173.2	145.9	0	0	0	109	Y163 R166 I167 L170 V178 V179 A180 V327	Y163-L325 HydrophobicContact CD1-CD1 4.39Å; Y163-L325 HydrophobicContact CD1-CD2 4.14Å; Y163-L325 HydrophobicContact CD1-CG 4.39Å; Y163-L325 HydrophobicContact CG-CD2 4.19Å; R166-L325 HydrophobicContact CB-CD1 4.21Å; R166-L325 HydrophobicContact CG-CD1 3.75Å; I167-L325 HydrophobicContact CD1-CD2 4.37Å; I167-L325 HydrophobicContact CG1-CD1 3.82Å; I167-L325 HydrophobicContact CG1-CD2 4.1Å; L170-L325 HydrophobicContact CD1-CB 4.26Å; L170-L325 HydrophobicContact CD1-CD1 3.81Å; V178-L325 PolarHBondContact O-N 3.35Å; V179-L325 HydrophobicContact CG1-CD2 4.34Å; A180-L325 PolarHBondContact N-O 3.06Å; L325-V327 HydrophobicContact CD2-CG2 3.52Å
326	Q	90.9	Very high	88.3	Confident	125 Å²	125	68.6 Å²	68.6	58%	0.584	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.1	122.7	178.4	-167.1	171.9	10.5	0	0	110.6	A180	A180-Q326 CarbonylContact O-C 3.56Å; A180-Q326 WeakPolarHBondContact O-CA 3.34Å
327	V	87.3	Confident	88.5	Confident	2 Å²	2	69.7 Å²	69.7	1%	0.012	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	122.7	176.5	-175.5	0	0	0	0	108.3	P159 I160 Y163 A180 G181 C185 L325	P159-V327 HydrophobicContact CB-CG1 3.8Å; I160-V327 HydrophobicContact CB-CG1 4.27Å; I160-V327 HydrophobicContact CG1-CG2 4.16Å; Y163-V327 HydrophobicContact CD2-CG1 4.06Å; Y163-V327 HydrophobicContact CD2-CG2 4.11Å; Y163-V327 HydrophobicContact CE2-CG1 4.08Å; Y163-V327 HydrophobicContact CG-CG2 4.34Å; A180-V327 PolarHBondContact O-N 2.82Å; G181-V327 VanDerWaalsContact CA-O 3.27Å; G181-V327 WeakPolarHBondContact CA-O 3.49Å; C185-V327 HydrophobicContact CB-CG1 4.18Å; L325-V327 HydrophobicContact CD2-CG2 3.52Å
328	P	79.2	Confident	88.6	Confident	73 Å²	73	66.5 Å²	66.5	47%	0.474	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-63.6	139.1	176.7	25.7	-32.3	0	0	0	111	P159 Y163	P159-P328 WeakPolarHBondContact CB-O 3.35Å; Y163-P328 VanDerWaalsContact OH-CD 3.3Å; Y163-P328 WeakPolarHBondContact OH-CD 3.47Å
329	G	68.4	Low	88.5	Confident	33 Å²	33	68.4 Å²	68.4	34%	0.34	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-68.4	164.3	174.8	0	0	0	0	0	113.3	D182	D182-G329 WeakPolarHBondContact OD2-CA 3.25Å
330	R	65.8	Low	88.3	Confident	149 Å²	149	70.9 Å²	70.9	56%	0.562	37%	0.368	S	S	*	.			trans	-124.2	46	176	-164.7	-174.1	175.5	-179.6	-3.1	110.9	N157 P159	N157-R330 PolarHBondContact O-NH1 3.17Å; P159-R330 HydrophobicContact CG-CB 3.7Å
331	L	72.9	Confident	88.1	Confident	65 Å²	65	62 Å²	62	34%	0.34	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-77.8	135.5	173.8	-66.3	174.7	0	0	0	109.2	R490	L331-R490 HydrophobicContact CD2-CG 4.34Å
332	F	84.4	Confident	87.7	Confident	85 Å²	85	59.7 Å²	59.7	37%	0.373	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-65.7	156.7	165.4	-71.2	-90.8	0	0	0	109.7	I334 G489 G492 P493	F332-I334 VanDerWaalsContact O-CG1 3.23Å; F332-I334 WeakPolarHBondContact O-CG1 3.46Å; F332-I334 PolarHBondContact O-N 3.46Å; F332-G489 WeakPolarHBondContact CD2-O 3.5Å; F332-G489 PolarHBondContact N-O 3.07Å; F332-G492 WeakPolarHBondContact CB-O 3.45Å; F332-P493 HydrophobicContact CD1-CG 4.44Å
333	P	88.8	Confident	86.8	Confident	101 Å²	101	64.7 Å²	64.7	66%	0.656	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-53.2	133.4	176.5	-26.3	34.8	0	0	0	112	P493 G494	P333-P493 WeakPolarHBondContact O-CA 3.41Å; P333-G494 PolarHBondContact O-N 3.46Å; P333-G494 VanDerWaalsContact O-N 3.15Å
334	I	92.3	Very high	85.8	Confident	33 Å²	33	71.9 Å²	71.9	17%	0.169	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	117.9	-179.8	-45.5	-178.8	0	0	0	108.2	F332 K485 A488 G494 C496	F332-I334 VanDerWaalsContact O-CG1 3.23Å; F332-I334 WeakPolarHBondContact O-CG1 3.46Å; F332-I334 PolarHBondContact O-N 3.46Å; I334-K485 HydrophobicContact CB-CG 4.35Å; I334-K485 HydrophobicContact CD1-CG 4.22Å; I334-K485 VanDerWaalsContact CD1-O 3.22Å; I334-K485 WeakPolarHBondContact CD1-O 3.21Å; I334-K485 HydrophobicContact CG2-CG 3.88Å; I334-A488 HydrophobicContact CG2-CB 4.06Å; I334-G494 WeakPolarHBondContact CA-O 3.42Å; I334-C496 HydrophobicContact CG2-CB 4.09Å
335	Q	95.8	Very high	84.7	Confident	117 Å²	117	70.5 Å²	70.5	55%	0.547	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	126.1	173.2	-173.3	179.3	12.3	0	0	109.4	I337 G494 V495 C496	Q335-I337 HydrophobicContact CG-CG1 4.2Å; Q335-G494 PolarHBondContact N-O 2.92Å; Q335-V495 HydrophobicContact CB-CG1 4.46Å; Q335-V495 HydrophobicContact CB-CG2 4.43Å; Q335-V495 CarbonylContact O-C 3.58Å; Q335-V495 WeakPolarHBondContact O-CA 3.44Å; Q335-C496 PolarHBondContact O-N 3.37Å
336	V	96.6	Very high	83.4	Confident	47 Å²	47	75.2 Å²	75.2	29%	0.285	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	129.4	173.5	-177.9	0	0	0	0	108.7	Y338 K485 C496 R498	V336-Y338 HydrophobicContact CG1-CD2 4.32Å; V336-Y338 HydrophobicContact CG1-CE2 3.93Å; V336-K485 HydrophobicContact CG2-CD 3.55Å; V336-K485 HydrophobicContact CG2-CG 4.2Å; V336-C496 WeakPolarHBondContact CA-O 3.48Å; V336-R498 HydrophobicContact CG1-CG 4.3Å
337	I	96.4	Very high	82	Confident	40 Å²	40	71.7 Å²	71.7	21%	0.205	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	116	176.3	-59.5	177	0	0	0	107.5	Q335 V495 C496 Y497 R498	Q335-I337 HydrophobicContact CG-CG1 4.2Å; I337-V495 HydrophobicContact CD1-CG1 3.7Å; I337-V495 HydrophobicContact CG1-CG1 4.17Å; I337-C496 PolarHBondContact N-O 3.27Å; I337-Y497 HydrophobicContact CB-CD1 4.04Å; I337-Y497 HydrophobicContact CB-CE1 4.4Å; I337-Y497 HydrophobicContact CD1-CD1 4.2Å; I337-Y497 HydrophobicContact CD1-CE1 3.68Å; I337-Y497 HydrophobicContact CG2-CD1 4.24Å; I337-Y497 CarbonylContact O-C 3.51Å; I337-Y497 WeakPolarHBondContact O-CA 3.43Å; I337-R498 PolarHBondContact O-N 3.13Å
338	Y	95.6	Very high	80.6	Confident	63 Å²	63	74 Å²	74	25%	0.247	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	122.2	171.3	-64.2	-83.3	0	0	0	109.3	V336 R498 Y500 E502	V336-Y338 HydrophobicContact CG1-CD2 4.32Å; V336-Y338 HydrophobicContact CG1-CE2 3.93Å; Y338-R498 HydrophobicContact CD1-CB 3.78Å; Y338-R498 HydrophobicContact CD1-CG 4.43Å; Y338-R498 HydrophobicContact CE1-CB 4.15Å; Y338-R498 HydrophobicContact CE1-CG 4.35Å; Y338-R498 PolarHBondContact OH-NH1 3.5Å; Y338-Y500 WeakPolarHBondContact CD1-O 3.21Å; Y338-Y500 HydrophobicContact CE1-CE2 4.32Å; Y338-E502 HydrophobicContact CD1-CB 4.26Å; Y338-E502 HydrophobicContact CD2-CB 4.01Å; Y338-E502 HydrophobicContact CD2-CG 4.47Å; Y338-E502 HydrophobicContact CE1-CB 4.16Å; Y338-E502 HydrophobicContact CE2-CB 3.9Å; Y338-E502 HydrophobicContact CE2-CG 3.9Å; Y338-E502 HydrophobicContact CG-CB 4.18Å
339	Q	93.2	Very high	79.4	Confident	61 Å²	61	83.5 Å²	83.5	29%	0.285	42%	0.423	S	S	.	.			trans	-136.5	72.9	-179.9	-170.6	173.9	-16.1	0	0	108.7	R498 L499	Q339-R498 PolarHBondContact N-O 2.8Å; Q339-L499 WeakPolarHBondContact O-CA 3.43Å
340	P	90.5	Very high	78.5	Confident	68 Å²	68	87.3 Å²	87.3	44%	0.442	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-58.9	142.4	-179.4	25.3	-33.8	0	0	0	111
341	I	85.8	Confident	78.3	Confident	27 Å²	27	86.3 Å²	86.3	14%	0.138	45%	0.446	C	S	.	.	P	Polyproline II helix	trans	-71.3	125.3	177.3	-59	173.7	0	0	0	108.7	E345 Q346 P357 L499	I341-E345 HydrophobicContact CG2-CB 3.69Å; I341-Q346 HydrophobicContact CB-CG 4.39Å; I341-Q346 HydrophobicContact CG2-CG 4.14Å; I341-Q346 PolarHBondContact O-NE2 2.96Å; I341-P357 HydrophobicContact CD1-CB 4.3Å; I341-P357 HydrophobicContact CD1-CG 4.17Å; I341-P357 HydrophobicContact CG1-CB 4.13Å; I341-P357 HydrophobicContact CG1-CG 4.09Å; I341-P357 HydrophobicContact CG2-CG 4Å; I341-L499 HydrophobicContact CD1-CB 4.33Å; I341-L499 HydrophobicContact CD1-CD1 4.41Å; I341-L499 HydrophobicContact CG1-CB 4.27Å
342	P	82.5	Confident	78.1	Confident	45 Å²	45	91.8 Å²	91.8	29%	0.292	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-54.7	145.4	177.7	-24.7	33.5	0	0	0	111.7	E344 E345 Q346	P342-E344 PolarHBondContact O-N 3.03Å; P342-E344 VanDerWaalsContact O-N 3.11Å; P342-E345 PolarHBondContact O-N 3.32Å; P342-Q346 PolarHBondContact O-N 2.84Å
343	P	74.9	Confident	78	Confident	111 Å²	111	89.2 Å²	89.2	72%	0.721	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-54.4	-33.8	-177.4	-26.1	34.1	0	0	0	114.2	E345 Q346	P343-E345 VanDerWaalsContact C-N 3.26Å; P343-E345 PolarHBondContact O-N 3.38Å; P343-Q346 PolarHBondContact O-N 3.49Å
344	E	73.1	Confident	77.8	Confident	187 Å²	187	85.6 Å²	85.6	87%	0.874	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-67.5	-22.8	177.7	-62.4	165	-167	0	0	113.6	P342	P342-E344 PolarHBondContact O-N 3.03Å; P342-E344 VanDerWaalsContact O-N 3.11Å
345	E	70.6	Confident	77.6	Confident	37 Å²	37	85.5 Å²	85.5	17%	0.173	43%	0.434	C	S	.	.	G	3₁₀ helix	trans	-103.3	0.5	178.2	-65.3	178.5	-158.4	0	0	111.9	I341 P342 P343 R360	I341-E345 HydrophobicContact CG2-CB 3.69Å; P342-E345 PolarHBondContact O-N 3.32Å; P343-E345 VanDerWaalsContact C-N 3.26Å; P343-E345 PolarHBondContact O-N 3.38Å; E345-R360 IonicContact OE1-CZ 3.95Å; E345-R360 IonicContact OE1-NH2 3.17Å; E345-R360 PolarHBondContact OE1-NH2 3.4Å; E345-R360 IonicContact OE2-CZ 3.68Å; E345-R360 IonicContact OE2-NH2 3.3Å; E345-R360 PolarHBondContact OE2-NH2 2.81Å
346	Q	66.7	Low	77.4	Confident	111 Å²	111	86.8 Å²	86.8	52%	0.519	43%	0.434	S	S	.	.	S	Bend	trans	-76.8	131.7	175.5	-70.2	-174.8	19.7	0	0	109.8	I341 P342 P343 S348	I341-Q346 HydrophobicContact CB-CG 4.39Å; I341-Q346 HydrophobicContact CG2-CG 4.14Å; I341-Q346 PolarHBondContact O-NE2 2.96Å; P342-Q346 PolarHBondContact O-N 2.84Å; P343-Q346 PolarHBondContact O-N 3.49Å; Q346-S348 PolarHBondContact O-N 3.14Å
347	P	62.2	Low	77.1	Confident	50 Å²	50	84.7 Å²	84.7	33%	0.325	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-64.3	130.5	178.8	26.2	-32.8	0	0	0	109.8	L353	P347-L353 HydrophobicContact CG-CD1 4.18Å
348	S	58	Low	77	Confident	52 Å²	52	83.2 Å²	83.2	36%	0.364	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-61.6	159.4	161.3	65.2	0	0	0	0	109.6	Q346 S350 E351	Q346-S348 PolarHBondContact O-N 3.14Å; S348-S350 PolarHBondContact O-N 3.41Å; S348-E351 WeakPolarHBondContact CB-OE2 3.24Å; S348-E351 PolarHBondContact O-N 3.11Å; S348-E351 WeakPolarHBondContact OG-CB 3.5Å; S348-E351 WeakPolarHBondContact OG-CG 3.49Å; S348-E351 PolarHBondContact OG-OE2 3.01Å
349	R	53.3	Low	76.8	Confident	272 Å²	272	81.8 Å²	81.8	100%	1.026	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-15	-176.3	-81.4	-175.3	175	175.8	-0.5	114.6
350	S	50.1	Low	76.8	Confident	113 Å²	113	83.4 Å²	83.4	79%	0.79	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113	-3.8	-179.2	56	0	0	0	0	115.1	S348	S348-S350 PolarHBondContact O-N 3.41Å
351	E	59.8	Low	77	Confident	128 Å²	128	80.3 Å²	80.3	60%	0.598	39%	0.393	S	S	*	.	S	Bend	trans	-99.7	149.1	-174.2	-79.5	170.7	157.7	0	0	113.4	S348	S348-E351 WeakPolarHBondContact CB-OE2 3.24Å; S348-E351 PolarHBondContact O-N 3.11Å; S348-E351 WeakPolarHBondContact OG-CB 3.5Å; S348-E351 WeakPolarHBondContact OG-CG 3.49Å; S348-E351 PolarHBondContact OG-OE2 3.01Å
352	K	69.4	Low	77.4	Confident	179 Å²	179	79 Å²	79	78%	0.778	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-61.4	142.5	174.5	-68.2	-176.8	179.7	-178.6	0	109.7	D354	K352-D354 PolarHBondContact O-N 3.49Å
353	L	81.6	Confident	77.9	Confident	31 Å²	31	80.5 Å²	80.5	16%	0.162	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-55.4	127.2	176.5	-176.7	66.7	0	0	0	111.1	P347 P355 Y358 L381 E386 N389 I390	P347-L353 HydrophobicContact CG-CD1 4.18Å; L353-P355 WeakPolarHBondContact O-CD 3.25Å; L353-Y358 HydrophobicContact CD1-CE2 4.47Å; L353-Y358 HydrophobicContact CD2-CE2 3.95Å; L353-Y358 HydrophobicContact CG-CE2 4.16Å; L353-L381 HydrophobicContact CD2-CD2 4.06Å; L353-E386 HydrophobicContact CD2-CB 3.95Å; L353-E386 HydrophobicContact CD2-CG 4.1Å; L353-N389 PolarHBondContact N-ND2 3.09Å; L353-N389 PolarHBondContact O-ND2 2.83Å; L353-I390 HydrophobicContact CD2-CD1 3.94Å; L353-I390 HydrophobicContact CD2-CG1 3.9Å; L353-I390 HydrophobicContact CG-CD1 4.21Å
354	D	84.9	Confident	78.8	Confident	25 Å²	25	75.6 Å²	75.6	13%	0.134	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-68.4	124.5	178.6	-171.8	-12.3	0	0	0	111.1	K352 R356 P357	K352-D354 PolarHBondContact O-N 3.49Å; D354-R356 VanDerWaalsContact C-N 3.35Å; D354-R356 VanDerWaalsContact OD1-CB 3.3Å; D354-R356 WeakPolarHBondContact OD1-CB 3.45Å; D354-R356 VanDerWaalsContact OD1-CG 3.27Å; D354-R356 WeakPolarHBondContact OD1-CG 3.26Å; D354-R356 PolarHBondContact OD1-N 2.98Å; D354-R356 IonicContact OD1-NE 3.42Å; D354-R356 PolarHBondContact OD1-NE 2.91Å; D354-R356 VanDerWaalsContact OD1-NE 3.16Å; D354-R356 IonicContact OD2-CZ 3.29Å; D354-R356 IonicContact OD2-NE 3.52Å; D354-R356 PolarHBondContact OD2-NE 3.38Å; D354-R356 IonicContact OD2-NH2 3.71Å; D354-R356 PolarHBondContact OD2-NH2 3.19Å; D354-P357 WeakPolarHBondContact O-CD 3.04Å
355	P	89.6	Confident	79.7	Confident	32 Å²	32	66.7 Å²	66.7	21%	0.208	32%	0.317	C	S	.	.	S	Bend	trans	-76.2	-16.3	177.4	30.2	-35.1	0	0	0	114.7	L353 Y358 L359 I390 A393	L353-P355 WeakPolarHBondContact O-CD 3.25Å; P355-Y358 PolarHBondContact O-N 3.41Å; P355-L359 PolarHBondContact O-N 2.88Å; P355-I390 HydrophobicContact CB-CD1 3.9Å; P355-A393 HydrophobicContact CB-CB 3.42Å; P355-A393 VanDerWaalsContact CB-CB 3.42Å; P355-A393 HydrophobicContact CG-CB 3.89Å
356	R	90.2	Very high	80.8	Confident	143 Å²	143	65.7 Å²	65.7	54%	0.54	31%	0.313	S	S	.	.	H	α-helix	trans	-56.5	-44.8	-173.8	-69.8	178.6	-72.1	-179.5	-0.3	114.1	D354 Y358 L359 R360	D354-R356 VanDerWaalsContact C-N 3.35Å; D354-R356 VanDerWaalsContact OD1-CB 3.3Å; D354-R356 WeakPolarHBondContact OD1-CB 3.45Å; D354-R356 VanDerWaalsContact OD1-CG 3.27Å; D354-R356 WeakPolarHBondContact OD1-CG 3.26Å; D354-R356 PolarHBondContact OD1-N 2.98Å; D354-R356 IonicContact OD1-NE 3.42Å; D354-R356 PolarHBondContact OD1-NE 2.91Å; D354-R356 VanDerWaalsContact OD1-NE 3.16Å; D354-R356 IonicContact OD2-CZ 3.29Å; D354-R356 IonicContact OD2-NE 3.52Å; D354-R356 PolarHBondContact OD2-NE 3.38Å; D354-R356 IonicContact OD2-NH2 3.71Å; D354-R356 PolarHBondContact OD2-NH2 3.19Å; R356-Y358 VanDerWaalsContact C-N 3.3Å; R356-Y358 PolarHBondContact O-N 3.43Å; R356-L359 PolarHBondContact O-N 2.92Å; R356-R360 WeakPolarHBondContact O-CG 3.15Å; R356-R360 PolarHBondContact O-N 3.4Å
357	P	91.3	Very high	81.9	Confident	4 Å²	4	68.1 Å²	68.1	3%	0.026	32%	0.324	C	S	.	.	H	α-helix	trans	-57.2	-40.3	177.2	-25.9	34.9	0	0	0	113.5	I341 D354	I341-P357 HydrophobicContact CD1-CB 4.3Å; I341-P357 HydrophobicContact CD1-CG 4.17Å; I341-P357 HydrophobicContact CG1-CB 4.13Å; I341-P357 HydrophobicContact CG1-CG 4.09Å; I341-P357 HydrophobicContact CG2-CG 4Å; D354-P357 WeakPolarHBondContact O-CD 3.04Å
358	Y	92.8	Very high	83.4	Confident	8 Å²	8	72.3 Å²	72.3	3%	0.031	33%	0.334	C	S	.	.	H	α-helix	trans	-73.9	-41.7	-178.4	-55.8	-85.3	0	0	0	111.5	L353 P355 R356 R360 I361 L362 L379 L381 I390 V452 L499	L353-Y358 HydrophobicContact CD1-CE2 4.47Å; L353-Y358 HydrophobicContact CD2-CE2 3.95Å; L353-Y358 HydrophobicContact CG-CE2 4.16Å; P355-Y358 PolarHBondContact O-N 3.41Å; R356-Y358 VanDerWaalsContact C-N 3.3Å; R356-Y358 PolarHBondContact O-N 3.43Å; Y358-R360 VanDerWaalsContact C-N 3.33Å; Y358-R360 PolarHBondContact O-N 3.25Å; Y358-I361 WeakPolarHBondContact O-CB 3.48Å; Y358-I361 PolarHBondContact O-N 2.77Å; Y358-I361 VanDerWaalsContact O-N 3.11Å; Y358-L362 VanDerWaalsContact O-CD1 3.28Å; Y358-L362 WeakPolarHBondContact O-CD1 3.33Å; Y358-L362 PolarHBondContact O-N 3.23Å; Y358-L379 HydrophobicContact CD1-CD1 3.59Å; Y358-L379 HydrophobicContact CD1-CD2 3.9Å; Y358-L379 HydrophobicContact CD1-CG 3.92Å; Y358-L379 HydrophobicContact CE1-CD1 4.37Å; Y358-L379 HydrophobicContact CE1-CD2 3.84Å; Y358-L379 HydrophobicContact CE1-CG 4.3Å; Y358-L379 HydrophobicContact CG-CD1 4.21Å; Y358-L381 HydrophobicContact CE1-CD2 3.7Å; Y358-L381 WeakPolarHBondContact OH-CD2 3.36Å; Y358-I390 HydrophobicContact CD2-CD1 3.44Å; Y358-I390 VanDerWaalsContact CD2-CD1 3.44Å; Y358-I390 HydrophobicContact CD2-CG1 4.15Å; Y358-I390 HydrophobicContact CD2-CG2 4.48Å; Y358-I390 HydrophobicContact CE2-CD1 3.71Å; Y358-I390 HydrophobicContact CE2-CG1 4.27Å; Y358-I390 HydrophobicContact CG-CD1 4.2Å; Y358-I390 HydrophobicContact CG-CG2 4.18Å; Y358-V452 HydrophobicContact CD1-CG1 4.1Å; Y358-V452 HydrophobicContact CE1-CG1 4.28Å; Y358-L499 HydrophobicContact CD1-CD1 3.83Å; Y358-L499 HydrophobicContact CE1-CD1 3.23Å; Y358-L499 HydrophobicContact CE2-CD1 4.46Å
359	L	92.4	Very high	84.9	Confident	33 Å²	33	71.7 Å²	71.7	17%	0.173	32%	0.324	C	S	.	.	H	α-helix	trans	-61.8	-38.7	174.9	-71.4	179.3	0	0	0	112.5	P355 R356 I361 L362 Q363 A393 Y397	P355-L359 PolarHBondContact O-N 2.88Å; R356-L359 PolarHBondContact O-N 2.92Å; L359-I361 PolarHBondContact O-N 2.98Å; L359-L362 PolarHBondContact O-N 2.92Å; L359-Q363 WeakPolarHBondContact O-CB 3.43Å; L359-Q363 WeakPolarHBondContact O-CG 3.26Å; L359-Q363 PolarHBondContact O-N 3.45Å; L359-A393 HydrophobicContact CD1-CB 4.21Å; L359-Y397 HydrophobicContact CD2-CG 4.42Å
360	R	93.4	Very high	86.5	Confident	96 Å²	96	61.8 Å²	61.8	36%	0.362	29%	0.294	S	S	.	.	H	α-helix	trans	-57.2	-34.5	174.2	-77.1	-170.6	-72.8	176	-6.9	112	E345 R356 Y358 G364	E345-R360 IonicContact OE1-CZ 3.95Å; E345-R360 IonicContact OE1-NH2 3.17Å; E345-R360 PolarHBondContact OE1-NH2 3.4Å; E345-R360 IonicContact OE2-CZ 3.68Å; E345-R360 IonicContact OE2-NH2 3.3Å; E345-R360 PolarHBondContact OE2-NH2 2.81Å; R356-R360 WeakPolarHBondContact O-CG 3.15Å; R356-R360 PolarHBondContact O-N 3.4Å; Y358-R360 VanDerWaalsContact C-N 3.33Å; Y358-R360 PolarHBondContact O-N 3.25Å; R360-G364 PolarHBondContact O-N 3.24Å
361	I	94.3	Very high	88	Confident	2 Å²	2	58.7 Å²	58.7	1%	0.01	27%	0.272	C	S	.	.	H	α-helix	trans	-72.2	-45.3	177.2	-63.2	173.7	0	0	0	111	Y358 L359 Q363 G364 I365 V452 Y497 L499	Y358-I361 WeakPolarHBondContact O-CB 3.48Å; Y358-I361 PolarHBondContact O-N 2.77Å; Y358-I361 VanDerWaalsContact O-N 3.11Å; L359-I361 PolarHBondContact O-N 2.98Å; I361-Q363 VanDerWaalsContact C-N 3.34Å; I361-Q363 PolarHBondContact O-N 3.31Å; I361-G364 CarbonylContact O-C 3.57Å; I361-G364 PolarHBondContact O-N 3.2Å; I361-I365 HydrophobicContact CG2-CD1 3.88Å; I361-I365 HydrophobicContact CG2-CG1 4.4Å; I361-I365 VanDerWaalsContact O-CG1 3.3Å; I361-I365 WeakPolarHBondContact O-CG1 3.47Å; I361-I365 PolarHBondContact O-N 2.87Å; I361-V452 HydrophobicContact CB-CG2 4.41Å; I361-V452 HydrophobicContact CD1-CG1 3.93Å; I361-V452 HydrophobicContact CD1-CG2 3.74Å; I361-V452 HydrophobicContact CG2-CG2 3.73Å; I361-Y497 HydrophobicContact CD1-CG 4.2Å; I361-Y497 HydrophobicContact CG2-CD2 3.82Å; I361-Y497 HydrophobicContact CG2-CE2 3.94Å; I361-Y497 HydrophobicContact CG2-CG 4.18Å; I361-L499 HydrophobicContact CD1-CD2 3.87Å
362	L	93.6	Very high	89.1	Confident	1 Å²	1	59.7 Å²	59.7	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-57.6	-48.2	174.8	-85.7	75.4	0	0	0	111.1	Y358 L359 G364 I365 D366 L377 C394 Y397 W404	Y358-L362 VanDerWaalsContact O-CD1 3.28Å; Y358-L362 WeakPolarHBondContact O-CD1 3.33Å; Y358-L362 PolarHBondContact O-N 3.23Å; L359-L362 PolarHBondContact O-N 2.92Å; L362-G364 VanDerWaalsContact C-N 3.34Å; L362-G364 PolarHBondContact O-N 2.99Å; L362-I365 PolarHBondContact O-N 3.42Å; L362-D366 PolarHBondContact O-N 3.31Å; L362-L377 HydrophobicContact CD1-CD2 3.41Å; L362-L377 VanDerWaalsContact CD1-CD2 3.41Å; L362-L377 HydrophobicContact CG-CD2 3.9Å; L362-C394 HydrophobicContact CD2-CB 4.4Å; L362-Y397 HydrophobicContact CB-CD1 4.31Å; L362-Y397 HydrophobicContact CB-CE1 4.08Å; L362-Y397 HydrophobicContact CD2-CD1 4.09Å; L362-W404 HydrophobicContact CD2-CD2 4.35Å; L362-W404 HydrophobicContact CD2-CG 4.47Å; L362-W404 HydrophobicContact CG-CZ2 4.41Å
363	Q	93.8	Very high	89.8	Confident	76 Å²	76	54.2 Å²	54.2	36%	0.355	25%	0.253	S	S	.	.	H	α-helix	trans	-59.1	-45.3	176.1	-70.6	171.9	0.3	0	0	111.7	L359 I361 I365 D366 Q367 Y397	L359-Q363 WeakPolarHBondContact O-CB 3.43Å; L359-Q363 WeakPolarHBondContact O-CG 3.26Å; L359-Q363 PolarHBondContact O-N 3.45Å; I361-Q363 VanDerWaalsContact C-N 3.34Å; I361-Q363 PolarHBondContact O-N 3.31Å; Q363-I365 VanDerWaalsContact C-N 3.3Å; Q363-I365 PolarHBondContact O-N 3.24Å; Q363-D366 PolarHBondContact O-N 2.92Å; Q363-Q367 WeakPolarHBondContact O-CB 3.37Å; Q363-Q367 VanDerWaalsContact O-CG 3.3Å; Q363-Q367 WeakPolarHBondContact O-CG 3.47Å; Q363-Q367 PolarHBondContact O-N 3.39Å; Q363-Y397 HydrophobicContact CG-CD2 4.44Å; Q363-Y397 HydrophobicContact CG-CE2 3.58Å
364	G	92.8	Very high	89.8	Confident	8 Å²	8	61.2 Å²	61.2	8%	0.082	28%	0.278	C	S	.	.	H	α-helix	trans	-66.4	-27.9	177.9	0	0	0	0	0	113.7	R360 I361 L362 R368	R360-G364 PolarHBondContact O-N 3.24Å; I361-G364 CarbonylContact O-C 3.57Å; I361-G364 PolarHBondContact O-N 3.2Å; L362-G364 VanDerWaalsContact C-N 3.34Å; L362-G364 PolarHBondContact O-N 2.99Å; G364-R368 VanDerWaalsContact O-CB 3.31Å; G364-R368 WeakPolarHBondContact O-CB 3.31Å; G364-R368 WeakPolarHBondContact O-CG 3.4Å; G364-R368 PolarHBondContact O-N 3.16Å; G364-R368 PolarHBondContact O-NE 2.91Å
365	I	93.6	Very high	90.1	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-72.8	-44.4	172.1	-70.3	164.1	0	0	0	109.8	I361 L362 Q363 Q367 R368 Y369 L377 W404 F450	I361-I365 HydrophobicContact CG2-CD1 3.88Å; I361-I365 HydrophobicContact CG2-CG1 4.4Å; I361-I365 VanDerWaalsContact O-CG1 3.3Å; I361-I365 WeakPolarHBondContact O-CG1 3.47Å; I361-I365 PolarHBondContact O-N 2.87Å; L362-I365 PolarHBondContact O-N 3.42Å; Q363-I365 VanDerWaalsContact C-N 3.3Å; Q363-I365 PolarHBondContact O-N 3.24Å; I365-Q367 VanDerWaalsContact C-N 3.32Å; I365-Q367 PolarHBondContact O-N 3.34Å; I365-R368 PolarHBondContact O-N 2.95Å; I365-Y369 HydrophobicContact CG2-CD2 4.1Å; I365-Y369 WeakPolarHBondContact O-CB 3.2Å; I365-Y369 WeakPolarHBondContact O-CD2 3.43Å; I365-Y369 PolarHBondContact O-N 2.98Å; I365-L377 HydrophobicContact CD1-CD1 4.22Å; I365-L377 HydrophobicContact CD1-CD2 4.29Å; I365-W404 HydrophobicContact CB-CH2 4.43Å; I365-W404 HydrophobicContact CB-CZ2 4.25Å; I365-W404 HydrophobicContact CD1-CH2 4.29Å; I365-W404 HydrophobicContact CG2-CH2 3.9Å; I365-W404 HydrophobicContact CG2-CZ2 3.9Å; I365-F450 HydrophobicContact CD1-CB 3.89Å; I365-F450 HydrophobicContact CD1-CD1 4.27Å; I365-F450 HydrophobicContact CD1-CD2 4.01Å; I365-F450 HydrophobicContact CD1-CG 3.78Å; I365-F450 HydrophobicContact CG1-CD1 4.3Å; I365-F450 HydrophobicContact CG1-CD2 4.45Å; I365-F450 HydrophobicContact CG1-CG 4.25Å; I365-F450 HydrophobicContact CG2-CD2 4.08Å; I365-F450 HydrophobicContact CG2-CE2 3.71Å; I365-F450 HydrophobicContact CG2-CZ 4Å
366	D	92	Very high	90.3	Very high	15 Å²	15	59.4 Å²	59.4	8%	0.08	27%	0.267	C	S	.	.	H	α-helix	trans	-67.6	-30.3	-179.1	-83	-9.8	0	0	0	113.9	L362 Q363 Y397 R403 W404 R430	L362-D366 PolarHBondContact O-N 3.31Å; Q363-D366 PolarHBondContact O-N 2.92Å; D366-Y397 PolarHBondContact OD2-OH 3.07Å; D366-R403 PolarHBondContact O-NH1 3.47Å; D366-R403 IonicContact OD1-CZ 3.71Å; D366-R403 VanDerWaalsContact OD1-CZ 3.29Å; D366-R403 IonicContact OD1-NE 3.44Å; D366-R403 PolarHBondContact OD1-NE 2.83Å; D366-R403 IonicContact OD1-NH1 2.69Å; D366-R403 IonicContact OD1-NH2 3.98Å; D366-W404 VanDerWaalsContact CG-NE1 3.31Å; D366-W404 WeakPolarHBondContact OD1-CZ2 3.47Å; D366-W404 PolarHBondContact OD1-NE1 3.07Å; D366-W404 PolarHBondContact OD2-NE1 2.82Å; D366-R430 IonicContact OD1-NH1 3.73Å; D366-R430 PolarHBondContact OD1-NH1 3.27Å
367	Q	91.8	Very high	90.5	Very high	163 Å²	163	52.6 Å²	52.6	76%	0.762	24%	0.241	S	C	*	.	H	α-helix	trans	-76.8	-38.7	174.5	-71.7	172.1	4.9	0	0	112.9	Q363 I365	Q363-Q367 WeakPolarHBondContact O-CB 3.37Å; Q363-Q367 VanDerWaalsContact O-CG 3.3Å; Q363-Q367 WeakPolarHBondContact O-CG 3.47Å; Q363-Q367 PolarHBondContact O-N 3.39Å; I365-Q367 VanDerWaalsContact C-N 3.32Å; I365-Q367 PolarHBondContact O-N 3.34Å
368	R	91.8	Very high	90.8	Very high	137 Å²	137	52.6 Å²	52.6	52%	0.517	24%	0.241	S	C	.	.	H	α-helix	trans	-84.7	-29.8	-176	-74.2	-177.4	-83.2	-159.5	-6.9	113.8	G364 I365 Y497	G364-R368 VanDerWaalsContact O-CB 3.31Å; G364-R368 WeakPolarHBondContact O-CB 3.31Å; G364-R368 WeakPolarHBondContact O-CG 3.4Å; G364-R368 PolarHBondContact O-N 3.16Å; G364-R368 PolarHBondContact O-NE 2.91Å; I365-R368 PolarHBondContact O-N 2.95Å; R368-Y497 PolarHBondContact NH2-OH 2.88Å
369	Y	90.3	Very high	90.9	Very high	39 Å²	39	52.2 Å²	52.2	15%	0.153	24%	0.239	C	C	.	.	S	Bend	trans	-121.6	126.5	-172.2	-58.4	-82.3	0	0	0	112	I365 E373 R403 R430 F450	I365-Y369 HydrophobicContact CG2-CD2 4.1Å; I365-Y369 WeakPolarHBondContact O-CB 3.2Å; I365-Y369 WeakPolarHBondContact O-CD2 3.43Å; I365-Y369 PolarHBondContact O-N 2.98Å; Y369-E373 WeakPolarHBondContact CD1-OE2 3.32Å; Y369-R403 PolarHBondContact O-NH2 3.15Å; Y369-R430 PolarHBondContact O-NH2 2.78Å; Y369-F450 HydrophobicContact CD1-CZ 4.32Å; Y369-F450 AromaticContact CD2-CE1 3.89Å; Y369-F450 HydrophobicContact CD2-CE1 3.89Å; Y369-F450 AromaticContact CD2-CZ 3.66Å; Y369-F450 HydrophobicContact CD2-CZ 3.66Å; Y369-F450 HydrophobicContact CE1-CE1 4.36Å; Y369-F450 HydrophobicContact CE1-CZ 4.38Å; Y369-F450 AromaticContact CE2-CE1 3.45Å; Y369-F450 HydrophobicContact CE2-CE1 3.45Å; Y369-F450 VanDerWaalsContact CE2-CE1 3.45Å; Y369-F450 AromaticContact CE2-CZ 3.73Å; Y369-F450 HydrophobicContact CE2-CZ 3.73Å; Y369-F450 HydrophobicContact CG-CE1 4.5Å; Y369-F450 AromaticContact CG-CZ 3.96Å; Y369-F450 HydrophobicContact CG-CZ 3.96Å; Y369-F450 AromaticContact CZ-CE1 3.71Å
370	P	87.8	Confident	91.1	Very high	64 Å²	64	50.6 Å²	50.6	42%	0.416	23%	0.231	S	C	.	.			trans	-65.9	152.5	-179.3	30.1	-36.3	0	0	0	111.6	E372 E373 R430	P370-E372 WeakPolarHBondContact CB-OE2 3.44Å; P370-E372 PolarHBondContact O-N 2.88Å; P370-E373 HydrophobicContact CG-CB 4.05Å; P370-E373 PolarHBondContact O-N 3.41Å; P370-E373 VanDerWaalsContact O-N 3.11Å; P370-R430 PolarHBondContact O-NH2 3.28Å
371	P	80.3	Confident	91.2	Very high	48 Å²	48	46.2 Å²	46.2	31%	0.312	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-28.6	-177.3	-21.6	30.3	0	0	0	114.8	E373 G428	P371-E373 VanDerWaalsContact C-N 3.25Å; P371-E373 PolarHBondContact O-N 2.73Å; P371-G428 WeakPolarHBondContact O-CA 3.23Å
372	E	82.9	Confident	91	Very high	150 Å²	150	46.6 Å²	46.6	70%	0.701	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-23.9	-179.2	-58.6	72.4	-156	0	0	111.9	P370 R374	P370-E372 WeakPolarHBondContact CB-OE2 3.44Å; P370-E372 PolarHBondContact O-N 2.88Å; E372-R374 PolarHBondContact O-N 2.51Å
373	E	84.9	Confident	90.8	Very high	63 Å²	63	47 Å²	47	29%	0.294	22%	0.221	S	C	.	.	S	Bend	trans	-79.4	111.5	178	-170.6	171.2	-172.9	0	0	110.6	Y369 P370 P371 R430 R449	Y369-E373 WeakPolarHBondContact CD1-OE2 3.32Å; P370-E373 HydrophobicContact CG-CB 4.05Å; P370-E373 PolarHBondContact O-N 3.41Å; P370-E373 VanDerWaalsContact O-N 3.11Å; P371-E373 VanDerWaalsContact C-N 3.25Å; P371-E373 PolarHBondContact O-N 2.73Å; E373-R430 PolarHBondContact O-NE 3.19Å; E373-R430 PolarHBondContact O-NH2 3.39Å; E373-R449 IonicContact OE1-CZ 3.97Å; E373-R449 IonicContact OE1-NH1 2.94Å; E373-R449 PolarHBondContact OE1-NH1 3.34Å; E373-R449 IonicContact OE1-NH2 3.92Å; E373-R449 PolarHBondContact OE1-NH2 3.1Å
374	R	82.1	Confident	90.4	Very high	178 Å²	178	45 Å²	45	67%	0.672	22%	0.215	S	C	*	.			trans	-68.7	140.1	178.5	-66.6	-171.4	176	-147.5	-3.8	111.4	E372	E372-R374 PolarHBondContact O-N 2.51Å
375	G	90.1	Very high	89.9	Confident	2 Å²	2	47.8 Å²	47.8	2%	0.021	24%	0.237	C	C	.	.			trans	171.7	106.7	174.5	0	0	0	0	0	110.4	R430 F450	G375-R430 VanDerWaalsContact O-CD 3.3Å; G375-R430 WeakPolarHBondContact O-CD 3.46Å; G375-R430 WeakPolarHBondContact O-CG 3.25Å; G375-F450 WeakPolarHBondContact O-CE2 3.44Å
376	D	94.2	Very high	89.7	Confident	18 Å²	18	49.4 Å²	49.4	10%	0.096	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	152.4	176.5	-62	-38.1	0	0	0	110.4	K431 G447 R449 F450	D376-K431 HydrophobicContact CB-CB 4.14Å; D376-K431 VanDerWaalsContact CG-CE 3.46Å; D376-K431 PolarHBondContact OD1-N 3.04Å; D376-K431 WeakPolarHBondContact OD2-CE 3.45Å; D376-K431 IonicContact OD2-NZ 3.16Å; D376-G447 PolarHBondContact N-O 3.11Å; D376-R449 PolarHBondContact O-N 3.46Å; D376-F450 PolarHBondContact O-N 3.35Å
377	L	95.4	Very high	89.7	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	129	176.6	172.6	62.1	0	0	0	109.9	L362 I365 W404 K431 I433 F450 V452	L362-L377 HydrophobicContact CD1-CD2 3.41Å; L362-L377 VanDerWaalsContact CD1-CD2 3.41Å; L362-L377 HydrophobicContact CG-CD2 3.9Å; I365-L377 HydrophobicContact CD1-CD1 4.22Å; I365-L377 HydrophobicContact CD1-CD2 4.29Å; L377-W404 HydrophobicContact CB-CH2 4.11Å; L377-W404 HydrophobicContact CB-CZ3 3.71Å; L377-W404 HydrophobicContact CD2-CH2 4.44Å; L377-W404 HydrophobicContact CD2-CZ3 4.38Å; L377-K431 PolarHBondContact N-O 3.32Å; L377-I433 PolarHBondContact O-N 3.2Å; L377-F450 CarbonylContact C-O 3.56Å; L377-F450 WeakPolarHBondContact CA-O 3.47Å; L377-F450 HydrophobicContact CB-CB 4.36Å; L377-F450 HydrophobicContact CD1-CB 3.73Å; L377-V452 HydrophobicContact CD1-CB 4.47Å; L377-V452 HydrophobicContact CD1-CG2 3.65Å
378	L	96.2	Very high	89.5	Confident	3 Å²	3	42.6 Å²	42.6	2%	0.016	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	121	171.2	178	62.3	0	0	0	109.9	F380 I433 A439 V448 F450 V451 V452 R487	L378-F380 HydrophobicContact CD2-CE2 3.77Å; L378-F380 HydrophobicContact CD2-CZ 3.7Å; L378-F380 HydrophobicContact CG-CE2 3.97Å; L378-F380 HydrophobicContact CG-CZ 4.17Å; L378-I433 CarbonylContact C-O 3.57Å; L378-I433 WeakPolarHBondContact CA-O 3.43Å; L378-I433 HydrophobicContact CD1-CB 4Å; L378-I433 HydrophobicContact CD1-CG2 3.8Å; L378-A439 HydrophobicContact CD1-CB 4Å; L378-A439 HydrophobicContact CD2-CB 4.06Å; L378-V448 HydrophobicContact CB-CG1 3.69Å; L378-V448 HydrophobicContact CB-CG2 4.23Å; L378-V448 HydrophobicContact CD2-CG1 4.47Å; L378-F450 PolarHBondContact N-O 3.47Å; L378-V451 HydrophobicContact CB-CG2 4.45Å; L378-V451 CarbonylContact O-C 3.51Å; L378-V451 VanDerWaalsContact O-CA 3.27Å; L378-V451 WeakPolarHBondContact O-CA 3.47Å; L378-V452 PolarHBondContact O-N 3.14Å; L378-R487 HydrophobicContact CD2-CB 4.12Å; L378-R487 HydrophobicContact CD2-CG 4.29Å
379	L	96.3	Very high	89.3	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	120.6	-174.1	-168.9	172.6	0	0	0	109.2	Y358 L381 I390 I433 I434 S435 V452	Y358-L379 HydrophobicContact CD1-CD1 3.59Å; Y358-L379 HydrophobicContact CD1-CD2 3.9Å; Y358-L379 HydrophobicContact CD1-CG 3.92Å; Y358-L379 HydrophobicContact CE1-CD1 4.37Å; Y358-L379 HydrophobicContact CE1-CD2 3.84Å; Y358-L379 HydrophobicContact CE1-CG 4.3Å; Y358-L379 HydrophobicContact CG-CD1 4.21Å; L379-L381 HydrophobicContact CD2-CD1 3.82Å; L379-L381 HydrophobicContact CD2-CD2 3.54Å; L379-L381 HydrophobicContact CD2-CG 3.33Å; L379-I390 HydrophobicContact CD1-CG2 4.08Å; L379-I433 PolarHBondContact N-O 2.8Å; L379-I434 HydrophobicContact CD2-CG2 4.16Å; L379-S435 PolarHBondContact O-N 3.1Å; L379-V452 WeakPolarHBondContact CA-O 3.47Å; L379-V452 HydrophobicContact CB-CB 4.3Å; L379-V452 HydrophobicContact CG-CB 3.97Å; L379-V452 HydrophobicContact CG-CG1 4.02Å
380	F	96.3	Very high	89.4	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	118.9	178.8	-72.3	-81	0	0	0	111.8	L378 S435 T436 A439 E440 V451 V452 S454 R484 R487	L378-F380 HydrophobicContact CD2-CE2 3.77Å; L378-F380 HydrophobicContact CD2-CZ 3.7Å; L378-F380 HydrophobicContact CG-CE2 3.97Å; L378-F380 HydrophobicContact CG-CZ 4.17Å; F380-S435 CarbonylContact C-O 3.57Å; F380-S435 WeakPolarHBondContact CA-O 3.32Å; F380-T436 WeakPolarHBondContact CD1-O 3.45Å; F380-A439 HydrophobicContact CE1-CB 3.91Å; F380-A439 HydrophobicContact CZ-CB 4.13Å; F380-E440 HydrophobicContact CE1-CB 4.2Å; F380-V451 HydrophobicContact CD2-CG1 4.04Å; F380-V451 HydrophobicContact CE2-CG1 4Å; F380-V452 PolarHBondContact N-O 3.1Å; F380-S454 WeakPolarHBondContact O-CB 3.1Å; F380-S454 PolarHBondContact O-N 3.27Å; F380-S454 PolarHBondContact O-OG 2.98Å; F380-R484 HydrophobicContact CD1-CG 4.24Å; F380-R484 HydrophobicContact CD2-CB 3.99Å; F380-R484 HydrophobicContact CD2-CG 3.78Å; F380-R484 HydrophobicContact CE1-CG 4.13Å; F380-R484 HydrophobicContact CE2-CB 3.75Å; F380-R484 HydrophobicContact CE2-CG 3.66Å; F380-R484 HydrophobicContact CG-CG 4.08Å; F380-R484 HydrophobicContact CZ-CB 4.31Å; F380-R484 HydrophobicContact CZ-CG 3.84Å; F380-R487 HydrophobicContact CZ-CG 4.38Å
381	L	94.7	Very high	89.5	Confident	3 Å²	3	33.3 Å²	33.3	2%	0.016	18%	0.175	C	C	.	.			trans	-120.3	165.1	173.4	-64.2	175.8	0	0	0	111.7	L353 Y358 L379 E386 I387 I390 I434 S435 T436	L353-L381 HydrophobicContact CD2-CD2 4.06Å; Y358-L381 HydrophobicContact CE1-CD2 3.7Å; Y358-L381 WeakPolarHBondContact OH-CD2 3.36Å; L379-L381 HydrophobicContact CD2-CD1 3.82Å; L379-L381 HydrophobicContact CD2-CD2 3.54Å; L379-L381 HydrophobicContact CD2-CG 3.33Å; L381-E386 HydrophobicContact CB-CB 4.19Å; L381-E386 HydrophobicContact CD1-CB 4.18Å; L381-I387 HydrophobicContact CB-CG1 4.19Å; L381-I387 HydrophobicContact CD1-CG1 4.13Å; L381-I390 HydrophobicContact CD1-CB 4Å; L381-I390 HydrophobicContact CD1-CG1 3.71Å; L381-I434 HydrophobicContact CD1-CG2 3.51Å; L381-I434 HydrophobicContact CG-CG2 4.26Å; L381-S435 PolarHBondContact N-O 3.3Å; L381-T436 WeakPolarHBondContact O-CA 3.2Å
382	S	90.8	Very high	89.9	Confident	11 Å²	11	37.6 Å²	37.6	8%	0.077	19%	0.191	C	C	.	.	S	Bend	trans	-78.9	-30.3	-173.8	66.6	0	0	0	0	113.7	K458 E473	S382-K458 VanDerWaalsContact O-CB 3.32Å; S382-K458 WeakPolarHBondContact O-CB 3.33Å; S382-K458 PolarHBondContact O-N 2.85Å; S382-E473 WeakPolarHBondContact CB-OE1 3.37Å; S382-E473 PolarHBondContact OG-OE1 3.36Å
383	G	88.4	Confident	90.3	Very high	8 Å²	8	31.4 Å²	31.4	8%	0.082	17%	0.166	C	C	.	.	S	Bend	trans	-163.8	-178	-178.4	0	0	0	0	0	115.8	E386 I387	G383-E386 WeakPolarHBondContact CA-OE2 3.35Å; G383-E386 PolarHBondContact N-OE2 2.82Å; G383-E386 PolarHBondContact O-N 2.72Å; G383-I387 VanDerWaalsContact O-CG1 3.28Å; G383-I387 WeakPolarHBondContact O-CG1 3.41Å; G383-I387 PolarHBondContact O-N 3.3Å
384	V	85.1	Confident	90.6	Very high	35 Å²	35	28.4 Å²	28.4	21%	0.212	15%	0.152	C	C	.	.	H	α-helix	trans	-65.8	-42.7	-173.4	-177.5	0	0	0	0	112.2	E386 I387 S388 H410	V384-E386 VanDerWaalsContact C-N 3.26Å; V384-E386 PolarHBondContact O-N 3.41Å; V384-I387 WeakPolarHBondContact O-CB 3.35Å; V384-I387 PolarHBondContact O-N 2.97Å; V384-I387 VanDerWaalsContact O-N 3.09Å; V384-S388 PolarHBondContact O-N 3.29Å; V384-S388 PolarHBondContact O-OG 2.77Å; V384-S388 VanDerWaalsContact O-OG 3.05Å; V384-H410 HydrophobicContact CG2-CB 4.32Å
385	A	84	Confident	91.1	Very high	66 Å²	66	21.2 Å²	21.2	55%	0.545	13%	0.126	S	C	.	.	H	α-helix	trans	-61.1	-38.6	179.4	0	0	0	0	0	111.9	N389	A385-N389 WeakPolarHBondContact O-CB 3.12Å; A385-N389 PolarHBondContact O-N 2.92Å
386	E	88.9	Confident	91.1	Very high	35 Å²	35	25.1 Å²	25.1	16%	0.164	15%	0.149	C	C	.	.	H	α-helix	trans	-66.6	-44.2	173.8	-63.4	73.8	-157.8	0	0	110.9	L353 L381 G383 V384 N389 I390 K458	L353-E386 HydrophobicContact CD2-CB 3.95Å; L353-E386 HydrophobicContact CD2-CG 4.1Å; L381-E386 HydrophobicContact CB-CB 4.19Å; L381-E386 HydrophobicContact CD1-CB 4.18Å; G383-E386 WeakPolarHBondContact CA-OE2 3.35Å; G383-E386 PolarHBondContact N-OE2 2.82Å; G383-E386 PolarHBondContact O-N 2.72Å; V384-E386 VanDerWaalsContact C-N 3.26Å; V384-E386 PolarHBondContact O-N 3.41Å; E386-N389 PolarHBondContact O-N 3.14Å; E386-I390 WeakPolarHBondContact O-CG1 3.28Å; E386-I390 PolarHBondContact O-N 3.21Å; E386-I390 VanDerWaalsContact O-N 3.08Å; E386-K458 IonicContact OE1-NZ 3.44Å; E386-K458 PolarHBondContact OE1-NZ 3.15Å; E386-K458 IonicContact OE2-NZ 3.95Å; E386-K458 PolarHBondContact OE2-NZ 2.9Å
387	I	90.8	Very high	91	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-57.2	-52.7	176.4	-69.6	167.8	0	0	0	111.2	L381 G383 V384 N389 I390 Q391 P408 H410 I434 T436	L381-I387 HydrophobicContact CB-CG1 4.19Å; L381-I387 HydrophobicContact CD1-CG1 4.13Å; G383-I387 VanDerWaalsContact O-CG1 3.28Å; G383-I387 WeakPolarHBondContact O-CG1 3.41Å; G383-I387 PolarHBondContact O-N 3.3Å; V384-I387 WeakPolarHBondContact O-CB 3.35Å; V384-I387 PolarHBondContact O-N 2.97Å; V384-I387 VanDerWaalsContact O-N 3.09Å; I387-N389 VanDerWaalsContact C-N 3.31Å; I387-N389 PolarHBondContact O-N 2.96Å; I387-I390 PolarHBondContact O-N 3.32Å; I387-Q391 WeakPolarHBondContact O-CB 3.39Å; I387-Q391 PolarHBondContact O-N 2.85Å; I387-P408 HydrophobicContact CG2-CB 3.77Å; I387-H410 HydrophobicContact CD1-CB 4.09Å; I387-I434 HydrophobicContact CB-CG2 4.26Å; I387-I434 HydrophobicContact CG1-CG2 3.96Å; I387-I434 HydrophobicContact CG2-CB 4.31Å; I387-I434 HydrophobicContact CG2-CG2 4.04Å; I387-T436 HydrophobicContact CD1-CG2 3.68Å
388	S	87.8	Confident	90.7	Very high	34 Å²	34	26.5 Å²	26.5	24%	0.238	15%	0.154	C	C	.	.	H	α-helix	trans	-60.7	-40.9	-176.5	-47.4	0	0	0	0	111.7	V384 Q391 E392 E745	V384-S388 PolarHBondContact O-N 3.29Å; V384-S388 PolarHBondContact O-OG 2.77Å; V384-S388 VanDerWaalsContact O-OG 3.05Å; S388-Q391 PolarHBondContact O-N 2.79Å; S388-E392 PolarHBondContact O-N 2.83Å; S388-E745 WeakPolarHBondContact CB-OE2 3.47Å; S388-E745 PolarHBondContact OG-OE2 2.85Å
389	N	88.6	Confident	90.4	Very high	34 Å²	34	29.5 Å²	29.5	18%	0.182	17%	0.173	C	C	.	.	H	α-helix	trans	-66.3	-44.9	179.7	-174.9	25.7	0	0	0	112.5	L353 A385 E386 I387	L353-N389 PolarHBondContact N-ND2 3.09Å; L353-N389 PolarHBondContact O-ND2 2.83Å; A385-N389 WeakPolarHBondContact O-CB 3.12Å; A385-N389 PolarHBondContact O-N 2.92Å; E386-N389 PolarHBondContact O-N 3.14Å; I387-N389 VanDerWaalsContact C-N 3.31Å; I387-N389 PolarHBondContact O-N 2.96Å
390	I	91.4	Very high	90.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-70.8	-36.1	176.8	-59.2	-54.6	0	0	0	111.3	L353 P355 Y358 L379 L381 E386 I387 A393 C394 I434	L353-I390 HydrophobicContact CD2-CD1 3.94Å; L353-I390 HydrophobicContact CD2-CG1 3.9Å; L353-I390 HydrophobicContact CG-CD1 4.21Å; P355-I390 HydrophobicContact CB-CD1 3.9Å; Y358-I390 HydrophobicContact CD2-CD1 3.44Å; Y358-I390 VanDerWaalsContact CD2-CD1 3.44Å; Y358-I390 HydrophobicContact CD2-CG1 4.15Å; Y358-I390 HydrophobicContact CD2-CG2 4.48Å; Y358-I390 HydrophobicContact CE2-CD1 3.71Å; Y358-I390 HydrophobicContact CE2-CG1 4.27Å; Y358-I390 HydrophobicContact CG-CD1 4.2Å; Y358-I390 HydrophobicContact CG-CG2 4.18Å; L379-I390 HydrophobicContact CD1-CG2 4.08Å; L381-I390 HydrophobicContact CD1-CB 4Å; L381-I390 HydrophobicContact CD1-CG1 3.71Å; E386-I390 WeakPolarHBondContact O-CG1 3.28Å; E386-I390 PolarHBondContact O-N 3.21Å; E386-I390 VanDerWaalsContact O-N 3.08Å; I387-I390 PolarHBondContact O-N 3.32Å; I390-A393 PolarHBondContact O-N 2.87Å; I390-C394 WeakPolarHBondContact O-CB 3.3Å; I390-C394 PolarHBondContact O-N 3.37Å; I390-C394 PolarHBondContact O-SG 3.31Å; I390-I434 HydrophobicContact CG2-CD1 4.09Å
391	Q	91.2	Very high	89.7	Confident	11 Å²	11	39 Å²	39	5%	0.051	22%	0.22	C	C	.	.	H	α-helix	trans	-59.5	-48.5	176.8	178	-176.3	-14.5	0	0	111.2	I387 S388 A393 C394 Q395 V406 I434	I387-Q391 WeakPolarHBondContact O-CB 3.39Å; I387-Q391 PolarHBondContact O-N 2.85Å; S388-Q391 PolarHBondContact O-N 2.79Å; Q391-A393 PolarHBondContact O-N 2.97Å; Q391-C394 PolarHBondContact O-N 3.36Å; Q391-Q395 VanDerWaalsContact O-CB 3.24Å; Q391-Q395 WeakPolarHBondContact O-CB 3.34Å; Q391-Q395 PolarHBondContact O-N 2.83Å; Q391-V406 HydrophobicContact CG-CG1 4Å; Q391-I434 HydrophobicContact CB-CD1 3.96Å
392	E	88.8	Confident	89.4	Confident	138 Å²	138	48 Å²	48	65%	0.645	25%	0.253	S	S	*	.	H	α-helix	trans	-55.6	-50.4	179.9	-175.2	176.8	-172.5	0	0	111.2	S388 C394 Q395 V396	S388-E392 PolarHBondContact O-N 2.83Å; E392-C394 PolarHBondContact O-N 2.83Å; E392-Q395 PolarHBondContact O-N 3.33Å; E392-V396 WeakPolarHBondContact O-CG2 3.38Å; E392-V396 PolarHBondContact O-N 3.29Å; E392-V396 VanDerWaalsContact O-N 3.12Å
393	A	90.6	Very high	89.3	Confident	21 Å²	21	49.8 Å²	49.8	17%	0.174	26%	0.259	C	S	.	.	H	α-helix	trans	-64	-42.6	178.5	0	0	0	0	0	112.8	P355 L359 I390 Q391 Q395 V396 Y397	P355-A393 HydrophobicContact CB-CB 3.42Å; P355-A393 VanDerWaalsContact CB-CB 3.42Å; P355-A393 HydrophobicContact CG-CB 3.89Å; L359-A393 HydrophobicContact CD1-CB 4.21Å; I390-A393 PolarHBondContact O-N 2.87Å; Q391-A393 PolarHBondContact O-N 2.97Å; A393-Q395 VanDerWaalsContact C-N 3.27Å; A393-Q395 PolarHBondContact O-N 3.46Å; A393-V396 PolarHBondContact O-N 3.32Å; A393-Y397 PolarHBondContact O-N 2.85Å
394	C	92.2	Very high	89.5	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-64.7	-33.6	175.8	-69.7	0	0	0	0	111.9	L362 I390 Q391 E392 Y397 A398 V406	L362-C394 HydrophobicContact CD2-CB 4.4Å; I390-C394 WeakPolarHBondContact O-CB 3.3Å; I390-C394 PolarHBondContact O-N 3.37Å; I390-C394 PolarHBondContact O-SG 3.31Å; Q391-C394 PolarHBondContact O-N 3.36Å; E392-C394 PolarHBondContact O-N 2.83Å; C394-Y397 PolarHBondContact O-N 3.41Å; C394-A398 VanDerWaalsContact O-CB 3.31Å; C394-A398 WeakPolarHBondContact O-CB 3.49Å; C394-A398 PolarHBondContact O-N 3.47Å; C394-V406 HydrophobicContact CB-CG1 4.07Å; C394-V406 HydrophobicContact CB-CG2 3.91Å
395	Q	90.8	Very high	89.9	Confident	27 Å²	27	48 Å²	48	13%	0.126	25%	0.246	C	C	.	.	H	α-helix	trans	-71	-37.4	-179	-169.4	55.1	31.3	0	0	111.9	Q391 E392 A393 A398 T399 G741	Q391-Q395 VanDerWaalsContact O-CB 3.24Å; Q391-Q395 WeakPolarHBondContact O-CB 3.34Å; Q391-Q395 PolarHBondContact O-N 2.83Å; E392-Q395 PolarHBondContact O-N 3.33Å; A393-Q395 VanDerWaalsContact C-N 3.27Å; A393-Q395 PolarHBondContact O-N 3.46Å; Q395-A398 PolarHBondContact O-N 3.4Å; Q395-T399 WeakPolarHBondContact O-CB 3.37Å; Q395-T399 PolarHBondContact O-N 3.04Å; Q395-T399 PolarHBondContact O-OG1 3.21Å; Q395-G741 VanDerWaalsContact NE2-C 3.35Å; Q395-G741 PolarHBondContact NE2-O 2.74Å; Q395-G741 VanDerWaalsContact NE2-O 3.12Å; Q395-G741 PolarHBondContact OE1-O 3.5Å
396	V	91	Very high	90.3	Very high	83 Å²	83	45 Å²	45	50%	0.503	22%	0.22	S	C	.	.	H	α-helix	trans	-58.9	-50.1	170.1	174.1	0	0	0	0	109.8	E392 A393 A398 T399 H400	E392-V396 WeakPolarHBondContact O-CG2 3.38Å; E392-V396 PolarHBondContact O-N 3.29Å; E392-V396 VanDerWaalsContact O-N 3.12Å; A393-V396 PolarHBondContact O-N 3.32Å; V396-A398 PolarHBondContact O-N 3.42Å; V396-T399 WeakPolarHBondContact O-CB 3.23Å; V396-T399 PolarHBondContact O-N 2.9Å; V396-H400 PolarHBondContact O-CD2 3.48Å; V396-H400 PolarHBondContact O-N 2.99Å
397	Y	91.7	Very high	90.5	Very high	43 Å²	43	43.7 Å²	43.7	17%	0.169	21%	0.214	C	C	.	.	H	α-helix	trans	-61	-41.9	177.7	-176.4	-101.9	0	0	0	113.1	L359 L362 Q363 D366 A393 C394 T399 H400 T401 W404	L359-Y397 HydrophobicContact CD2-CG 4.42Å; L362-Y397 HydrophobicContact CB-CD1 4.31Å; L362-Y397 HydrophobicContact CB-CE1 4.08Å; L362-Y397 HydrophobicContact CD2-CD1 4.09Å; Q363-Y397 HydrophobicContact CG-CD2 4.44Å; Q363-Y397 HydrophobicContact CG-CE2 3.58Å; D366-Y397 PolarHBondContact OD2-OH 3.07Å; A393-Y397 PolarHBondContact O-N 2.85Å; C394-Y397 PolarHBondContact O-N 3.41Å; Y397-T399 VanDerWaalsContact C-N 3.29Å; Y397-T399 PolarHBondContact O-N 2.91Å; Y397-H400 PolarHBondContact O-N 3.45Å; Y397-T401 HydrophobicContact CD1-CG2 4.25Å; Y397-T401 HydrophobicContact CD2-CG2 4.31Å; Y397-T401 HydrophobicContact CE1-CG2 3.74Å; Y397-T401 HydrophobicContact CE2-CG2 3.8Å; Y397-T401 VanDerWaalsContact CZ-CG2 3.49Å; Y397-T401 PolarHBondContact O-N 2.94Å; Y397-T401 PolarHBondContact O-OG1 2.86Å; Y397-W404 AromaticContact CE1-NE1 3.99Å
398	A	90.1	Very high	90.6	Very high	5 Å²	5	44.7 Å²	44.7	4%	0.041	22%	0.221	C	C	.	.	H	α-helix	trans	-62.3	-36.3	176.5	0	0	0	0	0	112.2	C394 Q395 V396 R402 W404 V406	C394-A398 VanDerWaalsContact O-CB 3.31Å; C394-A398 WeakPolarHBondContact O-CB 3.49Å; C394-A398 PolarHBondContact O-N 3.47Å; Q395-A398 PolarHBondContact O-N 3.4Å; V396-A398 PolarHBondContact O-N 3.42Å; A398-R402 VanDerWaalsContact O-CA 3.28Å; A398-R402 WeakPolarHBondContact O-CA 3.28Å; A398-R402 PolarHBondContact O-N 3.32Å; A398-W404 HydrophobicContact CB-CB 3.9Å; A398-V406 HydrophobicContact CB-CG2 3.96Å
399	T	89.5	Confident	90.6	Very high	65 Å²	65	43.3 Å²	43.3	40%	0.399	21%	0.211	S	C	.	.	H	α-helix	trans	-67.1	-38.7	177.8	-57.9	0	0	0	0	111.8	Q395 V396 Y397	Q395-T399 WeakPolarHBondContact O-CB 3.37Å; Q395-T399 PolarHBondContact O-N 3.04Å; Q395-T399 PolarHBondContact O-OG1 3.21Å; V396-T399 WeakPolarHBondContact O-CB 3.23Å; V396-T399 PolarHBondContact O-N 2.9Å; Y397-T399 VanDerWaalsContact C-N 3.29Å; Y397-T399 PolarHBondContact O-N 2.91Å
400	H	88.7	Confident	90.4	Very high	155 Å²	155	41.8 Å²	41.8	72%	0.718	20%	0.203	S	C	*	.	H	α-helix	trans	-71.6	-43.1	176.2	-72.5	-69.4	0	0	0	113	V396 Y397	V396-H400 PolarHBondContact O-CD2 3.48Å; V396-H400 PolarHBondContact O-N 2.99Å; Y397-H400 PolarHBondContact O-N 3.45Å
401	T	88.3	Confident	89.7	Confident	44 Å²	44	45 Å²	45	27%	0.27	23%	0.225	S	C	.	.	H	α-helix	trans	-85.4	-29.3	-174.8	55.7	0	0	0	0	113.6	Y397 R403	Y397-T401 HydrophobicContact CD1-CG2 4.25Å; Y397-T401 HydrophobicContact CD2-CG2 4.31Å; Y397-T401 HydrophobicContact CE1-CG2 3.74Å; Y397-T401 HydrophobicContact CE2-CG2 3.8Å; Y397-T401 VanDerWaalsContact CZ-CG2 3.49Å; Y397-T401 PolarHBondContact O-N 2.94Å; Y397-T401 PolarHBondContact O-OG1 2.86Å; T401-R403 PolarHBondContact O-N 3.36Å; T401-R403 VanDerWaalsContact O-N 3.14Å
402	R	89	Confident	88.8	Confident	192 Å²	192	48 Å²	48	73%	0.725	24%	0.244	S	C	*	.	S	Bend	trans	53.5	22.6	-169.7	-58.1	-175.5	176.8	-179.5	-1.6	114.2	A398	A398-R402 VanDerWaalsContact O-CA 3.28Å; A398-R402 WeakPolarHBondContact O-CA 3.28Å; A398-R402 PolarHBondContact O-N 3.32Å
403	R	88.4	Confident	88	Confident	50 Å²	50	41.9 Å²	41.9	19%	0.189	22%	0.216	C	C	.	.			trans	-100.2	-10.5	-179.7	-68.1	-176.6	70.8	178.1	-2.9	113.7	D366 Y369 T401 V429 R430	D366-R403 PolarHBondContact O-NH1 3.47Å; D366-R403 IonicContact OD1-CZ 3.71Å; D366-R403 VanDerWaalsContact OD1-CZ 3.29Å; D366-R403 IonicContact OD1-NE 3.44Å; D366-R403 PolarHBondContact OD1-NE 2.83Å; D366-R403 IonicContact OD1-NH1 2.69Å; D366-R403 IonicContact OD1-NH2 3.98Å; Y369-R403 PolarHBondContact O-NH2 3.15Å; T401-R403 PolarHBondContact O-N 3.36Å; T401-R403 VanDerWaalsContact O-N 3.14Å; R403-V429 WeakPolarHBondContact O-CA 3.42Å; R403-R430 PolarHBondContact O-N 2.9Å
404	W	92.3	Very high	86.8	Confident	5 Å²	5	41.8 Å²	41.8	2%	0.019	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	143.8	-171.8	-63.4	93.3	0	0	0	112.3	L362 I365 D366 L377 Y397 A398 R430 C432	L362-W404 HydrophobicContact CD2-CD2 4.35Å; L362-W404 HydrophobicContact CD2-CG 4.47Å; L362-W404 HydrophobicContact CG-CZ2 4.41Å; I365-W404 HydrophobicContact CB-CH2 4.43Å; I365-W404 HydrophobicContact CB-CZ2 4.25Å; I365-W404 HydrophobicContact CD1-CH2 4.29Å; I365-W404 HydrophobicContact CG2-CH2 3.9Å; I365-W404 HydrophobicContact CG2-CZ2 3.9Å; D366-W404 VanDerWaalsContact CG-NE1 3.31Å; D366-W404 WeakPolarHBondContact OD1-CZ2 3.47Å; D366-W404 PolarHBondContact OD1-NE1 3.07Å; D366-W404 PolarHBondContact OD2-NE1 2.82Å; L377-W404 HydrophobicContact CB-CH2 4.11Å; L377-W404 HydrophobicContact CB-CZ3 3.71Å; L377-W404 HydrophobicContact CD2-CH2 4.44Å; L377-W404 HydrophobicContact CD2-CZ3 4.38Å; Y397-W404 AromaticContact CE1-NE1 3.99Å; A398-W404 HydrophobicContact CB-CB 3.9Å; W404-R430 CarbonylContact C-O 3.59Å; W404-R430 VanDerWaalsContact CA-O 3.3Å; W404-R430 WeakPolarHBondContact CA-O 3.41Å; W404-R430 HydrophobicContact CD2-CB 4.29Å; W404-R430 HydrophobicContact CE3-CB 3.65Å; W404-R430 HydrophobicContact CH2-CB 4.15Å; W404-R430 HydrophobicContact CZ3-CB 3.58Å; W404-R430 HydrophobicContact CZ3-CG 4.49Å; W404-C432 HydrophobicContact CE3-CB 3.82Å; W404-C432 HydrophobicContact CZ3-CB 4.34Å
405	I	93.3	Very high	85.6	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	113.2	163.3	-61.7	170.5	0	0	0	106.7	L407 V429 R430 K431 C432 L736 L738	I405-L407 HydrophobicContact CG2-CD1 4.47Å; I405-L407 HydrophobicContact CG2-CD2 4.01Å; I405-L407 HydrophobicContact CG2-CG 4.07Å; I405-V429 HydrophobicContact CD1-CG1 3.9Å; I405-V429 HydrophobicContact CG1-CG1 3.71Å; I405-R430 PolarHBondContact N-O 2.97Å; I405-K431 CarbonylContact O-C 3.6Å; I405-K431 WeakPolarHBondContact O-CA 3.38Å; I405-C432 PolarHBondContact O-N 3.31Å; I405-L736 HydrophobicContact CD1-CB 3.83Å; I405-L736 HydrophobicContact CD1-CD1 4.44Å; I405-L736 HydrophobicContact CG2-CD1 4.45Å; I405-L738 HydrophobicContact CG1-CD2 4.24Å
406	V	93.9	Very high	84.5	Confident	2 Å²	2	47.8 Å²	47.8	1%	0.012	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	126.8	-178.2	-169.6	0	0	0	0	109.3	Q391 C394 A398 C432 I434	Q391-V406 HydrophobicContact CG-CG1 4Å; C394-V406 HydrophobicContact CB-CG1 4.07Å; C394-V406 HydrophobicContact CB-CG2 3.91Å; A398-V406 HydrophobicContact CB-CG2 3.96Å; V406-C432 CarbonylContact C-O 3.53Å; V406-C432 WeakPolarHBondContact CA-O 3.33Å; V406-C432 HydrophobicContact CG2-CB 4.32Å; V406-I434 HydrophobicContact CG1-CD1 3.65Å; V406-I434 HydrophobicContact CG1-CG1 4.25Å
407	L	92.8	Very high	83.6	Confident	8 Å²	8	46.6 Å²	46.6	4%	0.042	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	121.2	-176.5	-61.7	174.2	0	0	0	110.3	I405 V421 K431 C432 I433 I434 L736	I405-L407 HydrophobicContact CG2-CD1 4.47Å; I405-L407 HydrophobicContact CG2-CD2 4.01Å; I405-L407 HydrophobicContact CG2-CG 4.07Å; L407-V421 HydrophobicContact CB-CG1 4.4Å; L407-V421 HydrophobicContact CD1-CG1 4.46Å; L407-K431 HydrophobicContact CD1-CD 4.26Å; L407-C432 PolarHBondContact N-O 3.21Å; L407-I433 CarbonylContact O-C 3.59Å; L407-I433 WeakPolarHBondContact O-CA 3.32Å; L407-I434 PolarHBondContact O-N 3.13Å; L407-L736 HydrophobicContact CD1-CD1 4.02Å
408	P	91.5	Very high	83	Confident	22 Å²	22	45.7 Å²	45.7	14%	0.143	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	148.9	170.2	31.5	-33.6	0	0	0	110.8	I387 L413 I434	I387-P408 HydrophobicContact CG2-CB 3.77Å; P408-L413 HydrophobicContact CB-CD1 4.25Å; P408-L413 HydrophobicContact CG-CD1 4.23Å; P408-L413 WeakPolarHBondContact O-CD1 3.5Å; P408-I434 CarbonylContact C-O 3.58Å; P408-I434 WeakPolarHBondContact CA-O 3.48Å
409	L	88.5	Confident	82.4	Confident	4 Å²	4	49.8 Å²	49.8	2%	0.021	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	96.6	175.7	-177	64.4	0	0	0	111.7	Q418 V421 I433 I434 S435 T436 I438 A439 I445	L409-Q418 HydrophobicContact CD1-CB 4.17Å; L409-Q418 HydrophobicContact CD1-CG 4.15Å; L409-V421 HydrophobicContact CB-CG1 4.28Å; L409-V421 HydrophobicContact CD1-CG1 4.06Å; L409-V421 HydrophobicContact CD1-CG2 4.36Å; L409-V421 HydrophobicContact CD2-CG1 4.32Å; L409-V421 HydrophobicContact CD2-CG2 4.25Å; L409-V421 HydrophobicContact CG-CG1 4.44Å; L409-I433 HydrophobicContact CB-CG2 4.07Å; L409-I433 HydrophobicContact CD2-CG2 4.19Å; L409-I434 PolarHBondContact N-O 2.91Å; L409-S435 WeakPolarHBondContact O-CA 3.2Å; L409-S435 PolarHBondContact O-OG 3.08Å; L409-T436 PolarHBondContact O-N 3.46Å; L409-I438 HydrophobicContact CD2-CG2 4.27Å; L409-I438 HydrophobicContact CG-CG2 3.89Å; L409-I438 WeakPolarHBondContact O-CG2 3.1Å; L409-A439 HydrophobicContact CD2-CB 4.26Å; L409-I445 HydrophobicContact CD2-CD1 3.88Å
410	H	85.4	Confident	82	Confident	2 Å²	2	49.2 Å²	49.2	1%	0.009	26%	0.256	C	S	.	.			trans	-142.2	165.2	173.1	55.4	93.7	0	0	0	111.5	V384 I387 T412 L413 T436 E745	V384-H410 HydrophobicContact CG2-CB 4.32Å; I387-H410 HydrophobicContact CD1-CB 4.09Å; H410-T412 VanDerWaalsContact C-N 3.27Å; H410-T412 PolarHBondContact CE1-OG1 3.28Å; H410-T412 PolarHBondContact ND1-OG1 2.64Å; H410-T412 PolarHBondContact O-N 3.26Å; H410-L413 VanDerWaalsContact CE1-CG 3.5Å; H410-L413 WeakPolarHBondContact CE1-CG 3.27Å; H410-L413 WeakPolarHBondContact NE2-CD2 3.43Å; H410-L413 WeakPolarHBondContact NE2-CG 3.42Å; H410-L413 WeakPolarHBondContact O-CB 3.44Å; H410-L413 PolarHBondContact O-N 2.62Å; H410-T436 HydrophobicContact CB-CG2 4.08Å; H410-E745 IonicContact CE1-OE1 2.91Å; H410-E745 IonicContact NE2-OE1 2.77Å; H410-E745 PolarHBondContact NE2-OE1 2.78Å
411	S	75.4	Confident	81.8	Confident	68 Å²	68	41.9 Å²	41.9	48%	0.476	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-20.6	-170.3	56.8	0	0	0	0	115.4
412	T	72.3	Confident	81.6	Confident	73 Å²	73	44 Å²	44	45%	0.448	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-6.5	179.5	64.1	0	0	0	0	113.4	H410	H410-T412 VanDerWaalsContact C-N 3.27Å; H410-T412 PolarHBondContact CE1-OG1 3.28Å; H410-T412 PolarHBondContact ND1-OG1 2.64Å; H410-T412 PolarHBondContact O-N 3.26Å
413	L	72.2	Confident	81.4	Confident	10 Å²	10	36.4 Å²	36.4	5%	0.052	20%	0.202	C	C	.	.	S	Bend	trans	-70.5	152.1	173	-65.3	175.2	0	0	0	111.4	P408 H410 Q417 Q418	P408-L413 HydrophobicContact CB-CD1 4.25Å; P408-L413 HydrophobicContact CG-CD1 4.23Å; P408-L413 WeakPolarHBondContact O-CD1 3.5Å; H410-L413 VanDerWaalsContact CE1-CG 3.5Å; H410-L413 WeakPolarHBondContact CE1-CG 3.27Å; H410-L413 WeakPolarHBondContact NE2-CD2 3.43Å; H410-L413 WeakPolarHBondContact NE2-CG 3.42Å; H410-L413 WeakPolarHBondContact O-CB 3.44Å; H410-L413 PolarHBondContact O-N 2.62Å; L413-Q417 HydrophobicContact CB-CB 4.25Å; L413-Q418 HydrophobicContact CB-CG 3.92Å; L413-Q418 PolarHBondContact O-NE2 3.36Å
414	S	66.6	Low	81.2	Confident	20 Å²	20	35.9 Å²	35.9	14%	0.14	20%	0.204	C	C	.	.			trans	-61.8	153.3	170.2	67.2	0	0	0	0	111.4	A416 Q417 Q418	S414-A416 VanDerWaalsContact C-N 3.26Å; S414-A416 PolarHBondContact O-N 2.94Å; S414-Q417 VanDerWaalsContact N-OE1 3.12Å; S414-Q417 PolarHBondContact O-N 2.98Å; S414-Q417 VanDerWaalsContact O-N 3.09Å; S414-Q417 WeakPolarHBondContact OG-CB 3.5Å; S414-Q417 VanDerWaalsContact OG-CD 3.25Å; S414-Q417 VanDerWaalsContact OG-CG 3.23Å; S414-Q417 WeakPolarHBondContact OG-CG 3.37Å; S414-Q417 PolarHBondContact OG-N 3.43Å; S414-Q417 PolarHBondContact OG-OE1 3.46Å; S414-Q418 WeakPolarHBondContact O-CG 3.11Å; S414-Q418 PolarHBondContact O-N 3.15Å
415	L	66	Low	80.9	Confident	80 Å²	80	36.2 Å²	36.2	42%	0.419	21%	0.208	S	C	.	.	H	α-helix	trans	-57.9	-40.1	178.1	-70.3	174	0	0	0	112	I211 Q417 Q418 D419	I211-L415 HydrophobicContact CD1-CD2 4.42Å; L415-Q417 VanDerWaalsContact C-N 3.3Å; L415-Q417 PolarHBondContact O-N 3.35Å; L415-Q418 PolarHBondContact O-N 3.41Å; L415-D419 WeakPolarHBondContact O-CB 3.5Å; L415-D419 VanDerWaalsContact O-CG 3.28Å; L415-D419 PolarHBondContact O-N 3.01Å
416	A	67.9	Low	80.7	Confident	72 Å²	72	37.7 Å²	37.7	60%	0.595	22%	0.217	S	C	*	.	H	α-helix	trans	-62.3	-36.3	177.7	0	0	0	0	0	112.5	S414	S414-A416 VanDerWaalsContact C-N 3.26Å; S414-A416 PolarHBondContact O-N 2.94Å
417	Q	72.7	Confident	80.2	Confident	58 Å²	58	43 Å²	43	27%	0.271	25%	0.252	S	S	.	.	H	α-helix	trans	-72.5	-40.5	175	-74.5	166.3	-39.5	0	0	111.9	L413 S414 L415 D419 K420	L413-Q417 HydrophobicContact CB-CB 4.25Å; S414-Q417 VanDerWaalsContact N-OE1 3.12Å; S414-Q417 PolarHBondContact O-N 2.98Å; S414-Q417 VanDerWaalsContact O-N 3.09Å; S414-Q417 WeakPolarHBondContact OG-CB 3.5Å; S414-Q417 VanDerWaalsContact OG-CD 3.25Å; S414-Q417 VanDerWaalsContact OG-CG 3.23Å; S414-Q417 WeakPolarHBondContact OG-CG 3.37Å; S414-Q417 PolarHBondContact OG-N 3.43Å; S414-Q417 PolarHBondContact OG-OE1 3.46Å; L415-Q417 VanDerWaalsContact C-N 3.3Å; L415-Q417 PolarHBondContact O-N 3.35Å; Q417-D419 VanDerWaalsContact C-N 3.26Å; Q417-D419 PolarHBondContact O-N 2.87Å; Q417-K420 WeakPolarHBondContact O-CB 3.25Å; Q417-K420 PolarHBondContact O-N 2.86Å
418	Q	78	Confident	79.8	Confident	25 Å²	25	44.3 Å²	44.3	12%	0.117	27%	0.267	C	S	.	.	H	α-helix	trans	-61.7	-38.1	174.4	-65.5	-178.9	30.1	0	0	111	L409 L413 S414 L415 K420 V421	L409-Q418 HydrophobicContact CD1-CB 4.17Å; L409-Q418 HydrophobicContact CD1-CG 4.15Å; L413-Q418 HydrophobicContact CB-CG 3.92Å; L413-Q418 PolarHBondContact O-NE2 3.36Å; S414-Q418 WeakPolarHBondContact O-CG 3.11Å; S414-Q418 PolarHBondContact O-N 3.15Å; L415-Q418 PolarHBondContact O-N 3.41Å; Q418-K420 VanDerWaalsContact C-N 3.29Å; Q418-K420 PolarHBondContact O-N 3.37Å; Q418-V421 WeakPolarHBondContact O-CG2 3.48Å; Q418-V421 PolarHBondContact O-N 2.96Å
419	D	77.5	Confident	79.7	Confident	91 Å²	91	44.4 Å²	44.4	49%	0.487	27%	0.267	S	S	.	.	H	α-helix	trans	-66.3	-27.6	-177.9	-77	-19.3	0	0	0	113.5	L415 Q417 V421 F422	L415-D419 WeakPolarHBondContact O-CB 3.5Å; L415-D419 VanDerWaalsContact O-CG 3.28Å; L415-D419 PolarHBondContact O-N 3.01Å; Q417-D419 VanDerWaalsContact C-N 3.26Å; Q417-D419 PolarHBondContact O-N 2.87Å; D419-V421 PolarHBondContact O-N 3.36Å; D419-F422 WeakPolarHBondContact O-CD2 3.36Å; D419-F422 PolarHBondContact O-N 3.13Å
420	K	81.8	Confident	79.9	Confident	53 Å²	53	44.5 Å²	44.5	23%	0.23	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-55.3	-28.7	177.7	-68.2	-176.1	177.2	-173	0	112.9	Q417 Q418 F422 D423 L736	Q417-K420 WeakPolarHBondContact O-CB 3.25Å; Q417-K420 PolarHBondContact O-N 2.86Å; Q418-K420 VanDerWaalsContact C-N 3.29Å; Q418-K420 PolarHBondContact O-N 3.37Å; K420-F422 PolarHBondContact O-N 3.48Å; K420-D423 WeakPolarHBondContact O-CB 3.48Å; K420-D423 PolarHBondContact O-N 2.9Å; K420-L736 HydrophobicContact CB-CD2 4.36Å
421	V	85.1	Confident	80.3	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.006	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-67.2	-22.2	-179.3	-51.4	0	0	0	0	112.8	L407 L409 Q418 D419 K431 I433 I445	L407-V421 HydrophobicContact CB-CG1 4.4Å; L407-V421 HydrophobicContact CD1-CG1 4.46Å; L409-V421 HydrophobicContact CB-CG1 4.28Å; L409-V421 HydrophobicContact CD1-CG1 4.06Å; L409-V421 HydrophobicContact CD1-CG2 4.36Å; L409-V421 HydrophobicContact CD2-CG1 4.32Å; L409-V421 HydrophobicContact CD2-CG2 4.25Å; L409-V421 HydrophobicContact CG-CG1 4.44Å; Q418-V421 WeakPolarHBondContact O-CG2 3.48Å; Q418-V421 PolarHBondContact O-N 2.96Å; D419-V421 PolarHBondContact O-N 3.36Å; V421-K431 PolarHBondContact O-NZ 3.45Å; V421-I433 HydrophobicContact CB-CD1 4.29Å; V421-I433 HydrophobicContact CG1-CG2 4.24Å; V421-I445 HydrophobicContact CB-CD1 4.3Å; V421-I445 HydrophobicContact CG2-CD1 3.99Å; V421-I445 HydrophobicContact CG2-CG1 4.3Å
422	F	83.9	Confident	81.3	Confident	87 Å²	87	41.4 Å²	41.4	38%	0.382	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-86	-13.6	177.5	-54.9	-69	0	0	0	113.5	D419 K420 V443 I445	D419-F422 WeakPolarHBondContact O-CD2 3.36Å; D419-F422 PolarHBondContact O-N 3.13Å; K420-F422 PolarHBondContact O-N 3.48Å; F422-V443 HydrophobicContact CE1-CG1 3.51Å; F422-V443 HydrophobicContact CZ-CG1 3.43Å; F422-V443 VanDerWaalsContact CZ-CG1 3.43Å; F422-I445 HydrophobicContact CE1-CG1 4.46Å
423	D	84.4	Confident	82.3	Confident	33 Å²	33	37.9 Å²	37.9	18%	0.176	22%	0.224	C	C	.	.	S	Bend	trans	-72	160.1	178.1	-70.9	-33.3	0	0	0	111.6	K420 K431 K734 L736	K420-D423 WeakPolarHBondContact O-CB 3.48Å; K420-D423 PolarHBondContact O-N 2.9Å; D423-K431 PolarHBondContact O-NZ 3.04Å; D423-K734 WeakPolarHBondContact CB-O 3.47Å; D423-K734 WeakPolarHBondContact OD1-CB 3.43Å; D423-L736 HydrophobicContact CB-CD1 4.23Å; D423-L736 HydrophobicContact CB-CD2 3.72Å; D423-L736 HydrophobicContact CB-CG 3.66Å
424	V	84.4	Confident	83.5	Confident	40 Å²	40	37.4 Å²	37.4	24%	0.242	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-93.8	130.4	-173.1	-176.9	0	0	0	0	109.6	R733 K734 V735 L736	V424-R733 HydrophobicContact CG2-CB 4.16Å; V424-K734 PolarHBondContact N-O 3.2Å; V424-K734 VanDerWaalsContact N-O 3.08Å; V424-V735 WeakPolarHBondContact O-CA 3.38Å; V424-L736 PolarHBondContact O-N 3.49Å
425	A	86.2	Confident	84.8	Confident	11 Å²	11	36.5 Å²	36.5	9%	0.091	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-70.7	148.6	172.8	0	0	0	0	0	111.9	V429 K431	A425-V429 WeakPolarHBondContact CB-O 3.48Å; A425-K431 HydrophobicContact CB-CG 3.95Å
426	P	87.3	Confident	86	Confident	31 Å²	31	33.4 Å²	33.4	20%	0.201	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-56.5	153.5	171.1	-25	34.6	0	0	0	113	G428 V429 V735 L736	P426-G428 PolarHBondContact O-N 2.87Å; P426-V429 HydrophobicContact CB-CB 4.5Å; P426-V429 HydrophobicContact CB-CG2 4.33Å; P426-V429 PolarHBondContact O-N 3.15Å; P426-V429 VanDerWaalsContact O-N 3.13Å; P426-V735 HydrophobicContact CG-CG1 4.18Å; P426-L736 WeakPolarHBondContact CD-O 3.41Å; P426-L736 WeakPolarHBondContact CG-O 3.32Å
427	P	84.3	Confident	86.9	Confident	115 Å²	115	33.1 Å²	33.1	75%	0.747	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.2	136	172.3	-22	32.7	0	0	0	111.8	V429	P427-V429 VanDerWaalsContact C-N 3.29Å
428	G	84.6	Confident	87.5	Confident	35 Å²	35	31.7 Å²	31.7	36%	0.361	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.2	-3.7	-177.4	0	0	0	0	0	115	P371 P426	P371-G428 WeakPolarHBondContact O-CA 3.23Å; P426-G428 PolarHBondContact O-N 2.87Å
429	V	90.2	Very high	87.8	Confident	23 Å²	23	30.6 Å²	30.6	14%	0.139	18%	0.177	C	C	.	.			trans	-121.7	140.6	-178.3	-175	0	0	0	0	109.9	R403 I405 A425 P426 P427 L738	R403-V429 WeakPolarHBondContact O-CA 3.42Å; I405-V429 HydrophobicContact CD1-CG1 3.9Å; I405-V429 HydrophobicContact CG1-CG1 3.71Å; A425-V429 WeakPolarHBondContact CB-O 3.48Å; P426-V429 HydrophobicContact CB-CB 4.5Å; P426-V429 HydrophobicContact CB-CG2 4.33Å; P426-V429 PolarHBondContact O-N 3.15Å; P426-V429 VanDerWaalsContact O-N 3.13Å; P427-V429 VanDerWaalsContact C-N 3.29Å; V429-L738 HydrophobicContact CG1-CD2 3.81Å; V429-L738 HydrophobicContact CG2-CD2 3.95Å
430	R	92.5	Very high	88.1	Confident	6 Å²	6	27 Å²	27	2%	0.023	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	155.1	178.2	-65.6	173.1	178	139.3	0.1	111	D366 Y369 P370 E373 G375 R403 W404 I405	D366-R430 IonicContact OD1-NH1 3.73Å; D366-R430 PolarHBondContact OD1-NH1 3.27Å; Y369-R430 PolarHBondContact O-NH2 2.78Å; P370-R430 PolarHBondContact O-NH2 3.28Å; E373-R430 PolarHBondContact O-NE 3.19Å; E373-R430 PolarHBondContact O-NH2 3.39Å; G375-R430 VanDerWaalsContact O-CD 3.3Å; G375-R430 WeakPolarHBondContact O-CD 3.46Å; G375-R430 WeakPolarHBondContact O-CG 3.25Å; R403-R430 PolarHBondContact O-N 2.9Å; W404-R430 CarbonylContact C-O 3.59Å; W404-R430 VanDerWaalsContact CA-O 3.3Å; W404-R430 WeakPolarHBondContact CA-O 3.41Å; W404-R430 HydrophobicContact CD2-CB 4.29Å; W404-R430 HydrophobicContact CE3-CB 3.65Å; W404-R430 HydrophobicContact CH2-CB 4.15Å; W404-R430 HydrophobicContact CZ3-CB 3.58Å; W404-R430 HydrophobicContact CZ3-CG 4.49Å; I405-R430 PolarHBondContact N-O 2.97Å
431	K	93.3	Very high	87.3	Confident	5 Å²	5	25.1 Å²	25.1	2%	0.022	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	136.7	168.4	-58.6	-179.1	-68	-175.4	0	110.2	D376 L377 I405 L407 V421 D423 A425 I433 L736	D376-K431 HydrophobicContact CB-CB 4.14Å; D376-K431 VanDerWaalsContact CG-CE 3.46Å; D376-K431 PolarHBondContact OD1-N 3.04Å; D376-K431 WeakPolarHBondContact OD2-CE 3.45Å; D376-K431 IonicContact OD2-NZ 3.16Å; L377-K431 PolarHBondContact N-O 3.32Å; I405-K431 CarbonylContact O-C 3.6Å; I405-K431 WeakPolarHBondContact O-CA 3.38Å; L407-K431 HydrophobicContact CD1-CD 4.26Å; V421-K431 PolarHBondContact O-NZ 3.45Å; D423-K431 PolarHBondContact O-NZ 3.04Å; A425-K431 HydrophobicContact CB-CG 3.95Å; K431-I433 HydrophobicContact CB-CD1 4.31Å; K431-I433 HydrophobicContact CB-CG1 4.07Å; K431-L736 HydrophobicContact CD-CD1 3.83Å; K431-L736 HydrophobicContact CG-CD1 4.28Å
432	C	95.3	Very high	86.1	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	102	164.8	-180	0	0	0	0	107.8	W404 I405 V406 L407	W404-C432 HydrophobicContact CE3-CB 3.82Å; W404-C432 HydrophobicContact CZ3-CB 4.34Å; I405-C432 PolarHBondContact O-N 3.31Å; V406-C432 CarbonylContact C-O 3.53Å; V406-C432 WeakPolarHBondContact CA-O 3.33Å; V406-C432 HydrophobicContact CG2-CB 4.32Å; L407-C432 PolarHBondContact N-O 3.21Å
433	I	95.1	Very high	85.2	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	114.7	-175.7	-56.8	168.6	0	0	0	107.9	L377 L378 L379 L407 L409 V421 K431 I445	L377-I433 PolarHBondContact O-N 3.2Å; L378-I433 CarbonylContact C-O 3.57Å; L378-I433 WeakPolarHBondContact CA-O 3.43Å; L378-I433 HydrophobicContact CD1-CB 4Å; L378-I433 HydrophobicContact CD1-CG2 3.8Å; L379-I433 PolarHBondContact N-O 2.8Å; L407-I433 CarbonylContact O-C 3.59Å; L407-I433 WeakPolarHBondContact O-CA 3.32Å; L409-I433 HydrophobicContact CB-CG2 4.07Å; L409-I433 HydrophobicContact CD2-CG2 4.19Å; V421-I433 HydrophobicContact CB-CD1 4.29Å; V421-I433 HydrophobicContact CG1-CG2 4.24Å; K431-I433 HydrophobicContact CB-CD1 4.31Å; K431-I433 HydrophobicContact CB-CG1 4.07Å; I433-I445 HydrophobicContact CD1-CD1 3.94Å; I433-I445 HydrophobicContact CD1-CG2 3.71Å; I433-I445 HydrophobicContact CG2-CD1 4.19Å
434	I	95.7	Very high	84.5	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	112	-177.8	-49.2	176.2	0	0	0	107.8	L379 L381 I387 I390 Q391 V406 L407 P408 L409	L379-I434 HydrophobicContact CD2-CG2 4.16Å; L381-I434 HydrophobicContact CD1-CG2 3.51Å; L381-I434 HydrophobicContact CG-CG2 4.26Å; I387-I434 HydrophobicContact CB-CG2 4.26Å; I387-I434 HydrophobicContact CG1-CG2 3.96Å; I387-I434 HydrophobicContact CG2-CB 4.31Å; I387-I434 HydrophobicContact CG2-CG2 4.04Å; I390-I434 HydrophobicContact CG2-CD1 4.09Å; Q391-I434 HydrophobicContact CB-CD1 3.96Å; V406-I434 HydrophobicContact CG1-CD1 3.65Å; V406-I434 HydrophobicContact CG1-CG1 4.25Å; L407-I434 PolarHBondContact O-N 3.13Å; P408-I434 CarbonylContact C-O 3.58Å; P408-I434 WeakPolarHBondContact CA-O 3.48Å; L409-I434 PolarHBondContact N-O 2.91Å
435	S	93.8	Very high	84.4	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	156.7	-165	-162.5	0	0	0	0	114	L379 F380 L381 L409 I438	L379-S435 PolarHBondContact O-N 3.1Å; F380-S435 CarbonylContact C-O 3.57Å; F380-S435 WeakPolarHBondContact CA-O 3.32Å; L381-S435 PolarHBondContact N-O 3.3Å; L409-S435 WeakPolarHBondContact O-CA 3.2Å; L409-S435 PolarHBondContact O-OG 3.08Å; S435-I438 WeakPolarHBondContact OG-CG2 3.45Å
436	T	92.1	Very high	84.1	Confident	16 Å²	16	27.7 Å²	27.7	10%	0.098	17%	0.171	C	C	.	.			trans	-81.5	-166	163.1	67.2	0	0	0	0	111	F380 L381 I387 L409 H410 I438	F380-T436 WeakPolarHBondContact CD1-O 3.45Å; L381-T436 WeakPolarHBondContact O-CA 3.2Å; I387-T436 HydrophobicContact CD1-CG2 3.68Å; L409-T436 PolarHBondContact O-N 3.46Å; H410-T436 HydrophobicContact CB-CG2 4.08Å; T436-I438 PolarHBondContact O-N 3.15Å; T436-I438 PolarHBondContact OG1-N 3.46Å
437	N	87.6	Confident	84	Confident	66 Å²	66	27.5 Å²	27.5	35%	0.353	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-60.3	-4.2	171.4	64.6	-18.4	0	0	0	114.8	A439 E440 V457	N437-A439 PolarHBondContact O-N 3.12Å; N437-E440 HydrophobicContact CB-CB 4.47Å; N437-E440 WeakPolarHBondContact O-CB 3.39Å; N437-E440 PolarHBondContact O-N 2.9Å; N437-V457 HydrophobicContact CB-CG2 4.34Å
438	I	83.5	Confident	84.4	Confident	28 Å²	28	22.2 Å²	22.2	14%	0.144	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-58.3	-33.1	176	-169.2	170.3	0	0	0	112.9	L409 S435 T436 E440 V443	L409-I438 HydrophobicContact CD2-CG2 4.27Å; L409-I438 HydrophobicContact CG-CG2 3.89Å; L409-I438 WeakPolarHBondContact O-CG2 3.1Å; S435-I438 WeakPolarHBondContact OG-CG2 3.45Å; T436-I438 PolarHBondContact O-N 3.15Å; T436-I438 PolarHBondContact OG1-N 3.46Å; I438-E440 VanDerWaalsContact C-N 3.32Å; I438-V443 HydrophobicContact CG1-CG2 4.39Å
439	A	85.3	Confident	84.8	Confident	1 Å²	1	23 Å²	23	1%	0.008	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-82.9	-4.2	176.9	0	0	0	0	0	114	L378 F380 L409 N437 R487	L378-A439 HydrophobicContact CD1-CB 4Å; L378-A439 HydrophobicContact CD2-CB 4.06Å; F380-A439 HydrophobicContact CE1-CB 3.91Å; F380-A439 HydrophobicContact CZ-CB 4.13Å; L409-A439 HydrophobicContact CD2-CB 4.26Å; N437-A439 PolarHBondContact O-N 3.12Å; A439-R487 WeakPolarHBondContact O-CD 3.44Å; A439-R487 PolarHBondContact O-NE 3.33Å; A439-R487 PolarHBondContact O-NH1 3.18Å
440	E	82.8	Confident	85	Confident	17 Å²	17	22 Å²	22	8%	0.079	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-38.9	-172.1	-172.4	170.1	140.6	0	0	113.5	F380 N437 I438 S480 Q483 R484 R487	F380-E440 HydrophobicContact CE1-CB 4.2Å; N437-E440 HydrophobicContact CB-CB 4.47Å; N437-E440 WeakPolarHBondContact O-CB 3.39Å; N437-E440 PolarHBondContact O-N 2.9Å; I438-E440 VanDerWaalsContact C-N 3.32Å; E440-S480 VanDerWaalsContact OE1-CA 3.25Å; E440-S480 WeakPolarHBondContact OE1-CA 3.26Å; E440-S480 WeakPolarHBondContact OE1-CB 3.31Å; E440-S480 PolarHBondContact OE1-OG 3.29Å; E440-Q483 HydrophobicContact CG-CB 4.02Å; E440-Q483 PolarHBondContact OE1-OE1 2.89Å; E440-R484 HydrophobicContact CG-CG 4.1Å; E440-R484 IonicContact OE2-CZ 2.78Å; E440-R484 IonicContact OE2-NE 2.71Å; E440-R484 PolarHBondContact OE2-NE 3.23Å; E440-R484 IonicContact OE2-NH2 2.77Å; E440-R484 PolarHBondContact OE2-NH2 2.95Å; E440-R487 VanDerWaalsContact C-NH2 3.29Å; E440-R487 PolarHBondContact O-NE 3.23Å; E440-R487 PolarHBondContact O-NH2 2.89Å
441	T	66.9	Low	85.2	Confident	13 Å²	13	21.7 Å²	21.7	8%	0.08	12%	0.124	C	C	.	.	S	Bend	trans	-124.8	-72.6	-177.1	57.5	0	0	0	0	112.7	R209 E279 V443 R487	R209-T441 PolarHBondContact NH1-OG1 2.8Å; R209-T441 PolarHBondContact NH2-OG1 2.86Å; E279-T441 HydrophobicContact CG-CG2 4.38Å; E279-T441 WeakPolarHBondContact OE1-CB 3.46Å; E279-T441 PolarHBondContact OE1-OG1 3.44Å; T441-V443 PolarHBondContact O-N 3.18Å; T441-R487 PolarHBondContact O-NH1 2.73Å; T441-R487 PolarHBondContact O-NH2 3.01Å
442	S	58.5	Low	85.4	Confident	28 Å²	28	21.5 Å²	21.5	20%	0.196	12%	0.124	C	C	.	.	S	Bend	trans	-83.7	-1.9	-161.7	-39.6	0	0	0	0	116.9	R209	R209-S442 VanDerWaalsContact CD-OG 3.26Å; R209-S442 WeakPolarHBondContact CD-OG 3.21Å; R209-S442 PolarHBondContact NE-OG 3.47Å; R209-S442 PolarHBondContact NH1-OG 2.89Å; R209-S442 PolarHBondContact NH2-OG 2.53Å
443	V	66.1	Low	85.5	Confident	23 Å²	23	21.5 Å²	21.5	14%	0.139	12%	0.124	C	C	.	.			trans	-115.2	121.6	175.1	178.3	0	0	0	0	109.9	F422 I438 T441 I445 R487	F422-V443 HydrophobicContact CE1-CG1 3.51Å; F422-V443 HydrophobicContact CZ-CG1 3.43Å; F422-V443 VanDerWaalsContact CZ-CG1 3.43Å; I438-V443 HydrophobicContact CG1-CG2 4.39Å; T441-V443 PolarHBondContact O-N 3.18Å; V443-I445 HydrophobicContact CG1-CG1 3.96Å; V443-R487 PolarHBondContact O-NH1 3.17Å
444	T	70	Confident	85.5	Confident	78 Å²	78	22 Å²	22	48%	0.479	13%	0.127	S	C	.	.			trans	-104.1	104.5	178.8	62.6	0	0	0	0	109.9	R490	T444-R490 VanDerWaalsContact CB-NH1 3.33Å
445	I	81.2	Confident	85.4	Confident	13 Å²	13	22 Å²	22	7%	0.067	13%	0.127	C	C	.	.			trans	-94.5	114.1	176.9	-50.4	179.7	0	0	0	108.2	L409 V421 F422 I433 V443 V448	L409-I445 HydrophobicContact CD2-CD1 3.88Å; V421-I445 HydrophobicContact CB-CD1 4.3Å; V421-I445 HydrophobicContact CG2-CD1 3.99Å; V421-I445 HydrophobicContact CG2-CG1 4.3Å; F422-I445 HydrophobicContact CE1-CG1 4.46Å; I433-I445 HydrophobicContact CD1-CD1 3.94Å; I433-I445 HydrophobicContact CD1-CG2 3.71Å; I433-I445 HydrophobicContact CG2-CD1 4.19Å; V443-I445 HydrophobicContact CG1-CG1 3.96Å; I445-V448 HydrophobicContact CB-CG2 4.01Å; I445-V448 HydrophobicContact CG2-CG2 3.97Å
446	D	79.4	Confident	85.3	Confident	84 Å²	84	24.8 Å²	24.8	45%	0.449	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	142.6	175.4	-69.8	-17.1	0	0	0	110.3	R733	D446-R733 IonicContact OD2-CZ 3.64Å; D446-R733 IonicContact OD2-NH1 3.06Å; D446-R733 IonicContact OD2-NH2 3.73Å; D446-R733 PolarHBondContact OD2-NH2 2.97Å
447	G	85.9	Confident	85.3	Confident	26 Å²	26	24.6 Å²	24.6	27%	0.268	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.5	-6	172.4	0	0	0	0	0	115.6	D376 R449	D376-G447 PolarHBondContact N-O 3.11Å; G447-R449 PolarHBondContact O-N 2.87Å
448	V	91.8	Very high	85.4	Confident	4 Å²	4	24.3 Å²	24.3	2%	0.024	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	124.4	174.3	179.8	0	0	0	0	110.2	L378 I445 V451	L378-V448 HydrophobicContact CB-CG1 3.69Å; L378-V448 HydrophobicContact CB-CG2 4.23Å; L378-V448 HydrophobicContact CD2-CG1 4.47Å; I445-V448 HydrophobicContact CB-CG2 4.01Å; I445-V448 HydrophobicContact CG2-CG2 3.97Å; V448-V451 HydrophobicContact CG1-CG2 4.02Å
449	R	93.1	Very high	85.6	Confident	52 Å²	52	25 Å²	25	20%	0.196	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	-31.5	176.3	-178.5	174.3	176.7	162.5	-10.6	112.2	E373 D376 G447 A488 P493 G494 V495	E373-R449 IonicContact OE1-CZ 3.97Å; E373-R449 IonicContact OE1-NH1 2.94Å; E373-R449 PolarHBondContact OE1-NH1 3.34Å; E373-R449 IonicContact OE1-NH2 3.92Å; E373-R449 PolarHBondContact OE1-NH2 3.1Å; D376-R449 PolarHBondContact O-N 3.46Å; G447-R449 PolarHBondContact O-N 2.87Å; R449-A488 WeakPolarHBondContact O-CB 3.36Å; R449-P493 WeakPolarHBondContact CG-O 3.26Å; R449-P493 PolarHBondContact NE-O 3.2Å; R449-P493 VanDerWaalsContact NE-O 3.16Å; R449-G494 CarbonylContact O-C 3.58Å; R449-G494 WeakPolarHBondContact O-CA 3.39Å; R449-V495 PolarHBondContact O-N 3.5Å
450	F	95.9	Very high	85.6	Confident	2 Å²	2	28.3 Å²	28.3	1%	0.009	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	128.9	-179.7	-50.3	-68.7	0	0	0	108.5	I365 Y369 G375 D376 L377 L378 V495 Y497	I365-F450 HydrophobicContact CD1-CB 3.89Å; I365-F450 HydrophobicContact CD1-CD1 4.27Å; I365-F450 HydrophobicContact CD1-CD2 4.01Å; I365-F450 HydrophobicContact CD1-CG 3.78Å; I365-F450 HydrophobicContact CG1-CD1 4.3Å; I365-F450 HydrophobicContact CG1-CD2 4.45Å; I365-F450 HydrophobicContact CG1-CG 4.25Å; I365-F450 HydrophobicContact CG2-CD2 4.08Å; I365-F450 HydrophobicContact CG2-CE2 3.71Å; I365-F450 HydrophobicContact CG2-CZ 4Å; Y369-F450 HydrophobicContact CD1-CZ 4.32Å; Y369-F450 AromaticContact CD2-CE1 3.89Å; Y369-F450 HydrophobicContact CD2-CE1 3.89Å; Y369-F450 AromaticContact CD2-CZ 3.66Å; Y369-F450 HydrophobicContact CD2-CZ 3.66Å; Y369-F450 HydrophobicContact CE1-CE1 4.36Å; Y369-F450 HydrophobicContact CE1-CZ 4.38Å; Y369-F450 AromaticContact CE2-CE1 3.45Å; Y369-F450 HydrophobicContact CE2-CE1 3.45Å; Y369-F450 VanDerWaalsContact CE2-CE1 3.45Å; Y369-F450 AromaticContact CE2-CZ 3.73Å; Y369-F450 HydrophobicContact CE2-CZ 3.73Å; Y369-F450 HydrophobicContact CG-CE1 4.5Å; Y369-F450 AromaticContact CG-CZ 3.96Å; Y369-F450 HydrophobicContact CG-CZ 3.96Å; Y369-F450 AromaticContact CZ-CE1 3.71Å; G375-F450 WeakPolarHBondContact O-CE2 3.44Å; D376-F450 PolarHBondContact O-N 3.35Å; L377-F450 CarbonylContact C-O 3.56Å; L377-F450 WeakPolarHBondContact CA-O 3.47Å; L377-F450 HydrophobicContact CB-CB 4.36Å; L377-F450 HydrophobicContact CD1-CB 3.73Å; L378-F450 PolarHBondContact N-O 3.47Å; F450-V495 WeakPolarHBondContact CA-O 3.36Å; F450-V495 HydrophobicContact CD1-CB 4.21Å; F450-V495 HydrophobicContact CD1-CG2 4.42Å; F450-V495 HydrophobicContact CE1-CG2 4.43Å; F450-Y497 HydrophobicContact CD1-CE2 4.47Å
451	V	96.7	Very high	85.9	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	135.8	172.3	170	0	0	0	0	108.5	L378 F380 V448 R487 A488 V495 C496 Y497	L378-V451 HydrophobicContact CB-CG2 4.45Å; L378-V451 CarbonylContact O-C 3.51Å; L378-V451 VanDerWaalsContact O-CA 3.27Å; L378-V451 WeakPolarHBondContact O-CA 3.47Å; F380-V451 HydrophobicContact CD2-CG1 4.04Å; F380-V451 HydrophobicContact CE2-CG1 4Å; V448-V451 HydrophobicContact CG1-CG2 4.02Å; V451-R487 HydrophobicContact CG2-CB 3.94Å; V451-A488 HydrophobicContact CB-CB 4.28Å; V451-A488 HydrophobicContact CG2-CB 3.72Å; V451-V495 PolarHBondContact N-O 3.4Å; V451-C496 CarbonylContact O-C 3.58Å; V451-C496 WeakPolarHBondContact O-CA 3.28Å; V451-Y497 PolarHBondContact O-N 3.14Å
452	V	97.4	Very high	87	Confident	1 Å²	1	29.8 Å²	29.8	1%	0.006	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	120.9	169.2	175	0	0	0	0	107.6	Y358 I361 L377 L378 L379 F380 Y497 L499	Y358-V452 HydrophobicContact CD1-CG1 4.1Å; Y358-V452 HydrophobicContact CE1-CG1 4.28Å; I361-V452 HydrophobicContact CB-CG2 4.41Å; I361-V452 HydrophobicContact CD1-CG1 3.93Å; I361-V452 HydrophobicContact CD1-CG2 3.74Å; I361-V452 HydrophobicContact CG2-CG2 3.73Å; L377-V452 HydrophobicContact CD1-CB 4.47Å; L377-V452 HydrophobicContact CD1-CG2 3.65Å; L378-V452 PolarHBondContact O-N 3.14Å; L379-V452 WeakPolarHBondContact CA-O 3.47Å; L379-V452 HydrophobicContact CB-CB 4.3Å; L379-V452 HydrophobicContact CG-CB 3.97Å; L379-V452 HydrophobicContact CG-CG1 4.02Å; F380-V452 PolarHBondContact N-O 3.1Å; V452-Y497 CarbonylContact C-O 3.38Å; V452-Y497 WeakPolarHBondContact CA-O 3.44Å; V452-Y497 HydrophobicContact CG2-CD2 4.14Å; V452-L499 HydrophobicContact CG1-CD1 3.88Å; V452-L499 HydrophobicContact CG1-CG 4.13Å
453	D	96.6	Very high	88.4	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	111.4	-179.1	-176.8	17.8	0	0	0	110	G455 I476 R484 Y497 L499 Y500	D453-G455 PolarHBondContact O-N 3.36Å; D453-G455 PolarHBondContact OD1-N 2.87Å; D453-I476 VanDerWaalsContact OD2-CD1 3.3Å; D453-I476 WeakPolarHBondContact OD2-CD1 3.48Å; D453-R484 VanDerWaalsContact OD1-CD 3.28Å; D453-R484 WeakPolarHBondContact OD1-CD 3.46Å; D453-R484 IonicContact OD1-CZ 2.79Å; D453-R484 IonicContact OD1-NE 2.77Å; D453-R484 IonicContact OD1-NH1 2.68Å; D453-R484 PolarHBondContact OD1-NH1 2.75Å; D453-Y497 PolarHBondContact N-O 3.38Å; D453-L499 PolarHBondContact O-N 3.33Å; D453-Y500 HydrophobicContact CB-CE1 4.31Å; D453-Y500 WeakPolarHBondContact OD2-CE1 3.37Å; D453-Y500 PolarHBondContact OD2-OH 3.43Å
454	S	94.7	Very high	89.4	Confident	11 Å²	11	30 Å²	30	8%	0.077	16%	0.16	C	C	.	.			trans	-68.3	-16.9	174.1	60.4	0	0	0	0	113.4	F380 K456	F380-S454 WeakPolarHBondContact O-CB 3.1Å; F380-S454 PolarHBondContact O-N 3.27Å; F380-S454 PolarHBondContact O-OG 2.98Å; S454-K456 PolarHBondContact O-N 3.39Å; S454-K456 PolarHBondContact OG-N 2.9Å
455	G	94.1	Very high	90.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.174	C	C	.	.	S	Bend	trans	77.5	2.1	-175.9	0	0	0	0	0	114.2	D453 W475 I476	D453-G455 PolarHBondContact O-N 3.36Å; D453-G455 PolarHBondContact OD1-N 2.87Å; G455-W475 WeakPolarHBondContact O-CA 3.33Å; G455-W475 VanDerWaalsContact O-CE3 3.27Å; G455-I476 WeakPolarHBondContact O-CG1 3.49Å; G455-I476 PolarHBondContact O-N 3.38Å
456	K	92.7	Very high	90.3	Very high	58 Å²	58	34.5 Å²	34.5	25%	0.252	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	155.9	-174.9	-68.7	173.4	162.3	-151.6	0	112.2	S454 E473 F474 W475 R484	S454-K456 PolarHBondContact O-N 3.39Å; S454-K456 PolarHBondContact OG-N 2.9Å; K456-E473 HydrophobicContact CB-CG 4.21Å; K456-E473 HydrophobicContact CD-CG 4.4Å; K456-E473 WeakPolarHBondContact CD-OE2 3.36Å; K456-E473 WeakPolarHBondContact CE-OE2 3.25Å; K456-E473 HydrophobicContact CG-CG 4.46Å; K456-E473 IonicContact NZ-OE2 3.48Å; K456-E473 PolarHBondContact NZ-OE2 3.19Å; K456-F474 WeakPolarHBondContact CA-O 3.25Å; K456-W475 HydrophobicContact CG-CE3 4.26Å; K456-W475 HydrophobicContact CG-CZ3 4.25Å; K456-R484 PolarHBondContact O-NH1 2.8Å; K456-R484 PolarHBondContact O-NH2 2.79Å
457	V	91.9	Very high	90.6	Very high	11 Å²	11	32.7 Å²	32.7	7%	0.067	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	140.9	174.6	60.9	0	0	0	0	109.1	N437 E459 E473 F474 I476	N437-V457 HydrophobicContact CB-CG2 4.34Å; V457-E459 HydrophobicContact CB-CG 4.44Å; V457-E459 HydrophobicContact CG1-CG 3.93Å; V457-E459 HydrophobicContact CG2-CG 3.78Å; V457-E473 CarbonylContact O-C 3.45Å; V457-E473 WeakPolarHBondContact O-CA 3.41Å; V457-F474 PolarHBondContact N-O 3.2Å; V457-F474 PolarHBondContact O-N 3.38Å; V457-I476 HydrophobicContact CB-CG2 3.93Å; V457-I476 HydrophobicContact CG1-CG2 3.83Å
458	K	89.7	Confident	90.8	Very high	60 Å²	60	31.5 Å²	31.5	26%	0.261	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	127.8	165.6	-75.5	172.3	-175.7	167.5	0	109.5	S382 E386 L471 Q472 E473	S382-K458 VanDerWaalsContact O-CB 3.32Å; S382-K458 WeakPolarHBondContact O-CB 3.33Å; S382-K458 PolarHBondContact O-N 2.85Å; E386-K458 IonicContact OE1-NZ 3.44Å; E386-K458 PolarHBondContact OE1-NZ 3.15Å; E386-K458 IonicContact OE2-NZ 3.95Å; E386-K458 PolarHBondContact OE2-NZ 2.9Å; K458-L471 HydrophobicContact CB-CD1 3.97Å; K458-L471 HydrophobicContact CB-CG 4.34Å; K458-Q472 CarbonylContact C-O 3.59Å; K458-Q472 VanDerWaalsContact CA-O 3.29Å; K458-Q472 WeakPolarHBondContact CA-O 3.42Å; K458-E473 HydrophobicContact CG-CB 4.04Å; K458-E473 HydrophobicContact CG-CG 4.47Å
459	E	86.1	Confident	90.7	Very high	44 Å²	44	35.1 Å²	35.1	21%	0.206	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	150.5	-179.5	-58.1	-165.7	117.6	0	0	110.7	V457 Q472 F474 R518	V457-E459 HydrophobicContact CB-CG 4.44Å; V457-E459 HydrophobicContact CG1-CG 3.93Å; V457-E459 HydrophobicContact CG2-CG 3.78Å; E459-Q472 PolarHBondContact N-O 3.11Å; E459-Q472 PolarHBondContact O-N 3.43Å; E459-Q472 VanDerWaalsContact O-N 3.07Å; E459-F474 HydrophobicContact CB-CD2 4.22Å; E459-F474 HydrophobicContact CB-CE2 4.47Å; E459-R518 IonicContact OE1-CZ 3.78Å; E459-R518 IonicContact OE1-NH1 2.71Å; E459-R518 PolarHBondContact OE1-NH1 2.9Å; E459-R518 IonicContact OE2-NH1 3.13Å; E459-R518 PolarHBondContact OE2-NH1 3.23Å
460	M	85.8	Confident	90.5	Very high	70 Å²	70	35.6 Å²	35.6	35%	0.345	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	129.7	173.4	-65.2	-66.3	-80.2	0	0	108.8	Q469 R470 L471 L884	M460-Q469 HydrophobicContact CE-CB 3.6Å; M460-Q469 HydrophobicContact CE-CG 4.17Å; M460-R470 CarbonylContact C-O 3.59Å; M460-R470 WeakPolarHBondContact CA-O 3.18Å; M460-L471 HydrophobicContact CG-CD1 4.28Å; M460-L471 HydrophobicContact SD-CB 3.81Å; M460-L471 HydrophobicContact SD-CD1 3.68Å; M460-L471 HydrophobicContact SD-CG 4.31Å; M460-L884 HydrophobicContact CE-CD1 3.8Å; M460-L884 HydrophobicContact SD-CD1 4.35Å
461	S	89.3	Confident	90.2	Very high	26 Å²	26	38.4 Å²	38.4	18%	0.182	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	158.9	165.9	62.4	0	0	0	0	109.1	Q469 R470 R518	S461-Q469 CarbonylContact O-C 3.56Å; S461-Q469 WeakPolarHBondContact O-CA 3.37Å; S461-R470 PolarHBondContact N-O 3.19Å; S461-R470 PolarHBondContact O-N 3.05Å; S461-R470 WeakPolarHBondContact OG-CB 3.31Å; S461-R470 PolarHBondContact OG-O 3.32Å; S461-R518 CarbonylContact C-O 3.58Å; S461-R518 VanDerWaalsContact C-O 3.29Å; S461-R518 WeakPolarHBondContact CA-O 3.28Å
462	F	89.8	Confident	89.7	Confident	34 Å²	34	42.2 Å²	42.2	15%	0.149	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	130.3	-178.3	-179	-111.6	0	0	0	109	P464 K467 Q469 R518 A520	F462-P464 HydrophobicContact CD1-CG 4.14Å; F462-P464 HydrophobicContact CE1-CB 4.2Å; F462-P464 HydrophobicContact CE1-CG 4.26Å; F462-P464 WeakPolarHBondContact O-CD 3.34Å; F462-K467 HydrophobicContact CE2-CG 4.2Å; F462-K467 HydrophobicContact CZ-CG 3.88Å; F462-Q469 HydrophobicContact CD2-CG 4.33Å; F462-R518 WeakPolarHBondContact CB-O 3.33Å; F462-R518 PolarHBondContact N-O 3.05Å; F462-A520 HydrophobicContact CD1-CB 4.12Å; F462-A520 HydrophobicContact CD2-CB 4.05Å; F462-A520 HydrophobicContact CE1-CB 3.85Å; F462-A520 HydrophobicContact CE2-CB 3.79Å; F462-A520 HydrophobicContact CG-CB 4.21Å; F462-A520 HydrophobicContact CZ-CB 3.68Å
463	D	89.1	Confident	89.3	Confident	29 Å²	29	45.9 Å²	45.9	16%	0.155	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	108	168.3	-176.3	-14.5	0	0	0	108.9	K465 A466 K467 M468 R470	D463-K465 VanDerWaalsContact C-N 3.3Å; D463-K465 PolarHBondContact O-N 3.31Å; D463-K465 WeakPolarHBondContact OD1-CB 3.28Å; D463-K465 PolarHBondContact OD1-N 3.09Å; D463-A466 HydrophobicContact CB-CB 4.32Å; D463-A466 PolarHBondContact OD1-N 3.06Å; D463-K467 VanDerWaalsContact O-CA 3.27Å; D463-K467 WeakPolarHBondContact O-CA 3.46Å; D463-K467 PolarHBondContact O-N 3.38Å; D463-M468 HydrophobicContact CB-CB 4.49Å; D463-M468 PolarHBondContact N-O 3.27Å; D463-M468 PolarHBondContact O-N 2.83Å; D463-M468 VanDerWaalsContact O-N 3.11Å; D463-R470 IonicContact OD2-CZ 3.73Å; D463-R470 VanDerWaalsContact OD2-CZ 3.31Å; D463-R470 IonicContact OD2-NH1 3.72Å; D463-R470 PolarHBondContact OD2-NH1 2.91Å; D463-R470 IonicContact OD2-NH2 3.91Å; D463-R470 PolarHBondContact OD2-NH2 3.46Å
464	P	86.2	Confident	89	Confident	27 Å²	27	50 Å²	50	18%	0.175	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-34.8	179.1	-22	33.9	0	0	0	113.1	F462 K467 S549 T552	F462-P464 HydrophobicContact CD1-CG 4.14Å; F462-P464 HydrophobicContact CE1-CB 4.2Å; F462-P464 HydrophobicContact CE1-CG 4.26Å; F462-P464 WeakPolarHBondContact O-CD 3.34Å; P464-K467 PolarHBondContact O-N 2.91Å; P464-S549 WeakPolarHBondContact CG-OG 3.48Å; P464-T552 HydrophobicContact CB-CG2 4.21Å; P464-T552 WeakPolarHBondContact O-CG2 3.31Å
465	K	85.4	Confident	89	Confident	175 Å²	175	55.9 Å²	55.9	76%	0.761	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-49	-175.7	-66.1	-176.4	178.6	-177.7	0	111.2	D463 K467 N836	D463-K465 VanDerWaalsContact C-N 3.3Å; D463-K465 PolarHBondContact O-N 3.31Å; D463-K465 WeakPolarHBondContact OD1-CB 3.28Å; D463-K465 PolarHBondContact OD1-N 3.09Å; K465-K467 PolarHBondContact O-N 3.36Å; K465-N836 WeakPolarHBondContact O-CB 3.49Å; K465-N836 PolarHBondContact O-ND2 3.38Å
466	A	85	Confident	89	Confident	10 Å²	10	56.2 Å²	56.2	8%	0.083	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-7.9	177.7	0	0	0	0	0	113.1	D463 M468	D463-A466 HydrophobicContact CB-CB 4.32Å; D463-A466 PolarHBondContact OD1-N 3.06Å; A466-M468 HydrophobicContact CB-CB 3.81Å; A466-M468 HydrophobicContact CB-CE 4.23Å; A466-M468 PolarHBondContact O-N 2.98Å
467	K	85.4	Confident	89	Confident	47 Å²	47	53.8 Å²	53.8	20%	0.204	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	44.6	-168.6	-153.9	-169.3	-178.3	-175	0	112.2	F462 D463 P464 K465 D522 Y556	F462-K467 HydrophobicContact CE2-CG 4.2Å; F462-K467 HydrophobicContact CZ-CG 3.88Å; D463-K467 VanDerWaalsContact O-CA 3.27Å; D463-K467 WeakPolarHBondContact O-CA 3.46Å; D463-K467 PolarHBondContact O-N 3.38Å; P464-K467 PolarHBondContact O-N 2.91Å; K465-K467 PolarHBondContact O-N 3.36Å; K467-D522 WeakPolarHBondContact CE-OD2 3.36Å; K467-D522 IonicContact NZ-OD2 3.21Å; K467-D522 PolarHBondContact NZ-OD2 3.45Å; K467-D522 VanDerWaalsContact NZ-OD2 3.13Å; K467-Y556 HydrophobicContact CD-CD2 4.3Å; K467-Y556 HydrophobicContact CD-CE2 4.49Å; K467-Y556 VanDerWaalsContact NZ-CD1 3.34Å; K467-Y556 VanDerWaalsContact NZ-CG 3.35Å; K467-Y556 PolarHBondContact NZ-OH 2.86Å
468	M	89.4	Confident	89.1	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	134.9	-167.1	-175.1	167	62.7	0	0	110.6	D463 A466 R470 L883 E885 P889	D463-M468 HydrophobicContact CB-CB 4.49Å; D463-M468 PolarHBondContact N-O 3.27Å; D463-M468 PolarHBondContact O-N 2.83Å; D463-M468 VanDerWaalsContact O-N 3.11Å; A466-M468 HydrophobicContact CB-CB 3.81Å; A466-M468 HydrophobicContact CB-CE 4.23Å; A466-M468 PolarHBondContact O-N 2.98Å; M468-R470 HydrophobicContact CE-CG 4.37Å; M468-L883 HydrophobicContact CB-CD2 3.91Å; M468-L883 HydrophobicContact CB-CG 4.25Å; M468-L883 HydrophobicContact CG-CB 4.22Å; M468-L883 HydrophobicContact CG-CD2 3.82Å; M468-L883 HydrophobicContact CG-CG 3.71Å; M468-L883 HydrophobicContact SD-CD2 3.62Å; M468-L883 HydrophobicContact SD-CG 3.72Å; M468-E885 HydrophobicContact CE-CB 4.03Å; M468-E885 HydrophobicContact CE-CG 4.44Å; M468-E885 WeakPolarHBondContact CE-OE2 3.3Å; M468-E885 HydrophobicContact CG-CB 4.29Å; M468-E885 HydrophobicContact SD-CB 3.84Å; M468-P889 HydrophobicContact SD-CB 3.88Å
469	Q	89.8	Confident	89	Confident	81 Å²	81	55.1 Å²	55.1	38%	0.379	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	136.1	169.6	-64.8	-178.1	-7.2	0	0	109.2	M460 S461 F462 L883 L884 E885	M460-Q469 HydrophobicContact CE-CB 3.6Å; M460-Q469 HydrophobicContact CE-CG 4.17Å; S461-Q469 CarbonylContact O-C 3.56Å; S461-Q469 WeakPolarHBondContact O-CA 3.37Å; F462-Q469 HydrophobicContact CD2-CG 4.33Å; Q469-L883 PolarHBondContact N-O 2.81Å; Q469-L884 HydrophobicContact CB-CD1 4.17Å; Q469-L884 CarbonylContact O-C 3.41Å; Q469-L884 WeakPolarHBondContact O-CA 3.49Å; Q469-E885 PolarHBondContact O-N 3.48Å
470	R	90.2	Very high	89.2	Confident	62 Å²	62	53.7 Å²	53.7	23%	0.234	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	123.6	175.5	-49.1	-178.2	159.3	128.6	10	110.1	M460 S461 D463 M468 Q472 E885	M460-R470 CarbonylContact C-O 3.59Å; M460-R470 WeakPolarHBondContact CA-O 3.18Å; S461-R470 PolarHBondContact N-O 3.19Å; S461-R470 PolarHBondContact O-N 3.05Å; S461-R470 WeakPolarHBondContact OG-CB 3.31Å; S461-R470 PolarHBondContact OG-O 3.32Å; D463-R470 IonicContact OD2-CZ 3.73Å; D463-R470 VanDerWaalsContact OD2-CZ 3.31Å; D463-R470 IonicContact OD2-NH1 3.72Å; D463-R470 PolarHBondContact OD2-NH1 2.91Å; D463-R470 IonicContact OD2-NH2 3.91Å; D463-R470 PolarHBondContact OD2-NH2 3.46Å; M468-R470 HydrophobicContact CE-CG 4.37Å; R470-Q472 HydrophobicContact CB-CG 4.18Å; R470-E885 CarbonylContact C-O 3.59Å; R470-E885 WeakPolarHBondContact CA-O 3.42Å; R470-E885 HydrophobicContact CB-CB 4.33Å; R470-E885 WeakPolarHBondContact CD-OE2 3.27Å; R470-E885 HydrophobicContact CG-CB 4.04Å; R470-E885 WeakPolarHBondContact CG-OE2 3.34Å; R470-E885 IonicContact CZ-OE2 2.99Å; R470-E885 IonicContact NE-OE2 3.9Å; R470-E885 PolarHBondContact NE-OE2 3.14Å; R470-E885 IonicContact NH2-OE2 3.63Å
471	L	88.8	Confident	89.5	Confident	61 Å²	61	50.4 Å²	50.4	32%	0.319	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	106.9	170.5	-177.1	67.7	0	0	0	108.6	K458 M460 E885 T886	K458-L471 HydrophobicContact CB-CD1 3.97Å; K458-L471 HydrophobicContact CB-CG 4.34Å; M460-L471 HydrophobicContact CG-CD1 4.28Å; M460-L471 HydrophobicContact SD-CB 3.81Å; M460-L471 HydrophobicContact SD-CD1 3.68Å; M460-L471 HydrophobicContact SD-CG 4.31Å; L471-E885 PolarHBondContact N-O 2.87Å; L471-T886 HydrophobicContact CB-CG2 4.14Å; L471-T886 HydrophobicContact CD2-CG2 4.3Å
472	Q	87.2	Confident	89.5	Confident	79 Å²	79	52.2 Å²	52.2	37%	0.369	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	149.8	-176.1	-69.6	-177.5	-28.4	0	0	111	K458 E459 R470 F474	K458-Q472 CarbonylContact C-O 3.59Å; K458-Q472 VanDerWaalsContact CA-O 3.29Å; K458-Q472 WeakPolarHBondContact CA-O 3.42Å; E459-Q472 PolarHBondContact N-O 3.11Å; E459-Q472 PolarHBondContact O-N 3.43Å; E459-Q472 VanDerWaalsContact O-N 3.07Å; R470-Q472 HydrophobicContact CB-CG 4.18Å; Q472-F474 HydrophobicContact CB-CD2 4.38Å; Q472-F474 HydrophobicContact CB-CE2 3.54Å; Q472-F474 HydrophobicContact CB-CZ 3.67Å; Q472-F474 WeakPolarHBondContact O-CD2 3.47Å
473	E	88.8	Confident	89.4	Confident	78 Å²	78	52 Å²	52	36%	0.364	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	130.6	174.4	-175.2	175.9	-97.3	0	0	110.1	S382 K456 V457 K458	S382-E473 WeakPolarHBondContact CB-OE1 3.37Å; S382-E473 PolarHBondContact OG-OE1 3.36Å; K456-E473 HydrophobicContact CB-CG 4.21Å; K456-E473 HydrophobicContact CD-CG 4.4Å; K456-E473 WeakPolarHBondContact CD-OE2 3.36Å; K456-E473 WeakPolarHBondContact CE-OE2 3.25Å; K456-E473 HydrophobicContact CG-CG 4.46Å; K456-E473 IonicContact NZ-OE2 3.48Å; K456-E473 PolarHBondContact NZ-OE2 3.19Å; V457-E473 CarbonylContact O-C 3.45Å; V457-E473 WeakPolarHBondContact O-CA 3.41Å; K458-E473 HydrophobicContact CG-CB 4.04Å; K458-E473 HydrophobicContact CG-CG 4.47Å
474	F	90.8	Very high	89.5	Confident	86 Å²	86	50.7 Å²	50.7	38%	0.377	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	158.8	177.6	-60.9	-82.1	0	0	0	110.7	K456 V457 E459 Q472	K456-F474 WeakPolarHBondContact CA-O 3.25Å; V457-F474 PolarHBondContact N-O 3.2Å; V457-F474 PolarHBondContact O-N 3.38Å; E459-F474 HydrophobicContact CB-CD2 4.22Å; E459-F474 HydrophobicContact CB-CE2 4.47Å; Q472-F474 HydrophobicContact CB-CD2 4.38Å; Q472-F474 HydrophobicContact CB-CE2 3.54Å; Q472-F474 HydrophobicContact CB-CZ 3.67Å; Q472-F474 WeakPolarHBondContact O-CD2 3.47Å
475	W	93.9	Very high	89.8	Confident	136 Å²	136	51.8 Å²	51.8	52%	0.515	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	143.7	163.2	-68.8	104.6	0	0	0	110	G455 K456 F508	G455-W475 WeakPolarHBondContact O-CA 3.33Å; G455-W475 VanDerWaalsContact O-CE3 3.27Å; K456-W475 HydrophobicContact CG-CE3 4.26Å; K456-W475 HydrophobicContact CG-CZ3 4.25Å; W475-F508 HydrophobicContact CB-CD1 4.07Å; W475-F508 HydrophobicContact CB-CE1 3.85Å; W475-F508 AromaticContact CD2-CE1 3.75Å; W475-F508 HydrophobicContact CD2-CE1 3.75Å; W475-F508 HydrophobicContact CD2-CZ 4.19Å; W475-F508 AromaticContact CE3-CE1 3.49Å; W475-F508 HydrophobicContact CE3-CE1 3.49Å; W475-F508 VanDerWaalsContact CE3-CE1 3.49Å; W475-F508 AromaticContact CE3-CZ 3.44Å; W475-F508 HydrophobicContact CE3-CZ 3.44Å; W475-F508 VanDerWaalsContact CE3-CZ 3.44Å; W475-F508 HydrophobicContact CG-CD1 4.49Å; W475-F508 AromaticContact CG-CE1 3.92Å; W475-F508 HydrophobicContact CG-CE1 3.92Å; W475-F508 HydrophobicContact CZ3-CE1 4.28Å; W475-F508 HydrophobicContact CZ3-CZ 4.01Å
476	I	94.4	Very high	89.9	Confident	6 Å²	6	43.7 Å²	43.7	3%	0.031	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-72.2	162.6	176.5	65.7	178.3	0	0	0	111.7	D453 G455 V457 F508	D453-I476 VanDerWaalsContact OD2-CD1 3.3Å; D453-I476 WeakPolarHBondContact OD2-CD1 3.48Å; G455-I476 WeakPolarHBondContact O-CG1 3.49Å; G455-I476 PolarHBondContact O-N 3.38Å; V457-I476 HydrophobicContact CB-CG2 3.93Å; V457-I476 HydrophobicContact CG1-CG2 3.83Å; I476-F508 HydrophobicContact CG1-CD2 4.21Å; I476-F508 HydrophobicContact CG1-CE2 3.98Å; I476-F508 WeakPolarHBondContact O-CB 3.28Å; I476-F508 WeakPolarHBondContact O-CD2 3.4Å; I476-F508 VanDerWaalsContact O-CG 3.29Å; I476-F508 WeakPolarHBondContact O-CG 3.5Å
477	S	93.1	Very high	90.1	Very high	7 Å²	7	43.7 Å²	43.7	5%	0.049	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-76.4	161.2	168.8	71.9	0	0	0	0	111.9	A479 S480 S481 A509 P512	S477-A479 VanDerWaalsContact C-N 3.27Å; S477-A479 PolarHBondContact O-N 2.92Å; S477-S480 PolarHBondContact O-N 3.06Å; S477-S480 WeakPolarHBondContact OG-CB 3.07Å; S477-S480 PolarHBondContact OG-N 3.25Å; S477-S480 PolarHBondContact OG-OG 3.03Å; S477-S481 PolarHBondContact O-N 2.78Å; S477-A509 CarbonylContact C-O 3.55Å; S477-A509 VanDerWaalsContact CA-O 3.24Å; S477-A509 WeakPolarHBondContact CA-O 3.43Å; S477-A509 WeakPolarHBondContact CB-O 3.46Å; S477-P512 WeakPolarHBondContact OG-CD 3.18Å
478	R	92.8	Very high	90.3	Very high	83 Å²	83	41.5 Å²	41.5	31%	0.313	19%	0.187	S	C	.	.	H	α-helix	trans	-58.3	-41.2	169.3	-63.9	-171.3	-170.9	172.3	6.3	111.3	S480 S481 E482 Y505 N506 F508 A509	R478-S480 VanDerWaalsContact C-N 3.35Å; R478-S480 PolarHBondContact O-N 2.92Å; R478-S481 WeakPolarHBondContact O-CB 3.41Å; R478-S481 PolarHBondContact O-N 3.17Å; R478-E482 WeakPolarHBondContact O-CG 3.47Å; R478-E482 PolarHBondContact O-N 3.42Å; R478-Y505 HydrophobicContact CB-CE2 4.28Å; R478-Y505 HydrophobicContact CG-CE2 4.24Å; R478-Y505 WeakPolarHBondContact CG-O 3.41Å; R478-Y505 PolarHBondContact NE-O 3.46Å; R478-Y505 VanDerWaalsContact NE-O 3.09Å; R478-N506 VanDerWaalsContact NH2-C 3.35Å; R478-N506 PolarHBondContact NH2-O 3.37Å; R478-F508 HydrophobicContact CG-CB 3.88Å; R478-F508 PolarHBondContact NE-O 3.07Å; R478-A509 PolarHBondContact N-O 3.44Å
479	A	88.3	Confident	90.2	Very high	16 Å²	16	41.5 Å²	41.5	13%	0.132	19%	0.187	C	C	.	.	H	α-helix	trans	-57.3	-45.8	175.5	0	0	0	0	0	112.2	S477 E482 Q483 S510 Y511	S477-A479 VanDerWaalsContact C-N 3.27Å; S477-A479 PolarHBondContact O-N 2.92Å; A479-E482 PolarHBondContact O-N 3.06Å; A479-Q483 WeakPolarHBondContact O-CG 3.43Å; A479-Q483 PolarHBondContact O-N 3.28Å; A479-S510 WeakPolarHBondContact CB-O 3.45Å; A479-S510 PolarHBondContact N-O 3.11Å; A479-S510 VanDerWaalsContact N-O 3.12Å; A479-Y511 HydrophobicContact CB-CD1 3.82Å; A479-Y511 HydrophobicContact CB-CE1 4.22Å
480	S	89.9	Confident	89.7	Confident	15 Å²	15	40.6 Å²	40.6	11%	0.105	18%	0.181	C	C	.	.	H	α-helix	trans	-62.8	-43.5	175.5	-71.6	0	0	0	0	112.2	E440 S477 R478 E482 Q483 R484	E440-S480 VanDerWaalsContact OE1-CA 3.25Å; E440-S480 WeakPolarHBondContact OE1-CA 3.26Å; E440-S480 WeakPolarHBondContact OE1-CB 3.31Å; E440-S480 PolarHBondContact OE1-OG 3.29Å; S477-S480 PolarHBondContact O-N 3.06Å; S477-S480 WeakPolarHBondContact OG-CB 3.07Å; S477-S480 PolarHBondContact OG-N 3.25Å; S477-S480 PolarHBondContact OG-OG 3.03Å; R478-S480 VanDerWaalsContact C-N 3.35Å; R478-S480 PolarHBondContact O-N 2.92Å; S480-E482 VanDerWaalsContact C-N 3.32Å; S480-E482 PolarHBondContact O-N 3.42Å; S480-Q483 PolarHBondContact O-N 2.88Å; S480-R484 WeakPolarHBondContact O-CG 3.36Å; S480-R484 PolarHBondContact O-N 3.13Å
481	S	92.5	Very high	89.1	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-59	-41.4	175.3	179.8	0	0	0	0	112.3	S477 R478 R484 K485 R498 Y500	S477-S481 PolarHBondContact O-N 2.78Å; R478-S481 WeakPolarHBondContact O-CB 3.41Å; R478-S481 PolarHBondContact O-N 3.17Å; S481-R484 PolarHBondContact O-N 2.96Å; S481-K485 WeakPolarHBondContact O-CB 3.45Å; S481-K485 PolarHBondContact O-N 3.32Å; S481-R498 PolarHBondContact OG-NE 3.22Å; S481-R498 PolarHBondContact OG-NH2 2.87Å; S481-Y500 PolarHBondContact OG-OH 3.13Å
482	E	89.4	Confident	88.9	Confident	64 Å²	64	39.3 Å²	39.3	30%	0.299	19%	0.185	S	C	.	.	H	α-helix	trans	-68.2	-36.5	175.7	-68.4	-50.8	126.7	0	0	112.6	R478 A479 S480 K485 G486 R498 Y505	R478-E482 WeakPolarHBondContact O-CG 3.47Å; R478-E482 PolarHBondContact O-N 3.42Å; A479-E482 PolarHBondContact O-N 3.06Å; S480-E482 VanDerWaalsContact C-N 3.32Å; S480-E482 PolarHBondContact O-N 3.42Å; E482-K485 WeakPolarHBondContact O-CB 3.38Å; E482-K485 PolarHBondContact O-N 2.81Å; E482-K485 VanDerWaalsContact OE2-CE 3.23Å; E482-K485 WeakPolarHBondContact OE2-CE 3.38Å; E482-K485 IonicContact OE2-NZ 3.56Å; E482-K485 PolarHBondContact OE2-NZ 2.92Å; E482-G486 PolarHBondContact O-N 3.01Å; E482-R498 IonicContact OE1-CZ 2.62Å; E482-R498 IonicContact OE1-NH1 3.13Å; E482-R498 IonicContact OE1-NH2 3.31Å; E482-R498 PolarHBondContact OE1-NH2 3.07Å; E482-Y505 PolarHBondContact OE1-OH 3.3Å
483	Q	87.2	Confident	89	Confident	30 Å²	30	39 Å²	39	14%	0.14	19%	0.19	C	C	.	.	H	α-helix	trans	-65.4	-43.2	174.3	-72.5	-175.4	2.3	0	0	112.2	H278 E440 A479 S480 G486 R487	H278-Q483 PolarHBondContact CD2-NE2 3.38Å; H278-Q483 VanDerWaalsContact CD2-NE2 3.33Å; H278-Q483 PolarHBondContact NE2-NE2 2.88Å; E440-Q483 HydrophobicContact CG-CB 4.02Å; E440-Q483 PolarHBondContact OE1-OE1 2.89Å; A479-Q483 WeakPolarHBondContact O-CG 3.43Å; A479-Q483 PolarHBondContact O-N 3.28Å; S480-Q483 PolarHBondContact O-N 2.88Å; Q483-G486 PolarHBondContact O-N 2.85Å; Q483-R487 PolarHBondContact O-N 2.9Å
484	R	91.6	Very high	89.3	Confident	1 Å²	1	35.5 Å²	35.5	0%	0.004	18%	0.175	C	C	.	.	H	α-helix	trans	-60.8	-47.8	174	-68.7	178.1	-175.7	-165.2	-1.9	110.8	F380 E440 D453 K456 S480 S481 G486 R487	F380-R484 HydrophobicContact CD1-CG 4.24Å; F380-R484 HydrophobicContact CD2-CB 3.99Å; F380-R484 HydrophobicContact CD2-CG 3.78Å; F380-R484 HydrophobicContact CE1-CG 4.13Å; F380-R484 HydrophobicContact CE2-CB 3.75Å; F380-R484 HydrophobicContact CE2-CG 3.66Å; F380-R484 HydrophobicContact CG-CG 4.08Å; F380-R484 HydrophobicContact CZ-CB 4.31Å; F380-R484 HydrophobicContact CZ-CG 3.84Å; E440-R484 HydrophobicContact CG-CG 4.1Å; E440-R484 IonicContact OE2-CZ 2.78Å; E440-R484 IonicContact OE2-NE 2.71Å; E440-R484 PolarHBondContact OE2-NE 3.23Å; E440-R484 IonicContact OE2-NH2 2.77Å; E440-R484 PolarHBondContact OE2-NH2 2.95Å; D453-R484 VanDerWaalsContact OD1-CD 3.28Å; D453-R484 WeakPolarHBondContact OD1-CD 3.46Å; D453-R484 IonicContact OD1-CZ 2.79Å; D453-R484 IonicContact OD1-NE 2.77Å; D453-R484 IonicContact OD1-NH1 2.68Å; D453-R484 PolarHBondContact OD1-NH1 2.75Å; K456-R484 PolarHBondContact O-NH1 2.8Å; K456-R484 PolarHBondContact O-NH2 2.79Å; S480-R484 WeakPolarHBondContact O-CG 3.36Å; S480-R484 PolarHBondContact O-N 3.13Å; S481-R484 PolarHBondContact O-N 2.96Å; R484-G486 VanDerWaalsContact C-N 3.29Å; R484-G486 PolarHBondContact O-N 3.15Å; R484-R487 VanDerWaalsContact O-CB 3.31Å; R484-R487 WeakPolarHBondContact O-CB 3.38Å; R484-R487 WeakPolarHBondContact O-CG 3.37Å; R484-R487 PolarHBondContact O-N 2.71Å; R484-R487 VanDerWaalsContact O-N 3.09Å
485	K	91.6	Very high	89.5	Confident	51 Å²	51	31.7 Å²	31.7	22%	0.222	16%	0.159	C	C	.	.	H	α-helix	trans	-52.3	-48.5	173.6	-173.7	-168.7	85.6	-171.7	0	111.1	I334 V336 S481 E482 R487 A488 C496	I334-K485 HydrophobicContact CB-CG 4.35Å; I334-K485 HydrophobicContact CD1-CG 4.22Å; I334-K485 VanDerWaalsContact CD1-O 3.22Å; I334-K485 WeakPolarHBondContact CD1-O 3.21Å; I334-K485 HydrophobicContact CG2-CG 3.88Å; V336-K485 HydrophobicContact CG2-CD 3.55Å; V336-K485 HydrophobicContact CG2-CG 4.2Å; S481-K485 WeakPolarHBondContact O-CB 3.45Å; S481-K485 PolarHBondContact O-N 3.32Å; E482-K485 WeakPolarHBondContact O-CB 3.38Å; E482-K485 PolarHBondContact O-N 2.81Å; E482-K485 VanDerWaalsContact OE2-CE 3.23Å; E482-K485 WeakPolarHBondContact OE2-CE 3.38Å; E482-K485 IonicContact OE2-NZ 3.56Å; E482-K485 PolarHBondContact OE2-NZ 2.92Å; K485-R487 PolarHBondContact O-N 2.7Å; K485-A488 PolarHBondContact O-N 2.94Å; K485-A488 VanDerWaalsContact O-N 3.12Å; K485-C496 HydrophobicContact CB-CB 4.39Å; K485-C496 HydrophobicContact CG-CB 3.87Å
486	G	88.1	Confident	89.6	Confident	4 Å²	4	25.2 Å²	25.2	4%	0.041	13%	0.134	C	C	.	.	H	α-helix	trans	-57.6	-18.7	-178.8	0	0	0	0	0	115.1	E482 Q483 R484 A488 G489	E482-G486 PolarHBondContact O-N 3.01Å; Q483-G486 PolarHBondContact O-N 2.85Å; R484-G486 VanDerWaalsContact C-N 3.29Å; R484-G486 PolarHBondContact O-N 3.15Å; G486-A488 VanDerWaalsContact C-N 3.31Å; G486-A488 PolarHBondContact O-N 2.91Å; G486-G489 PolarHBondContact O-N 2.87Å
487	R	88.5	Confident	89.8	Confident	11 Å²	11	25 Å²	25	4%	0.042	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-67.5	-29.1	177	-59.5	-72	154.7	175.1	-13	112.9	L378 F380 A439 E440 T441 V443 V451 Q483 R484 K485 R490	L378-R487 HydrophobicContact CD2-CB 4.12Å; L378-R487 HydrophobicContact CD2-CG 4.29Å; F380-R487 HydrophobicContact CZ-CG 4.38Å; A439-R487 WeakPolarHBondContact O-CD 3.44Å; A439-R487 PolarHBondContact O-NE 3.33Å; A439-R487 PolarHBondContact O-NH1 3.18Å; E440-R487 VanDerWaalsContact C-NH2 3.29Å; E440-R487 PolarHBondContact O-NE 3.23Å; E440-R487 PolarHBondContact O-NH2 2.89Å; T441-R487 PolarHBondContact O-NH1 2.73Å; T441-R487 PolarHBondContact O-NH2 3.01Å; V443-R487 PolarHBondContact O-NH1 3.17Å; V451-R487 HydrophobicContact CG2-CB 3.94Å; Q483-R487 PolarHBondContact O-N 2.9Å; R484-R487 VanDerWaalsContact O-CB 3.31Å; R484-R487 WeakPolarHBondContact O-CB 3.38Å; R484-R487 WeakPolarHBondContact O-CG 3.37Å; R484-R487 PolarHBondContact O-N 2.71Å; R484-R487 VanDerWaalsContact O-N 3.09Å; K485-R487 PolarHBondContact O-N 2.7Å; R487-R490 VanDerWaalsContact NH1-NH2 3.13Å; R487-R490 VanDerWaalsContact NH2-NH2 3.16Å
488	A	90.9	Very high	90	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-76	-22.3	178.3	0	0	0	0	0	113.9	I334 R449 V451 K485 G486	I334-A488 HydrophobicContact CG2-CB 4.06Å; R449-A488 WeakPolarHBondContact O-CB 3.36Å; V451-A488 HydrophobicContact CB-CB 4.28Å; V451-A488 HydrophobicContact CG2-CB 3.72Å; K485-A488 PolarHBondContact O-N 2.94Å; K485-A488 VanDerWaalsContact O-N 3.12Å; G486-A488 VanDerWaalsContact C-N 3.31Å; G486-A488 PolarHBondContact O-N 2.91Å
489	G	85.9	Confident	90.1	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-99.8	16.5	-169.9	0	0	0	0	0	115.5	F332 G486	F332-G489 WeakPolarHBondContact CD2-O 3.5Å; F332-G489 PolarHBondContact N-O 3.07Å; G486-G489 PolarHBondContact O-N 2.87Å
490	R	79.8	Confident	90.4	Very high	62 Å²	62	20.8 Å²	20.8	23%	0.234	11%	0.114	C	C	.	.	S	Bend	trans	-85.1	-45.1	-171.6	-69.2	-175.1	168.3	-165.1	-2.2	114.1	T183 L331 T444 R487	T183-R490 PolarHBondContact OG1-NH2 2.98Å; L331-R490 HydrophobicContact CD2-CG 4.34Å; T444-R490 VanDerWaalsContact CB-NH1 3.33Å; R487-R490 VanDerWaalsContact NH1-NH2 3.13Å; R487-R490 VanDerWaalsContact NH2-NH2 3.16Å
491	T	77.9	Confident	90.6	Very high	80 Å²	80	21.1 Å²	21.1	49%	0.491	12%	0.116	S	C	.	.	S	Bend	trans	-99.3	-19.1	-175.6	47.3	0	0	0	0	113.4
492	G	84.8	Confident	90.8	Very high	16 Å²	16	26.5 Å²	26.5	17%	0.165	14%	0.141	C	C	.	.	S	Bend	trans	-179.8	-178	-179.3	0	0	0	0	0	111.1	F332 G494	F332-G492 WeakPolarHBondContact CB-O 3.45Å; G492-G494 PolarHBondContact O-N 3.23Å
493	P	89.8	Confident	91.1	Very high	73 Å²	73	27.4 Å²	27.4	47%	0.474	16%	0.155	S	C	.	.			trans	-57.3	135.4	175.3	-22.5	33.4	0	0	0	111.3	F332 P333 R449	F332-P493 HydrophobicContact CD1-CG 4.44Å; P333-P493 WeakPolarHBondContact O-CA 3.41Å; R449-P493 WeakPolarHBondContact CG-O 3.26Å; R449-P493 PolarHBondContact NE-O 3.2Å; R449-P493 VanDerWaalsContact NE-O 3.16Å
494	G	93.3	Very high	91.4	Very high	5 Å²	5	29 Å²	29	5%	0.052	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	173.5	-171.4	0	0	0	0	0	113.8	P333 I334 Q335 R449 G492	P333-G494 PolarHBondContact O-N 3.46Å; P333-G494 VanDerWaalsContact O-N 3.15Å; I334-G494 WeakPolarHBondContact CA-O 3.42Å; Q335-G494 PolarHBondContact N-O 2.92Å; R449-G494 CarbonylContact O-C 3.58Å; R449-G494 WeakPolarHBondContact O-CA 3.39Å; G492-G494 PolarHBondContact O-N 3.23Å
495	V	95.9	Very high	91.6	Very high	5 Å²	5	30.6 Å²	30.6	3%	0.03	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	132.6	177.5	-171.9	0	0	0	0	109.5	Q335 I337 R449 F450 V451 Y497	Q335-V495 HydrophobicContact CB-CG1 4.46Å; Q335-V495 HydrophobicContact CB-CG2 4.43Å; Q335-V495 CarbonylContact O-C 3.58Å; Q335-V495 WeakPolarHBondContact O-CA 3.44Å; I337-V495 HydrophobicContact CD1-CG1 3.7Å; I337-V495 HydrophobicContact CG1-CG1 4.17Å; R449-V495 PolarHBondContact O-N 3.5Å; F450-V495 WeakPolarHBondContact CA-O 3.36Å; F450-V495 HydrophobicContact CD1-CB 4.21Å; F450-V495 HydrophobicContact CD1-CG2 4.42Å; F450-V495 HydrophobicContact CE1-CG2 4.43Å; V451-V495 PolarHBondContact N-O 3.4Å; V495-Y497 HydrophobicContact CB-CE2 4.13Å; V495-Y497 HydrophobicContact CG1-CD2 4.23Å; V495-Y497 HydrophobicContact CG1-CE1 4.07Å; V495-Y497 HydrophobicContact CG1-CE2 3.73Å
496	C	97.1	Very high	91.7	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	112.3	174.4	-175.5	0	0	0	0	109.5	I334 Q335 V336 I337 V451 K485	I334-C496 HydrophobicContact CG2-CB 4.09Å; Q335-C496 PolarHBondContact O-N 3.37Å; V336-C496 WeakPolarHBondContact CA-O 3.48Å; I337-C496 PolarHBondContact N-O 3.27Å; V451-C496 CarbonylContact O-C 3.58Å; V451-C496 WeakPolarHBondContact O-CA 3.28Å; K485-C496 HydrophobicContact CB-CB 4.39Å; K485-C496 HydrophobicContact CG-CB 3.87Å
497	Y	97.3	Very high	92.1	Very high	1 Å²	1	35.9 Å²	35.9	0%	0.004	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	117.5	173.3	-58.8	-85.5	0	0	0	109.2	I337 I361 R368 F450 V451 V452 D453 V495	I337-Y497 HydrophobicContact CB-CD1 4.04Å; I337-Y497 HydrophobicContact CB-CE1 4.4Å; I337-Y497 HydrophobicContact CD1-CD1 4.2Å; I337-Y497 HydrophobicContact CD1-CE1 3.68Å; I337-Y497 HydrophobicContact CG2-CD1 4.24Å; I337-Y497 CarbonylContact O-C 3.51Å; I337-Y497 WeakPolarHBondContact O-CA 3.43Å; I361-Y497 HydrophobicContact CD1-CG 4.2Å; I361-Y497 HydrophobicContact CG2-CD2 3.82Å; I361-Y497 HydrophobicContact CG2-CE2 3.94Å; I361-Y497 HydrophobicContact CG2-CG 4.18Å; R368-Y497 PolarHBondContact NH2-OH 2.88Å; F450-Y497 HydrophobicContact CD1-CE2 4.47Å; V451-Y497 PolarHBondContact O-N 3.14Å; V452-Y497 CarbonylContact C-O 3.38Å; V452-Y497 WeakPolarHBondContact CA-O 3.44Å; V452-Y497 HydrophobicContact CG2-CD2 4.14Å; D453-Y497 PolarHBondContact N-O 3.38Å; V495-Y497 HydrophobicContact CB-CE2 4.13Å; V495-Y497 HydrophobicContact CG1-CD2 4.23Å; V495-Y497 HydrophobicContact CG1-CE1 4.07Å; V495-Y497 HydrophobicContact CG1-CE2 3.73Å
498	R	97.1	Very high	92.4	Very high	4 Å²	4	36.1 Å²	36.1	2%	0.015	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	120.6	176.1	-70	179.7	169	170.4	-1.9	108.7	V336 I337 Y338 Q339 S481 E482 Y500 Y505	V336-R498 HydrophobicContact CG1-CG 4.3Å; I337-R498 PolarHBondContact O-N 3.13Å; Y338-R498 HydrophobicContact CD1-CB 3.78Å; Y338-R498 HydrophobicContact CD1-CG 4.43Å; Y338-R498 HydrophobicContact CE1-CB 4.15Å; Y338-R498 HydrophobicContact CE1-CG 4.35Å; Y338-R498 PolarHBondContact OH-NH1 3.5Å; Q339-R498 PolarHBondContact N-O 2.8Å; S481-R498 PolarHBondContact OG-NE 3.22Å; S481-R498 PolarHBondContact OG-NH2 2.87Å; E482-R498 IonicContact OE1-CZ 2.62Å; E482-R498 IonicContact OE1-NH1 3.13Å; E482-R498 IonicContact OE1-NH2 3.31Å; E482-R498 PolarHBondContact OE1-NH2 3.07Å; R498-Y500 HydrophobicContact CB-CD1 4.3Å; R498-Y500 HydrophobicContact CB-CD2 4.28Å; R498-Y500 HydrophobicContact CB-CE1 3.92Å; R498-Y500 HydrophobicContact CB-CE2 3.91Å; R498-Y500 HydrophobicContact CB-CG 4.48Å; R498-Y500 WeakPolarHBondContact CD-OH 3.47Å; R498-Y500 HydrophobicContact CG-CE1 4.17Å; R498-Y500 HydrophobicContact CG-CE2 4.04Å; R498-Y500 WeakPolarHBondContact CG-OH 3.38Å; R498-Y500 PolarHBondContact NE-OH 3.06Å; R498-Y500 PolarHBondContact O-N 3.35Å; R498-Y505 VanDerWaalsContact NH1-CE2 3.3Å
499	L	95.1	Very high	92.5	Very high	11 Å²	11	39.3 Å²	39.3	6%	0.058	24%	0.239	C	C	.	.	S	Bend	trans	-83.7	20.6	-177.5	-63.6	-179.2	0	0	0	113.9	Q339 I341 Y358 I361 V452 D453	Q339-L499 WeakPolarHBondContact O-CA 3.43Å; I341-L499 HydrophobicContact CD1-CB 4.33Å; I341-L499 HydrophobicContact CD1-CD1 4.41Å; I341-L499 HydrophobicContact CG1-CB 4.27Å; Y358-L499 HydrophobicContact CD1-CD1 3.83Å; Y358-L499 HydrophobicContact CE1-CD1 3.23Å; Y358-L499 HydrophobicContact CE2-CD1 4.46Å; I361-L499 HydrophobicContact CD1-CD2 3.87Å; V452-L499 HydrophobicContact CG1-CD1 3.88Å; V452-L499 HydrophobicContact CG1-CG 4.13Å; D453-L499 PolarHBondContact O-N 3.33Å
500	Y	94.8	Very high	92.7	Very high	3 Å²	3	42.5 Å²	42.5	1%	0.012	26%	0.261	C	S	.	.	S	Bend	trans	-132	162.4	179.2	46.5	-90.1	0	0	0	108.8	Y338 D453 S481 R498 Y505 F508	Y338-Y500 WeakPolarHBondContact CD1-O 3.21Å; Y338-Y500 HydrophobicContact CE1-CE2 4.32Å; D453-Y500 HydrophobicContact CB-CE1 4.31Å; D453-Y500 WeakPolarHBondContact OD2-CE1 3.37Å; D453-Y500 PolarHBondContact OD2-OH 3.43Å; S481-Y500 PolarHBondContact OG-OH 3.13Å; R498-Y500 HydrophobicContact CB-CD1 4.3Å; R498-Y500 HydrophobicContact CB-CD2 4.28Å; R498-Y500 HydrophobicContact CB-CE1 3.92Å; R498-Y500 HydrophobicContact CB-CE2 3.91Å; R498-Y500 HydrophobicContact CB-CG 4.48Å; R498-Y500 WeakPolarHBondContact CD-OH 3.47Å; R498-Y500 HydrophobicContact CG-CE1 4.17Å; R498-Y500 HydrophobicContact CG-CE2 4.04Å; R498-Y500 WeakPolarHBondContact CG-OH 3.38Å; R498-Y500 PolarHBondContact NE-OH 3.06Å; R498-Y500 PolarHBondContact O-N 3.35Å; Y500-Y505 HydrophobicContact CE2-CD2 4.24Å; Y500-F508 HydrophobicContact CD1-CZ 4.42Å; Y500-F508 AromaticContact CD2-CE2 3.87Å; Y500-F508 HydrophobicContact CD2-CE2 3.87Å; Y500-F508 AromaticContact CD2-CZ 3.86Å; Y500-F508 HydrophobicContact CD2-CZ 3.86Å; Y500-F508 HydrophobicContact CE1-CE2 4.37Å; Y500-F508 AromaticContact CE2-CE2 3.6Å; Y500-F508 HydrophobicContact CE2-CE2 3.6Å; Y500-F508 HydrophobicContact CE2-CZ 4.09Å; Y500-F508 HydrophobicContact CG-CE2 4.34Å; Y500-F508 HydrophobicContact CG-CZ 4.03Å; Y500-F508 AromaticContact CZ-CE2 3.86Å
501	S	95.1	Very high	93.1	Very high	22 Å²	22	44 Å²	44	15%	0.154	27%	0.268	C	S	.	.			trans	-75.5	161.9	-179.5	70.3	0	0	0	0	111.5	S503 D504 Y505	S501-S503 WeakPolarHBondContact CB-OG 3.34Å; S501-S503 PolarHBondContact O-N 3.41Å; S501-S503 PolarHBondContact OG-OG 3.28Å; S501-D504 WeakPolarHBondContact CB-OD2 3.17Å; S501-D504 PolarHBondContact N-OD2 2.95Å; S501-D504 PolarHBondContact O-N 3.04Å; S501-D504 PolarHBondContact OG-N 3.48Å; S501-D504 PolarHBondContact OG-OD1 3.5Å; S501-D504 PolarHBondContact OG-OD2 3.36Å; S501-Y505 PolarHBondContact O-N 3.22Å; S501-Y505 VanDerWaalsContact O-N 3.14Å
502	E	95.5	Very high	93.6	Very high	114 Å²	114	42.5 Å²	42.5	53%	0.533	26%	0.259	S	S	.	.	H	α-helix	trans	-65	-31.6	172.1	-174.4	165.9	-154.7	0	0	111.9	Y338 D504 Y505 N506	Y338-E502 HydrophobicContact CD1-CB 4.26Å; Y338-E502 HydrophobicContact CD2-CB 4.01Å; Y338-E502 HydrophobicContact CD2-CG 4.47Å; Y338-E502 HydrophobicContact CE1-CB 4.16Å; Y338-E502 HydrophobicContact CE2-CB 3.9Å; Y338-E502 HydrophobicContact CE2-CG 3.9Å; Y338-E502 HydrophobicContact CG-CB 4.18Å; E502-D504 VanDerWaalsContact C-N 3.34Å; E502-D504 PolarHBondContact O-N 2.88Å; E502-Y505 WeakPolarHBondContact O-CB 3.15Å; E502-Y505 PolarHBondContact O-N 2.89Å; E502-N506 PolarHBondContact O-N 3.39Å; E502-N506 PolarHBondContact O-ND2 3.18Å; E502-N506 VanDerWaalsContact O-ND2 3.16Å
503	S	95.1	Very high	93.8	Very high	83 Å²	83	45.8 Å²	45.8	58%	0.58	28%	0.276	S	S	*	.	H	α-helix	trans	-61.1	-40.5	170.6	35.2	0	0	0	0	112.4	S501 N506 A507	S501-S503 WeakPolarHBondContact CB-OG 3.34Å; S501-S503 PolarHBondContact O-N 3.41Å; S501-S503 PolarHBondContact OG-OG 3.28Å; S503-N506 CarbonylContact O-C 3.56Å; S503-N506 PolarHBondContact O-N 3.44Å; S503-A507 PolarHBondContact O-N 3.44Å
504	D	94.3	Very high	93.9	Very high	62 Å²	62	43 Å²	43	33%	0.332	26%	0.258	S	S	.	.	H	α-helix	trans	-66.2	-43.4	177.7	-60	-41	0	0	0	110.6	S501 E502 N506 A507 F508	S501-D504 WeakPolarHBondContact CB-OD2 3.17Å; S501-D504 PolarHBondContact N-OD2 2.95Å; S501-D504 PolarHBondContact O-N 3.04Å; S501-D504 PolarHBondContact OG-N 3.48Å; S501-D504 PolarHBondContact OG-OD1 3.5Å; S501-D504 PolarHBondContact OG-OD2 3.36Å; E502-D504 VanDerWaalsContact C-N 3.34Å; E502-D504 PolarHBondContact O-N 2.88Å; D504-N506 VanDerWaalsContact C-N 3.25Å; D504-N506 PolarHBondContact O-N 3.01Å; D504-A507 CarbonylContact O-C 3.27Å; D504-A507 WeakPolarHBondContact O-CA 3.41Å; D504-A507 WeakPolarHBondContact O-CB 3.41Å; D504-A507 PolarHBondContact O-N 2.91Å; D504-F508 HydrophobicContact CB-CE1 4.1Å; D504-F508 HydrophobicContact CB-CZ 4.33Å; D504-F508 WeakPolarHBondContact O-CD1 3.32Å; D504-F508 WeakPolarHBondContact O-CE1 3.36Å; D504-F508 WeakPolarHBondContact O-CG 3.38Å; D504-F508 PolarHBondContact O-N 2.96Å
505	Y	95.1	Very high	93.8	Very high	36 Å²	36	45.4 Å²	45.4	14%	0.141	27%	0.268	C	S	.	.	H	α-helix	trans	-55.7	-42.8	173.6	174.7	-96	0	0	0	111.8	R478 E482 R498 Y500 S501 E502 A507 F508	R478-Y505 HydrophobicContact CB-CE2 4.28Å; R478-Y505 HydrophobicContact CG-CE2 4.24Å; R478-Y505 WeakPolarHBondContact CG-O 3.41Å; R478-Y505 PolarHBondContact NE-O 3.46Å; R478-Y505 VanDerWaalsContact NE-O 3.09Å; E482-Y505 PolarHBondContact OE1-OH 3.3Å; R498-Y505 VanDerWaalsContact NH1-CE2 3.3Å; Y500-Y505 HydrophobicContact CE2-CD2 4.24Å; S501-Y505 PolarHBondContact O-N 3.22Å; S501-Y505 VanDerWaalsContact O-N 3.14Å; E502-Y505 WeakPolarHBondContact O-CB 3.15Å; E502-Y505 PolarHBondContact O-N 2.89Å; Y505-A507 PolarHBondContact O-N 3.05Å; Y505-F508 HydrophobicContact CD2-CD2 4.47Å; Y505-F508 WeakPolarHBondContact O-CB 3.39Å; Y505-F508 PolarHBondContact O-N 3.26Å
506	N	94.6	Very high	93.7	Very high	85 Å²	85	45.3 Å²	45.3	46%	0.455	27%	0.267	S	S	.	.	H	α-helix	trans	-71.2	-18	175.7	-68.8	-34	0	0	0	112.8	R478 E502 S503 D504	R478-N506 VanDerWaalsContact NH2-C 3.35Å; R478-N506 PolarHBondContact NH2-O 3.37Å; E502-N506 PolarHBondContact O-N 3.39Å; E502-N506 PolarHBondContact O-ND2 3.18Å; E502-N506 VanDerWaalsContact O-ND2 3.16Å; S503-N506 CarbonylContact O-C 3.56Å; S503-N506 PolarHBondContact O-N 3.44Å; D504-N506 VanDerWaalsContact C-N 3.25Å; D504-N506 PolarHBondContact O-N 3.01Å
507	A	95.5	Very high	93.4	Very high	81 Å²	81	48.7 Å²	48.7	67%	0.669	28%	0.282	S	S	*	.	H	α-helix	trans	-87.3	-19.4	172	0	0	0	0	0	113.1	S503 D504 Y505	S503-A507 PolarHBondContact O-N 3.44Å; D504-A507 CarbonylContact O-C 3.27Å; D504-A507 WeakPolarHBondContact O-CA 3.41Å; D504-A507 WeakPolarHBondContact O-CB 3.41Å; D504-A507 PolarHBondContact O-N 2.91Å; Y505-A507 PolarHBondContact O-N 3.05Å
508	F	95.1	Very high	93.1	Very high	16 Å²	16	51 Å²	51	7%	0.07	29%	0.291	C	S	.	.	S	Bend	trans	-61	145.3	179.8	-66.3	-10.5	0	0	0	112.6	W475 I476 R478 Y500 D504 Y505	W475-F508 HydrophobicContact CB-CD1 4.07Å; W475-F508 HydrophobicContact CB-CE1 3.85Å; W475-F508 AromaticContact CD2-CE1 3.75Å; W475-F508 HydrophobicContact CD2-CE1 3.75Å; W475-F508 HydrophobicContact CD2-CZ 4.19Å; W475-F508 AromaticContact CE3-CE1 3.49Å; W475-F508 HydrophobicContact CE3-CE1 3.49Å; W475-F508 VanDerWaalsContact CE3-CE1 3.49Å; W475-F508 AromaticContact CE3-CZ 3.44Å; W475-F508 HydrophobicContact CE3-CZ 3.44Å; W475-F508 VanDerWaalsContact CE3-CZ 3.44Å; W475-F508 HydrophobicContact CG-CD1 4.49Å; W475-F508 AromaticContact CG-CE1 3.92Å; W475-F508 HydrophobicContact CG-CE1 3.92Å; W475-F508 HydrophobicContact CZ3-CE1 4.28Å; W475-F508 HydrophobicContact CZ3-CZ 4.01Å; I476-F508 HydrophobicContact CG1-CD2 4.21Å; I476-F508 HydrophobicContact CG1-CE2 3.98Å; I476-F508 WeakPolarHBondContact O-CB 3.28Å; I476-F508 WeakPolarHBondContact O-CD2 3.4Å; I476-F508 VanDerWaalsContact O-CG 3.29Å; I476-F508 WeakPolarHBondContact O-CG 3.5Å; R478-F508 HydrophobicContact CG-CB 3.88Å; R478-F508 PolarHBondContact NE-O 3.07Å; Y500-F508 HydrophobicContact CD1-CZ 4.42Å; Y500-F508 AromaticContact CD2-CE2 3.87Å; Y500-F508 HydrophobicContact CD2-CE2 3.87Å; Y500-F508 AromaticContact CD2-CZ 3.86Å; Y500-F508 HydrophobicContact CD2-CZ 3.86Å; Y500-F508 HydrophobicContact CE1-CE2 4.37Å; Y500-F508 AromaticContact CE2-CE2 3.6Å; Y500-F508 HydrophobicContact CE2-CE2 3.6Å; Y500-F508 HydrophobicContact CE2-CZ 4.09Å; Y500-F508 HydrophobicContact CG-CE2 4.34Å; Y500-F508 HydrophobicContact CG-CZ 4.03Å; Y500-F508 AromaticContact CZ-CE2 3.86Å; D504-F508 HydrophobicContact CB-CE1 4.1Å; D504-F508 HydrophobicContact CB-CZ 4.33Å; D504-F508 WeakPolarHBondContact O-CD1 3.32Å; D504-F508 WeakPolarHBondContact O-CE1 3.36Å; D504-F508 WeakPolarHBondContact O-CG 3.38Å; D504-F508 PolarHBondContact O-N 2.96Å; Y505-F508 HydrophobicContact CD2-CD2 4.47Å; Y505-F508 WeakPolarHBondContact O-CB 3.39Å; Y505-F508 PolarHBondContact O-N 3.26Å
509	A	93.3	Very high	92.8	Very high	66 Å²	66	52.3 Å²	52.3	55%	0.545	30%	0.3	S	S	.	.			trans	-57.8	146.5	171.1	0	0	0	0	0	110.6	S477 R478 Y511	S477-A509 CarbonylContact C-O 3.55Å; S477-A509 VanDerWaalsContact CA-O 3.24Å; S477-A509 WeakPolarHBondContact CA-O 3.43Å; S477-A509 WeakPolarHBondContact CB-O 3.46Å; R478-A509 PolarHBondContact N-O 3.44Å; A509-Y511 VanDerWaalsContact C-N 3.33Å; A509-Y511 PolarHBondContact O-N 3.18Å
510	S	90.1	Very high	92.6	Very high	68 Å²	68	53.4 Å²	53.4	48%	0.476	31%	0.31	S	S	.	.	S	Bend	trans	-64.7	-38.7	-177.2	-66.3	0	0	0	0	112.4	A479	A479-S510 WeakPolarHBondContact CB-O 3.45Å; A479-S510 PolarHBondContact N-O 3.11Å; A479-S510 VanDerWaalsContact N-O 3.12Å
511	Y	88.7	Confident	92.5	Very high	94 Å²	94	53.4 Å²	53.4	37%	0.369	31%	0.311	S	S	.	.	S	Bend	trans	-135.1	155.7	-175.5	-62	-73.7	0	0	0	110.6	N311 A479 A509	N311-Y511 HydrophobicContact CB-CD1 4.39Å; N311-Y511 HydrophobicContact CB-CE1 3.74Å; N311-Y511 HydrophobicContact CB-CE2 4.17Å; A479-Y511 HydrophobicContact CB-CD1 3.82Å; A479-Y511 HydrophobicContact CB-CE1 4.22Å; A509-Y511 VanDerWaalsContact C-N 3.33Å; A509-Y511 PolarHBondContact O-N 3.18Å
512	P	88.3	Confident	92.3	Very high	47 Å²	47	53.3 Å²	53.3	31%	0.305	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-65.9	152.5	173	29.3	-34.2	0	0	0	110.9	S477	S477-P512 WeakPolarHBondContact OG-CD 3.18Å
513	V	89.6	Confident	92.1	Very high	85 Å²	85	50.3 Å²	50.3	52%	0.515	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-67.8	127.6	174.4	179.9	0	0	0	0	108.9	H517 R518	V513-H517 HydrophobicContact CG1-CB 4.03Å; V513-R518 HydrophobicContact CG1-CG 4.16Å
514	P	91.1	Very high	91.9	Very high	16 Å²	16	46.7 Å²	46.7	10%	0.104	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-55.9	143.4	179	-27.1	36	0	0	0	112.7	R280 I516 H517 R518	R280-P514 HydrophobicContact CB-CB 4.13Å; P514-I516 HydrophobicContact CB-CG2 4.05Å; P514-I516 PolarHBondContact O-N 2.66Å; P514-H517 PolarHBondContact O-N 3.27Å; P514-H517 VanDerWaalsContact O-N 3.13Å; P514-R518 WeakPolarHBondContact O-CG 3.48Å
515	E	91.4	Very high	91.9	Very high	55 Å²	55	43.8 Å²	43.8	26%	0.257	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-61.1	-32.1	-174.4	-172.6	174.4	-165.8	0	0	113	R280 H281 L282 H517 R518 V519	R280-E515 WeakPolarHBondContact O-CB 3.48Å; R280-E515 PolarHBondContact O-N 2.61Å; H281-E515 VanDerWaalsContact CA-OE2 3.26Å; H281-E515 WeakPolarHBondContact CA-OE2 3.46Å; H281-E515 IonicContact CG-OE2 3.75Å; H281-E515 IonicContact ND1-OE2 3.17Å; H281-E515 PolarHBondContact ND1-OE2 3.41Å; H281-E515 VanDerWaalsContact ND1-OE2 3.15Å; L282-E515 HydrophobicContact CB-CG 4.3Å; L282-E515 PolarHBondContact N-OE2 2.9Å; L282-E515 VanDerWaalsContact N-OE2 3.08Å; E515-H517 PolarHBondContact O-N 3.18Å; E515-H517 VanDerWaalsContact O-N 3.07Å; E515-R518 PolarHBondContact O-N 3.01Å; E515-V519 HydrophobicContact CG-CG1 3.64Å; E515-V519 HydrophobicContact CG-CG2 4.46Å; E515-V519 WeakPolarHBondContact O-CG2 3.37Å; E515-V519 PolarHBondContact O-N 2.99Å
516	I	92.7	Very high	91.9	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.01	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-57.2	-22.2	178	-165.2	169.8	0	0	0	114.1	L282 P514 L521 L524 F541 P545	L282-I516 HydrophobicContact CD1-CB 3.95Å; L282-I516 HydrophobicContact CD1-CD1 4.44Å; L282-I516 HydrophobicContact CD1-CG1 3.8Å; P514-I516 HydrophobicContact CB-CG2 4.05Å; P514-I516 PolarHBondContact O-N 2.66Å; I516-L521 HydrophobicContact CG1-CD2 4.26Å; I516-L524 HydrophobicContact CD1-CD2 4.48Å; I516-F541 HydrophobicContact CD1-CD1 3.52Å; I516-F541 HydrophobicContact CD1-CE1 3.66Å; I516-F541 HydrophobicContact CD1-CG 4.18Å; I516-F541 HydrophobicContact CD1-CZ 4.39Å; I516-P545 HydrophobicContact CD1-CG 4.35Å; I516-P545 HydrophobicContact CG1-CB 4.13Å; I516-P545 HydrophobicContact CG1-CG 4.46Å
517	H	92.4	Very high	91.7	Very high	71 Å²	71	39.7 Å²	39.7	33%	0.329	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-87.7	-9.9	176.8	-67	173.6	0	0	0	113.9	V513 P514 E515 P544	V513-H517 HydrophobicContact CG1-CB 4.03Å; P514-H517 PolarHBondContact O-N 3.27Å; P514-H517 VanDerWaalsContact O-N 3.13Å; E515-H517 PolarHBondContact O-N 3.18Å; E515-H517 VanDerWaalsContact O-N 3.07Å; H517-P544 PolarHBondContact NE2-O 3.48Å
518	R	90.5	Very high	91.6	Very high	51 Å²	51	35.9 Å²	35.9	19%	0.192	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.4	-6.4	-166	-31	-177.4	-62.1	171.9	-4.5	113.8	E459 S461 F462 V513 P514 E515	E459-R518 IonicContact OE1-CZ 3.78Å; E459-R518 IonicContact OE1-NH1 2.71Å; E459-R518 PolarHBondContact OE1-NH1 2.9Å; E459-R518 IonicContact OE2-NH1 3.13Å; E459-R518 PolarHBondContact OE2-NH1 3.23Å; S461-R518 CarbonylContact C-O 3.58Å; S461-R518 VanDerWaalsContact C-O 3.29Å; S461-R518 WeakPolarHBondContact CA-O 3.28Å; F462-R518 WeakPolarHBondContact CB-O 3.33Å; F462-R518 PolarHBondContact N-O 3.05Å; V513-R518 HydrophobicContact CG1-CG 4.16Å; P514-R518 WeakPolarHBondContact O-CG 3.48Å; E515-R518 PolarHBondContact O-N 3.01Å
519	V	91.3	Very high	91.4	Very high	31 Å²	31	36.9 Å²	36.9	19%	0.188	21%	0.211	C	C	.	.	S	Bend	trans	-121	159.8	-170.4	-59.9	0	0	0	0	111.7	L282 E515 L521	L282-V519 HydrophobicContact CD1-CG2 4Å; L282-V519 HydrophobicContact CD2-CG2 3.94Å; L282-V519 HydrophobicContact CG-CG2 4.4Å; E515-V519 HydrophobicContact CG-CG1 3.64Å; E515-V519 HydrophobicContact CG-CG2 4.46Å; E515-V519 WeakPolarHBondContact O-CG2 3.37Å; E515-V519 PolarHBondContact O-N 2.99Å; V519-L521 HydrophobicContact CG2-CD2 4.23Å
520	A	90.4	Very high	91.3	Very high	34 Å²	34	35 Å²	35	28%	0.281	19%	0.194	S	C	.	.			trans	-66.7	137.5	170.9	0	0	0	0	0	110.2	F462	F462-A520 HydrophobicContact CD1-CB 4.12Å; F462-A520 HydrophobicContact CD2-CB 4.05Å; F462-A520 HydrophobicContact CE1-CB 3.85Å; F462-A520 HydrophobicContact CE2-CB 3.79Å; F462-A520 HydrophobicContact CG-CB 4.21Å; F462-A520 HydrophobicContact CZ-CB 3.68Å
521	L	92.7	Very high	91.4	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.016	17%	0.174	C	C	.	.			trans	-101	5.4	-175.3	-56.6	179.2	0	0	0	113.2	L282 I516 V519 S523 L524 V525 P545 I550 A553	L282-L521 HydrophobicContact CD1-CD2 4.11Å; I516-L521 HydrophobicContact CG1-CD2 4.26Å; V519-L521 HydrophobicContact CG2-CD2 4.23Å; L521-S523 PolarHBondContact O-N 3.37Å; L521-L524 HydrophobicContact CD2-CD2 4.13Å; L521-L524 PolarHBondContact O-N 2.84Å; L521-L524 VanDerWaalsContact O-N 3.11Å; L521-V525 HydrophobicContact CB-CG2 4.33Å; L521-V525 WeakPolarHBondContact O-CG2 3.36Å; L521-V525 PolarHBondContact O-N 2.92Å; L521-P545 HydrophobicContact CD1-CB 3.53Å; L521-P545 HydrophobicContact CD1-CG 3.96Å; L521-I550 HydrophobicContact CD1-CG1 4Å; L521-A553 HydrophobicContact CB-CB 4.16Å
522	D	91.6	Very high	91.4	Very high	19 Å²	19	33.6 Å²	33.6	10%	0.102	19%	0.187	C	C	.	.	H	α-helix	trans	-49.2	-55.8	-177	-54.9	-12.2	0	0	0	111.9	K467 L524 L526 Y556	K467-D522 WeakPolarHBondContact CE-OD2 3.36Å; K467-D522 IonicContact NZ-OD2 3.21Å; K467-D522 PolarHBondContact NZ-OD2 3.45Å; K467-D522 VanDerWaalsContact NZ-OD2 3.13Å; D522-L524 PolarHBondContact O-N 2.93Å; D522-L526 WeakPolarHBondContact O-CB 3.46Å; D522-L526 PolarHBondContact O-N 3.28Å; D522-L526 VanDerWaalsContact O-N 3.11Å; D522-Y556 HydrophobicContact CB-CD1 3.98Å; D522-Y556 HydrophobicContact CB-CE1 4.17Å; D522-Y556 WeakPolarHBondContact OD2-CD1 3.32Å; D522-Y556 VanDerWaalsContact OD2-CE1 3.31Å; D522-Y556 WeakPolarHBondContact OD2-CE1 3.49Å
523	S	90.4	Very high	91.4	Very high	52 Å²	52	33.5 Å²	33.5	36%	0.364	18%	0.183	S	C	.	.	H	α-helix	trans	-69.4	-32.8	-178.9	-56.2	0	0	0	0	112.8	L521 Q527	L521-S523 PolarHBondContact O-N 3.37Å; S523-Q527 VanDerWaalsContact O-CB 3.31Å; S523-Q527 WeakPolarHBondContact O-CB 3.49Å; S523-Q527 PolarHBondContact O-N 3.47Å
524	L	92.1	Very high	91.2	Very high	7 Å²	7	31.5 Å²	31.5	4%	0.037	18%	0.18	C	C	.	.	H	α-helix	trans	-66.7	-50.5	177	177.1	68.2	0	0	0	110.6	L282 F286 I516 L521 D522 L526 Q527 M528 F541	L282-L524 HydrophobicContact CD1-CD2 4.06Å; F286-L524 HydrophobicContact CB-CD1 3.85Å; F286-L524 HydrophobicContact CD1-CD1 3.48Å; F286-L524 VanDerWaalsContact CD1-CD1 3.48Å; F286-L524 HydrophobicContact CD2-CD1 3.65Å; F286-L524 HydrophobicContact CE1-CD1 3.88Å; F286-L524 HydrophobicContact CE2-CD1 4.04Å; F286-L524 HydrophobicContact CG-CD1 3.36Å; F286-L524 HydrophobicContact CZ-CD1 4.14Å; I516-L524 HydrophobicContact CD1-CD2 4.48Å; L521-L524 HydrophobicContact CD2-CD2 4.13Å; L521-L524 PolarHBondContact O-N 2.84Å; L521-L524 VanDerWaalsContact O-N 3.11Å; D522-L524 PolarHBondContact O-N 2.93Å; L524-L526 VanDerWaalsContact C-N 3.3Å; L524-L526 PolarHBondContact O-N 2.99Å; L524-Q527 WeakPolarHBondContact O-CB 3.4Å; L524-Q527 PolarHBondContact O-N 2.9Å; L524-Q527 VanDerWaalsContact O-N 3.14Å; L524-M528 HydrophobicContact CD1-CG 4.35Å; L524-M528 HydrophobicContact CD1-SD 4.41Å; L524-M528 HydrophobicContact CD2-SD 4.4Å; L524-M528 HydrophobicContact CG-CG 4.38Å; L524-M528 HydrophobicContact CG-SD 3.98Å; L524-M528 VanDerWaalsContact O-CG 3.27Å; L524-M528 WeakPolarHBondContact O-CG 3.44Å; L524-M528 PolarHBondContact O-N 3.24Å; L524-F541 HydrophobicContact CD2-CE1 4.2Å; L524-F541 HydrophobicContact CD2-CZ 4.25Å
525	V	94.1	Very high	91.1	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.006	20%	0.196	C	C	.	.	H	α-helix	trans	-60.8	-42.2	179.9	170.7	0	0	0	0	110.7	L521 Q527 M528 K529 P536 A553 V554 L557	L521-V525 HydrophobicContact CB-CG2 4.33Å; L521-V525 WeakPolarHBondContact O-CG2 3.36Å; L521-V525 PolarHBondContact O-N 2.92Å; V525-Q527 VanDerWaalsContact C-N 3.35Å; V525-Q527 PolarHBondContact O-N 3.4Å; V525-M528 PolarHBondContact O-N 2.81Å; V525-K529 WeakPolarHBondContact O-CG 3.39Å; V525-K529 PolarHBondContact O-N 3.25Å; V525-P536 HydrophobicContact CG1-CG 4.18Å; V525-A553 HydrophobicContact CG2-CB 4.03Å; V525-V554 HydrophobicContact CG1-CG2 3.9Å; V525-L557 HydrophobicContact CB-CD1 4Å; V525-L557 HydrophobicContact CG1-CD1 3.71Å
526	L	93.6	Very high	91	Very high	7 Å²	7	32.1 Å²	32.1	4%	0.037	18%	0.184	C	C	.	.	H	α-helix	trans	-61.2	-44.1	175.2	-175.5	66.2	0	0	0	111.7	D522 L524 K529 S530 L557 A562 L569 L576 A577 V583	D522-L526 WeakPolarHBondContact O-CB 3.46Å; D522-L526 PolarHBondContact O-N 3.28Å; D522-L526 VanDerWaalsContact O-N 3.11Å; L524-L526 VanDerWaalsContact C-N 3.3Å; L524-L526 PolarHBondContact O-N 2.99Å; L526-K529 PolarHBondContact O-N 3.02Å; L526-S530 PolarHBondContact O-N 3.44Å; L526-L557 HydrophobicContact CB-CD1 4.08Å; L526-L557 HydrophobicContact CB-CD2 4.17Å; L526-L557 HydrophobicContact CD1-CD2 4.4Å; L526-A562 HydrophobicContact CD1-CB 4.19Å; L526-L569 HydrophobicContact CD1-CD2 3.55Å; L526-L576 HydrophobicContact CD2-CB 3.98Å; L526-A577 HydrophobicContact CD1-CB 4.39Å; L526-A577 HydrophobicContact CD2-CB 4.34Å; L526-A577 HydrophobicContact CG-CB 3.95Å; L526-V583 HydrophobicContact CD2-CG2 4.07Å
527	Q	91.5	Very high	91	Very high	28 Å²	28	36 Å²	36	13%	0.131	21%	0.205	C	C	.	.	H	α-helix	trans	-63.9	-44.8	177.5	-172.4	174	16.1	0	0	111.7	F286 S523 L524 V525 K529 S530 M531	F286-Q527 HydrophobicContact CE1-CG 4.14Å; S523-Q527 VanDerWaalsContact O-CB 3.31Å; S523-Q527 WeakPolarHBondContact O-CB 3.49Å; S523-Q527 PolarHBondContact O-N 3.47Å; L524-Q527 WeakPolarHBondContact O-CB 3.4Å; L524-Q527 PolarHBondContact O-N 2.9Å; L524-Q527 VanDerWaalsContact O-N 3.14Å; V525-Q527 VanDerWaalsContact C-N 3.35Å; V525-Q527 PolarHBondContact O-N 3.4Å; Q527-K529 PolarHBondContact O-N 3.44Å; Q527-S530 PolarHBondContact O-N 2.92Å; Q527-S530 VanDerWaalsContact O-N 3.09Å; Q527-S530 PolarHBondContact O-OG 3.43Å; Q527-M531 HydrophobicContact CG-SD 3.94Å; Q527-M531 WeakPolarHBondContact O-CG 3.38Å; Q527-M531 PolarHBondContact O-N 3.27Å
528	M	92.6	Very high	90.9	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-57.6	-46.8	177.2	-71.3	174.2	78.2	0	0	112	F286 L524 V525 S530 M531 D532 L533 P536 F539 F541	F286-M528 HydrophobicContact CD2-CG 4.41Å; F286-M528 HydrophobicContact CE2-CG 3.47Å; F286-M528 VanDerWaalsContact CE2-CG 3.47Å; F286-M528 HydrophobicContact CE2-SD 4.26Å; F286-M528 HydrophobicContact CZ-CG 3.62Å; L524-M528 HydrophobicContact CD1-CG 4.35Å; L524-M528 HydrophobicContact CD1-SD 4.41Å; L524-M528 HydrophobicContact CD2-SD 4.4Å; L524-M528 HydrophobicContact CG-CG 4.38Å; L524-M528 HydrophobicContact CG-SD 3.98Å; L524-M528 VanDerWaalsContact O-CG 3.27Å; L524-M528 WeakPolarHBondContact O-CG 3.44Å; L524-M528 PolarHBondContact O-N 3.24Å; V525-M528 PolarHBondContact O-N 2.81Å; M528-S530 VanDerWaalsContact C-N 3.3Å; M528-S530 PolarHBondContact O-N 3.31Å; M528-M531 PolarHBondContact O-N 2.93Å; M528-D532 PolarHBondContact O-N 3.4Å; M528-L533 PolarHBondContact O-N 3.07Å; M528-P536 HydrophobicContact CE-CB 3.94Å; M528-P536 HydrophobicContact CE-CG 4.4Å; M528-P536 HydrophobicContact SD-CB 4.13Å; M528-P536 HydrophobicContact SD-CG 4.47Å; M528-F539 HydrophobicContact CE-CB 3.44Å; M528-F539 VanDerWaalsContact CE-CB 3.44Å; M528-F539 HydrophobicContact CE-CD1 3.9Å; M528-F539 HydrophobicContact CE-CD2 3.87Å; M528-F539 HydrophobicContact CE-CG 3.46Å; M528-F539 VanDerWaalsContact CE-CG 3.46Å; M528-F541 HydrophobicContact CE-CE2 4.19Å; M528-F541 HydrophobicContact CE-CZ 3.74Å; M528-F541 HydrophobicContact SD-CZ 3.84Å
529	K	91.9	Very high	91	Very high	37 Å²	37	35.3 Å²	35.3	16%	0.161	21%	0.213	C	C	.	.	H	α-helix	trans	-62	-37.5	175.4	-74.8	-67.7	-167.9	168	0	111.9	V525 L526 Q527 M531 D532 L563 G567 E568 L569	V525-K529 WeakPolarHBondContact O-CG 3.39Å; V525-K529 PolarHBondContact O-N 3.25Å; L526-K529 PolarHBondContact O-N 3.02Å; Q527-K529 PolarHBondContact O-N 3.44Å; K529-M531 VanDerWaalsContact C-N 3.28Å; K529-M531 PolarHBondContact O-N 3.48Å; K529-D532 PolarHBondContact O-N 3.17Å; K529-L563 HydrophobicContact CG-CD2 4.39Å; K529-G567 WeakPolarHBondContact CE-O 3.37Å; K529-G567 PolarHBondContact NZ-O 2.87Å; K529-E568 IonicContact NZ-OE1 3.24Å; K529-E568 PolarHBondContact NZ-OE1 2.98Å; K529-E568 VanDerWaalsContact NZ-OE1 3.09Å; K529-L569 HydrophobicContact CB-CD1 4.13Å; K529-L569 HydrophobicContact CB-CD2 4.24Å; K529-L569 HydrophobicContact CB-CG 3.99Å
530	S	91.3	Very high	91	Very high	26 Å²	26	36.5 Å²	36.5	18%	0.182	22%	0.221	C	C	.	.	H	α-helix	trans	-72.5	-20.4	178.9	78.5	0	0	0	0	114.7	Q261 L526 Q527 M528 L569 A577	Q261-S530 PolarHBondContact NE2-OG 3.25Å; L526-S530 PolarHBondContact O-N 3.44Å; Q527-S530 PolarHBondContact O-N 2.92Å; Q527-S530 VanDerWaalsContact O-N 3.09Å; Q527-S530 PolarHBondContact O-OG 3.43Å; M528-S530 VanDerWaalsContact C-N 3.3Å; M528-S530 PolarHBondContact O-N 3.31Å; S530-L569 VanDerWaalsContact CA-CD1 3.48Å; S530-A577 VanDerWaalsContact CB-CB 3.44Å
531	M	90.6	Very high	91.1	Very high	14 Å²	14	35.8 Å²	35.8	7%	0.069	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	1.9	177.4	-67.8	176.2	69.6	0	0	112.2	I260 Q261 F286 V290 Q527 M528 K529 L533	I260-M531 HydrophobicContact CB-CE 4.19Å; I260-M531 HydrophobicContact CG2-CE 3.65Å; Q261-M531 HydrophobicContact CB-CG 4.19Å; Q261-M531 HydrophobicContact CG-CG 4.01Å; F286-M531 HydrophobicContact CE1-SD 4.29Å; F286-M531 HydrophobicContact CZ-SD 4.18Å; V290-M531 HydrophobicContact CG1-CE 3.87Å; V290-M531 HydrophobicContact CG2-CE 4.13Å; Q527-M531 HydrophobicContact CG-SD 3.94Å; Q527-M531 WeakPolarHBondContact O-CG 3.38Å; Q527-M531 PolarHBondContact O-N 3.27Å; M528-M531 PolarHBondContact O-N 2.93Å; K529-M531 VanDerWaalsContact C-N 3.28Å; K529-M531 PolarHBondContact O-N 3.48Å; M531-L533 VanDerWaalsContact C-N 3.29Å; M531-L533 HydrophobicContact CB-CD1 3.96Å; M531-L533 HydrophobicContact CB-CD2 4.41Å; M531-L533 HydrophobicContact CB-CG 3.74Å; M531-L533 HydrophobicContact CE-CD1 4.34Å; M531-L533 PolarHBondContact O-N 3Å; M531-L533 HydrophobicContact SD-CD1 4.31Å
532	D	89.1	Confident	91.1	Very high	118 Å²	118	36.4 Å²	36.4	63%	0.631	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.6	36.5	-176.4	-50.5	-52.6	0	0	0	113.6	K264 M528 K529 G534	K264-D532 IonicContact NZ-OD2 2.68Å; K264-D532 PolarHBondContact NZ-OD2 3.08Å; M528-D532 PolarHBondContact O-N 3.4Å; K529-D532 PolarHBondContact O-N 3.17Å; D532-G534 PolarHBondContact O-N 3.35Å
533	L	88.6	Confident	91	Very high	45 Å²	45	38 Å²	38	24%	0.236	22%	0.222	C	C	.	.			trans	-80.2	13.2	-176.3	-62	175	0	0	0	114.5	F286 V290 M528 M531 F539	F286-L533 HydrophobicContact CE2-CD1 3.79Å; F286-L533 HydrophobicContact CZ-CD1 3.7Å; V290-L533 HydrophobicContact CG2-CD1 3.83Å; M528-L533 PolarHBondContact O-N 3.07Å; M531-L533 VanDerWaalsContact C-N 3.29Å; M531-L533 HydrophobicContact CB-CD1 3.96Å; M531-L533 HydrophobicContact CB-CD2 4.41Å; M531-L533 HydrophobicContact CB-CG 3.74Å; M531-L533 HydrophobicContact CE-CD1 4.34Å; M531-L533 PolarHBondContact O-N 3Å; M531-L533 HydrophobicContact SD-CD1 4.31Å; L533-F539 HydrophobicContact CB-CD2 4.25Å; L533-F539 HydrophobicContact CB-CE2 4.24Å; L533-F539 HydrophobicContact CD1-CE2 3.92Å; L533-F539 HydrophobicContact CD1-CZ 4.47Å; L533-F539 HydrophobicContact CG-CE2 4.48Å
534	G	85.9	Confident	91.1	Very high	43 Å²	43	39.7 Å²	39.7	44%	0.443	23%	0.233	S	C	.	.			trans	80.5	-156.1	-178.9	0	0	0	0	0	114.6	D532 P536	D532-G534 PolarHBondContact O-N 3.35Å; G534-P536 WeakPolarHBondContact O-CD 3.19Å
535	D	88.2	Confident	91.2	Very high	81 Å²	81	40 Å²	40	43%	0.433	24%	0.235	S	C	.	.			trans	-73.5	122.6	178.7	177.8	13.3	0	0	0	110.6	L537 S538 F539	D535-L537 PolarHBondContact O-N 3.33Å; D535-L537 PolarHBondContact OD1-N 2.91Å; D535-S538 PolarHBondContact O-N 2.87Å; D535-S538 PolarHBondContact O-OG 3.23Å; D535-F539 PolarHBondContact O-N 2.71Å
536	P	90.7	Very high	91	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.019	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-27.9	177.4	-28	34.9	0	0	0	115.2	V525 M528 G534 S538 I550	V525-P536 HydrophobicContact CG1-CG 4.18Å; M528-P536 HydrophobicContact CE-CB 3.94Å; M528-P536 HydrophobicContact CE-CG 4.4Å; M528-P536 HydrophobicContact SD-CB 4.13Å; M528-P536 HydrophobicContact SD-CG 4.47Å; G534-P536 WeakPolarHBondContact O-CD 3.19Å; P536-S538 VanDerWaalsContact C-N 3.32Å; P536-I550 HydrophobicContact CB-CD1 4.42Å; P536-I550 HydrophobicContact CB-CG2 4.01Å
537	L	91	Very high	90.9	Very high	84 Å²	84	46.7 Å²	46.7	44%	0.44	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-26.5	177.2	-67.2	174.2	0	0	0	113.5	D535 T547 I550	D535-L537 PolarHBondContact O-N 3.33Å; D535-L537 PolarHBondContact OD1-N 2.91Å; L537-T547 HydrophobicContact CD2-CG2 3.74Å; L537-I550 HydrophobicContact CD2-CB 4.11Å; L537-I550 HydrophobicContact CD2-CD1 3.77Å; L537-I550 HydrophobicContact CD2-CG2 4.01Å; L537-I550 HydrophobicContact CG-CG2 4.27Å
538	S	90.6	Very high	90.9	Very high	87 Å²	87	47.9 Å²	47.9	61%	0.608	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-7.2	-178.7	69.9	0	0	0	0	113.7	D535 P536	D535-S538 PolarHBondContact O-N 2.87Å; D535-S538 PolarHBondContact O-OG 3.23Å; P536-S538 VanDerWaalsContact C-N 3.32Å
539	F	93.4	Very high	90.8	Very high	20 Å²	20	48.6 Å²	48.6	9%	0.088	30%	0.297	C	S	.	.	S	Bend	trans	-66.6	143.9	-175	-175.2	-98.3	0	0	0	112.1	F286 V290 M528 L533 D535 F541	F286-F539 AromaticContact CD2-CE1 3.92Å; F286-F539 HydrophobicContact CD2-CE1 3.92Å; F286-F539 HydrophobicContact CD2-CZ 4.03Å; F286-F539 HydrophobicContact CE2-CE1 4.13Å; F286-F539 HydrophobicContact CE2-CE2 4.47Å; F286-F539 AromaticContact CE2-CZ 3.88Å; F286-F539 HydrophobicContact CE2-CZ 3.88Å; V290-F539 HydrophobicContact CG2-CZ 4.26Å; M528-F539 HydrophobicContact CE-CB 3.44Å; M528-F539 VanDerWaalsContact CE-CB 3.44Å; M528-F539 HydrophobicContact CE-CD1 3.9Å; M528-F539 HydrophobicContact CE-CD2 3.87Å; M528-F539 HydrophobicContact CE-CG 3.46Å; M528-F539 VanDerWaalsContact CE-CG 3.46Å; L533-F539 HydrophobicContact CB-CD2 4.25Å; L533-F539 HydrophobicContact CB-CE2 4.24Å; L533-F539 HydrophobicContact CD1-CE2 3.92Å; L533-F539 HydrophobicContact CD1-CZ 4.47Å; L533-F539 HydrophobicContact CG-CE2 4.48Å; D535-F539 PolarHBondContact O-N 2.71Å; F539-F541 VanDerWaalsContact C-N 3.26Å; F539-F541 HydrophobicContact CB-CD2 4.19Å; F539-F541 HydrophobicContact CB-CE2 3.79Å; F539-F541 HydrophobicContact CB-CZ 4.29Å; F539-F541 AromaticContact CD1-CD1 3.69Å; F539-F541 HydrophobicContact CD1-CD1 3.69Å; F539-F541 AromaticContact CD1-CD2 3.74Å; F539-F541 HydrophobicContact CD1-CD2 3.74Å; F539-F541 AromaticContact CD1-CE1 3.53Å; F539-F541 HydrophobicContact CD1-CE1 3.53Å; F539-F541 AromaticContact CD1-CE2 3.59Å; F539-F541 HydrophobicContact CD1-CE2 3.59Å; F539-F541 AromaticContact CD1-CG 3.8Å; F539-F541 HydrophobicContact CD1-CG 3.8Å; F539-F541 AromaticContact CD1-CZ 3.48Å; F539-F541 HydrophobicContact CD1-CZ 3.48Å; F539-F541 VanDerWaalsContact CD1-CZ 3.48Å; F539-F541 AromaticContact CE1-CD1 3.93Å; F539-F541 HydrophobicContact CE1-CD1 3.93Å; F539-F541 AromaticContact CE1-CE1 3.8Å; F539-F541 HydrophobicContact CE1-CE1 3.8Å; F539-F541 HydrophobicContact CE1-CG 4.4Å; F539-F541 HydrophobicContact CE1-CZ 4.18Å; F539-F541 HydrophobicContact CG-CD2 4.47Å; F539-F541 HydrophobicContact CG-CE2 4.14Å; F539-F541 HydrophobicContact CG-CZ 4.22Å; F539-F541 WeakPolarHBondContact O-CD2 3.43Å; F539-F541 PolarHBondContact O-N 3.25Å
540	V	91.3	Very high	90.9	Very high	57 Å²	57	47.2 Å²	47.2	35%	0.345	29%	0.292	S	S	.	.			trans	-77.9	60.6	-173.9	-69.4	0	0	0	0	113	Y318	Y318-V540 WeakPolarHBondContact CE2-O 3.35Å; Y318-V540 PolarHBondContact OH-O 3.29Å
541	F	92.4	Very high	90.9	Very high	19 Å²	19	51.4 Å²	51.4	8%	0.083	31%	0.308	C	S	.	.			trans	-64.3	155	173.5	-66.1	-73.2	0	0	0	112.5	F286 I516 L524 M528 F539 P545	F286-F541 HydrophobicContact CD2-CE1 4.33Å; I516-F541 HydrophobicContact CD1-CD1 3.52Å; I516-F541 HydrophobicContact CD1-CE1 3.66Å; I516-F541 HydrophobicContact CD1-CG 4.18Å; I516-F541 HydrophobicContact CD1-CZ 4.39Å; L524-F541 HydrophobicContact CD2-CE1 4.2Å; L524-F541 HydrophobicContact CD2-CZ 4.25Å; M528-F541 HydrophobicContact CE-CE2 4.19Å; M528-F541 HydrophobicContact CE-CZ 3.74Å; M528-F541 HydrophobicContact SD-CZ 3.84Å; F539-F541 VanDerWaalsContact C-N 3.26Å; F539-F541 HydrophobicContact CB-CD2 4.19Å; F539-F541 HydrophobicContact CB-CE2 3.79Å; F539-F541 HydrophobicContact CB-CZ 4.29Å; F539-F541 AromaticContact CD1-CD1 3.69Å; F539-F541 HydrophobicContact CD1-CD1 3.69Å; F539-F541 AromaticContact CD1-CD2 3.74Å; F539-F541 HydrophobicContact CD1-CD2 3.74Å; F539-F541 AromaticContact CD1-CE1 3.53Å; F539-F541 HydrophobicContact CD1-CE1 3.53Å; F539-F541 AromaticContact CD1-CE2 3.59Å; F539-F541 HydrophobicContact CD1-CE2 3.59Å; F539-F541 AromaticContact CD1-CG 3.8Å; F539-F541 HydrophobicContact CD1-CG 3.8Å; F539-F541 AromaticContact CD1-CZ 3.48Å; F539-F541 HydrophobicContact CD1-CZ 3.48Å; F539-F541 VanDerWaalsContact CD1-CZ 3.48Å; F539-F541 AromaticContact CE1-CD1 3.93Å; F539-F541 HydrophobicContact CE1-CD1 3.93Å; F539-F541 AromaticContact CE1-CE1 3.8Å; F539-F541 HydrophobicContact CE1-CE1 3.8Å; F539-F541 HydrophobicContact CE1-CG 4.4Å; F539-F541 HydrophobicContact CE1-CZ 4.18Å; F539-F541 HydrophobicContact CG-CD2 4.47Å; F539-F541 HydrophobicContact CG-CE2 4.14Å; F539-F541 HydrophobicContact CG-CZ 4.22Å; F539-F541 WeakPolarHBondContact O-CD2 3.43Å; F539-F541 PolarHBondContact O-N 3.25Å; F541-P545 HydrophobicContact CD2-CG 4.48Å; F541-P545 HydrophobicContact CE2-CG 4.25Å
542	I	91.6	Very high	91	Very high	16 Å²	16	52.9 Å²	52.9	8%	0.082	32%	0.318	C	S	.	.	S	Bend	trans	-65.5	-53.6	170	-61.6	174.7	0	0	0	109.4	L288 L314 F315 Y318	L288-I542 HydrophobicContact CB-CD1 4.05Å; L288-I542 HydrophobicContact CD1-CD1 3.53Å; L288-I542 HydrophobicContact CG-CD1 4.43Å; L314-I542 HydrophobicContact CD1-CG2 4Å; L314-I542 HydrophobicContact CD2-CG2 3.86Å; L314-I542 HydrophobicContact CG-CG2 3.94Å; F315-I542 HydrophobicContact CD1-CD1 4.26Å; F315-I542 HydrophobicContact CE1-CD1 3.97Å; Y318-I542 HydrophobicContact CD1-CG1 4.01Å; Y318-I542 HydrophobicContact CD2-CB 4.36Å; Y318-I542 HydrophobicContact CD2-CG1 3.92Å; Y318-I542 HydrophobicContact CE1-CD1 4.48Å; Y318-I542 HydrophobicContact CE1-CG1 3.85Å; Y318-I542 HydrophobicContact CE2-CB 4.32Å; Y318-I542 HydrophobicContact CE2-CG1 3.74Å; Y318-I542 HydrophobicContact CG-CG1 4.05Å
543	D	90.8	Very high	91.1	Very high	51 Å²	51	47.3 Å²	47.3	27%	0.273	29%	0.288	S	S	.	.	S	Bend	trans	-121.9	114.7	168.2	-72.8	-61.6	0	0	0	107.6	R280	R280-D543 IonicContact CZ-OD2 2.74Å; R280-D543 IonicContact NH1-OD2 2.72Å; R280-D543 PolarHBondContact NH1-OD2 3.12Å; R280-D543 IonicContact NH2-OD2 3.68Å; R280-D543 PolarHBondContact NH2-OD2 3.18Å
544	P	92.2	Very high	91.4	Very high	89 Å²	89	46.7 Å²	46.7	58%	0.578	29%	0.286	S	S	*	.	P	Polyproline II helix	trans	-66.8	140.9	-177.5	26.3	-33.2	0	0	0	111	H517	H517-P544 PolarHBondContact NE2-O 3.48Å
545	P	93.1	Very high	91.6	Very high	12 Å²	12	48.3 Å²	48.3	8%	0.078	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-67.5	160.5	173.4	28.3	-34.8	0	0	0	112.1	I516 L521 F541 T547 I550	I516-P545 HydrophobicContact CD1-CG 4.35Å; I516-P545 HydrophobicContact CG1-CB 4.13Å; I516-P545 HydrophobicContact CG1-CG 4.46Å; L521-P545 HydrophobicContact CD1-CB 3.53Å; L521-P545 HydrophobicContact CD1-CG 3.96Å; F541-P545 HydrophobicContact CD2-CG 4.48Å; F541-P545 HydrophobicContact CE2-CG 4.25Å; P545-T547 PolarHBondContact O-N 3.11Å; P545-I550 HydrophobicContact CB-CG1 4.49Å; P545-I550 HydrophobicContact CG-CD1 3.47Å; P545-I550 VanDerWaalsContact CG-CD1 3.47Å; P545-I550 HydrophobicContact CG-CG1 3.83Å
546	P	91.4	Very high	91.8	Very high	59 Å²	59	45 Å²	45	38%	0.383	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-56.6	132.9	170.9	-22.8	33.2	0	0	0	111.6	A548 S549 I550	P546-A548 PolarHBondContact O-N 3.32Å; P546-S549 WeakPolarHBondContact O-CB 3.35Å; P546-S549 PolarHBondContact O-N 3.48Å; P546-I550 PolarHBondContact O-N 2.97Å
547	T	91.7	Very high	91.9	Very high	90 Å²	90	44.9 Å²	44.9	55%	0.552	27%	0.269	S	S	*	.	H	α-helix	trans	-53.3	-41.7	177.6	27.7	0	0	0	0	112.4	L537 P545 S549 I550 Q551	L537-T547 HydrophobicContact CD2-CG2 3.74Å; P545-T547 PolarHBondContact O-N 3.11Å; T547-S549 VanDerWaalsContact C-N 3.3Å; T547-S549 PolarHBondContact O-N 2.94Å; T547-I550 PolarHBondContact O-N 2.67Å; T547-Q551 WeakPolarHBondContact O-CG 3.43Å; T547-Q551 PolarHBondContact O-N 3.44Å
548	A	89.9	Confident	91.9	Very high	53 Å²	53	44.6 Å²	44.6	44%	0.438	26%	0.264	S	S	.	.	H	α-helix	trans	-58.5	-40.1	176.6	0	0	0	0	0	112.3	P546 Q551 T552	P546-A548 PolarHBondContact O-N 3.32Å; A548-Q551 PolarHBondContact O-N 3.24Å; A548-T552 WeakPolarHBondContact O-CB 3.49Å; A548-T552 PolarHBondContact O-N 3.06Å; A548-T552 PolarHBondContact O-OG1 3.18Å
549	S	92	Very high	91.8	Very high	17 Å²	17	43.2 Å²	43.2	12%	0.119	25%	0.247	C	C	.	.	H	α-helix	trans	-66.8	-39.8	179.5	-59.4	0	0	0	0	112.2	P464 P546 T547 A553	P464-S549 WeakPolarHBondContact CG-OG 3.48Å; P546-S549 WeakPolarHBondContact O-CB 3.35Å; P546-S549 PolarHBondContact O-N 3.48Å; T547-S549 VanDerWaalsContact C-N 3.3Å; T547-S549 PolarHBondContact O-N 2.94Å; S549-A553 WeakPolarHBondContact O-CB 3.46Å; S549-A553 PolarHBondContact O-N 2.9Å
550	I	92.9	Very high	91.6	Very high	8 Å²	8	42.4 Å²	42.4	4%	0.041	24%	0.244	C	C	.	.	H	α-helix	trans	-64.7	-47.9	174.1	-69.2	175.8	0	0	0	110.3	L521 P536 L537 P545 P546 T547 T552 A553 V554	L521-I550 HydrophobicContact CD1-CG1 4Å; P536-I550 HydrophobicContact CB-CD1 4.42Å; P536-I550 HydrophobicContact CB-CG2 4.01Å; L537-I550 HydrophobicContact CD2-CB 4.11Å; L537-I550 HydrophobicContact CD2-CD1 3.77Å; L537-I550 HydrophobicContact CD2-CG2 4.01Å; L537-I550 HydrophobicContact CG-CG2 4.27Å; P545-I550 HydrophobicContact CB-CG1 4.49Å; P545-I550 HydrophobicContact CG-CD1 3.47Å; P545-I550 VanDerWaalsContact CG-CD1 3.47Å; P545-I550 HydrophobicContact CG-CG1 3.83Å; P546-I550 PolarHBondContact O-N 2.97Å; T547-I550 PolarHBondContact O-N 2.67Å; I550-T552 VanDerWaalsContact C-N 3.34Å; I550-T552 PolarHBondContact O-N 3.37Å; I550-A553 WeakPolarHBondContact O-CB 3.25Å; I550-A553 PolarHBondContact O-N 2.9Å; I550-A553 VanDerWaalsContact O-N 3.15Å; I550-V554 HydrophobicContact CG2-CG2 4.34Å; I550-V554 WeakPolarHBondContact O-CG2 3.27Å; I550-V554 PolarHBondContact O-N 2.77Å
551	Q	92.1	Very high	91.5	Very high	114 Å²	114	41.1 Å²	41.1	53%	0.533	24%	0.243	S	C	.	.	H	α-helix	trans	-60.3	-44.5	-179.6	-73	174.5	-15.5	0	0	111.6	T547 A548 A553 V554 T555	T547-Q551 WeakPolarHBondContact O-CG 3.43Å; T547-Q551 PolarHBondContact O-N 3.44Å; A548-Q551 PolarHBondContact O-N 3.24Å; Q551-A553 VanDerWaalsContact C-N 3.34Å; Q551-A553 PolarHBondContact O-N 3.46Å; Q551-V554 PolarHBondContact O-N 3.47Å; Q551-T555 PolarHBondContact O-N 3.09Å; Q551-T555 PolarHBondContact O-OG1 2.8Å; Q551-T555 VanDerWaalsContact O-OG1 3.09Å
552	T	91.4	Very high	91.5	Very high	45 Å²	45	40.2 Å²	40.2	28%	0.276	24%	0.239	S	C	.	.	H	α-helix	trans	-59.5	-43.9	174.2	-61.9	0	0	0	0	111.7	P464 A548 I550 T555 Y556	P464-T552 HydrophobicContact CB-CG2 4.21Å; P464-T552 WeakPolarHBondContact O-CG2 3.31Å; A548-T552 WeakPolarHBondContact O-CB 3.49Å; A548-T552 PolarHBondContact O-N 3.06Å; A548-T552 PolarHBondContact O-OG1 3.18Å; I550-T552 VanDerWaalsContact C-N 3.34Å; I550-T552 PolarHBondContact O-N 3.37Å; T552-T555 PolarHBondContact O-N 3.49Å; T552-Y556 WeakPolarHBondContact O-CB 3.34Å; T552-Y556 PolarHBondContact O-N 3.42Å
553	A	92.9	Very high	91.5	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.008	24%	0.236	C	C	.	.	H	α-helix	trans	-62.6	-42.8	177.4	0	0	0	0	0	112	L521 V525 S549 I550 Q551 Y556 L557	L521-A553 HydrophobicContact CB-CB 4.16Å; V525-A553 HydrophobicContact CG2-CB 4.03Å; S549-A553 WeakPolarHBondContact O-CB 3.46Å; S549-A553 PolarHBondContact O-N 2.9Å; I550-A553 WeakPolarHBondContact O-CB 3.25Å; I550-A553 PolarHBondContact O-N 2.9Å; I550-A553 VanDerWaalsContact O-N 3.15Å; Q551-A553 VanDerWaalsContact C-N 3.34Å; Q551-A553 PolarHBondContact O-N 3.46Å; A553-Y556 PolarHBondContact O-N 3.46Å; A553-L557 WeakPolarHBondContact O-CB 3.41Å; A553-L557 VanDerWaalsContact O-CG 3.28Å; A553-L557 WeakPolarHBondContact O-CG 3.42Å; A553-L557 PolarHBondContact O-N 3.24Å
554	V	93.5	Very high	91.5	Very high	31 Å²	31	39.3 Å²	39.3	19%	0.188	23%	0.234	C	C	.	.	H	α-helix	trans	-62.4	-48	175.7	171.8	0	0	0	0	111.1	V525 I550 Q551 Y556 L557 K558 L563	V525-V554 HydrophobicContact CG1-CG2 3.9Å; I550-V554 HydrophobicContact CG2-CG2 4.34Å; I550-V554 WeakPolarHBondContact O-CG2 3.27Å; I550-V554 PolarHBondContact O-N 2.77Å; Q551-V554 PolarHBondContact O-N 3.47Å; V554-Y556 VanDerWaalsContact C-N 3.31Å; V554-Y556 PolarHBondContact O-N 3.37Å; V554-L557 PolarHBondContact O-N 3.24Å; V554-K558 HydrophobicContact CG1-CD 4.48Å; V554-K558 WeakPolarHBondContact O-CG 3.02Å; V554-K558 PolarHBondContact O-N 2.95Å; V554-L563 HydrophobicContact CG1-CD1 4.29Å
555	T	91.6	Very high	91.3	Very high	78 Å²	78	40.1 Å²	40.1	48%	0.479	24%	0.242	S	C	.	.	H	α-helix	trans	-58.6	-45.6	176.9	-61.7	0	0	0	0	110.9	Q551 T552 L557 K558 E559	Q551-T555 PolarHBondContact O-N 3.09Å; Q551-T555 PolarHBondContact O-OG1 2.8Å; Q551-T555 VanDerWaalsContact O-OG1 3.09Å; T552-T555 PolarHBondContact O-N 3.49Å; T555-L557 PolarHBondContact O-N 2.95Å; T555-K558 WeakPolarHBondContact O-CB 3.31Å; T555-K558 PolarHBondContact O-N 3.3Å; T555-E559 WeakPolarHBondContact O-CG 3.48Å; T555-E559 PolarHBondContact O-N 3.48Å
556	Y	90.8	Very high	91	Very high	12 Å²	12	49.3 Å²	49.3	5%	0.047	28%	0.275	C	S	.	.	H	α-helix	trans	-61.6	-43.2	177.2	172.4	-107.1	0	0	0	112.5	K467 D522 T552 A553 V554 K558 E559 Q560 V583 V584	K467-Y556 HydrophobicContact CD-CD2 4.3Å; K467-Y556 HydrophobicContact CD-CE2 4.49Å; K467-Y556 VanDerWaalsContact NZ-CD1 3.34Å; K467-Y556 VanDerWaalsContact NZ-CG 3.35Å; K467-Y556 PolarHBondContact NZ-OH 2.86Å; D522-Y556 HydrophobicContact CB-CD1 3.98Å; D522-Y556 HydrophobicContact CB-CE1 4.17Å; D522-Y556 WeakPolarHBondContact OD2-CD1 3.32Å; D522-Y556 VanDerWaalsContact OD2-CE1 3.31Å; D522-Y556 WeakPolarHBondContact OD2-CE1 3.49Å; T552-Y556 WeakPolarHBondContact O-CB 3.34Å; T552-Y556 PolarHBondContact O-N 3.42Å; A553-Y556 PolarHBondContact O-N 3.46Å; V554-Y556 VanDerWaalsContact C-N 3.31Å; V554-Y556 PolarHBondContact O-N 3.37Å; Y556-K558 VanDerWaalsContact C-N 3.28Å; Y556-K558 PolarHBondContact O-N 2.98Å; Y556-E559 PolarHBondContact O-N 3.01Å; Y556-Q560 HydrophobicContact CD1-CG 4.35Å; Y556-Q560 HydrophobicContact CD2-CG 4.23Å; Y556-Q560 HydrophobicContact CE1-CG 3.75Å; Y556-Q560 HydrophobicContact CE2-CG 3.59Å; Y556-Q560 WeakPolarHBondContact O-CG 3.34Å; Y556-Q560 PolarHBondContact O-N 3.19Å; Y556-Q560 PolarHBondContact OH-NE2 2.92Å; Y556-V583 HydrophobicContact CE1-CB 4.48Å; Y556-V584 WeakPolarHBondContact OH-CG2 3.33Å
557	L	93	Very high	90.9	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-65.4	-31.9	177	-71.6	172.1	0	0	0	112.5	V525 L526 A553 V554 T555 Q560 G561 A562 L563 V583	V525-L557 HydrophobicContact CB-CD1 4Å; V525-L557 HydrophobicContact CG1-CD1 3.71Å; L526-L557 HydrophobicContact CB-CD1 4.08Å; L526-L557 HydrophobicContact CB-CD2 4.17Å; L526-L557 HydrophobicContact CD1-CD2 4.4Å; A553-L557 WeakPolarHBondContact O-CB 3.41Å; A553-L557 VanDerWaalsContact O-CG 3.28Å; A553-L557 WeakPolarHBondContact O-CG 3.42Å; A553-L557 PolarHBondContact O-N 3.24Å; V554-L557 PolarHBondContact O-N 3.24Å; T555-L557 PolarHBondContact O-N 2.95Å; L557-Q560 PolarHBondContact O-N 3.01Å; L557-G561 PolarHBondContact O-N 2.9Å; L557-A562 HydrophobicContact CB-CB 4.43Å; L557-A562 HydrophobicContact CD2-CB 4.15Å; L557-A562 PolarHBondContact O-N 3.25Å; L557-L563 HydrophobicContact CB-CB 4.46Å; L557-L563 HydrophobicContact CB-CD1 3.68Å; L557-L563 HydrophobicContact CB-CG 3.81Å; L557-L563 HydrophobicContact CD1-CD1 3.91Å; L557-L563 HydrophobicContact CD1-CG 4.4Å; L557-L563 HydrophobicContact CG-CD1 4.48Å; L557-L563 PolarHBondContact O-N 2.9Å; L557-V583 HydrophobicContact CD2-CG1 4.21Å; L557-V583 HydrophobicContact CD2-CG2 3.79Å
558	K	91.7	Very high	90.9	Very high	78 Å²	78	47.1 Å²	47.1	34%	0.339	26%	0.255	S	S	.	.	H	α-helix	trans	-66.4	-46.9	170.3	-69.5	-177.5	-178.1	-172.8	0	111.4	V554 T555 Y556 Q560 G561 L563 D564 S565	V554-K558 HydrophobicContact CG1-CD 4.48Å; V554-K558 WeakPolarHBondContact O-CG 3.02Å; V554-K558 PolarHBondContact O-N 2.95Å; T555-K558 WeakPolarHBondContact O-CB 3.31Å; T555-K558 PolarHBondContact O-N 3.3Å; Y556-K558 VanDerWaalsContact C-N 3.28Å; Y556-K558 PolarHBondContact O-N 2.98Å; K558-Q560 PolarHBondContact O-N 3.19Å; K558-G561 WeakPolarHBondContact O-CA 3.4Å; K558-G561 PolarHBondContact O-N 2.83Å; K558-L563 HydrophobicContact CG-CB 3.89Å; K558-D564 VanDerWaalsContact CE-O 3.3Å; K558-D564 WeakPolarHBondContact CE-O 3.33Å; K558-D564 WeakPolarHBondContact CG-O 3.48Å; K558-S565 PolarHBondContact NZ-O 3.18Å
559	E	88.3	Confident	91	Very high	57 Å²	57	46.2 Å²	46.2	27%	0.266	24%	0.242	S	C	.	.	H	α-helix	trans	-60.2	-32.3	174.6	-69.9	178.5	159.3	0	0	112.1	T555 Y556 G561 R835	T555-E559 WeakPolarHBondContact O-CG 3.48Å; T555-E559 PolarHBondContact O-N 3.48Å; Y556-E559 PolarHBondContact O-N 3.01Å; E559-G561 PolarHBondContact O-N 3.37Å; E559-R835 IonicContact OE1-NH1 2.72Å
560	Q	89	Confident	90.9	Very high	3 Å²	3	46.8 Å²	46.8	1%	0.014	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-12.4	173.5	-71.5	-56.5	-32.1	0	0	114	Y556 L557 K558 A562 V583 K587 Y812	Y556-Q560 HydrophobicContact CD1-CG 4.35Å; Y556-Q560 HydrophobicContact CD2-CG 4.23Å; Y556-Q560 HydrophobicContact CE1-CG 3.75Å; Y556-Q560 HydrophobicContact CE2-CG 3.59Å; Y556-Q560 WeakPolarHBondContact O-CG 3.34Å; Y556-Q560 PolarHBondContact O-N 3.19Å; Y556-Q560 PolarHBondContact OH-NE2 2.92Å; L557-Q560 PolarHBondContact O-N 3.01Å; K558-Q560 PolarHBondContact O-N 3.19Å; Q560-A562 VanDerWaalsContact C-N 3.26Å; Q560-V583 HydrophobicContact CB-CG1 4.01Å; Q560-V583 HydrophobicContact CG-CG1 3.98Å; Q560-K587 PolarHBondContact O-NZ 3.24Å; Q560-Y812 PolarHBondContact NE2-O 2.98Å
561	G	88.6	Confident	90.6	Very high	31 Å²	31	48 Å²	48	32%	0.32	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.4	11.9	-172.8	0	0	0	0	0	113.8	L557 K558 E559 T570 I572	L557-G561 PolarHBondContact O-N 2.9Å; K558-G561 WeakPolarHBondContact O-CA 3.4Å; K558-G561 PolarHBondContact O-N 2.83Å; E559-G561 PolarHBondContact O-N 3.37Å; G561-T570 WeakPolarHBondContact O-CB 3.39Å; G561-T570 WeakPolarHBondContact O-CG2 3.41Å; G561-T570 PolarHBondContact O-OG1 2.93Å; G561-I572 WeakPolarHBondContact O-CG2 3.45Å
562	A	92.3	Very high	90.4	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.234	C	C	.	.	S	Bend	trans	-77.4	-29.5	176.4	0	0	0	0	0	112	L526 L557 Q560 T570 G573 L576	L526-A562 HydrophobicContact CD1-CB 4.19Å; L557-A562 HydrophobicContact CB-CB 4.43Å; L557-A562 HydrophobicContact CD2-CB 4.15Å; L557-A562 PolarHBondContact O-N 3.25Å; Q560-A562 VanDerWaalsContact C-N 3.26Å; A562-T570 PolarHBondContact O-N 3Å; A562-T570 VanDerWaalsContact O-N 3.11Å; A562-T570 PolarHBondContact O-OG1 3.48Å; A562-G573 WeakPolarHBondContact O-CA 3.38Å; A562-L576 HydrophobicContact CB-CD1 4.03Å
563	L	93.2	Very high	90.4	Very high	4 Å²	4	41.4 Å²	41.4	2%	0.021	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-117	147.7	172	-60.7	178.4	0	0	0	110.7	K529 V554 L557 K558 E568 L569	K529-L563 HydrophobicContact CG-CD2 4.39Å; V554-L563 HydrophobicContact CG1-CD1 4.29Å; L557-L563 HydrophobicContact CB-CB 4.46Å; L557-L563 HydrophobicContact CB-CD1 3.68Å; L557-L563 HydrophobicContact CB-CG 3.81Å; L557-L563 HydrophobicContact CD1-CD1 3.91Å; L557-L563 HydrophobicContact CD1-CG 4.4Å; L557-L563 HydrophobicContact CG-CD1 4.48Å; L557-L563 PolarHBondContact O-N 2.9Å; K558-L563 HydrophobicContact CG-CB 3.89Å; L563-E568 CarbonylContact C-O 3.58Å; L563-E568 VanDerWaalsContact CA-O 3.27Å; L563-E568 WeakPolarHBondContact CA-O 3.48Å; L563-L569 HydrophobicContact CD2-CD2 3.85Å; L563-L569 HydrophobicContact CD2-CG 4.26Å
564	D	90.2	Very high	90.2	Very high	44 Å²	44	47.1 Å²	47.1	24%	0.235	25%	0.246	C	C	.	.			trans	-79.6	-179	172.6	77.5	-0.7	0	0	0	112	K558 R566 G567 E568 T570	K558-D564 VanDerWaalsContact CE-O 3.3Å; K558-D564 WeakPolarHBondContact CE-O 3.33Å; K558-D564 WeakPolarHBondContact CG-O 3.48Å; D564-R566 PolarHBondContact O-N 3.34Å; D564-R566 WeakPolarHBondContact OD1-CA 3.34Å; D564-R566 WeakPolarHBondContact OD1-CB 2.93Å; D564-R566 PolarHBondContact OD1-N 2.91Å; D564-R566 IonicContact OD2-NE 3.57Å; D564-R566 PolarHBondContact OD2-NE 3.22Å; D564-R566 IonicContact OD2-NH2 3.52Å; D564-G567 PolarHBondContact O-N 3.31Å; D564-G567 PolarHBondContact OD1-N 2.83Å; D564-E568 PolarHBondContact N-O 3.07Å; D564-E568 PolarHBondContact OD1-N 3.39Å; D564-T570 HydrophobicContact CB-CG2 4.21Å
565	S	87.5	Confident	89.8	Confident	106 Å²	106	47.1 Å²	47.1	74%	0.741	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-29.8	178.1	54.6	0	0	0	0	113.2	K558 G567	K558-S565 PolarHBondContact NZ-O 3.18Å; S565-G567 VanDerWaalsContact C-N 3.33Å
566	R	88.1	Confident	89.7	Confident	204 Å²	204	43.7 Å²	43.7	77%	0.77	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-12	176.4	-62.7	-178.2	-68.6	-160	-1.3	113.1	D564	D564-R566 PolarHBondContact O-N 3.34Å; D564-R566 WeakPolarHBondContact OD1-CA 3.34Å; D564-R566 WeakPolarHBondContact OD1-CB 2.93Å; D564-R566 PolarHBondContact OD1-N 2.91Å; D564-R566 IonicContact OD2-NE 3.57Å; D564-R566 PolarHBondContact OD2-NE 3.22Å; D564-R566 IonicContact OD2-NH2 3.52Å
567	G	88.4	Confident	89.6	Confident	6 Å²	6	43.7 Å²	43.7	6%	0.062	23%	0.226	C	C	.	.	S	Bend	trans	88.2	20	-178.3	0	0	0	0	0	113.7	K529 D564 S565	K529-G567 WeakPolarHBondContact CE-O 3.37Å; K529-G567 PolarHBondContact NZ-O 2.87Å; D564-G567 PolarHBondContact O-N 3.31Å; D564-G567 PolarHBondContact OD1-N 2.83Å; S565-G567 VanDerWaalsContact C-N 3.33Å
568	E	91	Very high	89.1	Confident	98 Å²	98	47.3 Å²	47.3	46%	0.458	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-98.7	154	177.8	-65.2	-54	121.1	0	0	111.7	K529 L563 D564 T570	K529-E568 IonicContact NZ-OE1 3.24Å; K529-E568 PolarHBondContact NZ-OE1 2.98Å; K529-E568 VanDerWaalsContact NZ-OE1 3.09Å; L563-E568 CarbonylContact C-O 3.58Å; L563-E568 VanDerWaalsContact CA-O 3.27Å; L563-E568 WeakPolarHBondContact CA-O 3.48Å; D564-E568 PolarHBondContact N-O 3.07Å; D564-E568 PolarHBondContact OD1-N 3.39Å; E568-T570 PolarHBondContact O-N 2.96Å
569	L	92.3	Very high	88.5	Confident	33 Å²	33	44.3 Å²	44.3	17%	0.173	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-67.2	125.2	-175.5	-76.2	170.6	0	0	0	112.5	L526 K529 S530 L563 K574	L526-L569 HydrophobicContact CD1-CD2 3.55Å; K529-L569 HydrophobicContact CB-CD1 4.13Å; K529-L569 HydrophobicContact CB-CD2 4.24Å; K529-L569 HydrophobicContact CB-CG 3.99Å; S530-L569 VanDerWaalsContact CA-CD1 3.48Å; L563-L569 HydrophobicContact CD2-CD2 3.85Å; L563-L569 HydrophobicContact CD2-CG 4.26Å; L569-K574 HydrophobicContact CB-CG 4.06Å; L569-K574 HydrophobicContact CD1-CG 4.44Å
570	T	91	Very high	88	Confident	30 Å²	30	43.3 Å²	43.3	18%	0.184	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-76.7	168.6	168.8	67.5	0	0	0	0	110.9	G561 A562 D564 E568 I572 G573 K574	G561-T570 WeakPolarHBondContact O-CB 3.39Å; G561-T570 WeakPolarHBondContact O-CG2 3.41Å; G561-T570 PolarHBondContact O-OG1 2.93Å; A562-T570 PolarHBondContact O-N 3Å; A562-T570 VanDerWaalsContact O-N 3.11Å; A562-T570 PolarHBondContact O-OG1 3.48Å; D564-T570 HydrophobicContact CB-CG2 4.21Å; E568-T570 PolarHBondContact O-N 2.96Å; T570-I572 VanDerWaalsContact C-N 3.29Å; T570-I572 PolarHBondContact O-N 2.74Å; T570-I572 WeakPolarHBondContact OG1-CG2 3.22Å; T570-G573 CarbonylContact O-C 3.51Å; T570-G573 WeakPolarHBondContact O-CA 3.45Å; T570-G573 PolarHBondContact O-N 3.05Å; T570-G573 PolarHBondContact OG1-N 3.04Å; T570-K574 WeakPolarHBondContact O-CG 3.42Å; T570-K574 PolarHBondContact O-N 2.8Å
571	S	86.6	Confident	87.7	Confident	33 Å²	33	44.3 Å²	44.3	23%	0.231	24%	0.235	C	C	.	.	H	α-helix	trans	-60.4	-39.3	175.9	-64.7	0	0	0	0	112.4	K574 L575 Q959	S571-K574 PolarHBondContact O-N 3.25Å; S571-L575 PolarHBondContact O-N 3.34Å; S571-Q959 VanDerWaalsContact OG-CG 3.31Å; S571-Q959 WeakPolarHBondContact OG-CG 3.3Å; S571-Q959 PolarHBondContact OG-NE2 3.34Å
572	I	87.5	Confident	87.5	Confident	20 Å²	20	47.5 Å²	47.5	10%	0.103	25%	0.245	C	C	.	.	H	α-helix	trans	-66.2	-41.1	172.5	-170.3	168.8	0	0	0	110.6	G561 T570 K574 L575 L576 K587 V590 L957	G561-I572 WeakPolarHBondContact O-CG2 3.45Å; T570-I572 VanDerWaalsContact C-N 3.29Å; T570-I572 PolarHBondContact O-N 2.74Å; T570-I572 WeakPolarHBondContact OG1-CG2 3.22Å; I572-K574 VanDerWaalsContact C-N 3.32Å; I572-K574 PolarHBondContact O-N 3.03Å; I572-L575 PolarHBondContact O-N 3.08Å; I572-L575 VanDerWaalsContact O-N 3.16Å; I572-L576 HydrophobicContact CG1-CD1 3.99Å; I572-L576 HydrophobicContact CG1-CG 4.12Å; I572-L576 WeakPolarHBondContact O-CG 3.26Å; I572-L576 PolarHBondContact O-N 3.41Å; I572-K587 HydrophobicContact CD1-CG 4.25Å; I572-V590 HydrophobicContact CD1-CG1 4.32Å; I572-V590 HydrophobicContact CG1-CG1 4.4Å; I572-L957 HydrophobicContact CB-CD1 4Å
573	G	90.6	Very high	87.4	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-56	-42.3	174.8	0	0	0	0	0	113.7	A562 T570 L576 A577	A562-G573 WeakPolarHBondContact O-CA 3.38Å; T570-G573 CarbonylContact O-C 3.51Å; T570-G573 WeakPolarHBondContact O-CA 3.45Å; T570-G573 PolarHBondContact O-N 3.05Å; T570-G573 PolarHBondContact OG1-N 3.04Å; G573-L576 PolarHBondContact O-N 3.46Å; G573-A577 WeakPolarHBondContact O-CB 3.4Å; G573-A577 PolarHBondContact O-N 2.92Å
574	K	88.2	Confident	87.1	Confident	122 Å²	122	48.1 Å²	48.1	53%	0.53	25%	0.248	S	C	.	.	H	α-helix	trans	-60.6	-44.7	175.6	-70.1	178.5	-177.6	-180	0	112.1	L569 T570 S571 I572 Q578	L569-K574 HydrophobicContact CB-CG 4.06Å; L569-K574 HydrophobicContact CD1-CG 4.44Å; T570-K574 WeakPolarHBondContact O-CG 3.42Å; T570-K574 PolarHBondContact O-N 2.8Å; S571-K574 PolarHBondContact O-N 3.25Å; I572-K574 VanDerWaalsContact C-N 3.32Å; I572-K574 PolarHBondContact O-N 3.03Å; K574-Q578 WeakPolarHBondContact O-CG 3.34Å
575	L	85.1	Confident	87.1	Confident	31 Å²	31	46.2 Å²	46.2	16%	0.162	24%	0.238	C	C	.	.	H	α-helix	trans	-65	-45.7	175.7	-69	171.5	0	0	0	111.4	S571 I572 A577 Q578 L579 H690 L692 L957	S571-L575 PolarHBondContact O-N 3.34Å; I572-L575 PolarHBondContact O-N 3.08Å; I572-L575 VanDerWaalsContact O-N 3.16Å; L575-A577 VanDerWaalsContact C-N 3.3Å; L575-A577 PolarHBondContact O-N 3.37Å; L575-Q578 PolarHBondContact O-N 3.24Å; L575-Q578 VanDerWaalsContact O-N 3.09Å; L575-L579 WeakPolarHBondContact O-CG 3.45Å; L575-L579 PolarHBondContact O-N 2.7Å; L575-H690 HydrophobicContact CD2-CB 3.96Å; L575-L692 HydrophobicContact CD1-CD1 4.36Å; L575-L957 HydrophobicContact CD1-CD2 3.52Å
576	L	89.8	Confident	87.2	Confident	5 Å²	5	41.2 Å²	41.2	3%	0.026	20%	0.203	C	C	.	.	H	α-helix	trans	-59.1	-41.2	179.2	-68.1	174.1	0	0	0	111.8	L526 A562 I572 G573 Q578 L579 V583 K587	L526-L576 HydrophobicContact CD2-CB 3.98Å; A562-L576 HydrophobicContact CB-CD1 4.03Å; I572-L576 HydrophobicContact CG1-CD1 3.99Å; I572-L576 HydrophobicContact CG1-CG 4.12Å; I572-L576 WeakPolarHBondContact O-CG 3.26Å; I572-L576 PolarHBondContact O-N 3.41Å; G573-L576 PolarHBondContact O-N 3.46Å; L576-Q578 PolarHBondContact O-N 3.18Å; L576-L579 HydrophobicContact CD2-CD1 4.46Å; L576-L579 PolarHBondContact O-N 3.36Å; L576-L579 VanDerWaalsContact O-N 3.09Å; L576-V583 HydrophobicContact CD1-CG1 4.07Å; L576-K587 HydrophobicContact CD2-CB 4.15Å
577	A	88.4	Confident	87.2	Confident	13 Å²	13	32.5 Å²	32.5	11%	0.107	17%	0.171	C	C	.	.	H	α-helix	trans	-64.3	-19.4	178.8	0	0	0	0	0	114	Q261 L526 S530 G573 L575	Q261-A577 PolarHBondContact NE2-O 3.38Å; L526-A577 HydrophobicContact CD1-CB 4.39Å; L526-A577 HydrophobicContact CD2-CB 4.34Å; L526-A577 HydrophobicContact CG-CB 3.95Å; S530-A577 VanDerWaalsContact CB-CB 3.44Å; G573-A577 WeakPolarHBondContact O-CB 3.4Å; G573-A577 PolarHBondContact O-N 2.92Å; L575-A577 VanDerWaalsContact C-N 3.3Å; L575-A577 PolarHBondContact O-N 3.37Å
578	Q	82.4	Confident	87.3	Confident	75 Å²	75	32.2 Å²	32.2	35%	0.35	17%	0.168	S	C	.	.	H	α-helix	trans	-92.2	-14.1	178.1	-66	169.6	-16.1	0	0	112.3	R258 K574 L575 L576 H690	R258-Q578 VanDerWaalsContact CZ-O 3.28Å; R258-Q578 PolarHBondContact NH1-O 3.02Å; R258-Q578 PolarHBondContact NH2-O 2.9Å; K574-Q578 WeakPolarHBondContact O-CG 3.34Å; L575-Q578 PolarHBondContact O-N 3.24Å; L575-Q578 VanDerWaalsContact O-N 3.09Å; L576-Q578 PolarHBondContact O-N 3.18Å; Q578-H690 PolarHBondContact OE1-CD2 3.44Å; Q578-H690 VanDerWaalsContact OE1-CD2 3.28Å; Q578-H690 PolarHBondContact OE1-NE2 3.07Å
579	L	80.4	Confident	87.2	Confident	15 Å²	15	27.7 Å²	27.7	8%	0.079	15%	0.147	C	C	.	.	S	Bend	trans	-85.9	130.5	179	-63.7	176.7	0	0	0	110.5	L575 L576 V581 V590 L686	L575-L579 WeakPolarHBondContact O-CG 3.45Å; L575-L579 PolarHBondContact O-N 2.7Å; L576-L579 HydrophobicContact CD2-CD1 4.46Å; L576-L579 PolarHBondContact O-N 3.36Å; L576-L579 VanDerWaalsContact O-N 3.09Å; L579-V581 HydrophobicContact CB-CG2 3.92Å; L579-V581 PolarHBondContact O-N 2.95Å; L579-V590 HydrophobicContact CD1-CG2 4.36Å; L579-L686 HydrophobicContact CD2-CB 4.05Å; L579-L686 HydrophobicContact CD2-CD1 4.01Å
580	P	76.9	Confident	86.9	Confident	37 Å²	37	26.2 Å²	26.2	24%	0.24	14%	0.14	C	C	.	.	S	Bend	trans	-83.4	49.6	-179.2	33.5	-31.6	0	0	0	111.9	R237 L686	R237-P580 PolarHBondContact NH1-O 3.44Å; R237-P580 PolarHBondContact NH2-O 2.87Å; P580-L686 HydrophobicContact CG-CD1 4.21Å
581	V	82.9	Confident	86.6	Confident	24 Å²	24	24.9 Å²	24.9	15%	0.145	13%	0.131	C	C	.	.	S	Bend	trans	-142.8	165	-179	-67.8	0	0	0	0	110.2	L579 I585 L589 F683	L579-V581 HydrophobicContact CB-CG2 3.92Å; L579-V581 PolarHBondContact O-N 2.95Å; V581-I585 HydrophobicContact CB-CB 4.1Å; V581-I585 HydrophobicContact CB-CG2 4.06Å; V581-I585 HydrophobicContact CG1-CG2 4.2Å; V581-I585 HydrophobicContact CG2-CB 4.2Å; V581-I585 HydrophobicContact CG2-CG2 4.15Å; V581-L589 HydrophobicContact CG2-CD1 4.5Å; V581-F683 HydrophobicContact CG1-CE1 3.36Å; V581-F683 HydrophobicContact CG1-CE2 4.31Å; V581-F683 HydrophobicContact CG1-CZ 3.21Å
582	D	85.1	Confident	86.6	Confident	98 Å²	98	23.3 Å²	23.3	52%	0.524	12%	0.12	S	C	.	.			trans	-60.5	150	172.1	-63.7	-26.1	0	0	0	111.2	V584 I585 G586	D582-V584 PolarHBondContact O-N 3.44Å; D582-V584 VanDerWaalsContact O-N 3.15Å; D582-I585 PolarHBondContact O-N 3.36Å; D582-G586 PolarHBondContact O-N 2.94Å
583	V	88.9	Confident	86.2	Confident	6 Å²	6	23.1 Å²	23.1	4%	0.036	12%	0.121	C	C	.	.	H	α-helix	trans	-50.2	-44.5	-174	-177.8	0	0	0	0	112.1	L526 Y556 L557 Q560 L576 G586 K587	L526-V583 HydrophobicContact CD2-CG2 4.07Å; Y556-V583 HydrophobicContact CE1-CB 4.48Å; L557-V583 HydrophobicContact CD2-CG1 4.21Å; L557-V583 HydrophobicContact CD2-CG2 3.79Å; Q560-V583 HydrophobicContact CB-CG1 4.01Å; Q560-V583 HydrophobicContact CG-CG1 3.98Å; L576-V583 HydrophobicContact CD1-CG1 4.07Å; V583-G586 PolarHBondContact O-N 3.44Å; V583-K587 VanDerWaalsContact O-CB 3.29Å; V583-K587 WeakPolarHBondContact O-CB 3.3Å; V583-K587 PolarHBondContact O-N 2.93Å
584	V	88.8	Confident	85.6	Confident	10 Å²	10	23.7 Å²	23.7	6%	0.061	12%	0.124	C	C	.	.	H	α-helix	trans	-58	-50.1	177.4	169.3	0	0	0	0	111.8	Y556 D582 K587 M588 G810 L811	Y556-V584 WeakPolarHBondContact OH-CG2 3.33Å; D582-V584 PolarHBondContact O-N 3.44Å; D582-V584 VanDerWaalsContact O-N 3.15Å; V584-K587 PolarHBondContact O-N 3.23Å; V584-M588 HydrophobicContact CG1-CE 3.66Å; V584-M588 WeakPolarHBondContact O-CG 3.43Å; V584-M588 PolarHBondContact O-N 3.23Å; V584-G810 WeakPolarHBondContact CG1-O 3.43Å; V584-L811 HydrophobicContact CG1-CD2 3.43Å; V584-L811 VanDerWaalsContact CG1-CD2 3.43Å; V584-L811 HydrophobicContact CG1-CG 4.14Å
585	I	88.7	Confident	84.9	Confident	4 Å²	4	18.9 Å²	18.9	2%	0.021	10%	0.103	C	C	.	.	H	α-helix	trans	-68.5	-41.5	-178.1	-60.2	177.4	0	0	0	109.9	V581 D582 K587 M588 L589 A605 L608	V581-I585 HydrophobicContact CB-CB 4.1Å; V581-I585 HydrophobicContact CB-CG2 4.06Å; V581-I585 HydrophobicContact CG1-CG2 4.2Å; V581-I585 HydrophobicContact CG2-CB 4.2Å; V581-I585 HydrophobicContact CG2-CG2 4.15Å; D582-I585 PolarHBondContact O-N 3.36Å; I585-K587 VanDerWaalsContact C-N 3.28Å; I585-K587 PolarHBondContact O-N 3.31Å; I585-M588 WeakPolarHBondContact O-CB 3.4Å; I585-M588 PolarHBondContact O-N 3.22Å; I585-L589 WeakPolarHBondContact O-CG 3.29Å; I585-L589 PolarHBondContact O-N 3.34Å; I585-A605 HydrophobicContact CG2-CB 3.62Å; I585-L608 HydrophobicContact CD1-CB 4.02Å
586	G	89.7	Confident	84.4	Confident	1 Å²	1	24.4 Å²	24.4	1%	0.01	13%	0.133	C	C	.	.	H	α-helix	trans	-59.1	-42.2	174.7	0	0	0	0	0	111.7	D582 V583 L589 V590	D582-G586 PolarHBondContact O-N 2.94Å; V583-G586 PolarHBondContact O-N 3.44Å; G586-L589 WeakPolarHBondContact O-CB 3.43Å; G586-L589 PolarHBondContact O-N 2.82Å; G586-V590 WeakPolarHBondContact O-CG2 3.35Å; G586-V590 PolarHBondContact O-N 2.88Å
587	K	89.4	Confident	84.1	Confident	21 Å²	21	24.4 Å²	24.4	9%	0.091	13%	0.133	C	C	.	.	H	α-helix	trans	-66.4	-41.3	178.7	-176.9	172.8	172.6	179.1	0	111.3	Q560 I572 L576 V583 V584 I585 L589 V590 L591 R809	Q560-K587 PolarHBondContact O-NZ 3.24Å; I572-K587 HydrophobicContact CD1-CG 4.25Å; L576-K587 HydrophobicContact CD2-CB 4.15Å; V583-K587 VanDerWaalsContact O-CB 3.29Å; V583-K587 WeakPolarHBondContact O-CB 3.3Å; V583-K587 PolarHBondContact O-N 2.93Å; V584-K587 PolarHBondContact O-N 3.23Å; I585-K587 VanDerWaalsContact C-N 3.28Å; I585-K587 PolarHBondContact O-N 3.31Å; K587-L589 VanDerWaalsContact C-N 3.33Å; K587-L589 PolarHBondContact O-N 3.02Å; K587-V590 PolarHBondContact O-N 2.78Å; K587-L591 HydrophobicContact CG-CD1 3.96Å; K587-L591 HydrophobicContact CG-CG 4.37Å; K587-L591 WeakPolarHBondContact O-CB 3.47Å; K587-L591 VanDerWaalsContact O-CG 3.24Å; K587-L591 WeakPolarHBondContact O-CG 3.38Å; K587-L591 PolarHBondContact O-N 3.44Å; K587-R809 WeakPolarHBondContact CE-O 3.31Å
588	M	90.2	Very high	84	Confident	1 Å²	1	24.6 Å²	24.6	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-56.6	-46.4	171.5	-68.3	171.4	-177.1	0	0	111.6	V584 I585 V590 L591 G592 V601 L608 L806 L807 L811	V584-M588 HydrophobicContact CG1-CE 3.66Å; V584-M588 WeakPolarHBondContact O-CG 3.43Å; V584-M588 PolarHBondContact O-N 3.23Å; I585-M588 WeakPolarHBondContact O-CB 3.4Å; I585-M588 PolarHBondContact O-N 3.22Å; M588-V590 PolarHBondContact O-N 2.95Å; M588-L591 PolarHBondContact O-N 3.19Å; M588-G592 PolarHBondContact O-N 2.8Å; M588-V601 HydrophobicContact CB-CG1 4.32Å; M588-V601 WeakPolarHBondContact O-CG1 3.18Å; M588-L608 HydrophobicContact SD-CD1 4.45Å; M588-L806 HydrophobicContact CB-CD2 4.36Å; M588-L807 HydrophobicContact CE-CD2 4.08Å; M588-L807 HydrophobicContact CG-CD2 4.31Å; M588-L807 HydrophobicContact SD-CD2 3.73Å; M588-L811 HydrophobicContact CE-CD1 3.96Å; M588-L811 HydrophobicContact CE-CD2 3.59Å; M588-L811 HydrophobicContact CE-CG 3.4Å
589	L	88.6	Confident	84.3	Confident	2 Å²	2	22.8 Å²	22.8	1%	0.01	12%	0.124	C	C	.	.	H	α-helix	trans	-60.7	-44.5	179.5	-72.1	171.1	0	0	0	112.3	V581 I585 G586 K587 G592 V601 L602 A605 F683 L687	V581-L589 HydrophobicContact CG2-CD1 4.5Å; I585-L589 WeakPolarHBondContact O-CG 3.29Å; I585-L589 PolarHBondContact O-N 3.34Å; G586-L589 WeakPolarHBondContact O-CB 3.43Å; G586-L589 PolarHBondContact O-N 2.82Å; K587-L589 VanDerWaalsContact C-N 3.33Å; K587-L589 PolarHBondContact O-N 3.02Å; L589-G592 PolarHBondContact O-N 3.14Å; L589-V601 HydrophobicContact CD2-CG1 4.38Å; L589-L602 HydrophobicContact CD2-CD2 3.77Å; L589-A605 HydrophobicContact CD1-CB 4.3Å; L589-A605 HydrophobicContact CD2-CB 3.57Å; L589-A605 HydrophobicContact CG-CB 3.84Å; L589-F683 HydrophobicContact CD1-CB 3.98Å; L589-F683 HydrophobicContact CD1-CD1 3.84Å; L589-F683 HydrophobicContact CD1-CD2 3.94Å; L589-F683 HydrophobicContact CD1-CE1 4.31Å; L589-F683 HydrophobicContact CD1-CE2 4.37Å; L589-F683 HydrophobicContact CD1-CG 3.66Å; L589-F683 HydrophobicContact CD2-CB 3.97Å; L589-F683 HydrophobicContact CD2-CD2 4.15Å; L589-F683 HydrophobicContact CD2-CG 4.22Å; L589-L687 HydrophobicContact CB-CD2 4.37Å
590	V	86.3	Confident	84.8	Confident	3 Å²	3	22.4 Å²	22.4	2%	0.018	12%	0.123	C	C	.	.	H	α-helix	trans	-64.1	-47.9	177.1	175.2	0	0	0	0	110.3	I572 L579 G586 K587 M588 G592 S593 L692 L957	I572-V590 HydrophobicContact CD1-CG1 4.32Å; I572-V590 HydrophobicContact CG1-CG1 4.4Å; L579-V590 HydrophobicContact CD1-CG2 4.36Å; G586-V590 WeakPolarHBondContact O-CG2 3.35Å; G586-V590 PolarHBondContact O-N 2.88Å; K587-V590 PolarHBondContact O-N 2.78Å; M588-V590 PolarHBondContact O-N 2.95Å; V590-G592 VanDerWaalsContact C-N 3.28Å; V590-G592 PolarHBondContact O-N 2.86Å; V590-S593 PolarHBondContact O-N 2.86Å; V590-S593 PolarHBondContact O-OG 2.53Å; V590-L692 HydrophobicContact CG2-CD1 4.43Å; V590-L957 HydrophobicContact CG1-CD2 4.27Å
591	L	85.1	Confident	85.6	Confident	1 Å²	1	20.8 Å²	20.8	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-64.3	-33.1	178.4	-66.6	173.7	0	0	0	112.4	K587 M588 S593 L594 L806 R809 L953	K587-L591 HydrophobicContact CG-CD1 3.96Å; K587-L591 HydrophobicContact CG-CG 4.37Å; K587-L591 WeakPolarHBondContact O-CB 3.47Å; K587-L591 VanDerWaalsContact O-CG 3.24Å; K587-L591 WeakPolarHBondContact O-CG 3.38Å; K587-L591 PolarHBondContact O-N 3.44Å; M588-L591 PolarHBondContact O-N 3.19Å; L591-S593 PolarHBondContact O-N 2.81Å; L591-L594 HydrophobicContact CD2-CD1 3.99Å; L591-L594 WeakPolarHBondContact O-CB 3.22Å; L591-L594 PolarHBondContact O-N 3.39Å; L591-L594 VanDerWaalsContact O-N 3.07Å; L591-L806 HydrophobicContact CB-CD1 4.27Å; L591-L806 HydrophobicContact CB-CD2 4.08Å; L591-L806 HydrophobicContact CB-CG 3.91Å; L591-R809 HydrophobicContact CD1-CB 4.09Å; L591-R809 HydrophobicContact CD1-CG 3.84Å; L591-L953 HydrophobicContact CD2-CD1 4.3Å; L591-L953 HydrophobicContact CD2-CD2 4.49Å
592	G	84.8	Confident	86	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-56.8	-30.1	176.8	0	0	0	0	0	113.7	M588 L589 V590 L594 V598	M588-G592 PolarHBondContact O-N 2.8Å; L589-G592 PolarHBondContact O-N 3.14Å; V590-G592 VanDerWaalsContact C-N 3.28Å; V590-G592 PolarHBondContact O-N 2.86Å; G592-L594 VanDerWaalsContact C-N 3.27Å; G592-L594 PolarHBondContact O-N 2.82Å; G592-V598 VanDerWaalsContact O-CG2 3.32Å; G592-V598 WeakPolarHBondContact O-CG2 3.36Å; G592-V598 PolarHBondContact O-N 3.23Å
593	S	80.4	Confident	86.4	Confident	17 Å²	17	15 Å²	15	12%	0.119	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-17.6	177.8	71	0	0	0	0	114.6	V590 L591 L692 Q956	V590-S593 PolarHBondContact O-N 2.86Å; V590-S593 PolarHBondContact O-OG 2.53Å; L591-S593 PolarHBondContact O-N 2.81Å; S593-L692 WeakPolarHBondContact CB-O 3.38Å; S593-Q956 PolarHBondContact OG-NE2 3.34Å; S593-Q956 VanDerWaalsContact OG-NE2 3.11Å
594	L	76.5	Confident	86.6	Confident	12 Å²	12	14.8 Å²	14.8	6%	0.063	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-45	179.3	-72.3	164.3	0	0	0	112.6	L591 G592 L953 Q956 M972	L591-L594 HydrophobicContact CD2-CD1 3.99Å; L591-L594 WeakPolarHBondContact O-CB 3.22Å; L591-L594 PolarHBondContact O-N 3.39Å; L591-L594 VanDerWaalsContact O-N 3.07Å; G592-L594 VanDerWaalsContact C-N 3.27Å; G592-L594 PolarHBondContact O-N 2.82Å; L594-L953 HydrophobicContact CD1-CD1 3.84Å; L594-Q956 HydrophobicContact CD2-CB 4.37Å; L594-M972 HydrophobicContact CB-CE 3.63Å; L594-M972 HydrophobicContact CD2-CE 3.71Å; L594-M972 HydrophobicContact CG-CE 4.3Å; L594-M972 WeakPolarHBondContact O-CE 3.47Å
595	F	74.9	Confident	86.8	Confident	20 Å²	20	14.3 Å²	14.3	9%	0.088	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	20.5	-163.7	-63.6	-74	0	0	0	114.6	L597 L806 W949 L975 L979	F595-L597 HydrophobicContact CB-CD1 4.15Å; F595-L597 HydrophobicContact CB-CG 4.31Å; F595-L597 PolarHBondContact O-N 2.8Å; F595-L806 HydrophobicContact CD2-CD1 4.04Å; F595-W949 AromaticContact CE2-CE2 3.8Å; F595-W949 AromaticContact CE2-CZ2 3.71Å; F595-W949 HydrophobicContact CE2-CZ2 3.71Å; F595-W949 AromaticContact CE2-NE1 3.79Å; F595-W949 HydrophobicContact CZ-CD2 4.26Å; F595-W949 AromaticContact CZ-CE2 3.74Å; F595-W949 HydrophobicContact CZ-CZ2 4.02Å; F595-W949 AromaticContact CZ-NE1 3.72Å; F595-L975 HydrophobicContact CE1-CD2 4.11Å; F595-L975 HydrophobicContact CE1-CG 4.41Å; F595-L975 HydrophobicContact CZ-CD2 4.23Å; F595-L979 HydrophobicContact CE1-CD1 3.74Å; F595-L979 HydrophobicContact CZ-CD1 3.77Å
596	N	73.7	Confident	87	Confident	147 Å²	147	14.1 Å²	14.1	79%	0.786	8%	0.075	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.3	25.8	-172	-161.5	31.3	0	0	0	113.6
597	L	84.4	Confident	87.1	Confident	5 Å²	5	14.2 Å²	14.2	3%	0.026	8%	0.076	C	C	.	.			trans	-104	24.9	178.4	-70.4	173.5	0	0	0	111.3	F595 E599 P600 V601 H799 L802 L803	F595-L597 HydrophobicContact CB-CD1 4.15Å; F595-L597 HydrophobicContact CB-CG 4.31Å; F595-L597 PolarHBondContact O-N 2.8Å; L597-E599 PolarHBondContact O-N 3.28Å; L597-P600 HydrophobicContact CB-CG 4.18Å; L597-P600 HydrophobicContact CD2-CG 4.07Å; L597-P600 VanDerWaalsContact O-CD 3.28Å; L597-P600 WeakPolarHBondContact O-CD 3.44Å; L597-P600 WeakPolarHBondContact O-CG 3.35Å; L597-V601 HydrophobicContact CB-CG2 4.4Å; L597-V601 VanDerWaalsContact O-CB 3.31Å; L597-V601 WeakPolarHBondContact O-CB 3.47Å; L597-V601 WeakPolarHBondContact O-CG2 3.44Å; L597-V601 PolarHBondContact O-N 3.17Å; L597-V601 VanDerWaalsContact O-N 3.15Å; L597-H799 HydrophobicContact CD2-CB 4.11Å; L597-L802 HydrophobicContact CD1-CB 3.68Å; L597-L803 HydrophobicContact CD1-CB 4.25Å
598	V	86.6	Confident	87.2	Confident	17 Å²	17	14.4 Å²	14.4	10%	0.103	8%	0.078	C	C	.	.	H	α-helix	trans	-60.1	-46.3	-175.6	176.9	0	0	0	0	110.8	G592 V601 L602 L687 V693	G592-V598 VanDerWaalsContact O-CG2 3.32Å; G592-V598 WeakPolarHBondContact O-CG2 3.36Å; G592-V598 PolarHBondContact O-N 3.23Å; V598-V601 PolarHBondContact O-N 3.23Å; V598-L602 HydrophobicContact CG1-CD1 3.57Å; V598-L602 HydrophobicContact CG1-CG 3.94Å; V598-L602 VanDerWaalsContact O-CB 3.28Å; V598-L602 WeakPolarHBondContact O-CB 3.31Å; V598-L602 WeakPolarHBondContact O-CG 3.2Å; V598-L602 PolarHBondContact O-N 2.94Å; V598-L687 HydrophobicContact CG1-CD1 4.31Å; V598-V693 HydrophobicContact CG1-CG2 4.02Å; V598-V693 HydrophobicContact CG2-CG2 4.23Å
599	E	88.3	Confident	87.1	Confident	38 Å²	38	16.5 Å²	16.5	18%	0.178	9%	0.093	C	C	.	.	H	α-helix	trans	-62.1	-52.8	-177.5	-60.9	-61.3	156.2	0	0	113	L597 V601 L602 T603 R680 K684	L597-E599 PolarHBondContact O-N 3.28Å; E599-V601 VanDerWaalsContact C-N 3.35Å; E599-V601 PolarHBondContact O-N 2.96Å; E599-L602 PolarHBondContact O-N 2.88Å; E599-T603 PolarHBondContact O-N 3.27Å; E599-R680 PolarHBondContact O-NH1 3.47Å; E599-R680 IonicContact OE2-CZ 2.73Å; E599-R680 VanDerWaalsContact OE2-CZ 3.26Å; E599-R680 IonicContact OE2-NE 3.52Å; E599-R680 IonicContact OE2-NH2 3.18Å; E599-R680 PolarHBondContact OE2-NH2 3.49Å; E599-K684 IonicContact OE1-NZ 2.66Å; E599-K684 PolarHBondContact OE1-NZ 3.36Å
600	P	91.6	Very high	87	Confident	7 Å²	7	17.4 Å²	17.4	5%	0.045	10%	0.098	C	C	.	.	H	α-helix	trans	-63.8	-38.8	177.2	22.6	-32.7	0	0	0	112.6	L597 L602 T603 I604 L642 L795 L803	L597-P600 HydrophobicContact CB-CG 4.18Å; L597-P600 HydrophobicContact CD2-CG 4.07Å; L597-P600 VanDerWaalsContact O-CD 3.28Å; L597-P600 WeakPolarHBondContact O-CD 3.44Å; L597-P600 WeakPolarHBondContact O-CG 3.35Å; P600-L602 PolarHBondContact O-N 2.99Å; P600-T603 PolarHBondContact O-N 3.42Å; P600-I604 WeakPolarHBondContact O-CG1 3.37Å; P600-I604 PolarHBondContact O-N 2.83Å; P600-L642 HydrophobicContact CB-CD1 4.37Å; P600-L642 HydrophobicContact CB-CD2 3.96Å; P600-L795 HydrophobicContact CB-CD1 4.48Å; P600-L795 HydrophobicContact CG-CD2 4.28Å; P600-L803 HydrophobicContact CB-CD2 4.03Å
601	V	92.3	Very high	86.9	Confident	2 Å²	2	21.8 Å²	21.8	1%	0.012	12%	0.118	C	C	.	.	H	α-helix	trans	-64.5	-39	178.4	172.5	0	0	0	0	111.6	M588 L589 L597 V598 E599 T603 I604 A605 L803 L806	M588-V601 HydrophobicContact CB-CG1 4.32Å; M588-V601 WeakPolarHBondContact O-CG1 3.18Å; L589-V601 HydrophobicContact CD2-CG1 4.38Å; L597-V601 HydrophobicContact CB-CG2 4.4Å; L597-V601 VanDerWaalsContact O-CB 3.31Å; L597-V601 WeakPolarHBondContact O-CB 3.47Å; L597-V601 WeakPolarHBondContact O-CG2 3.44Å; L597-V601 PolarHBondContact O-N 3.17Å; L597-V601 VanDerWaalsContact O-N 3.15Å; V598-V601 PolarHBondContact O-N 3.23Å; E599-V601 VanDerWaalsContact C-N 3.35Å; E599-V601 PolarHBondContact O-N 2.96Å; V601-T603 VanDerWaalsContact C-N 3.35Å; V601-T603 PolarHBondContact O-N 2.97Å; V601-I604 PolarHBondContact O-N 3.04Å; V601-A605 WeakPolarHBondContact O-CB 3.43Å; V601-A605 PolarHBondContact O-N 2.98Å; V601-L803 HydrophobicContact CG2-CD1 3.53Å; V601-L806 HydrophobicContact CG1-CD2 4.5Å; V601-L806 HydrophobicContact CG2-CD1 4.29Å; V601-L806 HydrophobicContact CG2-CD2 3.93Å
602	L	91.7	Very high	86.9	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-61.8	-40.3	175.8	-77.8	171	0	0	0	112.3	L589 V598 E599 P600 A606 R680 F683 K684 L687	L589-L602 HydrophobicContact CD2-CD2 3.77Å; V598-L602 HydrophobicContact CG1-CD1 3.57Å; V598-L602 HydrophobicContact CG1-CG 3.94Å; V598-L602 VanDerWaalsContact O-CB 3.28Å; V598-L602 WeakPolarHBondContact O-CB 3.31Å; V598-L602 WeakPolarHBondContact O-CG 3.2Å; V598-L602 PolarHBondContact O-N 2.94Å; E599-L602 PolarHBondContact O-N 2.88Å; P600-L602 PolarHBondContact O-N 2.99Å; L602-A606 VanDerWaalsContact O-CB 3.25Å; L602-A606 WeakPolarHBondContact O-CB 3.29Å; L602-A606 PolarHBondContact O-N 3.03Å; L602-R680 HydrophobicContact CB-CG 3.86Å; L602-F683 HydrophobicContact CD2-CB 3.34Å; L602-K684 HydrophobicContact CD1-CB 3.84Å; L602-K684 HydrophobicContact CD1-CD 4.14Å; L602-K684 HydrophobicContact CD1-CG 4.12Å; L602-K684 HydrophobicContact CD2-CB 4.32Å; L602-L687 HydrophobicContact CD2-CD1 4.09Å
603	T	93.1	Very high	87.1	Confident	1 Å²	1	24.8 Å²	24.8	1%	0.006	14%	0.139	C	C	.	.	H	α-helix	trans	-66.3	-48.1	175	-71.3	0	0	0	0	110.4	E599 P600 V601 A605 A606 A607 L642 F645 M676 R680	E599-T603 PolarHBondContact O-N 3.27Å; P600-T603 PolarHBondContact O-N 3.42Å; V601-T603 VanDerWaalsContact C-N 3.35Å; V601-T603 PolarHBondContact O-N 2.97Å; T603-A605 PolarHBondContact O-N 3.04Å; T603-A606 PolarHBondContact O-N 3.48Å; T603-A607 WeakPolarHBondContact O-CB 3.35Å; T603-A607 PolarHBondContact O-N 3.45Å; T603-L642 HydrophobicContact CG2-CB 4.48Å; T603-L642 HydrophobicContact CG2-CD1 3.67Å; T603-F645 HydrophobicContact CG2-CB 3.69Å; T603-F645 HydrophobicContact CG2-CD1 3.64Å; T603-F645 HydrophobicContact CG2-CE1 4.39Å; T603-F645 HydrophobicContact CG2-CG 3.71Å; T603-M676 HydrophobicContact CG2-CE 4.38Å; T603-R680 VanDerWaalsContact N-NH1 3.19Å; T603-R680 PolarHBondContact OG1-NH1 2.85Å
604	I	93.9	Very high	87.4	Confident	1 Å²	1	26.1 Å²	26.1	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-61.3	-48.2	-178.5	-70.7	174.8	0	0	0	110.7	P600 V601 A606 A607 L608 P638 L642 L803 L807	P600-I604 WeakPolarHBondContact O-CG1 3.37Å; P600-I604 PolarHBondContact O-N 2.83Å; V601-I604 PolarHBondContact O-N 3.04Å; I604-A606 VanDerWaalsContact C-N 3.29Å; I604-A606 PolarHBondContact O-N 2.91Å; I604-A607 WeakPolarHBondContact O-CB 3.37Å; I604-A607 PolarHBondContact O-N 3.18Å; I604-A607 VanDerWaalsContact O-N 3.13Å; I604-L608 HydrophobicContact CG2-CD1 3.78Å; I604-L608 HydrophobicContact CG2-CG 4.23Å; I604-L608 WeakPolarHBondContact O-CG 3.47Å; I604-L608 PolarHBondContact O-N 3.09Å; I604-P638 HydrophobicContact CD1-CB 4.28Å; I604-P638 HydrophobicContact CG1-CB 4.39Å; I604-P638 HydrophobicContact CG2-CB 3.81Å; I604-L642 HydrophobicContact CD1-CD2 4.4Å; I604-L642 HydrophobicContact CG1-CB 4.13Å; I604-L803 HydrophobicContact CD1-CD1 4.37Å; I604-L803 HydrophobicContact CD1-CD2 3.99Å; I604-L803 HydrophobicContact CD1-CG 4.43Å; I604-L807 HydrophobicContact CD1-CD1 4Å; I604-L807 HydrophobicContact CD1-CD2 4.44Å; I604-L807 HydrophobicContact CG2-CD2 3.88Å
605	A	92.8	Very high	87.4	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-58.8	-41.1	176.7	0	0	0	0	0	112	I585 L589 V601 T603 S609 F683	I585-A605 HydrophobicContact CG2-CB 3.62Å; L589-A605 HydrophobicContact CD1-CB 4.3Å; L589-A605 HydrophobicContact CD2-CB 3.57Å; L589-A605 HydrophobicContact CG-CB 3.84Å; V601-A605 WeakPolarHBondContact O-CB 3.43Å; V601-A605 PolarHBondContact O-N 2.98Å; T603-A605 PolarHBondContact O-N 3.04Å; A605-S609 WeakPolarHBondContact O-CB 3.15Å; A605-S609 PolarHBondContact O-N 3.36Å; A605-S609 VanDerWaalsContact O-N 3.14Å; A605-S609 PolarHBondContact O-OG 3.08Å; A605-F683 HydrophobicContact CB-CD2 4.16Å; A605-F683 HydrophobicContact CB-CE2 4.11Å
606	A	92.3	Very high	87.1	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.008	18%	0.181	C	C	.	.	H	α-helix	trans	-66.4	-40.7	175.2	0	0	0	0	0	112.1	L602 T603 I604 S609 V610 M676 L679 R680 F683	L602-A606 VanDerWaalsContact O-CB 3.25Å; L602-A606 WeakPolarHBondContact O-CB 3.29Å; L602-A606 PolarHBondContact O-N 3.03Å; T603-A606 PolarHBondContact O-N 3.48Å; I604-A606 VanDerWaalsContact C-N 3.29Å; I604-A606 PolarHBondContact O-N 2.91Å; A606-S609 PolarHBondContact O-N 3.23Å; A606-V610 WeakPolarHBondContact O-CG2 3.34Å; A606-V610 PolarHBondContact O-N 2.93Å; A606-M676 HydrophobicContact CB-CB 4.37Å; A606-L679 HydrophobicContact CB-CB 3.86Å; A606-R680 HydrophobicContact CB-CB 4.21Å; A606-F683 HydrophobicContact CB-CE2 4.28Å
607	A	92.6	Very high	86.4	Confident	3 Å²	3	30.2 Å²	30.2	3%	0.025	16%	0.155	C	C	.	.	H	α-helix	trans	-64.3	-45.7	178.2	0	0	0	0	0	111.9	T603 I604 S609 V610 L641 M676	T603-A607 WeakPolarHBondContact O-CB 3.35Å; T603-A607 PolarHBondContact O-N 3.45Å; I604-A607 WeakPolarHBondContact O-CB 3.37Å; I604-A607 PolarHBondContact O-N 3.18Å; I604-A607 VanDerWaalsContact O-N 3.13Å; A607-S609 VanDerWaalsContact C-N 3.25Å; A607-S609 PolarHBondContact O-N 3.1Å; A607-V610 PolarHBondContact O-N 2.92Å; A607-L641 HydrophobicContact CB-CB 3.75Å; A607-L641 HydrophobicContact CB-CD1 3.9Å; A607-L641 HydrophobicContact CB-CG 4.28Å; A607-M676 HydrophobicContact CB-CE 3.48Å; A607-M676 VanDerWaalsContact CB-CE 3.48Å; A607-M676 HydrophobicContact CB-SD 4.34Å
608	L	91.3	Very high	85.3	Confident	24 Å²	24	30.5 Å²	30.5	13%	0.126	16%	0.158	C	C	.	.	H	α-helix	trans	-70	-21.7	179.1	-65.5	177.8	0	0	0	113.1	I585 M588 I604 P638 L641 V881 N893	I585-L608 HydrophobicContact CD1-CB 4.02Å; M588-L608 HydrophobicContact SD-CD1 4.45Å; I604-L608 HydrophobicContact CG2-CD1 3.78Å; I604-L608 HydrophobicContact CG2-CG 4.23Å; I604-L608 WeakPolarHBondContact O-CG 3.47Å; I604-L608 PolarHBondContact O-N 3.09Å; L608-P638 HydrophobicContact CD2-CG 4.43Å; L608-L641 HydrophobicContact CD2-CD1 4.28Å; L608-V881 HydrophobicContact CD1-CG2 4.01Å; L608-V881 HydrophobicContact CD2-CG2 4.15Å; L608-N893 HydrophobicContact CD2-CB 3.85Å
609	S	88.9	Confident	84	Confident	46 Å²	46	33.7 Å²	33.7	32%	0.322	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-8.7	176.8	-61	0	0	0	0	113.8	A605 A606 A607	A605-S609 WeakPolarHBondContact O-CB 3.15Å; A605-S609 PolarHBondContact O-N 3.36Å; A605-S609 VanDerWaalsContact O-N 3.14Å; A605-S609 PolarHBondContact O-OG 3.08Å; A606-S609 PolarHBondContact O-N 3.23Å; A607-S609 VanDerWaalsContact C-N 3.25Å; A607-S609 PolarHBondContact O-N 3.1Å
610	V	86.7	Confident	82.9	Confident	21 Å²	21	38.3 Å²	38.3	13%	0.127	19%	0.193	C	C	.	.	S	Bend	trans	-115.2	154.2	179.4	-176.3	0	0	0	0	108.5	A606 A607 S612 R672 E675 M676 L679	A606-V610 WeakPolarHBondContact O-CG2 3.34Å; A606-V610 PolarHBondContact O-N 2.93Å; A607-V610 PolarHBondContact O-N 2.92Å; V610-S612 PolarHBondContact O-N 3.11Å; V610-R672 HydrophobicContact CG1-CB 4.15Å; V610-E675 HydrophobicContact CG1-CB 4.12Å; V610-E675 WeakPolarHBondContact CG1-OE2 3.26Å; V610-E675 HydrophobicContact CG2-CB 4.12Å; V610-M676 HydrophobicContact CB-CG 4.34Å; V610-M676 HydrophobicContact CG2-CG 4.18Å; V610-L679 HydrophobicContact CG2-CD1 3.3Å
611	Q	83.1	Confident	82.2	Confident	94 Å²	94	41.1 Å²	41.1	44%	0.439	21%	0.208	S	C	.	.			trans	-57.2	141.3	168	-70.5	179.6	-12.9	0	0	110.1
612	S	85.9	Confident	81.6	Confident	62 Å²	62	45.3 Å²	45.3	43%	0.434	24%	0.235	S	C	.	.			trans	-50.2	133.9	-178.8	-178.6	0	0	0	0	111.3	V610 F614	V610-S612 PolarHBondContact O-N 3.11Å; S612-F614 PolarHBondContact O-N 2.95Å; S612-F614 PolarHBondContact OG-N 3.14Å
613	P	88.1	Confident	81.1	Confident	2 Å²	2	50.9 Å²	50.9	1%	0.013	27%	0.265	C	S	.	.	S	Bend	trans	-68.8	-16.1	176.6	29	-34.9	0	0	0	112.5	L641 L668 E669 R672 L673	P613-L641 HydrophobicContact CG-CD2 3.97Å; P613-L668 HydrophobicContact CB-CD2 4.33Å; P613-L668 CarbonylContact O-C 3.56Å; P613-L668 VanDerWaalsContact O-CA 3.31Å; P613-L668 WeakPolarHBondContact O-CA 3.4Å; P613-E669 PolarHBondContact O-N 3.06Å; P613-R672 HydrophobicContact CB-CB 4.07Å; P613-L673 HydrophobicContact CB-CD2 4.09Å; P613-L673 HydrophobicContact CB-CG 4.34Å; P613-L673 HydrophobicContact CG-CD2 4.3Å
614	F	86	Confident	80.5	Confident	45 Å²	45	51.5 Å²	51.5	20%	0.197	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-77.3	121.2	178.7	-65.7	-88.7	0	0	0	111.3	S612 C628 T640 L641 T644 L668	S612-F614 PolarHBondContact O-N 2.95Å; S612-F614 PolarHBondContact OG-N 3.14Å; F614-C628 HydrophobicContact CE1-CB 4.47Å; F614-T640 HydrophobicContact CE2-CG2 4.37Å; F614-T640 HydrophobicContact CZ-CG2 4.12Å; F614-L641 HydrophobicContact CD2-CD2 4.32Å; F614-L641 HydrophobicContact CE2-CD2 4.07Å; F614-T644 HydrophobicContact CE2-CG2 4.44Å; F614-T644 HydrophobicContact CZ-CG2 4.2Å; F614-T644 VanDerWaalsContact CZ-OG1 3.31Å; F614-T644 WeakPolarHBondContact CZ-OG1 3.45Å; F614-L668 HydrophobicContact CD1-CD2 3.49Å; F614-L668 VanDerWaalsContact CD1-CD2 3.49Å; F614-L668 HydrophobicContact CD2-CD2 4.27Å; F614-L668 HydrophobicContact CE1-CD2 3.62Å; F614-L668 HydrophobicContact CE2-CD2 4.38Å; F614-L668 HydrophobicContact CG-CD2 3.85Å; F614-L668 HydrophobicContact CZ-CD2 4.08Å
615	L	78	Confident	79.8	Confident	56 Å²	56	56.6 Å²	56.6	29%	0.293	29%	0.291	S	S	.	.			trans	-76.3	148.3	175.7	-62.5	173.4	0	0	0	110.8	S617 S618 G667 E669	L615-S617 PolarHBondContact O-N 2.97Å; L615-S618 WeakPolarHBondContact O-CB 3.39Å; L615-S618 PolarHBondContact O-N 3.44Å; L615-S618 PolarHBondContact O-OG 2.8Å; L615-G667 VanDerWaalsContact CB-O 3.29Å; L615-G667 WeakPolarHBondContact CB-O 3.33Å; L615-G667 WeakPolarHBondContact CG-O 3.35Å; L615-G667 PolarHBondContact N-O 3.26Å; L615-E669 HydrophobicContact CD2-CB 4.11Å
616	R	67.9	Low	79.4	Confident	174 Å²	174	61 Å²	61	66%	0.657	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-31.3	175.4	-73.8	-173.6	174.9	-146.5	-3.6	113.1	S618 Q619	R616-S618 PolarHBondContact O-N 2.89Å; R616-Q619 PolarHBondContact O-N 2.89Å
617	S	59.9	Low	79.1	Confident	35 Å²	35	63 Å²	63	25%	0.245	33%	0.332	C	S	.	.	H	α-helix	trans	-63	-24	176.7	53.2	0	0	0	0	113.2	L615 Q619 Q620 N621	L615-S617 PolarHBondContact O-N 2.97Å; S617-Q619 PolarHBondContact O-N 2.95Å; S617-Q620 PolarHBondContact O-N 2.88Å; S617-N621 PolarHBondContact O-N 3.03Å; S617-N621 VanDerWaalsContact O-N 3.11Å
618	S	59.4	Low	78.7	Confident	11 Å²	11	63 Å²	63	8%	0.077	33%	0.332	C	S	.	.	H	α-helix	trans	-64.7	-28.5	176.5	76.5	0	0	0	0	112.5	L615 R616	L615-S618 WeakPolarHBondContact O-CB 3.39Å; L615-S618 PolarHBondContact O-N 3.44Å; L615-S618 PolarHBondContact O-OG 2.8Å; R616-S618 PolarHBondContact O-N 2.89Å
619	Q	60.4	Low	78.5	Confident	84 Å²	84	68.3 Å²	68.3	39%	0.393	36%	0.356	S	S	.	.	H	α-helix	trans	-78.3	-28.6	179.3	-57.6	-150.8	-57.2	0	0	112.9	R616 S617 P844	R616-Q619 PolarHBondContact O-N 2.89Å; S617-Q619 PolarHBondContact O-N 2.95Å; Q619-P844 PolarHBondContact NE2-O 2.68Å
620	Q	65.7	Low	78.4	Confident	136 Å²	136	71 Å²	71	64%	0.636	37%	0.372	S	S	*	.	H	α-helix	trans	-86.4	-26.2	-179.5	-62.4	-176.6	12.4	0	0	111.9	S617	S617-Q620 PolarHBondContact O-N 2.88Å
621	N	76.5	Confident	78.6	Confident	66 Å²	66	70.5 Å²	70.5	35%	0.353	37%	0.369	S	S	.	.			trans	-92.8	114.1	179.1	-173	-19.7	0	0	0	111.4	S617 D623 C624 K625	S617-N621 PolarHBondContact O-N 3.03Å; S617-N621 VanDerWaalsContact O-N 3.11Å; N621-D623 VanDerWaalsContact C-N 3.28Å; N621-D623 PolarHBondContact O-N 3.25Å; N621-D623 WeakPolarHBondContact OD1-CB 3.49Å; N621-D623 PolarHBondContact OD1-N 3.31Å; N621-C624 HydrophobicContact CB-CB 4.11Å; N621-C624 WeakPolarHBondContact O-CB 3.35Å; N621-C624 PolarHBondContact O-N 3Å; N621-K625 PolarHBondContact O-N 3.09Å; N621-K625 VanDerWaalsContact O-N 3.16Å
622	P	79.6	Confident	78.8	Confident	90 Å²	90	68.9 Å²	68.9	58%	0.584	36%	0.361	S	S	*	.	H	α-helix	trans	-61.7	-33.3	-178.2	25.7	-34.3	0	0	0	113.1	C624 K625 T626	P622-C624 VanDerWaalsContact C-N 3.33Å; P622-C624 PolarHBondContact O-N 3.18Å; P622-K625 WeakPolarHBondContact O-CB 3.42Å; P622-K625 PolarHBondContact O-N 3.25Å; P622-T626 PolarHBondContact O-N 3.23Å; P622-T626 PolarHBondContact O-OG1 3.36Å; P622-T626 VanDerWaalsContact O-OG1 3.13Å
623	D	81.5	Confident	79.1	Confident	117 Å²	117	66.7 Å²	66.7	63%	0.626	35%	0.346	S	S	*	.	H	α-helix	trans	-66.5	-37.7	179.2	-65.9	-24.8	0	0	0	111.8	N621 S627	N621-D623 VanDerWaalsContact C-N 3.28Å; N621-D623 PolarHBondContact O-N 3.25Å; N621-D623 WeakPolarHBondContact OD1-CB 3.49Å; N621-D623 PolarHBondContact OD1-N 3.31Å; D623-S627 WeakPolarHBondContact O-CB 3.41Å; D623-S627 PolarHBondContact O-N 3.1Å; D623-S627 PolarHBondContact O-OG 3.01Å
624	C	80.9	Confident	79.2	Confident	13 Å²	13	70.4 Å²	70.4	9%	0.088	37%	0.365	C	S	.	.	H	α-helix	trans	-66.3	-42.9	174.9	-69.8	0	0	0	0	110.5	N621 P622 S627 C628	N621-C624 HydrophobicContact CB-CB 4.11Å; N621-C624 WeakPolarHBondContact O-CB 3.35Å; N621-C624 PolarHBondContact O-N 3Å; P622-C624 VanDerWaalsContact C-N 3.33Å; P622-C624 PolarHBondContact O-N 3.18Å; C624-S627 PolarHBondContact O-N 3.41Å; C624-C628 WeakPolarHBondContact O-CB 3.38Å; C624-C628 PolarHBondContact O-N 3.44Å; C624-C628 PolarHBondContact O-SG 2.91Å
625	K	78.9	Confident	79.4	Confident	108 Å²	108	68.8 Å²	68.8	47%	0.47	36%	0.358	S	S	.	.	H	α-helix	trans	-59.3	-48.9	178.3	-168.8	178	179.9	-178.4	0	111.5	N621 P622 S627 C628 Q629	N621-K625 PolarHBondContact O-N 3.09Å; N621-K625 VanDerWaalsContact O-N 3.16Å; P622-K625 WeakPolarHBondContact O-CB 3.42Å; P622-K625 PolarHBondContact O-N 3.25Å; K625-S627 VanDerWaalsContact C-N 3.34Å; K625-S627 PolarHBondContact O-N 2.77Å; K625-C628 PolarHBondContact O-N 2.74Å; K625-Q629 PolarHBondContact O-N 3.15Å
626	T	84.4	Confident	80.1	Confident	94 Å²	94	66.1 Å²	66.1	58%	0.577	35%	0.345	S	S	*	.	H	α-helix	trans	-61.9	-41.5	176.6	-53.9	0	0	0	0	111.6	P622 C628 Q629	P622-T626 PolarHBondContact O-N 3.23Å; P622-T626 PolarHBondContact O-OG1 3.36Å; P622-T626 VanDerWaalsContact O-OG1 3.13Å; T626-C628 VanDerWaalsContact C-N 3.26Å; T626-C628 PolarHBondContact O-N 2.93Å; T626-Q629 WeakPolarHBondContact O-CB 3.3Å; T626-Q629 PolarHBondContact O-N 3.07Å
627	S	85	Confident	81.3	Confident	41 Å²	41	58.4 Å²	58.4	29%	0.287	32%	0.316	S	S	.	.	H	α-helix	trans	-67.5	-24.3	178.3	-61.1	0	0	0	0	113.7	D623 C624 K625 R666	D623-S627 WeakPolarHBondContact O-CB 3.41Å; D623-S627 PolarHBondContact O-N 3.1Å; D623-S627 PolarHBondContact O-OG 3.01Å; C624-S627 PolarHBondContact O-N 3.41Å; K625-S627 VanDerWaalsContact C-N 3.34Å; K625-S627 PolarHBondContact O-N 2.77Å; S627-R666 PolarHBondContact O-NE 2.9Å
628	C	85.6	Confident	82.9	Confident	4 Å²	4	56.8 Å²	56.8	3%	0.027	31%	0.305	C	S	.	.	H	α-helix	trans	-85.9	-21.4	177.1	-68.4	0	0	0	0	113.7	F614 C624 K625 T626 P630 L631 H632 R666	F614-C628 HydrophobicContact CE1-CB 4.47Å; C624-C628 WeakPolarHBondContact O-CB 3.38Å; C624-C628 PolarHBondContact O-N 3.44Å; C624-C628 PolarHBondContact O-SG 2.91Å; K625-C628 PolarHBondContact O-N 2.74Å; T626-C628 VanDerWaalsContact C-N 3.26Å; T626-C628 PolarHBondContact O-N 2.93Å; C628-P630 VanDerWaalsContact C-N 3.31Å; C628-P630 VanDerWaalsContact O-N 3.16Å; C628-L631 WeakPolarHBondContact O-CA 3.32Å; C628-L631 WeakPolarHBondContact O-CB 3.28Å; C628-L631 PolarHBondContact O-N 2.68Å; C628-H632 PolarHBondContact O-CD2 2.99Å; C628-H632 PolarHBondContact O-N 3.22Å; C628-R666 PolarHBondContact SG-O 2.92Å
629	Q	85.2	Confident	84.5	Confident	135 Å²	135	56.5 Å²	56.5	63%	0.631	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-49.7	-41.6	-177	-167.5	-173.9	13.7	0	0	114	K625 T626 L631 H632	K625-Q629 PolarHBondContact O-N 3.15Å; T626-Q629 WeakPolarHBondContact O-CB 3.3Å; T626-Q629 PolarHBondContact O-N 3.07Å; Q629-L631 PolarHBondContact O-N 3.25Å; Q629-L631 VanDerWaalsContact O-N 3.17Å; Q629-H632 PolarHBondContact O-N 3.49Å; Q629-H632 VanDerWaalsContact O-N 3.17Å
630	P	88.7	Confident	86.1	Confident	102 Å²	102	52.7 Å²	52.7	66%	0.662	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-65.6	-17.9	177.8	-21.3	34.5	0	0	0	114.6	C628	C628-P630 VanDerWaalsContact C-N 3.31Å; C628-P630 VanDerWaalsContact O-N 3.16Å
631	L	88.8	Confident	87.4	Confident	12 Å²	12	46.7 Å²	46.7	6%	0.063	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-88.2	-21.7	179.1	-54.6	179.2	0	0	0	112	C628 Q629 N643 T644 A647 W662 L668	C628-L631 WeakPolarHBondContact O-CA 3.32Å; C628-L631 WeakPolarHBondContact O-CB 3.28Å; C628-L631 PolarHBondContact O-N 2.68Å; Q629-L631 PolarHBondContact O-N 3.25Å; Q629-L631 VanDerWaalsContact O-N 3.17Å; L631-N643 WeakPolarHBondContact O-CB 3.3Å; L631-N643 PolarHBondContact O-ND2 3.23Å; L631-T644 HydrophobicContact CD1-CG2 4.21Å; L631-A647 HydrophobicContact CD2-CB 3.78Å; L631-W662 HydrophobicContact CD1-CH2 4.12Å; L631-W662 HydrophobicContact CD1-CZ2 4.23Å; L631-W662 HydrophobicContact CD2-CZ2 4.32Å; L631-L668 HydrophobicContact CD1-CD1 4.49Å
632	H	89.3	Confident	88.2	Confident	60 Å²	60	43.5 Å²	43.5	28%	0.278	24%	0.24	S	C	.	.			trans	-68.6	136.9	-177.6	-67.5	-175.8	0	0	0	110.8	C628 Q629 V847	C628-H632 PolarHBondContact O-CD2 2.99Å; C628-H632 PolarHBondContact O-N 3.22Å; Q629-H632 PolarHBondContact O-N 3.49Å; Q629-H632 VanDerWaalsContact O-N 3.17Å; H632-V847 HydrophobicContact CB-CG1 4.07Å
633	S	90.8	Very high	88.9	Confident	15 Å²	15	41.6 Å²	41.6	11%	0.105	23%	0.225	C	C	.	.			trans	-112.9	130.5	173.8	-178.4	0	0	0	0	109.9	Q635 G636 F639 T640	S633-Q635 PolarHBondContact O-N 2.93Å; S633-Q635 PolarHBondContact OG-N 2.77Å; S633-Q635 VanDerWaalsContact OG-N 3.17Å; S633-G636 PolarHBondContact O-N 3.11Å; S633-G636 VanDerWaalsContact O-N 3.15Å; S633-F639 VanDerWaalsContact CB-CB 3.47Å; S633-F639 WeakPolarHBondContact OG-CB 3.29Å; S633-T640 PolarHBondContact N-OG1 2.82Å
634	N	89.8	Confident	89.4	Confident	80 Å²	80	36 Å²	36	43%	0.428	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-7.1	170.2	68.4	-6.2	0	0	0	112.9	V854 R896	N634-V854 HydrophobicContact CB-CG1 3.89Å; N634-V854 HydrophobicContact CB-CG2 4.18Å; N634-V854 WeakPolarHBondContact O-CG1 3.38Å; N634-R896 WeakPolarHBondContact O-CD 3.32Å; N634-R896 PolarHBondContact O-NE 3.23Å
635	Q	91.1	Very high	90	Very high	11 Å²	11	35.5 Å²	35.5	5%	0.051	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-18.8	175.4	-53.8	-56.5	-57.7	0	0	112.7	S633 F639 K804 R896	S633-Q635 PolarHBondContact O-N 2.93Å; S633-Q635 PolarHBondContact OG-N 2.77Å; S633-Q635 VanDerWaalsContact OG-N 3.17Å; Q635-F639 HydrophobicContact CB-CB 4.17Å; Q635-F639 HydrophobicContact CB-CD1 4.1Å; Q635-F639 HydrophobicContact CB-CD2 3.58Å; Q635-F639 HydrophobicContact CB-CE1 4.39Å; Q635-F639 HydrophobicContact CB-CE2 3.92Å; Q635-F639 HydrophobicContact CB-CG 3.69Å; Q635-F639 HydrophobicContact CB-CZ 4.32Å; Q635-F639 HydrophobicContact CG-CD1 4.39Å; Q635-F639 HydrophobicContact CG-CG 4.44Å; Q635-K804 VanDerWaalsContact OE1-CD 3.25Å; Q635-K804 VanDerWaalsContact OE1-CE 3.3Å; Q635-R896 VanDerWaalsContact NE2-NH2 3.15Å; Q635-R896 PolarHBondContact O-N 3.26Å
636	G	92.4	Very high	90.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	132.7	-173.3	175.2	0	0	0	0	0	115.2	S633 F639 T640 C894	S633-G636 PolarHBondContact O-N 3.11Å; S633-G636 VanDerWaalsContact O-N 3.15Å; G636-F639 PolarHBondContact O-N 3.35Å; G636-T640 PolarHBondContact O-N 3.05Å; G636-T640 VanDerWaalsContact O-N 3.14Å; G636-T640 PolarHBondContact O-OG1 2.74Å; G636-T640 VanDerWaalsContact O-OG1 3.06Å; G636-C894 CarbonylContact C-O 3.44Å; G636-C894 VanDerWaalsContact CA-O 3.29Å; G636-C894 WeakPolarHBondContact CA-O 3.13Å
637	D	92.7	Very high	90.9	Very high	12 Å²	12	27 Å²	27	6%	0.064	15%	0.15	C	C	.	.	H	α-helix	trans	-65.3	-43.7	-172.9	-53.8	-39.5	0	0	0	112.6	F639 T640 L641 S846 V847 N893 C894	D637-F639 VanDerWaalsContact C-N 3.3Å; D637-F639 PolarHBondContact O-N 2.73Å; D637-T640 WeakPolarHBondContact O-CB 3.44Å; D637-T640 PolarHBondContact O-N 3.01Å; D637-T640 VanDerWaalsContact O-N 3.11Å; D637-L641 WeakPolarHBondContact O-CG 3.38Å; D637-L641 PolarHBondContact O-N 3.15Å; D637-S846 VanDerWaalsContact CG-OG 3.25Å; D637-S846 VanDerWaalsContact OD1-CA 3.24Å; D637-S846 WeakPolarHBondContact OD1-CA 3.46Å; D637-S846 PolarHBondContact OD1-OG 3.05Å; D637-S846 PolarHBondContact OD2-OG 3.16Å; D637-V847 PolarHBondContact OD1-N 3.18Å; D637-N893 VanDerWaalsContact OD2-CA 3.22Å; D637-N893 WeakPolarHBondContact OD2-CA 3.41Å; D637-N893 PolarHBondContact OD2-N 3Å; D637-C894 PolarHBondContact N-O 3.42Å; D637-C894 PolarHBondContact OD2-N 3.2Å
638	P	94	Very high	91.3	Very high	1 Å²	1	25 Å²	25	1%	0.006	14%	0.137	C	C	.	.	H	α-helix	trans	-59.4	-37	177.8	-30.5	41.4	0	0	0	114.2	I604 L608 L641 L642 L807 C894 V895	I604-P638 HydrophobicContact CD1-CB 4.28Å; I604-P638 HydrophobicContact CG1-CB 4.39Å; I604-P638 HydrophobicContact CG2-CB 3.81Å; L608-P638 HydrophobicContact CD2-CG 4.43Å; P638-L641 PolarHBondContact O-N 3.42Å; P638-L642 PolarHBondContact O-N 3.26Å; P638-L807 HydrophobicContact CB-CD1 4.35Å; P638-C894 WeakPolarHBondContact CD-O 3.34Å; P638-V895 HydrophobicContact CB-CG2 4.11Å; P638-V895 HydrophobicContact CG-CG2 3.45Å; P638-V895 VanDerWaalsContact CG-CG2 3.45Å
639	F	93.7	Very high	91.5	Very high	5 Å²	5	24.8 Å²	24.8	2%	0.022	14%	0.135	C	C	.	.	H	α-helix	trans	-70.6	-37	176	-75.1	-98.1	0	0	0	111.5	S633 Q635 G636 D637 L641 L642 N643 L795 Q800 L803 K804 L807 V895	S633-F639 VanDerWaalsContact CB-CB 3.47Å; S633-F639 WeakPolarHBondContact OG-CB 3.29Å; Q635-F639 HydrophobicContact CB-CB 4.17Å; Q635-F639 HydrophobicContact CB-CD1 4.1Å; Q635-F639 HydrophobicContact CB-CD2 3.58Å; Q635-F639 HydrophobicContact CB-CE1 4.39Å; Q635-F639 HydrophobicContact CB-CE2 3.92Å; Q635-F639 HydrophobicContact CB-CG 3.69Å; Q635-F639 HydrophobicContact CB-CZ 4.32Å; Q635-F639 HydrophobicContact CG-CD1 4.39Å; Q635-F639 HydrophobicContact CG-CG 4.44Å; G636-F639 PolarHBondContact O-N 3.35Å; D637-F639 VanDerWaalsContact C-N 3.3Å; D637-F639 PolarHBondContact O-N 2.73Å; F639-L641 VanDerWaalsContact C-N 3.33Å; F639-L641 PolarHBondContact O-N 3.3Å; F639-L642 WeakPolarHBondContact O-CB 3.39Å; F639-L642 PolarHBondContact O-N 2.99Å; F639-N643 VanDerWaalsContact O-CG 3.25Å; F639-N643 PolarHBondContact O-N 3.45Å; F639-N643 PolarHBondContact O-OD1 2.68Å; F639-L795 HydrophobicContact CE1-CD1 4.46Å; F639-Q800 HydrophobicContact CE1-CG 4.48Å; F639-L803 HydrophobicContact CD1-CD2 4.5Å; F639-L803 HydrophobicContact CE1-CD2 3.7Å; F639-L803 HydrophobicContact CE1-CG 4.28Å; F639-L803 HydrophobicContact CZ-CB 4.2Å; F639-L803 HydrophobicContact CZ-CD2 3.84Å; F639-L803 HydrophobicContact CZ-CG 3.91Å; F639-K804 HydrophobicContact CE2-CG 3.9Å; F639-K804 HydrophobicContact CZ-CG 3.78Å; F639-L807 HydrophobicContact CE2-CD1 3.87Å; F639-L807 HydrophobicContact CZ-CD1 4.43Å; F639-V895 HydrophobicContact CE2-CG1 4.11Å
640	T	93	Very high	91.5	Very high	4 Å²	4	21.9 Å²	21.9	3%	0.025	12%	0.122	C	C	.	.	H	α-helix	trans	-63	-40.5	174	-59.5	0	0	0	0	111.8	F614 S633 G636 D637 N643 T644 V847	F614-T640 HydrophobicContact CE2-CG2 4.37Å; F614-T640 HydrophobicContact CZ-CG2 4.12Å; S633-T640 PolarHBondContact N-OG1 2.82Å; G636-T640 PolarHBondContact O-N 3.05Å; G636-T640 VanDerWaalsContact O-N 3.14Å; G636-T640 PolarHBondContact O-OG1 2.74Å; G636-T640 VanDerWaalsContact O-OG1 3.06Å; D637-T640 WeakPolarHBondContact O-CB 3.44Å; D637-T640 PolarHBondContact O-N 3.01Å; D637-T640 VanDerWaalsContact O-N 3.11Å; T640-N643 PolarHBondContact O-N 2.84Å; T640-T644 WeakPolarHBondContact O-CB 3.27Å; T640-T644 PolarHBondContact O-N 3.37Å; T640-T644 PolarHBondContact O-OG1 2.93Å; T640-V847 HydrophobicContact CG2-CG2 3.89Å; T640-V847 WeakPolarHBondContact OG1-CG2 3.33Å
641	L	93.9	Very high	91.5	Very high	10 Å²	10	18 Å²	18	5%	0.052	10%	0.096	C	C	.	.	H	α-helix	trans	-66.5	-38.4	175.3	-69.9	168.5	0	0	0	112	A607 L608 P613 F614 D637 P638 F639 F645	A607-L641 HydrophobicContact CB-CB 3.75Å; A607-L641 HydrophobicContact CB-CD1 3.9Å; A607-L641 HydrophobicContact CB-CG 4.28Å; L608-L641 HydrophobicContact CD2-CD1 4.28Å; P613-L641 HydrophobicContact CG-CD2 3.97Å; F614-L641 HydrophobicContact CD2-CD2 4.32Å; F614-L641 HydrophobicContact CE2-CD2 4.07Å; D637-L641 WeakPolarHBondContact O-CG 3.38Å; D637-L641 PolarHBondContact O-N 3.15Å; P638-L641 PolarHBondContact O-N 3.42Å; F639-L641 VanDerWaalsContact C-N 3.33Å; F639-L641 PolarHBondContact O-N 3.3Å; L641-F645 WeakPolarHBondContact O-CB 3.41Å; L641-F645 PolarHBondContact O-N 3.2Å
642	L	93.4	Very high	91.3	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-60.3	-51.6	172.8	174.5	64.4	0	0	0	111.3	P600 T603 I604 P638 F639 T644 F645 N646 L795	P600-L642 HydrophobicContact CB-CD1 4.37Å; P600-L642 HydrophobicContact CB-CD2 3.96Å; T603-L642 HydrophobicContact CG2-CB 4.48Å; T603-L642 HydrophobicContact CG2-CD1 3.67Å; I604-L642 HydrophobicContact CD1-CD2 4.4Å; I604-L642 HydrophobicContact CG1-CB 4.13Å; P638-L642 PolarHBondContact O-N 3.26Å; F639-L642 WeakPolarHBondContact O-CB 3.39Å; F639-L642 PolarHBondContact O-N 2.99Å; L642-T644 VanDerWaalsContact C-N 3.34Å; L642-T644 PolarHBondContact O-N 2.95Å; L642-F645 PolarHBondContact O-N 2.71Å; L642-N646 WeakPolarHBondContact O-CB 3.4Å; L642-N646 VanDerWaalsContact O-CG 3.23Å; L642-N646 PolarHBondContact O-N 3.49Å; L642-N646 PolarHBondContact O-OD1 3.18Å; L642-L795 HydrophobicContact CD2-CD1 3.77Å
643	N	93.1	Very high	90.6	Very high	50 Å²	50	17.1 Å²	17.1	27%	0.267	10%	0.098	S	C	.	.	H	α-helix	trans	-59.5	-45	178.5	-68.7	-6.6	0	0	0	111.7	L631 F639 T640 F645 N646 A647	L631-N643 WeakPolarHBondContact O-CB 3.3Å; L631-N643 PolarHBondContact O-ND2 3.23Å; F639-N643 VanDerWaalsContact O-CG 3.25Å; F639-N643 PolarHBondContact O-N 3.45Å; F639-N643 PolarHBondContact O-OD1 2.68Å; T640-N643 PolarHBondContact O-N 2.84Å; N643-F645 VanDerWaalsContact C-N 3.34Å; N643-F645 PolarHBondContact O-N 2.96Å; N643-N646 PolarHBondContact O-N 3.31Å; N643-A647 WeakPolarHBondContact O-CB 3.41Å; N643-A647 PolarHBondContact O-N 3.42Å
644	T	93.4	Very high	90.1	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-57.9	-46.2	177	-58.8	0	0	0	0	111.8	F614 L631 T640 L642 W648 L668	F614-T644 HydrophobicContact CE2-CG2 4.44Å; F614-T644 HydrophobicContact CZ-CG2 4.2Å; F614-T644 VanDerWaalsContact CZ-OG1 3.31Å; F614-T644 WeakPolarHBondContact CZ-OG1 3.45Å; L631-T644 HydrophobicContact CD1-CG2 4.21Å; T640-T644 WeakPolarHBondContact O-CB 3.27Å; T640-T644 PolarHBondContact O-N 3.37Å; T640-T644 PolarHBondContact O-OG1 2.93Å; L642-T644 VanDerWaalsContact C-N 3.34Å; L642-T644 PolarHBondContact O-N 2.95Å; T644-W648 WeakPolarHBondContact O-CB 3.47Å; T644-W648 PolarHBondContact O-N 2.82Å; T644-W648 VanDerWaalsContact O-N 3.1Å; T644-L668 HydrophobicContact CG2-CD1 3.8Å; T644-L668 HydrophobicContact CG2-CD2 4.08Å
645	F	93.6	Very high	88.5	Confident	1 Å²	1	31.4 Å²	31.4	0%	0.004	15%	0.149	C	C	.	.	H	α-helix	trans	-65.4	-45.8	178.4	179.1	-93.9	0	0	0	111.7	T603 L641 L642 N643 W648 V649 M676 V677 V789	T603-F645 HydrophobicContact CG2-CB 3.69Å; T603-F645 HydrophobicContact CG2-CD1 3.64Å; T603-F645 HydrophobicContact CG2-CE1 4.39Å; T603-F645 HydrophobicContact CG2-CG 3.71Å; L641-F645 WeakPolarHBondContact O-CB 3.41Å; L641-F645 PolarHBondContact O-N 3.2Å; L642-F645 PolarHBondContact O-N 2.71Å; N643-F645 VanDerWaalsContact C-N 3.34Å; N643-F645 PolarHBondContact O-N 2.96Å; F645-W648 HydrophobicContact CD2-CE3 4.46Å; F645-W648 HydrophobicContact CE2-CE3 4.47Å; F645-W648 HydrophobicContact CE2-CZ3 4.27Å; F645-W648 PolarHBondContact O-N 3.36Å; F645-V649 HydrophobicContact CD1-CG2 4.18Å; F645-V649 HydrophobicContact CE1-CG2 3.8Å; F645-V649 HydrophobicContact CE2-CG2 4.45Å; F645-V649 HydrophobicContact CZ-CG2 3.97Å; F645-V649 WeakPolarHBondContact O-CG2 3.27Å; F645-V649 PolarHBondContact O-N 3.37Å; F645-M676 HydrophobicContact CB-CE 3.88Å; F645-M676 HydrophobicContact CD2-CB 4.14Å; F645-M676 HydrophobicContact CD2-CE 3.65Å; F645-M676 HydrophobicContact CD2-SD 4.48Å; F645-M676 HydrophobicContact CE2-CB 4.01Å; F645-M676 HydrophobicContact CG-CE 4.05Å; F645-V677 HydrophobicContact CE2-CG2 3.53Å; F645-V677 HydrophobicContact CZ-CG2 3.72Å; F645-V789 HydrophobicContact CD1-CG2 4.39Å; F645-V789 HydrophobicContact CE1-CG2 4.05Å
646	N	91.4	Very high	86.8	Confident	3 Å²	3	33.3 Å²	33.3	2%	0.016	17%	0.171	C	C	.	.	H	α-helix	trans	-59.4	-50.8	-179.6	-71	-6.2	0	0	0	111	L642 N643 W648 V649 E650 V789 S792	L642-N646 WeakPolarHBondContact O-CB 3.4Å; L642-N646 VanDerWaalsContact O-CG 3.23Å; L642-N646 PolarHBondContact O-N 3.49Å; L642-N646 PolarHBondContact O-OD1 3.18Å; N643-N646 PolarHBondContact O-N 3.31Å; N646-W648 VanDerWaalsContact C-N 3.29Å; N646-W648 PolarHBondContact O-N 3.36Å; N646-V649 PolarHBondContact O-N 2.66Å; N646-V649 VanDerWaalsContact O-N 3.11Å; N646-E650 PolarHBondContact O-N 3.03Å; N646-V789 HydrophobicContact CB-CG1 3.56Å; N646-S792 PolarHBondContact ND2-O 3.44Å
647	A	91	Very high	85.2	Confident	20 Å²	20	36.7 Å²	36.7	17%	0.165	21%	0.206	C	C	.	.	H	α-helix	trans	-60.5	-37.3	178	0	0	0	0	0	112.7	L631 N643 E650 V651 W662	L631-A647 HydrophobicContact CD2-CB 3.78Å; N643-A647 WeakPolarHBondContact O-CB 3.41Å; N643-A647 PolarHBondContact O-N 3.42Å; A647-E650 PolarHBondContact O-N 3.09Å; A647-V651 WeakPolarHBondContact O-CG2 3.43Å; A647-V651 PolarHBondContact O-N 2.88Å; A647-W662 HydrophobicContact CB-CH2 4.23Å; A647-W662 HydrophobicContact CB-CZ2 3.8Å
648	W	91.9	Very high	84.5	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-66.7	-38.8	175.9	171.8	80.9	0	0	0	112.7	T644 F645 N646 E650 V651 K652 W662 E670 L673 Y674 V677 F776	T644-W648 WeakPolarHBondContact O-CB 3.47Å; T644-W648 PolarHBondContact O-N 2.82Å; T644-W648 VanDerWaalsContact O-N 3.1Å; F645-W648 HydrophobicContact CD2-CE3 4.46Å; F645-W648 HydrophobicContact CE2-CE3 4.47Å; F645-W648 HydrophobicContact CE2-CZ3 4.27Å; F645-W648 PolarHBondContact O-N 3.36Å; N646-W648 VanDerWaalsContact C-N 3.29Å; N646-W648 PolarHBondContact O-N 3.36Å; W648-E650 VanDerWaalsContact C-N 3.32Å; W648-E650 PolarHBondContact O-N 3.21Å; W648-V651 PolarHBondContact O-N 2.78Å; W648-K652 HydrophobicContact CD2-CG 4.13Å; W648-K652 HydrophobicContact CH2-CG 4.35Å; W648-K652 HydrophobicContact CZ2-CD 4.26Å; W648-K652 HydrophobicContact CZ2-CG 3.88Å; W648-K652 WeakPolarHBondContact O-CG 3.48Å; W648-K652 PolarHBondContact O-N 3.36Å; W648-W662 HydrophobicContact CB-CE3 4.49Å; W648-W662 HydrophobicContact CB-CH2 4.05Å; W648-W662 HydrophobicContact CB-CZ3 3.76Å; W648-W662 HydrophobicContact CG-CZ3 4.37Å; W648-E670 HydrophobicContact CZ2-CG 4.23Å; W648-E670 PolarHBondContact NE1-OE1 3.05Å; W648-L673 HydrophobicContact CB-CD1 3.91Å; W648-L673 VanDerWaalsContact CD1-CD1 3.48Å; W648-L673 HydrophobicContact CD2-CB 3.85Å; W648-L673 HydrophobicContact CD2-CD1 3.81Å; W648-L673 HydrophobicContact CD2-CG 4.37Å; W648-L673 HydrophobicContact CE3-CB 3.99Å; W648-L673 HydrophobicContact CG-CB 4.42Å; W648-L673 HydrophobicContact CG-CD1 3.46Å; W648-L673 VanDerWaalsContact CG-CD1 3.46Å; W648-L673 HydrophobicContact CG-CG 4.44Å; W648-L673 HydrophobicContact CH2-CB 4.13Å; W648-L673 HydrophobicContact CZ2-CB 3.97Å; W648-L673 HydrophobicContact CZ3-CB 4.14Å; W648-Y674 AromaticContact CH2-CD1 3.75Å; W648-Y674 HydrophobicContact CH2-CD1 3.75Å; W648-Y674 AromaticContact CH2-CE1 3.98Å; W648-Y674 HydrophobicContact CH2-CE1 3.98Å; W648-Y674 AromaticContact CZ2-CD1 3.8Å; W648-Y674 HydrophobicContact CZ2-CD1 3.8Å; W648-Y674 AromaticContact CZ2-CE1 3.69Å; W648-Y674 HydrophobicContact CZ2-CE1 3.69Å; W648-Y674 HydrophobicContact CZ2-CG 4.5Å; W648-V677 HydrophobicContact CH2-CG2 3.9Å; W648-V677 HydrophobicContact CZ3-CG2 3.52Å; W648-F776 HydrophobicContact CH2-CE2 4.1Å; W648-F776 HydrophobicContact CH2-CZ 4.32Å
649	V	89.4	Confident	84	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-63.7	-38.3	177.5	167.8	0	0	0	0	111.6	F645 N646 K652 G653 L785 Q786 V789	F645-V649 HydrophobicContact CD1-CG2 4.18Å; F645-V649 HydrophobicContact CE1-CG2 3.8Å; F645-V649 HydrophobicContact CE2-CG2 4.45Å; F645-V649 HydrophobicContact CZ-CG2 3.97Å; F645-V649 WeakPolarHBondContact O-CG2 3.27Å; F645-V649 PolarHBondContact O-N 3.37Å; N646-V649 PolarHBondContact O-N 2.66Å; N646-V649 VanDerWaalsContact O-N 3.11Å; V649-K652 WeakPolarHBondContact O-CB 3.04Å; V649-K652 PolarHBondContact O-N 2.77Å; V649-G653 PolarHBondContact O-N 2.7Å; V649-G653 VanDerWaalsContact O-N 3.12Å; V649-L785 HydrophobicContact CB-CD2 4.21Å; V649-L785 HydrophobicContact CG1-CB 4.3Å; V649-L785 HydrophobicContact CG1-CD2 3.67Å; V649-L785 HydrophobicContact CG1-CG 3.87Å; V649-L785 HydrophobicContact CG2-CD2 3.49Å; V649-L785 VanDerWaalsContact CG2-CD2 3.49Å; V649-L785 HydrophobicContact CG2-CG 4.1Å; V649-Q786 HydrophobicContact CG1-CG 3.97Å; V649-V789 HydrophobicContact CB-CG1 4.44Å; V649-V789 HydrophobicContact CB-CG2 3.97Å; V649-V789 HydrophobicContact CG1-CB 4.17Å; V649-V789 HydrophobicContact CG1-CG1 4.48Å; V649-V789 HydrophobicContact CG1-CG2 3.85Å; V649-V789 HydrophobicContact CG2-CG2 4.04Å
650	E	87.1	Confident	83.5	Confident	74 Å²	74	42.3 Å²	42.3	35%	0.346	24%	0.237	S	C	.	.	H	α-helix	trans	-62.2	-50.8	175.6	-65.7	-173.4	116.8	0	0	112	N646 A647 W648 K652 G653 E654 Q793	N646-E650 PolarHBondContact O-N 3.03Å; A647-E650 PolarHBondContact O-N 3.09Å; W648-E650 VanDerWaalsContact C-N 3.32Å; W648-E650 PolarHBondContact O-N 3.21Å; E650-K652 PolarHBondContact O-N 3.22Å; E650-K652 VanDerWaalsContact O-N 3.15Å; E650-G653 PolarHBondContact O-N 3.04Å; E650-E654 PolarHBondContact O-N 3.07Å; E650-Q793 VanDerWaalsContact OE1-CD 3.28Å; E650-Q793 PolarHBondContact OE1-NE2 2.91Å; E650-Q793 PolarHBondContact OE1-OE1 3.33Å; E650-Q793 VanDerWaalsContact OE1-OE1 3.1Å; E650-Q793 PolarHBondContact OE2-NE2 3.39Å
651	V	88	Confident	83.1	Confident	21 Å²	21	48.3 Å²	48.3	13%	0.127	26%	0.263	C	S	.	.	H	α-helix	trans	-59.9	-28.8	177.4	176.6	0	0	0	0	111.3	A647 W648 W662	A647-V651 WeakPolarHBondContact O-CG2 3.43Å; A647-V651 PolarHBondContact O-N 2.88Å; W648-V651 PolarHBondContact O-N 2.78Å; V651-W662 HydrophobicContact CG1-CB 4.05Å; V651-W662 HydrophobicContact CG1-CG 4.2Å; V651-W662 HydrophobicContact CG2-CD2 4.36Å; V651-W662 HydrophobicContact CG2-CG 4.09Å
652	K	84.4	Confident	82.9	Confident	28 Å²	28	49.4 Å²	49.4	12%	0.122	27%	0.266	C	S	.	.	H	α-helix	trans	-72.5	-29.5	173.8	-82.7	-68	-170.7	-168.7	0	114	W648 V649 E650 S659 E670 Y674	W648-K652 HydrophobicContact CD2-CG 4.13Å; W648-K652 HydrophobicContact CH2-CG 4.35Å; W648-K652 HydrophobicContact CZ2-CD 4.26Å; W648-K652 HydrophobicContact CZ2-CG 3.88Å; W648-K652 WeakPolarHBondContact O-CG 3.48Å; W648-K652 PolarHBondContact O-N 3.36Å; V649-K652 WeakPolarHBondContact O-CB 3.04Å; V649-K652 PolarHBondContact O-N 2.77Å; E650-K652 PolarHBondContact O-N 3.22Å; E650-K652 VanDerWaalsContact O-N 3.15Å; K652-S659 WeakPolarHBondContact CE-OG 3.44Å; K652-S659 PolarHBondContact NZ-OG 2.97Å; K652-E670 WeakPolarHBondContact CE-OE1 3.33Å; K652-E670 IonicContact NZ-OE1 3.59Å; K652-E670 PolarHBondContact NZ-OE1 2.65Å; K652-Y674 PolarHBondContact NZ-OH 2.81Å
653	G	75.3	Confident	82.7	Confident	25 Å²	25	49.5 Å²	49.5	26%	0.258	27%	0.267	S	S	.	.	H	α-helix	trans	-82.5	-20.5	178	0	0	0	0	0	114.2	V649 E650	V649-G653 PolarHBondContact O-N 2.7Å; V649-G653 VanDerWaalsContact O-N 3.12Å; E650-G653 PolarHBondContact O-N 3.04Å
654	E	79.1	Confident	82.2	Confident	129 Å²	129	51.8 Å²	51.8	60%	0.603	27%	0.272	S	S	*	.	S	Bend	trans	-62.5	139.9	172.4	-68.2	179.5	176.9	0	0	111.7	E650 G656	E650-E654 PolarHBondContact O-N 3.07Å; E654-G656 VanDerWaalsContact C-N 3.26Å; E654-G656 PolarHBondContact O-N 3.44Å
655	R	57.4	Low	81.8	Confident	266 Å²	266	59 Å²	59	100%	1.004	30%	0.299	S	S	*	.	S	Bend	trans	-73.9	77.1	177.9	-70.4	-174.5	-176.9	-173.7	1.7	110.8
656	G	54.8	Low	81.5	Confident	50 Å²	50	61.3 Å²	61.3	52%	0.515	31%	0.308	S	S	.	.	S	Bend	trans	170.1	126.7	173.4	0	0	0	0	0	110.3	E654 G658	E654-G656 VanDerWaalsContact C-N 3.26Å; E654-G656 PolarHBondContact O-N 3.44Å; G656-G658 PolarHBondContact O-N 3.18Å
657	G	59.6	Low	81.3	Confident	71 Å²	71	61.4 Å²	61.4	73%	0.732	31%	0.31	S	S	*	.	S	Bend	trans	-66.8	51.6	-174.6	0	0	0	0	0	115.6
658	G	76.9	Confident	81.1	Confident	31 Å²	31	60.9 Å²	60.9	32%	0.32	30%	0.304	S	S	.	.			trans	-87.3	-9.2	-176.9	0	0	0	0	0	114.7	G656 R660 K661 W662	G656-G658 PolarHBondContact O-N 3.18Å; G658-R660 VanDerWaalsContact C-N 3.34Å; G658-R660 PolarHBondContact O-N 3.13Å; G658-K661 WeakPolarHBondContact O-CB 3.26Å; G658-K661 PolarHBondContact O-N 3.07Å; G658-K661 VanDerWaalsContact O-N 3.09Å; G658-W662 WeakPolarHBondContact O-CB 3.37Å; G658-W662 PolarHBondContact O-N 3.37Å
659	S	83.9	Confident	80.8	Confident	7 Å²	7	63.1 Å²	63.1	5%	0.049	31%	0.314	C	S	.	.	H	α-helix	trans	-59.9	-39.4	-175.2	69.4	0	0	0	0	113.3	K652 K661 W662 C663 E670	K652-S659 WeakPolarHBondContact CE-OG 3.44Å; K652-S659 PolarHBondContact NZ-OG 2.97Å; S659-K661 PolarHBondContact O-N 3.03Å; S659-W662 WeakPolarHBondContact O-CB 3.22Å; S659-W662 PolarHBondContact O-N 2.8Å; S659-C663 WeakPolarHBondContact O-CB 3.5Å; S659-C663 PolarHBondContact O-N 3.41Å; S659-C663 PolarHBondContact O-SG 2.75Å; S659-E670 VanDerWaalsContact CB-OE1 3.27Å; S659-E670 WeakPolarHBondContact CB-OE1 3.35Å; S659-E670 PolarHBondContact OG-OE1 2.87Å
660	R	82.4	Confident	80.6	Confident	99 Å²	99	63.8 Å²	63.8	37%	0.374	32%	0.318	S	S	.	.	H	α-helix	trans	-60.5	-46.3	174.4	-76.2	177	173.8	-155.3	-8.8	111.6	G658 W662 C663 R664 E670 D770	G658-R660 VanDerWaalsContact C-N 3.34Å; G658-R660 PolarHBondContact O-N 3.13Å; R660-W662 VanDerWaalsContact C-N 3.33Å; R660-C663 PolarHBondContact O-N 3.18Å; R660-R664 WeakPolarHBondContact O-CG 3.31Å; R660-R664 PolarHBondContact O-N 2.61Å; R660-E670 WeakPolarHBondContact CG-OE2 3.27Å; R660-D770 IonicContact CZ-OD1 2.7Å; R660-D770 IonicContact CZ-OD2 3.01Å; R660-D770 IonicContact NE-OD2 3.99Å; R660-D770 PolarHBondContact NE-OD2 3.02Å; R660-D770 IonicContact NH2-OD1 3.51Å; R660-D770 PolarHBondContact NH2-OD1 3.29Å; R660-D770 IonicContact NH2-OD2 3.59Å; R660-D770 PolarHBondContact NH2-OD2 3.33Å
661	K	85.4	Confident	80.4	Confident	129 Å²	129	62.1 Å²	62.1	56%	0.561	31%	0.31	S	S	*	.	H	α-helix	trans	-65.7	-38.8	178.1	-171.1	178.6	-175.8	179.9	0	111.1	G658 S659 R665	G658-K661 WeakPolarHBondContact O-CB 3.26Å; G658-K661 PolarHBondContact O-N 3.07Å; G658-K661 VanDerWaalsContact O-N 3.09Å; S659-K661 PolarHBondContact O-N 3.03Å; K661-R665 VanDerWaalsContact CE-NH2 3.33Å; K661-R665 WeakPolarHBondContact O-CG 3.38Å; K661-R665 PolarHBondContact O-N 2.86Å; K661-R665 VanDerWaalsContact O-N 3.11Å
662	W	89.1	Confident	80.3	Confident	33 Å²	33	63.2 Å²	63.2	13%	0.125	31%	0.312	C	S	.	.	H	α-helix	trans	-63	-43.7	175.1	-178.8	100.6	0	0	0	111.7	L631 A647 W648 V651 G658 S659 R660 L668	L631-W662 HydrophobicContact CD1-CH2 4.12Å; L631-W662 HydrophobicContact CD1-CZ2 4.23Å; L631-W662 HydrophobicContact CD2-CZ2 4.32Å; A647-W662 HydrophobicContact CB-CH2 4.23Å; A647-W662 HydrophobicContact CB-CZ2 3.8Å; W648-W662 HydrophobicContact CB-CE3 4.49Å; W648-W662 HydrophobicContact CB-CH2 4.05Å; W648-W662 HydrophobicContact CB-CZ3 3.76Å; W648-W662 HydrophobicContact CG-CZ3 4.37Å; V651-W662 HydrophobicContact CG1-CB 4.05Å; V651-W662 HydrophobicContact CG1-CG 4.2Å; V651-W662 HydrophobicContact CG2-CD2 4.36Å; V651-W662 HydrophobicContact CG2-CG 4.09Å; G658-W662 WeakPolarHBondContact O-CB 3.37Å; G658-W662 PolarHBondContact O-N 3.37Å; S659-W662 WeakPolarHBondContact O-CB 3.22Å; S659-W662 PolarHBondContact O-N 2.8Å; R660-W662 VanDerWaalsContact C-N 3.33Å; W662-L668 HydrophobicContact CE3-CD1 4.2Å; W662-L668 HydrophobicContact CH2-CD1 3.74Å; W662-L668 HydrophobicContact CZ3-CD1 3.37Å
663	C	88.5	Confident	80.6	Confident	3 Å²	3	61.9 Å²	61.9	2%	0.02	31%	0.306	C	S	.	.	H	α-helix	trans	-64.7	-48	176.3	-67	0	0	0	0	111.3	S659 R660 R665 R666 G667 L668 E670	S659-C663 WeakPolarHBondContact O-CB 3.5Å; S659-C663 PolarHBondContact O-N 3.41Å; S659-C663 PolarHBondContact O-SG 2.75Å; R660-C663 PolarHBondContact O-N 3.18Å; C663-R665 PolarHBondContact O-N 3.15Å; C663-R666 CarbonylContact O-C 3.56Å; C663-R666 PolarHBondContact O-N 3.29Å; C663-G667 PolarHBondContact O-N 3.36Å; C663-L668 HydrophobicContact CB-CB 4.01Å; C663-L668 WeakPolarHBondContact CB-O 3.25Å; C663-L668 PolarHBondContact O-N 2.66Å; C663-E670 HydrophobicContact CB-CB 4.39Å
664	R	83.2	Confident	81.1	Confident	97 Å²	97	61.2 Å²	61.2	37%	0.366	30%	0.296	S	S	.	.	H	α-helix	trans	-58	-46	179.7	-75.4	-178.2	-169.7	179.3	1.7	112.9	R660 R666 G667 S750	R660-R664 WeakPolarHBondContact O-CG 3.31Å; R660-R664 PolarHBondContact O-N 2.61Å; R664-R666 PolarHBondContact O-N 3.42Å; R664-R666 VanDerWaalsContact O-N 3.12Å; R664-G667 PolarHBondContact O-N 2.85Å; R664-G667 VanDerWaalsContact O-N 3.09Å; R664-S750 PolarHBondContact NH1-O 3.32Å; R664-S750 PolarHBondContact NH2-OG 2.87Å
665	R	85.8	Confident	81.4	Confident	151 Å²	151	56.6 Å²	56.6	57%	0.57	27%	0.274	S	S	*	.	H	α-helix	trans	-59.2	-23.5	178.1	-76.5	176.1	174.6	-176.2	-6.8	113.6	K661 C663	K661-R665 VanDerWaalsContact CE-NH2 3.33Å; K661-R665 WeakPolarHBondContact O-CG 3.38Å; K661-R665 PolarHBondContact O-N 2.86Å; K661-R665 VanDerWaalsContact O-N 3.11Å; C663-R665 PolarHBondContact O-N 3.15Å
666	R	87.8	Confident	82.9	Confident	50 Å²	50	44 Å²	44	19%	0.189	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	5.1	-178.6	-70.1	179.8	173.6	79.4	-1	112.9	S627 C628 C663 R664 L668	S627-R666 PolarHBondContact O-NE 2.9Å; C628-R666 PolarHBondContact SG-O 2.92Å; C663-R666 CarbonylContact O-C 3.56Å; C663-R666 PolarHBondContact O-N 3.29Å; R664-R666 PolarHBondContact O-N 3.42Å; R664-R666 VanDerWaalsContact O-N 3.12Å; R666-L668 VanDerWaalsContact C-N 3.28Å; R666-L668 HydrophobicContact CB-CD1 3.93Å; R666-L668 HydrophobicContact CB-CG 3.93Å; R666-L668 PolarHBondContact O-N 3.43Å
667	G	85.6	Confident	84.6	Confident	6 Å²	6	41.7 Å²	41.7	6%	0.062	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	39.4	-175.4	0	0	0	0	0	113.1	L615 C663 R664	L615-G667 VanDerWaalsContact CB-O 3.29Å; L615-G667 WeakPolarHBondContact CB-O 3.33Å; L615-G667 WeakPolarHBondContact CG-O 3.35Å; L615-G667 PolarHBondContact N-O 3.26Å; C663-G667 PolarHBondContact O-N 3.36Å; R664-G667 PolarHBondContact O-N 2.85Å; R664-G667 VanDerWaalsContact O-N 3.09Å
668	L	87.2	Confident	85.8	Confident	8 Å²	8	39.3 Å²	39.3	4%	0.042	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-101.1	140.1	177.6	-62.4	172.4	0	0	0	111.5	P613 F614 L631 T644 W662 C663 R666	P613-L668 HydrophobicContact CB-CD2 4.33Å; P613-L668 CarbonylContact O-C 3.56Å; P613-L668 VanDerWaalsContact O-CA 3.31Å; P613-L668 WeakPolarHBondContact O-CA 3.4Å; F614-L668 HydrophobicContact CD1-CD2 3.49Å; F614-L668 VanDerWaalsContact CD1-CD2 3.49Å; F614-L668 HydrophobicContact CD2-CD2 4.27Å; F614-L668 HydrophobicContact CE1-CD2 3.62Å; F614-L668 HydrophobicContact CE2-CD2 4.38Å; F614-L668 HydrophobicContact CG-CD2 3.85Å; F614-L668 HydrophobicContact CZ-CD2 4.08Å; L631-L668 HydrophobicContact CD1-CD1 4.49Å; T644-L668 HydrophobicContact CG2-CD1 3.8Å; T644-L668 HydrophobicContact CG2-CD2 4.08Å; W662-L668 HydrophobicContact CE3-CD1 4.2Å; W662-L668 HydrophobicContact CH2-CD1 3.74Å; W662-L668 HydrophobicContact CZ3-CD1 3.37Å; C663-L668 HydrophobicContact CB-CB 4.01Å; C663-L668 WeakPolarHBondContact CB-O 3.25Å; C663-L668 PolarHBondContact O-N 2.66Å; R666-L668 VanDerWaalsContact C-N 3.28Å; R666-L668 HydrophobicContact CB-CD1 3.93Å; R666-L668 HydrophobicContact CB-CG 3.93Å; R666-L668 PolarHBondContact O-N 3.43Å
669	E	85.2	Confident	86.2	Confident	47 Å²	47	38.1 Å²	38.1	22%	0.22	16%	0.159	C	C	.	.			trans	-90.7	103.7	171.9	-178.4	57.7	-141.7	0	0	110.6	P613 L615 Q671 R672	P613-E669 PolarHBondContact O-N 3.06Å; L615-E669 HydrophobicContact CD2-CB 4.11Å; E669-Q671 HydrophobicContact CG-CB 4.17Å; E669-Q671 PolarHBondContact O-N 3.12Å; E669-Q671 VanDerWaalsContact O-N 3.17Å; E669-Q671 WeakPolarHBondContact OE1-CB 3.49Å; E669-R672 HydrophobicContact CB-CG 4.03Å; E669-R672 HydrophobicContact CG-CG 3.91Å; E669-R672 WeakPolarHBondContact O-CB 3.4Å; E669-R672 PolarHBondContact O-N 3.49Å
670	E	86.9	Confident	86.5	Confident	15 Å²	15	38.2 Å²	38.2	7%	0.07	16%	0.159	C	C	.	.	H	α-helix	trans	-59.6	-30.8	-176.2	-170.6	172.7	-143.7	0	0	112.8	W648 K652 S659 R660 C663 R672 L673 Y674	W648-E670 HydrophobicContact CZ2-CG 4.23Å; W648-E670 PolarHBondContact NE1-OE1 3.05Å; K652-E670 WeakPolarHBondContact CE-OE1 3.33Å; K652-E670 IonicContact NZ-OE1 3.59Å; K652-E670 PolarHBondContact NZ-OE1 2.65Å; S659-E670 VanDerWaalsContact CB-OE1 3.27Å; S659-E670 WeakPolarHBondContact CB-OE1 3.35Å; S659-E670 PolarHBondContact OG-OE1 2.87Å; R660-E670 WeakPolarHBondContact CG-OE2 3.27Å; C663-E670 HydrophobicContact CB-CB 4.39Å; E670-R672 PolarHBondContact O-N 2.89Å; E670-L673 WeakPolarHBondContact O-CB 3.29Å; E670-L673 PolarHBondContact O-N 3.45Å; E670-L673 VanDerWaalsContact O-N 3.08Å; E670-Y674 HydrophobicContact CG-CD2 4.31Å; E670-Y674 HydrophobicContact CG-CE2 3.82Å; E670-Y674 PolarHBondContact O-N 3.42Å; E670-Y674 VanDerWaalsContact O-N 3.1Å
671	Q	82.7	Confident	86.7	Confident	38 Å²	38	37.3 Å²	37.3	18%	0.178	16%	0.155	C	C	.	.	H	α-helix	trans	-57.9	-35.4	176.8	-177.3	59.1	23.7	0	0	112.7	E669 Y674 E675 Q772	E669-Q671 HydrophobicContact CG-CB 4.17Å; E669-Q671 PolarHBondContact O-N 3.12Å; E669-Q671 VanDerWaalsContact O-N 3.17Å; E669-Q671 WeakPolarHBondContact OE1-CB 3.49Å; Q671-Y674 PolarHBondContact O-N 2.94Å; Q671-E675 WeakPolarHBondContact O-CG 3.5Å; Q671-E675 PolarHBondContact O-N 3.44Å; Q671-E675 VanDerWaalsContact O-N 3.09Å; Q671-Q772 VanDerWaalsContact OE1-CD 3.25Å
672	R	85.9	Confident	86.6	Confident	45 Å²	45	33.2 Å²	33.2	17%	0.17	14%	0.138	C	C	.	.	H	α-helix	trans	-68.6	-36.5	177.7	-57.6	-57.4	170.3	-176.5	3.1	111.6	V610 P613 E669 E670 E675 M676	V610-R672 HydrophobicContact CG1-CB 4.15Å; P613-R672 HydrophobicContact CB-CB 4.07Å; E669-R672 HydrophobicContact CB-CG 4.03Å; E669-R672 HydrophobicContact CG-CG 3.91Å; E669-R672 WeakPolarHBondContact O-CB 3.4Å; E669-R672 PolarHBondContact O-N 3.49Å; E670-R672 PolarHBondContact O-N 2.89Å; R672-E675 WeakPolarHBondContact CD-OE2 3.22Å; R672-E675 IonicContact CZ-OE2 2.87Å; R672-E675 IonicContact NH1-OE1 2.7Å; R672-E675 IonicContact NH1-OE2 3.21Å; R672-E675 PolarHBondContact NH1-OE2 2.95Å; R672-E675 WeakPolarHBondContact O-CB 3.42Å; R672-E675 PolarHBondContact O-N 3.27Å; R672-M676 VanDerWaalsContact O-CG 3.3Å; R672-M676 WeakPolarHBondContact O-CG 3.1Å; R672-M676 PolarHBondContact O-N 3.49Å
673	L	90.1	Very high	86.5	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-65.9	-39.6	175.4	-59	171	0	0	0	111	P613 W648 E670 E675 M676 V677	P613-L673 HydrophobicContact CB-CD2 4.09Å; P613-L673 HydrophobicContact CB-CG 4.34Å; P613-L673 HydrophobicContact CG-CD2 4.3Å; W648-L673 HydrophobicContact CB-CD1 3.91Å; W648-L673 VanDerWaalsContact CD1-CD1 3.48Å; W648-L673 HydrophobicContact CD2-CB 3.85Å; W648-L673 HydrophobicContact CD2-CD1 3.81Å; W648-L673 HydrophobicContact CD2-CG 4.37Å; W648-L673 HydrophobicContact CE3-CB 3.99Å; W648-L673 HydrophobicContact CG-CB 4.42Å; W648-L673 HydrophobicContact CG-CD1 3.46Å; W648-L673 VanDerWaalsContact CG-CD1 3.46Å; W648-L673 HydrophobicContact CG-CG 4.44Å; W648-L673 HydrophobicContact CH2-CB 4.13Å; W648-L673 HydrophobicContact CZ2-CB 3.97Å; W648-L673 HydrophobicContact CZ3-CB 4.14Å; E670-L673 WeakPolarHBondContact O-CB 3.29Å; E670-L673 PolarHBondContact O-N 3.45Å; E670-L673 VanDerWaalsContact O-N 3.08Å; L673-E675 VanDerWaalsContact C-N 3.34Å; L673-E675 PolarHBondContact O-N 3.46Å; L673-M676 HydrophobicContact CD2-SD 3.85Å; L673-M676 WeakPolarHBondContact O-CB 3.39Å; L673-M676 PolarHBondContact O-N 3.17Å; L673-V677 WeakPolarHBondContact O-CG2 3.46Å; L673-V677 PolarHBondContact O-N 3.41Å
674	Y	86.3	Confident	86.5	Confident	11 Å²	11	33.4 Å²	33.4	4%	0.043	14%	0.139	C	C	.	.	H	α-helix	trans	-62	-39.2	171.2	-68.7	-51.2	0	0	0	112.9	W648 K652 E670 Q671 M676 V677 N678 Q772 F776	W648-Y674 AromaticContact CH2-CD1 3.75Å; W648-Y674 HydrophobicContact CH2-CD1 3.75Å; W648-Y674 AromaticContact CH2-CE1 3.98Å; W648-Y674 HydrophobicContact CH2-CE1 3.98Å; W648-Y674 AromaticContact CZ2-CD1 3.8Å; W648-Y674 HydrophobicContact CZ2-CD1 3.8Å; W648-Y674 AromaticContact CZ2-CE1 3.69Å; W648-Y674 HydrophobicContact CZ2-CE1 3.69Å; W648-Y674 HydrophobicContact CZ2-CG 4.5Å; K652-Y674 PolarHBondContact NZ-OH 2.81Å; E670-Y674 HydrophobicContact CG-CD2 4.31Å; E670-Y674 HydrophobicContact CG-CE2 3.82Å; E670-Y674 PolarHBondContact O-N 3.42Å; E670-Y674 VanDerWaalsContact O-N 3.1Å; Q671-Y674 PolarHBondContact O-N 2.94Å; Y674-M676 VanDerWaalsContact C-N 3.35Å; Y674-V677 PolarHBondContact O-N 2.91Å; Y674-N678 PolarHBondContact O-N 2.96Å; Y674-N678 PolarHBondContact O-ND2 3.19Å; Y674-Q772 HydrophobicContact CE2-CB 4.11Å; Y674-F776 HydrophobicContact CD1-CB 4.25Å; Y674-F776 AromaticContact CD1-CD2 3.49Å; Y674-F776 HydrophobicContact CD1-CD2 3.49Å; Y674-F776 VanDerWaalsContact CD1-CD2 3.49Å; Y674-F776 HydrophobicContact CD1-CE2 4.07Å; Y674-F776 HydrophobicContact CD1-CG 4.03Å; Y674-F776 HydrophobicContact CE1-CB 3.86Å; Y674-F776 HydrophobicContact CE1-CD1 4.37Å; Y674-F776 AromaticContact CE1-CD2 3.63Å; Y674-F776 HydrophobicContact CE1-CD2 3.63Å; Y674-F776 HydrophobicContact CE1-CE2 4.26Å; Y674-F776 AromaticContact CE1-CG 3.7Å; Y674-F776 HydrophobicContact CE1-CG 3.7Å
675	E	84.3	Confident	86.6	Confident	31 Å²	31	32.7 Å²	32.7	15%	0.145	14%	0.143	C	C	.	.	H	α-helix	trans	-61.8	-43	174.1	-70.9	177.2	165.5	0	0	111.2	V610 Q671 R672 L673 V677 N678 L679	V610-E675 HydrophobicContact CG1-CB 4.12Å; V610-E675 WeakPolarHBondContact CG1-OE2 3.26Å; V610-E675 HydrophobicContact CG2-CB 4.12Å; Q671-E675 WeakPolarHBondContact O-CG 3.5Å; Q671-E675 PolarHBondContact O-N 3.44Å; Q671-E675 VanDerWaalsContact O-N 3.09Å; R672-E675 WeakPolarHBondContact CD-OE2 3.22Å; R672-E675 IonicContact CZ-OE2 2.87Å; R672-E675 IonicContact NH1-OE1 2.7Å; R672-E675 IonicContact NH1-OE2 3.21Å; R672-E675 PolarHBondContact NH1-OE2 2.95Å; R672-E675 WeakPolarHBondContact O-CB 3.42Å; R672-E675 PolarHBondContact O-N 3.27Å; L673-E675 VanDerWaalsContact C-N 3.34Å; L673-E675 PolarHBondContact O-N 3.46Å; E675-V677 PolarHBondContact O-N 2.99Å; E675-N678 PolarHBondContact O-N 3.11Å; E675-L679 PolarHBondContact O-N 3.21Å
676	M	90	Very high	86.3	Confident	2 Å²	2	26.7 Å²	26.7	1%	0.01	12%	0.122	C	C	.	.	H	α-helix	trans	-59.4	-46	176	-68.4	168.3	61.4	0	0	112.3	T603 A606 A607 V610 F645 R672 L673 Y674 N678 L679 R680	T603-M676 HydrophobicContact CG2-CE 4.38Å; A606-M676 HydrophobicContact CB-CB 4.37Å; A607-M676 HydrophobicContact CB-CE 3.48Å; A607-M676 VanDerWaalsContact CB-CE 3.48Å; A607-M676 HydrophobicContact CB-SD 4.34Å; V610-M676 HydrophobicContact CB-CG 4.34Å; V610-M676 HydrophobicContact CG2-CG 4.18Å; F645-M676 HydrophobicContact CB-CE 3.88Å; F645-M676 HydrophobicContact CD2-CB 4.14Å; F645-M676 HydrophobicContact CD2-CE 3.65Å; F645-M676 HydrophobicContact CD2-SD 4.48Å; F645-M676 HydrophobicContact CE2-CB 4.01Å; F645-M676 HydrophobicContact CG-CE 4.05Å; R672-M676 VanDerWaalsContact O-CG 3.3Å; R672-M676 WeakPolarHBondContact O-CG 3.1Å; R672-M676 PolarHBondContact O-N 3.49Å; L673-M676 HydrophobicContact CD2-SD 3.85Å; L673-M676 WeakPolarHBondContact O-CB 3.39Å; L673-M676 PolarHBondContact O-N 3.17Å; Y674-M676 VanDerWaalsContact C-N 3.35Å; M676-N678 VanDerWaalsContact C-N 3.3Å; M676-N678 PolarHBondContact O-N 2.79Å; M676-L679 PolarHBondContact O-N 3.31Å; M676-R680 WeakPolarHBondContact O-CB 3.49Å; M676-R680 PolarHBondContact O-N 2.93Å
677	V	89.7	Confident	86.1	Confident	1 Å²	1	24.5 Å²	24.5	1%	0.006	11%	0.114	C	C	.	.	H	α-helix	trans	-59.1	-43.3	176.8	-177.9	0	0	0	0	111.1	F645 W648 L673 Y674 E675 L679 R681 F776 L785	F645-V677 HydrophobicContact CE2-CG2 3.53Å; F645-V677 HydrophobicContact CZ-CG2 3.72Å; W648-V677 HydrophobicContact CH2-CG2 3.9Å; W648-V677 HydrophobicContact CZ3-CG2 3.52Å; L673-V677 WeakPolarHBondContact O-CG2 3.46Å; L673-V677 PolarHBondContact O-N 3.41Å; Y674-V677 PolarHBondContact O-N 2.91Å; E675-V677 PolarHBondContact O-N 2.99Å; V677-L679 VanDerWaalsContact C-N 3.33Å; V677-L679 PolarHBondContact O-N 2.88Å; V677-R681 PolarHBondContact O-N 3.38Å; V677-R681 VanDerWaalsContact O-N 3.13Å; V677-F776 HydrophobicContact CB-CE2 4.33Å; V677-F776 HydrophobicContact CG1-CE2 4.06Å; V677-F776 HydrophobicContact CG2-CE2 4.06Å; V677-L785 HydrophobicContact CG1-CD1 3.91Å; V677-L785 HydrophobicContact CG1-CD2 4.41Å; V677-L785 HydrophobicContact CG2-CD2 4.34Å
678	N	84.9	Confident	86.1	Confident	22 Å²	22	28.4 Å²	28.4	12%	0.118	13%	0.127	C	C	.	.	H	α-helix	trans	-63.5	-41	179.4	-70.4	-47.1	0	0	0	111.7	Y674 E675 M676 Q682 H780	Y674-N678 PolarHBondContact O-N 2.96Å; Y674-N678 PolarHBondContact O-ND2 3.19Å; E675-N678 PolarHBondContact O-N 3.11Å; M676-N678 VanDerWaalsContact C-N 3.3Å; M676-N678 PolarHBondContact O-N 2.79Å; N678-Q682 PolarHBondContact O-N 3.4Å; N678-Q682 PolarHBondContact O-NE2 3.43Å; N678-H780 PolarHBondContact OD1-CE1 3.02Å; N678-H780 PolarHBondContact OD1-NE2 2.7Å
679	L	86.3	Confident	85.6	Confident	5 Å²	5	32 Å²	32	3%	0.026	15%	0.153	C	C	.	.	H	α-helix	trans	-68.2	-48.5	177.3	-89.8	170.4	0	0	0	112.5	F238 A606 V610 E675 M676 V677 R681 Q682 F683	F238-L679 HydrophobicContact CE1-CD2 3.61Å; F238-L679 HydrophobicContact CE1-CG 4.14Å; F238-L679 HydrophobicContact CE2-CD2 4.23Å; F238-L679 HydrophobicContact CE2-CG 4.12Å; F238-L679 HydrophobicContact CZ-CD1 4.25Å; F238-L679 HydrophobicContact CZ-CD2 3.21Å; F238-L679 HydrophobicContact CZ-CG 3.54Å; A606-L679 HydrophobicContact CB-CB 3.86Å; V610-L679 HydrophobicContact CG2-CD1 3.3Å; E675-L679 PolarHBondContact O-N 3.21Å; M676-L679 PolarHBondContact O-N 3.31Å; V677-L679 VanDerWaalsContact C-N 3.33Å; V677-L679 PolarHBondContact O-N 2.88Å; L679-R681 VanDerWaalsContact C-N 3.3Å; L679-R681 PolarHBondContact O-N 3.28Å; L679-Q682 WeakPolarHBondContact O-CA 3.46Å; L679-Q682 WeakPolarHBondContact O-CB 3.33Å; L679-Q682 PolarHBondContact O-N 2.87Å; L679-F683 HydrophobicContact CB-CE2 4.24Å; L679-F683 HydrophobicContact CB-CZ 4.46Å; L679-F683 HydrophobicContact CD2-CE1 3.98Å; L679-F683 HydrophobicContact CD2-CE2 4.22Å; L679-F683 HydrophobicContact CD2-CZ 3.62Å; L679-F683 WeakPolarHBondContact O-CG 3.45Å; L679-F683 PolarHBondContact O-N 3.35Å
680	R	90.1	Very high	85.2	Confident	10 Å²	10	33 Å²	33	4%	0.038	16%	0.157	C	C	.	.	H	α-helix	trans	-49.6	-50.8	175.3	-177	-168.1	170.9	79.9	-11	111.1	E599 L602 T603 A606 M676 Q682 F683 K684	E599-R680 PolarHBondContact O-NH1 3.47Å; E599-R680 IonicContact OE2-CZ 2.73Å; E599-R680 VanDerWaalsContact OE2-CZ 3.26Å; E599-R680 IonicContact OE2-NE 3.52Å; E599-R680 IonicContact OE2-NH2 3.18Å; E599-R680 PolarHBondContact OE2-NH2 3.49Å; L602-R680 HydrophobicContact CB-CG 3.86Å; T603-R680 VanDerWaalsContact N-NH1 3.19Å; T603-R680 PolarHBondContact OG1-NH1 2.85Å; A606-R680 HydrophobicContact CB-CB 4.21Å; M676-R680 WeakPolarHBondContact O-CB 3.49Å; M676-R680 PolarHBondContact O-N 2.93Å; R680-Q682 VanDerWaalsContact C-N 3.31Å; R680-Q682 PolarHBondContact O-N 3.37Å; R680-F683 PolarHBondContact O-N 3.12Å; R680-K684 WeakPolarHBondContact O-CB 3.36Å; R680-K684 PolarHBondContact O-N 3.48Å
681	R	86.6	Confident	84.6	Confident	80 Å²	80	35.4 Å²	35.4	30%	0.302	19%	0.186	S	C	.	.	H	α-helix	trans	-60.5	-38.6	177.7	-176	-176	63.8	-174.6	-1.4	112.7	V677 L679 K684 N685 R779 H780	V677-R681 PolarHBondContact O-N 3.38Å; V677-R681 VanDerWaalsContact O-N 3.13Å; L679-R681 VanDerWaalsContact C-N 3.3Å; L679-R681 PolarHBondContact O-N 3.28Å; R681-K684 PolarHBondContact O-N 2.95Å; R681-N685 WeakPolarHBondContact O-CB 3.21Å; R681-N685 PolarHBondContact O-N 3.1Å; R681-N685 PolarHBondContact O-OD1 2.83Å; R681-R779 PolarHBondContact NH1-O 3.44Å; R681-H780 PolarHBondContact NH1-CE1 2.87Å; R681-H780 VanDerWaalsContact NH1-CE1 3.32Å; R681-H780 PolarHBondContact NH1-ND1 3.49Å
682	Q	82.4	Confident	84.3	Confident	42 Å²	42	34.8 Å²	34.8	20%	0.196	18%	0.184	C	C	.	.	H	α-helix	trans	-72.6	-41.3	179.4	-83.3	164.9	73.7	0	0	113	F238 N678 L679 R680 K684 N685 L686	F238-Q682 VanDerWaalsContact CE1-CD 3.41Å; N678-Q682 PolarHBondContact O-N 3.4Å; N678-Q682 PolarHBondContact O-NE2 3.43Å; L679-Q682 WeakPolarHBondContact O-CA 3.46Å; L679-Q682 WeakPolarHBondContact O-CB 3.33Å; L679-Q682 PolarHBondContact O-N 2.87Å; R680-Q682 VanDerWaalsContact C-N 3.31Å; R680-Q682 PolarHBondContact O-N 3.37Å; Q682-K684 VanDerWaalsContact C-N 3.26Å; Q682-K684 PolarHBondContact O-N 2.88Å; Q682-N685 PolarHBondContact O-N 3.23Å; Q682-L686 WeakPolarHBondContact O-CB 3.32Å; Q682-L686 VanDerWaalsContact O-CG 3.25Å; Q682-L686 WeakPolarHBondContact O-CG 3.23Å; Q682-L686 PolarHBondContact O-N 3.33Å
683	F	87.4	Confident	83.8	Confident	1 Å²	1	34 Å²	34	0%	0.004	18%	0.184	C	C	.	.	H	α-helix	trans	-59.3	-43.6	172	-62.2	-27.1	0	0	0	109.8	V581 L589 L602 A605 A606 L679 R680 N685 L686 L687	V581-F683 HydrophobicContact CG1-CE1 3.36Å; V581-F683 HydrophobicContact CG1-CE2 4.31Å; V581-F683 HydrophobicContact CG1-CZ 3.21Å; L589-F683 HydrophobicContact CD1-CB 3.98Å; L589-F683 HydrophobicContact CD1-CD1 3.84Å; L589-F683 HydrophobicContact CD1-CD2 3.94Å; L589-F683 HydrophobicContact CD1-CE1 4.31Å; L589-F683 HydrophobicContact CD1-CE2 4.37Å; L589-F683 HydrophobicContact CD1-CG 3.66Å; L589-F683 HydrophobicContact CD2-CB 3.97Å; L589-F683 HydrophobicContact CD2-CD2 4.15Å; L589-F683 HydrophobicContact CD2-CG 4.22Å; L602-F683 HydrophobicContact CD2-CB 3.34Å; A605-F683 HydrophobicContact CB-CD2 4.16Å; A605-F683 HydrophobicContact CB-CE2 4.11Å; A606-F683 HydrophobicContact CB-CE2 4.28Å; L679-F683 HydrophobicContact CB-CE2 4.24Å; L679-F683 HydrophobicContact CB-CZ 4.46Å; L679-F683 HydrophobicContact CD2-CE1 3.98Å; L679-F683 HydrophobicContact CD2-CE2 4.22Å; L679-F683 HydrophobicContact CD2-CZ 3.62Å; L679-F683 WeakPolarHBondContact O-CG 3.45Å; L679-F683 PolarHBondContact O-N 3.35Å; R680-F683 PolarHBondContact O-N 3.12Å; F683-N685 PolarHBondContact O-N 3.34Å; F683-L686 HydrophobicContact CD1-CD1 4.45Å; F683-L686 PolarHBondContact O-N 3.1Å; F683-L687 WeakPolarHBondContact O-CB 3.44Å; F683-L687 VanDerWaalsContact O-CG 3.27Å; F683-L687 WeakPolarHBondContact O-CG 3.29Å; F683-L687 PolarHBondContact O-N 2.78Å
684	K	87.9	Confident	82.8	Confident	39 Å²	39	42.4 Å²	42.4	17%	0.17	22%	0.224	C	C	.	.	H	α-helix	trans	-58.3	-46.8	173.4	-168.1	165.1	-179.7	166	0	112.4	E599 L602 R680 R681 Q682 L687 R688	E599-K684 IonicContact OE1-NZ 2.66Å; E599-K684 PolarHBondContact OE1-NZ 3.36Å; L602-K684 HydrophobicContact CD1-CB 3.84Å; L602-K684 HydrophobicContact CD1-CD 4.14Å; L602-K684 HydrophobicContact CD1-CG 4.12Å; L602-K684 HydrophobicContact CD2-CB 4.32Å; R680-K684 WeakPolarHBondContact O-CB 3.36Å; R680-K684 PolarHBondContact O-N 3.48Å; R681-K684 PolarHBondContact O-N 2.95Å; Q682-K684 VanDerWaalsContact C-N 3.26Å; Q682-K684 PolarHBondContact O-N 2.88Å; K684-L687 PolarHBondContact O-N 2.89Å; K684-R688 WeakPolarHBondContact O-CB 3.37Å; K684-R688 WeakPolarHBondContact O-CG 3.39Å; K684-R688 PolarHBondContact O-N 2.74Å
685	N	84.8	Confident	81.4	Confident	82 Å²	82	45.6 Å²	45.6	44%	0.439	25%	0.247	S	C	.	.	H	α-helix	trans	-65.2	-38.1	177.4	-71.1	-7	0	0	0	112.8	R681 Q682 F683 R688 S689	R681-N685 WeakPolarHBondContact O-CB 3.21Å; R681-N685 PolarHBondContact O-N 3.1Å; R681-N685 PolarHBondContact O-OD1 2.83Å; Q682-N685 PolarHBondContact O-N 3.23Å; F683-N685 PolarHBondContact O-N 3.34Å; N685-R688 PolarHBondContact O-N 2.93Å; N685-S689 WeakPolarHBondContact O-CB 3.38Å; N685-S689 PolarHBondContact O-N 2.78Å; N685-S689 PolarHBondContact O-OG 2.75Å
686	L	80.1	Confident	80	Confident	25 Å²	25	50 Å²	50	13%	0.131	27%	0.268	C	S	.	.	H	α-helix	trans	-65.5	-48.2	176	-75.4	167.5	0	0	0	110.1	L579 P580 Q682 F683 R688 S689 H690	L579-L686 HydrophobicContact CD2-CB 4.05Å; L579-L686 HydrophobicContact CD2-CD1 4.01Å; P580-L686 HydrophobicContact CG-CD1 4.21Å; Q682-L686 WeakPolarHBondContact O-CB 3.32Å; Q682-L686 VanDerWaalsContact O-CG 3.25Å; Q682-L686 WeakPolarHBondContact O-CG 3.23Å; Q682-L686 PolarHBondContact O-N 3.33Å; F683-L686 HydrophobicContact CD1-CD1 4.45Å; F683-L686 PolarHBondContact O-N 3.1Å; L686-R688 VanDerWaalsContact C-N 3.29Å; L686-R688 PolarHBondContact O-N 2.83Å; L686-S689 WeakPolarHBondContact CA-OG 3.28Å; L686-S689 PolarHBondContact O-N 3.24Å; L686-S689 VanDerWaalsContact O-N 3.17Å; L686-S689 PolarHBondContact O-OG 3.28Å; L686-H690 PolarHBondContact O-N 2.93Å; L686-H690 PolarHBondContact O-ND1 3.07Å
687	L	83.7	Confident	77.5	Confident	4 Å²	4	56.8 Å²	56.8	2%	0.021	30%	0.304	C	S	.	.	H	α-helix	trans	-58.8	-41.5	176	-66.8	176.8	0	0	0	111.6	L589 V598 L602 F683 K684 H690 G691 L692 V693	L589-L687 HydrophobicContact CB-CD2 4.37Å; V598-L687 HydrophobicContact CG1-CD1 4.31Å; L602-L687 HydrophobicContact CD2-CD1 4.09Å; F683-L687 WeakPolarHBondContact O-CB 3.44Å; F683-L687 VanDerWaalsContact O-CG 3.27Å; F683-L687 WeakPolarHBondContact O-CG 3.29Å; F683-L687 PolarHBondContact O-N 2.78Å; K684-L687 PolarHBondContact O-N 2.89Å; L687-H690 PolarHBondContact O-N 3.35Å; L687-G691 PolarHBondContact O-N 3.13Å; L687-L692 HydrophobicContact CB-CB 4.36Å; L687-L692 HydrophobicContact CD2-CB 4.35Å; L687-L692 HydrophobicContact CD2-CD1 3.67Å; L687-L692 PolarHBondContact O-N 3.48Å; L687-V693 HydrophobicContact CB-CB 4.44Å; L687-V693 HydrophobicContact CB-CG2 3.74Å; L687-V693 HydrophobicContact CD1-CG2 4.2Å
688	R	84.9	Confident	75.4	Confident	88 Å²	88	65.3 Å²	65.3	33%	0.332	34%	0.336	S	S	.	.	H	α-helix	trans	-61.5	-45.7	173.1	-76.5	177.1	171.5	175.8	-3.4	112.8	K684 N685 L686 H690 G691 V693	K684-R688 WeakPolarHBondContact O-CB 3.37Å; K684-R688 WeakPolarHBondContact O-CG 3.39Å; K684-R688 PolarHBondContact O-N 2.74Å; N685-R688 PolarHBondContact O-N 2.93Å; L686-R688 VanDerWaalsContact C-N 3.29Å; L686-R688 PolarHBondContact O-N 2.83Å; R688-H690 PolarHBondContact O-N 2.79Å; R688-G691 PolarHBondContact O-N 3.11Å; R688-V693 HydrophobicContact CG-CB 4.08Å; R688-V693 HydrophobicContact CG-CG1 4.2Å
689	S	78.5	Confident	73.3	Confident	85 Å²	85	68.6 Å²	68.6	59%	0.594	37%	0.366	S	S	*	.	H	α-helix	trans	-63.5	-21.8	179.7	63.4	0	0	0	0	113.8	N685 L686	N685-S689 WeakPolarHBondContact O-CB 3.38Å; N685-S689 PolarHBondContact O-N 2.78Å; N685-S689 PolarHBondContact O-OG 2.75Å; L686-S689 WeakPolarHBondContact CA-OG 3.28Å; L686-S689 PolarHBondContact O-N 3.24Å; L686-S689 VanDerWaalsContact O-N 3.17Å; L686-S689 PolarHBondContact O-OG 3.28Å
690	H	74.9	Confident	71.3	Confident	67 Å²	67	72.9 Å²	72.9	31%	0.31	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	11.3	175.8	-60.8	89.6	0	0	0	112.8	L575 Q578 L686 L687 R688 L692	L575-H690 HydrophobicContact CD2-CB 3.96Å; Q578-H690 PolarHBondContact OE1-CD2 3.44Å; Q578-H690 VanDerWaalsContact OE1-CD2 3.28Å; Q578-H690 PolarHBondContact OE1-NE2 3.07Å; L686-H690 PolarHBondContact O-N 2.93Å; L686-H690 PolarHBondContact O-ND1 3.07Å; L687-H690 PolarHBondContact O-N 3.35Å; R688-H690 PolarHBondContact O-N 2.79Å; H690-L692 HydrophobicContact CB-CD1 4.5Å; H690-L692 HydrophobicContact CB-CG 4.42Å; H690-L692 PolarHBondContact O-N 2.93Å
691	G	74.8	Confident	69.5	Low	66 Å²	66	76.4 Å²	76.4	68%	0.68	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.4	14.7	177.3	0	0	0	0	0	115.2	L687 R688	L687-G691 PolarHBondContact O-N 3.13Å; R688-G691 PolarHBondContact O-N 3.11Å
692	L	76.1	Confident	67.8	Low	24 Å²	24	78.3 Å²	78.3	13%	0.126	45%	0.446	C	S	.	.	S	Bend	trans	-84.1	-16.2	-179.1	-64.9	174.2	0	0	0	113.3	L575 V590 S593 L687 H690	L575-L692 HydrophobicContact CD1-CD1 4.36Å; V590-L692 HydrophobicContact CG2-CD1 4.43Å; S593-L692 WeakPolarHBondContact CB-O 3.38Å; L687-L692 HydrophobicContact CB-CB 4.36Å; L687-L692 HydrophobicContact CD2-CB 4.35Å; L687-L692 HydrophobicContact CD2-CD1 3.67Å; L687-L692 PolarHBondContact O-N 3.48Å; H690-L692 HydrophobicContact CB-CD1 4.5Å; H690-L692 HydrophobicContact CB-CG 4.42Å; H690-L692 PolarHBondContact O-N 2.93Å
693	V	77.2	Confident	66.5	Low	29 Å²	29	78.3 Å²	78.3	18%	0.176	46%	0.458	C	S	.	.	S	Bend	trans	-135.2	130	179.2	176.3	0	0	0	0	107.9	V598 L687 R688	V598-V693 HydrophobicContact CG1-CG2 4.02Å; V598-V693 HydrophobicContact CG2-CG2 4.23Å; L687-V693 HydrophobicContact CB-CB 4.44Å; L687-V693 HydrophobicContact CB-CG2 3.74Å; L687-V693 HydrophobicContact CD1-CG2 4.2Å; R688-V693 HydrophobicContact CG-CB 4.08Å; R688-V693 HydrophobicContact CG-CG1 4.2Å
694	E	67.9	Low	65.1	Low	177 Å²	177	79.9 Å²	79.9	83%	0.827	47%	0.466	S	S	*	.			trans	-59.9	143.4	178.8	-64.8	-177.3	168.1	0	0	111.8	E696	E694-E696 PolarHBondContact O-N 3Å
695	S	57.3	Low	64	Low	78 Å²	78	88.1 Å²	88.1	55%	0.545	50%	0.496	S	S	.	.			trans	-73.4	116.7	165.5	45.2	0	0	0	0	108.2	D697	S695-D697 PolarHBondContact O-N 3.32Å; S695-D697 PolarHBondContact OG-OD2 2.74Å
696	E	54.2	Low	63.2	Low	123 Å²	123	91.3 Å²	91.3	58%	0.575	51%	0.509	S	S	*	.			trans	-69.5	80.2	166.8	-72.8	-177.8	122.6	0	0	108.8	E694 R698	E694-E696 PolarHBondContact O-N 3Å; E696-R698 PolarHBondContact O-N 3.24Å; E696-R698 IonicContact OE1-NH2 2.74Å
697	D	38.7	Very low	62.5	Low	145 Å²	145	95.4 Å²	95.4	78%	0.775	53%	0.527	S	S	*	.			trans	-77	68.5	165.6	-72.4	-44.1	0	0	0	108.4	S695 A699	S695-D697 PolarHBondContact O-N 3.32Å; S695-D697 PolarHBondContact OG-OD2 2.74Å; D697-A699 PolarHBondContact O-N 3.03Å
698	R	45.5	Very low	61.8	Low	180 Å²	180	102 Å²	102	68%	0.679	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-65.8	116.9	169.4	-75.7	-171.4	-176.6	178.8	5.4	108.4	E696	E696-R698 PolarHBondContact O-N 3.24Å; E696-R698 IonicContact OE1-NH2 2.74Å
699	A	40.9	Very low	61.2	Low	90 Å²	90	107.3 Å²	107.3	74%	0.744	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-56.5	133.4	169.6	0	0	0	0	0	109.6	D697 S701	D697-A699 PolarHBondContact O-N 3.03Å; A699-S701 PolarHBondContact O-N 3.05Å
700	P	44.4	Very low	61	Low	95 Å²	95	109.2 Å²	109.2	62%	0.617	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-66	120.4	-174.7	24.2	-31.5	0	0	0	110.8
701	S	51.1	Low	60.9	Low	84 Å²	84	109.7 Å²	109.7	59%	0.587	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-76.2	159.9	171.9	71.2	0	0	0	0	111.2	A699 G703 D704	A699-S701 PolarHBondContact O-N 3.05Å; S701-G703 PolarHBondContact O-N 3.17Å; S701-D704 WeakPolarHBondContact O-CB 3.49Å; S701-D704 PolarHBondContact O-N 2.86Å
702	S	50.6	Low	61	Low	120 Å²	120	113.6 Å²	113.6	84%	0.839	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.7	-26.7	-175.1	61.2	0	0	0	0	114.1	D704	S702-D704 PolarHBondContact O-N 3.31Å
703	G	56.2	Low	61.2	Low	43 Å²	43	116.4 Å²	116.4	44%	0.443	59%	0.587	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.5	-12.6	174.5	0	0	0	0	0	114.5	S701 R705	S701-G703 PolarHBondContact O-N 3.17Å; G703-R705 VanDerWaalsContact C-N 3.33Å; G703-R705 PolarHBondContact O-N 3.4Å
704	D	57.9	Low	61.3	Low	34 Å²	34	119.8 Å²	119.8	18%	0.182	60%	0.601	C	S	.	*	H	α-helix	trans	-77	-19.6	-175.6	-153.8	30.8	0	0	0	112.3	S701 S702 R708 R711	S701-D704 WeakPolarHBondContact O-CB 3.49Å; S701-D704 PolarHBondContact O-N 2.86Å; S702-D704 PolarHBondContact O-N 3.31Å; D704-R708 WeakPolarHBondContact O-CB 3.42Å; D704-R708 WeakPolarHBondContact O-CG 3.34Å; D704-R708 PolarHBondContact O-N 2.87Å; D704-R708 IonicContact OD2-CZ 3.48Å; D704-R708 IonicContact OD2-NE 2.78Å; D704-R708 PolarHBondContact OD2-NE 3.38Å; D704-R708 IonicContact OD2-NH2 3.51Å; D704-R708 PolarHBondContact OD2-NH2 3.12Å; D704-R711 IonicContact OD1-NH2 3.49Å; D704-R711 PolarHBondContact OD1-NH2 2.61Å
705	R	65	Low	61.8	Low	212 Å²	212	116.9 Å²	116.9	80%	0.8	58%	0.582	S	S	*	*	H	α-helix	trans	-69.7	-43.7	179.2	-78.3	-174	176.1	-176.3	0.2	113.2	G703 R708 R709	G703-R705 VanDerWaalsContact C-N 3.33Å; G703-R705 PolarHBondContact O-N 3.4Å; R705-R708 PolarHBondContact O-N 2.9Å; R705-R709 PolarHBondContact O-N 3.39Å; R705-R709 VanDerWaalsContact O-N 3.08Å
706	E	67.2	Low	62.9	Low	149 Å²	149	120.2 Å²	120.2	70%	0.696	59%	0.587	S	S	*	*	H	α-helix	trans	-71.3	-46	-179.5	-163.8	161.8	-149.3	0	0	110.3	R708 R709 E710	E706-R708 VanDerWaalsContact C-N 3.3Å; E706-R708 PolarHBondContact O-N 2.97Å; E706-R709 WeakPolarHBondContact O-CB 3.44Å; E706-R709 PolarHBondContact O-N 3.4Å; E706-E710 PolarHBondContact O-N 2.85Å
707	Q	66.5	Low	64.2	Low	110 Å²	110	121 Å²	121	51%	0.514	59%	0.589	S	S	.	*	H	α-helix	trans	-60.4	-34.7	172.3	-67.8	-177.8	1.8	0	0	113	R711	Q707-R711 VanDerWaalsContact O-CB 3.24Å; Q707-R711 WeakPolarHBondContact O-CB 3.31Å; Q707-R711 WeakPolarHBondContact O-CG 3.31Å; Q707-R711 PolarHBondContact O-N 2.71Å; Q707-R711 PolarHBondContact O-NE 2.91Å; Q707-R711 VanDerWaalsContact O-NE 3.09Å
708	R	67.3	Low	66.2	Low	144 Å²	144	115 Å²	115	54%	0.543	56%	0.556	S	S	.	*	H	α-helix	trans	-66.9	-39.5	172.8	-87.3	178.9	-166.9	-167.4	1.8	112.2	D704 R705 E706 R711 F712	D704-R708 WeakPolarHBondContact O-CB 3.42Å; D704-R708 WeakPolarHBondContact O-CG 3.34Å; D704-R708 PolarHBondContact O-N 2.87Å; D704-R708 IonicContact OD2-CZ 3.48Å; D704-R708 IonicContact OD2-NE 2.78Å; D704-R708 PolarHBondContact OD2-NE 3.38Å; D704-R708 IonicContact OD2-NH2 3.51Å; D704-R708 PolarHBondContact OD2-NH2 3.12Å; R705-R708 PolarHBondContact O-N 2.9Å; E706-R708 VanDerWaalsContact C-N 3.3Å; E706-R708 PolarHBondContact O-N 2.97Å; R708-R711 PolarHBondContact O-N 3.06Å; R708-F712 WeakPolarHBondContact O-CB 3.28Å; R708-F712 PolarHBondContact O-N 2.73Å
709	R	72.9	Confident	67.8	Low	199 Å²	199	110.3 Å²	110.3	75%	0.751	54%	0.542	S	S	*	.	H	α-helix	trans	-67	-45.5	179.1	-169.9	177.9	179.6	-177.8	-0.6	110.9	R705 E706 F712 T713	R705-R709 PolarHBondContact O-N 3.39Å; R705-R709 VanDerWaalsContact O-N 3.08Å; E706-R709 WeakPolarHBondContact O-CB 3.44Å; E706-R709 PolarHBondContact O-N 3.4Å; R709-F712 PolarHBondContact O-N 3.31Å; R709-T713 WeakPolarHBondContact O-CG2 3.49Å; R709-T713 PolarHBondContact O-N 2.96Å; R709-T713 PolarHBondContact O-OG1 3.48Å
710	E	73.8	Confident	69.5	Low	124 Å²	124	111.5 Å²	111.5	58%	0.579	53%	0.532	S	S	*	.	H	α-helix	trans	-58.6	-49.2	173.1	-70.1	-175.6	160.8	0	0	111	E706 F712 T713 E714	E706-E710 PolarHBondContact O-N 2.85Å; E710-F712 VanDerWaalsContact C-N 3.31Å; E710-F712 PolarHBondContact O-N 3.15Å; E710-T713 WeakPolarHBondContact CA-OG1 3.31Å; E710-T713 PolarHBondContact O-N 2.96Å; E710-T713 VanDerWaalsContact O-N 3.14Å; E710-T713 PolarHBondContact O-OG1 3.05Å; E710-E714 WeakPolarHBondContact O-CB 3.24Å; E710-E714 PolarHBondContact O-N 2.92Å
711	R	73.6	Confident	71.2	Confident	78 Å²	78	109.6 Å²	109.6	29%	0.294	52%	0.516	S	S	.	.	H	α-helix	trans	-57.4	-39.9	175.4	-79.7	-178.7	-84.3	-176.8	-4.3	112.8	D704 Q707 R708 R715	D704-R711 IonicContact OD1-NH2 3.49Å; D704-R711 PolarHBondContact OD1-NH2 2.61Å; Q707-R711 VanDerWaalsContact O-CB 3.24Å; Q707-R711 WeakPolarHBondContact O-CB 3.31Å; Q707-R711 WeakPolarHBondContact O-CG 3.31Å; Q707-R711 PolarHBondContact O-N 2.71Å; Q707-R711 PolarHBondContact O-NE 2.91Å; Q707-R711 VanDerWaalsContact O-NE 3.09Å; R708-R711 PolarHBondContact O-N 3.06Å; R711-R715 VanDerWaalsContact O-CB 3.25Å; R711-R715 WeakPolarHBondContact O-CB 3.45Å; R711-R715 VanDerWaalsContact O-CG 3.23Å; R711-R715 WeakPolarHBondContact O-CG 3.27Å; R711-R715 PolarHBondContact O-N 3.12Å
712	F	76.3	Confident	72.5	Confident	147 Å²	147	108.6 Å²	108.6	65%	0.645	50%	0.501	S	S	*	.	H	α-helix	trans	-66.7	-43.7	177.2	-173.6	-95.8	0	0	0	111.7	R708 R709 E710 R715 K716	R708-F712 WeakPolarHBondContact O-CB 3.28Å; R708-F712 PolarHBondContact O-N 2.73Å; R709-F712 PolarHBondContact O-N 3.31Å; E710-F712 VanDerWaalsContact C-N 3.31Å; E710-F712 PolarHBondContact O-N 3.15Å; F712-R715 PolarHBondContact O-N 3.36Å; F712-K716 WeakPolarHBondContact O-CB 2.95Å; F712-K716 PolarHBondContact O-N 3.3Å
713	T	80.2	Confident	73.5	Confident	84 Å²	84	111 Å²	111	52%	0.515	49%	0.492	S	S	.	.	H	α-helix	trans	-64.7	-42.5	176.3	55.4	0	0	0	0	112.4	R709 E710 K716 K717	R709-T713 WeakPolarHBondContact O-CG2 3.49Å; R709-T713 PolarHBondContact O-N 2.96Å; R709-T713 PolarHBondContact O-OG1 3.48Å; E710-T713 WeakPolarHBondContact CA-OG1 3.31Å; E710-T713 PolarHBondContact O-N 2.96Å; E710-T713 VanDerWaalsContact O-N 3.14Å; E710-T713 PolarHBondContact O-OG1 3.05Å; T713-K716 PolarHBondContact O-N 3.3Å; T713-K717 PolarHBondContact O-N 3.02Å
714	E	79.3	Confident	74.2	Confident	100 Å²	100	112 Å²	112	47%	0.467	49%	0.487	S	S	.	.	H	α-helix	trans	-64.5	-47.1	176.2	-171	-178.6	-168.9	0	0	111.1	E710 K716 K717 L718	E710-E714 WeakPolarHBondContact O-CB 3.24Å; E710-E714 PolarHBondContact O-N 2.92Å; E714-K716 VanDerWaalsContact C-N 3.31Å; E714-K716 PolarHBondContact O-N 3.18Å; E714-K717 WeakPolarHBondContact O-CB 3.48Å; E714-K717 PolarHBondContact O-N 3.1Å; E714-K717 VanDerWaalsContact O-N 3.15Å; E714-L718 HydrophobicContact CG-CD1 4.14Å; E714-L718 HydrophobicContact CG-CG 4.4Å; E714-L718 WeakPolarHBondContact O-CG 3.29Å; E714-L718 PolarHBondContact O-N 3.18Å
715	R	79.9	Confident	74.9	Confident	116 Å²	116	112.6 Å²	112.6	44%	0.438	49%	0.489	S	S	.	.	H	α-helix	trans	-58.7	-41.2	175.5	-78.4	174.3	70.5	85	1.1	112.1	R711 F712 L718 H719 L778	R711-R715 VanDerWaalsContact O-CB 3.25Å; R711-R715 WeakPolarHBondContact O-CB 3.45Å; R711-R715 VanDerWaalsContact O-CG 3.23Å; R711-R715 WeakPolarHBondContact O-CG 3.27Å; R711-R715 PolarHBondContact O-N 3.12Å; F712-R715 PolarHBondContact O-N 3.36Å; R715-L718 PolarHBondContact O-N 3.26Å; R715-H719 WeakPolarHBondContact O-CB 3.03Å; R715-H719 PolarHBondContact O-CD2 3.42Å; R715-H719 PolarHBondContact O-N 3.18Å; R715-L778 PolarHBondContact NH1-O 2.94Å
716	K	78.8	Confident	75	Confident	147 Å²	147	107.3 Å²	107.3	64%	0.639	47%	0.473	S	S	*	.	H	α-helix	trans	-62.2	-43.9	176.5	-168.5	178.8	180	-176.7	0	111	F712 T713 E714 H719 Q720	F712-K716 WeakPolarHBondContact O-CB 2.95Å; F712-K716 PolarHBondContact O-N 3.3Å; T713-K716 PolarHBondContact O-N 3.3Å; E714-K716 VanDerWaalsContact C-N 3.31Å; E714-K716 PolarHBondContact O-N 3.18Å; K716-H719 PolarHBondContact O-N 3.21Å; K716-Q720 PolarHBondContact O-N 3.17Å
717	K	82.7	Confident	74.8	Confident	141 Å²	141	105.5 Å²	105.5	61%	0.613	47%	0.465	S	S	*	.	H	α-helix	trans	-62.7	-43.9	175.2	-171.6	178.3	-178.8	179.2	0	112.1	T713 E714 Q720 L721	T713-K717 PolarHBondContact O-N 3.02Å; E714-K717 WeakPolarHBondContact O-CB 3.48Å; E714-K717 PolarHBondContact O-N 3.1Å; E714-K717 VanDerWaalsContact O-N 3.15Å; K717-Q720 WeakPolarHBondContact O-CB 3.41Å; K717-Q720 PolarHBondContact O-N 2.86Å; K717-L721 WeakPolarHBondContact O-CG 3.48Å; K717-L721 PolarHBondContact O-N 2.87Å
718	L	80.9	Confident	74.5	Confident	17 Å²	17	106.8 Å²	106.8	9%	0.089	47%	0.471	C	S	.	.	H	α-helix	trans	-64.9	-38.8	176.6	-69.5	172.5	0	0	0	112.3	E714 R715 Q720 L721 K722 V774 K777 L778	E714-L718 HydrophobicContact CG-CD1 4.14Å; E714-L718 HydrophobicContact CG-CG 4.4Å; E714-L718 WeakPolarHBondContact O-CG 3.29Å; E714-L718 PolarHBondContact O-N 3.18Å; R715-L718 PolarHBondContact O-N 3.26Å; L718-Q720 VanDerWaalsContact C-N 3.33Å; L718-L721 HydrophobicContact CD2-CD1 4.49Å; L718-L721 PolarHBondContact O-N 2.72Å; L718-K722 WeakPolarHBondContact O-CB 3.47Å; L718-K722 PolarHBondContact O-N 3.13Å; L718-V774 HydrophobicContact CB-CG1 4.16Å; L718-V774 HydrophobicContact CD2-CB 4.36Å; L718-V774 HydrophobicContact CD2-CG1 4.06Å; L718-V774 HydrophobicContact CD2-CG2 4.1Å; L718-V774 WeakPolarHBondContact O-CG1 3.47Å; L718-K777 HydrophobicContact CD1-CB 3.68Å; L718-L778 HydrophobicContact CB-CD1 4.28Å; L718-L778 HydrophobicContact CB-CD2 3.56Å; L718-L778 HydrophobicContact CB-CG 3.77Å; L718-L778 HydrophobicContact CD1-CD2 4.26Å; L718-L778 HydrophobicContact CD1-CG 4.32Å
719	H	78.2	Confident	74	Confident	82 Å²	82	106 Å²	106	38%	0.38	47%	0.473	S	S	.	.	H	α-helix	trans	-64.5	-37.3	173.1	-84	-61.2	0	0	0	112.4	R715 K716 K722 R723	R715-H719 WeakPolarHBondContact O-CB 3.03Å; R715-H719 PolarHBondContact O-CD2 3.42Å; R715-H719 PolarHBondContact O-N 3.18Å; K716-H719 PolarHBondContact O-N 3.21Å; H719-K722 PolarHBondContact O-N 2.99Å; H719-R723 WeakPolarHBondContact O-CG 3.24Å; H719-R723 PolarHBondContact O-N 3.13Å
720	Q	77.3	Confident	72.9	Confident	116 Å²	116	99.4 Å²	99.4	54%	0.542	47%	0.467	S	S	.	.	H	α-helix	trans	-64.6	-50.5	174.1	-172	167.4	11.2	0	0	110.9	K716 K717 L718 K722 R723 D724	K716-Q720 PolarHBondContact O-N 3.17Å; K717-Q720 WeakPolarHBondContact O-CB 3.41Å; K717-Q720 PolarHBondContact O-N 2.86Å; L718-Q720 VanDerWaalsContact C-N 3.33Å; Q720-K722 VanDerWaalsContact C-N 3.27Å; Q720-K722 PolarHBondContact O-N 3.35Å; Q720-R723 PolarHBondContact O-N 3.32Å; Q720-D724 PolarHBondContact O-N 3.46Å
721	L	80.3	Confident	71.5	Confident	54 Å²	54	98.8 Å²	98.8	28%	0.283	47%	0.472	S	S	.	.	H	α-helix	trans	-55.4	-41	175	-71.4	172.4	0	0	0	112.7	K717 L718 H725 V769	K717-L721 WeakPolarHBondContact O-CG 3.48Å; K717-L721 PolarHBondContact O-N 2.87Å; L718-L721 HydrophobicContact CD2-CD1 4.49Å; L718-L721 PolarHBondContact O-N 2.72Å; L721-H725 WeakPolarHBondContact O-CB 3.43Å; L721-H725 PolarHBondContact O-N 3.17Å; L721-V769 HydrophobicContact CD1-CG1 4.4Å; L721-V769 HydrophobicContact CD2-CG2 4.25Å
722	K	77.6	Confident	70.3	Confident	63 Å²	63	103.8 Å²	103.8	27%	0.274	50%	0.495	S	S	.	.	H	α-helix	trans	-62.8	-45.2	175.9	-176	-173.5	169.7	-165.8	0	111.8	L718 H719 Q720 H725 E726 I771 V774 L778	L718-K722 WeakPolarHBondContact O-CB 3.47Å; L718-K722 PolarHBondContact O-N 3.13Å; H719-K722 PolarHBondContact O-N 2.99Å; Q720-K722 VanDerWaalsContact C-N 3.27Å; Q720-K722 PolarHBondContact O-N 3.35Å; K722-H725 PolarHBondContact O-N 3.29Å; K722-E726 WeakPolarHBondContact CE-OE1 3.47Å; K722-E726 IonicContact NZ-OE1 2.68Å; K722-E726 WeakPolarHBondContact O-CG 3.39Å; K722-E726 PolarHBondContact O-N 2.84Å; K722-I771 HydrophobicContact CB-CD1 4.32Å; K722-I771 HydrophobicContact CG-CD1 4.14Å; K722-V774 HydrophobicContact CB-CG1 4.24Å; K722-L778 HydrophobicContact CB-CD1 4.42Å; K722-L778 HydrophobicContact CD-CD1 4.14Å
723	R	72.1	Confident	69.4	Low	172 Å²	172	104.8 Å²	104.8	65%	0.649	50%	0.495	S	S	*	.	H	α-helix	trans	-64.9	-44.4	178.4	-76.2	179.9	-179.6	-174.3	0.7	111.5	H719 Q720 H725 E726 Q727	H719-R723 WeakPolarHBondContact O-CG 3.24Å; H719-R723 PolarHBondContact O-N 3.13Å; Q720-R723 PolarHBondContact O-N 3.32Å; R723-H725 VanDerWaalsContact C-N 3.3Å; R723-H725 PolarHBondContact O-N 3.5Å; R723-E726 PolarHBondContact O-N 2.88Å; R723-Q727 WeakPolarHBondContact O-CG 3.36Å; R723-Q727 PolarHBondContact O-N 3.17Å
724	D	71.6	Confident	68.9	Low	62 Å²	62	108.1 Å²	108.1	33%	0.332	50%	0.502	S	S	.	.	H	α-helix	trans	-61.7	-40.8	179.5	-62.3	-15.5	0	0	0	110.7	Q720 Q727 Q728	Q720-D724 PolarHBondContact O-N 3.46Å; D724-Q727 PolarHBondContact O-N 3.18Å; D724-Q728 VanDerWaalsContact O-CG 3.28Å; D724-Q728 WeakPolarHBondContact O-CG 3.42Å; D724-Q728 PolarHBondContact O-N 3.46Å; D724-Q728 VanDerWaalsContact O-N 3.13Å
725	H	72.3	Confident	68.8	Low	48 Å²	48	107.9 Å²	107.9	22%	0.222	51%	0.507	C	S	.	.	H	α-helix	trans	-64.2	-47.4	174.4	-174.2	86.6	0	0	0	112.6	L721 K722 R723 Q727 Q728 E729 I771	L721-H725 WeakPolarHBondContact O-CB 3.43Å; L721-H725 PolarHBondContact O-N 3.17Å; K722-H725 PolarHBondContact O-N 3.29Å; R723-H725 VanDerWaalsContact C-N 3.3Å; R723-H725 PolarHBondContact O-N 3.5Å; H725-Q727 VanDerWaalsContact C-N 3.25Å; H725-Q727 PolarHBondContact O-N 3.31Å; H725-Q728 PolarHBondContact O-N 3.01Å; H725-Q728 VanDerWaalsContact O-N 3.11Å; H725-E729 IonicContact CD2-OE1 3.59Å; H725-E729 IonicContact CE1-OE1 3.65Å; H725-E729 WeakPolarHBondContact NE2-CG 3.44Å; H725-E729 IonicContact NE2-OE1 3.65Å; H725-E729 PolarHBondContact NE2-OE1 3.29Å; H725-E729 PolarHBondContact O-N 2.86Å; H725-I771 HydrophobicContact CB-CD1 3.92Å
726	E	65.5	Low	68.8	Low	100 Å²	100	102.5 Å²	102.5	47%	0.467	49%	0.488	S	S	.	.	H	α-helix	trans	-62.1	-32.1	178.8	-75.6	174.1	169.1	0	0	112.5	K722 R723	K722-E726 WeakPolarHBondContact CE-OE1 3.47Å; K722-E726 IonicContact NZ-OE1 2.68Å; K722-E726 WeakPolarHBondContact O-CG 3.39Å; K722-E726 PolarHBondContact O-N 2.84Å; R723-E726 PolarHBondContact O-N 2.88Å
727	Q	63.3	Low	68.9	Low	112 Å²	112	103.5 Å²	103.5	52%	0.523	49%	0.487	S	S	.	.	H	α-helix	trans	-73	-35.2	174.1	-71.5	177.5	2.9	0	0	112.6	R723 D724 H725	R723-Q727 WeakPolarHBondContact O-CG 3.36Å; R723-Q727 PolarHBondContact O-N 3.17Å; D724-Q727 PolarHBondContact O-N 3.18Å; H725-Q727 VanDerWaalsContact C-N 3.25Å; H725-Q727 PolarHBondContact O-N 3.31Å
728	Q	61.5	Low	68.3	Low	137 Å²	137	100.5 Å²	100.5	64%	0.64	48%	0.477	S	S	*	.	H	α-helix	trans	-75.8	-36.9	-179.9	-72.9	175.9	20.6	0	0	113.2	D724 H725 G730 T731	D724-Q728 VanDerWaalsContact O-CG 3.28Å; D724-Q728 WeakPolarHBondContact O-CG 3.42Å; D724-Q728 PolarHBondContact O-N 3.46Å; D724-Q728 VanDerWaalsContact O-N 3.13Å; H725-Q728 PolarHBondContact O-N 3.01Å; H725-Q728 VanDerWaalsContact O-N 3.11Å; Q728-G730 PolarHBondContact O-N 3.33Å; Q728-T731 PolarHBondContact O-N 3.49Å; Q728-T731 PolarHBondContact O-OG1 3.5Å
729	E	56.6	Low	67.4	Low	128 Å²	128	105.9 Å²	105.9	60%	0.598	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-23.2	179.4	-83.1	-168.3	162.8	0	0	113.5	H725 T731	H725-E729 IonicContact CD2-OE1 3.59Å; H725-E729 IonicContact CE1-OE1 3.65Å; H725-E729 WeakPolarHBondContact NE2-CG 3.44Å; H725-E729 IonicContact NE2-OE1 3.65Å; H725-E729 PolarHBondContact NE2-OE1 3.29Å; H725-E729 PolarHBondContact O-N 2.86Å; E729-T731 PolarHBondContact O-N 3.25Å; E729-T731 VanDerWaalsContact O-N 3.15Å
730	G	48.3	Very low	66.6	Low	60 Å²	60	104.9 Å²	104.9	62%	0.619	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-3.2	-176.2	0	0	0	0	0	116.7	Q728	Q728-G730 PolarHBondContact O-N 3.33Å
731	T	45	Very low	65.4	Low	110 Å²	110	99.4 Å²	99.4	68%	0.675	47%	0.472	S	S	*	.	S	Bend	trans	-113.6	-19.3	-161.1	50.3	0	0	0	0	119.2	Q728 E729	Q728-T731 PolarHBondContact O-N 3.49Å; Q728-T731 PolarHBondContact O-OG1 3.5Å; E729-T731 PolarHBondContact O-N 3.25Å; E729-T731 VanDerWaalsContact O-N 3.15Å
732	K	49.6	Very low	63.9	Low	183 Å²	183	102 Å²	102	80%	0.796	48%	0.483	S	S	*	.			trans	-150.2	127.2	-177.4	-62.8	-178.4	-174.6	168.4	0	114.3
733	R	55.6	Low	62.4	Low	169 Å²	169	102.7 Å²	102.7	64%	0.638	49%	0.49	S	S	*	.			trans	-64.8	130.5	162.3	-69.9	-176.7	176.2	-166.6	-7.5	108.2	V424 D446	V424-R733 HydrophobicContact CG2-CB 4.16Å; D446-R733 IonicContact OD2-CZ 3.64Å; D446-R733 IonicContact OD2-NH1 3.06Å; D446-R733 IonicContact OD2-NH2 3.73Å; D446-R733 PolarHBondContact OD2-NH2 2.97Å
734	K	71.1	Confident	61.1	Low	153 Å²	153	95.7 Å²	95.7	67%	0.665	47%	0.471	S	S	*	.			trans	-75	149	177.9	-61.5	177.2	179.6	179.6	0	109.2	D423 V424	D423-K734 WeakPolarHBondContact CB-O 3.47Å; D423-K734 WeakPolarHBondContact OD1-CB 3.43Å; V424-K734 PolarHBondContact N-O 3.2Å; V424-K734 VanDerWaalsContact N-O 3.08Å
735	V	76.1	Confident	59.7	Low	95 Å²	95	95.5 Å²	95.5	58%	0.576	47%	0.468	S	S	*	.	B	Isolated β-bridge	trans	-104.8	124.7	177	179.4	0	0	0	0	107.4	V424 P426	V424-V735 WeakPolarHBondContact O-CA 3.38Å; P426-V735 HydrophobicContact CG-CG1 4.18Å
736	L	79.7	Confident	58.2	Low	4 Å²	4	100.1 Å²	100.1	2%	0.021	49%	0.488	C	S	.	.			trans	-67.8	150	-178.5	-66.4	170.4	0	0	0	111.5	I405 L407 K420 D423 V424 P426 K431 E740	I405-L736 HydrophobicContact CD1-CB 3.83Å; I405-L736 HydrophobicContact CD1-CD1 4.44Å; I405-L736 HydrophobicContact CG2-CD1 4.45Å; L407-L736 HydrophobicContact CD1-CD1 4.02Å; K420-L736 HydrophobicContact CB-CD2 4.36Å; D423-L736 HydrophobicContact CB-CD1 4.23Å; D423-L736 HydrophobicContact CB-CD2 3.72Å; D423-L736 HydrophobicContact CB-CG 3.66Å; V424-L736 PolarHBondContact O-N 3.49Å; P426-L736 WeakPolarHBondContact CD-O 3.41Å; P426-L736 WeakPolarHBondContact CG-O 3.32Å; K431-L736 HydrophobicContact CD-CD1 3.83Å; K431-L736 HydrophobicContact CG-CD1 4.28Å; L736-E740 VanDerWaalsContact CA-OE2 3.31Å; L736-E740 WeakPolarHBondContact CA-OE2 3.46Å; L736-E740 WeakPolarHBondContact CD2-OE2 3.44Å
737	R	80.6	Confident	56.8	Low	168 Å²	168	98.1 Å²	98.1	63%	0.634	49%	0.485	S	S	*	.			trans	-97.3	152.5	169.7	-61.3	-177.6	-179.9	170	4.1	110.6	E739 E740	R737-E739 PolarHBondContact O-N 3.17Å; R737-E740 HydrophobicContact CB-CG 4.08Å; R737-E740 PolarHBondContact N-OE2 3.08Å; R737-E740 WeakPolarHBondContact O-CB 3.46Å; R737-E740 PolarHBondContact O-N 3.03Å
738	L	71.1	Confident	55.5	Low	77 Å²	77	95.9 Å²	95.9	40%	0.403	48%	0.482	S	S	.	.	G	3₁₀ helix	trans	-61.7	-32.1	176.5	-78	167.4	0	0	0	112.7	I405 V429 E740	I405-L738 HydrophobicContact CG1-CD2 4.24Å; V429-L738 HydrophobicContact CG1-CD2 3.81Å; V429-L738 HydrophobicContact CG2-CD2 3.95Å; L738-E740 VanDerWaalsContact C-N 3.31Å; L738-E740 PolarHBondContact O-N 2.85Å
739	E	62	Low	54.2	Low	131 Å²	131	92 Å²	92	61%	0.612	48%	0.479	S	S	*	.	G	3₁₀ helix	trans	-69.5	-26.1	178	-65.2	168.5	-173	0	0	112.4	R737 G741 Q742	R737-E739 PolarHBondContact O-N 3.17Å; E739-G741 PolarHBondContact O-N 2.88Å; E739-G741 VanDerWaalsContact O-N 3.15Å; E739-Q742 WeakPolarHBondContact O-CB 3.44Å; E739-Q742 PolarHBondContact O-N 3.18Å
740	E	61	Low	53.1	Low	61 Å²	61	88.2 Å²	88.2	29%	0.285	47%	0.466	S	S	.	.	G	3₁₀ helix	trans	-70	-12.4	-178.2	-71.2	171.2	163.6	0	0	113.6	L736 R737 L738	L736-E740 VanDerWaalsContact CA-OE2 3.31Å; L736-E740 WeakPolarHBondContact CA-OE2 3.46Å; L736-E740 WeakPolarHBondContact CD2-OE2 3.44Å; R737-E740 HydrophobicContact CB-CG 4.08Å; R737-E740 PolarHBondContact N-OE2 3.08Å; R737-E740 WeakPolarHBondContact O-CB 3.46Å; R737-E740 PolarHBondContact O-N 3.03Å; L738-E740 VanDerWaalsContact C-N 3.31Å; L738-E740 PolarHBondContact O-N 2.85Å
741	G	52.4	Low	52.4	Low	1 Å²	1	91.4 Å²	91.4	1%	0.01	47%	0.469	C	S	.	.	G	3₁₀ helix	trans	-87	-20	168.7	0	0	0	0	0	113.7	Q395 E739	Q395-G741 VanDerWaalsContact NE2-C 3.35Å; Q395-G741 PolarHBondContact NE2-O 2.74Å; Q395-G741 VanDerWaalsContact NE2-O 3.12Å; Q395-G741 PolarHBondContact OE1-O 3.5Å; E739-G741 PolarHBondContact O-N 2.88Å; E739-G741 VanDerWaalsContact O-N 3.15Å
742	Q	48.7	Very low	51.7	Low	107 Å²	107	92 Å²	92	50%	0.5	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-20.5	-178.8	-69.4	177.8	-16.2	0	0	113	E739 G744	E739-Q742 WeakPolarHBondContact O-CB 3.44Å; E739-Q742 PolarHBondContact O-N 3.18Å; Q742-G744 PolarHBondContact O-N 3.12Å
743	D	46.2	Very low	50.9	Low	78 Å²	78	92.1 Å²	92.1	42%	0.417	48%	0.481	S	S	.	.			trans	-72.7	89.3	169.9	-65.6	-38.1	0	0	0	109.2
744	G	45.3	Very low	50	Low	26 Å²	26	90.9 Å²	90.9	27%	0.268	49%	0.487	S	S	.	.			trans	-55.8	177.8	167.4	0	0	0	0	0	112	Q742 F746 S747	Q742-G744 PolarHBondContact O-N 3.12Å; G744-F746 PolarHBondContact O-N 3.38Å; G744-S747 PolarHBondContact O-N 3.42Å
745	E	42.5	Very low	47.9	Very low	57 Å²	57	95.3 Å²	95.3	27%	0.266	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-6.3	175.6	-76.6	-175.8	119.8	0	0	115	S388 H410	S388-E745 WeakPolarHBondContact CB-OE2 3.47Å; S388-E745 PolarHBondContact OG-OE2 2.85Å; H410-E745 IonicContact CE1-OE1 2.91Å; H410-E745 IonicContact NE2-OE1 2.77Å; H410-E745 PolarHBondContact NE2-OE1 2.78Å
746	F	39.3	Very low	45.7	Very low	146 Å²	146	94.5 Å²	94.5	64%	0.64	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-6.9	-174.8	-59.2	-66.9	0	0	0	115.9	G744	G744-F746 PolarHBondContact O-N 3.38Å
747	S	36.9	Very low	43.4	Very low	58 Å²	58	104 Å²	104	41%	0.406	55%	0.551	S	S	.	*			trans	-121.9	107.4	177.1	-168.4	0	0	0	0	111.5	G744 G749	G744-S747 PolarHBondContact O-N 3.42Å; S747-G749 PolarHBondContact O-N 3.04Å
748	S	37	Very low	41	Very low	65 Å²	65	107.5 Å²	107.5	46%	0.455	57%	0.565	S	S	.	*			trans	-66	97	172	61.7	0	0	0	0	109.5	S750	S748-S750 PolarHBondContact O-N 3.37Å; S748-S750 VanDerWaalsContact O-N 3.15Å
749	G	33.5	Very low	39	Very low	55 Å²	55	115.7 Å²	115.7	57%	0.567	59%	0.59	S	S	*	*			trans	-62.5	112.8	178.7	0	0	0	0	0	112.7	S747	S747-G749 PolarHBondContact O-N 3.04Å
750	S	32.5	Very low	37.4	Very low	48 Å²	48	119 Å²	119	34%	0.336	60%	0.603	S	S	.	*	S	Bend		-161.3	127.2	110.1	86.8	0	0	0	0	110.5	R664 S748	R664-S750 PolarHBondContact NH1-O 3.32Å; R664-S750 PolarHBondContact NH2-OG 2.87Å; S748-S750 PolarHBondContact O-N 3.37Å; S748-S750 VanDerWaalsContact O-N 3.15Å
751	D	33.7	Very low	35.8	Very low	128 Å²	128	121.6 Å²	121.6	68%	0.684	63%	0.627	S	S	*	*			trans	73.6	97.6	165	-51.3	-38.1	0	0	0	120.5	E753	D751-E753 VanDerWaalsContact C-N 3.26Å; D751-E753 PolarHBondContact O-N 3.2Å; D751-E753 VanDerWaalsContact O-N 3.12Å
752	S	30.7	Very low	34.7	Very low	123 Å²	123	131.6 Å²	131.6	86%	0.86	67%	0.671	S	S	*	*			trans	-64	81.5	142.9	41.8	0	0	0	0	110.7
753	E	33.3	Very low	33.7	Very low	184 Å²	184	135.8 Å²	135.8	86%	0.86	69%	0.69	S	S	*	*			trans	-83.1	102	147.9	-73	-159.8	154.4	0	0	107.8	D751	D751-E753 VanDerWaalsContact C-N 3.26Å; D751-E753 PolarHBondContact O-N 3.2Å; D751-E753 VanDerWaalsContact O-N 3.12Å
754	D	35.4	Very low	32.9	Very low	144 Å²	144	135.8 Å²	135.8	77%	0.77	71%	0.709	S	S	*	*				167.6	151.1	118.1	-152.6	0.3	0	0	0	110.5
755	R	28.8	Very low	32.1	Very low	246 Å²	246	144.3 Å²	144.3	93%	0.928	74%	0.741	S	S	*	*	S	Bend	trans	92.4	70.4	-179.1	-55.4	-179	175.3	-145.4	-1.6	116.6
756	G	29.1	Very low	31.7	Very low	77 Å²	77	145.1 Å²	145.1	79%	0.794	77%	0.765	S	S	*	*			trans	175.8	37.3	161.3	0	0	0	0	0	116.8	R758	G756-R758 PolarHBondContact O-N 3.28Å
757	K	31.4	Very low	31.9	Very low	203 Å²	203	147.6 Å²	147.6	88%	0.883	78%	0.775	S	S	*	*			trans	-71.6	100.2	177.3	-85.1	177.5	178.6	161.7	0	111.7
758	R	29.4	Very low	32.5	Very low	243 Å²	243	153.1 Å²	153.1	92%	0.917	80%	0.795	S	S	*	*			trans	-79.2	117.9	144.6	-92.5	-174.5	173.3	-176.3	-1.2	108.2	G756 K760	G756-R758 PolarHBondContact O-N 3.28Å; R758-K760 PolarHBondContact O-N 2.58Å; R758-K760 VanDerWaalsContact O-N 3.12Å
759	R	30.3	Very low	33.7	Very low	249 Å²	249	153.2 Å²	153.2	94%	0.94	79%	0.793	S	S	*	*			trans	-44.7	109.4	178.3	-73.8	172.8	164.2	170.1	-5.9	112.1
760	K	28.4	Very low	35.5	Very low	201 Å²	201	151.7 Å²	151.7	87%	0.874	77%	0.772	S	S	*	*			trans	-130.3	137.2	150.9	-111.4	-178.7	177.4	179.5	0	108.2	R758	R758-K760 PolarHBondContact O-N 2.58Å; R758-K760 VanDerWaalsContact O-N 3.12Å
761	S	27.4	Very low	37.4	Very low	114 Å²	114	150.7 Å²	150.7	80%	0.797	76%	0.762	S	S	*	*			trans	-32.7	131.4	-170.6	43	0	0	0	0	117.2	E763	S761-E763 PolarHBondContact O-N 3.13Å
762	K	28.1	Very low	39.2	Very low	212 Å²	212	147.9 Å²	147.9	92%	0.922	75%	0.745	S	S	*	*	S	Bend	trans	-64.3	99.5	163.2	-81	176.1	169.2	179.4	0	109.4
763	E	29.3	Very low	41.4	Very low	195 Å²	195	144.7 Å²	144.7	91%	0.911	72%	0.716	S	S	*	*			trans	-173.3	112.3	151.3	-108.1	168.8	-159.9	0	0	107.6	S761	S761-E763 PolarHBondContact O-N 3.13Å
764	G	28.4	Very low	43.5	Very low	78 Å²	78	136.3 Å²	136.3	80%	0.804	68%	0.678	S	S	*	*			trans	117.4	53.1	-179.5	0	0	0	0	0	115.3	G766	G764-G766 VanDerWaalsContact C-N 3.27Å; G764-G766 PolarHBondContact O-N 3.36Å; G764-G766 VanDerWaalsContact O-N 3.1Å
765	Q	29.2	Very low	45.5	Very low	205 Å²	205	133.1 Å²	133.1	96%	0.958	66%	0.657	S	S	*	*			trans	-76.5	83.6	158.1	-83.2	-176.3	-12.8	0	0	108.8	K767	Q765-K767 PolarHBondContact O-N 2.99Å
766	G	33.9	Very low	47.9	Very low	74 Å²	74	121.8 Å²	121.8	76%	0.763	62%	0.615	S	S	*	*			trans	-71.4	110.1	159.3	0	0	0	0	0	107.9	G764 E768	G764-G766 VanDerWaalsContact C-N 3.27Å; G764-G766 PolarHBondContact O-N 3.36Å; G764-G766 VanDerWaalsContact O-N 3.1Å; G766-E768 PolarHBondContact O-N 3.29Å
767	K	42.5	Very low	50.3	Low	197 Å²	197	121.8 Å²	121.8	86%	0.857	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-56.4	119.9	164	-79.8	179.9	175.4	178.3	0	107.2	Q765 V769	Q765-K767 PolarHBondContact O-N 2.99Å; K767-V769 PolarHBondContact O-N 3.32Å
768	E	50.2	Low	52.5	Low	174 Å²	174	112.9 Å²	112.9	81%	0.813	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-56.5	120.5	172.3	-163.4	172	-173.3	0	0	108.2	G766 D770	G766-E768 PolarHBondContact O-N 3.29Å; E768-D770 PolarHBondContact O-N 2.67Å
769	V	62.3	Low	54.8	Low	68 Å²	68	105.6 Å²	105.6	41%	0.412	53%	0.527	S	S	.	.	P	Polyproline II helix	trans	-78.9	119.2	-171.5	176.8	0	0	0	0	108.8	L721 K767 I771 V774	L721-V769 HydrophobicContact CD1-CG1 4.4Å; L721-V769 HydrophobicContact CD2-CG2 4.25Å; K767-V769 PolarHBondContact O-N 3.32Å; V769-I771 PolarHBondContact O-N 3.26Å; V769-V774 HydrophobicContact CG1-CG2 3.69Å
770	D	70.6	Confident	57.1	Low	23 Å²	23	94.7 Å²	94.7	12%	0.123	49%	0.487	C	S	.	.			trans	-70.6	101	173.6	-178.4	3.1	0	0	0	110.9	R660 E768 Q772 E773 V774	R660-D770 IonicContact CZ-OD1 2.7Å; R660-D770 IonicContact CZ-OD2 3.01Å; R660-D770 IonicContact NE-OD2 3.99Å; R660-D770 PolarHBondContact NE-OD2 3.02Å; R660-D770 IonicContact NH2-OD1 3.51Å; R660-D770 PolarHBondContact NH2-OD1 3.29Å; R660-D770 IonicContact NH2-OD2 3.59Å; R660-D770 PolarHBondContact NH2-OD2 3.33Å; E768-D770 PolarHBondContact O-N 2.67Å; D770-Q772 PolarHBondContact O-N 3.16Å; D770-Q772 WeakPolarHBondContact OD1-CB 3.44Å; D770-Q772 PolarHBondContact OD1-N 3.06Å; D770-E773 HydrophobicContact CB-CB 3.85Å; D770-E773 WeakPolarHBondContact O-CB 3.47Å; D770-E773 PolarHBondContact O-N 3.42Å; D770-E773 PolarHBondContact OD1-N 3.31Å; D770-V774 WeakPolarHBondContact O-CG2 3.32Å; D770-V774 PolarHBondContact O-N 2.77Å
771	I	73.6	Confident	59.6	Low	27 Å²	27	87.6 Å²	87.6	14%	0.138	46%	0.459	C	S	.	.	H	α-helix	trans	-61.2	-28.6	179.1	-168.2	59.2	0	0	0	113.2	K722 H725 V769 V774 K775	K722-I771 HydrophobicContact CB-CD1 4.32Å; K722-I771 HydrophobicContact CG-CD1 4.14Å; H725-I771 HydrophobicContact CB-CD1 3.92Å; V769-I771 PolarHBondContact O-N 3.26Å; I771-V774 HydrophobicContact CD1-CB 4.46Å; I771-K775 HydrophobicContact CG1-CD 4.43Å; I771-K775 WeakPolarHBondContact O-CB 3.48Å; I771-K775 VanDerWaalsContact O-CG 3.26Å; I771-K775 WeakPolarHBondContact O-CG 3.34Å; I771-K775 PolarHBondContact O-N 3.2Å
772	Q	71.4	Confident	62.1	Low	68 Å²	68	83.4 Å²	83.4	32%	0.318	43%	0.428	S	S	.	.	H	α-helix	trans	-72.1	-40.6	177.5	-64.6	-170.8	-15.9	0	0	110.7	Q671 Y674 D770 V774 K775 F776	Q671-Q772 VanDerWaalsContact OE1-CD 3.25Å; Y674-Q772 HydrophobicContact CE2-CB 4.11Å; D770-Q772 PolarHBondContact O-N 3.16Å; D770-Q772 WeakPolarHBondContact OD1-CB 3.44Å; D770-Q772 PolarHBondContact OD1-N 3.06Å; Q772-V774 VanDerWaalsContact C-N 3.35Å; Q772-K775 PolarHBondContact O-N 3.33Å; Q772-F776 VanDerWaalsContact O-CB 3.28Å; Q772-F776 WeakPolarHBondContact O-CB 3.27Å; Q772-F776 PolarHBondContact O-N 3.5Å
773	E	76.9	Confident	64.5	Low	56 Å²	56	76.2 Å²	76.2	26%	0.262	40%	0.404	S	S	.	.	H	α-helix	trans	-62.7	-42	172.8	-166.4	-173.3	155	0	0	111.4	D770 F776 K777	D770-E773 HydrophobicContact CB-CB 3.85Å; D770-E773 WeakPolarHBondContact O-CB 3.47Å; D770-E773 PolarHBondContact O-N 3.42Å; D770-E773 PolarHBondContact OD1-N 3.31Å; E773-F776 WeakPolarHBondContact O-CB 3.37Å; E773-F776 PolarHBondContact O-N 3.35Å; E773-K777 HydrophobicContact CG-CD 4.41Å; E773-K777 PolarHBondContact O-N 2.68Å; E773-K777 WeakPolarHBondContact OE1-CE 3.32Å; E773-K777 IonicContact OE1-NZ 3.89Å; E773-K777 PolarHBondContact OE1-NZ 2.79Å
774	V	77.1	Confident	66.8	Low	8 Å²	8	72.5 Å²	72.5	5%	0.048	39%	0.387	C	S	.	.	H	α-helix	trans	-60.4	-48.2	173.9	172.5	0	0	0	0	110.9	L718 K722 V769 D770 I771 Q772 F776 K777 L778	L718-V774 HydrophobicContact CB-CG1 4.16Å; L718-V774 HydrophobicContact CD2-CB 4.36Å; L718-V774 HydrophobicContact CD2-CG1 4.06Å; L718-V774 HydrophobicContact CD2-CG2 4.1Å; L718-V774 WeakPolarHBondContact O-CG1 3.47Å; K722-V774 HydrophobicContact CB-CG1 4.24Å; V769-V774 HydrophobicContact CG1-CG2 3.69Å; D770-V774 WeakPolarHBondContact O-CG2 3.32Å; D770-V774 PolarHBondContact O-N 2.77Å; I771-V774 HydrophobicContact CD1-CB 4.46Å; Q772-V774 VanDerWaalsContact C-N 3.35Å; V774-F776 VanDerWaalsContact C-N 3.28Å; V774-F776 PolarHBondContact O-N 2.62Å; V774-K777 PolarHBondContact O-N 2.81Å; V774-L778 HydrophobicContact CG1-CD1 4.01Å; V774-L778 WeakPolarHBondContact O-CB 3.22Å; V774-L778 VanDerWaalsContact O-CG 3.26Å; V774-L778 WeakPolarHBondContact O-CG 3.17Å; V774-L778 PolarHBondContact O-N 3.24Å
775	K	76.6	Confident	69.4	Low	77 Å²	77	69.6 Å²	69.6	34%	0.335	35%	0.353	S	S	.	.	H	α-helix	trans	-61.6	-37	176.4	-76.4	172.2	-179.5	174.8	0	111.9	I771 Q772 R779	I771-K775 HydrophobicContact CG1-CD 4.43Å; I771-K775 WeakPolarHBondContact O-CB 3.48Å; I771-K775 VanDerWaalsContact O-CG 3.26Å; I771-K775 WeakPolarHBondContact O-CG 3.34Å; I771-K775 PolarHBondContact O-N 3.2Å; Q772-K775 PolarHBondContact O-N 3.33Å; K775-R779 WeakPolarHBondContact O-CB 3.29Å; K775-R779 VanDerWaalsContact O-CG 3.26Å; K775-R779 WeakPolarHBondContact O-CG 3.26Å; K775-R779 PolarHBondContact O-N 3.33Å
776	F	80.4	Confident	71.9	Confident	9 Å²	9	63.2 Å²	63.2	4%	0.039	32%	0.323	C	S	.	.	H	α-helix	trans	-64.7	-54.8	177.3	176.6	-100.6	0	0	0	111.2	W648 Y674 V677 Q772 E773 V774 L778 R779 H780 V782 L785	W648-F776 HydrophobicContact CH2-CE2 4.1Å; W648-F776 HydrophobicContact CH2-CZ 4.32Å; Y674-F776 HydrophobicContact CD1-CB 4.25Å; Y674-F776 AromaticContact CD1-CD2 3.49Å; Y674-F776 HydrophobicContact CD1-CD2 3.49Å; Y674-F776 VanDerWaalsContact CD1-CD2 3.49Å; Y674-F776 HydrophobicContact CD1-CE2 4.07Å; Y674-F776 HydrophobicContact CD1-CG 4.03Å; Y674-F776 HydrophobicContact CE1-CB 3.86Å; Y674-F776 HydrophobicContact CE1-CD1 4.37Å; Y674-F776 AromaticContact CE1-CD2 3.63Å; Y674-F776 HydrophobicContact CE1-CD2 3.63Å; Y674-F776 HydrophobicContact CE1-CE2 4.26Å; Y674-F776 AromaticContact CE1-CG 3.7Å; Y674-F776 HydrophobicContact CE1-CG 3.7Å; V677-F776 HydrophobicContact CB-CE2 4.33Å; V677-F776 HydrophobicContact CG1-CE2 4.06Å; V677-F776 HydrophobicContact CG2-CE2 4.06Å; Q772-F776 VanDerWaalsContact O-CB 3.28Å; Q772-F776 WeakPolarHBondContact O-CB 3.27Å; Q772-F776 PolarHBondContact O-N 3.5Å; E773-F776 WeakPolarHBondContact O-CB 3.37Å; E773-F776 PolarHBondContact O-N 3.35Å; V774-F776 VanDerWaalsContact C-N 3.28Å; V774-F776 PolarHBondContact O-N 2.62Å; F776-L778 VanDerWaalsContact C-N 3.26Å; F776-L778 PolarHBondContact O-N 3Å; F776-R779 PolarHBondContact O-N 2.8Å; F776-H780 AromaticContact CD2-CD2 3.47Å; F776-H780 VanDerWaalsContact CD2-CD2 3.47Å; F776-H780 WeakPolarHBondContact CD2-CD2 3.31Å; F776-H780 HydrophobicContact CE2-CB 4.28Å; F776-H780 AromaticContact CE2-CD2 3.67Å; F776-H780 HydrophobicContact CZ-CB 4.43Å; F776-H780 PolarHBondContact O-CD2 2.9Å; F776-H780 PolarHBondContact O-N 3.21Å; F776-V782 HydrophobicContact CD1-CG2 4.48Å; F776-V782 HydrophobicContact CE1-CG2 3.78Å; F776-L785 HydrophobicContact CZ-CD2 4.1Å
777	K	79.6	Confident	74.2	Confident	76 Å²	76	64.9 Å²	64.9	33%	0.33	31%	0.311	S	S	.	.	H	α-helix	trans	-62.1	-29.7	177.9	-72.8	176.9	169.9	166.5	0	113.3	L718 E773 V774	L718-K777 HydrophobicContact CD1-CB 3.68Å; E773-K777 HydrophobicContact CG-CD 4.41Å; E773-K777 PolarHBondContact O-N 2.68Å; E773-K777 WeakPolarHBondContact OE1-CE 3.32Å; E773-K777 IonicContact OE1-NZ 3.89Å; E773-K777 PolarHBondContact OE1-NZ 2.79Å; V774-K777 PolarHBondContact O-N 2.81Å
778	L	77	Confident	75.9	Confident	17 Å²	17	56.4 Å²	56.4	9%	0.089	28%	0.278	C	S	.	.	H	α-helix	trans	-70.3	-31.4	173	-78	173.1	0	0	0	113.3	R715 L718 K722 V774 F776	R715-L778 PolarHBondContact NH1-O 2.94Å; L718-L778 HydrophobicContact CB-CD1 4.28Å; L718-L778 HydrophobicContact CB-CD2 3.56Å; L718-L778 HydrophobicContact CB-CG 3.77Å; L718-L778 HydrophobicContact CD1-CD2 4.26Å; L718-L778 HydrophobicContact CD1-CG 4.32Å; K722-L778 HydrophobicContact CB-CD1 4.42Å; K722-L778 HydrophobicContact CD-CD1 4.14Å; V774-L778 HydrophobicContact CG1-CD1 4.01Å; V774-L778 WeakPolarHBondContact O-CB 3.22Å; V774-L778 VanDerWaalsContact O-CG 3.26Å; V774-L778 WeakPolarHBondContact O-CG 3.17Å; V774-L778 PolarHBondContact O-N 3.24Å; F776-L778 VanDerWaalsContact C-N 3.26Å; F776-L778 PolarHBondContact O-N 3Å
779	R	76.8	Confident	77.3	Confident	89 Å²	89	48.2 Å²	48.2	34%	0.336	24%	0.239	S	C	.	.	H	α-helix	trans	-95.5	-27.2	-174.1	-75.5	179.4	-179.1	-171.6	4.6	113.2	E239 R681 K775 F776	E239-R779 IonicContact OE2-NH2 3.42Å; R681-R779 PolarHBondContact NH1-O 3.44Å; K775-R779 WeakPolarHBondContact O-CB 3.29Å; K775-R779 VanDerWaalsContact O-CG 3.26Å; K775-R779 WeakPolarHBondContact O-CG 3.26Å; K775-R779 PolarHBondContact O-N 3.33Å; F776-R779 PolarHBondContact O-N 2.8Å
780	H	79.7	Confident	77.9	Confident	21 Å²	21	47 Å²	47	10%	0.097	24%	0.24	C	C	.	.			trans	-132.7	140.1	-168.8	-56.5	-65.7	0	0	0	110.8	N678 R681 F776	N678-H780 PolarHBondContact OD1-CE1 3.02Å; N678-H780 PolarHBondContact OD1-NE2 2.7Å; R681-H780 PolarHBondContact NH1-CE1 2.87Å; R681-H780 VanDerWaalsContact NH1-CE1 3.32Å; R681-H780 PolarHBondContact NH1-ND1 3.49Å; F776-H780 AromaticContact CD2-CD2 3.47Å; F776-H780 VanDerWaalsContact CD2-CD2 3.47Å; F776-H780 WeakPolarHBondContact CD2-CD2 3.31Å; F776-H780 HydrophobicContact CE2-CB 4.28Å; F776-H780 AromaticContact CE2-CD2 3.67Å; F776-H780 HydrophobicContact CZ-CB 4.43Å; F776-H780 PolarHBondContact O-CD2 2.9Å; F776-H780 PolarHBondContact O-N 3.21Å
781	N	79.9	Confident	77.7	Confident	52 Å²	52	49.7 Å²	49.7	28%	0.278	27%	0.266	S	S	.	.			trans	-86.9	114.6	167.5	-174.9	-13.8	0	0	0	108.1	S783 E784 L785	N781-S783 VanDerWaalsContact C-N 3.3Å; N781-S783 PolarHBondContact O-N 2.85Å; N781-S783 WeakPolarHBondContact OD1-CB 3.33Å; N781-S783 PolarHBondContact OD1-N 3.49Å; N781-S783 VanDerWaalsContact OD1-N 3.08Å; N781-E784 HydrophobicContact CB-CB 4.08Å; N781-E784 HydrophobicContact CB-CG 4.02Å; N781-E784 VanDerWaalsContact ND2-CD 3.31Å; N781-E784 PolarHBondContact ND2-OE1 2.76Å; N781-E784 PolarHBondContact O-N 3.06Å; N781-L785 PolarHBondContact O-N 3.43Å; N781-L785 VanDerWaalsContact O-N 3.13Å
782	V	79.6	Confident	77.5	Confident	26 Å²	26	48.5 Å²	48.5	16%	0.158	26%	0.26	C	S	.	.	H	α-helix	trans	-66.1	-34.9	-177.1	-173.4	0	0	0	0	111.2	F776 L785 Q786	F776-V782 HydrophobicContact CD1-CG2 4.48Å; F776-V782 HydrophobicContact CE1-CG2 3.78Å; V782-L785 WeakPolarHBondContact O-CB 3.33Å; V782-L785 PolarHBondContact O-N 2.72Å; V782-Q786 HydrophobicContact CG1-CG 4.45Å; V782-Q786 WeakPolarHBondContact O-CG 3.3Å; V782-Q786 PolarHBondContact O-N 2.91Å
783	S	78.4	Confident	77.2	Confident	60 Å²	60	48.9 Å²	48.9	42%	0.42	26%	0.262	S	S	.	.	H	α-helix	trans	-64.6	-47.3	178.6	-165.4	0	0	0	0	111.6	N781 L785 Q786 E787	N781-S783 VanDerWaalsContact C-N 3.3Å; N781-S783 PolarHBondContact O-N 2.85Å; N781-S783 WeakPolarHBondContact OD1-CB 3.33Å; N781-S783 PolarHBondContact OD1-N 3.49Å; N781-S783 VanDerWaalsContact OD1-N 3.08Å; S783-L785 VanDerWaalsContact C-N 3.26Å; S783-L785 PolarHBondContact O-N 2.92Å; S783-Q786 PolarHBondContact O-N 2.84Å; S783-E787 WeakPolarHBondContact O-CG 3Å; S783-E787 PolarHBondContact O-N 3.49Å
784	E	79.3	Confident	76.6	Confident	117 Å²	117	54.8 Å²	54.8	55%	0.547	29%	0.29	S	S	.	.	H	α-helix	trans	-62.2	-36.2	176.1	-71.9	166.9	-150.9	0	0	111.6	N781 A788	N781-E784 HydrophobicContact CB-CB 4.08Å; N781-E784 HydrophobicContact CB-CG 4.02Å; N781-E784 VanDerWaalsContact ND2-CD 3.31Å; N781-E784 PolarHBondContact ND2-OE1 2.76Å; N781-E784 PolarHBondContact O-N 3.06Å; E784-A788 WeakPolarHBondContact O-CB 3.48Å; E784-A788 PolarHBondContact O-N 2.8Å
785	L	82.3	Confident	76.7	Confident	18 Å²	18	55.5 Å²	55.5	9%	0.094	29%	0.293	C	S	.	.	H	α-helix	trans	-66.9	-41.4	176.6	-162.5	82.4	0	0	0	111.3	V649 V677 F776 N781 V782 S783 A788 V789	V649-L785 HydrophobicContact CB-CD2 4.21Å; V649-L785 HydrophobicContact CG1-CB 4.3Å; V649-L785 HydrophobicContact CG1-CD2 3.67Å; V649-L785 HydrophobicContact CG1-CG 3.87Å; V649-L785 HydrophobicContact CG2-CD2 3.49Å; V649-L785 VanDerWaalsContact CG2-CD2 3.49Å; V649-L785 HydrophobicContact CG2-CG 4.1Å; V677-L785 HydrophobicContact CG1-CD1 3.91Å; V677-L785 HydrophobicContact CG1-CD2 4.41Å; V677-L785 HydrophobicContact CG2-CD2 4.34Å; F776-L785 HydrophobicContact CZ-CD2 4.1Å; N781-L785 PolarHBondContact O-N 3.43Å; N781-L785 VanDerWaalsContact O-N 3.13Å; V782-L785 WeakPolarHBondContact O-CB 3.33Å; V782-L785 PolarHBondContact O-N 2.72Å; S783-L785 VanDerWaalsContact C-N 3.26Å; S783-L785 PolarHBondContact O-N 2.92Å; L785-A788 PolarHBondContact O-N 3.13Å; L785-V789 WeakPolarHBondContact O-CB 3.48Å; L785-V789 VanDerWaalsContact O-CG2 3.28Å; L785-V789 WeakPolarHBondContact O-CG2 3.34Å; L785-V789 PolarHBondContact O-N 3.25Å
786	Q	82.8	Confident	77.1	Confident	71 Å²	71	54.1 Å²	54.1	33%	0.332	29%	0.293	S	S	.	.	H	α-helix	trans	-66	-41.9	175.9	-73.9	179.4	-77.5	0	0	111.9	V649 V782 S783 V789 G790	V649-Q786 HydrophobicContact CG1-CG 3.97Å; V782-Q786 HydrophobicContact CG1-CG 4.45Å; V782-Q786 WeakPolarHBondContact O-CG 3.3Å; V782-Q786 PolarHBondContact O-N 2.91Å; S783-Q786 PolarHBondContact O-N 2.84Å; Q786-V789 PolarHBondContact O-N 2.76Å; Q786-G790 PolarHBondContact O-N 3.29Å
787	E	81	Confident	77.4	Confident	109 Å²	109	57.4 Å²	57.4	51%	0.509	32%	0.317	S	S	.	.	H	α-helix	trans	-60.8	-45.7	174.9	-74.1	173.7	-152.8	0	0	111.5	S783 V789 G790 A791	S783-E787 WeakPolarHBondContact O-CG 3Å; S783-E787 PolarHBondContact O-N 3.49Å; E787-V789 VanDerWaalsContact C-N 3.3Å; E787-V789 PolarHBondContact O-N 2.9Å; E787-G790 PolarHBondContact O-N 3.31Å; E787-A791 PolarHBondContact O-N 3.49Å
788	A	78.2	Confident	77.8	Confident	19 Å²	19	57.9 Å²	57.9	16%	0.157	32%	0.317	C	S	.	.	H	α-helix	trans	-65.2	-33.4	177.8	0	0	0	0	0	113	E784 L785 S792	E784-A788 WeakPolarHBondContact O-CB 3.48Å; E784-A788 PolarHBondContact O-N 2.8Å; L785-A788 PolarHBondContact O-N 3.13Å; A788-S792 PolarHBondContact O-OG 2.77Å
789	V	80.3	Confident	78.3	Confident	1 Å²	1	61.3 Å²	61.3	1%	0.006	33%	0.332	C	S	.	.	H	α-helix	trans	-75.6	-40.5	175.9	162.5	0	0	0	0	111.7	F645 N646 V649 L785 Q786 E787 A791 S792 Q793	F645-V789 HydrophobicContact CD1-CG2 4.39Å; F645-V789 HydrophobicContact CE1-CG2 4.05Å; N646-V789 HydrophobicContact CB-CG1 3.56Å; V649-V789 HydrophobicContact CB-CG1 4.44Å; V649-V789 HydrophobicContact CB-CG2 3.97Å; V649-V789 HydrophobicContact CG1-CB 4.17Å; V649-V789 HydrophobicContact CG1-CG1 4.48Å; V649-V789 HydrophobicContact CG1-CG2 3.85Å; V649-V789 HydrophobicContact CG2-CG2 4.04Å; L785-V789 WeakPolarHBondContact O-CB 3.48Å; L785-V789 VanDerWaalsContact O-CG2 3.28Å; L785-V789 WeakPolarHBondContact O-CG2 3.34Å; L785-V789 PolarHBondContact O-N 3.25Å; Q786-V789 PolarHBondContact O-N 2.76Å; E787-V789 VanDerWaalsContact C-N 3.3Å; E787-V789 PolarHBondContact O-N 2.9Å; V789-A791 PolarHBondContact O-N 3.27Å; V789-S792 CarbonylContact O-C 3.55Å; V789-S792 WeakPolarHBondContact O-CA 3.45Å; V789-S792 WeakPolarHBondContact O-CB 3.42Å; V789-S792 PolarHBondContact O-N 2.67Å; V789-Q793 PolarHBondContact O-N 2.84Å
790	G	73.5	Confident	79	Confident	42 Å²	42	60 Å²	60	43%	0.433	33%	0.33	S	S	.	.	H	α-helix	trans	-57.7	-38.1	177.6	0	0	0	0	0	112	Q786 E787 S792 Q793	Q786-G790 PolarHBondContact O-N 3.29Å; E787-G790 PolarHBondContact O-N 3.31Å; G790-S792 PolarHBondContact O-N 2.85Å; G790-Q793 PolarHBondContact O-N 3.01Å
791	A	68.1	Low	79.5	Confident	80 Å²	80	59.2 Å²	59.2	66%	0.661	33%	0.327	S	S	*	.	H	α-helix	trans	-63.3	-21	172.2	0	0	0	0	0	114.2	E787 V789	E787-A791 PolarHBondContact O-N 3.49Å; V789-A791 PolarHBondContact O-N 3.27Å
792	S	68.4	Low	80.1	Confident	2 Å²	2	57 Å²	57	1%	0.014	32%	0.315	C	S	.	.	H	α-helix	trans	-106.9	-3	-176.3	-54	0	0	0	0	113.7	N646 A788 V789 G790	N646-S792 PolarHBondContact ND2-O 3.44Å; A788-S792 PolarHBondContact O-OG 2.77Å; V789-S792 CarbonylContact O-C 3.55Å; V789-S792 WeakPolarHBondContact O-CA 3.45Å; V789-S792 WeakPolarHBondContact O-CB 3.42Å; V789-S792 PolarHBondContact O-N 2.67Å; G790-S792 PolarHBondContact O-N 2.85Å
793	Q	64.3	Low	80.7	Confident	76 Å²	76	55.8 Å²	55.8	36%	0.355	31%	0.308	S	S	.	.	H	α-helix	trans	-83.9	-33.6	-166.8	-161.3	173.9	-13.1	0	0	113.2	E650 V789 G790	E650-Q793 VanDerWaalsContact OE1-CD 3.28Å; E650-Q793 PolarHBondContact OE1-NE2 2.91Å; E650-Q793 PolarHBondContact OE1-OE1 3.33Å; E650-Q793 VanDerWaalsContact OE1-OE1 3.1Å; E650-Q793 PolarHBondContact OE2-NE2 3.39Å; V789-Q793 PolarHBondContact O-N 2.84Å; G790-Q793 PolarHBondContact O-N 3.01Å
794	E	65.8	Low	81.4	Confident	181 Å²	181	54.7 Å²	54.7	85%	0.846	30%	0.295	S	S	*	.	S	Bend	trans	-119	75	173	-67.3	-174.4	175.4	0	0	109.6	S796	E794-S796 PolarHBondContact O-N 3.45Å; E794-S796 VanDerWaalsContact O-N 3.08Å
795	L	79.3	Confident	82	Confident	22 Å²	22	49.4 Å²	49.4	12%	0.115	27%	0.271	C	S	.	.			trans	-64.2	112.9	171.2	-70.1	168.9	0	0	0	108.8	P600 F639 L642 H799 Q800 L803	P600-L795 HydrophobicContact CB-CD1 4.48Å; P600-L795 HydrophobicContact CG-CD2 4.28Å; F639-L795 HydrophobicContact CE1-CD1 4.46Å; L642-L795 HydrophobicContact CD2-CD1 3.77Å; L795-H799 HydrophobicContact CB-CB 4.34Å; L795-H799 HydrophobicContact CD2-CB 3.87Å; L795-Q800 HydrophobicContact CB-CG 3.67Å; L795-Q800 PolarHBondContact O-NE2 2.83Å; L795-L803 HydrophobicContact CD1-CD2 3.84Å
796	S	85.4	Confident	82.5	Confident	49 Å²	49	48.6 Å²	48.6	34%	0.343	27%	0.267	S	S	.	.			trans	-53.3	156.1	170.1	75.4	0	0	0	0	111.2	E794 R798 H799 Q800	E794-S796 PolarHBondContact O-N 3.45Å; E794-S796 VanDerWaalsContact O-N 3.08Å; S796-R798 PolarHBondContact O-N 3.39Å; S796-R798 VanDerWaalsContact O-N 3.11Å; S796-H799 PolarHBondContact O-N 2.9Å; S796-H799 PolarHBondContact OG-N 3.22Å; S796-H799 PolarHBondContact OG-ND1 2.91Å; S796-Q800 WeakPolarHBondContact O-CG 3.42Å; S796-Q800 PolarHBondContact O-N 3.32Å
797	S	85.9	Confident	83	Confident	77 Å²	77	45.2 Å²	45.2	54%	0.538	25%	0.251	S	S	.	.	H	α-helix	trans	-52	-36.8	176.1	56.9	0	0	0	0	112.4	Q800 A801	S797-Q800 PolarHBondContact O-N 3.49Å; S797-A801 WeakPolarHBondContact O-CB 3.26Å; S797-A801 PolarHBondContact O-N 2.89Å
798	R	88.3	Confident	83.7	Confident	87 Å²	87	40 Å²	40	33%	0.328	23%	0.227	S	C	.	.	H	α-helix	trans	-61.8	-49.8	174.4	-58.4	-177.1	60	101.6	-3.7	111.8	S796 Q800 A801 L802 D977 V980	S796-R798 PolarHBondContact O-N 3.39Å; S796-R798 VanDerWaalsContact O-N 3.11Å; R798-Q800 PolarHBondContact O-N 3.43Å; R798-A801 PolarHBondContact O-N 2.93Å; R798-L802 PolarHBondContact O-N 3.5Å; R798-L802 VanDerWaalsContact O-N 3.17Å; R798-D977 IonicContact CZ-OD1 3.43Å; R798-D977 IonicContact NH1-OD1 3.15Å; R798-D977 PolarHBondContact NH1-OD1 3.27Å; R798-D977 IonicContact NH2-OD1 3.31Å; R798-D977 PolarHBondContact NH2-OD1 2.84Å; R798-V980 HydrophobicContact CB-CG1 4.02Å; R798-V980 HydrophobicContact CB-CG2 4.23Å; R798-V980 HydrophobicContact CG-CG1 3.83Å
799	H	87.6	Confident	84.3	Confident	89 Å²	89	40.7 Å²	40.7	41%	0.412	23%	0.225	S	C	.	.	H	α-helix	trans	-66	-36.8	178.3	-65.5	137.2	0	0	0	112.4	L597 L795 S796 L802 L803	L597-H799 HydrophobicContact CD2-CB 4.11Å; L795-H799 HydrophobicContact CB-CB 4.34Å; L795-H799 HydrophobicContact CD2-CB 3.87Å; S796-H799 PolarHBondContact O-N 2.9Å; S796-H799 PolarHBondContact OG-N 3.22Å; S796-H799 PolarHBondContact OG-ND1 2.91Å; H799-L802 PolarHBondContact O-N 3.45Å; H799-L803 VanDerWaalsContact O-CB 3.26Å; H799-L803 WeakPolarHBondContact O-CB 3.48Å; H799-L803 PolarHBondContact O-N 2.84Å
800	Q	90	Very high	84.7	Confident	62 Å²	62	40.7 Å²	40.7	29%	0.29	23%	0.225	S	C	.	.	H	α-helix	trans	-64.6	-41.6	175.3	-66.5	-178.2	13	0	0	112.1	F639 L795 S796 S797 R798 L803 K804	F639-Q800 HydrophobicContact CE1-CG 4.48Å; L795-Q800 HydrophobicContact CB-CG 3.67Å; L795-Q800 PolarHBondContact O-NE2 2.83Å; S796-Q800 WeakPolarHBondContact O-CG 3.42Å; S796-Q800 PolarHBondContact O-N 3.32Å; S797-Q800 PolarHBondContact O-N 3.49Å; R798-Q800 PolarHBondContact O-N 3.43Å; Q800-L803 PolarHBondContact O-N 3.46Å; Q800-K804 WeakPolarHBondContact O-CB 3.33Å; Q800-K804 WeakPolarHBondContact O-CE 3.47Å; Q800-K804 WeakPolarHBondContact O-CG 3.48Å; Q800-K804 PolarHBondContact O-N 3.15Å
801	A	91.3	Very high	85.6	Confident	4 Å²	4	38.8 Å²	38.8	3%	0.033	21%	0.205	C	C	.	.	H	α-helix	trans	-61.1	-47.4	176.9	0	0	0	0	0	111.7	S797 R798 K804 L805 L983 L984	S797-A801 WeakPolarHBondContact O-CB 3.26Å; S797-A801 PolarHBondContact O-N 2.89Å; R798-A801 PolarHBondContact O-N 2.93Å; A801-K804 PolarHBondContact O-N 3.26Å; A801-L805 PolarHBondContact O-N 3.04Å; A801-L983 HydrophobicContact CB-CB 4.47Å; A801-L983 HydrophobicContact CB-CD1 4.17Å; A801-L984 HydrophobicContact CB-CD1 4.24Å; A801-L984 HydrophobicContact CB-CD2 3.98Å; A801-L984 HydrophobicContact CB-CG 4.05Å
802	L	91.5	Very high	86.7	Confident	6 Å²	6	35.3 Å²	35.3	3%	0.031	18%	0.175	C	C	.	.	H	α-helix	trans	-63.3	-43.9	176.2	-71.6	168.1	0	0	0	112.4	L597 R798 H799 K804 L805 L806 S976 L979 V980	L597-L802 HydrophobicContact CD1-CB 3.68Å; R798-L802 PolarHBondContact O-N 3.5Å; R798-L802 VanDerWaalsContact O-N 3.17Å; H799-L802 PolarHBondContact O-N 3.45Å; L802-K804 VanDerWaalsContact C-N 3.33Å; L802-K804 PolarHBondContact O-N 2.9Å; L802-L805 PolarHBondContact O-N 3.09Å; L802-L806 WeakPolarHBondContact O-CB 3.39Å; L802-L806 PolarHBondContact O-N 3.23Å; L802-S976 WeakPolarHBondContact CD1-OG 3.48Å; L802-L979 HydrophobicContact CD2-CB 4.01Å; L802-L979 HydrophobicContact CD2-CD1 4.41Å; L802-V980 HydrophobicContact CD1-CG2 3.65Å; L802-V980 HydrophobicContact CD2-CG2 3.84Å; L802-V980 HydrophobicContact CG-CG2 3.5Å
803	L	92.6	Very high	87.7	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-62.3	-41.9	178.4	-176.3	57.6	0	0	0	111.1	L597 P600 V601 I604 F639 L795 H799 Q800 L806 L807	L597-L803 HydrophobicContact CD1-CB 4.25Å; P600-L803 HydrophobicContact CB-CD2 4.03Å; V601-L803 HydrophobicContact CG2-CD1 3.53Å; I604-L803 HydrophobicContact CD1-CD1 4.37Å; I604-L803 HydrophobicContact CD1-CD2 3.99Å; I604-L803 HydrophobicContact CD1-CG 4.43Å; F639-L803 HydrophobicContact CD1-CD2 4.5Å; F639-L803 HydrophobicContact CE1-CD2 3.7Å; F639-L803 HydrophobicContact CE1-CG 4.28Å; F639-L803 HydrophobicContact CZ-CB 4.2Å; F639-L803 HydrophobicContact CZ-CD2 3.84Å; F639-L803 HydrophobicContact CZ-CG 3.91Å; L795-L803 HydrophobicContact CD1-CD2 3.84Å; H799-L803 VanDerWaalsContact O-CB 3.26Å; H799-L803 WeakPolarHBondContact O-CB 3.48Å; H799-L803 PolarHBondContact O-N 2.84Å; Q800-L803 PolarHBondContact O-N 3.46Å; L803-L806 PolarHBondContact O-N 3.37Å; L803-L807 HydrophobicContact CD1-CD1 4.42Å; L803-L807 HydrophobicContact CD1-CG 4.27Å; L803-L807 HydrophobicContact CG-CD1 4.19Å; L803-L807 HydrophobicContact CG-CG 4.47Å; L803-L807 WeakPolarHBondContact O-CB 3.45Å; L803-L807 VanDerWaalsContact O-CG 3.24Å; L803-L807 WeakPolarHBondContact O-CG 3.27Å; L803-L807 PolarHBondContact O-N 3.36Å
804	K	93.4	Very high	89	Confident	36 Å²	36	34 Å²	34	16%	0.157	17%	0.171	C	C	.	.	H	α-helix	trans	-59.1	-47.7	173.5	-79	-176.1	-71.8	-172.4	0	112.3	Q635 F639 Q800 A801 L802 L806 L807 C808 V895 R896	Q635-K804 VanDerWaalsContact OE1-CD 3.25Å; Q635-K804 VanDerWaalsContact OE1-CE 3.3Å; F639-K804 HydrophobicContact CE2-CG 3.9Å; F639-K804 HydrophobicContact CZ-CG 3.78Å; Q800-K804 WeakPolarHBondContact O-CB 3.33Å; Q800-K804 WeakPolarHBondContact O-CE 3.47Å; Q800-K804 WeakPolarHBondContact O-CG 3.48Å; Q800-K804 PolarHBondContact O-N 3.15Å; A801-K804 PolarHBondContact O-N 3.26Å; L802-K804 VanDerWaalsContact C-N 3.33Å; L802-K804 PolarHBondContact O-N 2.9Å; K804-L806 VanDerWaalsContact C-N 3.29Å; K804-L806 PolarHBondContact O-N 2.86Å; K804-L807 PolarHBondContact O-N 2.76Å; K804-C808 VanDerWaalsContact O-CB 3.25Å; K804-C808 WeakPolarHBondContact O-CB 3.37Å; K804-C808 PolarHBondContact O-N 3.29Å; K804-V895 HydrophobicContact CG-CG1 4.12Å; K804-R896 WeakPolarHBondContact CD-O 2.96Å
805	L	93.1	Very high	90.4	Very high	6 Å²	6	25.6 Å²	25.6	3%	0.031	13%	0.132	C	C	.	.	H	α-helix	trans	-60.7	-40.6	177.9	176.6	64.1	0	0	0	111.5	A801 L802 C808 R809 L905 V906 W949 L979 L983	A801-L805 PolarHBondContact O-N 3.04Å; L802-L805 PolarHBondContact O-N 3.09Å; L805-C808 WeakPolarHBondContact O-CB 3.48Å; L805-C808 PolarHBondContact O-N 3.07Å; L805-R809 WeakPolarHBondContact O-CB 3.07Å; L805-R809 PolarHBondContact O-N 3.31Å; L805-L905 HydrophobicContact CD1-CB 4.09Å; L805-L905 HydrophobicContact CD1-CD1 3.84Å; L805-L905 HydrophobicContact CD2-CD1 3.86Å; L805-V906 HydrophobicContact CD1-CG1 3.95Å; L805-W949 HydrophobicContact CD1-CZ3 4.29Å; L805-W949 HydrophobicContact CD2-CH2 4.02Å; L805-W949 HydrophobicContact CD2-CZ3 3.75Å; L805-W949 HydrophobicContact CG-CH2 3.95Å; L805-W949 HydrophobicContact CG-CZ3 4Å; L805-L979 HydrophobicContact CD2-CB 4.39Å; L805-L979 HydrophobicContact CD2-CD1 4.15Å; L805-L979 HydrophobicContact CD2-CD2 3.97Å; L805-L979 HydrophobicContact CD2-CG 4.41Å; L805-L983 HydrophobicContact CB-CD1 3.92Å; L805-L983 HydrophobicContact CD2-CD1 3.96Å; L805-L983 HydrophobicContact CG-CD1 4.47Å
806	L	92.5	Very high	91.1	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-66.1	-47.4	178.9	-168.4	156.1	0	0	0	112.1	M588 L591 F595 V601 L802 L803 K804 C808 R809 G810	M588-L806 HydrophobicContact CB-CD2 4.36Å; L591-L806 HydrophobicContact CB-CD1 4.27Å; L591-L806 HydrophobicContact CB-CD2 4.08Å; L591-L806 HydrophobicContact CB-CG 3.91Å; F595-L806 HydrophobicContact CD2-CD1 4.04Å; V601-L806 HydrophobicContact CG1-CD2 4.5Å; V601-L806 HydrophobicContact CG2-CD1 4.29Å; V601-L806 HydrophobicContact CG2-CD2 3.93Å; L802-L806 WeakPolarHBondContact O-CB 3.39Å; L802-L806 PolarHBondContact O-N 3.23Å; L803-L806 PolarHBondContact O-N 3.37Å; K804-L806 VanDerWaalsContact C-N 3.29Å; K804-L806 PolarHBondContact O-N 2.86Å; L806-C808 VanDerWaalsContact C-N 3.3Å; L806-C808 PolarHBondContact O-N 2.89Å; L806-R809 PolarHBondContact O-N 3Å; L806-G810 PolarHBondContact O-N 2.85Å
807	L	93	Very high	91.5	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-60.6	-43.4	174.5	-66.7	174.4	0	0	0	110.5	M588 I604 P638 F639 L803 K804 R809 G810 L811 V895	M588-L807 HydrophobicContact CE-CD2 4.08Å; M588-L807 HydrophobicContact CG-CD2 4.31Å; M588-L807 HydrophobicContact SD-CD2 3.73Å; I604-L807 HydrophobicContact CD1-CD1 4Å; I604-L807 HydrophobicContact CD1-CD2 4.44Å; I604-L807 HydrophobicContact CG2-CD2 3.88Å; P638-L807 HydrophobicContact CB-CD1 4.35Å; F639-L807 HydrophobicContact CE2-CD1 3.87Å; F639-L807 HydrophobicContact CZ-CD1 4.43Å; L803-L807 HydrophobicContact CD1-CD1 4.42Å; L803-L807 HydrophobicContact CD1-CG 4.27Å; L803-L807 HydrophobicContact CG-CD1 4.19Å; L803-L807 HydrophobicContact CG-CG 4.47Å; L803-L807 WeakPolarHBondContact O-CB 3.45Å; L803-L807 VanDerWaalsContact O-CG 3.24Å; L803-L807 WeakPolarHBondContact O-CG 3.27Å; L803-L807 PolarHBondContact O-N 3.36Å; K804-L807 PolarHBondContact O-N 2.76Å; L807-R809 PolarHBondContact O-N 3.38Å; L807-G810 PolarHBondContact O-N 3.4Å; L807-L811 WeakPolarHBondContact O-CB 3.38Å; L807-L811 WeakPolarHBondContact O-CD1 3.44Å; L807-L811 VanDerWaalsContact O-CG 3.28Å; L807-L811 WeakPolarHBondContact O-CG 3.33Å; L807-L811 PolarHBondContact O-N 2.82Å; L807-V895 HydrophobicContact CD1-CG2 4.11Å
808	C	94.3	Very high	91.8	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-57	-50.7	175.2	-167.7	0	0	0	0	111.5	K804 L805 L806 G810 L811 Y812 V897	K804-C808 VanDerWaalsContact O-CB 3.25Å; K804-C808 WeakPolarHBondContact O-CB 3.37Å; K804-C808 PolarHBondContact O-N 3.29Å; L805-C808 WeakPolarHBondContact O-CB 3.48Å; L805-C808 PolarHBondContact O-N 3.07Å; L806-C808 VanDerWaalsContact C-N 3.3Å; L806-C808 PolarHBondContact O-N 2.89Å; C808-G810 VanDerWaalsContact C-N 3.27Å; C808-G810 PolarHBondContact O-N 3.21Å; C808-L811 PolarHBondContact O-N 3.03Å; C808-L811 VanDerWaalsContact O-N 3.14Å; C808-Y812 WeakPolarHBondContact O-CB 3.41Å; C808-Y812 PolarHBondContact O-N 3.01Å; C808-V897 HydrophobicContact CB-CG1 3.96Å
809	R	91.3	Very high	91.9	Very high	33 Å²	33	18 Å²	18	13%	0.125	9%	0.09	C	C	.	.	H	α-helix	trans	-63.4	-31.9	178.4	-172.8	171.6	179.2	144.3	2.9	113.1	K587 L591 L805 L806 L807 V906 W949	K587-R809 WeakPolarHBondContact CE-O 3.31Å; L591-R809 HydrophobicContact CD1-CB 4.09Å; L591-R809 HydrophobicContact CD1-CG 3.84Å; L805-R809 WeakPolarHBondContact O-CB 3.07Å; L805-R809 PolarHBondContact O-N 3.31Å; L806-R809 PolarHBondContact O-N 3Å; L807-R809 PolarHBondContact O-N 3.38Å; R809-V906 HydrophobicContact CB-CG1 3.78Å; R809-V906 HydrophobicContact CG-CG1 4.18Å; R809-W949 HydrophobicContact CB-CH2 4.24Å; R809-W949 HydrophobicContact CG-CH2 4.35Å
810	G	90.2	Very high	91.6	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-67.8	-42.5	172.9	0	0	0	0	0	112.6	V584 L806 L807 C808	V584-G810 WeakPolarHBondContact CG1-O 3.43Å; L806-G810 PolarHBondContact O-N 2.85Å; L807-G810 PolarHBondContact O-N 3.4Å; C808-G810 VanDerWaalsContact C-N 3.27Å; C808-G810 PolarHBondContact O-N 3.21Å
811	L	91.6	Very high	91.2	Very high	2 Å²	2	20.7 Å²	20.7	1%	0.01	10%	0.102	C	C	.	.	H	α-helix	trans	-80.2	-27.9	-177.9	-67.6	164	0	0	0	113.3	V584 M588 L807 C808 Q814 A879 F880 V881	V584-L811 HydrophobicContact CG1-CD2 3.43Å; V584-L811 VanDerWaalsContact CG1-CD2 3.43Å; V584-L811 HydrophobicContact CG1-CG 4.14Å; M588-L811 HydrophobicContact CE-CD1 3.96Å; M588-L811 HydrophobicContact CE-CD2 3.59Å; M588-L811 HydrophobicContact CE-CG 3.4Å; L807-L811 WeakPolarHBondContact O-CB 3.38Å; L807-L811 WeakPolarHBondContact O-CD1 3.44Å; L807-L811 VanDerWaalsContact O-CG 3.28Å; L807-L811 WeakPolarHBondContact O-CG 3.33Å; L807-L811 PolarHBondContact O-N 2.82Å; C808-L811 PolarHBondContact O-N 3.03Å; C808-L811 VanDerWaalsContact O-N 3.14Å; L811-Q814 WeakPolarHBondContact O-CB 3.38Å; L811-Q814 WeakPolarHBondContact O-CG 3.34Å; L811-Q814 PolarHBondContact O-N 3.43Å; L811-A879 HydrophobicContact CB-CB 4.22Å; L811-A879 HydrophobicContact CD1-CB 3.75Å; L811-F880 WeakPolarHBondContact CD2-O 3.38Å; L811-V881 HydrophobicContact CD2-CB 4.12Å; L811-V881 HydrophobicContact CD2-CG2 3.63Å
812	Y	91.1	Very high	90.9	Very high	7 Å²	7	20.9 Å²	20.9	3%	0.027	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	133.3	-177.1	-164.1	-90.6	0	0	0	111.5	Q560 C808 L815 V906 A907 N908 D922	Q560-Y812 PolarHBondContact NE2-O 2.98Å; C808-Y812 WeakPolarHBondContact O-CB 3.41Å; C808-Y812 PolarHBondContact O-N 3.01Å; Y812-L815 HydrophobicContact CD2-CD1 3.8Å; Y812-L815 HydrophobicContact CD2-CG 4.13Å; Y812-L815 HydrophobicContact CE2-CD1 3.54Å; Y812-L815 HydrophobicContact CE2-CG 4.23Å; Y812-V906 WeakPolarHBondContact CD1-O 3.29Å; Y812-V906 HydrophobicContact CD2-CB 4.25Å; Y812-V906 HydrophobicContact CD2-CG2 3.32Å; Y812-V906 HydrophobicContact CE2-CG2 3.8Å; Y812-V906 HydrophobicContact CG-CB 4.3Å; Y812-V906 HydrophobicContact CG-CG2 3.84Å; Y812-A907 WeakPolarHBondContact OH-CA 3.29Å; Y812-N908 HydrophobicContact CE1-CB 4.36Å; Y812-D922 WeakPolarHBondContact CE1-OD2 3.45Å; Y812-D922 VanDerWaalsContact CZ-OD2 3.32Å; Y812-D922 PolarHBondContact OH-OD1 3.33Å; Y812-D922 PolarHBondContact OH-OD2 3.04Å
813	P	89.4	Confident	90.1	Very high	26 Å²	26	25.3 Å²	25.3	17%	0.169	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	cis	-92.3	21.8	12.2	36.6	-36.7	0	0	0	115.5	L815	P813-L815 VanDerWaalsContact C-N 3.31Å; P813-L815 PolarHBondContact O-N 2.99Å
814	Q	91.4	Very high	89.3	Confident	25 Å²	25	30.8 Å²	30.8	12%	0.117	16%	0.164	C	C	.	.			trans	-75.5	79.8	-179.1	-61.2	177.5	-21	0	0	111.8	L811 A879 F880 V881	L811-Q814 WeakPolarHBondContact O-CB 3.38Å; L811-Q814 WeakPolarHBondContact O-CG 3.34Å; L811-Q814 PolarHBondContact O-N 3.43Å; Q814-A879 WeakPolarHBondContact O-CA 3.37Å; Q814-F880 VanDerWaalsContact C-CE1 3.44Å; Q814-F880 HydrophobicContact CB-CD1 4.3Å; Q814-F880 HydrophobicContact CB-CD2 4.24Å; Q814-F880 HydrophobicContact CB-CE1 4.04Å; Q814-F880 HydrophobicContact CB-CE2 3.96Å; Q814-F880 HydrophobicContact CB-CG 4.4Å; Q814-F880 HydrophobicContact CB-CZ 3.86Å; Q814-F880 VanDerWaalsContact CB-O 3.31Å; Q814-F880 WeakPolarHBondContact CB-O 3.23Å; Q814-F880 HydrophobicContact CG-CE2 4.34Å; Q814-F880 HydrophobicContact CG-CZ 4.43Å; Q814-F880 WeakPolarHBondContact O-CD1 3.48Å; Q814-F880 PolarHBondContact O-N 3.31Å; Q814-F880 PolarHBondContact OE1-O 3.35Å; Q814-V881 PolarHBondContact OE1-O 3.01Å
815	L	94.3	Very high	88.7	Confident	5 Å²	5	33.1 Å²	33.1	3%	0.026	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	147.3	178.1	-62.1	-177.9	0	0	0	112.1	Y812 P813 L877 L878 A879 L903	Y812-L815 HydrophobicContact CD2-CD1 3.8Å; Y812-L815 HydrophobicContact CD2-CG 4.13Å; Y812-L815 HydrophobicContact CE2-CD1 3.54Å; Y812-L815 HydrophobicContact CE2-CG 4.23Å; P813-L815 VanDerWaalsContact C-N 3.31Å; P813-L815 PolarHBondContact O-N 2.99Å; L815-L877 HydrophobicContact CD1-CD1 4.16Å; L815-L878 CarbonylContact C-O 3.56Å; L815-L878 WeakPolarHBondContact CA-O 3.44Å; L815-A879 HydrophobicContact CD2-CB 3.8Å; L815-L903 HydrophobicContact CD1-CD2 3.59Å
816	A	95.3	Very high	87.7	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	131.8	173.7	0	0	0	0	0	110.9	F832 H833 T834 L878 F880 L891	A816-F832 HydrophobicContact CB-CB 4.1Å; A816-H833 CarbonylContact C-O 3.53Å; A816-H833 WeakPolarHBondContact CA-O 3.49Å; A816-T834 HydrophobicContact CB-CG2 4.08Å; A816-L878 HydrophobicContact CB-CB 4.34Å; A816-L878 PolarHBondContact N-O 3.28Å; A816-L878 PolarHBondContact O-N 3.12Å; A816-F880 HydrophobicContact CB-CD1 4.19Å; A816-F880 HydrophobicContact CB-CE1 4.27Å; A816-L891 HydrophobicContact CB-CD1 3.6Å; A816-L891 HydrophobicContact CB-CD2 4.26Å
817	L	94.3	Very high	86.5	Confident	14 Å²	14	44.8 Å²	44.8	7%	0.073	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	128.7	175.8	179.3	75.1	0	0	0	109.4	F832 H833 L877 W924 L925 L992 R994	L817-F832 CarbonylContact O-C 3.54Å; L817-F832 WeakPolarHBondContact O-CA 3.35Å; L817-H833 HydrophobicContact CB-CB 4.49Å; L817-H833 PolarHBondContact N-O 3.28Å; L817-H833 PolarHBondContact O-N 3.42Å; L817-L877 HydrophobicContact CB-CD2 4.15Å; L817-L877 HydrophobicContact CD1-CD2 3.66Å; L817-W924 HydrophobicContact CB-CH2 4.43Å; L817-W924 HydrophobicContact CB-CZ3 4.48Å; L817-L925 HydrophobicContact CB-CD2 4.43Å; L817-L925 HydrophobicContact CD1-CD2 4.41Å; L817-L925 HydrophobicContact CD2-CD2 4.08Å; L817-L992 HydrophobicContact CD1-CD1 4.22Å; L817-L992 HydrophobicContact CD1-CD2 3.44Å; L817-L992 VanDerWaalsContact CD1-CD2 3.44Å; L817-L992 HydrophobicContact CD1-CG 3.62Å; L817-R994 HydrophobicContact CD2-CB 3.74Å
818	P	91.2	Very high	85.2	Confident	36 Å²	36	49.3 Å²	49.3	23%	0.234	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	143.6	171.2	25.8	-33.7	0	0	0	111.8	F832 Q876	P818-F832 HydrophobicContact CB-CD1 4.01Å; P818-F832 HydrophobicContact CB-CE1 3.87Å; P818-Q876 WeakPolarHBondContact CD-O 3.37Å
819	D	89.6	Confident	84.3	Confident	25 Å²	25	52.4 Å²	52.4	13%	0.134	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-69.3	137.5	172.3	-166.9	-80.1	0	0	0	110.7	H821 N822 R825 V831 H833	D819-H821 PolarHBondContact O-N 2.98Å; D819-H821 VanDerWaalsContact O-N 3.07Å; D819-H821 WeakPolarHBondContact OD1-CB 3.17Å; D819-H821 IonicContact OD1-CG 2.83Å; D819-H821 PolarHBondContact OD1-N 3.47Å; D819-H821 IonicContact OD1-ND1 3.56Å; D819-H821 PolarHBondContact OD1-ND1 3.45Å; D819-N822 PolarHBondContact N-ND2 3.2Å; D819-N822 WeakPolarHBondContact O-CB 3.39Å; D819-N822 PolarHBondContact O-N 3.17Å; D819-N822 VanDerWaalsContact O-N 3.07Å; D819-R825 IonicContact OD1-CZ 3.01Å; D819-R825 IonicContact OD1-NH1 2.61Å; D819-R825 IonicContact OD1-NH2 3.81Å; D819-R825 PolarHBondContact OD1-NH2 3.02Å; D819-R825 IonicContact OD2-NH1 3.7Å; D819-R825 IonicContact OD2-NH2 3.64Å; D819-V831 HydrophobicContact CB-CB 4.1Å; D819-V831 HydrophobicContact CB-CG1 4.41Å; D819-V831 VanDerWaalsContact CB-O 3.29Å; D819-V831 WeakPolarHBondContact CB-O 3.44Å; D819-V831 PolarHBondContact N-O 3.28Å; D819-H833 IonicContact OD2-CD2 2.78Å; D819-H833 IonicContact OD2-CE1 3.79Å; D819-H833 IonicContact OD2-NE2 3.71Å; D819-H833 PolarHBondContact OD2-NE2 3.15Å
820	E	81.4	Confident	84.1	Confident	103 Å²	103	51.2 Å²	51.2	48%	0.481	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-28.3	179.8	-64.1	178.8	-165.9	0	0	112.8	R870	E820-R870 IonicContact OE1-CZ 3.73Å; E820-R870 IonicContact OE1-NH1 3.66Å; E820-R870 IonicContact OE1-NH2 3.32Å; E820-R870 PolarHBondContact OE1-NH2 3.42Å; E820-R870 IonicContact OE2-CZ 3.23Å; E820-R870 IonicContact OE2-NE 3.34Å; E820-R870 IonicContact OE2-NH2 2.73Å; E820-R870 PolarHBondContact OE2-NH2 3.15Å
821	H	82.7	Confident	84.2	Confident	104 Å²	104	52.3 Å²	52.3	48%	0.481	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	5.5	-176.1	-52	86.5	0	0	0	113.7	D819 T823 T824 R825	D819-H821 PolarHBondContact O-N 2.98Å; D819-H821 VanDerWaalsContact O-N 3.07Å; D819-H821 WeakPolarHBondContact OD1-CB 3.17Å; D819-H821 IonicContact OD1-CG 2.83Å; D819-H821 PolarHBondContact OD1-N 3.47Å; D819-H821 IonicContact OD1-ND1 3.56Å; D819-H821 PolarHBondContact OD1-ND1 3.45Å; H821-T823 PolarHBondContact O-N 2.91Å; H821-T824 PolarHBondContact O-N 3.34Å; H821-T824 PolarHBondContact O-OG1 3.23Å; H821-R825 PolarHBondContact O-N 2.81Å
822	N	84.4	Confident	84.3	Confident	9 Å²	9	52.3 Å²	52.3	5%	0.048	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-61.7	-27.8	-176.1	-84.1	-12.7	0	0	0	113.7	D819 T824 R825 Q830 V831	D819-N822 PolarHBondContact N-ND2 3.2Å; D819-N822 WeakPolarHBondContact O-CB 3.39Å; D819-N822 PolarHBondContact O-N 3.17Å; D819-N822 VanDerWaalsContact O-N 3.07Å; N822-T824 PolarHBondContact O-N 2.85Å; N822-R825 PolarHBondContact O-N 3.03Å; N822-Q830 HydrophobicContact CB-CG 4.39Å; N822-Q830 WeakPolarHBondContact OD1-CA 3.37Å; N822-V831 PolarHBondContact ND2-O 3.24Å; N822-V831 PolarHBondContact OD1-N 3.3Å; N822-V831 PolarHBondContact OD1-O 3.3Å
823	T	75.4	Confident	84.4	Confident	98 Å²	98	53.3 Å²	53.3	60%	0.601	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-62.3	-26.8	174.8	52.3	0	0	0	0	113	H821	H821-T823 PolarHBondContact O-N 2.91Å
824	T	75.9	Confident	84.6	Confident	116 Å²	116	52.4 Å²	52.4	71%	0.712	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-96.5	-10.2	179.1	65.5	0	0	0	0	113.7	H821 N822	H821-T824 PolarHBondContact O-N 3.34Å; H821-T824 PolarHBondContact O-OG1 3.23Å; N822-T824 PolarHBondContact O-N 2.85Å
825	R	79.6	Confident	84.5	Confident	85 Å²	85	55.9 Å²	55.9	32%	0.321	29%	0.288	S	S	.	.	S	Bend	trans	-87.2	157.1	-177.5	-71	-179.1	-178.2	160.2	8.3	110.5	D819 H821 N822	D819-R825 IonicContact OD1-CZ 3.01Å; D819-R825 IonicContact OD1-NH1 2.61Å; D819-R825 IonicContact OD1-NH2 3.81Å; D819-R825 PolarHBondContact OD1-NH2 3.02Å; D819-R825 IonicContact OD2-NH1 3.7Å; D819-R825 IonicContact OD2-NH2 3.64Å; H821-R825 PolarHBondContact O-N 2.81Å; N822-R825 PolarHBondContact O-N 3.03Å
826	K	72	Confident	84.2	Confident	162 Å²	162	60.2 Å²	60.2	70%	0.704	31%	0.311	S	S	*	.			trans	-63.8	142.3	169.3	-65.4	-178.8	-179.8	179.4	0	109.2	S828 D829	K826-S828 PolarHBondContact O-N 2.79Å; K826-S828 VanDerWaalsContact O-N 3.07Å; K826-D829 PolarHBondContact O-N 2.9Å
827	D	68.6	Low	84	Confident	90 Å²	90	63 Å²	63	48%	0.481	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-44.8	-41.3	-179.8	-68.2	-13.4	0	0	0	114.7	D829 P852	D827-D829 VanDerWaalsContact C-N 3.3Å; D827-D829 PolarHBondContact O-N 2.81Å; D827-P852 HydrophobicContact CB-CB 4.32Å; D827-P852 HydrophobicContact CB-CG 3.4Å; D827-P852 VanDerWaalsContact CB-CG 3.4Å; D827-P852 VanDerWaalsContact CG-CG 3.5Å
828	S	65.8	Low	83.8	Confident	95 Å²	95	68.2 Å²	68.2	66%	0.664	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-75.7	-12.3	-179.2	57.3	0	0	0	0	115.2	K826	K826-S828 PolarHBondContact O-N 2.79Å; K826-S828 VanDerWaalsContact O-N 3.07Å
829	D	75.9	Confident	83.8	Confident	66 Å²	66	68.3 Å²	68.3	35%	0.353	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-119.3	22.4	-174.2	-70.8	-47.3	0	0	0	112.2	K826 D827 V831 K888	K826-D829 PolarHBondContact O-N 2.9Å; D827-D829 VanDerWaalsContact C-N 3.3Å; D827-D829 PolarHBondContact O-N 2.81Å; D829-V831 WeakPolarHBondContact O-CG2 3.48Å; D829-V831 PolarHBondContact O-N 3.46Å; D829-K888 IonicContact OD1-NZ 3.39Å
830	Q	85.8	Confident	84	Confident	8 Å²	8	67.1 Å²	67.1	4%	0.037	35%	0.348	C	S	.	.			trans	-59	133.2	170	-69.6	-166.7	-3.3	0	0	110.5	N822 F832 P852 H856	N822-Q830 HydrophobicContact CB-CG 4.39Å; N822-Q830 WeakPolarHBondContact OD1-CA 3.37Å; Q830-F832 HydrophobicContact CB-CE2 3.81Å; Q830-F832 HydrophobicContact CB-CZ 4.23Å; Q830-P852 PolarHBondContact NE2-O 3.48Å; Q830-H856 PolarHBondContact NE2-NE2 3.14Å
831	V	91.7	Very high	84.5	Confident	23 Å²	23	62.9 Å²	62.9	14%	0.139	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	147	-175.7	177.7	0	0	0	0	110.5	D819 N822 D829 G839 V840 V841	D819-V831 HydrophobicContact CB-CB 4.1Å; D819-V831 HydrophobicContact CB-CG1 4.41Å; D819-V831 VanDerWaalsContact CB-O 3.29Å; D819-V831 WeakPolarHBondContact CB-O 3.44Å; D819-V831 PolarHBondContact N-O 3.28Å; N822-V831 PolarHBondContact ND2-O 3.24Å; N822-V831 PolarHBondContact OD1-N 3.3Å; N822-V831 PolarHBondContact OD1-O 3.3Å; D829-V831 WeakPolarHBondContact O-CG2 3.48Å; D829-V831 PolarHBondContact O-N 3.46Å; V831-G839 VanDerWaalsContact CG1-CA 3.49Å; V831-V840 CarbonylContact C-O 3.39Å; V831-V840 WeakPolarHBondContact CA-O 3.38Å; V831-V841 HydrophobicContact CG2-CG1 4.36Å
832	F	93.7	Very high	84.9	Confident	2 Å²	2	58.7 Å²	58.7	1%	0.009	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	163.6	179.4	-57.4	-97.8	0	0	0	109.7	A816 L817 P818 Q830 G839 V840 M842 L855 L878 L891	A816-F832 HydrophobicContact CB-CB 4.1Å; L817-F832 CarbonylContact O-C 3.54Å; L817-F832 WeakPolarHBondContact O-CA 3.35Å; P818-F832 HydrophobicContact CB-CD1 4.01Å; P818-F832 HydrophobicContact CB-CE1 3.87Å; Q830-F832 HydrophobicContact CB-CE2 3.81Å; Q830-F832 HydrophobicContact CB-CZ 4.23Å; F832-G839 PolarHBondContact O-N 2.86Å; F832-V840 HydrophobicContact CB-CG2 3.89Å; F832-V840 PolarHBondContact N-O 2.89Å; F832-V840 WeakPolarHBondContact O-CG2 3.46Å; F832-V840 PolarHBondContact O-N 3.31Å; F832-M842 HydrophobicContact CD2-CG 4.14Å; F832-M842 HydrophobicContact CD2-SD 4.14Å; F832-M842 HydrophobicContact CE2-CG 3.49Å; F832-M842 VanDerWaalsContact CE2-CG 3.49Å; F832-M842 HydrophobicContact CE2-SD 3.87Å; F832-M842 HydrophobicContact CZ-CG 4.05Å; F832-M842 HydrophobicContact CZ-SD 4.22Å; F832-L855 HydrophobicContact CE1-CD1 4.07Å; F832-L855 HydrophobicContact CZ-CD1 3.74Å; F832-L878 HydrophobicContact CD1-CD1 3.67Å; F832-L878 HydrophobicContact CD1-CG 4.31Å; F832-L878 HydrophobicContact CE1-CD1 3.38Å; F832-L878 HydrophobicContact CE1-CG 4.1Å; F832-L878 HydrophobicContact CG-CD1 4.38Å; F832-L878 HydrophobicContact CZ-CD1 3.89Å; F832-L891 HydrophobicContact CB-CD1 3.74Å; F832-L891 HydrophobicContact CD2-CD1 4.27Å; F832-L891 HydrophobicContact CG-CD1 3.97Å
833	H	93.8	Very high	85.1	Confident	27 Å²	27	59.9 Å²	59.9	13%	0.125	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	122.8	-175.1	-63.2	-66.4	0	0	0	110.1	A816 L817 D819 G839	A816-H833 CarbonylContact C-O 3.53Å; A816-H833 WeakPolarHBondContact CA-O 3.49Å; L817-H833 HydrophobicContact CB-CB 4.49Å; L817-H833 PolarHBondContact N-O 3.28Å; L817-H833 PolarHBondContact O-N 3.42Å; D819-H833 IonicContact OD2-CD2 2.78Å; D819-H833 IonicContact OD2-CE1 3.79Å; D819-H833 IonicContact OD2-NE2 3.71Å; D819-H833 PolarHBondContact OD2-NE2 3.15Å; H833-G839 PolarHBondContact ND1-N 3.42Å
834	T	93.6	Very high	85.4	Confident	7 Å²	7	58.4 Å²	58.4	4%	0.043	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	166.4	170.8	70	0	0	0	0	109.8	A816 N836 K837 V840 F880 L891 R994	A816-T834 HydrophobicContact CB-CG2 4.08Å; T834-N836 PolarHBondContact O-N 3.08Å; T834-K837 PolarHBondContact N-O 3.46Å; T834-K837 PolarHBondContact O-N 3.37Å; T834-K837 WeakPolarHBondContact OG1-CA 3.39Å; T834-K837 WeakPolarHBondContact OG1-CB 3.41Å; T834-K837 PolarHBondContact OG1-N 2.84Å; T834-K837 PolarHBondContact OG1-O 3.14Å; T834-V840 HydrophobicContact CG2-CG2 4.24Å; T834-F880 HydrophobicContact CG2-CE1 3.73Å; T834-F880 HydrophobicContact CG2-CZ 3.86Å; T834-L891 HydrophobicContact CG2-CD2 4.3Å; T834-R994 PolarHBondContact O-NH2 2.95Å
835	R	89.3	Confident	85.7	Confident	99 Å²	99	56.4 Å²	56.4	37%	0.374	30%	0.295	S	S	.	.	S	Bend	trans	-47.4	-48.5	174.3	-170.3	-178.9	-170.2	-167.2	5	112.2	E559 D922 W924 R994	E559-R835 IonicContact OE1-NH1 2.72Å; R835-D922 PolarHBondContact NH2-O 2.74Å; R835-W924 HydrophobicContact CB-CD2 3.94Å; R835-W924 HydrophobicContact CB-CE3 4.5Å; R835-W924 HydrophobicContact CB-CG 4.15Å; R835-W924 HydrophobicContact CB-CZ2 4.35Å; R835-W924 HydrophobicContact CG-CB 4.23Å; R835-W924 HydrophobicContact CG-CD2 4.1Å; R835-W924 HydrophobicContact CG-CG 3.75Å; R835-R994 PolarHBondContact O-NH2 3.46Å
836	N	88.3	Confident	86.1	Confident	96 Å²	96	52.4 Å²	52.4	51%	0.513	28%	0.28	S	S	.	.	S	Bend	trans	-102.9	-11.7	-170.5	-59.4	-7.5	0	0	0	114.3	K465 T834	K465-N836 WeakPolarHBondContact O-CB 3.49Å; K465-N836 PolarHBondContact O-ND2 3.38Å; T834-N836 PolarHBondContact O-N 3.08Å
837	K	90.3	Very high	86.8	Confident	58 Å²	58	45.3 Å²	45.3	25%	0.252	25%	0.25	S	S	.	.			trans	-143	124.1	-178.3	-174.3	72.4	174.4	-172.9	0	111.2	T834 V840 L883 E885	T834-K837 PolarHBondContact N-O 3.46Å; T834-K837 PolarHBondContact O-N 3.37Å; T834-K837 WeakPolarHBondContact OG1-CA 3.39Å; T834-K837 WeakPolarHBondContact OG1-CB 3.41Å; T834-K837 PolarHBondContact OG1-N 2.84Å; T834-K837 PolarHBondContact OG1-O 3.14Å; K837-V840 HydrophobicContact CB-CG1 4.24Å; K837-V840 HydrophobicContact CG-CG1 3.65Å; K837-L883 HydrophobicContact CB-CD2 4.28Å; K837-E885 IonicContact NZ-OE1 3.34Å
838	Q	91.2	Very high	87.8	Confident	124 Å²	124	41.1 Å²	41.1	58%	0.579	23%	0.228	S	C	*	.			trans	-92.2	159.1	174	-30.2	-150.8	-14.5	0	0	110.5	R994	Q838-R994 VanDerWaalsContact NE2-CZ 3.25Å
839	G	91.2	Very high	88.7	Confident	37 Å²	37	38.1 Å²	38.1	38%	0.381	21%	0.209	S	C	.	.	S	Bend	trans	75	34.5	168.6	0	0	0	0	0	114.3	V831 F832 H833	V831-G839 VanDerWaalsContact CG1-CA 3.49Å; F832-G839 PolarHBondContact O-N 2.86Å; H833-G839 PolarHBondContact ND1-N 3.42Å
840	V	93.4	Very high	88.9	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	149.1	179.9	-50.4	0	0	0	0	110.9	V831 F832 T834 K837 L883 P889 L891	V831-V840 CarbonylContact C-O 3.39Å; V831-V840 WeakPolarHBondContact CA-O 3.38Å; F832-V840 HydrophobicContact CB-CG2 3.89Å; F832-V840 PolarHBondContact N-O 2.89Å; F832-V840 WeakPolarHBondContact O-CG2 3.46Å; F832-V840 PolarHBondContact O-N 3.31Å; T834-V840 HydrophobicContact CG2-CG2 4.24Å; K837-V840 HydrophobicContact CB-CG1 4.24Å; K837-V840 HydrophobicContact CG-CG1 3.65Å; V840-L883 HydrophobicContact CB-CD1 4.16Å; V840-L883 HydrophobicContact CG1-CD1 3.93Å; V840-L883 HydrophobicContact CG2-CD1 4.49Å; V840-P889 WeakPolarHBondContact CA-O 3.41Å; V840-P889 HydrophobicContact CB-CB 4.38Å; V840-P889 HydrophobicContact CB-CG 4.38Å; V840-P889 HydrophobicContact CG1-CB 3.94Å; V840-P889 HydrophobicContact CG1-CG 4.01Å; V840-L891 HydrophobicContact CB-CG 4.43Å; V840-L891 HydrophobicContact CG2-CD1 3.72Å; V840-L891 HydrophobicContact CG2-CD2 3.99Å; V840-L891 HydrophobicContact CG2-CG 3.65Å
841	V	92.6	Very high	88.6	Confident	14 Å²	14	40.4 Å²	40.4	9%	0.085	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	162.1	-175.4	-69.5	0	0	0	0	111.1	V831 K888 P889 Y890 L891	V831-V841 HydrophobicContact CG2-CG1 4.36Å; V841-K888 HydrophobicContact CG2-CB 4.02Å; V841-K888 HydrophobicContact CG2-CD 4.28Å; V841-P889 WeakPolarHBondContact CG2-O 3.47Å; V841-P889 PolarHBondContact N-O 3.11Å; V841-Y890 HydrophobicContact CG2-CD1 3.47Å; V841-Y890 VanDerWaalsContact CG2-CD1 3.47Å; V841-Y890 HydrophobicContact CG2-CE1 3.42Å; V841-Y890 VanDerWaalsContact CG2-CE1 3.42Å; V841-Y890 HydrophobicContact CG2-CG 4.28Å; V841-Y890 CarbonylContact O-C 3.54Å; V841-Y890 VanDerWaalsContact O-CA 3.23Å; V841-Y890 WeakPolarHBondContact O-CA 3.49Å; V841-L891 PolarHBondContact O-N 3.27Å
842	M	90.7	Very high	88.2	Confident	17 Å²	17	39.7 Å²	39.7	8%	0.084	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	137.4	175.5	-66.1	-55.9	-59.1	0	0	111.3	F832 S846 F848 A849 L878 Y890 L891 C894	F832-M842 HydrophobicContact CD2-CG 4.14Å; F832-M842 HydrophobicContact CD2-SD 4.14Å; F832-M842 HydrophobicContact CE2-CG 3.49Å; F832-M842 VanDerWaalsContact CE2-CG 3.49Å; F832-M842 HydrophobicContact CE2-SD 3.87Å; F832-M842 HydrophobicContact CZ-CG 4.05Å; F832-M842 HydrophobicContact CZ-SD 4.22Å; M842-S846 WeakPolarHBondContact CE-OG 3.34Å; M842-F848 HydrophobicContact CE-CB 4.15Å; M842-F848 HydrophobicContact CE-CD2 3.95Å; M842-A849 HydrophobicContact CB-CB 4.26Å; M842-L878 HydrophobicContact CE-CD1 4.28Å; M842-L878 HydrophobicContact SD-CD1 3.59Å; M842-L878 VanDerWaalsContact SD-CD1 3.59Å; M842-Y890 WeakPolarHBondContact O-CD1 3.34Å; M842-L891 HydrophobicContact CE-CB 4.48Å; M842-L891 HydrophobicContact SD-CB 3.97Å; M842-L891 HydrophobicContact SD-CD1 4.03Å; M842-C894 HydrophobicContact CE-CB 3.86Å; M842-C894 VanDerWaalsContact CE-SG 3.55Å
843	H	88.1	Confident	87.6	Confident	34 Å²	34	46.2 Å²	46.2	16%	0.157	25%	0.251	C	S	.	.			trans	-63.4	138.2	172.9	-168.8	-95.9	0	0	0	110.2	T845 S846 A849 Y890 L891 S892	H843-T845 PolarHBondContact CE1-OG1 2.9Å; H843-T845 PolarHBondContact ND1-N 3.09Å; H843-T845 PolarHBondContact ND1-OG1 3.18Å; H843-T845 PolarHBondContact O-N 3.39Å; H843-S846 WeakPolarHBondContact O-CB 3.29Å; H843-S846 PolarHBondContact O-N 3Å; H843-A849 WeakPolarHBondContact O-CB 3.33Å; H843-Y890 HydrophobicContact CB-CD1 4.42Å; H843-L891 VanDerWaalsContact CB-O 3.23Å; H843-L891 WeakPolarHBondContact CB-O 3.41Å; H843-L891 PolarHBondContact N-O 3.02Å; H843-S892 WeakPolarHBondContact CB-OG 3.31Å
844	P	83.3	Confident	87.1	Confident	66 Å²	66	46.3 Å²	46.3	43%	0.429	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-22.4	-176.4	-28	35.6	0	0	0	115.1	Q619 S846	Q619-P844 PolarHBondContact NE2-O 2.68Å; P844-S846 VanDerWaalsContact C-N 3.33Å
845	T	81.1	Confident	86.7	Confident	74 Å²	74	46.8 Å²	46.8	45%	0.454	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-4.7	176.7	68.4	0	0	0	0	114.4	H843	H843-T845 PolarHBondContact CE1-OG1 2.9Å; H843-T845 PolarHBondContact ND1-N 3.09Å; H843-T845 PolarHBondContact ND1-OG1 3.18Å; H843-T845 PolarHBondContact O-N 3.39Å
846	S	87.6	Confident	86.3	Confident	2 Å²	2	44.9 Å²	44.9	1%	0.014	25%	0.251	C	S	.	.	S	Bend	trans	-74.8	147.5	176.9	-170.4	0	0	0	0	110.5	D637 M842 H843 P844 F848 A849 S850	D637-S846 VanDerWaalsContact CG-OG 3.25Å; D637-S846 VanDerWaalsContact OD1-CA 3.24Å; D637-S846 WeakPolarHBondContact OD1-CA 3.46Å; D637-S846 PolarHBondContact OD1-OG 3.05Å; D637-S846 PolarHBondContact OD2-OG 3.16Å; M842-S846 WeakPolarHBondContact CE-OG 3.34Å; H843-S846 WeakPolarHBondContact O-CB 3.29Å; H843-S846 PolarHBondContact O-N 3Å; P844-S846 VanDerWaalsContact C-N 3.33Å; S846-F848 PolarHBondContact O-N 3.11Å; S846-A849 WeakPolarHBondContact O-CB 3.45Å; S846-A849 PolarHBondContact O-N 3.37Å; S846-A849 VanDerWaalsContact O-N 3.14Å; S846-S850 PolarHBondContact O-N 3.09Å
847	V	87.3	Confident	85.5	Confident	13 Å²	13	42.8 Å²	42.8	8%	0.079	24%	0.242	C	C	.	.	H	α-helix	trans	-61.7	-36.5	173.6	176.5	0	0	0	0	111	H632 D637 T640 A849 S850 D851	H632-V847 HydrophobicContact CB-CG1 4.07Å; D637-V847 PolarHBondContact OD1-N 3.18Å; T640-V847 HydrophobicContact CG2-CG2 3.89Å; T640-V847 WeakPolarHBondContact OG1-CG2 3.33Å; V847-A849 PolarHBondContact O-N 3.09Å; V847-S850 WeakPolarHBondContact O-CA 3.38Å; V847-S850 WeakPolarHBondContact O-CB 3.4Å; V847-S850 PolarHBondContact O-N 2.78Å; V847-D851 PolarHBondContact O-N 2.94Å
848	F	88.4	Confident	84.3	Confident	2 Å²	2	42.6 Å²	42.6	1%	0.009	25%	0.246	C	C	.	.	H	α-helix	trans	-68.1	-21.7	176.9	-56.8	-47.8	0	0	0	113.8	M842 S846 S850 D851 P852 V854 L855 L878 C894 R896	M842-F848 HydrophobicContact CE-CB 4.15Å; M842-F848 HydrophobicContact CE-CD2 3.95Å; S846-F848 PolarHBondContact O-N 3.11Å; F848-S850 VanDerWaalsContact C-N 3.29Å; F848-D851 CarbonylContact O-C 3.6Å; F848-P852 WeakPolarHBondContact O-CA 3.41Å; F848-V854 HydrophobicContact CD1-CG1 4.43Å; F848-V854 HydrophobicContact CE1-CG1 4.17Å; F848-L855 HydrophobicContact CB-CD1 3.78Å; F848-L855 HydrophobicContact CB-CG 4.29Å; F848-L855 HydrophobicContact CD1-CD1 4.32Å; F848-L855 HydrophobicContact CD1-CD2 3.79Å; F848-L855 HydrophobicContact CD1-CG 4.03Å; F848-L855 HydrophobicContact CD2-CD1 4.36Å; F848-L855 HydrophobicContact CD2-CD2 4.42Å; F848-L855 HydrophobicContact CE1-CD2 3.85Å; F848-L855 HydrophobicContact CE2-CD2 4.46Å; F848-L855 HydrophobicContact CG-CD1 3.93Å; F848-L855 HydrophobicContact CG-CD2 4.09Å; F848-L855 HydrophobicContact CG-CG 4.15Å; F848-L855 HydrophobicContact CZ-CD2 4.18Å; F848-L878 HydrophobicContact CD2-CD2 4.23Å; F848-L878 HydrophobicContact CE2-CD2 3.88Å; F848-L878 HydrophobicContact CZ-CD2 4.45Å; F848-C894 HydrophobicContact CD2-CB 3.97Å; F848-C894 HydrophobicContact CE2-CB 3.84Å; F848-R896 HydrophobicContact CZ-CB 3.98Å; F848-R896 HydrophobicContact CZ-CG 4.22Å
849	A	85.2	Confident	82.7	Confident	32 Å²	32	45.8 Å²	45.8	26%	0.264	26%	0.261	S	S	.	.	H	α-helix	trans	-76.4	-21.7	171.2	0	0	0	0	0	112	M842 H843 S846 V847	M842-A849 HydrophobicContact CB-CB 4.26Å; H843-A849 WeakPolarHBondContact O-CB 3.33Å; S846-A849 WeakPolarHBondContact O-CB 3.45Å; S846-A849 PolarHBondContact O-N 3.37Å; S846-A849 VanDerWaalsContact O-N 3.14Å; V847-A849 PolarHBondContact O-N 3.09Å
850	S	79.7	Confident	80.7	Confident	49 Å²	49	48.7 Å²	48.7	34%	0.343	27%	0.268	S	S	.	.	H	α-helix	trans	-89.7	-27.8	176.4	-61.2	0	0	0	0	113	S846 V847 F848	S846-S850 PolarHBondContact O-N 3.09Å; V847-S850 WeakPolarHBondContact O-CA 3.38Å; V847-S850 WeakPolarHBondContact O-CB 3.4Å; V847-S850 PolarHBondContact O-N 2.78Å; F848-S850 VanDerWaalsContact C-N 3.29Å
851	D	80.9	Confident	78.2	Confident	73 Å²	73	57.1 Å²	57.1	39%	0.39	31%	0.307	S	S	.	.			trans	-137.7	81.1	-179.2	-171.7	2.9	0	0	0	109.9	V847 F848 V854	V847-D851 PolarHBondContact O-N 2.94Å; F848-D851 CarbonylContact O-C 3.6Å; D851-V854 HydrophobicContact CB-CG2 4.36Å; D851-V854 VanDerWaalsContact CG-CG2 3.48Å; D851-V854 VanDerWaalsContact OD2-CG2 3.24Å; D851-V854 WeakPolarHBondContact OD2-CG2 3.48Å
852	P	82.8	Confident	75.7	Confident	8 Å²	8	62.3 Å²	62.3	5%	0.052	34%	0.341	C	S	.	.			trans	-77.2	-23.9	-172.9	2.5	9.3	0	0	0	113.7	D827 Q830 F848 V854 L855	D827-P852 HydrophobicContact CB-CB 4.32Å; D827-P852 HydrophobicContact CB-CG 3.4Å; D827-P852 VanDerWaalsContact CB-CG 3.4Å; D827-P852 VanDerWaalsContact CG-CG 3.5Å; Q830-P852 PolarHBondContact NE2-O 3.48Å; F848-P852 WeakPolarHBondContact O-CA 3.41Å; P852-V854 PolarHBondContact O-N 3.12Å; P852-L855 PolarHBondContact O-N 3.06Å; P852-L855 VanDerWaalsContact O-N 3.12Å
853	E	81.3	Confident	73.3	Confident	139 Å²	139	73 Å²	73	65%	0.65	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-62.4	-27.9	-178.5	-63.5	-178	179.2	0	0	111.5	L855 H856	E853-L855 PolarHBondContact O-N 3.4Å; E853-L855 VanDerWaalsContact O-N 3.1Å; E853-H856 WeakPolarHBondContact O-CB 3.46Å; E853-H856 PolarHBondContact O-N 3.16Å
854	V	83.7	Confident	71	Confident	29 Å²	29	80 Å²	80	18%	0.176	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	-58	-25.2	175.9	172.6	0	0	0	0	113.3	N634 F848 D851 P852	N634-V854 HydrophobicContact CB-CG1 3.89Å; N634-V854 HydrophobicContact CB-CG2 4.18Å; N634-V854 WeakPolarHBondContact O-CG1 3.38Å; F848-V854 HydrophobicContact CD1-CG1 4.43Å; F848-V854 HydrophobicContact CE1-CG1 4.17Å; D851-V854 HydrophobicContact CB-CG2 4.36Å; D851-V854 VanDerWaalsContact CG-CG2 3.48Å; D851-V854 VanDerWaalsContact OD2-CG2 3.24Å; D851-V854 WeakPolarHBondContact OD2-CG2 3.48Å; P852-V854 PolarHBondContact O-N 3.12Å
855	L	83.9	Confident	69	Low	17 Å²	17	83.8 Å²	83.8	9%	0.089	44%	0.436	C	S	.	.	G	3₁₀ helix	trans	-94.7	-6.7	-179.9	-60.8	-174.1	0	0	0	113.5	F832 F848 P852 E853 L878 R896	F832-L855 HydrophobicContact CE1-CD1 4.07Å; F832-L855 HydrophobicContact CZ-CD1 3.74Å; F848-L855 HydrophobicContact CB-CD1 3.78Å; F848-L855 HydrophobicContact CB-CG 4.29Å; F848-L855 HydrophobicContact CD1-CD1 4.32Å; F848-L855 HydrophobicContact CD1-CD2 3.79Å; F848-L855 HydrophobicContact CD1-CG 4.03Å; F848-L855 HydrophobicContact CD2-CD1 4.36Å; F848-L855 HydrophobicContact CD2-CD2 4.42Å; F848-L855 HydrophobicContact CE1-CD2 3.85Å; F848-L855 HydrophobicContact CE2-CD2 4.46Å; F848-L855 HydrophobicContact CG-CD1 3.93Å; F848-L855 HydrophobicContact CG-CD2 4.09Å; F848-L855 HydrophobicContact CG-CG 4.15Å; F848-L855 HydrophobicContact CZ-CD2 4.18Å; P852-L855 PolarHBondContact O-N 3.06Å; P852-L855 VanDerWaalsContact O-N 3.12Å; E853-L855 PolarHBondContact O-N 3.4Å; E853-L855 VanDerWaalsContact O-N 3.1Å; L855-L878 HydrophobicContact CD1-CD1 4.07Å; L855-L878 HydrophobicContact CD1-CD2 4.29Å; L855-L878 HydrophobicContact CD2-CD2 3.78Å; L855-R896 HydrophobicContact CD2-CB 4.21Å
856	H	80.9	Confident	67	Low	59 Å²	59	83.4 Å²	83.4	27%	0.273	45%	0.447	S	S	.	.	S	Bend	trans	-69.2	138.7	175.2	-64.9	171.2	0	0	0	109.7	Q830 E853 P858	Q830-H856 PolarHBondContact NE2-NE2 3.14Å; E853-H856 WeakPolarHBondContact O-CB 3.46Å; E853-H856 PolarHBondContact O-N 3.16Å; H856-P858 WeakPolarHBondContact O-CD 3.43Å
857	V	72	Confident	64.7	Low	52 Å²	52	89.4 Å²	89.4	32%	0.315	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-69.7	121.3	170.6	-178.2	0	0	0	0	106.3	E859 S872	V857-E859 PolarHBondContact O-N 2.97Å; V857-S872 WeakPolarHBondContact CG1-OG 3.42Å
858	P	65.1	Low	62.8	Low	54 Å²	54	93.7 Å²	93.7	35%	0.351	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-57.6	127.1	176.8	-21.4	32.5	0	0	0	109.3	H856 D860	H856-P858 WeakPolarHBondContact O-CD 3.43Å; P858-D860 PolarHBondContact O-N 3.33Å
859	E	57.7	Low	61.2	Low	190 Å²	190	105.6 Å²	105.6	89%	0.888	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-65.6	116.2	171.8	-66	-171.4	162.7	0	0	107.9	V857	V857-E859 PolarHBondContact O-N 2.97Å
860	D	49.1	Very low	60.2	Low	99 Å²	99	109.4 Å²	109.4	53%	0.529	56%	0.56	S	S	.	*	P	Polyproline II helix	trans	-66.3	139.2	164.4	-74.5	-38	0	0	0	107.5	P858	P858-D860 PolarHBondContact O-N 3.33Å
861	E	40.2	Very low	60.1	Low	176 Å²	176	109 Å²	109	82%	0.822	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-48	142.5	178.8	-75.5	-147.6	167.6	0	0	111.1	R863	E861-R863 VanDerWaalsContact C-N 3.34Å; E861-R863 PolarHBondContact O-N 3.19Å
862	P	41.1	Very low	60.3	Low	123 Å²	123	105.9 Å²	105.9	80%	0.799	54%	0.538	S	S	*	.			trans	-63.8	94.2	-172.6	27	-34	0	0	0	109.9	E864	P862-E864 PolarHBondContact O-N 3.26Å
863	R	40.4	Very low	60.3	Low	243 Å²	243	106.7 Å²	106.7	92%	0.917	54%	0.544	S	S	*	.			trans	-66.8	120.4	159	-74.1	-172.9	176.4	-179.9	0.9	106.2	E861 T865	E861-R863 VanDerWaalsContact C-N 3.34Å; E861-R863 PolarHBondContact O-N 3.19Å; R863-T865 PolarHBondContact O-N 3.01Å
864	E	39.5	Very low	60.4	Low	179 Å²	179	106 Å²	106	84%	0.836	54%	0.535	S	S	*	.	S	Bend	trans	-50.3	135.3	-171.3	-65.8	178.3	145.4	0	0	112.5	P862	P862-E864 PolarHBondContact O-N 3.26Å
865	T	40.6	Very low	60.6	Low	147 Å²	147	105.8 Å²	105.8	90%	0.902	53%	0.532	S	S	*	.			trans	63.4	82.7	155.4	54.8	0	0	0	0	119.4	R863	R863-T865 PolarHBondContact O-N 3.01Å
866	G	40.3	Very low	61	Low	66 Å²	66	106.6 Å²	106.6	68%	0.68	54%	0.535	S	S	*	.			trans	-159	151.5	154.3	0	0	0	0	0	111.9	D868	G866-D868 PolarHBondContact O-N 3.44Å
867	P	38.8	Very low	61.6	Low	127 Å²	127	103.8 Å²	103.8	83%	0.825	52%	0.522	S	S	*	.	S	Bend	trans	-81.2	-7.1	-168.6	27.4	-24.5	0	0	0	115.6
868	D	47	Very low	62.7	Low	103 Å²	103	101.4 Å²	101.4	55%	0.551	51%	0.508	S	S	*	.			trans	-102.3	96.9	-171.9	-73.7	-45.8	0	0	0	113.5	G866 R870	G866-D868 PolarHBondContact O-N 3.44Å; D868-R870 PolarHBondContact O-N 3.16Å
869	R	54.8	Low	64.1	Low	253 Å²	253	98.9 Å²	98.9	96%	0.955	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	15.2	168.8	-76	-177.5	169.5	-175.8	-5.5	114.3
870	R	64.9	Low	65.9	Low	111 Å²	111	90.4 Å²	90.4	42%	0.419	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-12.2	-169	-71.1	-178.6	168.8	-154.2	-9	114.6	E820 D868 H875 Q993	E820-R870 IonicContact OE1-CZ 3.73Å; E820-R870 IonicContact OE1-NH1 3.66Å; E820-R870 IonicContact OE1-NH2 3.32Å; E820-R870 PolarHBondContact OE1-NH2 3.42Å; E820-R870 IonicContact OE2-CZ 3.23Å; E820-R870 IonicContact OE2-NE 3.34Å; E820-R870 IonicContact OE2-NH2 2.73Å; E820-R870 PolarHBondContact OE2-NH2 3.15Å; D868-R870 PolarHBondContact O-N 3.16Å; R870-H875 PolarHBondContact O-CE1 3.1Å; R870-H875 VanDerWaalsContact O-CE1 3.26Å; R870-H875 PolarHBondContact O-NE2 2.83Å; R870-H875 VanDerWaalsContact O-NE2 3.11Å; R870-Q993 VanDerWaalsContact NH1-OE1 3.1Å
871	D	76.9	Confident	67.8	Low	42 Å²	42	86.6 Å²	86.6	23%	0.225	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	128.2	-171.7	-63.3	-16.8	0	0	0	111.3	R930 Y990 S991	D871-R930 IonicContact OD2-CZ 3.77Å; D871-R930 IonicContact OD2-NE 3.67Å; D871-R930 PolarHBondContact OD2-NE 3.45Å; D871-R930 IonicContact OD2-NH2 3.02Å; D871-R930 PolarHBondContact OD2-NH2 3.21Å; D871-Y990 WeakPolarHBondContact CA-O 3.46Å; D871-S991 WeakPolarHBondContact OD1-CA 3.31Å; D871-S991 WeakPolarHBondContact OD1-CB 3.48Å; D871-S991 PolarHBondContact OD1-N 2.66Å
872	S	84.7	Confident	70.1	Confident	6 Å²	6	80.4 Å²	80.4	4%	0.042	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	148.3	178.2	-177.6	0	0	0	0	110.3	V857 R874 H875 Y990	V857-S872 WeakPolarHBondContact CG1-OG 3.42Å; S872-R874 VanDerWaalsContact C-N 3.26Å; S872-R874 PolarHBondContact OG-N 3.3Å; S872-H875 PolarHBondContact N-NE2 3.04Å; S872-H875 PolarHBondContact O-CD2 3.32Å; S872-Y990 PolarHBondContact N-O 2.96Å; S872-Y990 VanDerWaalsContact N-O 3.07Å; S872-Y990 WeakPolarHBondContact O-CD1 3.33Å; S872-Y990 WeakPolarHBondContact O-CE1 3.22Å; S872-Y990 PolarHBondContact O-N 2.89Å
873	S	82.6	Confident	72.5	Confident	25 Å²	25	74.9 Å²	74.9	18%	0.175	37%	0.37	C	S	.	.	S	Bend	trans	-80.2	-8.6	169.7	61.4	0	0	0	0	113.5	V988	S873-V988 WeakPolarHBondContact CA-O 3.4Å; S873-V988 WeakPolarHBondContact CB-O 3.23Å
874	R	84.2	Confident	74.9	Confident	125 Å²	125	65 Å²	65	47%	0.472	34%	0.335	S	S	.	.			trans	-117.4	19.8	-166.8	-60.4	-172.7	179.1	-166.5	0.9	114.4	S872 Q876	S872-R874 VanDerWaalsContact C-N 3.26Å; S872-R874 PolarHBondContact OG-N 3.3Å; R874-Q876 WeakPolarHBondContact O-CG 3.36Å; R874-Q876 PolarHBondContact O-N 3.43Å
875	H	88.6	Confident	77.4	Confident	24 Å²	24	58.2 Å²	58.2	11%	0.111	30%	0.303	C	S	.	.			trans	-54.7	137.3	174.5	-68	-68.3	0	0	0	111.5	R870 S872 A899 Y990 L992	R870-H875 PolarHBondContact O-CE1 3.1Å; R870-H875 VanDerWaalsContact O-CE1 3.26Å; R870-H875 PolarHBondContact O-NE2 2.83Å; R870-H875 VanDerWaalsContact O-NE2 3.11Å; S872-H875 PolarHBondContact N-NE2 3.04Å; S872-H875 PolarHBondContact O-CD2 3.32Å; H875-A899 HydrophobicContact CB-CB 4.04Å; H875-A899 WeakPolarHBondContact O-CB 3.17Å; H875-A899 PolarHBondContact O-N 3.48Å; H875-Y990 HydrophobicContact CB-CE2 3.93Å; H875-Y990 WeakPolarHBondContact CB-OH 3.47Å; H875-Y990 AromaticContact CD2-CD2 3.86Å; H875-Y990 AromaticContact CD2-CE2 3.56Å; H875-Y990 AromaticContact CD2-CZ 3.8Å; H875-Y990 PolarHBondContact CD2-O 3.36Å; H875-Y990 VanDerWaalsContact CD2-O 3.26Å; H875-Y990 PolarHBondContact NE2-O 2.89Å; H875-L992 HydrophobicContact CB-CB 4.44Å; H875-L992 HydrophobicContact CB-CD2 3.95Å
876	Q	90.7	Very high	79.5	Confident	34 Å²	34	54.1 Å²	54.1	16%	0.159	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	143.3	-177.9	-57.4	-177	17.1	0	0	111	P818 R874 R896 V897	P818-Q876 WeakPolarHBondContact CD-O 3.37Å; R874-Q876 WeakPolarHBondContact O-CG 3.36Å; R874-Q876 PolarHBondContact O-N 3.43Å; Q876-R896 VanDerWaalsContact NE2-NH1 3.18Å; Q876-R896 VanDerWaalsContact OE1-NH1 3.11Å; Q876-V897 WeakPolarHBondContact CA-O 3.35Å
877	L	94.1	Very high	81.5	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	156.9	169.7	-65	173.8	0	0	0	109.8	L815 L817 R896 V897 A899 L903 L925 L992	L815-L877 HydrophobicContact CD1-CD1 4.16Å; L817-L877 HydrophobicContact CB-CD2 4.15Å; L817-L877 HydrophobicContact CD1-CD2 3.66Å; L877-R896 CarbonylContact O-C 3.43Å; L877-R896 WeakPolarHBondContact O-CA 3.49Å; L877-V897 HydrophobicContact CB-CG2 3.97Å; L877-V897 PolarHBondContact N-O 3.38Å; L877-V897 PolarHBondContact O-N 3.12Å; L877-A899 HydrophobicContact CD1-CB 3.9Å; L877-A899 HydrophobicContact CG-CB 3.7Å; L877-L903 HydrophobicContact CD1-CD1 3.81Å; L877-L903 HydrophobicContact CD1-CD2 3.89Å; L877-L903 HydrophobicContact CD1-CG 3.8Å; L877-L925 HydrophobicContact CD1-CD1 4.43Å; L877-L992 HydrophobicContact CD2-CD2 4.08Å
878	L	95.1	Very high	83.8	Confident	3 Å²	3	55 Å²	55	2%	0.016	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	117.2	170.2	-63	-174.5	0	0	0	110	L815 A816 F832 M842 F848 L855 V895 R896	L815-L878 CarbonylContact C-O 3.56Å; L815-L878 WeakPolarHBondContact CA-O 3.44Å; A816-L878 HydrophobicContact CB-CB 4.34Å; A816-L878 PolarHBondContact N-O 3.28Å; A816-L878 PolarHBondContact O-N 3.12Å; F832-L878 HydrophobicContact CD1-CD1 3.67Å; F832-L878 HydrophobicContact CD1-CG 4.31Å; F832-L878 HydrophobicContact CE1-CD1 3.38Å; F832-L878 HydrophobicContact CE1-CG 4.1Å; F832-L878 HydrophobicContact CG-CD1 4.38Å; F832-L878 HydrophobicContact CZ-CD1 3.89Å; M842-L878 HydrophobicContact CE-CD1 4.28Å; M842-L878 HydrophobicContact SD-CD1 3.59Å; M842-L878 VanDerWaalsContact SD-CD1 3.59Å; F848-L878 HydrophobicContact CD2-CD2 4.23Å; F848-L878 HydrophobicContact CE2-CD2 3.88Å; F848-L878 HydrophobicContact CZ-CD2 4.45Å; L855-L878 HydrophobicContact CD1-CD1 4.07Å; L855-L878 HydrophobicContact CD1-CD2 4.29Å; L855-L878 HydrophobicContact CD2-CD2 3.78Å; L878-V895 WeakPolarHBondContact CA-O 3.29Å; L878-R896 HydrophobicContact CD2-CB 3.96Å
879	A	95.4	Very high	85.9	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	131.9	162.6	0	0	0	0	0	108.8	L811 Q814 L815 C894 V895	L811-A879 HydrophobicContact CB-CB 4.22Å; L811-A879 HydrophobicContact CD1-CB 3.75Å; Q814-A879 WeakPolarHBondContact O-CA 3.37Å; L815-A879 HydrophobicContact CD2-CB 3.8Å; A879-C894 CarbonylContact O-C 3.5Å; A879-C894 VanDerWaalsContact O-CA 3.3Å; A879-C894 WeakPolarHBondContact O-CA 3.08Å; A879-V895 PolarHBondContact N-O 2.91Å; A879-V895 PolarHBondContact O-N 3.49Å
880	F	94.1	Very high	87.7	Confident	13 Å²	13	40.2 Å²	40.2	6%	0.057	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	153.4	-174	66.1	-91.2	0	0	0	111.6	L811 Q814 A816 T834 L883 L891	L811-F880 WeakPolarHBondContact CD2-O 3.38Å; Q814-F880 VanDerWaalsContact C-CE1 3.44Å; Q814-F880 HydrophobicContact CB-CD1 4.3Å; Q814-F880 HydrophobicContact CB-CD2 4.24Å; Q814-F880 HydrophobicContact CB-CE1 4.04Å; Q814-F880 HydrophobicContact CB-CE2 3.96Å; Q814-F880 HydrophobicContact CB-CG 4.4Å; Q814-F880 HydrophobicContact CB-CZ 3.86Å; Q814-F880 VanDerWaalsContact CB-O 3.31Å; Q814-F880 WeakPolarHBondContact CB-O 3.23Å; Q814-F880 HydrophobicContact CG-CE2 4.34Å; Q814-F880 HydrophobicContact CG-CZ 4.43Å; Q814-F880 WeakPolarHBondContact O-CD1 3.48Å; Q814-F880 PolarHBondContact O-N 3.31Å; Q814-F880 PolarHBondContact OE1-O 3.35Å; A816-F880 HydrophobicContact CB-CD1 4.19Å; A816-F880 HydrophobicContact CB-CE1 4.27Å; T834-F880 HydrophobicContact CG2-CE1 3.73Å; T834-F880 HydrophobicContact CG2-CZ 3.86Å; F880-L883 HydrophobicContact CE2-CB 4Å; F880-L891 HydrophobicContact CB-CD2 4.14Å; F880-L891 HydrophobicContact CD1-CD2 3.63Å; F880-L891 HydrophobicContact CD2-CD2 3.92Å; F880-L891 HydrophobicContact CE1-CD2 3.92Å; F880-L891 HydrophobicContact CE2-CD2 4.22Å; F880-L891 HydrophobicContact CG-CD2 3.62Å; F880-L891 HydrophobicContact CZ-CD2 4.21Å
881	V	90.6	Very high	89.1	Confident	19 Å²	19	34.9 Å²	34.9	12%	0.115	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	-43.5	-179.9	-174.5	0	0	0	0	111.6	L608 L811 Q814 S892 N893	L608-V881 HydrophobicContact CD1-CG2 4.01Å; L608-V881 HydrophobicContact CD2-CG2 4.15Å; L811-V881 HydrophobicContact CD2-CB 4.12Å; L811-V881 HydrophobicContact CD2-CG2 3.63Å; Q814-V881 PolarHBondContact OE1-O 3.01Å; V881-S892 PolarHBondContact N-O 3.37Å; V881-N893 HydrophobicContact CB-CB 3.98Å; V881-N893 HydrophobicContact CG2-CB 3.62Å
882	T	88.1	Confident	89.7	Confident	46 Å²	46	33.6 Å²	33.6	28%	0.282	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	137.7	-173.3	55.8	0	0	0	0	111.6	S892	T882-S892 PolarHBondContact O-N 3.22Å; T882-S892 VanDerWaalsContact O-N 3.1Å
883	L	91.8	Very high	90	Very high	6 Å²	6	35.5 Å²	35.5	3%	0.031	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	117	167.6	-173	67.9	0	0	0	108.5	M468 Q469 K837 V840 F880 Y890 L891	M468-L883 HydrophobicContact CB-CD2 3.91Å; M468-L883 HydrophobicContact CB-CG 4.25Å; M468-L883 HydrophobicContact CG-CB 4.22Å; M468-L883 HydrophobicContact CG-CD2 3.82Å; M468-L883 HydrophobicContact CG-CG 3.71Å; M468-L883 HydrophobicContact SD-CD2 3.62Å; M468-L883 HydrophobicContact SD-CG 3.72Å; Q469-L883 PolarHBondContact N-O 2.81Å; K837-L883 HydrophobicContact CB-CD2 4.28Å; V840-L883 HydrophobicContact CB-CD1 4.16Å; V840-L883 HydrophobicContact CG1-CD1 3.93Å; V840-L883 HydrophobicContact CG2-CD1 4.49Å; F880-L883 HydrophobicContact CE2-CB 4Å; L883-Y890 WeakPolarHBondContact CA-O 3Å; L883-L891 HydrophobicContact CD1-CD2 3.77Å; L883-L891 HydrophobicContact CD1-CG 4.4Å
884	L	90.9	Very high	90.6	Very high	36 Å²	36	34.3 Å²	34.3	19%	0.188	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	118.4	-174.9	176.6	67.4	0	0	0	110.7	M460 Q469 T886 Y890	M460-L884 HydrophobicContact CE-CD1 3.8Å; M460-L884 HydrophobicContact SD-CD1 4.35Å; Q469-L884 HydrophobicContact CB-CD1 4.17Å; Q469-L884 CarbonylContact O-C 3.41Å; Q469-L884 WeakPolarHBondContact O-CA 3.49Å; L884-T886 HydrophobicContact CD2-CG2 4.2Å; L884-T886 HydrophobicContact CG-CG2 4.16Å; L884-Y890 PolarHBondContact N-O 3.41Å; L884-Y890 WeakPolarHBondContact O-CB 3.34Å; L884-Y890 PolarHBondContact O-N 2.95Å
885	E	90.6	Very high	91.1	Very high	36 Å²	36	28.4 Å²	28.4	17%	0.168	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	125.1	172.1	-169.1	167.6	-140.6	0	0	110.3	M468 Q469 R470 L471 K837 K888 P889	M468-E885 HydrophobicContact CE-CB 4.03Å; M468-E885 HydrophobicContact CE-CG 4.44Å; M468-E885 WeakPolarHBondContact CE-OE2 3.3Å; M468-E885 HydrophobicContact CG-CB 4.29Å; M468-E885 HydrophobicContact SD-CB 3.84Å; Q469-E885 PolarHBondContact O-N 3.48Å; R470-E885 CarbonylContact C-O 3.59Å; R470-E885 WeakPolarHBondContact CA-O 3.42Å; R470-E885 HydrophobicContact CB-CB 4.33Å; R470-E885 WeakPolarHBondContact CD-OE2 3.27Å; R470-E885 HydrophobicContact CG-CB 4.04Å; R470-E885 WeakPolarHBondContact CG-OE2 3.34Å; R470-E885 IonicContact CZ-OE2 2.99Å; R470-E885 IonicContact NE-OE2 3.9Å; R470-E885 PolarHBondContact NE-OE2 3.14Å; R470-E885 IonicContact NH2-OE2 3.63Å; L471-E885 PolarHBondContact N-O 2.87Å; K837-E885 IonicContact NZ-OE1 3.34Å; E885-K888 WeakPolarHBondContact CA-O 3.33Å; E885-P889 HydrophobicContact CG-CB 4.47Å
886	T	85.4	Confident	91.3	Very high	61 Å²	61	29 Å²	29	37%	0.374	15%	0.15	S	C	.	.	S	Bend	trans	-117.6	-84.8	170.5	56.7	0	0	0	0	108.9	L471 L884 K888 Y890	L471-T886 HydrophobicContact CB-CG2 4.14Å; L471-T886 HydrophobicContact CD2-CG2 4.3Å; L884-T886 HydrophobicContact CD2-CG2 4.2Å; L884-T886 HydrophobicContact CG-CG2 4.16Å; T886-K888 PolarHBondContact N-O 3.5Å; T886-K888 VanDerWaalsContact N-O 3.13Å; T886-Y890 WeakPolarHBondContact OG1-CE2 3.48Å
887	N	81.9	Confident	91.4	Very high	123 Å²	123	27.6 Å²	27.6	66%	0.658	14%	0.143	S	C	*	.	S	Bend	trans	-94.3	-34.5	164	60.6	-19.3	0	0	0	112	Y890	N887-Y890 VanDerWaalsContact OD1-CE2 3.29Å; N887-Y890 WeakPolarHBondContact OD1-CE2 3.05Å; N887-Y890 PolarHBondContact OD1-OH 2.77Å
888	K	87.3	Confident	91.4	Very high	89 Å²	89	29.3 Å²	29.3	39%	0.387	15%	0.154	S	C	.	.	S	Bend	trans	-126.6	158	172.9	-63.2	-177.5	-179.7	-177.9	0	109	D829 V841 E885 T886 Y890	D829-K888 IonicContact OD1-NZ 3.39Å; V841-K888 HydrophobicContact CG2-CB 4.02Å; V841-K888 HydrophobicContact CG2-CD 4.28Å; E885-K888 WeakPolarHBondContact CA-O 3.33Å; T886-K888 PolarHBondContact N-O 3.5Å; T886-K888 VanDerWaalsContact N-O 3.13Å; K888-Y890 HydrophobicContact CB-CE2 4.01Å; K888-Y890 WeakPolarHBondContact O-CD2 3.46Å; K888-Y890 VanDerWaalsContact O-CE2 3.27Å; K888-Y890 WeakPolarHBondContact O-CE2 3.39Å
889	P	91.4	Very high	91.2	Very high	14 Å²	14	29.2 Å²	29.2	9%	0.091	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	120.6	171.8	29	-31.4	0	0	0	110.9	M468 V840 V841 E885	M468-P889 HydrophobicContact SD-CB 3.88Å; V840-P889 WeakPolarHBondContact CA-O 3.41Å; V840-P889 HydrophobicContact CB-CB 4.38Å; V840-P889 HydrophobicContact CB-CG 4.38Å; V840-P889 HydrophobicContact CG1-CB 3.94Å; V840-P889 HydrophobicContact CG1-CG 4.01Å; V841-P889 WeakPolarHBondContact CG2-O 3.47Å; V841-P889 PolarHBondContact N-O 3.11Å; E885-P889 HydrophobicContact CG-CB 4.47Å
890	Y	92.6	Very high	91.1	Very high	31 Å²	31	29.2 Å²	29.2	12%	0.122	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	133.2	-175.1	-67.4	-77.3	0	0	0	113	V841 M842 H843 L883 L884 T886 N887 K888	V841-Y890 HydrophobicContact CG2-CD1 3.47Å; V841-Y890 VanDerWaalsContact CG2-CD1 3.47Å; V841-Y890 HydrophobicContact CG2-CE1 3.42Å; V841-Y890 VanDerWaalsContact CG2-CE1 3.42Å; V841-Y890 HydrophobicContact CG2-CG 4.28Å; V841-Y890 CarbonylContact O-C 3.54Å; V841-Y890 VanDerWaalsContact O-CA 3.23Å; V841-Y890 WeakPolarHBondContact O-CA 3.49Å; M842-Y890 WeakPolarHBondContact O-CD1 3.34Å; H843-Y890 HydrophobicContact CB-CD1 4.42Å; L883-Y890 WeakPolarHBondContact CA-O 3Å; L884-Y890 PolarHBondContact N-O 3.41Å; L884-Y890 WeakPolarHBondContact O-CB 3.34Å; L884-Y890 PolarHBondContact O-N 2.95Å; T886-Y890 WeakPolarHBondContact OG1-CE2 3.48Å; N887-Y890 VanDerWaalsContact OD1-CE2 3.29Å; N887-Y890 WeakPolarHBondContact OD1-CE2 3.05Å; N887-Y890 PolarHBondContact OD1-OH 2.77Å; K888-Y890 HydrophobicContact CB-CE2 4.01Å; K888-Y890 WeakPolarHBondContact O-CD2 3.46Å; K888-Y890 VanDerWaalsContact O-CE2 3.27Å; K888-Y890 WeakPolarHBondContact O-CE2 3.39Å
891	L	93.1	Very high	91.1	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	130.5	164.4	-65.5	173.7	0	0	0	110	A816 F832 T834 V840 V841 M842 H843 F880 L883	A816-L891 HydrophobicContact CB-CD1 3.6Å; A816-L891 HydrophobicContact CB-CD2 4.26Å; F832-L891 HydrophobicContact CB-CD1 3.74Å; F832-L891 HydrophobicContact CD2-CD1 4.27Å; F832-L891 HydrophobicContact CG-CD1 3.97Å; T834-L891 HydrophobicContact CG2-CD2 4.3Å; V840-L891 HydrophobicContact CB-CG 4.43Å; V840-L891 HydrophobicContact CG2-CD1 3.72Å; V840-L891 HydrophobicContact CG2-CD2 3.99Å; V840-L891 HydrophobicContact CG2-CG 3.65Å; V841-L891 PolarHBondContact O-N 3.27Å; M842-L891 HydrophobicContact CE-CB 4.48Å; M842-L891 HydrophobicContact SD-CB 3.97Å; M842-L891 HydrophobicContact SD-CD1 4.03Å; H843-L891 VanDerWaalsContact CB-O 3.23Å; H843-L891 WeakPolarHBondContact CB-O 3.41Å; H843-L891 PolarHBondContact N-O 3.02Å; F880-L891 HydrophobicContact CB-CD2 4.14Å; F880-L891 HydrophobicContact CD1-CD2 3.63Å; F880-L891 HydrophobicContact CD2-CD2 3.92Å; F880-L891 HydrophobicContact CE1-CD2 3.92Å; F880-L891 HydrophobicContact CE2-CD2 4.22Å; F880-L891 HydrophobicContact CG-CD2 3.62Å; F880-L891 HydrophobicContact CZ-CD2 4.21Å; L883-L891 HydrophobicContact CD1-CD2 3.77Å; L883-L891 HydrophobicContact CD1-CG 4.4Å
892	S	90.6	Very high	91.2	Very high	14 Å²	14	28.2 Å²	28.2	10%	0.098	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	146.7	179.3	-55.5	0	0	0	0	111.7	H843 V881 T882	H843-S892 WeakPolarHBondContact CB-OG 3.31Å; V881-S892 PolarHBondContact N-O 3.37Å; T882-S892 PolarHBondContact O-N 3.22Å; T882-S892 VanDerWaalsContact O-N 3.1Å
893	N	91.5	Very high	91.5	Very high	47 Å²	47	26 Å²	26	25%	0.251	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	58.9	61.9	-178.6	-58.1	-49	0	0	0	112.3	L608 D637 V881	L608-N893 HydrophobicContact CD2-CB 3.85Å; D637-N893 VanDerWaalsContact OD2-CA 3.22Å; D637-N893 WeakPolarHBondContact OD2-CA 3.41Å; D637-N893 PolarHBondContact OD2-N 3Å; V881-N893 HydrophobicContact CB-CB 3.98Å; V881-N893 HydrophobicContact CG2-CB 3.62Å
894	C	94.1	Very high	91.6	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	147.5	-172.4	-62	0	0	0	0	112.5	G636 D637 P638 M842 F848 A879	G636-C894 CarbonylContact C-O 3.44Å; G636-C894 VanDerWaalsContact CA-O 3.29Å; G636-C894 WeakPolarHBondContact CA-O 3.13Å; D637-C894 PolarHBondContact N-O 3.42Å; D637-C894 PolarHBondContact OD2-N 3.2Å; P638-C894 WeakPolarHBondContact CD-O 3.34Å; M842-C894 HydrophobicContact CE-CB 3.86Å; M842-C894 VanDerWaalsContact CE-SG 3.55Å; F848-C894 HydrophobicContact CD2-CB 3.97Å; F848-C894 HydrophobicContact CE2-CB 3.84Å; A879-C894 CarbonylContact O-C 3.5Å; A879-C894 VanDerWaalsContact O-CA 3.3Å; A879-C894 WeakPolarHBondContact O-CA 3.08Å
895	V	94.8	Very high	91.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	131.9	170.3	180	0	0	0	0	107.9	P638 F639 K804 L807 L878 A879 V897	P638-V895 HydrophobicContact CB-CG2 4.11Å; P638-V895 HydrophobicContact CG-CG2 3.45Å; P638-V895 VanDerWaalsContact CG-CG2 3.45Å; F639-V895 HydrophobicContact CE2-CG1 4.11Å; K804-V895 HydrophobicContact CG-CG1 4.12Å; L807-V895 HydrophobicContact CD1-CG2 4.11Å; L878-V895 WeakPolarHBondContact CA-O 3.29Å; A879-V895 PolarHBondContact N-O 2.91Å; A879-V895 PolarHBondContact O-N 3.49Å; V895-V897 HydrophobicContact CG1-CG1 4.28Å
896	R	93.3	Very high	91.8	Very high	38 Å²	38	23 Å²	23	14%	0.143	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	138.1	173.9	72.5	-172.4	-173.8	127.3	-9.4	111	N634 Q635 K804 F848 L855 Q876 L877 L878	N634-R896 WeakPolarHBondContact O-CD 3.32Å; N634-R896 PolarHBondContact O-NE 3.23Å; Q635-R896 VanDerWaalsContact NE2-NH2 3.15Å; Q635-R896 PolarHBondContact O-N 3.26Å; K804-R896 WeakPolarHBondContact CD-O 2.96Å; F848-R896 HydrophobicContact CZ-CB 3.98Å; F848-R896 HydrophobicContact CZ-CG 4.22Å; L855-R896 HydrophobicContact CD2-CB 4.21Å; Q876-R896 VanDerWaalsContact NE2-NH1 3.18Å; Q876-R896 VanDerWaalsContact OE1-NH1 3.11Å; L877-R896 CarbonylContact O-C 3.43Å; L877-R896 WeakPolarHBondContact O-CA 3.49Å; L878-R896 HydrophobicContact CD2-CB 3.96Å
897	V	93.4	Very high	92.2	Very high	4 Å²	4	20.1 Å²	20.1	2%	0.024	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	145.4	-178.4	-61.7	0	0	0	0	110.5	C808 Q876 L877 V895 A899 A902	C808-V897 HydrophobicContact CB-CG1 3.96Å; Q876-V897 WeakPolarHBondContact CA-O 3.35Å; L877-V897 HydrophobicContact CB-CG2 3.97Å; L877-V897 PolarHBondContact N-O 3.38Å; L877-V897 PolarHBondContact O-N 3.12Å; V895-V897 HydrophobicContact CG1-CG1 4.28Å; V897-A899 PolarHBondContact O-N 3.28Å; V897-A902 HydrophobicContact CB-CB 4.21Å; V897-A902 HydrophobicContact CG2-CB 4.14Å
898	P	92.8	Very high	92.5	Very high	36 Å²	36	16.9 Å²	16.9	23%	0.234	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	128.6	176	30.3	-35.3	0	0	0	109.8	Q901 A902 L983	P898-Q901 HydrophobicContact CG-CB 4.39Å; P898-A902 WeakPolarHBondContact O-CB 3.31Å; P898-A902 PolarHBondContact O-N 3Å; P898-L983 HydrophobicContact CG-CD2 4.2Å
899	A	92.6	Very high	92.7	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-66.3	-63.1	-163.9	0	0	0	0	0	112.9	H875 L877 V897 Q901 A902 L903 Y990 L992	H875-A899 HydrophobicContact CB-CB 4.04Å; H875-A899 WeakPolarHBondContact O-CB 3.17Å; H875-A899 PolarHBondContact O-N 3.48Å; L877-A899 HydrophobicContact CD1-CB 3.9Å; L877-A899 HydrophobicContact CG-CB 3.7Å; V897-A899 PolarHBondContact O-N 3.28Å; A899-Q901 PolarHBondContact O-N 3.22Å; A899-A902 PolarHBondContact O-N 3.21Å; A899-L903 WeakPolarHBondContact O-CB 3.33Å; A899-L903 WeakPolarHBondContact O-CG 3.39Å; A899-L903 PolarHBondContact O-N 2.89Å; A899-Y990 HydrophobicContact CB-CE2 4.41Å; A899-Y990 WeakPolarHBondContact CB-OH 3.44Å; A899-L992 HydrophobicContact CB-CD2 3.66Å
900	L	93.1	Very high	92.8	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-55.2	-52.5	-177.6	177.9	65.1	0	0	0	112.1	A902 L903 L904 L919 L927 V938 V988 Y990	L900-A902 PolarHBondContact O-N 2.96Å; L900-L903 PolarHBondContact O-N 2.83Å; L900-L904 HydrophobicContact CD1-CD1 3.8Å; L900-L904 HydrophobicContact CD1-CG 4.23Å; L900-L904 HydrophobicContact CG-CD1 4.15Å; L900-L904 WeakPolarHBondContact O-CG 3.45Å; L900-L904 PolarHBondContact O-N 2.61Å; L900-L904 VanDerWaalsContact O-N 3.08Å; L900-L919 HydrophobicContact CD1-CD1 4.43Å; L900-L927 HydrophobicContact CD1-CD1 3.97Å; L900-L927 HydrophobicContact CD1-CD2 4.42Å; L900-V938 HydrophobicContact CD2-CG1 4.26Å; L900-V938 HydrophobicContact CG-CG1 4.47Å; L900-V988 HydrophobicContact CD2-CB 4.27Å; L900-V988 HydrophobicContact CD2-CG1 4.38Å; L900-Y990 HydrophobicContact CB-CD1 4.2Å; L900-Y990 HydrophobicContact CB-CD2 4.43Å; L900-Y990 HydrophobicContact CB-CE1 3.61Å; L900-Y990 HydrophobicContact CB-CE2 3.85Å; L900-Y990 WeakPolarHBondContact CB-OH 3.26Å; L900-Y990 HydrophobicContact CD2-CD1 3.8Å; L900-Y990 HydrophobicContact CD2-CE1 3.89Å; L900-Y990 HydrophobicContact CD2-CG 4.35Å; L900-Y990 HydrophobicContact CG-CE1 4.38Å; L900-Y990 PolarHBondContact N-OH 3.13Å
901	Q	93.1	Very high	92.8	Very high	8 Å²	8	11.9 Å²	11.9	4%	0.037	7%	0.066	C	C	.	.	H	α-helix	trans	-66.5	-40.4	-174.7	-58.6	82.3	-12.1	0	0	111.5	P898 A899 L905 F982 L983 T986	P898-Q901 HydrophobicContact CG-CB 4.39Å; A899-Q901 PolarHBondContact O-N 3.22Å; Q901-L905 VanDerWaalsContact O-CG 3.32Å; Q901-L905 WeakPolarHBondContact O-CG 3.13Å; Q901-F982 HydrophobicContact CB-CD1 4.08Å; Q901-F982 HydrophobicContact CB-CE1 3.71Å; Q901-F982 HydrophobicContact CB-CZ 4.49Å; Q901-F982 HydrophobicContact CG-CD1 4.36Å; Q901-F982 HydrophobicContact CG-CE1 4.08Å; Q901-L983 HydrophobicContact CB-CD2 3.94Å; Q901-T986 PolarHBondContact NE2-O 3.43Å
902	A	93.5	Very high	92.7	Very high	3 Å²	3	11.9 Å²	11.9	3%	0.025	7%	0.066	C	C	.	.	H	α-helix	trans	-68.1	-50.2	177	0	0	0	0	0	111	V897 P898 A899 L900 L904 L905 V906	V897-A902 HydrophobicContact CB-CB 4.21Å; V897-A902 HydrophobicContact CG2-CB 4.14Å; P898-A902 WeakPolarHBondContact O-CB 3.31Å; P898-A902 PolarHBondContact O-N 3Å; A899-A902 PolarHBondContact O-N 3.21Å; L900-A902 PolarHBondContact O-N 2.96Å; A902-L904 PolarHBondContact O-N 3.49Å; A902-L905 PolarHBondContact O-N 2.95Å; A902-L905 VanDerWaalsContact O-N 3.1Å; A902-V906 VanDerWaalsContact O-CG2 3.29Å; A902-V906 WeakPolarHBondContact O-CG2 3.47Å; A902-V906 PolarHBondContact O-N 3Å
903	L	94.3	Very high	92.6	Very high	1 Å²	1	11.2 Å²	11.2	1%	0.005	6%	0.062	C	C	.	.	H	α-helix	trans	-57	-47.2	-177.1	-72.1	172.9	0	0	0	111.7	L815 L877 A899 L900 L905 V906 A907 V921 L925 L927	L815-L903 HydrophobicContact CD1-CD2 3.59Å; L877-L903 HydrophobicContact CD1-CD1 3.81Å; L877-L903 HydrophobicContact CD1-CD2 3.89Å; L877-L903 HydrophobicContact CD1-CG 3.8Å; A899-L903 WeakPolarHBondContact O-CB 3.33Å; A899-L903 WeakPolarHBondContact O-CG 3.39Å; A899-L903 PolarHBondContact O-N 2.89Å; L900-L903 PolarHBondContact O-N 2.83Å; L903-L905 PolarHBondContact O-N 2.83Å; L903-V906 PolarHBondContact O-N 3.39Å; L903-A907 WeakPolarHBondContact O-CB 3.39Å; L903-A907 PolarHBondContact O-N 2.97Å; L903-V921 HydrophobicContact CB-CG1 4.33Å; L903-V921 HydrophobicContact CB-CG2 4.35Å; L903-V921 HydrophobicContact CD1-CG2 4.4Å; L903-V921 HydrophobicContact CD2-CG1 3.99Å; L903-L925 HydrophobicContact CD1-CD1 3.97Å; L903-L925 HydrophobicContact CD2-CD1 4.01Å; L903-L927 HydrophobicContact CD1-CD1 3.9Å; L903-L927 HydrophobicContact CD1-CD2 4.39Å; L903-L927 HydrophobicContact CD1-CG 4.43Å
904	L	93.6	Very high	92.1	Very high	6 Å²	6	9.2 Å²	9.2	3%	0.031	5%	0.052	C	C	.	.	H	α-helix	trans	-61.9	-30.9	179.7	-68.7	177.4	0	0	0	113.5	L900 A902 V910 L919 V938 L939 A942 F982	L900-L904 HydrophobicContact CD1-CD1 3.8Å; L900-L904 HydrophobicContact CD1-CG 4.23Å; L900-L904 HydrophobicContact CG-CD1 4.15Å; L900-L904 WeakPolarHBondContact O-CG 3.45Å; L900-L904 PolarHBondContact O-N 2.61Å; L900-L904 VanDerWaalsContact O-N 3.08Å; A902-L904 PolarHBondContact O-N 3.49Å; L904-V910 HydrophobicContact CD2-CG1 4.13Å; L904-V910 HydrophobicContact CD2-CG2 4.48Å; L904-L919 HydrophobicContact CD2-CD1 4.24Å; L904-V938 HydrophobicContact CD1-CG1 3.58Å; L904-L939 HydrophobicContact CD2-CD1 4.11Å; L904-A942 HydrophobicContact CB-CB 3.73Å; L904-A942 HydrophobicContact CD1-CB 4.2Å; L904-F982 HydrophobicContact CD1-CZ 4.34Å
905	L	93.4	Very high	91.5	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-85.4	-29.2	-179.4	-69.4	176.1	0	0	0	114.1	L805 Q901 A902 L903 L945 L979 F982 L983	L805-L905 HydrophobicContact CD1-CB 4.09Å; L805-L905 HydrophobicContact CD1-CD1 3.84Å; L805-L905 HydrophobicContact CD2-CD1 3.86Å; Q901-L905 VanDerWaalsContact O-CG 3.32Å; Q901-L905 WeakPolarHBondContact O-CG 3.13Å; A902-L905 PolarHBondContact O-N 2.95Å; A902-L905 VanDerWaalsContact O-N 3.1Å; L903-L905 PolarHBondContact O-N 2.83Å; L905-L945 HydrophobicContact CD2-CB 4.11Å; L905-L979 HydrophobicContact CD1-CD2 3.9Å; L905-L979 HydrophobicContact CD2-CD2 4.03Å; L905-F982 HydrophobicContact CD1-CD1 3.77Å; L905-F982 HydrophobicContact CD1-CE1 3.98Å; L905-F982 HydrophobicContact CD2-CD1 4.44Å; L905-F982 HydrophobicContact CD2-CE1 4.35Å; L905-F982 HydrophobicContact CG-CD1 4.16Å; L905-F982 HydrophobicContact CG-CE1 3.92Å; L905-L983 HydrophobicContact CD1-CD2 4.38Å
906	V	92.5	Very high	91.1	Very high	9 Å²	9	10.8 Å²	10.8	6%	0.055	6%	0.06	C	C	.	.	H	α-helix	trans	-117.7	-11.6	-171.6	-52.5	0	0	0	0	115.4	L805 R809 Y812 A902 L903	L805-V906 HydrophobicContact CD1-CG1 3.95Å; R809-V906 HydrophobicContact CB-CG1 3.78Å; R809-V906 HydrophobicContact CG-CG1 4.18Å; Y812-V906 WeakPolarHBondContact CD1-O 3.29Å; Y812-V906 HydrophobicContact CD2-CB 4.25Å; Y812-V906 HydrophobicContact CD2-CG2 3.32Å; Y812-V906 HydrophobicContact CE2-CG2 3.8Å; Y812-V906 HydrophobicContact CG-CB 4.3Å; Y812-V906 HydrophobicContact CG-CG2 3.84Å; A902-V906 VanDerWaalsContact O-CG2 3.29Å; A902-V906 WeakPolarHBondContact O-CG2 3.47Å; A902-V906 PolarHBondContact O-N 3Å; L903-V906 PolarHBondContact O-N 3.39Å
907	A	92.4	Very high	90.9	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.059	C	C	.	.			trans	-60.7	148.9	-173.9	0	0	0	0	0	114.5	Y812 L903 V910 V921 R946	Y812-A907 WeakPolarHBondContact OH-CA 3.29Å; L903-A907 WeakPolarHBondContact O-CB 3.39Å; L903-A907 PolarHBondContact O-N 2.97Å; A907-V910 HydrophobicContact CB-CG2 3.86Å; A907-V921 HydrophobicContact CB-CG1 3.38Å; A907-R946 PolarHBondContact O-NH1 2.81Å; A907-R946 PolarHBondContact O-NH2 3.39Å
908	N	89.7	Confident	90.8	Very high	55 Å²	55	12 Å²	12	29%	0.294	7%	0.067	S	C	.	.	S	Bend	trans	-77	-35.7	175.9	-71	-29.5	0	0	0	111.3	Y812 D922 F1044	Y812-N908 HydrophobicContact CE1-CB 4.36Å; N908-D922 WeakPolarHBondContact CA-OD1 3.47Å; N908-D922 WeakPolarHBondContact CB-OD1 3.45Å; N908-D922 PolarHBondContact N-OD1 3.24Å; N908-F1044 WeakPolarHBondContact O-CA 3.4Å; N908-F1044 WeakPolarHBondContact O-CB 3.43Å
909	S	90.8	Very high	90.8	Very high	26 Å²	26	10.4 Å²	10.4	18%	0.182	6%	0.056	C	C	.	.			trans	-143.2	135.7	173.2	63.4	0	0	0	0	112	V921 D922 F1044	S909-V921 WeakPolarHBondContact O-CA 3.5Å; S909-D922 PolarHBondContact N-OD1 3.49Å; S909-D922 PolarHBondContact O-N 3.32Å; S909-D922 WeakPolarHBondContact OG-CA 3.37Å; S909-F1044 CarbonylContact C-O 3.53Å; S909-F1044 VanDerWaalsContact CA-O 3.25Å; S909-F1044 WeakPolarHBondContact CA-O 3.31Å
910	V	93.5	Very high	90.9	Very high	2 Å²	2	10.4 Å²	10.4	1%	0.012	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	117.6	171.5	-177.4	0	0	0	0	107.1	L904 A907 F1044 F1045 T1046	L904-V910 HydrophobicContact CD2-CG1 4.13Å; L904-V910 HydrophobicContact CD2-CG2 4.48Å; A907-V910 HydrophobicContact CB-CG2 3.86Å; V910-F1044 PolarHBondContact N-O 3.16Å; V910-F1045 HydrophobicContact CB-CD2 4.33Å; V910-F1045 HydrophobicContact CG1-CD2 4.38Å; V910-F1045 WeakPolarHBondContact O-CA 3.44Å; V910-T1046 PolarHBondContact O-N 3.38Å
911	D	92.9	Very high	91	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	136.4	-177.3	-62.9	-37.7	0	0	0	109.2	L919 V920 Y1004 K1036 T1046 C1049 L1050	D911-L919 CarbonylContact O-C 3.59Å; D911-L919 WeakPolarHBondContact O-CA 3.34Å; D911-V920 HydrophobicContact CB-CB 4.35Å; D911-V920 PolarHBondContact N-O 2.99Å; D911-V920 PolarHBondContact O-N 3.24Å; D911-Y1004 HydrophobicContact CB-CE1 4.06Å; D911-Y1004 WeakPolarHBondContact OD2-CE1 3.23Å; D911-Y1004 PolarHBondContact OD2-OH 2.93Å; D911-K1036 IonicContact OD1-NZ 2.93Å; D911-K1036 PolarHBondContact OD1-NZ 2.93Å; D911-K1036 IonicContact OD2-NZ 3.29Å; D911-K1036 PolarHBondContact OD2-NZ 3.12Å; D911-T1046 WeakPolarHBondContact CA-O 3.48Å; D911-T1046 VanDerWaalsContact OD1-CB 3.26Å; D911-T1046 WeakPolarHBondContact OD1-CB 3.44Å; D911-T1046 PolarHBondContact OD1-OG1 3.05Å; D911-C1049 VanDerWaalsContact CB-SG 3.59Å; D911-L1050 HydrophobicContact CB-CD2 4.19Å
912	T	91.8	Very high	90.9	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	159.5	-175.7	79.7	0	0	0	0	113.3	R918 L919 L939 F1045 T1046 Y1047 N1048 C1049 L1050	T912-R918 WeakPolarHBondContact CA-O 3.49Å; T912-L919 HydrophobicContact CG2-CD2 3.33Å; T912-L939 HydrophobicContact CG2-CD2 4.3Å; T912-F1045 HydrophobicContact CG2-CD2 4.37Å; T912-F1045 HydrophobicContact CG2-CE2 3.42Å; T912-F1045 VanDerWaalsContact CG2-CE2 3.42Å; T912-F1045 HydrophobicContact CG2-CZ 4.06Å; T912-T1046 PolarHBondContact N-O 3.49Å; T912-Y1047 WeakPolarHBondContact OG1-CD2 3.36Å; T912-N1048 CarbonylContact O-C 3.45Å; T912-N1048 VanDerWaalsContact O-CA 3.24Å; T912-N1048 WeakPolarHBondContact O-CA 3.39Å; T912-N1048 PolarHBondContact O-N 2.96Å; T912-N1048 VanDerWaalsContact O-N 3.08Å; T912-N1048 PolarHBondContact OG1-N 2.61Å; T912-C1049 PolarHBondContact O-N 2.97Å; T912-L1050 PolarHBondContact O-N 2.92Å
913	N	88.1	Confident	90.8	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.064	C	C	.	.			trans	-80.3	-179.4	160.3	71.3	-20.3	0	0	0	110.8	D915 C916 T917 R918 L1050 D1052	N913-D915 PolarHBondContact ND2-OD1 3.31Å; N913-D915 PolarHBondContact OD1-OD1 3.44Å; N913-D915 VanDerWaalsContact OD1-OD1 3.08Å; N913-C916 PolarHBondContact O-N 3.07Å; N913-C916 WeakPolarHBondContact OD1-CA 3.45Å; N913-C916 PolarHBondContact OD1-N 2.82Å; N913-T917 PolarHBondContact ND2-OG1 2.95Å; N913-T917 PolarHBondContact OD1-N 3.46Å; N913-T917 VanDerWaalsContact OD1-N 3.16Å; N913-R918 HydrophobicContact CB-CB 4.21Å; N913-R918 PolarHBondContact N-O 2.76Å; N913-R918 PolarHBondContact OD1-N 2.99Å; N913-R918 PolarHBondContact OD1-O 3.15Å; N913-L1050 HydrophobicContact CB-CB 4.23Å; N913-L1050 HydrophobicContact CB-CD1 4.43Å; N913-D1052 HydrophobicContact CB-CB 4.29Å; N913-D1052 PolarHBondContact ND2-OD2 2.79Å
914	A	80.5	Confident	90.7	Very high	6 Å²	6	11.8 Å²	11.8	5%	0.05	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-52.4	179.7	0	0	0	0	0	115.4	Y1047 N1048 L1056 P1078	A914-Y1047 WeakPolarHBondContact O-CE2 3.45Å; A914-Y1047 PolarHBondContact O-OH 3.14Å; A914-N1048 WeakPolarHBondContact CA-OD1 3.4Å; A914-N1048 WeakPolarHBondContact CB-OD1 3.38Å; A914-N1048 PolarHBondContact N-OD1 3.46Å; A914-N1048 VanDerWaalsContact N-OD1 3.16Å; A914-L1056 HydrophobicContact CB-CB 4.15Å; A914-L1056 HydrophobicContact CB-CD1 3.21Å; A914-L1056 HydrophobicContact CB-CG 4.24Å; A914-L1056 VanDerWaalsContact O-CD1 3.31Å; A914-L1056 WeakPolarHBondContact O-CD1 3.37Å; A914-P1078 WeakPolarHBondContact O-CG 3.39Å
915	D	80.8	Confident	90.7	Very high	32 Å²	32	11.5 Å²	11.5	17%	0.171	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	6.2	-175.2	60.5	9.2	0	0	0	113.3	N913 T917 K1054	N913-D915 PolarHBondContact ND2-OD1 3.31Å; N913-D915 PolarHBondContact OD1-OD1 3.44Å; N913-D915 VanDerWaalsContact OD1-OD1 3.08Å; D915-T917 HydrophobicContact CB-CG2 4.37Å; D915-T917 VanDerWaalsContact CG-OG1 3.3Å; D915-T917 PolarHBondContact O-N 2.7Å; D915-T917 VanDerWaalsContact O-N 3.16Å; D915-T917 WeakPolarHBondContact OD1-CB 3.47Å; D915-T917 WeakPolarHBondContact OD1-CG2 3.5Å; D915-T917 PolarHBondContact OD1-N 2.83Å; D915-T917 VanDerWaalsContact OD1-N 3.15Å; D915-T917 PolarHBondContact OD1-OG1 3.33Å; D915-T917 PolarHBondContact OD2-OG1 3.23Å; D915-K1054 IonicContact OD2-NZ 2.91Å
916	C	86.8	Confident	90.8	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.067	C	C	.	.	S	Bend	trans	60.8	11.5	-177.2	-60.7	0	0	0	0	115.1	N913 L919 A935 L939	N913-C916 PolarHBondContact O-N 3.07Å; N913-C916 WeakPolarHBondContact OD1-CA 3.45Å; N913-C916 PolarHBondContact OD1-N 2.82Å; C916-L919 WeakPolarHBondContact O-CD2 3.48Å; C916-A935 WeakPolarHBondContact O-CB 3.46Å; C916-L939 HydrophobicContact CB-CD2 4.01Å
917	T	88.9	Confident	90.8	Very high	20 Å²	20	11.5 Å²	11.5	12%	0.123	6%	0.064	C	C	.	.			trans	-73.4	-32.8	178.6	56.9	0	0	0	0	112.1	N913 D915 E928 V929 P932	N913-T917 PolarHBondContact ND2-OG1 2.95Å; N913-T917 PolarHBondContact OD1-N 3.46Å; N913-T917 VanDerWaalsContact OD1-N 3.16Å; D915-T917 HydrophobicContact CB-CG2 4.37Å; D915-T917 VanDerWaalsContact CG-OG1 3.3Å; D915-T917 PolarHBondContact O-N 2.7Å; D915-T917 VanDerWaalsContact O-N 3.16Å; D915-T917 WeakPolarHBondContact OD1-CB 3.47Å; D915-T917 WeakPolarHBondContact OD1-CG2 3.5Å; D915-T917 PolarHBondContact OD1-N 2.83Å; D915-T917 VanDerWaalsContact OD1-N 3.15Å; D915-T917 PolarHBondContact OD1-OG1 3.33Å; D915-T917 PolarHBondContact OD2-OG1 3.23Å; T917-E928 WeakPolarHBondContact O-CA 3.36Å; T917-V929 WeakPolarHBondContact CB-O 3.43Å; T917-V929 PolarHBondContact O-N 3.35Å; T917-P932 HydrophobicContact CG2-CB 3.78Å
918	R	91.7	Very high	90.8	Very high	48 Å²	48	16.3 Å²	16.3	18%	0.181	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	118.5	178.5	-170.9	-179.4	177.5	-158.1	-0.2	110.1	T912 N913 E926 L1050 T1051	T912-R918 WeakPolarHBondContact CA-O 3.49Å; N913-R918 HydrophobicContact CB-CB 4.21Å; N913-R918 PolarHBondContact N-O 2.76Å; N913-R918 PolarHBondContact OD1-N 2.99Å; N913-R918 PolarHBondContact OD1-O 3.15Å; R918-E926 HydrophobicContact CG-CG 4.44Å; R918-E926 IonicContact CZ-OE2 3.85Å; R918-E926 IonicContact NE-OE2 2.95Å; R918-E926 PolarHBondContact NE-OE2 3.37Å; R918-E926 IonicContact NH2-OE2 3.56Å; R918-E926 PolarHBondContact NH2-OE2 3.19Å; R918-L1050 HydrophobicContact CB-CD1 4.32Å; R918-L1050 HydrophobicContact CG-CD1 3.93Å; R918-T1051 PolarHBondContact NH1-O 3.16Å
919	L	93.8	Very high	90.9	Very high	3 Å²	3	13.9 Å²	13.9	2%	0.016	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	124.1	-179	-48.4	171	0	0	0	109.8	L900 L904 D911 T912 C916 E926 L927 L939	L900-L919 HydrophobicContact CD1-CD1 4.43Å; L904-L919 HydrophobicContact CD2-CD1 4.24Å; D911-L919 CarbonylContact O-C 3.59Å; D911-L919 WeakPolarHBondContact O-CA 3.34Å; T912-L919 HydrophobicContact CG2-CD2 3.33Å; C916-L919 WeakPolarHBondContact O-CD2 3.48Å; L919-E926 WeakPolarHBondContact O-CA 3.43Å; L919-L927 HydrophobicContact CB-CB 4.2Å; L919-L927 PolarHBondContact N-O 3.07Å; L919-L927 PolarHBondContact O-N 3.28Å; L919-L939 HydrophobicContact CD2-CD2 4.45Å
920	V	94.3	Very high	90.5	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	123	175.2	178.2	0	0	0	0	109.7	D911 L925 L995 L1003 L1050	D911-V920 HydrophobicContact CB-CB 4.35Å; D911-V920 PolarHBondContact N-O 2.99Å; D911-V920 PolarHBondContact O-N 3.24Å; V920-L925 CarbonylContact C-O 3.6Å; V920-L925 WeakPolarHBondContact CA-O 3.49Å; V920-L995 HydrophobicContact CG1-CD1 3.67Å; V920-L995 HydrophobicContact CG2-CD1 4.32Å; V920-L1003 HydrophobicContact CB-CD2 4.45Å; V920-L1003 HydrophobicContact CG1-CD2 3.74Å; V920-L1003 HydrophobicContact CG2-CD1 3.98Å; V920-L1003 HydrophobicContact CG2-CD2 4.43Å; V920-L1050 HydrophobicContact CB-CD1 4.4Å; V920-L1050 HydrophobicContact CB-CD2 4.15Å; V920-L1050 HydrophobicContact CG2-CD1 3.68Å; V920-L1050 HydrophobicContact CG2-CD2 3.78Å; V920-L1050 HydrophobicContact CG2-CG 4.42Å
921	V	94.6	Very high	90.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	125.3	-175.4	-172.8	0	0	0	0	110.4	L903 A907 S909 G923 W924 L925 L927	L903-V921 HydrophobicContact CB-CG1 4.33Å; L903-V921 HydrophobicContact CB-CG2 4.35Å; L903-V921 HydrophobicContact CD1-CG2 4.4Å; L903-V921 HydrophobicContact CD2-CG1 3.99Å; A907-V921 HydrophobicContact CB-CG1 3.38Å; S909-V921 WeakPolarHBondContact O-CA 3.5Å; V921-G923 PolarHBondContact O-N 2.87Å; V921-W924 PolarHBondContact O-N 3.43Å; V921-W924 VanDerWaalsContact O-N 3.14Å; V921-L925 HydrophobicContact CB-CB 4.34Å; V921-L925 PolarHBondContact N-O 3.07Å; V921-L925 PolarHBondContact O-N 2.98Å; V921-L927 HydrophobicContact CG2-CD1 3.78Å
922	D	91.6	Very high	89.7	Confident	6 Å²	6	28.6 Å²	28.6	3%	0.032	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	22.1	-179.1	-75.4	15.1	0	0	0	115.1	Y812 R835 N908 S909 W924	Y812-D922 WeakPolarHBondContact CE1-OD2 3.45Å; Y812-D922 VanDerWaalsContact CZ-OD2 3.32Å; Y812-D922 PolarHBondContact OH-OD1 3.33Å; Y812-D922 PolarHBondContact OH-OD2 3.04Å; R835-D922 PolarHBondContact NH2-O 2.74Å; N908-D922 WeakPolarHBondContact CA-OD1 3.47Å; N908-D922 WeakPolarHBondContact CB-OD1 3.45Å; N908-D922 PolarHBondContact N-OD1 3.24Å; S909-D922 PolarHBondContact N-OD1 3.49Å; S909-D922 PolarHBondContact O-N 3.32Å; S909-D922 WeakPolarHBondContact OG-CA 3.37Å; D922-W924 VanDerWaalsContact C-N 3.31Å; D922-W924 PolarHBondContact O-N 3.09Å
923	G	90.1	Very high	89.3	Confident	18 Å²	18	34.2 Å²	34.2	19%	0.186	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.6	16	179.6	0	0	0	0	0	115.3	V921	V921-G923 PolarHBondContact O-N 2.87Å
924	W	92.9	Very high	89.2	Confident	17 Å²	17	36.4 Å²	36.4	6%	0.064	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-138.7	-19.4	-178.9	79.7	-75.8	0	0	0	115.6	L817 R835 V921 D922 R994 L995	L817-W924 HydrophobicContact CB-CH2 4.43Å; L817-W924 HydrophobicContact CB-CZ3 4.48Å; R835-W924 HydrophobicContact CB-CD2 3.94Å; R835-W924 HydrophobicContact CB-CE3 4.5Å; R835-W924 HydrophobicContact CB-CG 4.15Å; R835-W924 HydrophobicContact CB-CZ2 4.35Å; R835-W924 HydrophobicContact CG-CB 4.23Å; R835-W924 HydrophobicContact CG-CD2 4.1Å; R835-W924 HydrophobicContact CG-CG 3.75Å; V921-W924 PolarHBondContact O-N 3.43Å; V921-W924 VanDerWaalsContact O-N 3.14Å; D922-W924 VanDerWaalsContact C-N 3.31Å; D922-W924 PolarHBondContact O-N 3.09Å; W924-R994 HydrophobicContact CE3-CG 4.1Å; W924-R994 HydrophobicContact CZ3-CG 4.47Å; W924-L995 PolarHBondContact O-N 3.4Å
925	L	94.5	Very high	89.6	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	138.9	172.9	-69.4	173.7	0	0	0	109.7	L817 L877 L903 V920 V921 L992	L817-L925 HydrophobicContact CB-CD2 4.43Å; L817-L925 HydrophobicContact CD1-CD2 4.41Å; L817-L925 HydrophobicContact CD2-CD2 4.08Å; L877-L925 HydrophobicContact CD1-CD1 4.43Å; L903-L925 HydrophobicContact CD1-CD1 3.97Å; L903-L925 HydrophobicContact CD2-CD1 4.01Å; V920-L925 CarbonylContact C-O 3.6Å; V920-L925 WeakPolarHBondContact CA-O 3.49Å; V921-L925 HydrophobicContact CB-CB 4.34Å; V921-L925 PolarHBondContact N-O 3.07Å; V921-L925 PolarHBondContact O-N 2.98Å; L925-L992 HydrophobicContact CD2-CD1 4.37Å
926	E	93.9	Very high	89.8	Confident	8 Å²	8	35.3 Å²	35.3	4%	0.037	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	131.9	173.4	-177	173.1	68.2	0	0	109.2	R918 L919 Q993 L995	R918-E926 HydrophobicContact CG-CG 4.44Å; R918-E926 IonicContact CZ-OE2 3.85Å; R918-E926 IonicContact NE-OE2 2.95Å; R918-E926 PolarHBondContact NE-OE2 3.37Å; R918-E926 IonicContact NH2-OE2 3.56Å; R918-E926 PolarHBondContact NH2-OE2 3.19Å; L919-E926 WeakPolarHBondContact O-CA 3.43Å; E926-Q993 HydrophobicContact CB-CG 4.17Å; E926-Q993 PolarHBondContact N-O 2.94Å; E926-Q993 PolarHBondContact O-N 2.77Å; E926-Q993 PolarHBondContact OE1-NE2 2.82Å; E926-L995 HydrophobicContact CB-CD2 3.84Å; E926-L995 HydrophobicContact CB-CG 4.04Å; E926-L995 HydrophobicContact CG-CD2 4.44Å
927	L	93.8	Very high	89.8	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	125.4	173.7	-63.7	156.1	0	0	0	107.4	L900 L903 L919 V921 Y990 S991 L992	L900-L927 HydrophobicContact CD1-CD1 3.97Å; L900-L927 HydrophobicContact CD1-CD2 4.42Å; L903-L927 HydrophobicContact CD1-CD1 3.9Å; L903-L927 HydrophobicContact CD1-CD2 4.39Å; L903-L927 HydrophobicContact CD1-CG 4.43Å; L919-L927 HydrophobicContact CB-CB 4.2Å; L919-L927 PolarHBondContact N-O 3.07Å; L919-L927 PolarHBondContact O-N 3.28Å; V921-L927 HydrophobicContact CG2-CD1 3.78Å; L927-Y990 HydrophobicContact CD2-CD2 3.48Å; L927-Y990 VanDerWaalsContact CD2-CD2 3.48Å; L927-Y990 HydrophobicContact CD2-CE2 3.44Å; L927-Y990 VanDerWaalsContact CD2-CE2 3.44Å; L927-S991 WeakPolarHBondContact CA-O 3.43Å; L927-L992 HydrophobicContact CD2-CB 4.27Å; L927-L992 HydrophobicContact CD2-CD1 3.6Å; L927-L992 HydrophobicContact CD2-CG 4.43Å; L927-L992 HydrophobicContact CG-CD1 4.23Å
928	E	92.1	Very high	89.9	Confident	101 Å²	101	42.4 Å²	42.4	47%	0.472	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	116	176.6	-165.6	176.9	177.6	0	0	109.5	T917 Y990 S991	T917-E928 WeakPolarHBondContact O-CA 3.36Å; E928-Y990 CarbonylContact O-C 3.53Å; E928-Y990 WeakPolarHBondContact O-CA 3.23Å; E928-Y990 VanDerWaalsContact O-CB 3.26Å; E928-Y990 WeakPolarHBondContact O-CB 3.42Å; E928-S991 WeakPolarHBondContact CB-OG 3.24Å; E928-S991 PolarHBondContact N-O 2.82Å; E928-S991 VanDerWaalsContact N-O 3.09Å; E928-S991 PolarHBondContact O-N 2.9Å
929	V	90.7	Very high	89.9	Confident	4 Å²	4	40.2 Å²	40.2	2%	0.024	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	126.7	178.1	-178.2	0	0	0	0	108.4	T917 E931 E934 A935 V988	T917-V929 WeakPolarHBondContact CB-O 3.43Å; T917-V929 PolarHBondContact O-N 3.35Å; V929-E931 PolarHBondContact O-N 3.46Å; V929-E934 HydrophobicContact CG1-CB 4.42Å; V929-A935 HydrophobicContact CB-CB 3.83Å; V929-A935 HydrophobicContact CG1-CB 3.79Å; V929-A935 HydrophobicContact CG2-CB 4.3Å; V929-V988 HydrophobicContact CG1-CG1 3.53Å; V929-V988 HydrophobicContact CG2-CG1 4.41Å
930	R	84.3	Confident	89.5	Confident	161 Å²	161	41 Å²	41	61%	0.608	19%	0.192	S	C	*	.	S	Bend	trans	-63.9	-40.7	-174.7	-70.3	-170.4	174.2	-171	-0.5	113.5	D871	D871-R930 IonicContact OD2-CZ 3.77Å; D871-R930 IonicContact OD2-NE 3.67Å; D871-R930 PolarHBondContact OD2-NE 3.45Å; D871-R930 IonicContact OD2-NH2 3.02Å; D871-R930 PolarHBondContact OD2-NH2 3.21Å
931	E	85.8	Confident	89.3	Confident	109 Å²	109	45.9 Å²	45.9	51%	0.509	21%	0.213	S	C	.	.			trans	-104.7	122.3	-174.1	-64.8	-168.7	-174.6	0	0	111.4	V929 E933 E934 A935	V929-E931 PolarHBondContact O-N 3.46Å; E931-E933 VanDerWaalsContact C-N 3.29Å; E931-E933 PolarHBondContact O-N 2.84Å; E931-E934 HydrophobicContact CB-CB 4.12Å; E931-E934 HydrophobicContact CB-CG 3.92Å; E931-E934 PolarHBondContact O-N 3.04Å; E931-A935 WeakPolarHBondContact O-CB 3.49Å; E931-A935 PolarHBondContact O-N 3.11Å
932	P	83	Confident	89.1	Confident	68 Å²	68	45.9 Å²	45.9	44%	0.442	21%	0.213	S	C	.	.	H	α-helix	trans	-65.1	-31.8	-177.3	24.9	-33.6	0	0	0	112.8	T917 L936	T917-P932 HydrophobicContact CG2-CB 3.78Å; P932-L936 WeakPolarHBondContact O-CB 3.43Å; P932-L936 PolarHBondContact O-N 3.29Å
933	E	83.3	Confident	88.9	Confident	117 Å²	117	45.9 Å²	45.9	55%	0.547	21%	0.213	S	C	.	.	H	α-helix	trans	-68.9	-41	176.8	-64	-167.3	171.7	0	0	112.2	E931 L936 R937	E931-E933 VanDerWaalsContact C-N 3.29Å; E931-E933 PolarHBondContact O-N 2.84Å; E933-L936 PolarHBondContact O-N 2.77Å; E933-R937 WeakPolarHBondContact O-CB 3.48Å; E933-R937 PolarHBondContact O-N 3.33Å
934	E	87.1	Confident	88.7	Confident	47 Å²	47	48.1 Å²	48.1	22%	0.22	23%	0.226	C	C	.	.	H	α-helix	trans	-65.6	-44	174.5	-65.6	-166.2	150.7	0	0	111	V929 E931 L936 R937 V938 V988	V929-E934 HydrophobicContact CG1-CB 4.42Å; E931-E934 HydrophobicContact CB-CB 4.12Å; E931-E934 HydrophobicContact CB-CG 3.92Å; E931-E934 PolarHBondContact O-N 3.04Å; E934-L936 VanDerWaalsContact C-N 3.31Å; E934-L936 PolarHBondContact O-N 3.09Å; E934-R937 PolarHBondContact O-N 3.48Å; E934-V938 WeakPolarHBondContact O-CG2 3.37Å; E934-V938 PolarHBondContact O-N 3.15Å; E934-V988 HydrophobicContact CB-CG1 4.32Å; E934-V988 HydrophobicContact CB-CG2 4.2Å
935	A	87.7	Confident	88.6	Confident	2 Å²	2	47.8 Å²	47.8	2%	0.017	23%	0.226	C	C	.	.	H	α-helix	trans	-56.5	-46.9	177.3	0	0	0	0	0	111.2	C916 V929 E931 L939	C916-A935 WeakPolarHBondContact O-CB 3.46Å; V929-A935 HydrophobicContact CB-CB 3.83Å; V929-A935 HydrophobicContact CG1-CB 3.79Å; V929-A935 HydrophobicContact CG2-CB 4.3Å; E931-A935 WeakPolarHBondContact O-CB 3.49Å; E931-A935 PolarHBondContact O-N 3.11Å; A935-L939 WeakPolarHBondContact O-CB 3.45Å; A935-L939 PolarHBondContact O-N 2.97Å
936	L	85.8	Confident	88.4	Confident	12 Å²	12	48.7 Å²	48.7	6%	0.063	23%	0.229	C	C	.	.	H	α-helix	trans	-63.9	-44.6	178.3	-166.9	62.2	0	0	0	112.4	P932 E933 E934 L939 S940 P1078 R1081 M1082	P932-L936 WeakPolarHBondContact O-CB 3.43Å; P932-L936 PolarHBondContact O-N 3.29Å; E933-L936 PolarHBondContact O-N 2.77Å; E934-L936 VanDerWaalsContact C-N 3.31Å; E934-L936 PolarHBondContact O-N 3.09Å; L936-L939 PolarHBondContact O-N 3.32Å; L936-S940 WeakPolarHBondContact O-CB 3.48Å; L936-S940 PolarHBondContact O-N 3.11Å; L936-P1078 HydrophobicContact CD1-CB 3.71Å; L936-P1078 HydrophobicContact CD2-CB 4.3Å; L936-R1081 HydrophobicContact CD2-CB 3.96Å; L936-M1082 HydrophobicContact CD1-CG 3.44Å; L936-M1082 VanDerWaalsContact CD1-CG 3.44Å; L936-M1082 HydrophobicContact CD1-SD 3.39Å; L936-M1082 WeakPolarHBondContact CD1-SD 3.34Å; L936-M1082 HydrophobicContact CD2-CG 4.41Å; L936-M1082 HydrophobicContact CG-CG 3.91Å; L936-M1082 HydrophobicContact CG-SD 4.45Å
937	R	86.9	Confident	87.9	Confident	158 Å²	158	49.9 Å²	49.9	60%	0.596	24%	0.237	S	C	*	.	H	α-helix	trans	-61.9	-47.7	179.9	-172.4	-173.3	-62	143.9	3.6	111.6	E933 E934 K941	E933-R937 WeakPolarHBondContact O-CB 3.48Å; E933-R937 PolarHBondContact O-N 3.33Å; E934-R937 PolarHBondContact O-N 3.48Å; R937-K941 WeakPolarHBondContact O-CB 3.25Å; R937-K941 PolarHBondContact O-N 2.96Å
938	V	91.1	Very high	87.6	Confident	11 Å²	11	52.6 Å²	52.6	7%	0.067	25%	0.249	C	C	.	.	H	α-helix	trans	-65.9	-45.1	180	174.5	0	0	0	0	110.9	L900 L904 E934 K941 A942 F982 T986 V988	L900-V938 HydrophobicContact CD2-CG1 4.26Å; L900-V938 HydrophobicContact CG-CG1 4.47Å; L904-V938 HydrophobicContact CD1-CG1 3.58Å; E934-V938 WeakPolarHBondContact O-CG2 3.37Å; E934-V938 PolarHBondContact O-N 3.15Å; V938-K941 PolarHBondContact O-N 2.79Å; V938-A942 WeakPolarHBondContact O-CB 3.37Å; V938-A942 PolarHBondContact O-N 3.45Å; V938-F982 HydrophobicContact CG1-CE2 3.85Å; V938-F982 HydrophobicContact CG1-CZ 3.91Å; V938-T986 HydrophobicContact CG1-CG2 4.33Å; V938-T986 HydrophobicContact CG2-CG2 3.52Å; V938-V988 HydrophobicContact CG2-CB 4.46Å; V938-V988 HydrophobicContact CG2-CG2 3.49Å; V938-V988 VanDerWaalsContact CG2-CG2 3.49Å
939	L	89.9	Confident	87.4	Confident	3 Å²	3	47.8 Å²	47.8	2%	0.016	23%	0.227	C	C	.	.	H	α-helix	trans	-63.3	-49.3	179.1	-177.6	62	0	0	0	111.5	L904 T912 C916 L919 A935 L936 K941 A942 L943 F1045	L904-L939 HydrophobicContact CD2-CD1 4.11Å; T912-L939 HydrophobicContact CG2-CD2 4.3Å; C916-L939 HydrophobicContact CB-CD2 4.01Å; L919-L939 HydrophobicContact CD2-CD2 4.45Å; A935-L939 WeakPolarHBondContact O-CB 3.45Å; A935-L939 PolarHBondContact O-N 2.97Å; L936-L939 PolarHBondContact O-N 3.32Å; L939-K941 VanDerWaalsContact C-N 3.31Å; L939-K941 PolarHBondContact O-N 3.19Å; L939-A942 PolarHBondContact O-N 3.29Å; L939-L943 HydrophobicContact CD1-CD1 4.17Å; L939-L943 HydrophobicContact CD1-CG 4.24Å; L939-L943 HydrophobicContact CG-CD1 4.01Å; L939-L943 HydrophobicContact CG-CG 4.46Å; L939-L943 WeakPolarHBondContact O-CB 3.29Å; L939-L943 VanDerWaalsContact O-CG 3.24Å; L939-L943 WeakPolarHBondContact O-CG 3.28Å; L939-L943 PolarHBondContact O-N 3.04Å; L939-F1045 HydrophobicContact CD1-CD2 4.45Å; L939-F1045 HydrophobicContact CD1-CE2 3.95Å; L939-F1045 HydrophobicContact CD2-CE2 3.78Å; L939-F1045 HydrophobicContact CD2-CZ 3.79Å; L939-F1045 HydrophobicContact CG-CE2 4.3Å; L939-F1045 HydrophobicContact CG-CZ 4.47Å
940	S	86.3	Confident	87.1	Confident	19 Å²	19	49.9 Å²	49.9	13%	0.133	24%	0.236	C	C	.	.	H	α-helix	trans	-55.3	-46.7	176.4	-177	0	0	0	0	111.7	L936 A942 L943 S944	L936-S940 WeakPolarHBondContact O-CB 3.48Å; L936-S940 PolarHBondContact O-N 3.11Å; S940-A942 PolarHBondContact O-N 3.28Å; S940-L943 PolarHBondContact O-N 2.72Å; S940-S944 PolarHBondContact O-N 3.23Å
941	K	89.3	Confident	87.1	Confident	102 Å²	102	47.4 Å²	47.4	44%	0.443	23%	0.227	S	C	.	.	H	α-helix	trans	-65	-42.3	179.1	-169.4	58	173.6	179.5	0	112.5	R937 V938 L939 S944 L945 F982	R937-K941 WeakPolarHBondContact O-CB 3.25Å; R937-K941 PolarHBondContact O-N 2.96Å; V938-K941 PolarHBondContact O-N 2.79Å; L939-K941 VanDerWaalsContact C-N 3.31Å; L939-K941 PolarHBondContact O-N 3.19Å; K941-S944 PolarHBondContact O-N 3.13Å; K941-L945 HydrophobicContact CG-CD1 4.13Å; K941-L945 VanDerWaalsContact O-CG 3.31Å; K941-L945 WeakPolarHBondContact O-CG 3.3Å; K941-L945 PolarHBondContact O-N 3.24Å; K941-F982 HydrophobicContact CB-CD2 4.29Å; K941-F982 HydrophobicContact CB-CE2 4.34Å; K941-F982 HydrophobicContact CG-CD2 3.94Å; K941-F982 HydrophobicContact CG-CE2 4.48Å
942	A	91.4	Very high	87	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.008	20%	0.204	C	C	.	.	H	α-helix	trans	-63.3	-43.7	177.9	0	0	0	0	0	112.1	L904 V938 L939 S940 L945 R946 F982	L904-A942 HydrophobicContact CB-CB 3.73Å; L904-A942 HydrophobicContact CD1-CB 4.2Å; V938-A942 WeakPolarHBondContact O-CB 3.37Å; V938-A942 PolarHBondContact O-N 3.45Å; L939-A942 PolarHBondContact O-N 3.29Å; S940-A942 PolarHBondContact O-N 3.28Å; A942-L945 PolarHBondContact O-N 3.34Å; A942-R946 VanDerWaalsContact O-CB 3.3Å; A942-R946 WeakPolarHBondContact O-CB 3.46Å; A942-R946 PolarHBondContact O-N 2.86Å; A942-F982 HydrophobicContact CB-CE1 4.34Å; A942-F982 HydrophobicContact CB-CE2 4.16Å; A942-F982 HydrophobicContact CB-CZ 3.72Å
943	L	87.4	Confident	87	Confident	6 Å²	6	40.1 Å²	40.1	3%	0.031	19%	0.188	C	C	.	.	H	α-helix	trans	-62.9	-43.5	178.6	-69.2	175.6	0	0	0	112	L939 S940 R946 T947 F1025 F1044 F1045 M1082	L939-L943 HydrophobicContact CD1-CD1 4.17Å; L939-L943 HydrophobicContact CD1-CG 4.24Å; L939-L943 HydrophobicContact CG-CD1 4.01Å; L939-L943 HydrophobicContact CG-CG 4.46Å; L939-L943 WeakPolarHBondContact O-CB 3.29Å; L939-L943 VanDerWaalsContact O-CG 3.24Å; L939-L943 WeakPolarHBondContact O-CG 3.28Å; L939-L943 PolarHBondContact O-N 3.04Å; S940-L943 PolarHBondContact O-N 2.72Å; L943-R946 PolarHBondContact O-N 3.16Å; L943-T947 WeakPolarHBondContact O-CB 3.39Å; L943-T947 PolarHBondContact O-N 2.89Å; L943-T947 PolarHBondContact O-OG1 2.86Å; L943-F1025 HydrophobicContact CB-CE1 4.12Å; L943-F1025 HydrophobicContact CB-CZ 4.38Å; L943-F1025 HydrophobicContact CD1-CE1 4.35Å; L943-F1025 HydrophobicContact CD1-CZ 3.94Å; L943-F1025 HydrophobicContact CD2-CE1 4.48Å; L943-F1044 HydrophobicContact CD2-CE2 3.32Å; L943-F1044 HydrophobicContact CD2-CZ 3.41Å; L943-F1044 VanDerWaalsContact CD2-CZ 3.41Å; L943-F1045 HydrophobicContact CD1-CD1 3.98Å; L943-F1045 HydrophobicContact CD1-CE1 4.03Å; L943-F1045 HydrophobicContact CD1-CG 4.35Å; L943-F1045 HydrophobicContact CD1-CZ 4.35Å; L943-F1045 HydrophobicContact CD2-CB 4.17Å; L943-F1045 HydrophobicContact CD2-CD1 4.43Å; L943-F1045 HydrophobicContact CD2-CD2 4.48Å; L943-F1045 HydrophobicContact CD2-CG 4.12Å; L943-M1082 HydrophobicContact CD1-CE 3.57Å
944	S	86.4	Confident	86.8	Confident	65 Å²	65	39.9 Å²	39.9	46%	0.455	19%	0.185	S	C	.	.	H	α-helix	trans	-60.2	-49.4	174.6	175.8	0	0	0	0	111.8	S940 K941 R946 T947 E948	S940-S944 PolarHBondContact O-N 3.23Å; K941-S944 PolarHBondContact O-N 3.13Å; S944-R946 PolarHBondContact O-N 3.26Å; S944-T947 PolarHBondContact O-N 3.45Å; S944-E948 PolarHBondContact O-N 3.32Å; S944-E948 VanDerWaalsContact O-N 3.1Å
945	L	90.8	Very high	86.5	Confident	10 Å²	10	39.7 Å²	39.7	5%	0.052	19%	0.187	C	C	.	.	H	α-helix	trans	-63.1	-40.1	179.5	-72.3	170.1	0	0	0	112.6	L905 K941 A942 W949 L975 L979 F982	L905-L945 HydrophobicContact CD2-CB 4.11Å; K941-L945 HydrophobicContact CG-CD1 4.13Å; K941-L945 VanDerWaalsContact O-CG 3.31Å; K941-L945 WeakPolarHBondContact O-CG 3.3Å; K941-L945 PolarHBondContact O-N 3.24Å; A942-L945 PolarHBondContact O-N 3.34Å; L945-W949 WeakPolarHBondContact O-CB 3.34Å; L945-W949 PolarHBondContact O-N 3.19Å; L945-L975 HydrophobicContact CD2-CD1 4.22Å; L945-L979 HydrophobicContact CB-CD2 4.14Å; L945-L979 HydrophobicContact CD1-CD2 4.34Å; L945-F982 HydrophobicContact CD1-CB 3.62Å; L945-F982 HydrophobicContact CD1-CD1 4.47Å; L945-F982 HydrophobicContact CD1-CD2 4.27Å; L945-F982 HydrophobicContact CD1-CG 3.88Å
946	R	89.6	Confident	86	Confident	18 Å²	18	42.3 Å²	42.3	7%	0.068	20%	0.199	C	C	.	.	H	α-helix	trans	-67.9	-42.4	179.7	-177.8	167.1	171.3	169.4	4.4	112	A907 A942 L943 S944 W949 E950 F1044	A907-R946 PolarHBondContact O-NH1 2.81Å; A907-R946 PolarHBondContact O-NH2 3.39Å; A942-R946 VanDerWaalsContact O-CB 3.3Å; A942-R946 WeakPolarHBondContact O-CB 3.46Å; A942-R946 PolarHBondContact O-N 2.86Å; L943-R946 PolarHBondContact O-N 3.16Å; S944-R946 PolarHBondContact O-N 3.26Å; R946-W949 PolarHBondContact O-N 2.81Å; R946-E950 IonicContact NE-OE1 2.75Å; R946-E950 PolarHBondContact NE-OE1 3.18Å; R946-E950 VanDerWaalsContact NE-OE1 3.17Å; R946-E950 IonicContact NH2-OE1 3.51Å; R946-E950 WeakPolarHBondContact O-CG 3.44Å; R946-E950 PolarHBondContact O-N 2.82Å; R946-F1044 HydrophobicContact CB-CZ 4.43Å; R946-F1044 VanDerWaalsContact CD-CZ 3.42Å; R946-F1044 HydrophobicContact CG-CE1 4.18Å; R946-F1044 HydrophobicContact CG-CZ 4.06Å
947	T	84.2	Confident	85.5	Confident	33 Å²	33	43 Å²	43	20%	0.202	20%	0.203	C	C	.	.	H	α-helix	trans	-61	-46	177.1	-57.1	0	0	0	0	110.8	L943 S944 E950 R951	L943-T947 WeakPolarHBondContact O-CB 3.39Å; L943-T947 PolarHBondContact O-N 2.89Å; L943-T947 PolarHBondContact O-OG1 2.86Å; S944-T947 PolarHBondContact O-N 3.45Å; T947-E950 PolarHBondContact O-N 3.41Å; T947-R951 WeakPolarHBondContact O-CB 3.38Å; T947-R951 PolarHBondContact O-N 2.99Å
948	E	85.9	Confident	84.5	Confident	57 Å²	57	38.6 Å²	38.6	27%	0.266	21%	0.206	S	C	.	.	H	α-helix	trans	-65.5	-40.5	177.7	-177.8	57.1	-166.2	0	0	112.3	S944 R951 L952 L975	S944-E948 PolarHBondContact O-N 3.32Å; S944-E948 VanDerWaalsContact O-N 3.1Å; E948-R951 PolarHBondContact O-N 3.45Å; E948-R951 IonicContact OE1-CZ 3.81Å; E948-R951 IonicContact OE1-NE 3.54Å; E948-R951 IonicContact OE1-NH2 2.81Å; E948-R951 PolarHBondContact OE1-NH2 3.4Å; E948-R951 IonicContact OE2-CZ 2.86Å; E948-R951 IonicContact OE2-NE 3.51Å; E948-R951 PolarHBondContact OE2-NE 2.92Å; E948-R951 IonicContact OE2-NH2 2.63Å; E948-R951 PolarHBondContact OE2-NH2 3.23Å; E948-L952 HydrophobicContact CG-CD1 4.02Å; E948-L952 WeakPolarHBondContact O-CB 3.13Å; E948-L952 WeakPolarHBondContact O-CG 3.42Å; E948-L952 PolarHBondContact O-N 2.97Å; E948-L952 WeakPolarHBondContact OE1-CD1 3.46Å; E948-L975 HydrophobicContact CB-CD1 4.34Å; E948-L975 HydrophobicContact CG-CD1 4.24Å
949	W	88.2	Confident	82.8	Confident	1 Å²	1	42.5 Å²	42.5	0%	0.004	22%	0.223	C	C	.	.	H	α-helix	trans	-61.8	-46.5	174.7	-171.5	0.6	0	0	0	112	F595 L805 R809 L945 R946 R951 L952 L953 L975 L979	F595-W949 AromaticContact CE2-CE2 3.8Å; F595-W949 AromaticContact CE2-CZ2 3.71Å; F595-W949 HydrophobicContact CE2-CZ2 3.71Å; F595-W949 AromaticContact CE2-NE1 3.79Å; F595-W949 HydrophobicContact CZ-CD2 4.26Å; F595-W949 AromaticContact CZ-CE2 3.74Å; F595-W949 HydrophobicContact CZ-CZ2 4.02Å; F595-W949 AromaticContact CZ-NE1 3.72Å; L805-W949 HydrophobicContact CD1-CZ3 4.29Å; L805-W949 HydrophobicContact CD2-CH2 4.02Å; L805-W949 HydrophobicContact CD2-CZ3 3.75Å; L805-W949 HydrophobicContact CG-CH2 3.95Å; L805-W949 HydrophobicContact CG-CZ3 4Å; R809-W949 HydrophobicContact CB-CH2 4.24Å; R809-W949 HydrophobicContact CG-CH2 4.35Å; L945-W949 WeakPolarHBondContact O-CB 3.34Å; L945-W949 PolarHBondContact O-N 3.19Å; R946-W949 PolarHBondContact O-N 2.81Å; W949-R951 VanDerWaalsContact C-N 3.35Å; W949-R951 PolarHBondContact O-N 3.33Å; W949-L952 PolarHBondContact O-N 3.43Å; W949-L953 WeakPolarHBondContact O-CB 3.46Å; W949-L953 PolarHBondContact O-N 3.41Å; W949-L975 HydrophobicContact CB-CD1 4.2Å; W949-L975 HydrophobicContact CB-CD2 3.84Å; W949-L975 HydrophobicContact CG-CD2 4.04Å; W949-L979 HydrophobicContact CE3-CD1 4.3Å; W949-L979 HydrophobicContact CE3-CD2 4.31Å
950	E	84.6	Confident	80.5	Confident	47 Å²	47	45.3 Å²	45.3	22%	0.22	24%	0.244	C	C	.	.	H	α-helix	trans	-64.1	-39.2	178	-73.3	179.5	-166.8	0	0	112.4	R946 T947 L953 K954	R946-E950 IonicContact NE-OE1 2.75Å; R946-E950 PolarHBondContact NE-OE1 3.18Å; R946-E950 VanDerWaalsContact NE-OE1 3.17Å; R946-E950 IonicContact NH2-OE1 3.51Å; R946-E950 WeakPolarHBondContact O-CG 3.44Å; R946-E950 PolarHBondContact O-N 2.82Å; T947-E950 PolarHBondContact O-N 3.41Å; E950-L953 PolarHBondContact O-N 3.02Å; E950-K954 WeakPolarHBondContact O-CG 3.22Å; E950-K954 PolarHBondContact O-N 3.09Å
951	R	84.6	Confident	78.2	Confident	110 Å²	110	51.5 Å²	51.5	42%	0.415	28%	0.281	S	S	.	.	H	α-helix	trans	-59.4	-52.5	174.9	-171.6	-168.9	72.3	81.3	-2.1	111.2	T947 E948 W949 L953 K954 V955	T947-R951 WeakPolarHBondContact O-CB 3.38Å; T947-R951 PolarHBondContact O-N 2.99Å; E948-R951 PolarHBondContact O-N 3.45Å; E948-R951 IonicContact OE1-CZ 3.81Å; E948-R951 IonicContact OE1-NE 3.54Å; E948-R951 IonicContact OE1-NH2 2.81Å; E948-R951 PolarHBondContact OE1-NH2 3.4Å; E948-R951 IonicContact OE2-CZ 2.86Å; E948-R951 IonicContact OE2-NE 3.51Å; E948-R951 PolarHBondContact OE2-NE 2.92Å; E948-R951 IonicContact OE2-NH2 2.63Å; E948-R951 PolarHBondContact OE2-NH2 3.23Å; W949-R951 VanDerWaalsContact C-N 3.35Å; W949-R951 PolarHBondContact O-N 3.33Å; R951-L953 PolarHBondContact O-N 2.93Å; R951-K954 PolarHBondContact O-N 3.31Å; R951-V955 WeakPolarHBondContact O-CG2 3.19Å; R951-V955 PolarHBondContact O-N 3.4Å; R951-V955 VanDerWaalsContact O-N 3.08Å
952	L	84.4	Confident	75.8	Confident	2 Å²	2	51.4 Å²	51.4	1%	0.01	29%	0.289	C	S	.	.	H	α-helix	trans	-63.9	-39.4	-179.5	-71.4	168.6	0	0	0	112.2	E948 W949 K954 V955 Q956 V967 D971 M972 L975	E948-L952 HydrophobicContact CG-CD1 4.02Å; E948-L952 WeakPolarHBondContact O-CB 3.13Å; E948-L952 WeakPolarHBondContact O-CG 3.42Å; E948-L952 PolarHBondContact O-N 2.97Å; E948-L952 WeakPolarHBondContact OE1-CD1 3.46Å; W949-L952 PolarHBondContact O-N 3.43Å; L952-K954 PolarHBondContact O-N 3.23Å; L952-V955 PolarHBondContact O-N 3.45Å; L952-Q956 PolarHBondContact O-N 3.27Å; L952-V967 HydrophobicContact CD2-CG1 3.67Å; L952-D971 HydrophobicContact CD2-CB 4.16Å; L952-M972 HydrophobicContact CB-SD 4.07Å; L952-M972 HydrophobicContact CD1-SD 3.75Å; L952-M972 HydrophobicContact CD2-SD 4.26Å; L952-M972 HydrophobicContact CG-SD 4.26Å; L952-L975 HydrophobicContact CD1-CB 4.13Å; L952-L975 HydrophobicContact CD1-CD2 3.78Å
953	L	81.9	Confident	73.3	Confident	22 Å²	22	55.5 Å²	55.5	12%	0.115	32%	0.318	C	S	.	.	H	α-helix	trans	-62	-43	174.9	178	67.3	0	0	0	111.7	L591 L594 W949 E950 R951 Q956 L957	L591-L953 HydrophobicContact CD2-CD1 4.3Å; L591-L953 HydrophobicContact CD2-CD2 4.49Å; L594-L953 HydrophobicContact CD1-CD1 3.84Å; W949-L953 WeakPolarHBondContact O-CB 3.46Å; W949-L953 PolarHBondContact O-N 3.41Å; E950-L953 PolarHBondContact O-N 3.02Å; R951-L953 PolarHBondContact O-N 2.93Å; L953-Q956 PolarHBondContact O-N 2.99Å; L953-L957 HydrophobicContact CD1-CD1 3.87Å; L953-L957 HydrophobicContact CD1-CG 4.14Å; L953-L957 HydrophobicContact CG-CD1 3.93Å; L953-L957 HydrophobicContact CG-CG 4.49Å; L953-L957 WeakPolarHBondContact O-CB 3.44Å; L953-L957 VanDerWaalsContact O-CG 3.25Å; L953-L957 WeakPolarHBondContact O-CG 3.21Å; L953-L957 PolarHBondContact O-N 2.9Å
954	K	80.4	Confident	71.2	Confident	111 Å²	111	59.8 Å²	59.8	48%	0.483	36%	0.363	S	S	.	.	H	α-helix	trans	-63.6	-39.8	177	-74.7	173.9	-177.4	173.5	0	112.2	E950 R951 L952 L957 G958 Q959	E950-K954 WeakPolarHBondContact O-CG 3.22Å; E950-K954 PolarHBondContact O-N 3.09Å; R951-K954 PolarHBondContact O-N 3.31Å; L952-K954 PolarHBondContact O-N 3.23Å; K954-L957 PolarHBondContact O-N 3.48Å; K954-G958 PolarHBondContact O-N 2.94Å; K954-Q959 PolarHBondContact O-N 3.49Å
955	V	80.8	Confident	69.3	Low	44 Å²	44	64.2 Å²	64.2	27%	0.267	38%	0.376	S	S	.	.	H	α-helix	trans	-64	-47.4	175.9	175.4	0	0	0	0	110.6	R951 L952 L957 G958 V967	R951-V955 WeakPolarHBondContact O-CG2 3.19Å; R951-V955 PolarHBondContact O-N 3.4Å; R951-V955 VanDerWaalsContact O-N 3.08Å; L952-V955 PolarHBondContact O-N 3.45Å; V955-L957 VanDerWaalsContact C-N 3.29Å; V955-L957 PolarHBondContact O-N 2.91Å; V955-G958 PolarHBondContact O-N 2.83Å; V955-V967 HydrophobicContact CB-CG2 3.99Å; V955-V967 HydrophobicContact CG1-CG2 3.64Å
956	Q	76.3	Confident	67.9	Low	56 Å²	56	66.9 Å²	66.9	26%	0.262	41%	0.407	S	S	.	.	H	α-helix	trans	-64.4	-32.8	179	-176.3	161.9	-25.9	0	0	113.2	S593 L594 L952 L953 G958 V967	S593-Q956 PolarHBondContact OG-NE2 3.34Å; S593-Q956 VanDerWaalsContact OG-NE2 3.11Å; L594-Q956 HydrophobicContact CD2-CB 4.37Å; L952-Q956 PolarHBondContact O-N 3.27Å; L953-Q956 PolarHBondContact O-N 2.99Å; Q956-G958 PolarHBondContact O-N 3.29Å; Q956-V967 HydrophobicContact CB-CG2 4.05Å
957	L	75.1	Confident	66.8	Low	28 Å²	28	68 Å²	68	15%	0.147	42%	0.415	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	5.9	175.3	-66.2	176.2	0	0	0	113.6	I572 L575 V590 L953 K954 V955	I572-L957 HydrophobicContact CB-CD1 4Å; L575-L957 HydrophobicContact CD1-CD2 3.52Å; V590-L957 HydrophobicContact CG1-CD2 4.27Å; L953-L957 HydrophobicContact CD1-CD1 3.87Å; L953-L957 HydrophobicContact CD1-CG 4.14Å; L953-L957 HydrophobicContact CG-CD1 3.93Å; L953-L957 HydrophobicContact CG-CG 4.49Å; L953-L957 WeakPolarHBondContact O-CB 3.44Å; L953-L957 VanDerWaalsContact O-CG 3.25Å; L953-L957 WeakPolarHBondContact O-CG 3.21Å; L953-L957 PolarHBondContact O-N 2.9Å; K954-L957 PolarHBondContact O-N 3.48Å; V955-L957 VanDerWaalsContact C-N 3.29Å; V955-L957 PolarHBondContact O-N 2.91Å
958	G	66.3	Low	66.4	Low	64 Å²	64	68.9 Å²	68.9	66%	0.66	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.7	24.6	173.9	0	0	0	0	0	115.1	K954 V955 Q956	K954-G958 PolarHBondContact O-N 2.94Å; V955-G958 PolarHBondContact O-N 2.83Å; Q956-G958 PolarHBondContact O-N 3.29Å
959	Q	55.4	Low	66	Low	93 Å²	93	75.2 Å²	75.2	44%	0.435	44%	0.444	S	S	.	.			trans	-91.2	-3.8	-176.2	-68.1	-170.8	-18.3	0	0	115	S571 K954	S571-Q959 VanDerWaalsContact OG-CG 3.31Å; S571-Q959 WeakPolarHBondContact OG-CG 3.3Å; S571-Q959 PolarHBondContact OG-NE2 3.34Å; K954-Q959 PolarHBondContact O-N 3.49Å
960	S	42.2	Very low	65.7	Low	63 Å²	63	84.2 Å²	84.2	44%	0.441	48%	0.478	S	S	.	.			trans	-98.5	115.3	177.1	-163.3	0	0	0	0	111	T962	S960-T962 PolarHBondContact O-N 2.59Å; S960-T962 PolarHBondContact OG-OG1 2.94Å
961	T	37.5	Very low	65.7	Low	148 Å²	148	84.4 Å²	84.4	91%	0.908	48%	0.481	S	S	*	.			trans	-75.5	-0.2	178.2	43.1	0	0	0	0	113.8
962	T	38.6	Very low	65.7	Low	100 Å²	100	80.3 Å²	80.3	61%	0.613	47%	0.466	S	S	*	.	S	Bend	trans	-113.9	110.8	-177.9	47.4	0	0	0	0	110.2	S960	S960-T962 PolarHBondContact O-N 2.59Å; S960-T962 PolarHBondContact OG-OG1 2.94Å
963	S	38.3	Very low	65.7	Low	88 Å²	88	85.1 Å²	85.1	62%	0.615	49%	0.489	S	S	*	.			trans	70.9	113.9	179.1	73.2	0	0	0	0	115.7	Q965	S963-Q965 PolarHBondContact O-N 3.31Å
964	G	43.6	Very low	66.1	Low	95 Å²	95	91.1 Å²	91.1	98%	0.979	51%	0.514	S	S	*	.			trans	-69.7	34.3	171	0	0	0	0	0	114.2
965	Q	47.8	Very low	66.6	Low	158 Å²	158	86 Å²	86	74%	0.738	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-86.2	117	170.4	-76.2	-175.3	-22.4	0	0	108.3	S963	S963-Q965 PolarHBondContact O-N 3.31Å
966	G	59.8	Low	67	Low	67 Å²	67	85.1 Å²	85.1	69%	0.691	49%	0.488	S	S	*	.	P	Polyproline II helix	trans	-58.2	163.7	170.5	0	0	0	0	0	111.5	S968	G966-S968 PolarHBondContact O-N 2.84Å
967	V	67.3	Low	67.7	Low	40 Å²	40	84.3 Å²	84.3	24%	0.242	49%	0.485	C	S	.	.	P	Polyproline II helix	trans	-56.6	123.9	178.7	176.5	0	0	0	0	110.5	L952 V955 Q956 R969 M972	L952-V967 HydrophobicContact CD2-CG1 3.67Å; V955-V967 HydrophobicContact CB-CG2 3.99Å; V955-V967 HydrophobicContact CG1-CG2 3.64Å; Q956-V967 HydrophobicContact CB-CG2 4.05Å; V967-R969 PolarHBondContact O-N 2.85Å; V967-M972 HydrophobicContact CG1-CG 3.41Å; V967-M972 VanDerWaalsContact CG1-CG 3.41Å; V967-M972 HydrophobicContact CG1-SD 3.66Å
968	S	76.3	Confident	68.5	Low	53 Å²	53	83.5 Å²	83.5	37%	0.371	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-65.7	129.1	175.7	176.4	0	0	0	0	110.5	G966 R970 D971 M972	G966-S968 PolarHBondContact O-N 2.84Å; S968-R970 PolarHBondContact O-N 2.79Å; S968-R970 VanDerWaalsContact O-N 3.14Å; S968-R970 PolarHBondContact OG-N 2.64Å; S968-D971 PolarHBondContact O-N 3.22Å; S968-M972 PolarHBondContact O-N 2.83Å
969	R	77	Confident	69.8	Low	189 Å²	189	80.4 Å²	80.4	71%	0.713	45%	0.452	S	S	*	.	H	α-helix	trans	-54.2	-33.7	175.9	-177.5	174.7	172.1	164	2.8	112.6	V967 M972 E973	V967-R969 PolarHBondContact O-N 2.85Å; R969-M972 PolarHBondContact O-N 2.88Å; R969-E973 IonicContact CZ-OE1 3.07Å; R969-E973 IonicContact NE-OE1 2.87Å; R969-E973 PolarHBondContact NE-OE1 3.33Å; R969-E973 IonicContact NH2-OE1 3.63Å; R969-E973 WeakPolarHBondContact O-CG 3.28Å; R969-E973 PolarHBondContact O-N 2.83Å
970	R	82.8	Confident	71.5	Confident	191 Å²	191	76 Å²	76	72%	0.721	43%	0.432	S	S	*	.	H	α-helix	trans	-65	-38.3	177.9	-68.4	-177.9	-179.8	179.1	-0.2	112.6	S968 E973 K974	S968-R970 PolarHBondContact O-N 2.79Å; S968-R970 VanDerWaalsContact O-N 3.14Å; S968-R970 PolarHBondContact OG-N 2.64Å; R970-E973 PolarHBondContact O-N 3.27Å; R970-K974 WeakPolarHBondContact O-CG 3.46Å; R970-K974 PolarHBondContact O-N 3Å
971	D	84.3	Confident	73.9	Confident	51 Å²	51	79.7 Å²	79.7	27%	0.273	44%	0.436	S	S	.	.	H	α-helix	trans	-71.4	-36.7	-179.2	-62.5	-23.3	0	0	0	110.7	L952 S968 K974 L975	L952-D971 HydrophobicContact CD2-CB 4.16Å; S968-D971 PolarHBondContact O-N 3.22Å; D971-K974 PolarHBondContact O-N 2.8Å; D971-L975 PolarHBondContact O-N 2.8Å
972	M	83.6	Confident	76.6	Confident	23 Å²	23	72.9 Å²	72.9	11%	0.113	39%	0.394	C	S	.	.	H	α-helix	trans	-65.6	-41.2	173.3	-66.7	-57.6	-69.6	0	0	112.6	L594 L952 V967 S968 R969 L975 S976	L594-M972 HydrophobicContact CB-CE 3.63Å; L594-M972 HydrophobicContact CD2-CE 3.71Å; L594-M972 HydrophobicContact CG-CE 4.3Å; L594-M972 WeakPolarHBondContact O-CE 3.47Å; L952-M972 HydrophobicContact CB-SD 4.07Å; L952-M972 HydrophobicContact CD1-SD 3.75Å; L952-M972 HydrophobicContact CD2-SD 4.26Å; L952-M972 HydrophobicContact CG-SD 4.26Å; V967-M972 HydrophobicContact CG1-CG 3.41Å; V967-M972 VanDerWaalsContact CG1-CG 3.41Å; V967-M972 HydrophobicContact CG1-SD 3.66Å; S968-M972 PolarHBondContact O-N 2.83Å; R969-M972 PolarHBondContact O-N 2.88Å; M972-L975 PolarHBondContact O-N 3.09Å; M972-S976 VanDerWaalsContact O-CB 3.25Å; M972-S976 WeakPolarHBondContact O-CB 3.46Å; M972-S976 PolarHBondContact O-N 3.05Å
973	E	85.3	Confident	79.1	Confident	103 Å²	103	69 Å²	69	48%	0.481	37%	0.369	S	S	.	.	H	α-helix	trans	-64.1	-41.1	175.8	-75.1	171.2	-175.5	0	0	111.3	R969 R970 S976 D977	R969-E973 IonicContact CZ-OE1 3.07Å; R969-E973 IonicContact NE-OE1 2.87Å; R969-E973 PolarHBondContact NE-OE1 3.33Å; R969-E973 IonicContact NH2-OE1 3.63Å; R969-E973 WeakPolarHBondContact O-CG 3.28Å; R969-E973 PolarHBondContact O-N 2.83Å; R970-E973 PolarHBondContact O-N 3.27Å; E973-S976 PolarHBondContact O-N 3.32Å; E973-D977 WeakPolarHBondContact O-CB 3.38Å; E973-D977 PolarHBondContact O-N 3.23Å
974	K	89.5	Confident	81.5	Confident	148 Å²	148	67.9 Å²	67.9	64%	0.643	36%	0.356	S	S	*	.	H	α-helix	trans	-61.1	-48.2	173.8	-75.2	174.6	-179.2	178.8	0	112.3	R970 D971 D977 G978	R970-K974 WeakPolarHBondContact O-CG 3.46Å; R970-K974 PolarHBondContact O-N 3Å; D971-K974 PolarHBondContact O-N 2.8Å; K974-D977 PolarHBondContact O-N 3.02Å; K974-G978 PolarHBondContact O-N 3.4Å
975	L	90.4	Very high	83.5	Confident	4 Å²	4	70.9 Å²	70.9	2%	0.021	34%	0.339	C	S	.	.	H	α-helix	trans	-61.2	-46.8	176.8	175.7	65.3	0	0	0	110.8	F595 L945 E948 W949 L952 D971 M972 D977 G978 L979	F595-L975 HydrophobicContact CE1-CD2 4.11Å; F595-L975 HydrophobicContact CE1-CG 4.41Å; F595-L975 HydrophobicContact CZ-CD2 4.23Å; L945-L975 HydrophobicContact CD2-CD1 4.22Å; E948-L975 HydrophobicContact CB-CD1 4.34Å; E948-L975 HydrophobicContact CG-CD1 4.24Å; W949-L975 HydrophobicContact CB-CD1 4.2Å; W949-L975 HydrophobicContact CB-CD2 3.84Å; W949-L975 HydrophobicContact CG-CD2 4.04Å; L952-L975 HydrophobicContact CD1-CB 4.13Å; L952-L975 HydrophobicContact CD1-CD2 3.78Å; D971-L975 PolarHBondContact O-N 2.8Å; M972-L975 PolarHBondContact O-N 3.09Å; L975-D977 VanDerWaalsContact C-N 3.33Å; L975-D977 PolarHBondContact O-N 3.08Å; L975-G978 PolarHBondContact O-N 3.19Å; L975-L979 HydrophobicContact CD1-CD1 4.07Å; L975-L979 HydrophobicContact CD1-CG 4.02Å; L975-L979 HydrophobicContact CD2-CD1 4.41Å; L975-L979 HydrophobicContact CG-CD1 3.89Å; L975-L979 HydrophobicContact CG-CG 4.27Å; L975-L979 WeakPolarHBondContact O-CB 3.49Å; L975-L979 VanDerWaalsContact O-CG 3.32Å; L975-L979 WeakPolarHBondContact O-CG 3.35Å; L975-L979 PolarHBondContact O-N 2.63Å
976	S	89.9	Confident	85.4	Confident	26 Å²	26	64.8 Å²	64.8	18%	0.182	31%	0.312	C	S	.	.	H	α-helix	trans	-58.4	-44.8	179.6	-178.7	0	0	0	0	111.8	L802 M972 E973 V980	L802-S976 WeakPolarHBondContact CD1-OG 3.48Å; M972-S976 VanDerWaalsContact O-CB 3.25Å; M972-S976 WeakPolarHBondContact O-CB 3.46Å; M972-S976 PolarHBondContact O-N 3.05Å; E973-S976 PolarHBondContact O-N 3.32Å; S976-V980 WeakPolarHBondContact O-CB 3.28Å; S976-V980 VanDerWaalsContact O-CG2 3.23Å; S976-V980 WeakPolarHBondContact O-CG2 3.48Å; S976-V980 PolarHBondContact O-N 2.61Å
977	D	90.4	Very high	86.6	Confident	38 Å²	38	68 Å²	68	20%	0.203	31%	0.309	C	S	.	.	H	α-helix	trans	-66.9	-41.6	177.1	-177.8	50.6	0	0	0	111.7	R798 E973 K974 L975 L979 V980 R981	R798-D977 IonicContact CZ-OD1 3.43Å; R798-D977 IonicContact NH1-OD1 3.15Å; R798-D977 PolarHBondContact NH1-OD1 3.27Å; R798-D977 IonicContact NH2-OD1 3.31Å; R798-D977 PolarHBondContact NH2-OD1 2.84Å; E973-D977 WeakPolarHBondContact O-CB 3.38Å; E973-D977 PolarHBondContact O-N 3.23Å; K974-D977 PolarHBondContact O-N 3.02Å; L975-D977 VanDerWaalsContact C-N 3.33Å; L975-D977 PolarHBondContact O-N 3.08Å; D977-L979 PolarHBondContact O-N 2.91Å; D977-V980 PolarHBondContact O-N 2.73Å; D977-R981 WeakPolarHBondContact O-CB 3.48Å; D977-R981 VanDerWaalsContact O-CG 3.3Å; D977-R981 WeakPolarHBondContact O-CG 3.34Å; D977-R981 PolarHBondContact O-N 2.68Å; D977-R981 IonicContact OD1-CZ 2.65Å; D977-R981 IonicContact OD1-NE 3.12Å; D977-R981 PolarHBondContact OD1-NE 2.88Å; D977-R981 IonicContact OD1-NH2 2.87Å; D977-R981 IonicContact OD2-CZ 3.15Å; D977-R981 IonicContact OD2-NE 2.66Å; D977-R981 PolarHBondContact OD2-NE 3.34Å; D977-R981 IonicContact OD2-NH1 3.76Å; D977-R981 IonicContact OD2-NH2 3.91Å; D977-R981 PolarHBondContact OD2-NH2 3.24Å
978	G	92	Very high	87.6	Confident	11 Å²	11	66.6 Å²	66.6	11%	0.113	30%	0.3	C	S	.	.	H	α-helix	trans	-58.9	-45.3	174.3	0	0	0	0	0	113.3	K974 L975 R981 F982	K974-G978 PolarHBondContact O-N 3.4Å; L975-G978 PolarHBondContact O-N 3.19Å; G978-R981 PolarHBondContact O-N 3.36Å; G978-F982 WeakPolarHBondContact O-CB 3.37Å; G978-F982 PolarHBondContact O-N 3.23Å
979	L	93.3	Very high	88.2	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-65.2	-44.8	177	-70.8	172.3	0	0	0	111.9	F595 L802 L805 L905 L945 W949 L975 D977 R981 F982 L983	F595-L979 HydrophobicContact CE1-CD1 3.74Å; F595-L979 HydrophobicContact CZ-CD1 3.77Å; L802-L979 HydrophobicContact CD2-CB 4.01Å; L802-L979 HydrophobicContact CD2-CD1 4.41Å; L805-L979 HydrophobicContact CD2-CB 4.39Å; L805-L979 HydrophobicContact CD2-CD1 4.15Å; L805-L979 HydrophobicContact CD2-CD2 3.97Å; L805-L979 HydrophobicContact CD2-CG 4.41Å; L905-L979 HydrophobicContact CD1-CD2 3.9Å; L905-L979 HydrophobicContact CD2-CD2 4.03Å; L945-L979 HydrophobicContact CB-CD2 4.14Å; L945-L979 HydrophobicContact CD1-CD2 4.34Å; W949-L979 HydrophobicContact CE3-CD1 4.3Å; W949-L979 HydrophobicContact CE3-CD2 4.31Å; L975-L979 HydrophobicContact CD1-CD1 4.07Å; L975-L979 HydrophobicContact CD1-CG 4.02Å; L975-L979 HydrophobicContact CD2-CD1 4.41Å; L975-L979 HydrophobicContact CG-CD1 3.89Å; L975-L979 HydrophobicContact CG-CG 4.27Å; L975-L979 WeakPolarHBondContact O-CB 3.49Å; L975-L979 VanDerWaalsContact O-CG 3.32Å; L975-L979 WeakPolarHBondContact O-CG 3.35Å; L975-L979 PolarHBondContact O-N 2.63Å; D977-L979 PolarHBondContact O-N 2.91Å; L979-R981 VanDerWaalsContact C-N 3.34Å; L979-R981 PolarHBondContact O-N 3.12Å; L979-F982 PolarHBondContact O-N 3.39Å; L979-L983 WeakPolarHBondContact O-CB 3.44Å; L979-L983 VanDerWaalsContact O-CG 3.25Å; L979-L983 WeakPolarHBondContact O-CG 3.38Å; L979-L983 PolarHBondContact O-N 2.86Å
980	V	92.3	Very high	88.9	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-61	-45.9	177.2	168.8	0	0	0	0	110.7	R798 L802 S976 D977 F982 L983 L984	R798-V980 HydrophobicContact CB-CG1 4.02Å; R798-V980 HydrophobicContact CB-CG2 4.23Å; R798-V980 HydrophobicContact CG-CG1 3.83Å; L802-V980 HydrophobicContact CD1-CG2 3.65Å; L802-V980 HydrophobicContact CD2-CG2 3.84Å; L802-V980 HydrophobicContact CG-CG2 3.5Å; S976-V980 WeakPolarHBondContact O-CB 3.28Å; S976-V980 VanDerWaalsContact O-CG2 3.23Å; S976-V980 WeakPolarHBondContact O-CG2 3.48Å; S976-V980 PolarHBondContact O-N 2.61Å; D977-V980 PolarHBondContact O-N 2.73Å; V980-F982 VanDerWaalsContact C-N 3.31Å; V980-F982 PolarHBondContact O-N 2.98Å; V980-L983 PolarHBondContact O-N 3.01Å; V980-L984 HydrophobicContact CG1-CD1 3.84Å; V980-L984 HydrophobicContact CG1-CG 4.44Å; V980-L984 WeakPolarHBondContact O-CB 3.42Å; V980-L984 PolarHBondContact O-N 3.09Å
981	R	92.8	Very high	89.3	Confident	141 Å²	141	48.6 Å²	48.6	53%	0.532	23%	0.233	S	C	.	.	H	α-helix	trans	-61.7	-43.7	179.1	-72.1	177.5	-166.4	-173.1	3.1	111.4	D977 G978 L979 L983 Y985	D977-R981 WeakPolarHBondContact O-CB 3.48Å; D977-R981 VanDerWaalsContact O-CG 3.3Å; D977-R981 WeakPolarHBondContact O-CG 3.34Å; D977-R981 PolarHBondContact O-N 2.68Å; D977-R981 IonicContact OD1-CZ 2.65Å; D977-R981 IonicContact OD1-NE 3.12Å; D977-R981 PolarHBondContact OD1-NE 2.88Å; D977-R981 IonicContact OD1-NH2 2.87Å; D977-R981 IonicContact OD2-CZ 3.15Å; D977-R981 IonicContact OD2-NE 2.66Å; D977-R981 PolarHBondContact OD2-NE 3.34Å; D977-R981 IonicContact OD2-NH1 3.76Å; D977-R981 IonicContact OD2-NH2 3.91Å; D977-R981 PolarHBondContact OD2-NH2 3.24Å; G978-R981 PolarHBondContact O-N 3.36Å; L979-R981 VanDerWaalsContact C-N 3.34Å; L979-R981 PolarHBondContact O-N 3.12Å; R981-L983 PolarHBondContact O-N 3.24Å; R981-Y985 HydrophobicContact CB-CD2 4.07Å; R981-Y985 HydrophobicContact CG-CD2 4.03Å; R981-Y985 HydrophobicContact CG-CE2 4.26Å; R981-Y985 WeakPolarHBondContact O-CB 3.48Å; R981-Y985 PolarHBondContact O-N 3.27Å
982	F	93.7	Very high	89.6	Confident	5 Å²	5	47.1 Å²	47.1	2%	0.022	23%	0.225	C	C	.	.	H	α-helix	trans	-61.9	-41.3	177.1	-175.8	-102.7	0	0	0	112.6	Q901 L904 L905 V938 K941 A942 L945 G978 L979 V980 T986	Q901-F982 HydrophobicContact CB-CD1 4.08Å; Q901-F982 HydrophobicContact CB-CE1 3.71Å; Q901-F982 HydrophobicContact CB-CZ 4.49Å; Q901-F982 HydrophobicContact CG-CD1 4.36Å; Q901-F982 HydrophobicContact CG-CE1 4.08Å; L904-F982 HydrophobicContact CD1-CZ 4.34Å; L905-F982 HydrophobicContact CD1-CD1 3.77Å; L905-F982 HydrophobicContact CD1-CE1 3.98Å; L905-F982 HydrophobicContact CD2-CD1 4.44Å; L905-F982 HydrophobicContact CD2-CE1 4.35Å; L905-F982 HydrophobicContact CG-CD1 4.16Å; L905-F982 HydrophobicContact CG-CE1 3.92Å; V938-F982 HydrophobicContact CG1-CE2 3.85Å; V938-F982 HydrophobicContact CG1-CZ 3.91Å; K941-F982 HydrophobicContact CB-CD2 4.29Å; K941-F982 HydrophobicContact CB-CE2 4.34Å; K941-F982 HydrophobicContact CG-CD2 3.94Å; K941-F982 HydrophobicContact CG-CE2 4.48Å; A942-F982 HydrophobicContact CB-CE1 4.34Å; A942-F982 HydrophobicContact CB-CE2 4.16Å; A942-F982 HydrophobicContact CB-CZ 3.72Å; L945-F982 HydrophobicContact CD1-CB 3.62Å; L945-F982 HydrophobicContact CD1-CD1 4.47Å; L945-F982 HydrophobicContact CD1-CD2 4.27Å; L945-F982 HydrophobicContact CD1-CG 3.88Å; G978-F982 WeakPolarHBondContact O-CB 3.37Å; G978-F982 PolarHBondContact O-N 3.23Å; L979-F982 PolarHBondContact O-N 3.39Å; V980-F982 VanDerWaalsContact C-N 3.31Å; V980-F982 PolarHBondContact O-N 2.98Å; F982-T986 WeakPolarHBondContact CA-OG1 3.42Å; F982-T986 WeakPolarHBondContact O-CB 3.02Å; F982-T986 PolarHBondContact O-OG1 3.31Å
983	L	90.8	Very high	90	Very high	17 Å²	17	47.8 Å²	47.8	9%	0.089	23%	0.228	C	C	.	.	H	α-helix	trans	-73.9	-33.9	-179.3	-71.5	168.3	0	0	0	114.2	A801 L805 P898 Q901 L905 L979 V980 R981	A801-L983 HydrophobicContact CB-CB 4.47Å; A801-L983 HydrophobicContact CB-CD1 4.17Å; L805-L983 HydrophobicContact CB-CD1 3.92Å; L805-L983 HydrophobicContact CD2-CD1 3.96Å; L805-L983 HydrophobicContact CG-CD1 4.47Å; P898-L983 HydrophobicContact CG-CD2 4.2Å; Q901-L983 HydrophobicContact CB-CD2 3.94Å; L905-L983 HydrophobicContact CD1-CD2 4.38Å; L979-L983 WeakPolarHBondContact O-CB 3.44Å; L979-L983 VanDerWaalsContact O-CG 3.25Å; L979-L983 WeakPolarHBondContact O-CG 3.38Å; L979-L983 PolarHBondContact O-N 2.86Å; V980-L983 PolarHBondContact O-N 3.01Å; R981-L983 PolarHBondContact O-N 3.24Å
984	L	87.9	Confident	90.3	Very high	65 Å²	65	45.3 Å²	45.3	34%	0.34	21%	0.214	S	C	.	.	H	α-helix	trans	-104.4	-26.5	-170.9	-65.8	-177.3	0	0	0	114.6	A801 V980	A801-L984 HydrophobicContact CB-CD1 4.24Å; A801-L984 HydrophobicContact CB-CD2 3.98Å; A801-L984 HydrophobicContact CB-CG 4.05Å; V980-L984 HydrophobicContact CG1-CD1 3.84Å; V980-L984 HydrophobicContact CG1-CG 4.44Å; V980-L984 WeakPolarHBondContact O-CB 3.42Å; V980-L984 PolarHBondContact O-N 3.09Å
985	Y	86.8	Confident	90.3	Very high	159 Å²	159	38.6 Å²	38.6	62%	0.624	19%	0.185	S	C	*	.	H	α-helix	trans	-117.7	1.8	-172.6	-53.7	-62.3	0	0	0	113.8	R981 E987	R981-Y985 HydrophobicContact CB-CD2 4.07Å; R981-Y985 HydrophobicContact CG-CD2 4.03Å; R981-Y985 HydrophobicContact CG-CE2 4.26Å; R981-Y985 WeakPolarHBondContact O-CB 3.48Å; R981-Y985 PolarHBondContact O-N 3.27Å; Y985-E987 PolarHBondContact O-N 3.41Å
986	T	87.5	Confident	90.1	Very high	29 Å²	29	42 Å²	42	18%	0.178	21%	0.206	C	C	.	.			trans	-87.9	101.4	172.5	-48.2	0	0	0	0	108.9	Q901 V938 F982 V988	Q901-T986 PolarHBondContact NE2-O 3.43Å; V938-T986 HydrophobicContact CG1-CG2 4.33Å; V938-T986 HydrophobicContact CG2-CG2 3.52Å; F982-T986 WeakPolarHBondContact CA-OG1 3.42Å; F982-T986 WeakPolarHBondContact O-CB 3.02Å; F982-T986 PolarHBondContact O-OG1 3.31Å; T986-V988 HydrophobicContact CG2-CG2 4.23Å
987	E	85.3	Confident	89.8	Confident	136 Å²	136	44.5 Å²	44.5	64%	0.636	23%	0.228	S	C	*	.			trans	-105.5	111.5	173	-63.7	-171.6	161.4	0	0	108.5	Y985	Y985-E987 PolarHBondContact O-N 3.41Å
988	V	87.2	Confident	89.4	Confident	9 Å²	9	48.5 Å²	48.5	6%	0.055	25%	0.249	C	C	.	.			trans	-135.8	135.7	177	168.8	0	0	0	0	107.4	S873 L900 V929 E934 V938 T986 Y990	S873-V988 WeakPolarHBondContact CA-O 3.4Å; S873-V988 WeakPolarHBondContact CB-O 3.23Å; L900-V988 HydrophobicContact CD2-CB 4.27Å; L900-V988 HydrophobicContact CD2-CG1 4.38Å; V929-V988 HydrophobicContact CG1-CG1 3.53Å; V929-V988 HydrophobicContact CG2-CG1 4.41Å; E934-V988 HydrophobicContact CB-CG1 4.32Å; E934-V988 HydrophobicContact CB-CG2 4.2Å; V938-V988 HydrophobicContact CG2-CB 4.46Å; V938-V988 HydrophobicContact CG2-CG2 3.49Å; V938-V988 VanDerWaalsContact CG2-CG2 3.49Å; T986-V988 HydrophobicContact CG2-CG2 4.23Å; V988-Y990 VanDerWaalsContact O-CD1 3.31Å; V988-Y990 WeakPolarHBondContact O-CD1 3.34Å
989	S	89.6	Confident	89.1	Confident	44 Å²	44	51.4 Å²	51.4	31%	0.308	26%	0.26	S	S	.	.			trans	-84.8	124.4	177	-168.2	0	0	0	0	110.3
990	Y	91.6	Very high	88.6	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	156	-179.5	64.3	-78.6	0	0	0	112.3	D871 S872 H875 A899 L900 L927 E928 V988 L992	D871-Y990 WeakPolarHBondContact CA-O 3.46Å; S872-Y990 PolarHBondContact N-O 2.96Å; S872-Y990 VanDerWaalsContact N-O 3.07Å; S872-Y990 WeakPolarHBondContact O-CD1 3.33Å; S872-Y990 WeakPolarHBondContact O-CE1 3.22Å; S872-Y990 PolarHBondContact O-N 2.89Å; H875-Y990 HydrophobicContact CB-CE2 3.93Å; H875-Y990 WeakPolarHBondContact CB-OH 3.47Å; H875-Y990 AromaticContact CD2-CD2 3.86Å; H875-Y990 AromaticContact CD2-CE2 3.56Å; H875-Y990 AromaticContact CD2-CZ 3.8Å; H875-Y990 PolarHBondContact CD2-O 3.36Å; H875-Y990 VanDerWaalsContact CD2-O 3.26Å; H875-Y990 PolarHBondContact NE2-O 2.89Å; A899-Y990 HydrophobicContact CB-CE2 4.41Å; A899-Y990 WeakPolarHBondContact CB-OH 3.44Å; L900-Y990 HydrophobicContact CB-CD1 4.2Å; L900-Y990 HydrophobicContact CB-CD2 4.43Å; L900-Y990 HydrophobicContact CB-CE1 3.61Å; L900-Y990 HydrophobicContact CB-CE2 3.85Å; L900-Y990 WeakPolarHBondContact CB-OH 3.26Å; L900-Y990 HydrophobicContact CD2-CD1 3.8Å; L900-Y990 HydrophobicContact CD2-CE1 3.89Å; L900-Y990 HydrophobicContact CD2-CG 4.35Å; L900-Y990 HydrophobicContact CG-CE1 4.38Å; L900-Y990 PolarHBondContact N-OH 3.13Å; L927-Y990 HydrophobicContact CD2-CD2 3.48Å; L927-Y990 VanDerWaalsContact CD2-CD2 3.48Å; L927-Y990 HydrophobicContact CD2-CE2 3.44Å; L927-Y990 VanDerWaalsContact CD2-CE2 3.44Å; E928-Y990 CarbonylContact O-C 3.53Å; E928-Y990 WeakPolarHBondContact O-CA 3.23Å; E928-Y990 VanDerWaalsContact O-CB 3.26Å; E928-Y990 WeakPolarHBondContact O-CB 3.42Å; V988-Y990 VanDerWaalsContact O-CD1 3.31Å; V988-Y990 WeakPolarHBondContact O-CD1 3.34Å; Y990-L992 HydrophobicContact CD2-CB 4.35Å; Y990-L992 HydrophobicContact CE2-CB 4.16Å
991	S	91.4	Very high	88.1	Confident	12 Å²	12	61.3 Å²	61.3	8%	0.084	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	144.3	167.1	94.6	0	0	0	0	109.2	D871 L927 E928	D871-S991 WeakPolarHBondContact OD1-CA 3.31Å; D871-S991 WeakPolarHBondContact OD1-CB 3.48Å; D871-S991 PolarHBondContact OD1-N 2.66Å; L927-S991 WeakPolarHBondContact CA-O 3.43Å; E928-S991 WeakPolarHBondContact CB-OG 3.24Å; E928-S991 PolarHBondContact N-O 2.82Å; E928-S991 VanDerWaalsContact N-O 3.09Å; E928-S991 PolarHBondContact O-N 2.9Å
992	L	91.4	Very high	87.6	Confident	20 Å²	20	60 Å²	60	11%	0.105	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	120.8	175.1	171.3	64.6	0	0	0	108.8	L817 H875 L877 A899 L925 L927 Y990	L817-L992 HydrophobicContact CD1-CD1 4.22Å; L817-L992 HydrophobicContact CD1-CD2 3.44Å; L817-L992 VanDerWaalsContact CD1-CD2 3.44Å; L817-L992 HydrophobicContact CD1-CG 3.62Å; H875-L992 HydrophobicContact CB-CB 4.44Å; H875-L992 HydrophobicContact CB-CD2 3.95Å; L877-L992 HydrophobicContact CD2-CD2 4.08Å; A899-L992 HydrophobicContact CB-CD2 3.66Å; L925-L992 HydrophobicContact CD2-CD1 4.37Å; L927-L992 HydrophobicContact CD2-CB 4.27Å; L927-L992 HydrophobicContact CD2-CD1 3.6Å; L927-L992 HydrophobicContact CD2-CG 4.43Å; L927-L992 HydrophobicContact CG-CD1 4.23Å; Y990-L992 HydrophobicContact CD2-CB 4.35Å; Y990-L992 HydrophobicContact CE2-CB 4.16Å
993	Q	90.6	Very high	87.1	Confident	37 Å²	37	59.9 Å²	59.9	17%	0.173	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	161.7	176	66.5	-178.1	-8.7	0	0	112.8	R870 E926	R870-Q993 VanDerWaalsContact NH1-OE1 3.1Å; E926-Q993 HydrophobicContact CB-CG 4.17Å; E926-Q993 PolarHBondContact N-O 2.94Å; E926-Q993 PolarHBondContact O-N 2.77Å; E926-Q993 PolarHBondContact OE1-NE2 2.82Å
994	R	91.5	Very high	87	Confident	50 Å²	50	62 Å²	62	19%	0.189	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	132.5	170.5	174.9	178.1	-177	173.2	14.3	109.7	L817 T834 R835 Q838 W924	L817-R994 HydrophobicContact CD2-CB 3.74Å; T834-R994 PolarHBondContact O-NH2 2.95Å; R835-R994 PolarHBondContact O-NH2 3.46Å; Q838-R994 VanDerWaalsContact NE2-CZ 3.25Å; W924-R994 HydrophobicContact CE3-CG 4.1Å; W924-R994 HydrophobicContact CZ3-CG 4.47Å
995	L	90.6	Very high	86.7	Confident	8 Å²	8	62.5 Å²	62.5	4%	0.042	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-69.3	135.9	172.5	-67.7	173.1	0	0	0	111.5	V920 W924 E926 Q999 L1003	V920-L995 HydrophobicContact CG1-CD1 3.67Å; V920-L995 HydrophobicContact CG2-CD1 4.32Å; W924-L995 PolarHBondContact O-N 3.4Å; E926-L995 HydrophobicContact CB-CD2 3.84Å; E926-L995 HydrophobicContact CB-CG 4.04Å; E926-L995 HydrophobicContact CG-CD2 4.44Å; L995-Q999 HydrophobicContact CD2-CB 4.12Å; L995-L1003 HydrophobicContact CD1-CD1 4.01Å; L995-L1003 HydrophobicContact CD1-CD2 4.16Å
996	T	86.6	Confident	86.4	Confident	74 Å²	74	55.7 Å²	55.7	45%	0.454	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-75.6	160.5	170.9	63.4	0	0	0	0	111	L998 Q999 T1000	T996-L998 PolarHBondContact O-N 2.83Å; T996-Q999 PolarHBondContact O-N 3.47Å; T996-Q999 WeakPolarHBondContact OG1-CG 3.47Å; T996-Q999 PolarHBondContact OG1-N 3.37Å; T996-Q999 PolarHBondContact OG1-OE1 2.88Å; T996-T1000 PolarHBondContact O-N 2.7Å; T996-T1000 PolarHBondContact O-OG1 3.12Å
997	A	82.6	Confident	85.8	Confident	79 Å²	79	58.9 Å²	58.9	65%	0.653	33%	0.326	S	S	*	.	H	α-helix	trans	-57.9	-34.8	177.2	0	0	0	0	0	112.4	Q1001	A997-Q1001 WeakPolarHBondContact O-CG 3.27Å; A997-Q1001 PolarHBondContact O-N 3.33Å
998	L	82.4	Confident	84.8	Confident	123 Å²	123	56.8 Å²	56.8	64%	0.644	32%	0.316	S	S	*	.	H	α-helix	trans	-68.8	-45.9	177.6	-173.5	71.1	0	0	0	111.9	T996 T1000 Q1001	T996-L998 PolarHBondContact O-N 2.83Å; L998-T1000 VanDerWaalsContact C-N 3.26Å; L998-T1000 PolarHBondContact O-N 3.17Å; L998-Q1001 PolarHBondContact O-N 2.6Å
999	Q	84.7	Confident	82.9	Confident	71 Å²	71	61.6 Å²	61.6	33%	0.332	36%	0.356	S	S	.	.	H	α-helix	trans	-63.3	-35.1	177.3	-72.4	164.5	-46.9	0	0	111.9	L995 T996 Q1001 N1002 L1003	L995-Q999 HydrophobicContact CD2-CB 4.12Å; T996-Q999 PolarHBondContact O-N 3.47Å; T996-Q999 WeakPolarHBondContact OG1-CG 3.47Å; T996-Q999 PolarHBondContact OG1-N 3.37Å; T996-Q999 PolarHBondContact OG1-OE1 2.88Å; Q999-Q1001 VanDerWaalsContact C-N 3.27Å; Q999-Q1001 PolarHBondContact O-N 2.78Å; Q999-N1002 PolarHBondContact O-N 2.99Å; Q999-L1003 WeakPolarHBondContact O-CB 3.47Å; Q999-L1003 PolarHBondContact O-N 3.48Å
1000	T	82.7	Confident	81	Confident	58 Å²	58	64.4 Å²	64.4	36%	0.356	37%	0.368	S	S	.	.	H	α-helix	trans	-65.6	-29.9	178.3	-48.7	0	0	0	0	112.1	T996 L998	T996-T1000 PolarHBondContact O-N 2.7Å; T996-T1000 PolarHBondContact O-OG1 3.12Å; L998-T1000 VanDerWaalsContact C-N 3.26Å; L998-T1000 PolarHBondContact O-N 3.17Å
1001	Q	82.2	Confident	78.9	Confident	151 Å²	151	67.2 Å²	67.2	71%	0.706	39%	0.386	S	S	*	.	H	α-helix	trans	-71.7	-34.4	178.8	-73.1	175.7	1	0	0	113	A997 L998 Q999	A997-Q1001 WeakPolarHBondContact O-CG 3.27Å; A997-Q1001 PolarHBondContact O-N 3.33Å; L998-Q1001 PolarHBondContact O-N 2.6Å; Q999-Q1001 VanDerWaalsContact C-N 3.27Å; Q999-Q1001 PolarHBondContact O-N 2.78Å
1002	N	81.8	Confident	76.5	Confident	114 Å²	114	72.9 Å²	72.9	61%	0.61	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.5	29.5	-177.2	-63.8	-21.9	0	0	0	111.9	Q999 T1051	Q999-N1002 PolarHBondContact O-N 2.99Å; N1002-T1051 PolarHBondContact O-OG1 3.37Å
1003	L	85	Confident	74.2	Confident	1 Å²	1	76.2 Å²	76.2	1%	0.005	44%	0.44	C	S	.	.			trans	-79	-38	-171	-171	66.9	0	0	0	113	V920 L995 Q999 L1050 T1051	V920-L1003 HydrophobicContact CB-CD2 4.45Å; V920-L1003 HydrophobicContact CG1-CD2 3.74Å; V920-L1003 HydrophobicContact CG2-CD1 3.98Å; V920-L1003 HydrophobicContact CG2-CD2 4.43Å; L995-L1003 HydrophobicContact CD1-CD1 4.01Å; L995-L1003 HydrophobicContact CD1-CD2 4.16Å; Q999-L1003 WeakPolarHBondContact O-CB 3.47Å; Q999-L1003 PolarHBondContact O-N 3.48Å; L1003-L1050 HydrophobicContact CD1-CD2 4.19Å; L1003-L1050 HydrophobicContact CD2-CD2 4.42Å; L1003-L1050 HydrophobicContact CG-CD2 3.9Å; L1003-L1050 WeakPolarHBondContact O-CA 3.38Å; L1003-T1051 PolarHBondContact O-N 3.15Å; L1003-T1051 PolarHBondContact O-OG1 3.35Å
1004	Y	87.6	Confident	72.1	Confident	63 Å²	63	78.9 Å²	78.9	25%	0.247	46%	0.459	C	S	.	.	B	Isolated β-bridge	trans	-110.4	146.7	-167.7	-61.3	-68	0	0	0	111.8	D911 G1006 K1036 C1049 L1050 T1051	D911-Y1004 HydrophobicContact CB-CE1 4.06Å; D911-Y1004 WeakPolarHBondContact OD2-CE1 3.23Å; D911-Y1004 PolarHBondContact OD2-OH 2.93Å; Y1004-G1006 PolarHBondContact O-N 3.36Å; Y1004-K1036 HydrophobicContact CD1-CB 3.77Å; Y1004-K1036 HydrophobicContact CD1-CD 4.11Å; Y1004-K1036 HydrophobicContact CD1-CG 3.86Å; Y1004-K1036 HydrophobicContact CD2-CG 4.25Å; Y1004-K1036 HydrophobicContact CE1-CB 4.18Å; Y1004-K1036 HydrophobicContact CE1-CD 3.62Å; Y1004-K1036 HydrophobicContact CE1-CG 3.85Å; Y1004-K1036 HydrophobicContact CE2-CD 4.49Å; Y1004-K1036 HydrophobicContact CE2-CG 4.23Å; Y1004-K1036 HydrophobicContact CG-CB 4.06Å; Y1004-K1036 HydrophobicContact CG-CG 4.07Å; Y1004-C1049 VanDerWaalsContact CA-O 3.29Å; Y1004-C1049 WeakPolarHBondContact CA-O 3.33Å; Y1004-C1049 HydrophobicContact CD1-CB 4.44Å; Y1004-L1050 HydrophobicContact CD1-CD2 4.11Å; Y1004-L1050 HydrophobicContact CE1-CD2 3.99Å; Y1004-T1051 VanDerWaalsContact C-CG2 3.46Å; Y1004-T1051 WeakPolarHBondContact O-CG2 3.19Å
1005	V	82.6	Confident	70.1	Confident	75 Å²	75	79.1 Å²	79.1	46%	0.455	46%	0.461	S	S	.	.			trans	-64.6	-29.9	177.5	-178.6	0	0	0	0	111.4	C1049 L1050 T1051	V1005-C1049 PolarHBondContact N-O 2.94Å; V1005-L1050 WeakPolarHBondContact CG2-O 3.38Å; V1005-T1051 HydrophobicContact CG2-CG2 4.28Å
1006	G	79.3	Confident	67.7	Low	16 Å²	16	83.6 Å²	83.6	17%	0.165	49%	0.493	C	S	.	.			trans	84.3	174.2	-178.2	0	0	0	0	0	113.1	Y1004 Q1008 K1036 G1037	Y1004-G1006 PolarHBondContact O-N 3.36Å; G1006-Q1008 PolarHBondContact O-N 2.84Å; G1006-K1036 PolarHBondContact N-O 3.32Å; G1006-K1036 VanDerWaalsContact N-O 3.09Å; G1006-G1037 WeakPolarHBondContact O-CA 3.35Å
1007	P	74.5	Confident	65.9	Low	96 Å²	96	85.9 Å²	85.9	62%	0.623	50%	0.498	S	S	*	.			trans	-64.7	124.7	-178.9	24.1	-30.9	0	0	0	111
1008	Q	65.4	Low	64.5	Low	91 Å²	91	85 Å²	85	43%	0.425	48%	0.482	S	S	.	.			trans	-78.1	141.6	176.8	-67.6	-170.2	-10.3	0	0	110.9	G1006 D1010	G1006-Q1008 PolarHBondContact O-N 2.84Å; Q1008-D1010 VanDerWaalsContact C-N 3.27Å; Q1008-D1010 PolarHBondContact O-N 2.83Å
1009	A	47.3	Very low	63.3	Low	110 Å²	110	81.1 Å²	81.1	91%	0.909	46%	0.464	S	S	*	.	S	Bend	trans	-72.9	-12	-170.4	0	0	0	0	0	115
1010	D	50.2	Low	62	Low	103 Å²	103	83.2 Å²	83.2	55%	0.551	48%	0.478	S	S	*	.			trans	-143	84.4	-177.9	-139.4	-12.8	0	0	0	110.8	Q1008 D1012	Q1008-D1010 VanDerWaalsContact C-N 3.27Å; Q1008-D1010 PolarHBondContact O-N 2.83Å; D1010-D1012 VanDerWaalsContact C-N 3.29Å; D1010-D1012 PolarHBondContact O-N 2.65Å
1011	P	47	Very low	61.1	Low	59 Å²	59	80.8 Å²	80.8	38%	0.383	46%	0.462	S	S	.	.	H	α-helix	trans	-70.8	-22.9	-175.3	25	-31.1	0	0	0	113.5	P1032	P1011-P1032 HydrophobicContact CB-CG 4.42Å
1012	D	41.4	Very low	59.9	Low	132 Å²	132	76 Å²	76	71%	0.706	45%	0.445	S	S	*	.	H	α-helix	trans	-84.8	-21.8	-170.7	-71.9	-24.2	0	0	0	113.8	D1010 S1016	D1010-D1012 VanDerWaalsContact C-N 3.29Å; D1010-D1012 PolarHBondContact O-N 2.65Å; D1012-S1016 WeakPolarHBondContact O-CB 3.45Å
1013	S	42.9	Very low	58.7	Low	89 Å²	89	76.2 Å²	76.2	62%	0.622	45%	0.446	S	S	*	.	H	α-helix	trans	-88.3	-20.1	-177.8	80.7	0	0	0	0	114.6
1014	V	46.2	Very low	57.4	Low	94 Å²	94	77.2 Å²	77.2	57%	0.57	45%	0.451	S	S	*	.	H	α-helix	trans	-107.3	-23.9	-175.8	-176.3	0	0	0	0	112.5
1015	Y	49.7	Very low	56.2	Low	55 Å²	55	74.6 Å²	74.6	22%	0.216	44%	0.441	C	S	.	.	S	Bend	trans	-120.3	14.4	-171.9	-60.1	-77.3	0	0	0	114.7	E1017 L1018	Y1015-E1017 PolarHBondContact O-N 3.34Å; Y1015-E1017 VanDerWaalsContact O-N 3.09Å; Y1015-L1018 HydrophobicContact CD1-CD2 4.49Å
1016	S	39.8	Very low	54.9	Low	102 Å²	102	75.8 Å²	75.8	71%	0.713	45%	0.451	S	S	*	.	S	Bend	trans	-62.1	-12.2	179.7	172.7	0	0	0	0	115.3	D1012	D1012-S1016 WeakPolarHBondContact O-CB 3.45Å
1017	E	48.8	Very low	53.6	Low	121 Å²	121	79 Å²	79	57%	0.565	48%	0.483	S	S	*	.	S	Bend	trans	-130	65.8	-178.8	-66.8	-171.9	156.4	0	0	110.7	Y1015 R1116	Y1015-E1017 PolarHBondContact O-N 3.34Å; Y1015-E1017 VanDerWaalsContact O-N 3.09Å; E1017-R1116 IonicContact OE2-CZ 3.56Å; E1017-R1116 IonicContact OE2-NE 2.75Å; E1017-R1116 IonicContact OE2-NH1 3.93Å; E1017-R1116 PolarHBondContact OE2-NH1 3.44Å
1018	L	53.7	Low	52.9	Low	62 Å²	62	76.1 Å²	76.1	33%	0.325	47%	0.467	S	S	.	.			trans	-76.8	131	175.5	-76.9	162.7	0	0	0	111.1	Y1015 L1039	Y1015-L1018 HydrophobicContact CD1-CD2 4.49Å; L1018-L1039 HydrophobicContact CD1-CD1 3.88Å; L1018-L1039 HydrophobicContact CD2-CD1 3.48Å; L1018-L1039 VanDerWaalsContact CD2-CD1 3.48Å; L1018-L1039 HydrophobicContact CD2-CD2 3.64Å; L1018-L1039 HydrophobicContact CD2-CG 4.21Å; L1018-L1039 HydrophobicContact CG-CD1 4.34Å
1019	P	55.9	Low	52.6	Low	40 Å²	40	78.5 Å²	78.5	26%	0.26	48%	0.479	S	S	.	.			trans	-62.6	141.1	174.2	22.6	-29.6	0	0	0	110.8	L1021 E1080	P1019-L1021 HydrophobicContact CB-CD2 4.43Å; P1019-L1021 HydrophobicContact CG-CD2 4.28Å; P1019-L1021 PolarHBondContact O-N 2.77Å; P1019-E1080 HydrophobicContact CG-CG 4.32Å
1020	D	57.6	Low	53.6	Low	116 Å²	116	74.7 Å²	74.7	62%	0.62	44%	0.444	S	S	*	.			trans	-70.1	93.8	175.5	-178.3	4.1	0	0	0	109.9	S1022 H1083	D1020-S1022 VanDerWaalsContact CG-OG 3.24Å; D1020-S1022 PolarHBondContact O-N 2.84Å; D1020-S1022 WeakPolarHBondContact OD1-CB 3.39Å; D1020-S1022 PolarHBondContact OD1-N 2.9Å; D1020-S1022 VanDerWaalsContact OD1-N 3.08Å; D1020-S1022 PolarHBondContact OD1-OG 2.81Å; D1020-S1022 PolarHBondContact OD2-OG 2.8Å; D1020-H1083 PolarHBondContact O-CE1 2.81Å; D1020-H1083 PolarHBondContact O-ND1 2.9Å
1021	L	63.2	Low	54.8	Low	6 Å²	6	75.2 Å²	75.2	3%	0.031	44%	0.441	C	S	.	.	G	3₁₀ helix	trans	-80.9	12.8	-179.6	-59.4	-179.5	0	0	0	113.7	P1019 L1023 L1024 F1025 T1030 V1041 L1079 H1083	P1019-L1021 HydrophobicContact CB-CD2 4.43Å; P1019-L1021 HydrophobicContact CG-CD2 4.28Å; P1019-L1021 PolarHBondContact O-N 2.77Å; L1021-L1023 PolarHBondContact O-N 3.33Å; L1021-L1024 HydrophobicContact CD2-CD1 4.35Å; L1021-L1024 PolarHBondContact O-N 2.83Å; L1021-F1025 HydrophobicContact CB-CD2 4.08Å; L1021-F1025 HydrophobicContact CD1-CD2 4.47Å; L1021-F1025 HydrophobicContact CD1-CE2 4.47Å; L1021-F1025 PolarHBondContact O-N 3.35Å; L1021-T1030 HydrophobicContact CD1-CG2 3.73Å; L1021-T1030 HydrophobicContact CG-CG2 4.34Å; L1021-V1041 HydrophobicContact CD1-CG1 4.03Å; L1021-L1079 HydrophobicContact CD1-CD1 3.93Å; L1021-L1079 HydrophobicContact CD1-CD2 3.86Å; L1021-L1079 HydrophobicContact CD1-CG 3.92Å; L1021-L1079 HydrophobicContact CD2-CG 4.4Å; L1021-H1083 HydrophobicContact CD2-CB 3.78Å
1022	S	58.9	Low	56.3	Low	50 Å²	50	75.3 Å²	75.3	35%	0.35	44%	0.442	S	S	.	.	G	3₁₀ helix	trans	-53.3	-28.5	-177.5	55.4	0	0	0	0	114.5	D1020 F1025 P1026	D1020-S1022 VanDerWaalsContact CG-OG 3.24Å; D1020-S1022 PolarHBondContact O-N 2.84Å; D1020-S1022 WeakPolarHBondContact OD1-CB 3.39Å; D1020-S1022 PolarHBondContact OD1-N 2.9Å; D1020-S1022 VanDerWaalsContact OD1-N 3.08Å; D1020-S1022 PolarHBondContact OD1-OG 2.81Å; D1020-S1022 PolarHBondContact OD2-OG 2.8Å; S1022-F1025 CarbonylContact O-C 3.53Å; S1022-F1025 VanDerWaalsContact O-C 3.32Å; S1022-P1026 WeakPolarHBondContact O-CA 2.89Å
1023	L	56	Low	58.2	Low	120 Å²	120	69.3 Å²	69.3	63%	0.628	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-74.6	-33.8	176.9	-70.6	172.6	0	0	0	114.1	L1021	L1021-L1023 PolarHBondContact O-N 3.33Å
1024	L	57.1	Low	59.9	Low	22 Å²	22	69.2 Å²	69.2	12%	0.115	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-34.2	173.6	-83.2	171.8	0	0	0	111.3	L1021 M1082 H1083 A1086	L1021-L1024 HydrophobicContact CD2-CD1 4.35Å; L1021-L1024 PolarHBondContact O-N 2.83Å; L1024-M1082 HydrophobicContact CD1-CB 3.97Å; L1024-H1083 HydrophobicContact CD1-CB 3.97Å; L1024-A1086 HydrophobicContact CD2-CB 3.45Å; L1024-A1086 VanDerWaalsContact CD2-CB 3.45Å; L1024-A1086 HydrophobicContact CG-CB 3.87Å
1025	F	61.7	Low	61.6	Low	8 Å²	8	71.1 Å²	71.1	4%	0.035	41%	0.413	C	S	.	.	S	Bend	trans	-137.2	88.2	-174.5	-51.2	-70.9	0	0	0	110.4	L943 L1021 S1022 G1027 A1028 V1041 T1042	L943-F1025 HydrophobicContact CB-CE1 4.12Å; L943-F1025 HydrophobicContact CB-CZ 4.38Å; L943-F1025 HydrophobicContact CD1-CE1 4.35Å; L943-F1025 HydrophobicContact CD1-CZ 3.94Å; L943-F1025 HydrophobicContact CD2-CE1 4.48Å; L1021-F1025 HydrophobicContact CB-CD2 4.08Å; L1021-F1025 HydrophobicContact CD1-CD2 4.47Å; L1021-F1025 HydrophobicContact CD1-CE2 4.47Å; L1021-F1025 PolarHBondContact O-N 3.35Å; S1022-F1025 CarbonylContact O-C 3.53Å; S1022-F1025 VanDerWaalsContact O-C 3.32Å; F1025-G1027 PolarHBondContact O-N 3.08Å; F1025-A1028 HydrophobicContact CB-CB 3.55Å; F1025-A1028 PolarHBondContact O-N 3.44Å; F1025-A1028 VanDerWaalsContact O-N 3.17Å; F1025-V1041 HydrophobicContact CD2-CG1 3.46Å; F1025-V1041 VanDerWaalsContact CD2-CG1 3.46Å; F1025-V1041 HydrophobicContact CE1-CG1 4.45Å; F1025-V1041 HydrophobicContact CE2-CG1 3.17Å; F1025-V1041 HydrophobicContact CG-CG1 4.24Å; F1025-V1041 HydrophobicContact CZ-CG1 3.73Å; F1025-T1042 HydrophobicContact CB-CG2 4.43Å; F1025-T1042 HydrophobicContact CD1-CG2 3.2Å; F1025-T1042 HydrophobicContact CD2-CG2 4.45Å; F1025-T1042 HydrophobicContact CE1-CG2 3.42Å; F1025-T1042 VanDerWaalsContact CE1-CG2 3.42Å; F1025-T1042 HydrophobicContact CG-CG2 3.77Å; F1025-T1042 HydrophobicContact CZ-CG2 4.16Å
1026	P	55.7	Low	63.2	Low	100 Å²	100	70 Å²	70	65%	0.649	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	114.4	178.9	-23.9	33.6	0	0	0	111.2	S1022	S1022-P1026 WeakPolarHBondContact O-CA 2.89Å
1027	G	53.4	Low	65.2	Low	82 Å²	82	65.4 Å²	65.4	85%	0.845	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.9	15.3	177.3	0	0	0	0	0	116.1	F1025	F1025-G1027 PolarHBondContact O-N 3.08Å
1028	A	58.6	Low	66.8	Low	36 Å²	36	59.9 Å²	59.9	30%	0.298	35%	0.353	S	S	.	.			trans	-88.8	118.8	173.1	0	0	0	0	0	111.6	F1025 T1030 V1041	F1025-A1028 HydrophobicContact CB-CB 3.55Å; F1025-A1028 PolarHBondContact O-N 3.44Å; F1025-A1028 VanDerWaalsContact O-N 3.17Å; A1028-T1030 PolarHBondContact O-N 2.99Å; A1028-V1041 WeakPolarHBondContact CB-O 3.41Å
1029	E	58.8	Low	68.1	Low	142 Å²	142	57.2 Å²	57.2	66%	0.664	34%	0.339	S	S	*	.			trans	-84	110	169.4	-67.1	179.1	177.9	0	0	108.8	K1031	E1029-K1031 PolarHBondContact O-N 3.28Å; E1029-K1031 WeakPolarHBondContact OE2-CE 3.35Å; E1029-K1031 IonicContact OE2-NZ 3.37Å; E1029-K1031 PolarHBondContact OE2-NZ 3.12Å
1030	T	68.6	Low	69.4	Low	30 Å²	30	60.3 Å²	60.3	18%	0.184	35%	0.346	C	S	.	.			trans	-65.5	117.4	174.3	42.9	0	0	0	0	109.4	L1021 A1028 L1039	L1021-T1030 HydrophobicContact CD1-CG2 3.73Å; L1021-T1030 HydrophobicContact CG-CG2 4.34Å; A1028-T1030 PolarHBondContact O-N 2.99Å; T1030-L1039 HydrophobicContact CG2-CD2 4.13Å
1031	K	76.7	Confident	70.5	Confident	113 Å²	113	55 Å²	55	49%	0.491	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	149	-179.8	-68	-176.3	-175.7	172.9	0	110.7	E1029 D1033 R1040	E1029-K1031 PolarHBondContact O-N 3.28Å; E1029-K1031 WeakPolarHBondContact OE2-CE 3.35Å; E1029-K1031 IonicContact OE2-NZ 3.37Å; E1029-K1031 PolarHBondContact OE2-NZ 3.12Å; K1031-D1033 PolarHBondContact O-N 3.43Å; K1031-R1040 PolarHBondContact N-O 3.04Å; K1031-R1040 WeakPolarHBondContact O-CA 3.36Å; K1031-R1040 WeakPolarHBondContact O-CB 3.15Å; K1031-R1040 PolarHBondContact O-N 2.92Å
1032	P	77.9	Confident	71.3	Confident	61 Å²	61	55.5 Å²	55.5	40%	0.396	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	137	168.8	-23	33.3	0	0	0	111.1	P1011 G1038	P1011-P1032 HydrophobicContact CB-CG 4.42Å; P1032-G1038 WeakPolarHBondContact CA-O 3.32Å
1033	D	80.9	Confident	72.2	Confident	7 Å²	7	58.4 Å²	58.4	4%	0.037	34%	0.341	C	S	.	.			trans	-75.3	123.8	175.1	-166.5	-72.2	0	0	0	110	K1031 I1035 K1036 G1037 G1038 R1040 T1046	K1031-D1033 PolarHBondContact O-N 3.43Å; D1033-I1035 PolarHBondContact O-N 3.3Å; D1033-I1035 PolarHBondContact OD1-N 3.17Å; D1033-K1036 HydrophobicContact CB-CB 4.23Å; D1033-K1036 PolarHBondContact OD1-N 3.48Å; D1033-G1037 WeakPolarHBondContact CB-O 3.42Å; D1033-G1037 PolarHBondContact O-N 2.87Å; D1033-G1037 VanDerWaalsContact O-N 3.17Å; D1033-G1038 PolarHBondContact N-O 3.15Å; D1033-G1038 VanDerWaalsContact N-O 3.12Å; D1033-R1040 HydrophobicContact CB-CB 4.45Å; D1033-R1040 IonicContact OD1-NH2 3.89Å; D1033-R1040 IonicContact OD2-CZ 3.9Å; D1033-R1040 IonicContact OD2-NE 3.63Å; D1033-R1040 PolarHBondContact OD2-NE 3.45Å; D1033-R1040 IonicContact OD2-NH2 3.03Å; D1033-R1040 PolarHBondContact OD2-NH2 2.85Å; D1033-T1046 HydrophobicContact CB-CG2 4.03Å
1034	P	77.8	Confident	73.6	Confident	87 Å²	87	53 Å²	53	57%	0.565	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-15.8	-173.4	28.1	-35.7	0	0	0	114
1035	I	82	Confident	75.2	Confident	133 Å²	133	52 Å²	52	68%	0.682	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.8	-48.5	-175.7	-60.5	172.4	0	0	0	110.4	D1033	D1033-I1035 PolarHBondContact O-N 3.3Å; D1033-I1035 PolarHBondContact OD1-N 3.17Å
1036	K	84.2	Confident	76.5	Confident	33 Å²	33	52 Å²	52	14%	0.143	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-21.7	-174	-60.9	178.1	178.6	-177.8	0	113	D911 Y1004 G1006 D1033 C1049	D911-K1036 IonicContact OD1-NZ 2.93Å; D911-K1036 PolarHBondContact OD1-NZ 2.93Å; D911-K1036 IonicContact OD2-NZ 3.29Å; D911-K1036 PolarHBondContact OD2-NZ 3.12Å; Y1004-K1036 HydrophobicContact CD1-CB 3.77Å; Y1004-K1036 HydrophobicContact CD1-CD 4.11Å; Y1004-K1036 HydrophobicContact CD1-CG 3.86Å; Y1004-K1036 HydrophobicContact CD2-CG 4.25Å; Y1004-K1036 HydrophobicContact CE1-CB 4.18Å; Y1004-K1036 HydrophobicContact CE1-CD 3.62Å; Y1004-K1036 HydrophobicContact CE1-CG 3.85Å; Y1004-K1036 HydrophobicContact CE2-CD 4.49Å; Y1004-K1036 HydrophobicContact CE2-CG 4.23Å; Y1004-K1036 HydrophobicContact CG-CB 4.06Å; Y1004-K1036 HydrophobicContact CG-CG 4.07Å; G1006-K1036 PolarHBondContact N-O 3.32Å; G1006-K1036 VanDerWaalsContact N-O 3.09Å; D1033-K1036 HydrophobicContact CB-CB 4.23Å; D1033-K1036 PolarHBondContact OD1-N 3.48Å; K1036-C1049 HydrophobicContact CB-CB 4.1Å
1037	G	82.3	Confident	78	Confident	4 Å²	4	47.9 Å²	47.9	4%	0.041	28%	0.279	C	S	.	.			trans	73.5	-171.3	-162.4	0	0	0	0	0	111.9	G1006 D1033 C1049	G1006-G1037 WeakPolarHBondContact O-CA 3.35Å; D1033-G1037 WeakPolarHBondContact CB-O 3.42Å; D1033-G1037 PolarHBondContact O-N 2.87Å; D1033-G1037 VanDerWaalsContact O-N 3.17Å; G1037-C1049 VanDerWaalsContact O-CB 3.22Å; G1037-C1049 WeakPolarHBondContact O-CB 3.35Å
1038	G	82	Confident	79.5	Confident	5 Å²	5	46 Å²	46	5%	0.052	25%	0.25	C	C	.	.	S	Bend	trans	65.6	-164.9	-174.9	0	0	0	0	0	113	P1032 D1033 N1048	P1032-G1038 WeakPolarHBondContact CA-O 3.32Å; D1033-G1038 PolarHBondContact N-O 3.15Å; D1033-G1038 VanDerWaalsContact N-O 3.12Å; G1038-N1048 VanDerWaalsContact CA-O 3.3Å; G1038-N1048 WeakPolarHBondContact CA-O 3.42Å
1039	L	81.1	Confident	80.8	Confident	7 Å²	7	44.2 Å²	44.2	4%	0.037	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	116.7	-174.7	-166	78	0	0	0	111.1	L1018 T1030 V1041 Y1047 L1079	L1018-L1039 HydrophobicContact CD1-CD1 3.88Å; L1018-L1039 HydrophobicContact CD2-CD1 3.48Å; L1018-L1039 VanDerWaalsContact CD2-CD1 3.48Å; L1018-L1039 HydrophobicContact CD2-CD2 3.64Å; L1018-L1039 HydrophobicContact CD2-CG 4.21Å; L1018-L1039 HydrophobicContact CG-CD1 4.34Å; T1030-L1039 HydrophobicContact CG2-CD2 4.13Å; L1039-V1041 HydrophobicContact CD2-CG2 4.08Å; L1039-V1041 HydrophobicContact CG-CG2 4.43Å; L1039-V1041 PolarHBondContact O-N 3.38Å; L1039-Y1047 PolarHBondContact N-O 2.99Å; L1039-Y1047 PolarHBondContact O-N 3.18Å; L1039-L1079 HydrophobicContact CD2-CD2 3.77Å
1040	R	84	Confident	82.2	Confident	105 Å²	105	37.5 Å²	37.5	40%	0.396	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	111.7	169.5	-172.2	-177.2	-67.8	176.7	-3.9	108.9	K1031 D1033 T1042	K1031-R1040 PolarHBondContact N-O 3.04Å; K1031-R1040 WeakPolarHBondContact O-CA 3.36Å; K1031-R1040 WeakPolarHBondContact O-CB 3.15Å; K1031-R1040 PolarHBondContact O-N 2.92Å; D1033-R1040 HydrophobicContact CB-CB 4.45Å; D1033-R1040 IonicContact OD1-NH2 3.89Å; D1033-R1040 IonicContact OD2-CZ 3.9Å; D1033-R1040 IonicContact OD2-NE 3.63Å; D1033-R1040 PolarHBondContact OD2-NE 3.45Å; D1033-R1040 IonicContact OD2-NH2 3.03Å; D1033-R1040 PolarHBondContact OD2-NH2 2.85Å; R1040-T1042 WeakPolarHBondContact CG-O 3.12Å
1041	V	79.6	Confident	82.7	Confident	3 Å²	3	39 Å²	39	2%	0.018	21%	0.213	C	C	.	.			trans	-95.2	-42	-176.1	177.5	0	0	0	0	111	L1021 F1025 A1028 L1039 F1045 L1079	L1021-V1041 HydrophobicContact CD1-CG1 4.03Å; F1025-V1041 HydrophobicContact CD2-CG1 3.46Å; F1025-V1041 VanDerWaalsContact CD2-CG1 3.46Å; F1025-V1041 HydrophobicContact CE1-CG1 4.45Å; F1025-V1041 HydrophobicContact CE2-CG1 3.17Å; F1025-V1041 HydrophobicContact CG-CG1 4.24Å; F1025-V1041 HydrophobicContact CZ-CG1 3.73Å; A1028-V1041 WeakPolarHBondContact CB-O 3.41Å; L1039-V1041 HydrophobicContact CD2-CG2 4.08Å; L1039-V1041 HydrophobicContact CG-CG2 4.43Å; L1039-V1041 PolarHBondContact O-N 3.38Å; V1041-F1045 HydrophobicContact CB-CD1 3.69Å; V1041-F1045 HydrophobicContact CB-CE1 4.21Å; V1041-F1045 HydrophobicContact CG1-CD1 4.03Å; V1041-F1045 HydrophobicContact CG1-CE1 4.48Å; V1041-F1045 HydrophobicContact CG2-CD1 4.09Å; V1041-F1045 HydrophobicContact CG2-CE1 4.12Å; V1041-F1045 PolarHBondContact N-O 3.04Å; V1041-L1079 HydrophobicContact CG2-CD1 4.23Å; V1041-L1079 HydrophobicContact CG2-CD2 4.37Å
1042	T	79.6	Confident	82.3	Confident	18 Å²	18	36.8 Å²	36.8	11%	0.11	21%	0.207	C	C	.	.	S	Bend	trans	-132	179.6	172.5	74.1	0	0	0	0	110.5	F1025 R1040 F1044 F1045	F1025-T1042 HydrophobicContact CB-CG2 4.43Å; F1025-T1042 HydrophobicContact CD1-CG2 3.2Å; F1025-T1042 HydrophobicContact CD2-CG2 4.45Å; F1025-T1042 HydrophobicContact CE1-CG2 3.42Å; F1025-T1042 VanDerWaalsContact CE1-CG2 3.42Å; F1025-T1042 HydrophobicContact CG-CG2 3.77Å; F1025-T1042 HydrophobicContact CZ-CG2 4.16Å; R1040-T1042 WeakPolarHBondContact CG-O 3.12Å; T1042-F1044 HydrophobicContact CG2-CE1 4.31Å; T1042-F1044 PolarHBondContact O-N 3.07Å; T1042-F1044 VanDerWaalsContact O-N 3.16Å; T1042-F1044 WeakPolarHBondContact OG1-CD1 3.48Å; T1042-F1044 VanDerWaalsContact OG1-CE1 3.27Å; T1042-F1044 WeakPolarHBondContact OG1-CE1 3.41Å; T1042-F1044 PolarHBondContact OG1-N 3.12Å; T1042-F1045 HydrophobicContact CG2-CB 4.49Å; T1042-F1045 PolarHBondContact N-O 3.01Å; T1042-F1045 VanDerWaalsContact OG1-CB 3.29Å; T1042-F1045 WeakPolarHBondContact OG1-CB 3.36Å; T1042-F1045 PolarHBondContact OG1-N 3.43Å
1043	S	78.4	Confident	80.9	Confident	110 Å²	110	39.7 Å²	39.7	77%	0.769	23%	0.228	S	C	*	.	S	Bend	trans	-62.7	-17.6	173.7	59.5	0	0	0	0	113.9
1044	F	86.4	Confident	79.7	Confident	8 Å²	8	43.9 Å²	43.9	4%	0.035	25%	0.246	C	C	.	.	S	Bend	trans	-123.7	-6.3	-176.9	71	-93.5	0	0	0	113.4	N908 S909 V910 L943 R946 T1042	N908-F1044 WeakPolarHBondContact O-CA 3.4Å; N908-F1044 WeakPolarHBondContact O-CB 3.43Å; S909-F1044 CarbonylContact C-O 3.53Å; S909-F1044 VanDerWaalsContact CA-O 3.25Å; S909-F1044 WeakPolarHBondContact CA-O 3.31Å; V910-F1044 PolarHBondContact N-O 3.16Å; L943-F1044 HydrophobicContact CD2-CE2 3.32Å; L943-F1044 HydrophobicContact CD2-CZ 3.41Å; L943-F1044 VanDerWaalsContact CD2-CZ 3.41Å; R946-F1044 HydrophobicContact CB-CZ 4.43Å; R946-F1044 VanDerWaalsContact CD-CZ 3.42Å; R946-F1044 HydrophobicContact CG-CE1 4.18Å; R946-F1044 HydrophobicContact CG-CZ 4.06Å; T1042-F1044 HydrophobicContact CG2-CE1 4.31Å; T1042-F1044 PolarHBondContact O-N 3.07Å; T1042-F1044 VanDerWaalsContact O-N 3.16Å; T1042-F1044 WeakPolarHBondContact OG1-CD1 3.48Å; T1042-F1044 VanDerWaalsContact OG1-CE1 3.27Å; T1042-F1044 WeakPolarHBondContact OG1-CE1 3.41Å; T1042-F1044 PolarHBondContact OG1-N 3.12Å
1045	F	89.3	Confident	78.7	Confident	1 Å²	1	45 Å²	45	0%	0.004	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	120.8	-174.8	-179.5	-119.9	0	0	0	111.3	V910 T912 L939 L943 V1041 T1042	V910-F1045 HydrophobicContact CB-CD2 4.33Å; V910-F1045 HydrophobicContact CG1-CD2 4.38Å; V910-F1045 WeakPolarHBondContact O-CA 3.44Å; T912-F1045 HydrophobicContact CG2-CD2 4.37Å; T912-F1045 HydrophobicContact CG2-CE2 3.42Å; T912-F1045 VanDerWaalsContact CG2-CE2 3.42Å; T912-F1045 HydrophobicContact CG2-CZ 4.06Å; L939-F1045 HydrophobicContact CD1-CD2 4.45Å; L939-F1045 HydrophobicContact CD1-CE2 3.95Å; L939-F1045 HydrophobicContact CD2-CE2 3.78Å; L939-F1045 HydrophobicContact CD2-CZ 3.79Å; L939-F1045 HydrophobicContact CG-CE2 4.3Å; L939-F1045 HydrophobicContact CG-CZ 4.47Å; L943-F1045 HydrophobicContact CD1-CD1 3.98Å; L943-F1045 HydrophobicContact CD1-CE1 4.03Å; L943-F1045 HydrophobicContact CD1-CG 4.35Å; L943-F1045 HydrophobicContact CD1-CZ 4.35Å; L943-F1045 HydrophobicContact CD2-CB 4.17Å; L943-F1045 HydrophobicContact CD2-CD1 4.43Å; L943-F1045 HydrophobicContact CD2-CD2 4.48Å; L943-F1045 HydrophobicContact CD2-CG 4.12Å; V1041-F1045 HydrophobicContact CB-CD1 3.69Å; V1041-F1045 HydrophobicContact CB-CE1 4.21Å; V1041-F1045 HydrophobicContact CG1-CD1 4.03Å; V1041-F1045 HydrophobicContact CG1-CE1 4.48Å; V1041-F1045 HydrophobicContact CG2-CD1 4.09Å; V1041-F1045 HydrophobicContact CG2-CE1 4.12Å; V1041-F1045 PolarHBondContact N-O 3.04Å; T1042-F1045 HydrophobicContact CG2-CB 4.49Å; T1042-F1045 PolarHBondContact N-O 3.01Å; T1042-F1045 VanDerWaalsContact OG1-CB 3.29Å; T1042-F1045 WeakPolarHBondContact OG1-CB 3.36Å; T1042-F1045 PolarHBondContact OG1-N 3.43Å
1046	T	88.9	Confident	77.6	Confident	6 Å²	6	40.2 Å²	40.2	4%	0.037	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	115.8	177.6	-31.6	0	0	0	0	109.7	V910 D911 T912 D1033 C1049	V910-T1046 PolarHBondContact O-N 3.38Å; D911-T1046 WeakPolarHBondContact CA-O 3.48Å; D911-T1046 VanDerWaalsContact OD1-CB 3.26Å; D911-T1046 WeakPolarHBondContact OD1-CB 3.44Å; D911-T1046 PolarHBondContact OD1-OG1 3.05Å; T912-T1046 PolarHBondContact N-O 3.49Å; D1033-T1046 HydrophobicContact CB-CG2 4.03Å; T1046-C1049 HydrophobicContact CG2-CB 3.9Å
1047	Y	87.2	Confident	76.3	Confident	14 Å²	14	45.1 Å²	45.1	6%	0.055	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	139.1	-177.5	175.4	-109.6	0	0	0	111.9	T912 A914 L1039 C1049 L1079	T912-Y1047 WeakPolarHBondContact OG1-CD2 3.36Å; A914-Y1047 WeakPolarHBondContact O-CE2 3.45Å; A914-Y1047 PolarHBondContact O-OH 3.14Å; L1039-Y1047 PolarHBondContact N-O 2.99Å; L1039-Y1047 PolarHBondContact O-N 3.18Å; Y1047-C1049 PolarHBondContact O-N 2.95Å; Y1047-L1079 HydrophobicContact CD1-CD2 4.1Å; Y1047-L1079 HydrophobicContact CE1-CB 4.32Å; Y1047-L1079 HydrophobicContact CE1-CD2 4.5Å
1048	N	86.1	Confident	75.2	Confident	42 Å²	42	47.4 Å²	47.4	23%	0.225	26%	0.257	C	S	.	.	S	Bend	trans	50.9	48.3	174.2	-166.4	34.4	0	0	0	114.2	T912 A914 G1038	T912-N1048 CarbonylContact O-C 3.45Å; T912-N1048 VanDerWaalsContact O-CA 3.24Å; T912-N1048 WeakPolarHBondContact O-CA 3.39Å; T912-N1048 PolarHBondContact O-N 2.96Å; T912-N1048 VanDerWaalsContact O-N 3.08Å; T912-N1048 PolarHBondContact OG1-N 2.61Å; A914-N1048 WeakPolarHBondContact CA-OD1 3.4Å; A914-N1048 WeakPolarHBondContact CB-OD1 3.38Å; A914-N1048 PolarHBondContact N-OD1 3.46Å; A914-N1048 VanDerWaalsContact N-OD1 3.16Å; G1038-N1048 VanDerWaalsContact CA-O 3.3Å; G1038-N1048 WeakPolarHBondContact CA-O 3.42Å
1049	C	86.2	Confident	74.1	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.274	C	S	.	.			trans	-110.2	-8.4	179.7	63	0	0	0	0	113.5	D911 T912 Y1004 V1005 K1036 G1037 T1046 Y1047	D911-C1049 VanDerWaalsContact CB-SG 3.59Å; T912-C1049 PolarHBondContact O-N 2.97Å; Y1004-C1049 VanDerWaalsContact CA-O 3.29Å; Y1004-C1049 WeakPolarHBondContact CA-O 3.33Å; Y1004-C1049 HydrophobicContact CD1-CB 4.44Å; V1005-C1049 PolarHBondContact N-O 2.94Å; K1036-C1049 HydrophobicContact CB-CB 4.1Å; G1037-C1049 VanDerWaalsContact O-CB 3.22Å; G1037-C1049 WeakPolarHBondContact O-CB 3.35Å; T1046-C1049 HydrophobicContact CG2-CB 3.9Å; Y1047-C1049 PolarHBondContact O-N 2.95Å
1050	L	87.2	Confident	73.1	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.005	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-82.6	144	178.9	-58.5	-179	0	0	0	111.4	D911 T912 N913 R918 V920 L1003 Y1004 V1005 D1052	D911-L1050 HydrophobicContact CB-CD2 4.19Å; T912-L1050 PolarHBondContact O-N 2.92Å; N913-L1050 HydrophobicContact CB-CB 4.23Å; N913-L1050 HydrophobicContact CB-CD1 4.43Å; R918-L1050 HydrophobicContact CB-CD1 4.32Å; R918-L1050 HydrophobicContact CG-CD1 3.93Å; V920-L1050 HydrophobicContact CB-CD1 4.4Å; V920-L1050 HydrophobicContact CB-CD2 4.15Å; V920-L1050 HydrophobicContact CG2-CD1 3.68Å; V920-L1050 HydrophobicContact CG2-CD2 3.78Å; V920-L1050 HydrophobicContact CG2-CG 4.42Å; L1003-L1050 HydrophobicContact CD1-CD2 4.19Å; L1003-L1050 HydrophobicContact CD2-CD2 4.42Å; L1003-L1050 HydrophobicContact CG-CD2 3.9Å; L1003-L1050 WeakPolarHBondContact O-CA 3.38Å; Y1004-L1050 HydrophobicContact CD1-CD2 4.11Å; Y1004-L1050 HydrophobicContact CE1-CD2 3.99Å; V1005-L1050 WeakPolarHBondContact CG2-O 3.38Å; L1050-D1052 PolarHBondContact O-N 3.48Å; L1050-D1052 VanDerWaalsContact O-N 3.09Å
1051	T	78.1	Confident	71.9	Confident	60 Å²	60	52.1 Å²	52.1	37%	0.368	29%	0.287	S	S	.	.			trans	-68.4	106.5	172.7	54.9	0	0	0	0	109.6	R918 N1002 L1003 Y1004 V1005	R918-T1051 PolarHBondContact NH1-O 3.16Å; N1002-T1051 PolarHBondContact O-OG1 3.37Å; L1003-T1051 PolarHBondContact O-N 3.15Å; L1003-T1051 PolarHBondContact O-OG1 3.35Å; Y1004-T1051 VanDerWaalsContact C-CG2 3.46Å; Y1004-T1051 WeakPolarHBondContact O-CG2 3.19Å; V1005-T1051 HydrophobicContact CG2-CG2 4.28Å
1052	D	68.3	Low	70.9	Confident	68 Å²	68	61.8 Å²	61.8	36%	0.364	32%	0.323	S	S	.	.			trans	-133.3	148	171.3	-149.9	-18	0	0	0	109.5	N913 L1050 K1054	N913-D1052 HydrophobicContact CB-CB 4.29Å; N913-D1052 PolarHBondContact ND2-OD2 2.79Å; L1050-D1052 PolarHBondContact O-N 3.48Å; L1050-D1052 VanDerWaalsContact O-N 3.09Å; D1052-K1054 PolarHBondContact O-N 2.94Å
1053	S	49.4	Very low	70.2	Confident	121 Å²	121	64.2 Å²	64.2	85%	0.846	34%	0.337	S	S	*	.	S	Bend	trans	-79.1	3.6	-170.5	58.5	0	0	0	0	114.3
1054	K	56	Low	69.9	Low	96 Å²	96	64 Å²	64	42%	0.417	32%	0.323	S	S	.	.			trans	-101.5	123.5	-172.3	-62.8	-174.7	-175.7	178.1	0	111.9	D915 D1052 L1056	D915-K1054 IonicContact OD2-NZ 2.91Å; D1052-K1054 PolarHBondContact O-N 2.94Å; K1054-L1056 PolarHBondContact O-N 2.82Å
1055	D	57.4	Low	69.6	Low	111 Å²	111	64.7 Å²	64.7	59%	0.594	33%	0.325	S	S	*	.			trans	-80.6	96.5	177.4	-170.3	24	0	0	0	110.3	Y1057 S1058 E1059	D1055-Y1057 VanDerWaalsContact C-N 3.3Å; D1055-Y1057 PolarHBondContact O-N 3.18Å; D1055-S1058 PolarHBondContact O-N 2.83Å; D1055-S1058 VanDerWaalsContact O-N 3.15Å; D1055-S1058 PolarHBondContact OD2-OG 3.08Å; D1055-E1059 PolarHBondContact O-N 2.94Å
1056	L	57.7	Low	69.2	Low	31 Å²	31	67.8 Å²	67.8	16%	0.162	35%	0.347	C	S	.	.	H	α-helix	trans	-49.1	-44.8	-169.5	-176.2	89.8	0	0	0	113.7	A914 K1054 E1059 C1060 T1077	A914-L1056 HydrophobicContact CB-CB 4.15Å; A914-L1056 HydrophobicContact CB-CD1 3.21Å; A914-L1056 HydrophobicContact CB-CG 4.24Å; A914-L1056 VanDerWaalsContact O-CD1 3.31Å; A914-L1056 WeakPolarHBondContact O-CD1 3.37Å; K1054-L1056 PolarHBondContact O-N 2.82Å; L1056-E1059 PolarHBondContact O-N 2.83Å; L1056-C1060 WeakPolarHBondContact O-CB 3.41Å; L1056-C1060 PolarHBondContact O-N 2.89Å; L1056-C1060 PolarHBondContact O-SG 2.85Å; L1056-T1077 HydrophobicContact CD2-CG2 4.21Å
1057	Y	58	Low	68.7	Low	137 Å²	137	67.5 Å²	67.5	54%	0.537	35%	0.345	S	S	.	.	H	α-helix	trans	-71	-38	-173.8	-138.1	-92.7	0	0	0	111.3	D1055 E1059 L1061	D1055-Y1057 VanDerWaalsContact C-N 3.3Å; D1055-Y1057 PolarHBondContact O-N 3.18Å; Y1057-E1059 VanDerWaalsContact C-N 3.32Å; Y1057-E1059 PolarHBondContact O-N 2.83Å; Y1057-L1061 HydrophobicContact CD1-CD1 4.09Å; Y1057-L1061 HydrophobicContact CD1-CG 4.48Å; Y1057-L1061 WeakPolarHBondContact O-CD1 3.44Å; Y1057-L1061 VanDerWaalsContact O-CG 3.24Å; Y1057-L1061 WeakPolarHBondContact O-CG 3.42Å; Y1057-L1061 PolarHBondContact O-N 3.32Å
1058	S	57.6	Low	68.1	Low	52 Å²	52	71.2 Å²	71.2	36%	0.364	37%	0.371	S	S	.	.	H	α-helix	trans	-67.4	-29.8	178.1	-68.9	0	0	0	0	112.9	D1055 R1062	D1055-S1058 PolarHBondContact O-N 2.83Å; D1055-S1058 VanDerWaalsContact O-N 3.15Å; D1055-S1058 PolarHBondContact OD2-OG 3.08Å; S1058-R1062 WeakPolarHBondContact O-CD 3.19Å; S1058-R1062 WeakPolarHBondContact O-CG 3.37Å; S1058-R1062 PolarHBondContact O-NE 2.94Å
1059	E	59.6	Low	67.7	Low	87 Å²	87	72 Å²	72	41%	0.407	38%	0.376	S	S	.	.	H	α-helix	trans	-89.6	-36.8	-179.7	-155.6	170.8	-160	0	0	112.6	D1055 L1056 Y1057 L1061 R1062 T1063	D1055-E1059 PolarHBondContact O-N 2.94Å; L1056-E1059 PolarHBondContact O-N 2.83Å; Y1057-E1059 VanDerWaalsContact C-N 3.32Å; Y1057-E1059 PolarHBondContact O-N 2.83Å; E1059-L1061 VanDerWaalsContact C-N 3.32Å; E1059-L1061 PolarHBondContact O-N 3.04Å; E1059-R1062 WeakPolarHBondContact O-CB 3.4Å; E1059-R1062 PolarHBondContact O-N 3.4Å; E1059-T1063 PolarHBondContact O-N 3.06Å; E1059-T1063 PolarHBondContact O-OG1 2.69Å
1060	C	60.4	Low	67.5	Low	17 Å²	17	73.9 Å²	73.9	12%	0.115	39%	0.388	C	S	.	.	H	α-helix	trans	-63.4	-36.2	173.1	-69.3	0	0	0	0	112	L1056 R1062 T1063 P1075	L1056-C1060 WeakPolarHBondContact O-CB 3.41Å; L1056-C1060 PolarHBondContact O-N 2.89Å; L1056-C1060 PolarHBondContact O-SG 2.85Å; C1060-R1062 PolarHBondContact O-N 2.86Å; C1060-T1063 PolarHBondContact O-N 3.29Å; C1060-T1063 VanDerWaalsContact O-O 3.12Å; C1060-P1075 WeakPolarHBondContact O-CB 3.45Å
1061	L	58.4	Low	67	Low	112 Å²	112	80.1 Å²	80.1	59%	0.586	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-16.6	173.5	-73.8	170.9	0	0	0	113.6	Y1057 E1059	Y1057-L1061 HydrophobicContact CD1-CD1 4.09Å; Y1057-L1061 HydrophobicContact CD1-CG 4.48Å; Y1057-L1061 WeakPolarHBondContact O-CD1 3.44Å; Y1057-L1061 VanDerWaalsContact O-CG 3.24Å; Y1057-L1061 WeakPolarHBondContact O-CG 3.42Å; Y1057-L1061 PolarHBondContact O-N 3.32Å; E1059-L1061 VanDerWaalsContact C-N 3.32Å; E1059-L1061 PolarHBondContact O-N 3.04Å
1062	R	58.6	Low	67.1	Low	206 Å²	206	79.4 Å²	79.4	78%	0.777	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	-12.4	179.5	-62.6	174.6	-171	-164.5	1.1	113.3	S1058 E1059 C1060	S1058-R1062 WeakPolarHBondContact O-CD 3.19Å; S1058-R1062 WeakPolarHBondContact O-CG 3.37Å; S1058-R1062 PolarHBondContact O-NE 2.94Å; E1059-R1062 WeakPolarHBondContact O-CB 3.4Å; E1059-R1062 PolarHBondContact O-N 3.4Å; C1060-R1062 PolarHBondContact O-N 2.86Å
1063	T	64.4	Low	67.7	Low	68 Å²	68	83 Å²	83	42%	0.417	42%	0.424	S	S	.	.			trans	-123.6	109.8	-174.5	45.7	0	0	0	0	110.9	E1059 C1060	E1059-T1063 PolarHBondContact O-N 3.06Å; E1059-T1063 PolarHBondContact O-OG1 2.69Å; C1060-T1063 PolarHBondContact O-N 3.29Å; C1060-T1063 VanDerWaalsContact O-O 3.12Å
1064	F	72.9	Confident	69.1	Low	105 Å²	105	79.6 Å²	79.6	46%	0.461	40%	0.396	S	S	.	.			trans	-86.6	139.2	175.4	-73.8	-106	0	0	0	109.9	Y1073 P1075	F1064-Y1073 HydrophobicContact CB-CD1 4.38Å; F1064-Y1073 HydrophobicContact CB-CD2 3.96Å; F1064-Y1073 HydrophobicContact CB-CE1 3.77Å; F1064-Y1073 HydrophobicContact CB-CE2 3.32Å; F1064-Y1073 HydrophobicContact CB-CG 4.47Å; F1064-Y1073 WeakPolarHBondContact CB-OH 3.41Å; F1064-Y1073 AromaticContact CD1-CD1 3.79Å; F1064-Y1073 HydrophobicContact CD1-CD1 3.79Å; F1064-Y1073 AromaticContact CD1-CE1 3.5Å; F1064-Y1073 HydrophobicContact CD1-CE1 3.5Å; F1064-Y1073 HydrophobicContact CD1-CG 4.41Å; F1064-Y1073 AromaticContact CD1-CZ 3.93Å; F1064-Y1073 HydrophobicContact CE1-CE1 4.25Å; F1064-Y1073 HydrophobicContact CG-CD1 4.37Å; F1064-Y1073 AromaticContact CG-CE1 3.71Å; F1064-Y1073 HydrophobicContact CG-CE1 3.71Å; F1064-Y1073 HydrophobicContact CG-CE2 4.21Å; F1064-Y1073 AromaticContact CG-CZ 3.65Å; F1064-P1075 HydrophobicContact CE1-CG 4.3Å
1065	W	79	Confident	69.9	Low	23 Å²	23	77.2 Å²	77.2	9%	0.087	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	135.8	175.9	173.4	76.1	0	0	0	109.9	C1067 L1072 Y1073 M1074 L1076 R1081 H1084 E1085	W1065-C1067 HydrophobicContact CE3-CB 4.4Å; W1065-C1067 HydrophobicContact CH2-CB 3.57Å; W1065-C1067 HydrophobicContact CZ2-CB 4.22Å; W1065-C1067 HydrophobicContact CZ3-CB 3.65Å; W1065-L1072 VanDerWaalsContact O-O 3.04Å; W1065-Y1073 WeakPolarHBondContact O-CA 3.4Å; W1065-M1074 PolarHBondContact N-O 2.93Å; W1065-M1074 PolarHBondContact O-N 3.47Å; W1065-L1076 HydrophobicContact CE3-CD1 3.97Å; W1065-L1076 HydrophobicContact CZ3-CD1 3.95Å; W1065-R1081 HydrophobicContact CD2-CG 3.89Å; W1065-R1081 HydrophobicContact CE3-CG 3.99Å; W1065-R1081 HydrophobicContact CG-CG 4.17Å; W1065-R1081 HydrophobicContact CZ3-CG 4.41Å; W1065-H1084 AromaticContact CH2-CD2 3.71Å; W1065-H1084 HydrophobicContact CZ3-CB 4.47Å; W1065-H1084 AromaticContact CZ3-CD2 3.64Å; W1065-E1085 HydrophobicContact CH2-CG 3.8Å; W1065-E1085 HydrophobicContact CZ2-CG 3.84Å; W1065-E1085 WeakPolarHBondContact CZ2-OE1 3.39Å
1066	S	80.6	Confident	70.7	Confident	67 Å²	67	72.6 Å²	72.6	47%	0.469	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	122.1	171.2	-63.1	0	0	0	0	109.5	L1072 Y1073	S1066-L1072 CarbonylContact C-O 3.32Å; S1066-L1072 VanDerWaalsContact CA-O 3.28Å; S1066-L1072 WeakPolarHBondContact CA-O 3.49Å; S1066-Y1073 VanDerWaalsContact OG-CD2 3.26Å; S1066-Y1073 WeakPolarHBondContact OG-CD2 3.21Å
1067	C	79.5	Confident	71.6	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	36%	0.364	C	S	.	.			trans	-65.9	126.9	173.5	178.1	0	0	0	0	110.7	W1065 N1069 D1071 L1072 H1084	W1065-C1067 HydrophobicContact CE3-CB 4.4Å; W1065-C1067 HydrophobicContact CH2-CB 3.57Å; W1065-C1067 HydrophobicContact CZ2-CB 4.22Å; W1065-C1067 HydrophobicContact CZ3-CB 3.65Å; C1067-N1069 PolarHBondContact O-N 2.86Å; C1067-N1069 PolarHBondContact SG-N 2.86Å; C1067-N1069 VanDerWaalsContact SG-N 3.4Å; C1067-D1071 VanDerWaalsContact O-CA 3.24Å; C1067-D1071 WeakPolarHBondContact O-CA 3.3Å; C1067-D1071 PolarHBondContact O-N 2.82Å; C1067-L1072 HydrophobicContact CB-CB 3.85Å; C1067-L1072 PolarHBondContact N-O 3.16Å; C1067-H1084 VanDerWaalsContact SG-CD2 3.5Å; C1067-H1084 PolarHBondContact SG-NE2 3.38Å
1068	P	74.5	Confident	72.6	Confident	92 Å²	92	66.1 Å²	66.1	60%	0.597	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-12.2	180	27.8	-35	0	0	0	114.3
1069	N	78.4	Confident	73.5	Confident	59 Å²	59	64 Å²	64	32%	0.316	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-31.3	-176.3	-69	-1.6	0	0	0	113.6	C1067 C1088	C1067-N1069 PolarHBondContact O-N 2.86Å; C1067-N1069 PolarHBondContact SG-N 2.86Å; C1067-N1069 VanDerWaalsContact SG-N 3.4Å; N1069-C1088 HydrophobicContact CB-CB 4.37Å; N1069-C1088 VanDerWaalsContact CB-SG 3.53Å; N1069-C1088 PolarHBondContact ND2-O 2.89Å
1070	C	80.9	Confident	74.4	Confident	38 Å²	38	62.4 Å²	62.4	26%	0.257	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.7	8.9	-175.8	75.1	0	0	0	0	114.6	L1072 H1084 C1088	C1070-L1072 PolarHBondContact O-N 2.85Å; C1070-L1072 VanDerWaalsContact SG-CB 3.58Å; C1070-H1084 PolarHBondContact SG-NE2 3.32Å; C1070-C1088 WeakPolarHBondContact CB-SG 3.45Å; C1070-C1088 PolarHBondContact SG-SG 2.79Å
1071	D	76.8	Confident	75.3	Confident	132 Å²	132	63.2 Å²	63.2	71%	0.706	32%	0.319	S	S	*	.			trans	57.3	20.6	178.7	-57.8	-43.5	0	0	0	114.8	C1067 Y1073	C1067-D1071 VanDerWaalsContact O-CA 3.24Å; C1067-D1071 WeakPolarHBondContact O-CA 3.3Å; C1067-D1071 PolarHBondContact O-N 2.82Å; D1071-Y1073 PolarHBondContact O-N 3.44Å; D1071-Y1073 VanDerWaalsContact O-N 3.16Å
1072	L	80.2	Confident	76.2	Confident	46 Å²	46	58 Å²	58	24%	0.241	29%	0.292	C	S	.	.			trans	-60.8	116.5	175.5	-173.8	69.5	0	0	0	110.4	W1065 S1066 C1067 C1070 M1074 H1084	W1065-L1072 VanDerWaalsContact O-O 3.04Å; S1066-L1072 CarbonylContact C-O 3.32Å; S1066-L1072 VanDerWaalsContact CA-O 3.28Å; S1066-L1072 WeakPolarHBondContact CA-O 3.49Å; C1067-L1072 HydrophobicContact CB-CB 3.85Å; C1067-L1072 PolarHBondContact N-O 3.16Å; C1070-L1072 PolarHBondContact O-N 2.85Å; C1070-L1072 VanDerWaalsContact SG-CB 3.58Å; L1072-M1074 HydrophobicContact CD1-CE 3.48Å; L1072-M1074 VanDerWaalsContact CD1-CE 3.48Å; L1072-M1074 HydrophobicContact CD2-CE 4.02Å; L1072-M1074 HydrophobicContact CG-CE 3.95Å; L1072-H1084 VanDerWaalsContact CD2-CE1 3.42Å; L1072-H1084 WeakPolarHBondContact CD2-CE1 3.24Å
1073	Y	80.9	Confident	77	Confident	142 Å²	142	50 Å²	50	56%	0.557	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.6	97.3	-179.6	-173.1	-113.3	0	0	0	111.5	F1064 W1065 S1066 D1071	F1064-Y1073 HydrophobicContact CB-CD1 4.38Å; F1064-Y1073 HydrophobicContact CB-CD2 3.96Å; F1064-Y1073 HydrophobicContact CB-CE1 3.77Å; F1064-Y1073 HydrophobicContact CB-CE2 3.32Å; F1064-Y1073 HydrophobicContact CB-CG 4.47Å; F1064-Y1073 WeakPolarHBondContact CB-OH 3.41Å; F1064-Y1073 AromaticContact CD1-CD1 3.79Å; F1064-Y1073 HydrophobicContact CD1-CD1 3.79Å; F1064-Y1073 AromaticContact CD1-CE1 3.5Å; F1064-Y1073 HydrophobicContact CD1-CE1 3.5Å; F1064-Y1073 HydrophobicContact CD1-CG 4.41Å; F1064-Y1073 AromaticContact CD1-CZ 3.93Å; F1064-Y1073 HydrophobicContact CE1-CE1 4.25Å; F1064-Y1073 HydrophobicContact CG-CD1 4.37Å; F1064-Y1073 AromaticContact CG-CE1 3.71Å; F1064-Y1073 HydrophobicContact CG-CE1 3.71Å; F1064-Y1073 HydrophobicContact CG-CE2 4.21Å; F1064-Y1073 AromaticContact CG-CZ 3.65Å; W1065-Y1073 WeakPolarHBondContact O-CA 3.4Å; S1066-Y1073 VanDerWaalsContact OG-CD2 3.26Å; S1066-Y1073 WeakPolarHBondContact OG-CD2 3.21Å; D1071-Y1073 PolarHBondContact O-N 3.44Å; D1071-Y1073 VanDerWaalsContact O-N 3.16Å
1074	M	78.3	Confident	77.6	Confident	50 Å²	50	48.6 Å²	48.6	25%	0.246	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	154.3	-178.6	-82.1	-156.7	-99.1	0	0	113.5	W1065 L1072 L1076 L1114	W1065-M1074 PolarHBondContact N-O 2.93Å; W1065-M1074 PolarHBondContact O-N 3.47Å; L1072-M1074 HydrophobicContact CD1-CE 3.48Å; L1072-M1074 VanDerWaalsContact CD1-CE 3.48Å; L1072-M1074 HydrophobicContact CD2-CE 4.02Å; L1072-M1074 HydrophobicContact CG-CE 3.95Å; M1074-L1076 HydrophobicContact CB-CG 4.36Å; M1074-L1076 PolarHBondContact O-N 2.69Å; M1074-L1076 VanDerWaalsContact O-N 3.15Å; M1074-L1114 HydrophobicContact CE-CD1 3.44Å; M1074-L1114 VanDerWaalsContact CE-CD1 3.44Å; M1074-L1114 HydrophobicContact SD-CD1 4.49Å
1075	P	74	Confident	77.8	Confident	46 Å²	46	46.5 Å²	46.5	30%	0.299	24%	0.244	S	C	.	.			trans	-77.5	97.4	171.5	31.5	-30.1	0	0	0	109.1	C1060 F1064	C1060-P1075 WeakPolarHBondContact O-CB 3.45Å; F1064-P1075 HydrophobicContact CE1-CG 4.3Å
1076	L	74.6	Confident	77.5	Confident	15 Å²	15	48.1 Å²	48.1	8%	0.079	26%	0.262	C	S	.	.			trans	-110.7	141.4	176.4	-65.4	-178.7	0	0	0	110.1	W1065 M1074 E1080 R1081 H1084	W1065-L1076 HydrophobicContact CE3-CD1 3.97Å; W1065-L1076 HydrophobicContact CZ3-CD1 3.95Å; M1074-L1076 HydrophobicContact CB-CG 4.36Å; M1074-L1076 PolarHBondContact O-N 2.69Å; M1074-L1076 VanDerWaalsContact O-N 3.15Å; L1076-E1080 HydrophobicContact CB-CB 4.02Å; L1076-E1080 HydrophobicContact CD2-CB 4.11Å; L1076-E1080 HydrophobicContact CG-CB 4.47Å; L1076-R1081 HydrophobicContact CB-CG 3.65Å; L1076-R1081 HydrophobicContact CD1-CG 4.48Å; L1076-R1081 PolarHBondContact O-NE 3.45Å; L1076-R1081 PolarHBondContact O-NH2 3.25Å; L1076-R1081 VanDerWaalsContact O-NH2 3.13Å; L1076-H1084 HydrophobicContact CD1-CB 4.37Å
1077	T	75.4	Confident	77	Confident	20 Å²	20	47.8 Å²	47.8	12%	0.123	26%	0.26	C	S	.	.			trans	-63.5	156.5	166.8	61.1	0	0	0	0	110.4	L1056 L1079 E1080 R1081	L1056-T1077 HydrophobicContact CD2-CG2 4.21Å; T1077-L1079 PolarHBondContact O-N 3.13Å; T1077-E1080 WeakPolarHBondContact CB-OE2 3.4Å; T1077-E1080 PolarHBondContact N-OE2 2.88Å; T1077-E1080 PolarHBondContact O-N 3.43Å; T1077-E1080 VanDerWaalsContact O-N 3.07Å; T1077-E1080 WeakPolarHBondContact OG1-CB 3.42Å; T1077-E1080 WeakPolarHBondContact OG1-CG 3.35Å; T1077-E1080 PolarHBondContact OG1-N 3.09Å; T1077-E1080 PolarHBondContact OG1-OE2 2.8Å; T1077-R1081 WeakPolarHBondContact O-CG 3.49Å; T1077-R1081 PolarHBondContact O-N 3.42Å
1078	P	78.9	Confident	76.8	Confident	12 Å²	12	48.6 Å²	48.6	8%	0.078	27%	0.265	C	S	.	.	H	α-helix	trans	-52	-40.1	177	-30.1	37.2	0	0	0	113.7	A914 L936 R1081 M1082	A914-P1078 WeakPolarHBondContact O-CG 3.39Å; L936-P1078 HydrophobicContact CD1-CB 3.71Å; L936-P1078 HydrophobicContact CD2-CB 4.3Å; P1078-R1081 PolarHBondContact O-N 3.2Å; P1078-M1082 VanDerWaalsContact O-CG 3.27Å; P1078-M1082 WeakPolarHBondContact O-CG 3.44Å; P1078-M1082 PolarHBondContact O-N 3.49Å
1079	L	77.5	Confident	76.5	Confident	8 Å²	8	51.3 Å²	51.3	4%	0.042	26%	0.264	C	S	.	.	H	α-helix	trans	-65.9	-40.9	178.1	-167.2	64.7	0	0	0	112.5	L1021 L1039 V1041 Y1047 T1077 M1082 H1083	L1021-L1079 HydrophobicContact CD1-CD1 3.93Å; L1021-L1079 HydrophobicContact CD1-CD2 3.86Å; L1021-L1079 HydrophobicContact CD1-CG 3.92Å; L1021-L1079 HydrophobicContact CD2-CG 4.4Å; L1039-L1079 HydrophobicContact CD2-CD2 3.77Å; V1041-L1079 HydrophobicContact CG2-CD1 4.23Å; V1041-L1079 HydrophobicContact CG2-CD2 4.37Å; Y1047-L1079 HydrophobicContact CD1-CD2 4.1Å; Y1047-L1079 HydrophobicContact CE1-CB 4.32Å; Y1047-L1079 HydrophobicContact CE1-CD2 4.5Å; T1077-L1079 PolarHBondContact O-N 3.13Å; L1079-M1082 PolarHBondContact O-N 3.42Å; L1079-H1083 PolarHBondContact O-N 3.12Å; L1079-H1083 VanDerWaalsContact O-N 3.11Å
1080	E	77.4	Confident	75.9	Confident	52 Å²	52	51.3 Å²	51.3	24%	0.243	27%	0.267	C	S	.	.	H	α-helix	trans	-68.3	-36.8	174.7	-71	165.7	149.2	0	0	112.2	P1019 L1076 T1077 H1083 H1084	P1019-E1080 HydrophobicContact CG-CG 4.32Å; L1076-E1080 HydrophobicContact CB-CB 4.02Å; L1076-E1080 HydrophobicContact CD2-CB 4.11Å; L1076-E1080 HydrophobicContact CG-CB 4.47Å; T1077-E1080 WeakPolarHBondContact CB-OE2 3.4Å; T1077-E1080 PolarHBondContact N-OE2 2.88Å; T1077-E1080 PolarHBondContact O-N 3.43Å; T1077-E1080 VanDerWaalsContact O-N 3.07Å; T1077-E1080 WeakPolarHBondContact OG1-CB 3.42Å; T1077-E1080 WeakPolarHBondContact OG1-CG 3.35Å; T1077-E1080 PolarHBondContact OG1-N 3.09Å; T1077-E1080 PolarHBondContact OG1-OE2 2.8Å; E1080-H1083 PolarHBondContact O-N 2.65Å; E1080-H1084 WeakPolarHBondContact O-CB 3.3Å; E1080-H1084 PolarHBondContact O-N 3.06Å
1081	R	79.6	Confident	74.5	Confident	34 Å²	34	53.2 Å²	53.2	13%	0.128	29%	0.285	C	S	.	.	H	α-helix	trans	-60.5	-48.1	173.8	-67.9	177.1	-160.2	-169.1	1.7	110.8	L936 W1065 L1076 T1077 P1078 H1083 H1084 E1085	L936-R1081 HydrophobicContact CD2-CB 3.96Å; W1065-R1081 HydrophobicContact CD2-CG 3.89Å; W1065-R1081 HydrophobicContact CE3-CG 3.99Å; W1065-R1081 HydrophobicContact CG-CG 4.17Å; W1065-R1081 HydrophobicContact CZ3-CG 4.41Å; L1076-R1081 HydrophobicContact CB-CG 3.65Å; L1076-R1081 HydrophobicContact CD1-CG 4.48Å; L1076-R1081 PolarHBondContact O-NE 3.45Å; L1076-R1081 PolarHBondContact O-NH2 3.25Å; L1076-R1081 VanDerWaalsContact O-NH2 3.13Å; T1077-R1081 WeakPolarHBondContact O-CG 3.49Å; T1077-R1081 PolarHBondContact O-N 3.42Å; P1078-R1081 PolarHBondContact O-N 3.2Å; R1081-H1083 VanDerWaalsContact C-N 3.28Å; R1081-H1083 PolarHBondContact O-N 3.01Å; R1081-H1084 PolarHBondContact O-N 2.77Å; R1081-E1085 WeakPolarHBondContact O-CG 3.5Å; R1081-E1085 PolarHBondContact O-N 3.26Å
1082	M	77.3	Confident	73.3	Confident	2 Å²	2	49.6 Å²	49.6	1%	0.01	28%	0.279	C	S	.	.	H	α-helix	trans	-58.6	-41.4	176.4	-66.3	164.5	76.2	0	0	111.7	L936 L943 L1024 P1078 L1079 A1086	L936-M1082 HydrophobicContact CD1-CG 3.44Å; L936-M1082 VanDerWaalsContact CD1-CG 3.44Å; L936-M1082 HydrophobicContact CD1-SD 3.39Å; L936-M1082 WeakPolarHBondContact CD1-SD 3.34Å; L936-M1082 HydrophobicContact CD2-CG 4.41Å; L936-M1082 HydrophobicContact CG-CG 3.91Å; L936-M1082 HydrophobicContact CG-SD 4.45Å; L943-M1082 HydrophobicContact CD1-CE 3.57Å; L1024-M1082 HydrophobicContact CD1-CB 3.97Å; P1078-M1082 VanDerWaalsContact O-CG 3.27Å; P1078-M1082 WeakPolarHBondContact O-CG 3.44Å; P1078-M1082 PolarHBondContact O-N 3.49Å; L1079-M1082 PolarHBondContact O-N 3.42Å; M1082-A1086 WeakPolarHBondContact O-CB 3.48Å; M1082-A1086 PolarHBondContact O-N 3.23Å
1083	H	76.6	Confident	71.7	Confident	40 Å²	40	52.7 Å²	52.7	19%	0.185	29%	0.292	C	S	.	.	H	α-helix	trans	-66.3	-43.2	179.1	178.7	76.4	0	0	0	111.9	D1020 L1021 L1024 L1079 E1080 R1081 A1086 S1087	D1020-H1083 PolarHBondContact O-CE1 2.81Å; D1020-H1083 PolarHBondContact O-ND1 2.9Å; L1021-H1083 HydrophobicContact CD2-CB 3.78Å; L1024-H1083 HydrophobicContact CD1-CB 3.97Å; L1079-H1083 PolarHBondContact O-N 3.12Å; L1079-H1083 VanDerWaalsContact O-N 3.11Å; E1080-H1083 PolarHBondContact O-N 2.65Å; R1081-H1083 VanDerWaalsContact C-N 3.28Å; R1081-H1083 PolarHBondContact O-N 3.01Å; H1083-A1086 PolarHBondContact O-N 3.45Å; H1083-S1087 PolarHBondContact O-N 2.73Å; H1083-S1087 PolarHBondContact O-OG 2.9Å
1084	H	77.6	Confident	69.9	Low	37 Å²	37	52.7 Å²	52.7	17%	0.171	29%	0.291	C	S	.	.	H	α-helix	trans	-63.5	-49.5	175.8	-178.2	73.1	0	0	0	111.3	W1065 C1067 C1070 L1072 L1076 E1080 R1081 A1086 S1087 C1088	W1065-H1084 AromaticContact CH2-CD2 3.71Å; W1065-H1084 HydrophobicContact CZ3-CB 4.47Å; W1065-H1084 AromaticContact CZ3-CD2 3.64Å; C1067-H1084 VanDerWaalsContact SG-CD2 3.5Å; C1067-H1084 PolarHBondContact SG-NE2 3.38Å; C1070-H1084 PolarHBondContact SG-NE2 3.32Å; L1072-H1084 VanDerWaalsContact CD2-CE1 3.42Å; L1072-H1084 WeakPolarHBondContact CD2-CE1 3.24Å; L1076-H1084 HydrophobicContact CD1-CB 4.37Å; E1080-H1084 WeakPolarHBondContact O-CB 3.3Å; E1080-H1084 PolarHBondContact O-N 3.06Å; R1081-H1084 PolarHBondContact O-N 2.77Å; H1084-A1086 VanDerWaalsContact C-N 3.25Å; H1084-A1086 PolarHBondContact O-N 2.62Å; H1084-S1087 CarbonylContact O-C 3.5Å; H1084-S1087 PolarHBondContact O-N 3.38Å; H1084-S1087 PolarHBondContact O-OG 3.11Å; H1084-S1087 VanDerWaalsContact O-OG 3.07Å; H1084-C1088 WeakPolarHBondContact O-CB 3.48Å; H1084-C1088 PolarHBondContact O-N 3.11Å
1085	E	75.6	Confident	68.1	Low	61 Å²	61	57.5 Å²	57.5	29%	0.285	31%	0.313	S	S	.	.	H	α-helix	trans	-56.8	-38.5	177.8	-75.1	-175.4	167.7	0	0	112.7	W1065 R1081 S1087 C1088	W1065-E1085 HydrophobicContact CH2-CG 3.8Å; W1065-E1085 HydrophobicContact CZ2-CG 3.84Å; W1065-E1085 WeakPolarHBondContact CZ2-OE1 3.39Å; R1081-E1085 WeakPolarHBondContact O-CG 3.5Å; R1081-E1085 PolarHBondContact O-N 3.26Å; E1085-S1087 VanDerWaalsContact C-N 3.29Å; E1085-S1087 PolarHBondContact O-N 2.9Å; E1085-C1088 PolarHBondContact O-N 3.43Å
1086	A	72.2	Confident	66.3	Low	58 Å²	58	62.8 Å²	62.8	48%	0.479	33%	0.334	S	S	.	.	H	α-helix	trans	-67.8	-26.7	178.3	0	0	0	0	0	113.9	L1024 M1082 H1083 H1084	L1024-A1086 HydrophobicContact CD2-CB 3.45Å; L1024-A1086 VanDerWaalsContact CD2-CB 3.45Å; L1024-A1086 HydrophobicContact CG-CB 3.87Å; M1082-A1086 WeakPolarHBondContact O-CB 3.48Å; M1082-A1086 PolarHBondContact O-N 3.23Å; H1083-A1086 PolarHBondContact O-N 3.45Å; H1084-A1086 VanDerWaalsContact C-N 3.25Å; H1084-A1086 PolarHBondContact O-N 2.62Å
1087	S	71.3	Confident	64.3	Low	60 Å²	60	64.8 Å²	64.8	42%	0.42	35%	0.353	S	S	.	.	H	α-helix	trans	-100.2	-11.5	179.4	52.7	0	0	0	0	113.6	H1083 H1084 E1085	H1083-S1087 PolarHBondContact O-N 2.73Å; H1083-S1087 PolarHBondContact O-OG 2.9Å; H1084-S1087 CarbonylContact O-C 3.5Å; H1084-S1087 PolarHBondContact O-N 3.38Å; H1084-S1087 PolarHBondContact O-OG 3.11Å; H1084-S1087 VanDerWaalsContact O-OG 3.07Å; E1085-S1087 VanDerWaalsContact C-N 3.29Å; E1085-S1087 PolarHBondContact O-N 2.9Å
1088	C	75	Confident	62.5	Low	16 Å²	16	71.3 Å²	71.3	11%	0.108	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-91.7	119.4	-171.4	-170.8	0	0	0	0	112.9	N1069 C1070 H1084 E1085	N1069-C1088 HydrophobicContact CB-CB 4.37Å; N1069-C1088 VanDerWaalsContact CB-SG 3.53Å; N1069-C1088 PolarHBondContact ND2-O 2.89Å; C1070-C1088 WeakPolarHBondContact CB-SG 3.45Å; C1070-C1088 PolarHBondContact SG-SG 2.79Å; H1084-C1088 WeakPolarHBondContact O-CB 3.48Å; H1084-C1088 PolarHBondContact O-N 3.11Å; E1085-C1088 PolarHBondContact O-N 3.43Å
1089	R	68.8	Low	60.4	Low	150 Å²	150	79.3 Å²	79.3	57%	0.566	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-95.4	148.4	175.8	-61.7	-171.3	-173.5	-179.7	1.9	112.4
1090	P	66	Low	58.4	Low	59 Å²	59	87.9 Å²	87.9	38%	0.383	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-60.4	149.4	175	-17.3	29.4	0	0	0	112.1	G1092 E1093	P1090-G1092 PolarHBondContact O-N 3.43Å; P1090-E1093 PolarHBondContact O-N 3.34Å
1091	A	50.9	Low	56.2	Low	78 Å²	78	89.7 Å²	89.7	65%	0.645	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-23.8	-177.8	0	0	0	0	0	115
1092	G	50.4	Low	54	Low	56 Å²	56	91.9 Å²	91.9	58%	0.577	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-27.9	-179.7	0	0	0	0	0	116	P1090 R1094	P1090-G1092 PolarHBondContact O-N 3.43Å; G1092-R1094 VanDerWaalsContact C-N 3.31Å; G1092-R1094 PolarHBondContact O-N 3.31Å
1093	E	46.9	Very low	51.7	Low	110 Å²	110	99.4 Å²	99.4	51%	0.514	55%	0.55	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.5	-4.2	-179.4	-75.5	-177.1	170.8	0	0	113.2	P1090 Q1095	P1090-E1093 PolarHBondContact O-N 3.34Å; E1093-Q1095 VanDerWaalsContact C-N 3.27Å; E1093-Q1095 PolarHBondContact O-N 3.38Å
1094	R	44.7	Very low	49.7	Very low	142 Å²	142	100.7 Å²	100.7	54%	0.536	57%	0.574	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72	-22.1	175.3	-70.2	-176.5	-176.2	-178.7	1.2	112.5	G1092	G1092-R1094 VanDerWaalsContact C-N 3.31Å; G1092-R1094 PolarHBondContact O-N 3.31Å
1095	Q	38.6	Very low	47.4	Very low	151 Å²	151	108.7 Å²	108.7	71%	0.706	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	-33.7	-177.1	-77.6	178.6	-16.5	0	0	113.9	E1093	E1093-Q1095 VanDerWaalsContact C-N 3.27Å; E1093-Q1095 PolarHBondContact O-N 3.38Å
1096	E	36.3	Very low	45.4	Very low	158 Å²	158	111.8 Å²	111.8	74%	0.738	64%	0.637	S	S	*	*	H	α-helix	trans	-76.7	-24.5	-179.4	-72.5	-177.6	165.9	0	0	113.4
1097	A	32.8	Very low	43.2	Very low	57 Å²	57	112.5 Å²	112.5	47%	0.471	65%	0.65	S	S	.	*	H	α-helix	trans	-78.7	-17.4	177.9	0	0	0	0	0	113.7
1098	E	38.2	Very low	41.1	Very low	157 Å²	157	115 Å²	115	73%	0.734	67%	0.667	S	S	*	*	H	α-helix	trans	-89.2	-16.6	178.1	-73.4	-174.5	166.2	0	0	113
1099	E	35	Very low	39	Very low	179 Å²	179	119.1 Å²	119.1	84%	0.836	70%	0.696	S	S	*	*	H	α-helix	trans	-87.5	-15.1	179	-74.1	-168.7	160.8	0	0	114.8
1100	E	35.3	Very low	37.4	Very low	188 Å²	188	116.6 Å²	116.6	88%	0.879	71%	0.707	S	S	*	*	S	Bend	trans	-96.1	2.8	177.4	-82.7	-165.5	159	0	0	115.2
1101	S	31.4	Very low	35.8	Very low	90 Å²	90	122.8 Å²	122.8	63%	0.629	73%	0.728	S	S	*	*			trans	-120.7	66.5	176.3	60.8	0	0	0	0	112.7	D1103	S1101-D1103 PolarHBondContact O-N 3.18Å
1102	G	33.1	Very low	35.4	Very low	81 Å²	81	121.6 Å²	121.6	84%	0.835	72%	0.715	S	S	*	*			trans	-71.1	88.8	162.7	0	0	0	0	0	111.1
1103	D	30.1	Very low	35.1	Very low	160 Å²	160	124.8 Å²	124.8	86%	0.856	73%	0.729	S	S	*	*			trans	-155.4	132	141.9	-143.1	-4.3	0	0	0	111.9	S1101 K1105	S1101-D1103 PolarHBondContact O-N 3.18Å; D1103-K1105 PolarHBondContact O-N 3.45Å
1104	G	34.2	Very low	35.2	Very low	67 Å²	67	123 Å²	123	69%	0.691	72%	0.722	S	S	*	*			trans	-71.1	125.8	-171.3	0	0	0	0	0	112.9
1105	K	29.5	Very low	35.5	Very low	204 Å²	204	119.2 Å²	119.2	89%	0.887	72%	0.715	S	S	*	*			trans	-159.2	113.2	147.6	-106.8	164.9	-168.3	177.6	0	110	D1103 G1107	D1103-K1105 PolarHBondContact O-N 3.45Å; K1105-G1107 PolarHBondContact O-N 2.98Å
1106	S	31.8	Very low	36.4	Very low	127 Å²	127	116 Å²	116	89%	0.888	70%	0.696	S	S	*	*			trans	-57	124.2	165.1	52.2	0	0	0	0	110.9
1107	G	27.1	Very low	37.9	Very low	73 Å²	73	112.8 Å²	112.8	75%	0.753	69%	0.688	S	S	*	*			trans	157	122.5	163.4	0	0	0	0	0	115.2	K1105	K1105-G1107 PolarHBondContact O-N 2.98Å
1108	S	26.6	Very low	40	Very low	111 Å²	111	111.7 Å²	111.7	78%	0.776	67%	0.671	S	S	*	*			trans	81.1	82.6	165	-173.3	0	0	0	0	117.2	A1110	S1108-A1110 PolarHBondContact O-N 2.86Å
1109	S	31.1	Very low	42	Very low	104 Å²	104	108 Å²	108	73%	0.727	65%	0.654	S	S	*	*			trans	-37.1	125.2	145.4	161.3	0	0	0	0	109.8	K1111	S1109-K1111 VanDerWaalsContact C-N 3.3Å; S1109-K1111 PolarHBondContact O-N 3.22Å
1110	A	34.7	Very low	44.2	Very low	96 Å²	96	99.5 Å²	99.5	79%	0.793	61%	0.614	S	S	*	*			trans	-55.8	96.2	172.8	0	0	0	0	0	108.5	S1108 S1112	S1108-A1110 PolarHBondContact O-N 2.86Å; A1110-S1112 PolarHBondContact O-N 3.19Å
1111	K	34	Very low	46.2	Very low	189 Å²	189	97.4 Å²	97.4	82%	0.822	61%	0.609	S	S	*	*			trans	-60.3	108.9	172.7	-78.8	-176.9	176.2	-179.3	0	107.1	S1109 S1113	S1109-K1111 VanDerWaalsContact C-N 3.3Å; S1109-K1111 PolarHBondContact O-N 3.22Å; K1111-S1113 PolarHBondContact O-N 3.45Å
1112	S	41.3	Very low	48.5	Very low	54 Å²	54	98.1 Å²	98.1	38%	0.378	61%	0.61	S	S	.	*			trans	-17.8	115.9	163.3	176.1	0	0	0	0	112.8	A1110 L1114	A1110-S1112 PolarHBondContact O-N 3.19Å; S1112-L1114 PolarHBondContact O-N 3.22Å; S1112-L1114 WeakPolarHBondContact OG-CB 3.43Å; S1112-L1114 PolarHBondContact OG-N 3.26Å
1113	S	44.2	Very low	50.8	Low	122 Å²	122	96.6 Å²	96.6	85%	0.853	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.6	13.4	170.5	46.7	0	0	0	0	113.9	K1111	K1111-S1113 PolarHBondContact O-N 3.45Å
1114	L	48.5	Very low	53.1	Low	73 Å²	73	95.2 Å²	95.2	38%	0.382	58%	0.578	S	S	.	*	T	Hydrogen-bonded Turn	trans	-115.5	9.1	-175.2	-59	165.7	0	0	0	113.3	M1074 S1112	M1074-L1114 HydrophobicContact CE-CD1 3.44Å; M1074-L1114 VanDerWaalsContact CE-CD1 3.44Å; M1074-L1114 HydrophobicContact SD-CD1 4.49Å; S1112-L1114 PolarHBondContact O-N 3.22Å; S1112-L1114 WeakPolarHBondContact OG-CB 3.43Å; S1112-L1114 PolarHBondContact OG-N 3.26Å
1115	T	52.8	Low	55.3	Low	62 Å²	62	97.6 Å²	97.6	38%	0.38	57%	0.571	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-81.3	129.1	172.3	55.9	0	0	0	0	110.8	T1130	T1115-T1130 HydrophobicContact CG2-CG2 3.74Å
1116	R	56.4	Low	57.6	Low	84 Å²	84	93.2 Å²	93.2	32%	0.317	56%	0.558	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.2	155.6	174	-54.9	-172.5	-170.3	-159.2	4.7	110	E1017 K1128 L1129	E1017-R1116 IonicContact OE2-CZ 3.56Å; E1017-R1116 IonicContact OE2-NE 2.75Å; E1017-R1116 IonicContact OE2-NH1 3.93Å; E1017-R1116 PolarHBondContact OE2-NH1 3.44Å; R1116-K1128 CarbonylContact O-C 3.29Å; R1116-K1128 WeakPolarHBondContact O-CA 3.28Å; R1116-L1129 PolarHBondContact N-O 3.11Å; R1116-L1129 PolarHBondContact O-N 3.24Å; R1116-L1129 VanDerWaalsContact O-O 3.06Å
1117	V	67.9	Low	59.9	Low	91 Å²	91	89 Å²	89	55%	0.552	53%	0.525	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.5	120.5	170.4	-177.5	0	0	0	0	107.3	D1126 K1128	V1117-D1126 HydrophobicContact CG1-CB 4.06Å; V1117-K1128 HydrophobicContact CG2-CG 3.89Å
1118	Y	76.8	Confident	62.2	Low	34 Å²	34	93.1 Å²	93.1	13%	0.133	52%	0.522	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	111	179	169.2	-104.7	0	0	0	108.6	C1120 L1127 L1129 I1134 H1137 K1138	Y1118-C1120 HydrophobicContact CD1-CB 4.27Å; Y1118-C1120 HydrophobicContact CE1-CB 3.55Å; Y1118-L1127 PolarHBondContact N-O 3.42Å; Y1118-L1127 PolarHBondContact O-N 3.16Å; Y1118-L1129 HydrophobicContact CD1-CD1 4.31Å; Y1118-I1134 HydrophobicContact CD1-CG1 4.16Å; Y1118-I1134 HydrophobicContact CD1-CG2 4.02Å; Y1118-I1134 HydrophobicContact CD2-CD1 4.21Å; Y1118-I1134 HydrophobicContact CD2-CG1 4.26Å; Y1118-I1134 HydrophobicContact CD2-CG2 3.56Å; Y1118-I1134 HydrophobicContact CE1-CG2 4.12Å; Y1118-I1134 HydrophobicContact CE2-CG2 3.67Å; Y1118-I1134 HydrophobicContact CG-CB 4.33Å; Y1118-I1134 HydrophobicContact CG-CD1 3.98Å; Y1118-I1134 HydrophobicContact CG-CG1 3.74Å; Y1118-I1134 HydrophobicContact CG-CG2 3.75Å; Y1118-H1137 AromaticContact CE1-CD2 3.74Å; Y1118-K1138 VanDerWaalsContact CE2-CE 3.4Å; Y1118-K1138 VanDerWaalsContact CZ-CE 3.44Å; Y1118-K1138 WeakPolarHBondContact OH-CE 3.46Å; Y1118-K1138 WeakPolarHBondContact OH-CG 3.31Å
1119	H	80.4	Confident	64.5	Low	79 Å²	79	89.3 Å²	89.3	37%	0.366	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	123.8	167.9	-172.4	73.9	0	0	0	108.7	D1121 D1124 D1126	H1119-D1121 IonicContact CD2-OD1 3.68Å; H1119-D1124 IonicContact CE1-OD1 2.77Å; H1119-D1124 IonicContact NE2-OD1 2.66Å; H1119-D1126 VanDerWaalsContact CB-OD1 3.28Å; H1119-D1126 WeakPolarHBondContact CB-OD1 3.48Å; H1119-D1126 IonicContact CE1-OD1 2.7Å; H1119-D1126 IonicContact CG-OD1 3.04Å; H1119-D1126 IonicContact ND1-OD1 3.96Å; H1119-D1126 PolarHBondContact ND1-OD1 2.68Å
1120	C	81.6	Confident	66.2	Low	1 Å²	1	85.5 Å²	85.5	1%	0.007	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	111.8	174.8	-168.4	0	0	0	0	111	Y1118 V1122 C1123 D1124 E1125 H1137	Y1118-C1120 HydrophobicContact CD1-CB 4.27Å; Y1118-C1120 HydrophobicContact CE1-CB 3.55Å; C1120-V1122 PolarHBondContact O-N 2.91Å; C1120-C1123 HydrophobicContact CB-CB 4.08Å; C1120-C1123 PolarHBondContact O-N 3.06Å; C1120-D1124 WeakPolarHBondContact O-CA 3.48Å; C1120-D1124 PolarHBondContact O-N 3.17Å; C1120-E1125 PolarHBondContact N-O 2.79Å; C1120-E1125 VanDerWaalsContact N-O 3.08Å; C1120-H1137 WeakPolarHBondContact CB-NE2 3.3Å; C1120-H1137 VanDerWaalsContact SG-CD2 3.59Å; C1120-H1137 PolarHBondContact SG-NE2 3.01Å
1121	D	76.4	Confident	67.7	Low	144 Å²	144	83.9 Å²	83.9	77%	0.77	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-16.2	178.9	-48.8	-33.6	0	0	0	114.6	H1119	H1119-D1121 IonicContact CD2-OD1 3.68Å
1122	V	79.9	Confident	68.7	Low	105 Å²	105	78.9 Å²	78.9	64%	0.636	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-31.2	178.8	-173.2	0	0	0	0	112.1	C1120 H1141	C1120-V1122 PolarHBondContact O-N 2.91Å; V1122-H1141 HydrophobicContact CG1-CB 4.33Å; V1122-H1141 HydrophobicContact CG2-CB 4.49Å
1123	C	80.5	Confident	70.1	Confident	48 Å²	48	80.3 Å²	80.3	32%	0.324	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-16.8	177.6	-67.2	0	0	0	0	113.3	C1120 E1125 H1137 H1141	C1120-C1123 HydrophobicContact CB-CB 4.08Å; C1120-C1123 PolarHBondContact O-N 3.06Å; C1123-E1125 HydrophobicContact CB-CB 4.4Å; C1123-E1125 PolarHBondContact O-N 2.89Å; C1123-H1137 VanDerWaalsContact SG-CE1 3.59Å; C1123-H1141 PolarHBondContact SG-CE1 3.37Å; C1123-H1141 PolarHBondContact SG-NE2 3.33Å
1124	D	80.4	Confident	71.6	Confident	131 Å²	131	75.6 Å²	75.6	70%	0.701	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	37.5	-171.6	-156.5	28.6	0	0	0	112.9	H1119 C1120	H1119-D1124 IonicContact CE1-OD1 2.77Å; H1119-D1124 IonicContact NE2-OD1 2.66Å; C1120-D1124 WeakPolarHBondContact O-CA 3.48Å; C1120-D1124 PolarHBondContact O-N 3.17Å
1125	E	78.8	Confident	72.6	Confident	117 Å²	117	77 Å²	77	55%	0.547	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	142.5	-179.3	-72.7	-173.2	173.7	0	0	111.7	C1120 C1123 L1127	C1120-E1125 PolarHBondContact N-O 2.79Å; C1120-E1125 VanDerWaalsContact N-O 3.08Å; C1123-E1125 HydrophobicContact CB-CB 4.4Å; C1123-E1125 PolarHBondContact O-N 2.89Å; E1125-L1127 HydrophobicContact CB-CD2 4.37Å; E1125-L1127 HydrophobicContact CB-CG 4.46Å
1126	D	79.1	Confident	73.5	Confident	113 Å²	113	81 Å²	81	60%	0.604	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.7	104.3	172.5	-72.2	-21.8	0	0	0	110.5	V1117 H1119	V1117-D1126 HydrophobicContact CG1-CB 4.06Å; H1119-D1126 VanDerWaalsContact CB-OD1 3.28Å; H1119-D1126 WeakPolarHBondContact CB-OD1 3.48Å; H1119-D1126 IonicContact CE1-OD1 2.7Å; H1119-D1126 IonicContact CG-OD1 3.04Å; H1119-D1126 IonicContact ND1-OD1 3.96Å; H1119-D1126 PolarHBondContact ND1-OD1 2.68Å
1127	L	78.5	Confident	74.4	Confident	38 Å²	38	78.2 Å²	78.2	20%	0.199	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	129.7	-176.4	-58.8	172	0	0	0	110.9	Y1118 E1125 L1129 H1137	Y1118-L1127 PolarHBondContact N-O 3.42Å; Y1118-L1127 PolarHBondContact O-N 3.16Å; E1125-L1127 HydrophobicContact CB-CD2 4.37Å; E1125-L1127 HydrophobicContact CB-CG 4.46Å; L1127-L1129 HydrophobicContact CB-CD1 3.79Å; L1127-L1129 HydrophobicContact CB-CD2 4.34Å; L1127-L1129 HydrophobicContact CB-CG 3.7Å; L1127-L1129 HydrophobicContact CD1-CD1 4.01Å; L1127-L1129 PolarHBondContact O-N 2.79Å; L1127-H1137 WeakPolarHBondContact CD1-CE1 3.32Å
1128	K	76.8	Confident	74.8	Confident	160 Å²	160	78.8 Å²	78.8	70%	0.696	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.4	94.1	170.6	-78.1	-176.3	-179.1	-177.3	0	110.1	R1116 V1117	R1116-K1128 CarbonylContact O-C 3.29Å; R1116-K1128 WeakPolarHBondContact O-CA 3.28Å; V1117-K1128 HydrophobicContact CG2-CG 3.89Å
1129	L	73.9	Confident	74.7	Confident	31 Å²	31	84.5 Å²	84.5	16%	0.162	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	145.4	-173.7	-62.4	-179	0	0	0	110.7	R1116 Y1118 L1127 E1133 I1134 H1137	R1116-L1129 PolarHBondContact N-O 3.11Å; R1116-L1129 PolarHBondContact O-N 3.24Å; R1116-L1129 VanDerWaalsContact O-O 3.06Å; Y1118-L1129 HydrophobicContact CD1-CD1 4.31Å; L1127-L1129 HydrophobicContact CB-CD1 3.79Å; L1127-L1129 HydrophobicContact CB-CD2 4.34Å; L1127-L1129 HydrophobicContact CB-CG 3.7Å; L1127-L1129 HydrophobicContact CD1-CD1 4.01Å; L1127-L1129 PolarHBondContact O-N 2.79Å; L1129-E1133 HydrophobicContact CB-CB 3.76Å; L1129-E1133 HydrophobicContact CD1-CB 4.43Å; L1129-E1133 HydrophobicContact CD2-CB 4Å; L1129-E1133 HydrophobicContact CG-CB 4.25Å; L1129-I1134 HydrophobicContact CB-CG1 3.65Å; L1129-I1134 HydrophobicContact CD1-CG1 4.35Å; L1129-H1137 HydrophobicContact CD1-CB 3.99Å
1130	T	67.8	Low	74.3	Confident	23 Å²	23	86.9 Å²	86.9	14%	0.141	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	158.2	164.4	57.3	0	0	0	0	110.7	T1115 T1132 E1133 I1134	T1115-T1130 HydrophobicContact CG2-CG2 3.74Å; T1130-T1132 PolarHBondContact O-N 3.14Å; T1130-T1132 PolarHBondContact OG1-OG1 3.39Å; T1130-E1133 PolarHBondContact N-OE2 3.34Å; T1130-E1133 WeakPolarHBondContact O-CA 3.3Å; T1130-E1133 WeakPolarHBondContact O-CB 3.27Å; T1130-E1133 PolarHBondContact O-N 2.91Å; T1130-E1133 VanDerWaalsContact OG1-CG 3.26Å; T1130-E1133 WeakPolarHBondContact OG1-CG 3.5Å; T1130-E1133 PolarHBondContact OG1-N 2.82Å; T1130-E1133 PolarHBondContact OG1-OE2 3.24Å; T1130-I1134 WeakPolarHBondContact O-CG1 3.31Å; T1130-I1134 PolarHBondContact O-N 3.41Å
1131	S	64.8	Low	74	Confident	62 Å²	62	89 Å²	89	43%	0.434	45%	0.447	S	S	.	.	H	α-helix	trans	-54.5	-30.4	-179.4	-52.9	0	0	0	0	113.8	L1135	S1131-L1135 WeakPolarHBondContact O-CG 3.39Å; S1131-L1135 PolarHBondContact O-N 3.45Å
1132	T	55.8	Low	73.1	Confident	84 Å²	84	89.1 Å²	89.1	52%	0.515	44%	0.444	S	S	.	.	H	α-helix	trans	-75.1	-36.2	174.9	46	0	0	0	0	112.8	T1130 L1135 K1136	T1130-T1132 PolarHBondContact O-N 3.14Å; T1130-T1132 PolarHBondContact OG1-OG1 3.39Å; T1132-L1135 PolarHBondContact O-N 2.8Å; T1132-K1136 WeakPolarHBondContact O-CG 3.49Å; T1132-K1136 PolarHBondContact O-N 3.22Å
1133	E	70.5	Confident	72.1	Confident	84 Å²	84	92.2 Å²	92.2	39%	0.393	45%	0.449	S	S	.	.	H	α-helix	trans	-70.6	-36.5	173.7	-73.4	165.2	157.5	0	0	111.9	L1129 T1130 L1135 K1136 H1137	L1129-E1133 HydrophobicContact CB-CB 3.76Å; L1129-E1133 HydrophobicContact CD1-CB 4.43Å; L1129-E1133 HydrophobicContact CD2-CB 4Å; L1129-E1133 HydrophobicContact CG-CB 4.25Å; T1130-E1133 PolarHBondContact N-OE2 3.34Å; T1130-E1133 WeakPolarHBondContact O-CA 3.3Å; T1130-E1133 WeakPolarHBondContact O-CB 3.27Å; T1130-E1133 PolarHBondContact O-N 2.91Å; T1130-E1133 VanDerWaalsContact OG1-CG 3.26Å; T1130-E1133 WeakPolarHBondContact OG1-CG 3.5Å; T1130-E1133 PolarHBondContact OG1-N 2.82Å; T1130-E1133 PolarHBondContact OG1-OE2 3.24Å; E1133-L1135 VanDerWaalsContact C-N 3.34Å; E1133-L1135 PolarHBondContact O-N 3Å; E1133-K1136 PolarHBondContact O-N 3.3Å; E1133-H1137 WeakPolarHBondContact O-CB 3.49Å; E1133-H1137 PolarHBondContact O-N 3.42Å
1134	I	75.7	Confident	70.8	Confident	24 Å²	24	94.8 Å²	94.8	12%	0.123	47%	0.468	C	S	.	.	H	α-helix	trans	-60.1	-46.4	171.6	-63.2	170.7	0	0	0	110.2	Y1118 L1129 T1130 H1137 K1138	Y1118-I1134 HydrophobicContact CD1-CG1 4.16Å; Y1118-I1134 HydrophobicContact CD1-CG2 4.02Å; Y1118-I1134 HydrophobicContact CD2-CD1 4.21Å; Y1118-I1134 HydrophobicContact CD2-CG1 4.26Å; Y1118-I1134 HydrophobicContact CD2-CG2 3.56Å; Y1118-I1134 HydrophobicContact CE1-CG2 4.12Å; Y1118-I1134 HydrophobicContact CE2-CG2 3.67Å; Y1118-I1134 HydrophobicContact CG-CB 4.33Å; Y1118-I1134 HydrophobicContact CG-CD1 3.98Å; Y1118-I1134 HydrophobicContact CG-CG1 3.74Å; Y1118-I1134 HydrophobicContact CG-CG2 3.75Å; L1129-I1134 HydrophobicContact CB-CG1 3.65Å; L1129-I1134 HydrophobicContact CD1-CG1 4.35Å; T1130-I1134 WeakPolarHBondContact O-CG1 3.31Å; T1130-I1134 PolarHBondContact O-N 3.41Å; I1134-H1137 PolarHBondContact O-N 2.81Å; I1134-K1138 HydrophobicContact CG2-CD 4.32Å; I1134-K1138 HydrophobicContact CG2-CG 4.5Å; I1134-K1138 WeakPolarHBondContact O-CB 3.32Å; I1134-K1138 WeakPolarHBondContact O-CG 3.45Å; I1134-K1138 PolarHBondContact O-N 3.44Å
1135	L	69.4	Low	69.4	Low	102 Å²	102	92.7 Å²	92.7	53%	0.534	47%	0.469	S	S	.	.	H	α-helix	trans	-64.6	-39.1	177	-77.2	168.3	0	0	0	112.2	S1131 T1132 E1133 R1139	S1131-L1135 WeakPolarHBondContact O-CG 3.39Å; S1131-L1135 PolarHBondContact O-N 3.45Å; T1132-L1135 PolarHBondContact O-N 2.8Å; E1133-L1135 VanDerWaalsContact C-N 3.34Å; E1133-L1135 PolarHBondContact O-N 3Å; L1135-R1139 WeakPolarHBondContact O-CB 3.28Å; L1135-R1139 PolarHBondContact O-N 3.19Å
1136	K	72.4	Confident	67.5	Low	146 Å²	146	99.4 Å²	99.4	64%	0.635	50%	0.496	S	S	*	.	H	α-helix	trans	-64.5	-43.9	173.7	-79.6	-179.4	179.4	178.1	0	111.7	T1132 E1133 R1139 Q1140	T1132-K1136 WeakPolarHBondContact O-CG 3.49Å; T1132-K1136 PolarHBondContact O-N 3.22Å; E1133-K1136 PolarHBondContact O-N 3.3Å; K1136-R1139 PolarHBondContact O-N 3.18Å; K1136-Q1140 WeakPolarHBondContact O-CG 3.49Å; K1136-Q1140 PolarHBondContact O-N 2.95Å
1137	H	76.1	Confident	66.9	Low	26 Å²	26	98.7 Å²	98.7	12%	0.12	49%	0.491	C	S	.	.	H	α-helix	trans	-64.2	-45.7	178.5	-176.1	85.1	0	0	0	111.4	Y1118 C1120 C1123 L1127 L1129 E1133 I1134 R1139 Q1140 H1141	Y1118-H1137 AromaticContact CE1-CD2 3.74Å; C1120-H1137 WeakPolarHBondContact CB-NE2 3.3Å; C1120-H1137 VanDerWaalsContact SG-CD2 3.59Å; C1120-H1137 PolarHBondContact SG-NE2 3.01Å; C1123-H1137 VanDerWaalsContact SG-CE1 3.59Å; L1127-H1137 WeakPolarHBondContact CD1-CE1 3.32Å; L1129-H1137 HydrophobicContact CD1-CB 3.99Å; E1133-H1137 WeakPolarHBondContact O-CB 3.49Å; E1133-H1137 PolarHBondContact O-N 3.42Å; I1134-H1137 PolarHBondContact O-N 2.81Å; H1137-R1139 VanDerWaalsContact C-N 3.28Å; H1137-R1139 PolarHBondContact O-N 3.13Å; H1137-Q1140 WeakPolarHBondContact O-CB 3.48Å; H1137-Q1140 PolarHBondContact O-N 2.96Å; H1137-H1141 AromaticContact CD2-CD2 3.85Å; H1137-H1141 AromaticContact CD2-NE2 3.65Å; H1137-H1141 AromaticContact CE1-NE2 3.52Å; H1137-H1141 AromaticContact NE2-CD2 3.72Å; H1137-H1141 AromaticContact NE2-NE2 3.06Å; H1137-H1141 PolarHBondContact NE2-NE2 3.4Å; H1137-H1141 PolarHBondContact O-CD2 3.24Å; H1137-H1141 VanDerWaalsContact O-CD2 3.27Å; H1137-H1141 PolarHBondContact O-N 2.69Å
1138	K	75.1	Confident	66.3	Low	103 Å²	103	101.9 Å²	101.9	45%	0.448	51%	0.506	S	S	.	.	H	α-helix	trans	-58.5	-39.2	171	-75.4	-174.9	176.4	-173.5	0	112.3	Y1118 I1134 H1141 M1142	Y1118-K1138 VanDerWaalsContact CE2-CE 3.4Å; Y1118-K1138 VanDerWaalsContact CZ-CE 3.44Å; Y1118-K1138 WeakPolarHBondContact OH-CE 3.46Å; Y1118-K1138 WeakPolarHBondContact OH-CG 3.31Å; I1134-K1138 HydrophobicContact CG2-CD 4.32Å; I1134-K1138 HydrophobicContact CG2-CG 4.5Å; I1134-K1138 WeakPolarHBondContact O-CB 3.32Å; I1134-K1138 WeakPolarHBondContact O-CG 3.45Å; I1134-K1138 PolarHBondContact O-N 3.44Å; K1138-H1141 PolarHBondContact O-N 3.39Å; K1138-M1142 PolarHBondContact O-N 2.88Å
1139	R	74.4	Confident	65.7	Low	153 Å²	153	98.7 Å²	98.7	58%	0.577	50%	0.495	S	S	*	.	H	α-helix	trans	-69.7	-32.3	178.4	-139.6	179.3	-73.7	-179.7	-5.5	112.4	L1135 K1136 H1137 H1141 M1142 F1143	L1135-R1139 WeakPolarHBondContact O-CB 3.28Å; L1135-R1139 PolarHBondContact O-N 3.19Å; K1136-R1139 PolarHBondContact O-N 3.18Å; H1137-R1139 VanDerWaalsContact C-N 3.28Å; H1137-R1139 PolarHBondContact O-N 3.13Å; R1139-H1141 VanDerWaalsContact C-N 3.32Å; R1139-M1142 PolarHBondContact O-N 2.94Å; R1139-F1143 HydrophobicContact CG-CE2 4.37Å; R1139-F1143 WeakPolarHBondContact O-CD2 3.3Å; R1139-F1143 PolarHBondContact O-N 3.05Å
1140	Q	73.3	Confident	65.3	Low	130 Å²	130	102.6 Å²	102.6	61%	0.607	52%	0.515	S	S	*	.	H	α-helix	trans	-62.6	-39	174.2	-76.3	172.2	-20.7	0	0	111.7	K1136 H1137 F1143 S1144	K1136-Q1140 WeakPolarHBondContact O-CG 3.49Å; K1136-Q1140 PolarHBondContact O-N 2.95Å; H1137-Q1140 WeakPolarHBondContact O-CB 3.48Å; H1137-Q1140 PolarHBondContact O-N 2.96Å; Q1140-F1143 PolarHBondContact O-N 2.93Å; Q1140-S1144 PolarHBondContact O-N 3.44Å
1141	H	74.9	Confident	65.1	Low	46 Å²	46	107.6 Å²	107.6	21%	0.213	54%	0.538	C	S	.	.	H	α-helix	trans	-69.1	-32.7	173.9	-66.2	-50.1	0	0	0	113.6	V1122 C1123 H1137 K1138 R1139 F1143 S1144 A1145	V1122-H1141 HydrophobicContact CG1-CB 4.33Å; V1122-H1141 HydrophobicContact CG2-CB 4.49Å; C1123-H1141 PolarHBondContact SG-CE1 3.37Å; C1123-H1141 PolarHBondContact SG-NE2 3.33Å; H1137-H1141 AromaticContact CD2-CD2 3.85Å; H1137-H1141 AromaticContact CD2-NE2 3.65Å; H1137-H1141 AromaticContact CE1-NE2 3.52Å; H1137-H1141 AromaticContact NE2-CD2 3.72Å; H1137-H1141 AromaticContact NE2-NE2 3.06Å; H1137-H1141 PolarHBondContact NE2-NE2 3.4Å; H1137-H1141 PolarHBondContact O-CD2 3.24Å; H1137-H1141 VanDerWaalsContact O-CD2 3.27Å; H1137-H1141 PolarHBondContact O-N 2.69Å; K1138-H1141 PolarHBondContact O-N 3.39Å; R1139-H1141 VanDerWaalsContact C-N 3.32Å; H1141-F1143 VanDerWaalsContact C-N 3.29Å; H1141-F1143 PolarHBondContact O-N 3.26Å; H1141-S1144 PolarHBondContact O-N 3.41Å; H1141-A1145 PolarHBondContact O-N 2.97Å
1142	M	57.9	Low	65.1	Low	145 Å²	145	110.7 Å²	110.7	71%	0.714	55%	0.545	S	S	*	.	H	α-helix	trans	-66.1	-28.6	174.7	-73.4	-172.8	73.1	0	0	113.6	K1138 R1139	K1138-M1142 PolarHBondContact O-N 2.88Å; R1139-M1142 PolarHBondContact O-N 2.94Å
1143	F	57.5	Low	65.8	Low	170 Å²	170	112.6 Å²	112.6	75%	0.746	55%	0.547	S	S	*	.	H	α-helix	trans	-89.1	-16.2	177.1	-81.7	-77.9	0	0	0	113.7	R1139 Q1140 H1141	R1139-F1143 HydrophobicContact CG-CE2 4.37Å; R1139-F1143 WeakPolarHBondContact O-CD2 3.3Å; R1139-F1143 PolarHBondContact O-N 3.05Å; Q1140-F1143 PolarHBondContact O-N 2.93Å; H1141-F1143 VanDerWaalsContact C-N 3.29Å; H1141-F1143 PolarHBondContact O-N 3.26Å
1144	S	53.2	Low	65.4	Low	102 Å²	102	114.8 Å²	114.8	71%	0.713	56%	0.559	S	S	*	*	H	α-helix	trans	-89.4	-6	177.2	-158.6	0	0	0	0	113.8	Q1140 H1141	Q1140-S1144 PolarHBondContact O-N 3.44Å; H1141-S1144 PolarHBondContact O-N 3.41Å
1145	A	52.4	Low	64.6	Low	87 Å²	87	122.3 Å²	122.3	72%	0.719	60%	0.596	S	S	*	*			trans	-103.3	26.7	179.1	0	0	0	0	0	113.8	H1141	H1141-A1145 PolarHBondContact O-N 2.97Å
1146	K	38.3	Very low	64.2	Low	258 Å²	258	124.2 Å²	124.2	100%	1.122	60%	0.601	S	S	*	*			trans	-123.9	0	170.8	-97.8	-170.8	177.2	-178.2	0	111.9

Retrieved 1,146 of 1,146 residues in 389 ms (Link to these results)

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