A0A096MZV9_PAPAN Loading...

Regulator of G-protein signaling 22

Inhibits signal transduction by increasing the GTPase activity of G protein alpha subunits thereby driving them into their inactive GDP-bound form.

AlphaFold DB , UniProt , Accession A0A096MZV9, Species PAPAN (Papio anubis, Olive baboon), Gene RGS22, Length 1,265 aa.

						>A0A096MZV9_PAPAN|A0A096MZV9|RGS22
MPVKRLTAEPPAITEEEFEDSLATDDFLVDYFNEFLSLPTFSEAIRFNADYGVFEVVNDAPQLLEKQLKKILQNQQPRNPIFDVVRKGKNEVKPVQMNASEENETINVNYNIMCLSREEGIKWIKKKRLPAFLESDCYFEYRLAKLVSQVRWSKSGMNFTVESNFSPWIVKKPPSLPPPATEEDNLVIMKKFYVSLGEASYAQTKDWFALAKQSQQTVSTFSLPCCVPYNKLKSPAISSVSENFIFDDGVHPRTKKDPFKTTKLISEFEEEEGEEEEEVSVSLQDTPSQALLRVYLEKKQDVGESLTMHFSTCEEFVSSYVYFILRGAIQQIVGKPVGETPDYINFNNITKVSFDDCFESIRGKNFLSELVQTTKERSEEIEQTSLSSKSESAGPESRADWCISHRTYDIGNRKEFERFKKFIKGTLGERYWWLWMDIERLKVLKDHGRHQRHVEKMKKCYLVSNGDYYLSAEILSKFKLLDGSQWNEEHLRNIQPEVLKPLLLYWAPRFCVTHSPSTKYASAELKFWHLRQAKPRKDIDPFPQMATLLPLRPKSCIPQIPEIQKEEFSLSQPPKSSNKSPGVKSATQKPWKSALLYPDSSKDHVIEKGSKHVSESSNVIHLTSFTDISECLKPQLDRRYAYTEEPKVKTVSDVGALGGFDMENLLQSLYVENRAGFFFTKFCEHSGNKLWKNSVYFWFDLQAYHQLFYQETLQPFKVCKQAQYLFATYVAPSATLDIGLQQEKKKEIYMKIQPPFEDLFDTAEEYILLLLLEPWTKMVKSDQIAYKKVELVEETRQLDSTYFRKLQALHKETLSKKAGDTTCEIGSGILSLSNVSKRTEYWDNVPAEYKHFKFSDLLNNKLEFEHFRQFLETHSSSMDLMCWTDIEQLRRITYRDRNQREAKSIYIKNKYLNKKYFFGPNSPASLYQQNQVMHLSGGWGKILHEQLDAPVLVEIQKHVQNRLENVWLPLFLASEQFAARQKIKVQMEDIAEELLLQKPEKKIGVWKPVESKWISSSCEIIAFRKALLNPVTSRQFQRFVALKGDLLENGLLFWQEVQKYKDLCHSHCDESVIQKKITTIINCFINSSIPPALQIDIPVEQAQKIIEHRKELGPYVFREAQMTIFGVLFKFWPQFCEFRKNLTDENIMSVLERRQEYNKQKKKLAVLEDEKSGKDGIKQYANTSVPAIKTALLSDSFLGLQPYGRQPTWCYSKYIEALEQERILLKIQEELEKKLFAGLQPLTNFKASASTMSLKKNMSAHSSQK
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.7	Very low	52.7	Low	228 Å²	228	97 Å²	97	100%	1.123	50%	0.496	S	S	*	.				0	127.4	0	-68.7	-56	-180	0	0	108.4
2	P	28.7	Very low	54.5	Low	121 Å²	121	95.2 Å²	95.2	79%	0.786	51%	0.506	S	S	*	.			trans	-66.5	139.3	173.9	28.6	-33.7	0	0	0	110.4	K4	P2-K4 PolarHBondContact O-N 2.95Å
3	V	39	Very low	56.4	Low	93 Å²	93	88.9 Å²	88.9	56%	0.564	47%	0.473	S	S	*	.			trans	-75.2	114.4	176.3	-179.4	0	0	0	0	108.4	R5 T160	V3-R5 PolarHBondContact O-N 2.8Å; V3-T160 HydrophobicContact CG1-CG2 4.23Å
4	K	48.6	Very low	58	Low	145 Å²	145	87.1 Å²	87.1	63%	0.63	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-67.8	123.6	170.9	-70.7	-167.4	173.8	-167.6	0	108.8	P2	P2-K4 PolarHBondContact O-N 2.95Å
5	R	52.2	Low	59.2	Low	181 Å²	181	89 Å²	89	68%	0.683	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-72.1	147.9	167.3	-63.5	179.8	-179.1	175.6	0.8	108.9	V3	V3-R5 PolarHBondContact O-N 2.8Å
6	L	57.4	Low	60.1	Low	6 Å²	6	94 Å²	94	3%	0.031	49%	0.492	C	S	.	.	B	Isolated β-bridge	trans	-83.8	124.1	166.3	-64.8	178.6	0	0	0	108.2	Q149 F159 E162 L504	L6-Q149 VanDerWaalsContact CA-OE1 3.31Å; L6-Q149 HydrophobicContact CD2-CB 3.65Å; L6-F159 HydrophobicContact CD1-CB 4.02Å; L6-F159 HydrophobicContact CD1-CD2 3.51Å; L6-F159 HydrophobicContact CD1-CE2 4.12Å; L6-F159 HydrophobicContact CD1-CG 3.85Å; L6-F159 HydrophobicContact CG-CB 4.09Å; L6-F159 HydrophobicContact CG-CD2 4.33Å; L6-F159 HydrophobicContact CG-CG 4.46Å; L6-E162 WeakPolarHBondContact O-CG 3.41Å; L6-L504 HydrophobicContact CD1-CD2 4.49Å
7	T	60.5	Low	61.3	Low	51 Å²	51	94.2 Å²	94.2	31%	0.313	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-92.5	136.4	175.1	62.5	0	0	0	0	110.2	E9 L146 Q149	T7-E9 VanDerWaalsContact C-N 3.33Å; T7-L146 WeakPolarHBondContact O-CD2 3.35Å; T7-Q149 PolarHBondContact OG1-NE2 3.09Å
8	A	58.4	Low	62.4	Low	23 Å²	23	89.1 Å²	89.1	19%	0.19	46%	0.463	C	S	.	.	S	Bend	trans	-74.5	-25.6	168.9	0	0	0	0	0	112.9	E162 F165 P496	A8-E162 PolarHBondContact N-OE2 3.41Å; A8-F165 HydrophobicContact CB-CE2 3.85Å; A8-F165 HydrophobicContact CB-CZ 3.84Å; A8-P496 HydrophobicContact CB-CB 4.35Å
9	E	62.9	Low	63.4	Low	159 Å²	159	89 Å²	89	74%	0.743	46%	0.46	S	S	*	.	S	Bend	trans	-78.6	124.5	-172.4	-61	-169	158	0	0	112	T7	T7-E9 VanDerWaalsContact C-N 3.33Å
10	P	69.1	Low	64.2	Low	24 Å²	24	90.4 Å²	90.4	16%	0.156	47%	0.468	C	S	.	.	P	Polyproline II helix	trans	-73.3	138.5	176.7	27.5	-31.4	0	0	0	111.1	A12 R142 L146 W435	P10-A12 PolarHBondContact O-N 2.93Å; P10-R142 HydrophobicContact CB-CB 4.18Å; P10-R142 PolarHBondContact O-NH2 2.64Å; P10-L146 HydrophobicContact CB-CD1 3.83Å; P10-W435 HydrophobicContact CB-CZ2 4.06Å; P10-W435 HydrophobicContact CG-CZ2 4.44Å
11	P	73.3	Confident	65	Low	36 Å²	36	87.2 Å²	87.2	23%	0.234	45%	0.454	C	S	.	.	P	Polyproline II helix	trans	-56.9	133.6	-173.8	26.2	-36.6	0	0	0	111	Y138 Y141 R142 K145	P11-Y138 PolarHBondContact O-OH 3.11Å; P11-Y141 HydrophobicContact CG-CE1 4.06Å; P11-R142 HydrophobicContact CG-CB 4.34Å; P11-R142 HydrophobicContact CG-CG 4.33Å; P11-R142 PolarHBondContact O-NE 2.89Å; P11-R142 PolarHBondContact O-NH2 2.81Å; P11-R142 VanDerWaalsContact O-NH2 3.15Å; P11-K145 HydrophobicContact CG-CB 3.96Å; P11-K145 HydrophobicContact CG-CG 4.14Å
12	A	74.2	Confident	67.4	Low	75 Å²	75	76.6 Å²	76.6	62%	0.62	40%	0.402	S	S	*	.			trans	-104.4	147.4	172	0	0	0	0	0	109	P10	P10-A12 PolarHBondContact O-N 2.93Å
13	I	79.3	Confident	69.7	Low	14 Å²	14	74.6 Å²	74.6	7%	0.072	40%	0.395	C	S	.	.			trans	-122	121.8	176.8	-62.4	179.9	0	0	0	107.5	F18 L28 L133 Y138 Y141	I13-F18 HydrophobicContact CG2-CB 4.11Å; I13-F18 HydrophobicContact CG2-CD2 3.96Å; I13-L28 HydrophobicContact CD1-CD1 3.49Å; I13-L28 VanDerWaalsContact CD1-CD1 3.49Å; I13-L28 HydrophobicContact CD1-CD2 3.6Å; I13-L28 HydrophobicContact CD1-CG 4.16Å; I13-L133 HydrophobicContact CB-CD2 4.28Å; I13-Y138 HydrophobicContact CD1-CE2 3.88Å; I13-Y138 HydrophobicContact CG1-CE2 4.14Å; I13-Y138 PolarHBondContact N-OH 3.09Å; I13-Y141 HydrophobicContact CD1-CE1 3.85Å
14	T	78.6	Confident	71.5	Confident	64 Å²	64	75.5 Å²	75.5	39%	0.393	40%	0.401	S	S	.	.			trans	-88	165.6	170	62.7	0	0	0	0	111.3	E16 E17 F18	T14-E16 PolarHBondContact O-N 3.21Å; T14-E17 WeakPolarHBondContact CB-OE2 3.22Å; T14-E17 VanDerWaalsContact CG2-OE2 3.22Å; T14-E17 WeakPolarHBondContact CG2-OE2 3.48Å; T14-E17 PolarHBondContact N-OE2 2.95Å; T14-E17 WeakPolarHBondContact OG1-CB 3.37Å; T14-E17 VanDerWaalsContact OG1-CD 3.28Å; T14-E17 VanDerWaalsContact OG1-CG 3.28Å; T14-E17 WeakPolarHBondContact OG1-CG 3.33Å; T14-E17 PolarHBondContact OG1-N 3.29Å; T14-E17 PolarHBondContact OG1-OE2 3.15Å; T14-F18 WeakPolarHBondContact O-CB 3.46Å; T14-F18 PolarHBondContact O-N 3.32Å
15	E	75.9	Confident	73.1	Confident	115 Å²	115	69.3 Å²	69.3	54%	0.537	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-19.4	174.7	-61.2	-166.4	176.3	0	0	112.9	K125 L129	E15-K125 WeakPolarHBondContact O-CE 3.39Å; E15-K125 PolarHBondContact O-NZ 2.86Å; E15-L129 HydrophobicContact CB-CD2 4.47Å; E15-L129 HydrophobicContact CG-CD2 4.06Å
16	E	73.7	Confident	74.4	Confident	169 Å²	169	67 Å²	67	79%	0.79	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-57.9	178.1	-64.2	177.8	-172.9	0	0	110	T14 F18	T14-E16 PolarHBondContact O-N 3.21Å; E16-F18 PolarHBondContact O-N 3.47Å; E16-F18 VanDerWaalsContact O-N 3.08Å
17	E	80.7	Confident	75.6	Confident	98 Å²	98	67.4 Å²	67.4	46%	0.458	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-9.4	-179.1	-61.3	161.3	130.7	0	0	114.2	T14 E19 D20 S21	T14-E17 WeakPolarHBondContact CB-OE2 3.22Å; T14-E17 VanDerWaalsContact CG2-OE2 3.22Å; T14-E17 WeakPolarHBondContact CG2-OE2 3.48Å; T14-E17 PolarHBondContact N-OE2 2.95Å; T14-E17 WeakPolarHBondContact OG1-CB 3.37Å; T14-E17 VanDerWaalsContact OG1-CD 3.28Å; T14-E17 VanDerWaalsContact OG1-CG 3.28Å; T14-E17 WeakPolarHBondContact OG1-CG 3.33Å; T14-E17 PolarHBondContact OG1-N 3.29Å; T14-E17 PolarHBondContact OG1-OE2 3.15Å; E17-E19 VanDerWaalsContact C-N 3.31Å; E17-E19 PolarHBondContact O-N 3.03Å; E17-D20 PolarHBondContact O-N 3.04Å; E17-S21 VanDerWaalsContact O-CB 3.29Å; E17-S21 WeakPolarHBondContact O-CB 3.3Å; E17-S21 PolarHBondContact O-N 3Å; E17-S21 PolarHBondContact O-OG 2.8Å
18	F	81.6	Confident	76.8	Confident	2 Å²	2	65 Å²	65	1%	0.009	36%	0.363	C	S	.	.	H	α-helix	trans	-59.5	-36.5	-175.8	178.5	-119	0	0	0	113.7	I13 T14 E16 L22 F32 I124 K125 L129	I13-F18 HydrophobicContact CG2-CB 4.11Å; I13-F18 HydrophobicContact CG2-CD2 3.96Å; T14-F18 WeakPolarHBondContact O-CB 3.46Å; T14-F18 PolarHBondContact O-N 3.32Å; E16-F18 PolarHBondContact O-N 3.47Å; E16-F18 VanDerWaalsContact O-N 3.08Å; F18-L22 HydrophobicContact CD1-CD1 4.25Å; F18-L22 HydrophobicContact CD2-CG 4.38Å; F18-L22 HydrophobicContact CE1-CD1 3.68Å; F18-L22 HydrophobicContact CE1-CG 4.46Å; F18-L22 HydrophobicContact CE2-CD1 4.05Å; F18-L22 HydrophobicContact CE2-CD2 4.22Å; F18-L22 HydrophobicContact CE2-CG 3.98Å; F18-L22 HydrophobicContact CZ-CD1 3.58Å; F18-L22 HydrophobicContact CZ-CD2 4.33Å; F18-L22 HydrophobicContact CZ-CG 4.04Å; F18-L22 WeakPolarHBondContact O-CG 3.43Å; F18-L22 PolarHBondContact O-N 3.21Å; F18-F32 HydrophobicContact CE2-CE1 4.49Å; F18-F32 HydrophobicContact CZ-CD1 4.28Å; F18-F32 AromaticContact CZ-CE1 3.7Å; F18-F32 HydrophobicContact CZ-CE1 3.7Å; F18-F32 HydrophobicContact CZ-CE2 4.32Å; F18-F32 AromaticContact CZ-CZ 3.74Å; F18-F32 HydrophobicContact CZ-CZ 3.74Å; F18-I124 HydrophobicContact CE1-CG2 3.92Å; F18-I124 HydrophobicContact CZ-CG2 4.22Å; F18-K125 HydrophobicContact CD1-CG 4.02Å; F18-K125 HydrophobicContact CE1-CG 4.48Å; F18-L129 HydrophobicContact CB-CD2 4.23Å; F18-L129 HydrophobicContact CD1-CD2 4.02Å; F18-L129 HydrophobicContact CD2-CD1 3.78Å; F18-L129 HydrophobicContact CD2-CD2 4.35Å; F18-L129 HydrophobicContact CE1-CD2 4.46Å; F18-L129 HydrophobicContact CE2-CD1 3.74Å; F18-L129 HydrophobicContact CG-CD1 4.22Å; F18-L129 HydrophobicContact CG-CD2 3.94Å; F18-L129 HydrophobicContact CZ-CD1 4.14Å
19	E	80.6	Confident	78	Confident	87 Å²	87	64.6 Å²	64.6	41%	0.407	36%	0.358	S	S	.	.	H	α-helix	trans	-71.5	-46.2	-179.5	-71.1	176.5	-127.4	0	0	111.4	E17 S21 L22 A23 I121 K125	E17-E19 VanDerWaalsContact C-N 3.31Å; E17-E19 PolarHBondContact O-N 3.03Å; E19-S21 VanDerWaalsContact C-N 3.29Å; E19-S21 PolarHBondContact O-N 2.62Å; E19-L22 PolarHBondContact O-N 2.83Å; E19-A23 PolarHBondContact O-N 2.77Å; E19-A23 VanDerWaalsContact O-N 3.14Å; E19-I121 HydrophobicContact CG-CG2 3.9Å; E19-I121 WeakPolarHBondContact OE1-CG2 3.39Å; E19-K125 VanDerWaalsContact OE1-CE 3.26Å; E19-K125 WeakPolarHBondContact OE1-CE 3.27Å; E19-K125 IonicContact OE1-NZ 3.31Å; E19-K125 PolarHBondContact OE1-NZ 2.81Å
20	D	79.8	Confident	79.1	Confident	117 Å²	117	59.4 Å²	59.4	63%	0.626	34%	0.335	S	S	*	.	H	α-helix	trans	-62.8	-37.3	173.8	-65.7	-35.3	0	0	0	111.6	E17 A23 T24	E17-D20 PolarHBondContact O-N 3.04Å; D20-A23 PolarHBondContact O-N 2.79Å; D20-T24 WeakPolarHBondContact O-CB 3.15Å; D20-T24 WeakPolarHBondContact O-CG2 3.41Å; D20-T24 PolarHBondContact O-N 3.02Å; D20-T24 PolarHBondContact O-OG1 3.23Å
21	S	80.3	Confident	79.8	Confident	23 Å²	23	58.3 Å²	58.3	16%	0.161	33%	0.328	C	S	.	.	H	α-helix	trans	-64.5	-40.3	176.6	-58.4	0	0	0	0	112.1	E17 E19 A23 T24 D25 L28	E17-S21 VanDerWaalsContact O-CB 3.29Å; E17-S21 WeakPolarHBondContact O-CB 3.3Å; E17-S21 PolarHBondContact O-N 3Å; E17-S21 PolarHBondContact O-OG 2.8Å; E19-S21 VanDerWaalsContact C-N 3.29Å; E19-S21 PolarHBondContact O-N 2.62Å; S21-A23 VanDerWaalsContact C-N 3.29Å; S21-A23 PolarHBondContact O-N 3.36Å; S21-T24 PolarHBondContact O-N 3.22Å; S21-D25 WeakPolarHBondContact O-CB 3.26Å; S21-D25 PolarHBondContact O-N 3.02Å; S21-L28 VanDerWaalsContact CB-CD2 3.47Å
22	L	81.1	Confident	80.5	Confident	6 Å²	6	56.6 Å²	56.6	3%	0.031	32%	0.317	C	S	.	.	H	α-helix	trans	-66.6	-29.5	173.8	-76.8	177.7	0	0	0	112.8	F18 E19 L28 V29 F32 F47 F54	F18-L22 HydrophobicContact CD1-CD1 4.25Å; F18-L22 HydrophobicContact CD2-CG 4.38Å; F18-L22 HydrophobicContact CE1-CD1 3.68Å; F18-L22 HydrophobicContact CE1-CG 4.46Å; F18-L22 HydrophobicContact CE2-CD1 4.05Å; F18-L22 HydrophobicContact CE2-CD2 4.22Å; F18-L22 HydrophobicContact CE2-CG 3.98Å; F18-L22 HydrophobicContact CZ-CD1 3.58Å; F18-L22 HydrophobicContact CZ-CD2 4.33Å; F18-L22 HydrophobicContact CZ-CG 4.04Å; F18-L22 WeakPolarHBondContact O-CG 3.43Å; F18-L22 PolarHBondContact O-N 3.21Å; E19-L22 PolarHBondContact O-N 2.83Å; L22-L28 HydrophobicContact CD2-CD2 4.28Å; L22-L28 HydrophobicContact CD2-CG 4.32Å; L22-V29 HydrophobicContact CD2-CG2 4.1Å; L22-V29 VanDerWaalsContact O-CG2 3.23Å; L22-V29 WeakPolarHBondContact O-CG2 3.34Å; L22-F32 HydrophobicContact CD2-CD1 3.92Å; L22-F47 HydrophobicContact CB-CD1 4.37Å; L22-F47 HydrophobicContact CB-CE1 3.82Å; L22-F47 HydrophobicContact CB-CZ 4.04Å; L22-F47 HydrophobicContact CD1-CE2 4.44Å; L22-F47 HydrophobicContact CD1-CZ 4.47Å; L22-F47 HydrophobicContact CD2-CD1 4.17Å; L22-F47 HydrophobicContact CD2-CE1 4.46Å; L22-F54 HydrophobicContact CD1-CZ 3.95Å
23	A	76.8	Confident	81.1	Confident	78 Å²	78	53.4 Å²	53.4	65%	0.645	29%	0.29	S	S	*	.	H	α-helix	trans	-83.3	-14.9	177.2	0	0	0	0	0	114.2	E19 D20 S21	E19-A23 PolarHBondContact O-N 2.77Å; E19-A23 VanDerWaalsContact O-N 3.14Å; D20-A23 PolarHBondContact O-N 2.79Å; S21-A23 VanDerWaalsContact C-N 3.29Å; S21-A23 PolarHBondContact O-N 3.36Å
24	T	76.4	Confident	81.3	Confident	113 Å²	113	52.9 Å²	52.9	69%	0.693	29%	0.287	S	S	*	.	H	α-helix	trans	-124.6	-11.9	-170.5	58.4	0	0	0	0	115.7	D20 S21	D20-T24 WeakPolarHBondContact O-CB 3.15Å; D20-T24 WeakPolarHBondContact O-CG2 3.41Å; D20-T24 PolarHBondContact O-N 3.02Å; D20-T24 PolarHBondContact O-OG1 3.23Å; S21-T24 PolarHBondContact O-N 3.22Å
25	D	82.1	Confident	81.7	Confident	14 Å²	14	49.8 Å²	49.8	8%	0.075	27%	0.268	C	S	.	.			trans	-125.2	95.6	-176.8	-163.9	0.8	0	0	0	113.9	S21 F27 L28 V29 Y141 K145	S21-D25 WeakPolarHBondContact O-CB 3.26Å; S21-D25 PolarHBondContact O-N 3.02Å; D25-F27 PolarHBondContact O-N 3.41Å; D25-F27 VanDerWaalsContact O-N 3.12Å; D25-F27 PolarHBondContact OD1-N 3.16Å; D25-L28 HydrophobicContact CB-CB 3.95Å; D25-L28 WeakPolarHBondContact O-CB 3.38Å; D25-L28 PolarHBondContact O-N 2.92Å; D25-V29 PolarHBondContact O-N 2.85Å; D25-V29 VanDerWaalsContact O-N 3.15Å; D25-Y141 WeakPolarHBondContact OD2-CE2 3.49Å; D25-Y141 PolarHBondContact OD2-OH 2.89Å; D25-Y141 VanDerWaalsContact OD2-OH 3.12Å; D25-K145 IonicContact OD1-NZ 3.36Å; D25-K145 PolarHBondContact OD1-NZ 3.48Å; D25-K145 WeakPolarHBondContact OD2-CD 3.49Å; D25-K145 WeakPolarHBondContact OD2-CE 3.49Å; D25-K145 IonicContact OD2-NZ 2.78Å; D25-K145 PolarHBondContact OD2-NZ 2.84Å
26	D	80.8	Confident	82.1	Confident	134 Å²	134	44.4 Å²	44.4	72%	0.717	24%	0.243	S	C	*	.	H	α-helix	trans	-48.8	-40.6	174.9	-56.6	-39.6	0	0	0	112.4	L28 V29 D30	D26-L28 PolarHBondContact O-N 3.19Å; D26-V29 PolarHBondContact O-N 2.91Å; D26-D30 WeakPolarHBondContact O-CB 3.26Å; D26-D30 PolarHBondContact O-N 2.72Å
27	F	81.7	Confident	82.6	Confident	14 Å²	14	38.4 Å²	38.4	6%	0.061	22%	0.219	C	C	.	.	H	α-helix	trans	-64.4	-40.4	179.5	-83.7	-76.9	0	0	0	112	D25 D30 Y31 Y141 A144 G411	D25-F27 PolarHBondContact O-N 3.41Å; D25-F27 VanDerWaalsContact O-N 3.12Å; D25-F27 PolarHBondContact OD1-N 3.16Å; F27-D30 PolarHBondContact O-N 3.28Å; F27-Y31 HydrophobicContact CD1-CE2 4.42Å; F27-Y31 VanDerWaalsContact O-CD2 3.3Å; F27-Y31 WeakPolarHBondContact O-CD2 3.11Å; F27-Y31 PolarHBondContact O-N 2.99Å; F27-Y31 VanDerWaalsContact O-N 3.1Å; F27-Y141 HydrophobicContact CB-CD2 4.06Å; F27-Y141 HydrophobicContact CB-CE2 4.2Å; F27-A144 HydrophobicContact CD1-CB 4.23Å; F27-A144 HydrophobicContact CE1-CB 4.23Å; F27-G411 WeakPolarHBondContact CE2-O 3.5Å; F27-G411 VanDerWaalsContact CZ-C 3.42Å; F27-G411 WeakPolarHBondContact CZ-O 3.34Å
28	L	85.3	Confident	82.7	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-62.9	-47.9	177.5	176.6	61.2	0	0	0	109.8	I13 S21 L22 D25 D26 D30 Y31 F32 F132 Y141	I13-L28 HydrophobicContact CD1-CD1 3.49Å; I13-L28 VanDerWaalsContact CD1-CD1 3.49Å; I13-L28 HydrophobicContact CD1-CD2 3.6Å; I13-L28 HydrophobicContact CD1-CG 4.16Å; S21-L28 VanDerWaalsContact CB-CD2 3.47Å; L22-L28 HydrophobicContact CD2-CD2 4.28Å; L22-L28 HydrophobicContact CD2-CG 4.32Å; D25-L28 HydrophobicContact CB-CB 3.95Å; D25-L28 WeakPolarHBondContact O-CB 3.38Å; D25-L28 PolarHBondContact O-N 2.92Å; D26-L28 PolarHBondContact O-N 3.19Å; L28-D30 VanDerWaalsContact C-N 3.32Å; L28-D30 PolarHBondContact O-N 2.9Å; L28-Y31 PolarHBondContact O-N 2.69Å; L28-F32 WeakPolarHBondContact O-CB 3.41Å; L28-F32 PolarHBondContact O-N 2.79Å; L28-F132 HydrophobicContact CD1-CE1 3.67Å; L28-F132 HydrophobicContact CD1-CZ 3.9Å; L28-Y141 HydrophobicContact CB-CD2 4.22Å; L28-Y141 HydrophobicContact CB-CE2 3.77Å; L28-Y141 HydrophobicContact CD1-CD1 4.39Å; L28-Y141 HydrophobicContact CD1-CE1 4.26Å; L28-Y141 HydrophobicContact CD1-CE2 4.4Å
29	V	84.4	Confident	82.5	Confident	15 Å²	15	36.4 Å²	36.4	9%	0.091	21%	0.214	C	C	.	.	H	α-helix	trans	-59.6	-42.7	177.7	176.1	0	0	0	0	111.3	L22 D25 D26 Y31 N33 F47	L22-V29 HydrophobicContact CD2-CG2 4.1Å; L22-V29 VanDerWaalsContact O-CG2 3.23Å; L22-V29 WeakPolarHBondContact O-CG2 3.34Å; D25-V29 PolarHBondContact O-N 2.85Å; D25-V29 VanDerWaalsContact O-N 3.15Å; D26-V29 PolarHBondContact O-N 2.91Å; V29-Y31 PolarHBondContact O-N 2.87Å; V29-N33 WeakPolarHBondContact CG1-ND2 3.1Å; V29-N33 WeakPolarHBondContact O-CB 3.26Å; V29-N33 PolarHBondContact O-N 2.97Å; V29-N33 PolarHBondContact O-ND2 3.25Å; V29-F47 HydrophobicContact CG1-CD1 4.01Å; V29-F47 HydrophobicContact CG2-CD1 3.92Å; V29-F47 HydrophobicContact CG2-CE1 4.2Å
30	D	84.8	Confident	82.4	Confident	50 Å²	50	32.3 Å²	32.3	27%	0.267	20%	0.195	S	C	.	.	H	α-helix	trans	-63.4	-40.4	-179.3	-135.1	-10.7	0	0	0	112.2	D26 F27 L28 E34 R413	D26-D30 WeakPolarHBondContact O-CB 3.26Å; D26-D30 PolarHBondContact O-N 2.72Å; F27-D30 PolarHBondContact O-N 3.28Å; L28-D30 VanDerWaalsContact C-N 3.32Å; L28-D30 PolarHBondContact O-N 2.9Å; D30-E34 PolarHBondContact O-N 2.81Å; D30-R413 VanDerWaalsContact O-CZ 3.28Å; D30-R413 PolarHBondContact O-NH1 3.46Å; D30-R413 PolarHBondContact O-NH2 3.18Å; D30-R413 WeakPolarHBondContact OD1-CD 3.48Å; D30-R413 IonicContact OD1-CZ 3.53Å; D30-R413 IonicContact OD1-NH1 3.47Å; D30-R413 PolarHBondContact OD1-NH1 3.29Å; D30-R413 WeakPolarHBondContact OD2-CB 3.39Å; D30-R413 WeakPolarHBondContact OD2-CD 3.41Å
31	Y	84.7	Confident	82.5	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-81.1	-37	178.2	-84.6	-69.4	0	0	0	113.7	F27 L28 V29 N33 E34 F35 E140 Y141 A144 F416	F27-Y31 HydrophobicContact CD1-CE2 4.42Å; F27-Y31 VanDerWaalsContact O-CD2 3.3Å; F27-Y31 WeakPolarHBondContact O-CD2 3.11Å; F27-Y31 PolarHBondContact O-N 2.99Å; F27-Y31 VanDerWaalsContact O-N 3.1Å; L28-Y31 PolarHBondContact O-N 2.69Å; V29-Y31 PolarHBondContact O-N 2.87Å; Y31-N33 VanDerWaalsContact C-N 3.35Å; Y31-E34 WeakPolarHBondContact O-CB 3.41Å; Y31-E34 PolarHBondContact O-N 3.2Å; Y31-F35 PolarHBondContact O-N 3.4Å; Y31-E140 HydrophobicContact CD1-CB 4.39Å; Y31-E140 HydrophobicContact CE1-CB 3.73Å; Y31-E140 VanDerWaalsContact CE1-OE2 3.26Å; Y31-E140 WeakPolarHBondContact CE1-OE2 3.45Å; Y31-E140 PolarHBondContact OH-OE2 2.65Å; Y31-Y141 HydrophobicContact CD2-CD2 4.49Å; Y31-A144 HydrophobicContact CE2-CB 3.92Å; Y31-F416 VanDerWaalsContact OH-CD1 3.27Å; Y31-F416 WeakPolarHBondContact OH-CD1 3.29Å; Y31-F416 WeakPolarHBondContact OH-CE1 3.28Å
32	F	87	Confident	82.2	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-68.8	-35.7	176.2	-169.6	-124.3	0	0	0	111.4	F18 L22 L28 E34 F35 L36 F54 I124 F132	F18-F32 HydrophobicContact CE2-CE1 4.49Å; F18-F32 HydrophobicContact CZ-CD1 4.28Å; F18-F32 AromaticContact CZ-CE1 3.7Å; F18-F32 HydrophobicContact CZ-CE1 3.7Å; F18-F32 HydrophobicContact CZ-CE2 4.32Å; F18-F32 AromaticContact CZ-CZ 3.74Å; F18-F32 HydrophobicContact CZ-CZ 3.74Å; L22-F32 HydrophobicContact CD2-CD1 3.92Å; L28-F32 WeakPolarHBondContact O-CB 3.41Å; L28-F32 PolarHBondContact O-N 2.79Å; F32-E34 VanDerWaalsContact C-N 3.33Å; F32-E34 PolarHBondContact O-N 2.89Å; F32-F35 HydrophobicContact CD2-CD1 4.19Å; F32-F35 AromaticContact CE2-CD1 4Å; F32-F35 HydrophobicContact CE2-CD1 4Å; F32-F35 HydrophobicContact CE2-CE1 4.41Å; F32-F35 WeakPolarHBondContact O-CB 3.48Å; F32-F35 PolarHBondContact O-N 3.32Å; F32-L36 HydrophobicContact CD1-CD1 3.93Å; F32-L36 HydrophobicContact CD1-CG 4.4Å; F32-L36 HydrophobicContact CE1-CD1 3.56Å; F32-L36 HydrophobicContact CE1-CG 4.11Å; F32-L36 HydrophobicContact CE2-CD2 4.34Å; F32-L36 HydrophobicContact CE2-CG 4.29Å; F32-L36 HydrophobicContact CZ-CD1 3.92Å; F32-L36 HydrophobicContact CZ-CD2 4.03Å; F32-L36 HydrophobicContact CZ-CG 4.03Å; F32-L36 WeakPolarHBondContact O-CG 3.3Å; F32-L36 PolarHBondContact O-N 3.38Å; F32-F54 AromaticContact CE1-CE1 3.88Å; F32-F54 HydrophobicContact CE1-CE1 3.88Å; F32-F54 HydrophobicContact CE1-CZ 4.23Å; F32-I124 HydrophobicContact CE1-CG2 4.13Å; F32-I124 HydrophobicContact CZ-CG2 3.68Å; F32-F132 HydrophobicContact CB-CE2 4.36Å; F32-F132 HydrophobicContact CB-CZ 4.2Å; F32-F132 HydrophobicContact CD2-CB 4.16Å; F32-F132 AromaticContact CD2-CD1 3.75Å; F32-F132 HydrophobicContact CD2-CD1 3.75Å; F32-F132 AromaticContact CD2-CD2 3.75Å; F32-F132 HydrophobicContact CD2-CD2 3.75Å; F32-F132 HydrophobicContact CD2-CE1 4.02Å; F32-F132 AromaticContact CD2-CE2 4Å; F32-F132 HydrophobicContact CD2-CE2 4Å; F32-F132 AromaticContact CD2-CG 3.6Å; F32-F132 HydrophobicContact CD2-CG 3.6Å; F32-F132 HydrophobicContact CD2-CZ 4.13Å; F32-F132 HydrophobicContact CE2-CB 3.94Å; F32-F132 HydrophobicContact CE2-CD1 4.14Å; F32-F132 HydrophobicContact CE2-CD2 4.37Å; F32-F132 AromaticContact CE2-CG 3.89Å; F32-F132 HydrophobicContact CE2-CG 3.89Å
33	N	87.1	Confident	82.1	Confident	9 Å²	9	29.8 Å²	29.8	5%	0.048	18%	0.18	C	C	.	.	H	α-helix	trans	-68.2	-27.3	170.7	-77	-25.4	0	0	0	113.5	V29 Y31 S37 R46 F47	V29-N33 WeakPolarHBondContact CG1-ND2 3.1Å; V29-N33 WeakPolarHBondContact O-CB 3.26Å; V29-N33 PolarHBondContact O-N 2.97Å; V29-N33 PolarHBondContact O-ND2 3.25Å; Y31-N33 VanDerWaalsContact C-N 3.35Å; N33-S37 VanDerWaalsContact O-CB 3.29Å; N33-S37 WeakPolarHBondContact O-CB 3.41Å; N33-S37 PolarHBondContact O-N 2.77Å; N33-S37 PolarHBondContact O-OG 3.28Å; N33-S37 VanDerWaalsContact O-OG 3.1Å; N33-R46 HydrophobicContact CB-CG 4.33Å; N33-R46 WeakPolarHBondContact OD1-CG 3.34Å; N33-F47 PolarHBondContact ND2-O 3.23Å; N33-F47 PolarHBondContact OD1-N 2.87Å; N33-F47 PolarHBondContact OD1-O 3.2Å
34	E	84.2	Confident	82.3	Confident	2 Å²	2	28 Å²	28	1%	0.009	17%	0.166	C	C	.	.	H	α-helix	trans	-67.3	-46.9	167.5	170.2	159	-149.6	0	0	110.9	D30 Y31 F32 S37 L38 R413 R638 R674	D30-E34 PolarHBondContact O-N 2.81Å; Y31-E34 WeakPolarHBondContact O-CB 3.41Å; Y31-E34 PolarHBondContact O-N 3.2Å; F32-E34 VanDerWaalsContact C-N 3.33Å; F32-E34 PolarHBondContact O-N 2.89Å; E34-S37 PolarHBondContact O-N 2.88Å; E34-S37 PolarHBondContact O-OG 3.49Å; E34-L38 WeakPolarHBondContact O-CG 3.41Å; E34-R413 IonicContact OE2-CZ 3.58Å; E34-R413 IonicContact OE2-NH2 2.75Å; E34-R413 PolarHBondContact OE2-NH2 2.68Å; E34-R638 IonicContact OE1-CZ 2.66Å; E34-R638 IonicContact OE1-NH1 3.62Å; E34-R638 PolarHBondContact OE1-NH1 3.22Å; E34-R638 IonicContact OE1-NH2 2.66Å; E34-R638 PolarHBondContact OE1-NH2 2.93Å; E34-R638 IonicContact OE2-CZ 3.77Å; E34-R638 IonicContact OE2-NH1 2.64Å; E34-R638 PolarHBondContact OE2-NH1 3.15Å; E34-R674 IonicContact OE1-CZ 2.89Å; E34-R674 IonicContact OE1-NH1 3.94Å; E34-R674 PolarHBondContact OE1-NH1 2.99Å
35	F	86.9	Confident	82.7	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-59.2	-46.6	177.6	174.3	-92.2	0	0	0	113.2	Y31 F32 S37 L38 F41 R128 A131 F132 C137 R674	Y31-F35 PolarHBondContact O-N 3.4Å; F32-F35 HydrophobicContact CD2-CD1 4.19Å; F32-F35 AromaticContact CE2-CD1 4Å; F32-F35 HydrophobicContact CE2-CD1 4Å; F32-F35 HydrophobicContact CE2-CE1 4.41Å; F32-F35 WeakPolarHBondContact O-CB 3.48Å; F32-F35 PolarHBondContact O-N 3.32Å; F35-S37 PolarHBondContact O-N 3.36Å; F35-L38 HydrophobicContact CD2-CD1 4.36Å; F35-L38 WeakPolarHBondContact O-CB 3.39Å; F35-L38 VanDerWaalsContact O-CG 3.24Å; F35-L38 WeakPolarHBondContact O-CG 3.43Å; F35-L38 PolarHBondContact O-N 2.99Å; F35-F41 HydrophobicContact CD1-CE2 4.2Å; F35-F41 AromaticContact CE1-CE2 3.8Å; F35-F41 HydrophobicContact CE1-CE2 3.8Å; F35-F41 AromaticContact CE1-CZ 3.84Å; F35-F41 HydrophobicContact CE1-CZ 3.84Å; F35-F41 HydrophobicContact CE2-CE2 4.25Å; F35-F41 HydrophobicContact CE2-CZ 4.07Å; F35-F41 AromaticContact CZ-CE2 3.83Å; F35-F41 HydrophobicContact CZ-CE2 3.83Å; F35-F41 AromaticContact CZ-CZ 3.5Å; F35-F41 HydrophobicContact CZ-CZ 3.5Å; F35-F41 VanDerWaalsContact O-CE2 3.3Å; F35-F41 WeakPolarHBondContact O-CE2 3.48Å; F35-R128 HydrophobicContact CE1-CB 4.22Å; F35-A131 HydrophobicContact CE2-CB 4.41Å; F35-A131 HydrophobicContact CZ-CB 3.79Å; F35-F132 HydrophobicContact CB-CD2 3.72Å; F35-F132 HydrophobicContact CB-CE2 4.14Å; F35-F132 HydrophobicContact CD1-CB 3.96Å; F35-F132 HydrophobicContact CD1-CD2 4.06Å; F35-F132 HydrophobicContact CD1-CG 4.38Å; F35-F132 HydrophobicContact CD2-CB 4.28Å; F35-F132 AromaticContact CD2-CD2 3.92Å; F35-F132 HydrophobicContact CD2-CD2 3.92Å; F35-F132 HydrophobicContact CE1-CB 3.8Å; F35-F132 HydrophobicContact CE2-CB 4.13Å; F35-F132 HydrophobicContact CG-CB 4.2Å; F35-F132 AromaticContact CG-CD2 3.63Å; F35-F132 HydrophobicContact CG-CD2 3.63Å; F35-F132 HydrophobicContact CG-CG 4.35Å; F35-F132 HydrophobicContact CZ-CB 3.89Å; F35-F132 VanDerWaalsContact CZ-N 3.35Å; F35-C137 HydrophobicContact CB-CB 4.29Å; F35-R674 WeakPolarHBondContact CD2-O 3.45Å
36	L	85.3	Confident	82.8	Confident	2 Å²	2	27.2 Å²	27.2	1%	0.01	15%	0.149	C	C	.	.	H	α-helix	trans	-70.6	-15.4	178.2	-66	179.2	0	0	0	113.9	F32 I45 F54 I124 R128	F32-L36 HydrophobicContact CD1-CD1 3.93Å; F32-L36 HydrophobicContact CD1-CG 4.4Å; F32-L36 HydrophobicContact CE1-CD1 3.56Å; F32-L36 HydrophobicContact CE1-CG 4.11Å; F32-L36 HydrophobicContact CE2-CD2 4.34Å; F32-L36 HydrophobicContact CE2-CG 4.29Å; F32-L36 HydrophobicContact CZ-CD1 3.92Å; F32-L36 HydrophobicContact CZ-CD2 4.03Å; F32-L36 HydrophobicContact CZ-CG 4.03Å; F32-L36 WeakPolarHBondContact O-CG 3.3Å; F32-L36 PolarHBondContact O-N 3.38Å; L36-I45 CarbonylContact C-O 3.54Å; L36-I45 HydrophobicContact CB-CB 4.42Å; L36-I45 WeakPolarHBondContact CB-O 3.49Å; L36-I45 HydrophobicContact CD1-CG2 4.28Å; L36-I45 PolarHBondContact O-N 3.16Å; L36-F54 HydrophobicContact CD1-CD1 4.1Å; L36-F54 HydrophobicContact CD1-CE1 3.91Å; L36-I124 HydrophobicContact CD1-CD1 4.37Å; L36-R128 HydrophobicContact CD2-CB 4Å; L36-R128 HydrophobicContact CD2-CG 3.85Å
37	S	83.6	Confident	83	Confident	42 Å²	42	21.4 Å²	21.4	29%	0.294	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	6.9	175.7	72.5	0	0	0	0	114.7	N33 E34 F35	N33-S37 VanDerWaalsContact O-CB 3.29Å; N33-S37 WeakPolarHBondContact O-CB 3.41Å; N33-S37 PolarHBondContact O-N 2.77Å; N33-S37 PolarHBondContact O-OG 3.28Å; N33-S37 VanDerWaalsContact O-OG 3.1Å; E34-S37 PolarHBondContact O-N 2.88Å; E34-S37 PolarHBondContact O-OG 3.49Å; F35-S37 PolarHBondContact O-N 3.36Å
38	L	82.8	Confident	83	Confident	12 Å²	12	21.8 Å²	21.8	6%	0.063	12%	0.12	C	C	.	.	S	Bend	trans	-77.9	142.3	-175.9	-63.9	-176.3	0	0	0	112.9	E34 F35 T40 F41 V671 R674 A675	E34-L38 WeakPolarHBondContact O-CG 3.41Å; F35-L38 HydrophobicContact CD2-CD1 4.36Å; F35-L38 WeakPolarHBondContact O-CB 3.39Å; F35-L38 VanDerWaalsContact O-CG 3.24Å; F35-L38 WeakPolarHBondContact O-CG 3.43Å; F35-L38 PolarHBondContact O-N 2.99Å; L38-T40 PolarHBondContact O-N 2.86Å; L38-F41 HydrophobicContact CB-CD2 4.45Å; L38-F41 PolarHBondContact O-N 3.45Å; L38-V671 HydrophobicContact CD1-CG1 4.13Å; L38-V671 HydrophobicContact CD2-CG1 3.54Å; L38-V671 HydrophobicContact CG-CG1 4.35Å; L38-R674 HydrophobicContact CD1-CB 4.09Å; L38-R674 WeakPolarHBondContact CD1-O 3.33Å; L38-A675 HydrophobicContact CD1-CB 3.93Å
39	P	77.3	Confident	82.8	Confident	46 Å²	46	24.3 Å²	24.3	30%	0.299	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	1.6	178.5	30.5	-36.9	0	0	0	113.8	F41 Q667 W775	P39-F41 VanDerWaalsContact C-N 3.27Å; P39-Q667 HydrophobicContact CB-CB 4.35Å; P39-Q667 HydrophobicContact CG-CB 4.05Å; P39-W775 WeakPolarHBondContact O-CH2 3.17Å
40	T	77.8	Confident	82.4	Confident	1 Å²	1	30.4 Å²	30.4	1%	0.006	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-15.9	172	-42.3	0	0	0	0	112.9	L38 A675 F678 W775 M778	L38-T40 PolarHBondContact O-N 2.86Å; T40-A675 HydrophobicContact CG2-CB 3.78Å; T40-A675 WeakPolarHBondContact OG1-CB 3.33Å; T40-F678 HydrophobicContact CG2-CB 4.13Å; T40-F678 HydrophobicContact CG2-CD1 4.15Å; T40-W775 HydrophobicContact CG2-CZ3 4.5Å; T40-M778 HydrophobicContact CG2-CE 4.47Å
41	F	82.8	Confident	81.8	Confident	14 Å²	14	34 Å²	34	6%	0.061	18%	0.183	C	C	.	.	S	Bend	trans	-107.7	149.3	-176.9	-61.2	-49.4	0	0	0	112.4	F35 L38 P39 E43 F678	F35-F41 HydrophobicContact CD1-CE2 4.2Å; F35-F41 AromaticContact CE1-CE2 3.8Å; F35-F41 HydrophobicContact CE1-CE2 3.8Å; F35-F41 AromaticContact CE1-CZ 3.84Å; F35-F41 HydrophobicContact CE1-CZ 3.84Å; F35-F41 HydrophobicContact CE2-CE2 4.25Å; F35-F41 HydrophobicContact CE2-CZ 4.07Å; F35-F41 AromaticContact CZ-CE2 3.83Å; F35-F41 HydrophobicContact CZ-CE2 3.83Å; F35-F41 AromaticContact CZ-CZ 3.5Å; F35-F41 HydrophobicContact CZ-CZ 3.5Å; F35-F41 VanDerWaalsContact O-CE2 3.3Å; F35-F41 WeakPolarHBondContact O-CE2 3.48Å; L38-F41 HydrophobicContact CB-CD2 4.45Å; L38-F41 PolarHBondContact O-N 3.45Å; P39-F41 VanDerWaalsContact C-N 3.27Å; F41-E43 VanDerWaalsContact C-N 3.33Å; F41-E43 PolarHBondContact O-N 3.3Å; F41-F678 HydrophobicContact CD1-CD1 4.42Å; F41-F678 HydrophobicContact CD1-CE1 4.21Å; F41-F678 HydrophobicContact CD1-CZ 4.48Å; F41-F678 AromaticContact CE1-CD1 3.96Å; F41-F678 HydrophobicContact CE1-CD1 3.96Å; F41-F678 HydrophobicContact CE1-CD2 4.13Å; F41-F678 HydrophobicContact CE1-CE1 4.01Å; F41-F678 HydrophobicContact CE1-CE2 4.18Å; F41-F678 HydrophobicContact CE1-CG 4.03Å; F41-F678 HydrophobicContact CE1-CZ 4.12Å
42	S	73.4	Confident	81.4	Confident	30 Å²	30	34.8 Å²	34.8	21%	0.21	19%	0.191	C	C	.	.	S	Bend	trans	-71.2	-25.6	-172.6	63.8	0	0	0	0	114.5	D782 Q783	S42-D782 PolarHBondContact N-OD2 2.75Å; S42-D782 PolarHBondContact OG-OD2 3.31Å; S42-Q783 WeakPolarHBondContact OG-CA 3.45Å; S42-Q783 PolarHBondContact OG-N 3.04Å
43	E	79.2	Confident	81.1	Confident	50 Å²	50	35.4 Å²	35.4	23%	0.234	20%	0.195	C	C	.	.	S	Bend	trans	-140.1	135.7	174.3	-65.7	-173.4	-142.6	0	0	108.7	F41 Y786	F41-E43 VanDerWaalsContact C-N 3.33Å; F41-E43 PolarHBondContact O-N 3.3Å; E43-Y786 HydrophobicContact CB-CE1 4.49Å; E43-Y786 HydrophobicContact CG-CE1 4.24Å; E43-Y786 WeakPolarHBondContact OE1-CD1 3.34Å; E43-Y786 WeakPolarHBondContact OE1-CE1 3.38Å; E43-Y786 WeakPolarHBondContact OE2-CE1 3.29Å; E43-Y786 PolarHBondContact OE2-OH 3.37Å
44	A	81.3	Confident	80.9	Confident	41 Å²	41	35.2 Å²	35.2	34%	0.339	19%	0.194	S	C	.	.			trans	-82.8	127	-179.2	0	0	0	0	0	110.5	V57	A44-V57 HydrophobicContact CB-CB 4.11Å; A44-V57 HydrophobicContact CB-CG2 4.19Å; A44-V57 WeakPolarHBondContact O-CB 3.42Å; A44-V57 WeakPolarHBondContact O-CG2 3.34Å; A44-V57 PolarHBondContact O-N 3.24Å
45	I	84.3	Confident	80.9	Confident	2 Å²	2	36 Å²	36	1%	0.01	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	151	-172.9	-59.6	162.9	0	0	0	109	L36 F54 E55 L115 W123 Y786	L36-I45 CarbonylContact C-O 3.54Å; L36-I45 HydrophobicContact CB-CB 4.42Å; L36-I45 WeakPolarHBondContact CB-O 3.49Å; L36-I45 HydrophobicContact CD1-CG2 4.28Å; L36-I45 PolarHBondContact O-N 3.16Å; I45-F54 HydrophobicContact CG2-CB 3.97Å; I45-F54 HydrophobicContact CG2-CD1 4.03Å; I45-F54 HydrophobicContact CG2-CG 4.45Å; I45-E55 CarbonylContact C-O 3.57Å; I45-E55 WeakPolarHBondContact CA-O 3.29Å; I45-L115 HydrophobicContact CD1-CD1 4.11Å; I45-L115 HydrophobicContact CG2-CD1 4.21Å; I45-W123 HydrophobicContact CD1-CH2 3.93Å; I45-W123 HydrophobicContact CD1-CZ3 3.69Å; I45-Y786 HydrophobicContact CD1-CD2 4.2Å; I45-Y786 HydrophobicContact CD1-CE2 3.91Å; I45-Y786 HydrophobicContact CG1-CE2 4.44Å
46	R	84.6	Confident	80.7	Confident	107 Å²	107	37.4 Å²	37.4	40%	0.404	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	130.3	175.5	-175.5	-177.9	173.6	-152.5	-8	111.1	N33 F54 E55 V57	N33-R46 HydrophobicContact CB-CG 4.33Å; N33-R46 WeakPolarHBondContact OD1-CG 3.34Å; R46-F54 CarbonylContact O-C 3.6Å; R46-F54 WeakPolarHBondContact O-CA 3.38Å; R46-E55 PolarHBondContact N-O 2.88Å; R46-E55 PolarHBondContact O-N 2.73Å; R46-V57 HydrophobicContact CB-CG2 3.87Å
47	F	84.5	Confident	80	Confident	13 Å²	13	39.4 Å²	39.4	6%	0.057	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	134.5	164.7	-170.9	-114.5	0	0	0	111	L22 V29 N33 A49 F54	L22-F47 HydrophobicContact CB-CD1 4.37Å; L22-F47 HydrophobicContact CB-CE1 3.82Å; L22-F47 HydrophobicContact CB-CZ 4.04Å; L22-F47 HydrophobicContact CD1-CE2 4.44Å; L22-F47 HydrophobicContact CD1-CZ 4.47Å; L22-F47 HydrophobicContact CD2-CD1 4.17Å; L22-F47 HydrophobicContact CD2-CE1 4.46Å; V29-F47 HydrophobicContact CG1-CD1 4.01Å; V29-F47 HydrophobicContact CG2-CD1 3.92Å; V29-F47 HydrophobicContact CG2-CE1 4.2Å; N33-F47 PolarHBondContact ND2-O 3.23Å; N33-F47 PolarHBondContact OD1-N 2.87Å; N33-F47 PolarHBondContact OD1-O 3.2Å; F47-A49 HydrophobicContact CE1-CB 4.24Å; F47-F54 HydrophobicContact CB-CD1 3.85Å; F47-F54 HydrophobicContact CB-CE1 3.5Å; F47-F54 VanDerWaalsContact CB-CE1 3.5Å; F47-F54 HydrophobicContact CB-CZ 4.15Å; F47-F54 AromaticContact CD2-CD1 3.91Å; F47-F54 HydrophobicContact CD2-CD1 3.91Å; F47-F54 AromaticContact CD2-CD2 3.97Å; F47-F54 HydrophobicContact CD2-CD2 3.97Å; F47-F54 AromaticContact CD2-CE1 3.55Å; F47-F54 HydrophobicContact CD2-CE1 3.55Å; F47-F54 AromaticContact CD2-CE2 3.59Å; F47-F54 HydrophobicContact CD2-CE2 3.59Å; F47-F54 HydrophobicContact CD2-CG 4.11Å; F47-F54 AromaticContact CD2-CZ 3.37Å; F47-F54 HydrophobicContact CD2-CZ 3.37Å; F47-F54 HydrophobicContact CE2-CD2 4.47Å; F47-F54 AromaticContact CE2-CE2 3.97Å; F47-F54 HydrophobicContact CE2-CE2 3.97Å; F47-F54 HydrophobicContact CE2-CZ 4.07Å; F47-F54 HydrophobicContact CG-CD1 4.37Å; F47-F54 AromaticContact CG-CE1 3.89Å; F47-F54 HydrophobicContact CG-CE1 3.89Å; F47-F54 HydrophobicContact CG-CZ 4.03Å
48	N	82.9	Confident	79.5	Confident	22 Å²	22	40.6 Å²	40.6	12%	0.118	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	112.4	171.8	-169.9	-14.3	0	0	0	110.6	D50 Y51 G52 V53 E55	N48-D50 VanDerWaalsContact C-N 3.29Å; N48-D50 PolarHBondContact O-N 3.14Å; N48-D50 PolarHBondContact OD1-N 3.04Å; N48-Y51 PolarHBondContact O-N 2.68Å; N48-G52 PolarHBondContact O-N 3.27Å; N48-V53 PolarHBondContact N-O 3.42Å; N48-V53 PolarHBondContact O-N 3.47Å; N48-E55 WeakPolarHBondContact CB-OE1 3.44Å; N48-E55 PolarHBondContact ND2-OE1 2.7Å
49	A	79.5	Confident	78.9	Confident	53 Å²	53	43 Å²	43	44%	0.438	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-31.5	-176.9	0	0	0	0	0	112.9	F47 Y51	F47-A49 HydrophobicContact CE1-CB 4.24Å; A49-Y51 PolarHBondContact O-N 3.41Å
50	D	76.9	Confident	78.6	Confident	142 Å²	142	42 Å²	42	76%	0.759	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-29.8	-178.5	-59.5	-30.2	0	0	0	112.5	N48	N48-D50 VanDerWaalsContact C-N 3.29Å; N48-D50 PolarHBondContact O-N 3.14Å; N48-D50 PolarHBondContact OD1-N 3.04Å
51	Y	72.7	Confident	78.4	Confident	126 Å²	126	43.4 Å²	43.4	49%	0.494	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.3	-17.2	-176.9	-62.4	-94.3	0	0	0	112.9	N48 A49 V53	N48-Y51 PolarHBondContact O-N 2.68Å; A49-Y51 PolarHBondContact O-N 3.41Å; Y51-V53 VanDerWaalsContact C-N 3.32Å
52	G	75.6	Confident	77.9	Confident	16 Å²	16	45.3 Å²	45.3	17%	0.165	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.1	27.3	-176.2	0	0	0	0	0	114	N48	N48-G52 PolarHBondContact O-N 3.27Å
53	V	80.9	Confident	78	Confident	14 Å²	14	48.1 Å²	48.1	9%	0.085	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	153.3	-169.9	171.6	0	0	0	0	110.8	N48 Y51 C114	N48-V53 PolarHBondContact N-O 3.42Å; N48-V53 PolarHBondContact O-N 3.47Å; Y51-V53 VanDerWaalsContact C-N 3.32Å; V53-C114 HydrophobicContact CG1-CB 3.62Å
54	F	82.5	Confident	77.8	Confident	4 Å²	4	46.5 Å²	46.5	2%	0.018	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	116.2	173.7	-70	-85.5	0	0	0	110.8	L22 F32 L36 I45 R46 F47 C114 L115 I121 I124	L22-F54 HydrophobicContact CD1-CZ 3.95Å; F32-F54 AromaticContact CE1-CE1 3.88Å; F32-F54 HydrophobicContact CE1-CE1 3.88Å; F32-F54 HydrophobicContact CE1-CZ 4.23Å; L36-F54 HydrophobicContact CD1-CD1 4.1Å; L36-F54 HydrophobicContact CD1-CE1 3.91Å; I45-F54 HydrophobicContact CG2-CB 3.97Å; I45-F54 HydrophobicContact CG2-CD1 4.03Å; I45-F54 HydrophobicContact CG2-CG 4.45Å; R46-F54 CarbonylContact O-C 3.6Å; R46-F54 WeakPolarHBondContact O-CA 3.38Å; F47-F54 HydrophobicContact CB-CD1 3.85Å; F47-F54 HydrophobicContact CB-CE1 3.5Å; F47-F54 VanDerWaalsContact CB-CE1 3.5Å; F47-F54 HydrophobicContact CB-CZ 4.15Å; F47-F54 AromaticContact CD2-CD1 3.91Å; F47-F54 HydrophobicContact CD2-CD1 3.91Å; F47-F54 AromaticContact CD2-CD2 3.97Å; F47-F54 HydrophobicContact CD2-CD2 3.97Å; F47-F54 AromaticContact CD2-CE1 3.55Å; F47-F54 HydrophobicContact CD2-CE1 3.55Å; F47-F54 AromaticContact CD2-CE2 3.59Å; F47-F54 HydrophobicContact CD2-CE2 3.59Å; F47-F54 HydrophobicContact CD2-CG 4.11Å; F47-F54 AromaticContact CD2-CZ 3.37Å; F47-F54 HydrophobicContact CD2-CZ 3.37Å; F47-F54 HydrophobicContact CE2-CD2 4.47Å; F47-F54 AromaticContact CE2-CE2 3.97Å; F47-F54 HydrophobicContact CE2-CE2 3.97Å; F47-F54 HydrophobicContact CE2-CZ 4.07Å; F47-F54 HydrophobicContact CG-CD1 4.37Å; F47-F54 AromaticContact CG-CE1 3.89Å; F47-F54 HydrophobicContact CG-CE1 3.89Å; F47-F54 HydrophobicContact CG-CZ 4.03Å; F54-C114 WeakPolarHBondContact O-CA 3.02Å; F54-L115 HydrophobicContact CB-CB 4.32Å; F54-L115 HydrophobicContact CB-CD1 4.02Å; F54-L115 PolarHBondContact O-N 3.32Å; F54-I121 HydrophobicContact CD2-CG1 4.45Å; F54-I121 HydrophobicContact CE2-CG1 3.9Å; F54-I124 HydrophobicContact CB-CD1 4.48Å; F54-I124 HydrophobicContact CD1-CD1 3.27Å; F54-I124 HydrophobicContact CD2-CD1 3.81Å; F54-I124 HydrophobicContact CE1-CD1 3.19Å; F54-I124 HydrophobicContact CE2-CD1 3.76Å; F54-I124 HydrophobicContact CG-CD1 3.58Å; F54-I124 HydrophobicContact CZ-CD1 3.46Å; F54-I124 VanDerWaalsContact CZ-CD1 3.46Å; F54-I124 HydrophobicContact CZ-CG2 4.48Å
55	E	84.6	Confident	77.7	Confident	19 Å²	19	47.6 Å²	47.6	9%	0.089	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	139.3	177.6	-67.6	165	-147.7	0	0	110.6	I45 R46 N48 I112 R796	I45-E55 CarbonylContact C-O 3.57Å; I45-E55 WeakPolarHBondContact CA-O 3.29Å; R46-E55 PolarHBondContact N-O 2.88Å; R46-E55 PolarHBondContact O-N 2.73Å; N48-E55 WeakPolarHBondContact CB-OE1 3.44Å; N48-E55 PolarHBondContact ND2-OE1 2.7Å; E55-I112 HydrophobicContact CB-CG2 3.94Å; E55-I112 HydrophobicContact CG-CD1 4.45Å; E55-I112 HydrophobicContact CG-CG2 3.96Å; E55-R796 IonicContact OE1-CZ 2.8Å; E55-R796 IonicContact OE1-NH1 3.13Å; E55-R796 PolarHBondContact OE1-NH1 3.02Å; E55-R796 IonicContact OE1-NH2 2.62Å
56	V	81.7	Confident	77.6	Confident	29 Å²	29	52.6 Å²	52.6	18%	0.176	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	131.1	160.5	-173.9	0	0	0	0	107.9	N58 M113 Y786 L791	V56-N58 PolarHBondContact O-N 3.08Å; V56-N58 VanDerWaalsContact O-N 3.09Å; V56-M113 HydrophobicContact CB-CB 4.21Å; V56-M113 WeakPolarHBondContact CB-O 3.27Å; V56-M113 HydrophobicContact CG2-CB 4Å; V56-M113 WeakPolarHBondContact CG2-O 3.23Å; V56-M113 PolarHBondContact N-O 2.9Å; V56-Y786 WeakPolarHBondContact CG2-OH 3.28Å; V56-L791 HydrophobicContact CG2-CD2 4Å
57	V	70.4	Confident	77.3	Confident	44 Å²	44	53 Å²	53	27%	0.267	28%	0.28	S	S	.	.			trans	-70.9	109.4	-171.5	177.2	0	0	0	0	110.5	A44 R46 Y642	A44-V57 HydrophobicContact CB-CB 4.11Å; A44-V57 HydrophobicContact CB-CG2 4.19Å; A44-V57 WeakPolarHBondContact O-CB 3.42Å; A44-V57 WeakPolarHBondContact O-CG2 3.34Å; A44-V57 PolarHBondContact O-N 3.24Å; R46-V57 HydrophobicContact CB-CG2 3.87Å; V57-Y642 HydrophobicContact CG1-CE1 3.5Å; V57-Y642 VanDerWaalsContact CG1-OH 3.22Å; V57-Y642 WeakPolarHBondContact CG1-OH 3.43Å
58	N	73.9	Confident	77.2	Confident	68 Å²	68	52.4 Å²	52.4	36%	0.364	28%	0.277	S	S	.	.			trans	-112.1	141.8	-175.8	-171.5	-6.6	0	0	0	111.5	V56 A60 P61 N111	V56-N58 PolarHBondContact O-N 3.08Å; V56-N58 VanDerWaalsContact O-N 3.09Å; N58-A60 WeakPolarHBondContact OD1-CB 3.48Å; N58-A60 PolarHBondContact OD1-N 3.19Å; N58-P61 WeakPolarHBondContact O-CD 3.49Å; N58-N111 PolarHBondContact ND2-O 3.03Å; N58-N111 VanDerWaalsContact ND2-O 3.08Å
59	D	69.9	Low	77.1	Confident	61 Å²	61	55.9 Å²	55.9	33%	0.326	29%	0.291	S	S	.	.	S	Bend	trans	-77.3	-19.2	175.9	-115.5	-23.1	0	0	0	113.4	Q62 L63 Y642	D59-Q62 WeakPolarHBondContact O-CA 3.42Å; D59-Q62 WeakPolarHBondContact O-CB 3.29Å; D59-Q62 PolarHBondContact O-N 3.29Å; D59-L63 HydrophobicContact CB-CD1 4.25Å; D59-L63 PolarHBondContact O-N 2.8Å; D59-Y642 WeakPolarHBondContact OD1-CD2 3.36Å
60	A	71.3	Confident	77.2	Confident	26 Å²	26	59.7 Å²	59.7	22%	0.215	30%	0.298	C	S	.	.	H	α-helix	trans	-44	-51	-179.7	0	0	0	0	0	115	N58 Q62 L63 L64 Y110	N58-A60 WeakPolarHBondContact OD1-CB 3.48Å; N58-A60 PolarHBondContact OD1-N 3.19Å; A60-Q62 VanDerWaalsContact C-N 3.31Å; A60-Q62 PolarHBondContact O-N 2.61Å; A60-L63 PolarHBondContact O-N 2.78Å; A60-L64 WeakPolarHBondContact O-CB 3.13Å; A60-L64 PolarHBondContact O-N 3.42Å; A60-Y110 HydrophobicContact CB-CD2 4.31Å
61	P	72.8	Confident	77.4	Confident	31 Å²	31	55.2 Å²	55.2	20%	0.201	27%	0.273	C	S	.	.	H	α-helix	trans	-62.4	-32.5	177	23.3	-34.4	0	0	0	113.7	N58 E65 Y110 L798	N58-P61 WeakPolarHBondContact O-CD 3.49Å; P61-E65 WeakPolarHBondContact O-CB 3.42Å; P61-E65 PolarHBondContact O-N 2.93Å; P61-Y110 HydrophobicContact CB-CD2 4.18Å; P61-Y110 HydrophobicContact CB-CE1 4.48Å; P61-Y110 HydrophobicContact CB-CE2 3.71Å; P61-Y110 HydrophobicContact CG-CD2 4.3Å; P61-Y110 HydrophobicContact CG-CE2 3.82Å; P61-L798 HydrophobicContact CB-CD1 3.75Å
62	Q	72.9	Confident	77.6	Confident	53 Å²	53	49.7 Å²	49.7	25%	0.248	25%	0.253	C	S	.	.	H	α-helix	trans	-75	-37.9	175.4	-68.7	-151.2	11.8	0	0	112.4	D59 A60 L64 E65 K66 Y640 Y642	D59-Q62 WeakPolarHBondContact O-CA 3.42Å; D59-Q62 WeakPolarHBondContact O-CB 3.29Å; D59-Q62 PolarHBondContact O-N 3.29Å; A60-Q62 VanDerWaalsContact C-N 3.31Å; A60-Q62 PolarHBondContact O-N 2.61Å; Q62-L64 VanDerWaalsContact C-N 3.34Å; Q62-E65 PolarHBondContact O-N 3.23Å; Q62-K66 WeakPolarHBondContact O-CB 3.35Å; Q62-K66 WeakPolarHBondContact O-CD 3.46Å; Q62-K66 WeakPolarHBondContact O-CG 3.39Å; Q62-K66 PolarHBondContact O-N 2.93Å; Q62-Y640 PolarHBondContact NE2-O 2.82Å; Q62-Y642 HydrophobicContact CG-CE2 4.18Å; Q62-Y642 VanDerWaalsContact NE2-CE2 3.27Å
63	L	75	Confident	77.5	Confident	90 Å²	90	54.5 Å²	54.5	47%	0.471	27%	0.271	S	S	.	.	H	α-helix	trans	-65	-41.2	174.9	-67.4	172	0	0	0	110.6	D59 A60 K66 Q67	D59-L63 HydrophobicContact CB-CD1 4.25Å; D59-L63 PolarHBondContact O-N 2.8Å; A60-L63 PolarHBondContact O-N 2.78Å; L63-K66 HydrophobicContact CD2-CD 4.42Å; L63-K66 WeakPolarHBondContact O-CB 3.46Å; L63-K66 PolarHBondContact O-N 2.74Å; L63-Q67 WeakPolarHBondContact O-CG 3.35Å; L63-Q67 PolarHBondContact O-N 3Å
64	L	76.3	Confident	77.3	Confident	16 Å²	16	60.2 Å²	60.2	8%	0.084	30%	0.301	C	S	.	.	H	α-helix	trans	-67.7	-39.6	175.3	-156.6	157	0	0	0	111.3	A60 Q62 Q67 L68 V108 L798	A60-L64 WeakPolarHBondContact O-CB 3.13Å; A60-L64 PolarHBondContact O-N 3.42Å; Q62-L64 VanDerWaalsContact C-N 3.34Å; L64-Q67 WeakPolarHBondContact O-CB 3.13Å; L64-Q67 PolarHBondContact O-N 3.25Å; L64-L68 HydrophobicContact CD2-CD1 3.66Å; L64-L68 HydrophobicContact CD2-CG 3.93Å; L64-L68 WeakPolarHBondContact O-CG 3.33Å; L64-L68 PolarHBondContact O-N 3.38Å; L64-V108 HydrophobicContact CD2-CG1 4.34Å; L64-L798 HydrophobicContact CB-CD2 4.2Å; L64-L798 HydrophobicContact CD2-CB 4.18Å; L64-L798 HydrophobicContact CD2-CD2 3.64Å; L64-L798 HydrophobicContact CG-CD2 4.48Å
65	E	78.9	Confident	76.5	Confident	63 Å²	63	63.9 Å²	63.9	29%	0.294	32%	0.318	S	S	.	.	H	α-helix	trans	-64	-40.3	170.8	-172.6	166.8	-112.3	0	0	112.4	P61 Q62 Q67 L68 K69 L798 S800 Y802	P61-E65 WeakPolarHBondContact O-CB 3.42Å; P61-E65 PolarHBondContact O-N 2.93Å; Q62-E65 PolarHBondContact O-N 3.23Å; E65-Q67 VanDerWaalsContact C-N 3.29Å; E65-Q67 PolarHBondContact O-N 3.4Å; E65-L68 PolarHBondContact O-N 3.29Å; E65-K69 WeakPolarHBondContact O-CB 3.41Å; E65-K69 PolarHBondContact O-N 3.17Å; E65-L798 HydrophobicContact CB-CD2 4.19Å; E65-S800 PolarHBondContact OE1-OG 3.45Å; E65-Y802 HydrophobicContact CG-CD2 3.63Å; E65-Y802 HydrophobicContact CG-CE2 3.75Å; E65-Y802 WeakPolarHBondContact OE1-CD2 3.37Å
66	K	81.9	Confident	75.7	Confident	107 Å²	107	68 Å²	68	47%	0.465	34%	0.337	S	S	.	.	H	α-helix	trans	-62.1	-36.2	173.4	-72	161.9	-172.7	169	0	111.3	Q62 L63 K70	Q62-K66 WeakPolarHBondContact O-CB 3.35Å; Q62-K66 WeakPolarHBondContact O-CD 3.46Å; Q62-K66 WeakPolarHBondContact O-CG 3.39Å; Q62-K66 PolarHBondContact O-N 2.93Å; L63-K66 HydrophobicContact CD2-CD 4.42Å; L63-K66 WeakPolarHBondContact O-CB 3.46Å; L63-K66 PolarHBondContact O-N 2.74Å; K66-K70 WeakPolarHBondContact O-CG 3.42Å; K66-K70 PolarHBondContact O-N 3.2Å; K66-K70 VanDerWaalsContact O-N 3.14Å
67	Q	78.4	Confident	74.4	Confident	115 Å²	115	72.2 Å²	72.2	54%	0.537	37%	0.365	S	S	.	.	H	α-helix	trans	-69.1	-51.1	173.4	-75.4	169.7	-43.6	0	0	111.9	L63 L64 E65 K69 K70 I71	L63-Q67 WeakPolarHBondContact O-CG 3.35Å; L63-Q67 PolarHBondContact O-N 3Å; L64-Q67 WeakPolarHBondContact O-CB 3.13Å; L64-Q67 PolarHBondContact O-N 3.25Å; E65-Q67 VanDerWaalsContact C-N 3.29Å; E65-Q67 PolarHBondContact O-N 3.4Å; Q67-K69 PolarHBondContact O-N 2.9Å; Q67-K70 WeakPolarHBondContact O-CA 2.93Å; Q67-K70 WeakPolarHBondContact O-CB 3.16Å; Q67-K70 PolarHBondContact O-N 3.45Å; Q67-I71 WeakPolarHBondContact O-CG1 3.47Å; Q67-I71 PolarHBondContact O-N 3.43Å
68	L	81.8	Confident	73.3	Confident	2 Å²	2	79.7 Å²	79.7	1%	0.01	39%	0.389	C	S	.	.	H	α-helix	trans	-54.3	-40.3	174.9	-72.1	168.5	0	0	0	111.8	L64 E65 I71 L72 I106 L798 F803 L806	L64-L68 HydrophobicContact CD2-CD1 3.66Å; L64-L68 HydrophobicContact CD2-CG 3.93Å; L64-L68 WeakPolarHBondContact O-CG 3.33Å; L64-L68 PolarHBondContact O-N 3.38Å; E65-L68 PolarHBondContact O-N 3.29Å; L68-I71 PolarHBondContact O-N 3.4Å; L68-L72 WeakPolarHBondContact O-CB 3.28Å; L68-L72 PolarHBondContact O-N 3.05Å; L68-I106 HydrophobicContact CD2-CG2 3.8Å; L68-L798 HydrophobicContact CD1-CD2 4Å; L68-F803 HydrophobicContact CD1-CB 4.02Å; L68-F803 HydrophobicContact CD2-CB 4.2Å; L68-F803 HydrophobicContact CD2-CD2 4.26Å; L68-L806 HydrophobicContact CB-CD1 4.38Å; L68-L806 HydrophobicContact CD2-CD1 3.72Å
69	K	82.3	Confident	71.9	Confident	94 Å²	94	81.6 Å²	81.6	41%	0.409	40%	0.399	S	S	.	.	H	α-helix	trans	-65	-41.2	175.3	-172.6	180	178.5	-175.3	0	112.3	E65 Q67 L72 Q73 Y802	E65-K69 WeakPolarHBondContact O-CB 3.41Å; E65-K69 PolarHBondContact O-N 3.17Å; Q67-K69 PolarHBondContact O-N 2.9Å; K69-L72 PolarHBondContact O-N 3.14Å; K69-Q73 WeakPolarHBondContact O-CB 3.49Å; K69-Q73 VanDerWaalsContact O-CG 3.31Å; K69-Q73 WeakPolarHBondContact O-CG 3.04Å; K69-Q73 PolarHBondContact O-N 3.08Å; K69-Y802 HydrophobicContact CB-CD1 4.43Å; K69-Y802 HydrophobicContact CB-CE1 4.4Å; K69-Y802 HydrophobicContact CD-CE1 4.31Å; K69-Y802 HydrophobicContact CG-CD1 4.41Å; K69-Y802 HydrophobicContact CG-CE1 4.02Å
70	K	81.7	Confident	71	Confident	134 Å²	134	83.3 Å²	83.3	58%	0.583	41%	0.413	S	S	*	.	H	α-helix	trans	-63.7	-43.4	173	-75.4	175.8	177.7	-178.6	0	111.8	K66 Q67 L72 Q73 N74	K66-K70 WeakPolarHBondContact O-CG 3.42Å; K66-K70 PolarHBondContact O-N 3.2Å; K66-K70 VanDerWaalsContact O-N 3.14Å; Q67-K70 WeakPolarHBondContact O-CA 2.93Å; Q67-K70 WeakPolarHBondContact O-CB 3.16Å; Q67-K70 PolarHBondContact O-N 3.45Å; K70-L72 VanDerWaalsContact C-N 3.35Å; K70-L72 PolarHBondContact O-N 3.27Å; K70-Q73 PolarHBondContact O-N 3.39Å; K70-N74 VanDerWaalsContact O-CG 3.28Å; K70-N74 PolarHBondContact O-N 3.38Å
71	I	79.4	Confident	70	Confident	47 Å²	47	88.2 Å²	88.2	24%	0.241	43%	0.434	C	S	.	.	H	α-helix	trans	-61.4	-44.8	176.9	-63.9	165.4	0	0	0	109.9	Q67 L68 Q73 N74 Q75 I106 L806	Q67-I71 WeakPolarHBondContact O-CG1 3.47Å; Q67-I71 PolarHBondContact O-N 3.43Å; L68-I71 PolarHBondContact O-N 3.4Å; I71-Q73 PolarHBondContact O-N 2.88Å; I71-N74 PolarHBondContact O-N 2.9Å; I71-Q75 HydrophobicContact CG2-CG 4.44Å; I71-Q75 WeakPolarHBondContact O-CB 3.44Å; I71-Q75 WeakPolarHBondContact O-CG 3.41Å; I71-Q75 PolarHBondContact O-N 3.48Å; I71-I106 HydrophobicContact CD1-CD1 4.19Å; I71-I106 HydrophobicContact CD1-CG1 4.44Å; I71-I106 HydrophobicContact CD1-CG2 4.44Å; I71-I106 HydrophobicContact CG2-CD1 4.11Å; I71-L806 HydrophobicContact CB-CD1 4.42Å; I71-L806 HydrophobicContact CG2-CD1 4.19Å; I71-L806 HydrophobicContact CG2-CD2 3.9Å
72	L	77.8	Confident	68.4	Low	11 Å²	11	93.7 Å²	93.7	6%	0.058	46%	0.456	C	S	.	.	H	α-helix	trans	-63.1	-40.9	175.1	-172.8	69.9	0	0	0	112.2	L68 K69 K70 N74 Q75 Q76 Y802 K805 L806 L809	L68-L72 WeakPolarHBondContact O-CB 3.28Å; L68-L72 PolarHBondContact O-N 3.05Å; K69-L72 PolarHBondContact O-N 3.14Å; K70-L72 VanDerWaalsContact C-N 3.35Å; K70-L72 PolarHBondContact O-N 3.27Å; L72-N74 VanDerWaalsContact C-N 3.26Å; L72-N74 PolarHBondContact O-N 3.14Å; L72-Q75 PolarHBondContact O-N 2.9Å; L72-Q76 HydrophobicContact CD1-CG 4.33Å; L72-Q76 HydrophobicContact CG-CG 4.26Å; L72-Q76 WeakPolarHBondContact O-CB 3.37Å; L72-Q76 VanDerWaalsContact O-CG 3.28Å; L72-Q76 WeakPolarHBondContact O-CG 3.18Å; L72-Q76 PolarHBondContact O-N 2.78Å; L72-Y802 HydrophobicContact CD2-CD1 3.79Å; L72-K805 HydrophobicContact CD1-CB 4.28Å; L72-K805 HydrophobicContact CD2-CB 4.41Å; L72-K805 HydrophobicContact CD2-CD 4.34Å; L72-L806 HydrophobicContact CB-CD2 4.06Å; L72-L806 HydrophobicContact CB-CG 4.33Å; L72-L806 HydrophobicContact CD1-CD2 3.84Å; L72-L806 HydrophobicContact CD1-CG 4.1Å; L72-L809 HydrophobicContact CD1-CD1 3.61Å
73	Q	74.4	Confident	67	Low	116 Å²	116	94.5 Å²	94.5	54%	0.542	46%	0.461	S	S	.	.	H	α-helix	trans	-65.9	-26.6	175.1	-75.7	177.9	-40.8	0	0	113.4	K69 K70 I71	K69-Q73 WeakPolarHBondContact O-CB 3.49Å; K69-Q73 VanDerWaalsContact O-CG 3.31Å; K69-Q73 WeakPolarHBondContact O-CG 3.04Å; K69-Q73 PolarHBondContact O-N 3.08Å; K70-Q73 PolarHBondContact O-N 3.39Å; I71-Q73 PolarHBondContact O-N 2.88Å
74	N	74.9	Confident	65.7	Low	134 Å²	134	95.5 Å²	95.5	72%	0.717	47%	0.471	S	S	*	.	H	α-helix	trans	-82.6	-33.2	174.6	-70.5	-14.5	0	0	0	112.6	K70 I71 L72	K70-N74 VanDerWaalsContact O-CG 3.28Å; K70-N74 PolarHBondContact O-N 3.38Å; I71-N74 PolarHBondContact O-N 2.9Å; L72-N74 VanDerWaalsContact C-N 3.26Å; L72-N74 PolarHBondContact O-N 3.14Å
75	Q	67.5	Low	64.2	Low	82 Å²	82	100.9 Å²	100.9	38%	0.383	50%	0.504	S	S	.	.	H	α-helix	trans	-86.4	-21.1	179.1	-71.3	-177.9	6.7	0	0	113.8	I71 L72 H810	I71-Q75 HydrophobicContact CG2-CG 4.44Å; I71-Q75 WeakPolarHBondContact O-CB 3.44Å; I71-Q75 WeakPolarHBondContact O-CG 3.41Å; I71-Q75 PolarHBondContact O-N 3.48Å; L72-Q75 PolarHBondContact O-N 2.9Å; Q75-H810 PolarHBondContact NE2-NE2 3.01Å; Q75-H810 PolarHBondContact OE1-NE2 3.14Å
76	Q	66.3	Low	62.3	Low	104 Å²	104	108 Å²	108	49%	0.486	53%	0.528	S	S	.	.	S	Bend	trans	-67.4	130	171.7	-81.5	-178.1	-42.2	0	0	110.3	L72 R78	L72-Q76 HydrophobicContact CD1-CG 4.33Å; L72-Q76 HydrophobicContact CG-CG 4.26Å; L72-Q76 WeakPolarHBondContact O-CB 3.37Å; L72-Q76 VanDerWaalsContact O-CG 3.28Å; L72-Q76 WeakPolarHBondContact O-CG 3.18Å; L72-Q76 PolarHBondContact O-N 2.78Å; Q76-R78 PolarHBondContact O-N 2.87Å
77	P	54.5	Low	60.3	Low	118 Å²	118	111.1 Å²	111.1	77%	0.766	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-61.9	131.8	176.3	26.3	-33.7	0	0	0	109.6	N79	P77-N79 PolarHBondContact O-N 2.86Å
78	R	46.8	Very low	58.6	Low	201 Å²	201	109 Å²	109	76%	0.758	55%	0.551	S	S	*	*	P	Polyproline II helix	trans	-65.2	134.8	-179.9	-67.4	-179	179.4	167.6	2.5	110.1	Q76 P80	Q76-R78 PolarHBondContact O-N 2.87Å; R78-P80 WeakPolarHBondContact O-CD 3.38Å; R78-P80 VanDerWaalsContact O-N 3.16Å
79	N	44.6	Very low	56.6	Low	108 Å²	108	117.3 Å²	117.3	58%	0.578	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-58.1	117.4	175.7	-75	-14.3	0	0	0	109.7	P77 I81 F82	P77-N79 PolarHBondContact O-N 2.86Å; N79-I81 PolarHBondContact O-N 3.19Å; N79-F82 HydrophobicContact CB-CD2 3.99Å; N79-F82 HydrophobicContact CB-CE2 4.39Å; N79-F82 PolarHBondContact O-N 3.09Å; N79-F82 VanDerWaalsContact O-N 3.08Å
80	P	52.4	Low	54.3	Low	98 Å²	98	119.9 Å²	119.9	64%	0.636	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.7	-19.3	-168.1	24	-34.5	0	0	0	113.8	R78 F82 D83	R78-P80 WeakPolarHBondContact O-CD 3.38Å; R78-P80 VanDerWaalsContact O-N 3.16Å; P80-F82 PolarHBondContact O-N 2.8Å; P80-D83 PolarHBondContact O-N 3.2Å
81	I	49.9	Very low	52	Low	128 Å²	128	123.3 Å²	123.3	66%	0.656	62%	0.624	S	S	*	*	H	α-helix	trans	-53	-39.5	173.3	-60.1	169.8	0	0	0	111.3	N79	N79-I81 PolarHBondContact O-N 3.19Å
82	F	39.8	Very low	49.9	Very low	147 Å²	147	126.8 Å²	126.8	65%	0.645	65%	0.647	S	S	*	*	H	α-helix	trans	-79.3	-18.2	-176.7	-69.6	-82.9	0	0	0	114.2	N79 P80	N79-F82 HydrophobicContact CB-CD2 3.99Å; N79-F82 HydrophobicContact CB-CE2 4.39Å; N79-F82 PolarHBondContact O-N 3.09Å; N79-F82 VanDerWaalsContact O-N 3.08Å; P80-F82 PolarHBondContact O-N 2.8Å
83	D	42.2	Very low	47.7	Very low	69 Å²	69	135.2 Å²	135.2	37%	0.369	68%	0.683	S	S	.	*	H	α-helix	trans	-76.5	-24.1	175.6	-78.6	-19.3	0	0	0	112.3	P80 V85 R86 K87	P80-D83 PolarHBondContact O-N 3.2Å; D83-V85 VanDerWaalsContact C-N 3.32Å; D83-V85 PolarHBondContact O-N 2.83Å; D83-R86 PolarHBondContact O-N 3.23Å; D83-K87 WeakPolarHBondContact O-CG 3.39Å; D83-K87 PolarHBondContact O-N 2.97Å
84	V	48.2	Very low	45.6	Very low	111 Å²	111	135.5 Å²	135.5	67%	0.673	70%	0.695	S	S	*	*	H	α-helix	trans	-62	-40.7	178	-176.2	0	0	0	0	111
85	V	43.7	Very low	43.3	Very low	129 Å²	129	135.4 Å²	135.4	78%	0.782	70%	0.699	S	S	*	*	H	α-helix	trans	-77.1	-21.5	-176.4	-173.8	0	0	0	0	112.7	D83	D83-V85 VanDerWaalsContact C-N 3.32Å; D83-V85 PolarHBondContact O-N 2.83Å
86	R	40.3	Very low	41.9	Very low	212 Å²	212	139.6 Å²	139.6	80%	0.8	72%	0.718	S	S	*	*	H	α-helix	trans	-98.8	-12.8	-178.7	-81.5	-174	174.3	168.5	0.6	115.8	D83 G88	D83-R86 PolarHBondContact O-N 3.23Å; R86-G88 PolarHBondContact O-N 2.66Å
87	K	39.7	Very low	39.9	Very low	173 Å²	173	142.9 Å²	142.9	75%	0.752	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.6	-1.8	179.5	-84.3	171.5	-179.5	177.7	0	115.9	D83	D83-K87 WeakPolarHBondContact O-CG 3.39Å; D83-K87 PolarHBondContact O-N 2.97Å
88	G	42.6	Very low	38.8	Very low	71 Å²	71	144 Å²	144	73%	0.732	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	-26	178.4	0	0	0	0	0	116	R86	R86-G88 PolarHBondContact O-N 2.66Å
89	K	40.5	Very low	37.9	Very low	176 Å²	176	138.7 Å²	138.7	77%	0.765	74%	0.735	S	S	*	*	S	Bend	trans	-151.2	98.6	-177.6	-66.9	-172.8	-179	178.9	0	112.7
90	N	32.6	Very low	37	Very low	148 Å²	148	137.4 Å²	137.4	79%	0.791	73%	0.734	S	S	*	*			trans	164.8	72.3	140.2	-84.8	-7.2	0	0	0	111	V92	N90-V92 PolarHBondContact O-N 3.27Å
91	E	34.3	Very low	36.1	Very low	207 Å²	207	141 Å²	141	97%	0.967	74%	0.742	S	S	*	*			trans	-78.4	70.4	160.6	-73.4	-160.6	164.8	0	0	110.4
92	V	35	Very low	35.3	Very low	119 Å²	119	142.1 Å²	142.1	72%	0.721	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-102.1	116.3	160.9	-179.1	0	0	0	0	106.3	N90	N90-V92 PolarHBondContact O-N 3.27Å
93	K	31.6	Very low	35.2	Very low	189 Å²	189	141.8 Å²	141.8	82%	0.822	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-55.9	128.6	175.4	-66.2	179.6	179.5	179.6	0	108.6	V95	K93-V95 PolarHBondContact O-N 2.76Å; K93-V95 VanDerWaalsContact O-N 3.11Å
94	P	30.4	Very low	35.2	Very low	122 Å²	122	146.5 Å²	146.5	79%	0.792	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-61	120.3	169.7	26.1	-32.2	0	0	0	107.7	Q96	P94-Q96 PolarHBondContact O-N 2.84Å
95	V	26.4	Very low	35.2	Very low	131 Å²	131	147.4 Å²	147.4	79%	0.794	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-60.7	134.1	168.9	172.7	0	0	0	0	107.1	K93 M97	K93-V95 PolarHBondContact O-N 2.76Å; K93-V95 VanDerWaalsContact O-N 3.11Å; V95-M97 PolarHBondContact O-N 2.92Å
96	Q	37.7	Very low	35.9	Very low	171 Å²	171	143.6 Å²	143.6	80%	0.799	75%	0.75	S	S	*	*			trans	-73.9	69.8	-176.9	-166.7	171.6	7.2	0	0	110.3	P94 N98	P94-Q96 PolarHBondContact O-N 2.84Å; Q96-N98 PolarHBondContact O-N 2.81Å
97	M	25.1	Very low	37	Very low	172 Å²	172	138.9 Å²	138.9	85%	0.847	74%	0.741	S	S	*	*			trans	-88.9	98.4	178.9	-158.9	168	-171	0	0	107.8	V95 A99	V95-M97 PolarHBondContact O-N 2.92Å; M97-A99 PolarHBondContact O-N 3.38Å
98	N	31	Very low	38.5	Very low	142 Å²	142	131 Å²	131	76%	0.759	71%	0.707	S	S	*	*			trans	-69.3	79.4	-179.8	-62.5	-21.5	0	0	0	110.4	Q96	Q96-N98 PolarHBondContact O-N 2.81Å
99	A	26.9	Very low	40.2	Very low	90 Å²	90	131.2 Å²	131.2	74%	0.744	69%	0.691	S	S	*	*			trans	-65.4	129.4	152.5	0	0	0	0	0	107.4	M97	M97-A99 PolarHBondContact O-N 3.38Å
100	S	25.9	Very low	41.9	Very low	80 Å²	80	124.5 Å²	124.5	56%	0.559	66%	0.661	S	S	*	*			trans	-57.1	139	174.4	24.1	0	0	0	0	110	E102	S100-E102 PolarHBondContact O-N 2.85Å; S100-E102 PolarHBondContact OG-OE1 3.37Å
101	E	34.2	Very low	44	Very low	175 Å²	175	120.8 Å²	120.8	82%	0.818	64%	0.642	S	S	*	*			trans	-71.8	59.1	155.7	-72	-166.8	159.3	0	0	109.2	N103	E101-N103 PolarHBondContact O-N 3.02Å; E101-N103 PolarHBondContact O-ND2 2.98Å
102	E	32.1	Very low	46.2	Very low	151 Å²	151	111 Å²	111	71%	0.706	60%	0.596	S	S	*	*			trans	-60.4	110.3	156.7	-86.9	168.5	-114.3	0	0	106.1	S100 E104	S100-E102 PolarHBondContact O-N 2.85Å; S100-E102 PolarHBondContact OG-OE1 3.37Å; E102-E104 PolarHBondContact O-N 3Å
103	N	38.4	Very low	48.4	Very low	139 Å²	139	108.7 Å²	108.7	74%	0.743	58%	0.578	S	S	*	*			trans	-70.1	84.1	171.9	-75	-108.1	0	0	0	105.3	E101 T105	E101-N103 PolarHBondContact O-N 3.02Å; E101-N103 PolarHBondContact O-ND2 2.98Å; N103-T105 VanDerWaalsContact C-N 3.31Å; N103-T105 PolarHBondContact O-N 2.96Å
104	E	42.3	Very low	50.8	Low	169 Å²	169	99.8 Å²	99.8	79%	0.79	54%	0.539	S	S	*	.			trans	-52.1	101.3	172.3	-78.6	-169.1	162.3	0	0	107.1	E102 I106	E102-E104 PolarHBondContact O-N 3Å; E104-I106 PolarHBondContact O-N 2.97Å
105	T	48	Very low	53.2	Low	129 Å²	129	94.1 Å²	94.1	79%	0.791	50%	0.502	S	S	*	.			trans	-65.8	93.2	176.1	48.5	0	0	0	0	105.8	N103 N107	N103-T105 VanDerWaalsContact C-N 3.31Å; N103-T105 PolarHBondContact O-N 2.96Å; T105-N107 PolarHBondContact O-N 3.33Å
106	I	59.2	Low	55.9	Low	49 Å²	49	88.7 Å²	88.7	25%	0.251	47%	0.47	S	S	.	.			trans	-48.9	104.8	-171.5	-57.9	176.5	0	0	0	107.3	L68 I71 E104 V108 L806	L68-I106 HydrophobicContact CD2-CG2 3.8Å; I71-I106 HydrophobicContact CD1-CD1 4.19Å; I71-I106 HydrophobicContact CD1-CG1 4.44Å; I71-I106 HydrophobicContact CD1-CG2 4.44Å; I71-I106 HydrophobicContact CG2-CD1 4.11Å; E104-I106 PolarHBondContact O-N 2.97Å; I106-V108 HydrophobicContact CG2-CG2 4.43Å; I106-V108 WeakPolarHBondContact O-CG2 3.41Å; I106-V108 PolarHBondContact O-N 2.92Å; I106-L806 HydrophobicContact CD1-CD1 4.28Å
107	N	63	Low	57.7	Low	114 Å²	114	88.5 Å²	88.5	61%	0.61	46%	0.462	S	S	*	.			trans	-76.2	98.1	-175.1	-171.8	4	0	0	0	107.2	T105 N109	T105-N107 PolarHBondContact O-N 3.33Å; N107-N109 PolarHBondContact O-N 3.2Å; N107-N109 WeakPolarHBondContact OD1-CB 3.13Å; N107-N109 PolarHBondContact OD1-N 3.2Å
108	V	71.7	Confident	60.4	Low	6 Å²	6	86.6 Å²	86.6	4%	0.036	45%	0.451	C	S	.	.			trans	-80.5	-2.8	-177.5	-152.6	0	0	0	0	111.2	L64 I106 Q797 L798 F803	L64-V108 HydrophobicContact CD2-CG1 4.34Å; I106-V108 HydrophobicContact CG2-CG2 4.43Å; I106-V108 WeakPolarHBondContact O-CG2 3.41Å; I106-V108 PolarHBondContact O-N 2.92Å; V108-Q797 HydrophobicContact CB-CG 3.81Å; V108-Q797 HydrophobicContact CG1-CG 4.09Å; V108-Q797 WeakPolarHBondContact O-CA 3.46Å; V108-L798 HydrophobicContact CG1-CB 3.94Å; V108-L798 WeakPolarHBondContact CG1-O 3.48Å; V108-L798 PolarHBondContact O-N 3.4Å; V108-F803 HydrophobicContact CG1-CD1 4.17Å; V108-F803 HydrophobicContact CG1-CE1 4.37Å; V108-F803 HydrophobicContact CG1-CG 4.25Å; V108-F803 HydrophobicContact CG2-CD1 4.46Å; V108-F803 HydrophobicContact CG2-CD2 3.97Å; V108-F803 HydrophobicContact CG2-CE1 4.05Å; V108-F803 HydrophobicContact CG2-CE2 3.53Å; V108-F803 HydrophobicContact CG2-CG 4.43Å; V108-F803 HydrophobicContact CG2-CZ 3.57Å
109	N	77.3	Confident	62.8	Low	76 Å²	76	84 Å²	84	41%	0.406	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	133.3	178.4	-58.7	-7.7	0	0	0	110.1	N107 R796 Q797	N107-N109 PolarHBondContact O-N 3.2Å; N107-N109 WeakPolarHBondContact OD1-CB 3.13Å; N107-N109 PolarHBondContact OD1-N 3.2Å; N109-R796 CarbonylContact C-O 3.57Å; N109-R796 VanDerWaalsContact CA-O 3.26Å; N109-R796 WeakPolarHBondContact CA-O 3.41Å; N109-Q797 WeakPolarHBondContact OD1-CG 3.47Å
110	Y	77.8	Confident	65.5	Low	35 Å²	35	79.7 Å²	79.7	14%	0.137	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	147.7	175.2	66.5	-75.8	0	0	0	109.3	A60 P61 I112 R796 L798	A60-Y110 HydrophobicContact CB-CD2 4.31Å; P61-Y110 HydrophobicContact CB-CD2 4.18Å; P61-Y110 HydrophobicContact CB-CE1 4.48Å; P61-Y110 HydrophobicContact CB-CE2 3.71Å; P61-Y110 HydrophobicContact CG-CD2 4.3Å; P61-Y110 HydrophobicContact CG-CE2 3.82Å; Y110-I112 HydrophobicContact CD2-CD1 4.31Å; Y110-I112 HydrophobicContact CD2-CG1 3.83Å; Y110-I112 HydrophobicContact CE2-CD1 3.45Å; Y110-I112 VanDerWaalsContact CE2-CD1 3.45Å; Y110-I112 HydrophobicContact CE2-CG1 3.48Å; Y110-I112 VanDerWaalsContact CE2-CG1 3.48Å; Y110-R796 WeakPolarHBondContact CD1-O 3.34Å; Y110-R796 HydrophobicContact CE1-CB 4.35Å; Y110-R796 WeakPolarHBondContact CE1-O 3.46Å; Y110-R796 PolarHBondContact N-O 3.12Å; Y110-R796 PolarHBondContact O-N 2.93Å; Y110-L798 HydrophobicContact CD1-CB 4Å; Y110-L798 HydrophobicContact CE1-CB 3.76Å; Y110-L798 HydrophobicContact CE1-CD1 3.98Å
111	N	76.3	Confident	68.3	Low	71 Å²	71	76.9 Å²	76.9	38%	0.38	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	136.4	-176.1	-60	14.9	0	0	0	109.7	N58 E793 E794	N58-N111 PolarHBondContact ND2-O 3.03Å; N58-N111 VanDerWaalsContact ND2-O 3.08Å; N111-E793 HydrophobicContact CB-CG 4.1Å; N111-E793 VanDerWaalsContact CB-OE1 3.3Å; N111-E793 WeakPolarHBondContact CB-OE1 3.39Å; N111-E793 PolarHBondContact ND2-OE1 3.28Å; N111-E794 WeakPolarHBondContact CA-O 3.45Å
112	I	80.6	Confident	70.7	Confident	2 Å²	2	74.4 Å²	74.4	1%	0.01	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	133.7	175.2	-41.5	179.1	0	0	0	108.2	E55 Y110 E794 R796	E55-I112 HydrophobicContact CB-CG2 3.94Å; E55-I112 HydrophobicContact CG-CD1 4.45Å; E55-I112 HydrophobicContact CG-CG2 3.96Å; Y110-I112 HydrophobicContact CD2-CD1 4.31Å; Y110-I112 HydrophobicContact CD2-CG1 3.83Å; Y110-I112 HydrophobicContact CE2-CD1 3.45Å; Y110-I112 VanDerWaalsContact CE2-CD1 3.45Å; Y110-I112 HydrophobicContact CE2-CG1 3.48Å; Y110-I112 VanDerWaalsContact CE2-CG1 3.48Å; I112-E794 PolarHBondContact N-O 2.88Å; I112-E794 PolarHBondContact O-N 3Å; I112-R796 HydrophobicContact CD1-CB 4.43Å; I112-R796 HydrophobicContact CD1-CG 4.27Å
113	M	80.6	Confident	73.4	Confident	70 Å²	70	68.3 Å²	68.3	35%	0.345	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	121.8	165.6	-56.9	-50.6	-58.9	0	0	108.4	V56 L791 E793	V56-M113 HydrophobicContact CB-CB 4.21Å; V56-M113 WeakPolarHBondContact CB-O 3.27Å; V56-M113 HydrophobicContact CG2-CB 4Å; V56-M113 WeakPolarHBondContact CG2-O 3.23Å; V56-M113 PolarHBondContact N-O 2.9Å; M113-L791 HydrophobicContact CB-CD2 4.47Å; M113-L791 HydrophobicContact CE-CB 3.97Å; M113-E793 HydrophobicContact CE-CB 4.07Å; M113-E793 HydrophobicContact SD-CB 3.89Å; M113-E793 HydrophobicContact SD-CG 3.94Å
114	C	81.2	Confident	75.7	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.007	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	143.4	178.4	-66.5	0	0	0	0	109.8	V53 F54 L791 V792 E794 R796	V53-C114 HydrophobicContact CG1-CB 3.62Å; F54-C114 WeakPolarHBondContact O-CA 3.02Å; C114-L791 CarbonylContact O-C 3.55Å; C114-L791 WeakPolarHBondContact O-CA 3.48Å; C114-V792 PolarHBondContact N-O 3.14Å; C114-V792 PolarHBondContact O-N 2.57Å; C114-E794 HydrophobicContact CB-CG 4.44Å; C114-R796 PolarHBondContact SG-NH2 3.49Å; C114-R796 VanDerWaalsContact SG-NH2 3.4Å
115	L	81.9	Confident	77.8	Confident	3 Å²	3	55.3 Å²	55.3	2%	0.016	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	137.4	169.4	-65.5	165.7	0	0	0	109.1	I45 F54 R117 Y786 V789 L791	I45-L115 HydrophobicContact CD1-CD1 4.11Å; I45-L115 HydrophobicContact CG2-CD1 4.21Å; F54-L115 HydrophobicContact CB-CB 4.32Å; F54-L115 HydrophobicContact CB-CD1 4.02Å; F54-L115 PolarHBondContact O-N 3.32Å; L115-R117 PolarHBondContact O-N 3.41Å; L115-Y786 HydrophobicContact CD1-CE2 4.35Å; L115-Y786 HydrophobicContact CD2-CD2 4.37Å; L115-Y786 HydrophobicContact CD2-CE2 3.71Å; L115-Y786 HydrophobicContact CG-CE2 4.48Å; L115-V789 HydrophobicContact CB-CG1 4.27Å; L115-V789 HydrophobicContact CD2-CB 3.95Å; L115-V789 HydrophobicContact CD2-CG1 3.65Å; L115-L791 HydrophobicContact CD2-CD2 3.62Å; L115-L791 HydrophobicContact CD2-CG 4.46Å; L115-L791 HydrophobicContact CG-CD2 4.24Å
116	S	81.9	Confident	79.6	Confident	17 Å²	17	57.2 Å²	57.2	12%	0.119	27%	0.267	C	S	.	.			trans	-54	131.2	175.7	72	0	0	0	0	109.9	E118 E119 G120 E790	S116-E118 VanDerWaalsContact C-N 3.35Å; S116-E118 PolarHBondContact O-N 3.42Å; S116-E119 PolarHBondContact O-N 2.87Å; S116-E119 VanDerWaalsContact OG-CB 3.3Å; S116-E119 WeakPolarHBondContact OG-CB 3.44Å; S116-E119 WeakPolarHBondContact OG-CG 3.41Å; S116-E119 PolarHBondContact OG-OE2 3.15Å; S116-G120 WeakPolarHBondContact O-CA 3.3Å; S116-G120 PolarHBondContact O-N 3.05Å; S116-E790 PolarHBondContact N-O 2.74Å
117	R	77	Confident	80.7	Confident	167 Å²	167	59.6 Å²	59.6	63%	0.63	28%	0.275	S	S	*	.	H	α-helix	trans	-55.2	-47.5	-162.3	-175.5	176.2	175.5	-174.8	-2.9	113	L115 I121	L115-R117 PolarHBondContact O-N 3.41Å; R117-I121 HydrophobicContact CG-CD1 4.24Å; R117-I121 WeakPolarHBondContact O-CB 3.45Å; R117-I121 WeakPolarHBondContact O-CD1 3.22Å; R117-I121 WeakPolarHBondContact O-CG1 3.35Å; R117-I121 PolarHBondContact O-N 2.96Å
118	E	80.3	Confident	81.9	Confident	133 Å²	133	54.3 Å²	54.3	62%	0.621	25%	0.246	S	C	*	.	H	α-helix	trans	-73	-46.6	-179.1	-76	-164.8	-138.6	0	0	113.7	S116 K122	S116-E118 VanDerWaalsContact C-N 3.35Å; S116-E118 PolarHBondContact O-N 3.42Å; E118-K122 WeakPolarHBondContact O-CB 3.47Å; E118-K122 VanDerWaalsContact O-CD 3.27Å; E118-K122 WeakPolarHBondContact O-CD 3.37Å; E118-K122 WeakPolarHBondContact O-CG 3.43Å; E118-K122 PolarHBondContact O-N 3.21Å; E118-K122 IonicContact OE2-NZ 2.95Å; E118-K122 PolarHBondContact OE2-NZ 3.03Å
119	E	83.1	Confident	82.5	Confident	86 Å²	86	54 Å²	54	40%	0.402	25%	0.245	S	C	.	.	H	α-helix	trans	-72.5	-37.5	-177.3	-52.4	-170.5	127.9	0	0	111.5	S116 K122 W123 V789 E790	S116-E119 PolarHBondContact O-N 2.87Å; S116-E119 VanDerWaalsContact OG-CB 3.3Å; S116-E119 WeakPolarHBondContact OG-CB 3.44Å; S116-E119 WeakPolarHBondContact OG-CG 3.41Å; S116-E119 PolarHBondContact OG-OE2 3.15Å; E119-K122 PolarHBondContact O-N 2.86Å; E119-W123 WeakPolarHBondContact O-CB 3.42Å; E119-W123 PolarHBondContact O-N 3.29Å; E119-V789 HydrophobicContact CB-CG1 3.9Å; E119-E790 WeakPolarHBondContact OE2-CB 3.26Å; E119-E790 PolarHBondContact OE2-N 2.83Å
120	G	82.9	Confident	83	Confident	1 Å²	1	53 Å²	53	1%	0.01	24%	0.242	C	C	.	.	H	α-helix	trans	-58.5	-46.7	174	0	0	0	0	0	111.9	S116 W123 I124	S116-G120 WeakPolarHBondContact O-CA 3.3Å; S116-G120 PolarHBondContact O-N 3.05Å; G120-W123 PolarHBondContact O-N 2.9Å; G120-I124 WeakPolarHBondContact O-CB 3.36Å; G120-I124 WeakPolarHBondContact O-CG1 3.47Å; G120-I124 PolarHBondContact O-N 3.32Å
121	I	84.7	Confident	83.3	Confident	21 Å²	21	51.8 Å²	51.8	11%	0.108	24%	0.239	C	C	.	.	H	α-helix	trans	-62.9	-48.6	174.1	-70.7	168.5	0	0	0	111	E19 F54 R117 W123 I124 K125	E19-I121 HydrophobicContact CG-CG2 3.9Å; E19-I121 WeakPolarHBondContact OE1-CG2 3.39Å; F54-I121 HydrophobicContact CD2-CG1 4.45Å; F54-I121 HydrophobicContact CE2-CG1 3.9Å; R117-I121 HydrophobicContact CG-CD1 4.24Å; R117-I121 WeakPolarHBondContact O-CB 3.45Å; R117-I121 WeakPolarHBondContact O-CD1 3.22Å; R117-I121 WeakPolarHBondContact O-CG1 3.35Å; R117-I121 PolarHBondContact O-N 2.96Å; I121-W123 VanDerWaalsContact C-N 3.31Å; I121-W123 PolarHBondContact O-N 3.41Å; I121-I124 PolarHBondContact O-N 2.81Å; I121-K125 HydrophobicContact CG2-CD 4.25Å; I121-K125 HydrophobicContact CG2-CG 4.49Å; I121-K125 WeakPolarHBondContact O-CG 3.49Å; I121-K125 PolarHBondContact O-N 2.99Å
122	K	84.9	Confident	83.8	Confident	123 Å²	123	48.4 Å²	48.4	54%	0.535	22%	0.221	S	C	.	.	H	α-helix	trans	-61	-38.3	179.1	-69.4	162.5	-165.1	170	0	111.9	E118 E119 K126	E118-K122 WeakPolarHBondContact O-CB 3.47Å; E118-K122 VanDerWaalsContact O-CD 3.27Å; E118-K122 WeakPolarHBondContact O-CD 3.37Å; E118-K122 WeakPolarHBondContact O-CG 3.43Å; E118-K122 PolarHBondContact O-N 3.21Å; E118-K122 IonicContact OE2-NZ 2.95Å; E118-K122 PolarHBondContact OE2-NZ 3.03Å; E119-K122 PolarHBondContact O-N 2.86Å; K122-K126 VanDerWaalsContact O-CB 3.29Å; K122-K126 WeakPolarHBondContact O-CB 3.34Å; K122-K126 PolarHBondContact O-N 3.37Å; K122-K126 VanDerWaalsContact O-N 3.16Å
123	W	87.2	Confident	84.1	Confident	22 Å²	22	50.1 Å²	50.1	8%	0.083	23%	0.231	C	C	.	.	H	α-helix	trans	-68.5	-45.3	175	-179.4	91.4	0	0	0	111.5	I45 E119 G120 I121 K126 K127 R128 A785 Y786 V789	I45-W123 HydrophobicContact CD1-CH2 3.93Å; I45-W123 HydrophobicContact CD1-CZ3 3.69Å; E119-W123 WeakPolarHBondContact O-CB 3.42Å; E119-W123 PolarHBondContact O-N 3.29Å; G120-W123 PolarHBondContact O-N 2.9Å; I121-W123 VanDerWaalsContact C-N 3.31Å; I121-W123 PolarHBondContact O-N 3.41Å; W123-K126 CarbonylContact O-C 3.56Å; W123-K126 PolarHBondContact O-N 3.41Å; W123-K126 VanDerWaalsContact O-N 3.15Å; W123-K127 HydrophobicContact CD2-CB 4.44Å; W123-K127 VanDerWaalsContact O-CB 3.3Å; W123-K127 WeakPolarHBondContact O-CB 3.47Å; W123-K127 PolarHBondContact O-N 2.76Å; W123-R128 HydrophobicContact CH2-CG 4.32Å; W123-R128 HydrophobicContact CZ3-CG 4.04Å; W123-A785 PolarHBondContact NE1-O 3Å; W123-Y786 AromaticContact CH2-CD2 3.95Å; W123-Y786 HydrophobicContact CH2-CD2 3.95Å; W123-Y786 HydrophobicContact CZ2-CD2 4.07Å; W123-Y786 HydrophobicContact CZ2-CG 4.48Å; W123-Y786 HydrophobicContact CZ3-CD2 4.48Å; W123-V789 HydrophobicContact CB-CG2 3.72Å; W123-V789 VanDerWaalsContact CD1-CG2 3.47Å; W123-V789 HydrophobicContact CD2-CG2 4.09Å; W123-V789 HydrophobicContact CG-CG2 3.51Å
124	I	87.6	Confident	84.3	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-62.5	-47.1	177.3	-78.6	-178	0	0	0	111.6	F18 F32 L36 F54 G120 I121 K126 K127 R128 L129	F18-I124 HydrophobicContact CE1-CG2 3.92Å; F18-I124 HydrophobicContact CZ-CG2 4.22Å; F32-I124 HydrophobicContact CE1-CG2 4.13Å; F32-I124 HydrophobicContact CZ-CG2 3.68Å; L36-I124 HydrophobicContact CD1-CD1 4.37Å; F54-I124 HydrophobicContact CB-CD1 4.48Å; F54-I124 HydrophobicContact CD1-CD1 3.27Å; F54-I124 HydrophobicContact CD2-CD1 3.81Å; F54-I124 HydrophobicContact CE1-CD1 3.19Å; F54-I124 HydrophobicContact CE2-CD1 3.76Å; F54-I124 HydrophobicContact CG-CD1 3.58Å; F54-I124 HydrophobicContact CZ-CD1 3.46Å; F54-I124 VanDerWaalsContact CZ-CD1 3.46Å; F54-I124 HydrophobicContact CZ-CG2 4.48Å; G120-I124 WeakPolarHBondContact O-CB 3.36Å; G120-I124 WeakPolarHBondContact O-CG1 3.47Å; G120-I124 PolarHBondContact O-N 3.32Å; I121-I124 PolarHBondContact O-N 2.81Å; I124-K126 PolarHBondContact O-N 3.08Å; I124-K127 PolarHBondContact O-N 3.38Å; I124-R128 HydrophobicContact CG1-CG 4.45Å; I124-R128 HydrophobicContact CG2-CB 4.25Å; I124-R128 PolarHBondContact O-N 3.48Å; I124-L129 PolarHBondContact O-N 3.46Å
125	K	86	Confident	84.5	Confident	35 Å²	35	48.2 Å²	48.2	15%	0.152	22%	0.221	C	C	.	.	H	α-helix	trans	-55	-40.5	173.1	-74.3	-175.1	172.2	-174.4	0	111.2	E15 F18 E19 I121 L129 P130	E15-K125 WeakPolarHBondContact O-CE 3.39Å; E15-K125 PolarHBondContact O-NZ 2.86Å; F18-K125 HydrophobicContact CD1-CG 4.02Å; F18-K125 HydrophobicContact CE1-CG 4.48Å; E19-K125 VanDerWaalsContact OE1-CE 3.26Å; E19-K125 WeakPolarHBondContact OE1-CE 3.27Å; E19-K125 IonicContact OE1-NZ 3.31Å; E19-K125 PolarHBondContact OE1-NZ 2.81Å; I121-K125 HydrophobicContact CG2-CD 4.25Å; I121-K125 HydrophobicContact CG2-CG 4.49Å; I121-K125 WeakPolarHBondContact O-CG 3.49Å; I121-K125 PolarHBondContact O-N 2.99Å; K125-L129 HydrophobicContact CG-CD2 4.25Å; K125-P130 WeakPolarHBondContact O-CD 3.36Å
126	K	85.4	Confident	84.7	Confident	170 Å²	170	48.7 Å²	48.7	74%	0.739	22%	0.223	S	C	*	.	H	α-helix	trans	-81.9	-22.4	-178.6	-168.7	166.6	-173.9	168	0	116.1	K122 W123 I124	K122-K126 VanDerWaalsContact O-CB 3.29Å; K122-K126 WeakPolarHBondContact O-CB 3.34Å; K122-K126 PolarHBondContact O-N 3.37Å; K122-K126 VanDerWaalsContact O-N 3.16Å; W123-K126 CarbonylContact O-C 3.56Å; W123-K126 PolarHBondContact O-N 3.41Å; W123-K126 VanDerWaalsContact O-N 3.15Å; I124-K126 PolarHBondContact O-N 3.08Å
127	K	84	Confident	84.9	Confident	99 Å²	99	47.9 Å²	47.9	43%	0.43	22%	0.218	S	C	.	.	H	α-helix	trans	-129	-23.4	-168.7	-72.1	-61.9	-165.4	174.7	0	116.5	W123 I124	W123-K127 HydrophobicContact CD2-CB 4.44Å; W123-K127 VanDerWaalsContact O-CB 3.3Å; W123-K127 WeakPolarHBondContact O-CB 3.47Å; W123-K127 PolarHBondContact O-N 2.76Å; I124-K127 PolarHBondContact O-N 3.38Å
128	R	86.3	Confident	85.4	Confident	2 Å²	2	40.6 Å²	40.6	1%	0.008	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.6	-41.5	-175.5	-66.6	-65.4	-171.3	-109.6	1.7	112.1	F35 L36 W123 I124 A131 F132 D782	F35-R128 HydrophobicContact CE1-CB 4.22Å; L36-R128 HydrophobicContact CD2-CB 4Å; L36-R128 HydrophobicContact CD2-CG 3.85Å; W123-R128 HydrophobicContact CH2-CG 4.32Å; W123-R128 HydrophobicContact CZ3-CG 4.04Å; I124-R128 HydrophobicContact CG1-CG 4.45Å; I124-R128 HydrophobicContact CG2-CB 4.25Å; I124-R128 PolarHBondContact O-N 3.48Å; R128-A131 PolarHBondContact O-N 2.89Å; R128-F132 PolarHBondContact O-N 3.39Å; R128-D782 IonicContact CZ-OD1 2.79Å; R128-D782 IonicContact CZ-OD2 3.1Å; R128-D782 IonicContact NH1-OD1 3.37Å; R128-D782 PolarHBondContact NH1-OD1 3.3Å; R128-D782 IonicContact NH1-OD2 2.74Å; R128-D782 IonicContact NH2-OD1 3.62Å; R128-D782 PolarHBondContact NH2-OD1 3.41Å; R128-D782 IonicContact NH2-OD2 3.1Å; R128-D782 PolarHBondContact NH2-OD2 3.3Å
129	L	86.1	Confident	85.8	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-57	-45.3	-179.9	-179.9	60.8	0	0	0	113.8	E15 F18 I124 K125 A131 F132 L133	E15-L129 HydrophobicContact CB-CD2 4.47Å; E15-L129 HydrophobicContact CG-CD2 4.06Å; F18-L129 HydrophobicContact CB-CD2 4.23Å; F18-L129 HydrophobicContact CD1-CD2 4.02Å; F18-L129 HydrophobicContact CD2-CD1 3.78Å; F18-L129 HydrophobicContact CD2-CD2 4.35Å; F18-L129 HydrophobicContact CE1-CD2 4.46Å; F18-L129 HydrophobicContact CE2-CD1 3.74Å; F18-L129 HydrophobicContact CG-CD1 4.22Å; F18-L129 HydrophobicContact CG-CD2 3.94Å; F18-L129 HydrophobicContact CZ-CD1 4.14Å; I124-L129 PolarHBondContact O-N 3.46Å; K125-L129 HydrophobicContact CG-CD2 4.25Å; L129-A131 VanDerWaalsContact C-N 3.27Å; L129-A131 PolarHBondContact O-N 2.83Å; L129-F132 HydrophobicContact CD1-CD1 4.44Å; L129-F132 PolarHBondContact O-N 2.86Å; L129-F132 VanDerWaalsContact O-N 3.14Å; L129-L133 HydrophobicContact CD1-CD1 4.04Å; L129-L133 HydrophobicContact CD1-CD2 4.26Å; L129-L133 HydrophobicContact CD1-CG 3.88Å; L129-L133 HydrophobicContact CG-CD1 4.06Å; L129-L133 HydrophobicContact CG-CG 4.35Å; L129-L133 WeakPolarHBondContact O-CG 3.49Å; L129-L133 PolarHBondContact O-N 2.87Å
130	P	86.5	Confident	85.9	Confident	54 Å²	54	30.8 Å²	30.8	35%	0.351	14%	0.144	S	C	.	.	H	α-helix	trans	-68.3	-26.1	-179.8	-20.9	34.8	0	0	0	113.3	K125 E134	K125-P130 WeakPolarHBondContact O-CD 3.36Å; P130-E134 WeakPolarHBondContact O-CG 3.48Å
131	A	84.8	Confident	86.2	Confident	10 Å²	10	31 Å²	31	8%	0.083	15%	0.145	C	C	.	.	H	α-helix	trans	-80.4	-34.2	173.2	0	0	0	0	0	111.6	F35 R128 L129 E134 S135 F678	F35-A131 HydrophobicContact CE2-CB 4.41Å; F35-A131 HydrophobicContact CZ-CB 3.79Å; R128-A131 PolarHBondContact O-N 2.89Å; L129-A131 VanDerWaalsContact C-N 3.27Å; L129-A131 PolarHBondContact O-N 2.83Å; A131-E134 CarbonylContact O-C 3.42Å; A131-E134 PolarHBondContact O-N 3.28Å; A131-S135 PolarHBondContact O-N 2.92Å; A131-F678 HydrophobicContact CB-CD2 4.06Å
132	F	87	Confident	86.2	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-65.9	-48	174.6	175.9	-113.4	0	0	0	112.3	L28 F32 F35 R128 L129 E134 S135 C137 Y138	L28-F132 HydrophobicContact CD1-CE1 3.67Å; L28-F132 HydrophobicContact CD1-CZ 3.9Å; F32-F132 HydrophobicContact CB-CE2 4.36Å; F32-F132 HydrophobicContact CB-CZ 4.2Å; F32-F132 HydrophobicContact CD2-CB 4.16Å; F32-F132 AromaticContact CD2-CD1 3.75Å; F32-F132 HydrophobicContact CD2-CD1 3.75Å; F32-F132 AromaticContact CD2-CD2 3.75Å; F32-F132 HydrophobicContact CD2-CD2 3.75Å; F32-F132 HydrophobicContact CD2-CE1 4.02Å; F32-F132 AromaticContact CD2-CE2 4Å; F32-F132 HydrophobicContact CD2-CE2 4Å; F32-F132 AromaticContact CD2-CG 3.6Å; F32-F132 HydrophobicContact CD2-CG 3.6Å; F32-F132 HydrophobicContact CD2-CZ 4.13Å; F32-F132 HydrophobicContact CE2-CB 3.94Å; F32-F132 HydrophobicContact CE2-CD1 4.14Å; F32-F132 HydrophobicContact CE2-CD2 4.37Å; F32-F132 AromaticContact CE2-CG 3.89Å; F32-F132 HydrophobicContact CE2-CG 3.89Å; F35-F132 HydrophobicContact CB-CD2 3.72Å; F35-F132 HydrophobicContact CB-CE2 4.14Å; F35-F132 HydrophobicContact CD1-CB 3.96Å; F35-F132 HydrophobicContact CD1-CD2 4.06Å; F35-F132 HydrophobicContact CD1-CG 4.38Å; F35-F132 HydrophobicContact CD2-CB 4.28Å; F35-F132 AromaticContact CD2-CD2 3.92Å; F35-F132 HydrophobicContact CD2-CD2 3.92Å; F35-F132 HydrophobicContact CE1-CB 3.8Å; F35-F132 HydrophobicContact CE2-CB 4.13Å; F35-F132 HydrophobicContact CG-CB 4.2Å; F35-F132 AromaticContact CG-CD2 3.63Å; F35-F132 HydrophobicContact CG-CD2 3.63Å; F35-F132 HydrophobicContact CG-CG 4.35Å; F35-F132 HydrophobicContact CZ-CB 3.89Å; F35-F132 VanDerWaalsContact CZ-N 3.35Å; R128-F132 PolarHBondContact O-N 3.39Å; L129-F132 HydrophobicContact CD1-CD1 4.44Å; L129-F132 PolarHBondContact O-N 2.86Å; L129-F132 VanDerWaalsContact O-N 3.14Å; F132-E134 PolarHBondContact O-N 3Å; F132-E134 VanDerWaalsContact O-N 3.1Å; F132-S135 VanDerWaalsContact O-CB 3.29Å; F132-S135 WeakPolarHBondContact O-CB 3.43Å; F132-S135 PolarHBondContact O-N 3.24Å; F132-S135 PolarHBondContact O-OG 3.29Å; F132-C137 HydrophobicContact CD2-CB 4.4Å; F132-C137 HydrophobicContact CE2-CB 3.99Å; F132-Y138 HydrophobicContact CD1-CD2 4.34Å; F132-Y138 AromaticContact CE1-CD2 3.69Å; F132-Y138 HydrophobicContact CE1-CD2 3.69Å; F132-Y138 HydrophobicContact CE1-CG 4.23Å; F132-Y138 HydrophobicContact CZ-CD2 4.08Å; F132-Y138 HydrophobicContact CZ-CG 4.48Å; F132-Y138 WeakPolarHBondContact O-CB 3.49Å
133	L	85.6	Confident	86.2	Confident	39 Å²	39	25.9 Å²	25.9	20%	0.204	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-20.8	177.9	-67.1	173.9	0	0	0	113.2	I13 L129 Y138	I13-L133 HydrophobicContact CB-CD2 4.28Å; L129-L133 HydrophobicContact CD1-CD1 4.04Å; L129-L133 HydrophobicContact CD1-CD2 4.26Å; L129-L133 HydrophobicContact CD1-CG 3.88Å; L129-L133 HydrophobicContact CG-CD1 4.06Å; L129-L133 HydrophobicContact CG-CG 4.35Å; L129-L133 WeakPolarHBondContact O-CG 3.49Å; L129-L133 PolarHBondContact O-N 2.87Å; L133-Y138 HydrophobicContact CD2-CD1 4.18Å; L133-Y138 HydrophobicContact CD2-CD2 4.14Å; L133-Y138 HydrophobicContact CD2-CE1 3.78Å; L133-Y138 HydrophobicContact CD2-CE2 3.76Å; L133-Y138 HydrophobicContact CD2-CG 4.34Å; L133-Y138 VanDerWaalsContact O-CD1 3.27Å; L133-Y138 WeakPolarHBondContact O-CD1 3.46Å
134	E	85.1	Confident	86.1	Confident	30 Å²	30	24.8 Å²	24.8	14%	0.14	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	17.6	176.9	-64.3	-167.3	-162.7	0	0	113	P130 A131 F132 V443 K445 G676 K681	P130-E134 WeakPolarHBondContact O-CG 3.48Å; A131-E134 CarbonylContact O-C 3.42Å; A131-E134 PolarHBondContact O-N 3.28Å; F132-E134 PolarHBondContact O-N 3Å; F132-E134 VanDerWaalsContact O-N 3.1Å; E134-V443 HydrophobicContact CB-CG1 3.52Å; E134-V443 HydrophobicContact CG-CG1 3.58Å; E134-V443 HydrophobicContact CG-CG2 4.23Å; E134-K445 IonicContact OE1-NZ 2.66Å; E134-K445 PolarHBondContact OE1-NZ 3.07Å; E134-G676 VanDerWaalsContact O-CA 3.28Å; E134-G676 WeakPolarHBondContact O-CA 3.33Å; E134-K681 VanDerWaalsContact OE2-CE 3.28Å; E134-K681 WeakPolarHBondContact OE2-CE 3.42Å; E134-K681 IonicContact OE2-NZ 2.73Å; E134-K681 PolarHBondContact OE2-NZ 2.87Å
135	S	86.9	Confident	85.9	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.13	C	C	.	.	S	Bend	trans	-113.4	153.2	-174.4	77.5	0	0	0	0	115.5	A131 F132 C137 Y138 F139 R674	A131-S135 PolarHBondContact O-N 2.92Å; F132-S135 VanDerWaalsContact O-CB 3.29Å; F132-S135 WeakPolarHBondContact O-CB 3.43Å; F132-S135 PolarHBondContact O-N 3.24Å; F132-S135 PolarHBondContact O-OG 3.29Å; S135-C137 PolarHBondContact O-N 3.34Å; S135-C137 VanDerWaalsContact O-N 3.16Å; S135-C137 PolarHBondContact OG-N 2.9Å; S135-Y138 PolarHBondContact O-N 2.98Å; S135-Y138 VanDerWaalsContact O-N 3.07Å; S135-Y138 PolarHBondContact OG-N 2.99Å; S135-F139 WeakPolarHBondContact O-CD2 3.48Å; S135-F139 WeakPolarHBondContact O-CG 3.48Å; S135-F139 PolarHBondContact O-N 3.26Å; S135-F139 VanDerWaalsContact O-N 3.12Å; S135-R674 WeakPolarHBondContact CB-O 3.48Å
136	D	85.7	Confident	85.8	Confident	14 Å²	14	26.1 Å²	26.1	8%	0.075	12%	0.123	C	C	.	.	H	α-helix	trans	-54.8	-30.5	169.6	-76	-15.2	0	0	0	113	Y138 F139 E140 M436 R440 N673 R674	D136-Y138 VanDerWaalsContact C-N 3.34Å; D136-F139 PolarHBondContact O-N 3.44Å; D136-E140 WeakPolarHBondContact O-CB 3.31Å; D136-E140 WeakPolarHBondContact O-CG 3.38Å; D136-E140 PolarHBondContact O-N 2.88Å; D136-M436 HydrophobicContact CB-CE 4.33Å; D136-R440 IonicContact OD1-CZ 2.63Å; D136-R440 VanDerWaalsContact OD1-CZ 3.31Å; D136-R440 IonicContact OD1-NE 3.96Å; D136-R440 PolarHBondContact OD1-NE 3.25Å; D136-R440 IonicContact OD1-NH2 2.67Å; D136-R440 PolarHBondContact OD1-NH2 2.94Å; D136-R440 IonicContact OD2-CZ 3.63Å; D136-R440 IonicContact OD2-NE 2.72Å; D136-R440 IonicContact OD2-NH2 3.3Å; D136-R440 PolarHBondContact OD2-NH2 3.28Å; D136-N673 WeakPolarHBondContact CB-O 3.47Å; D136-N673 PolarHBondContact N-O 2.92Å; D136-N673 WeakPolarHBondContact OD2-CB 3.44Å; D136-R674 HydrophobicContact CB-CG 3.92Å
137	C	85.8	Confident	85.6	Confident	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-65.4	-37.8	178.1	-69.6	0	0	0	0	112.1	F35 F132 S135 Y141	F35-C137 HydrophobicContact CB-CB 4.29Å; F132-C137 HydrophobicContact CD2-CB 4.4Å; F132-C137 HydrophobicContact CE2-CB 3.99Å; S135-C137 PolarHBondContact O-N 3.34Å; S135-C137 VanDerWaalsContact O-N 3.16Å; S135-C137 PolarHBondContact OG-N 2.9Å; C137-Y141 WeakPolarHBondContact O-CB 3.24Å; C137-Y141 PolarHBondContact O-N 2.92Å; C137-Y141 VanDerWaalsContact O-N 3.09Å
138	Y	87.5	Confident	85.4	Confident	13 Å²	13	14.4 Å²	14.4	5%	0.051	8%	0.075	C	C	.	.	H	α-helix	trans	-72.9	-42.5	173.5	177.1	-117.6	0	0	0	111.6	P11 I13 F132 L133 S135 D136 E140 Y141 R142	P11-Y138 PolarHBondContact O-OH 3.11Å; I13-Y138 HydrophobicContact CD1-CE2 3.88Å; I13-Y138 HydrophobicContact CG1-CE2 4.14Å; I13-Y138 PolarHBondContact N-OH 3.09Å; F132-Y138 HydrophobicContact CD1-CD2 4.34Å; F132-Y138 AromaticContact CE1-CD2 3.69Å; F132-Y138 HydrophobicContact CE1-CD2 3.69Å; F132-Y138 HydrophobicContact CE1-CG 4.23Å; F132-Y138 HydrophobicContact CZ-CD2 4.08Å; F132-Y138 HydrophobicContact CZ-CG 4.48Å; F132-Y138 WeakPolarHBondContact O-CB 3.49Å; L133-Y138 HydrophobicContact CD2-CD1 4.18Å; L133-Y138 HydrophobicContact CD2-CD2 4.14Å; L133-Y138 HydrophobicContact CD2-CE1 3.78Å; L133-Y138 HydrophobicContact CD2-CE2 3.76Å; L133-Y138 HydrophobicContact CD2-CG 4.34Å; L133-Y138 VanDerWaalsContact O-CD1 3.27Å; L133-Y138 WeakPolarHBondContact O-CD1 3.46Å; S135-Y138 PolarHBondContact O-N 2.98Å; S135-Y138 VanDerWaalsContact O-N 3.07Å; S135-Y138 PolarHBondContact OG-N 2.99Å; D136-Y138 VanDerWaalsContact C-N 3.34Å; Y138-E140 VanDerWaalsContact C-N 3.35Å; Y138-E140 PolarHBondContact O-N 2.82Å; Y138-Y141 AromaticContact CD2-CD1 3.62Å; Y138-Y141 HydrophobicContact CD2-CD1 3.62Å; Y138-Y141 HydrophobicContact CD2-CE1 4.14Å; Y138-Y141 AromaticContact CE2-CD1 3.79Å; Y138-Y141 HydrophobicContact CE2-CD1 3.79Å; Y138-Y141 AromaticContact CE2-CE1 3.85Å; Y138-Y141 HydrophobicContact CE2-CE1 3.85Å; Y138-Y141 WeakPolarHBondContact O-CB 3.36Å; Y138-Y141 PolarHBondContact O-N 2.65Å; Y138-Y141 VanDerWaalsContact O-N 3.14Å; Y138-R142 HydrophobicContact CD1-CG 4.42Å; Y138-R142 HydrophobicContact CD2-CG 4.37Å; Y138-R142 HydrophobicContact CE1-CG 4.15Å; Y138-R142 HydrophobicContact CE2-CG 4.06Å; Y138-R142 WeakPolarHBondContact O-CG 3.24Å; Y138-R142 PolarHBondContact O-N 3.14Å
139	F	87.9	Confident	84.9	Confident	4 Å²	4	16.7 Å²	16.7	2%	0.018	9%	0.085	C	C	.	.	H	α-helix	trans	-62	-41.5	176.8	-49.1	-33.2	0	0	0	111.8	S135 D136 R142 L143 W435 M436 E439 R440 V443	S135-F139 WeakPolarHBondContact O-CD2 3.48Å; S135-F139 WeakPolarHBondContact O-CG 3.48Å; S135-F139 PolarHBondContact O-N 3.26Å; S135-F139 VanDerWaalsContact O-N 3.12Å; D136-F139 PolarHBondContact O-N 3.44Å; F139-R142 PolarHBondContact O-N 2.98Å; F139-L143 PolarHBondContact O-N 3.25Å; F139-L143 VanDerWaalsContact O-N 3.15Å; F139-W435 HydrophobicContact CB-CZ3 4.47Å; F139-W435 WeakPolarHBondContact O-CZ3 3.43Å; F139-M436 HydrophobicContact CB-CE 3.7Å; F139-M436 HydrophobicContact CB-SD 3.8Å; F139-E439 HydrophobicContact CB-CB 4.1Å; F139-E439 HydrophobicContact CB-CG 4.37Å; F139-E439 HydrophobicContact CD1-CB 3.7Å; F139-E439 HydrophobicContact CD1-CG 4.25Å; F139-E439 HydrophobicContact CD2-CB 4.11Å; F139-E439 HydrophobicContact CE1-CB 4.16Å; F139-E439 HydrophobicContact CG-CB 3.69Å; F139-E439 HydrophobicContact CG-CG 4.36Å; F139-R440 HydrophobicContact CD2-CG 3.99Å; F139-R440 HydrophobicContact CE2-CB 4.39Å; F139-R440 HydrophobicContact CE2-CG 3.67Å; F139-V443 HydrophobicContact CE1-CG2 4.03Å; F139-V443 HydrophobicContact CZ-CB 4.23Å; F139-V443 HydrophobicContact CZ-CG1 4.43Å; F139-V443 HydrophobicContact CZ-CG2 3.87Å
140	E	86.4	Confident	84.3	Confident	9 Å²	9	16.8 Å²	16.8	4%	0.042	9%	0.086	C	C	.	.	H	α-helix	trans	-61.3	-43.2	171.8	-78.3	-161.8	-179.4	0	0	112	Y31 D136 Y138 L143 A144 K420 W432 M436 R674	Y31-E140 HydrophobicContact CD1-CB 4.39Å; Y31-E140 HydrophobicContact CE1-CB 3.73Å; Y31-E140 VanDerWaalsContact CE1-OE2 3.26Å; Y31-E140 WeakPolarHBondContact CE1-OE2 3.45Å; Y31-E140 PolarHBondContact OH-OE2 2.65Å; D136-E140 WeakPolarHBondContact O-CB 3.31Å; D136-E140 WeakPolarHBondContact O-CG 3.38Å; D136-E140 PolarHBondContact O-N 2.88Å; Y138-E140 VanDerWaalsContact C-N 3.35Å; Y138-E140 PolarHBondContact O-N 2.82Å; E140-L143 PolarHBondContact O-N 3.4Å; E140-A144 VanDerWaalsContact O-CB 3.27Å; E140-A144 WeakPolarHBondContact O-CB 3.32Å; E140-A144 PolarHBondContact O-N 3.34Å; E140-K420 IonicContact OE1-NZ 2.97Å; E140-K420 PolarHBondContact OE1-NZ 3.5Å; E140-K420 IonicContact OE2-NZ 3.45Å; E140-K420 PolarHBondContact OE2-NZ 3.24Å; E140-W432 HydrophobicContact CG-CZ2 4.2Å; E140-M436 HydrophobicContact CG-CE 3.74Å; E140-M436 HydrophobicContact CG-SD 4.37Å; E140-R674 IonicContact OE1-NH2 3.76Å; E140-R674 PolarHBondContact OE1-NH2 3.08Å
141	Y	87.7	Confident	83.4	Confident	7 Å²	7	20.2 Å²	20.2	3%	0.027	9%	0.092	C	C	.	.	H	α-helix	trans	-57.4	-49.5	174	152.9	-99.9	0	0	0	111.9	P11 I13 D25 F27 L28 Y31 C137 Y138 L143 A144 K145	P11-Y141 HydrophobicContact CG-CE1 4.06Å; I13-Y141 HydrophobicContact CD1-CE1 3.85Å; D25-Y141 WeakPolarHBondContact OD2-CE2 3.49Å; D25-Y141 PolarHBondContact OD2-OH 2.89Å; D25-Y141 VanDerWaalsContact OD2-OH 3.12Å; F27-Y141 HydrophobicContact CB-CD2 4.06Å; F27-Y141 HydrophobicContact CB-CE2 4.2Å; L28-Y141 HydrophobicContact CB-CD2 4.22Å; L28-Y141 HydrophobicContact CB-CE2 3.77Å; L28-Y141 HydrophobicContact CD1-CD1 4.39Å; L28-Y141 HydrophobicContact CD1-CE1 4.26Å; L28-Y141 HydrophobicContact CD1-CE2 4.4Å; Y31-Y141 HydrophobicContact CD2-CD2 4.49Å; C137-Y141 WeakPolarHBondContact O-CB 3.24Å; C137-Y141 PolarHBondContact O-N 2.92Å; C137-Y141 VanDerWaalsContact O-N 3.09Å; Y138-Y141 AromaticContact CD2-CD1 3.62Å; Y138-Y141 HydrophobicContact CD2-CD1 3.62Å; Y138-Y141 HydrophobicContact CD2-CE1 4.14Å; Y138-Y141 AromaticContact CE2-CD1 3.79Å; Y138-Y141 HydrophobicContact CE2-CD1 3.79Å; Y138-Y141 AromaticContact CE2-CE1 3.85Å; Y138-Y141 HydrophobicContact CE2-CE1 3.85Å; Y138-Y141 WeakPolarHBondContact O-CB 3.36Å; Y138-Y141 PolarHBondContact O-N 2.65Å; Y138-Y141 VanDerWaalsContact O-N 3.14Å; Y141-L143 VanDerWaalsContact C-N 3.27Å; Y141-L143 PolarHBondContact O-N 3.46Å; Y141-A144 PolarHBondContact O-N 2.94Å; Y141-K145 HydrophobicContact CE2-CD 4.41Å; Y141-K145 WeakPolarHBondContact O-CB 3.39Å; Y141-K145 PolarHBondContact O-N 3.35Å
142	R	85.8	Confident	82.4	Confident	33 Å²	33	23 Å²	23	13%	0.125	10%	0.1	C	C	.	.	H	α-helix	trans	-55.6	-44.4	179.5	-68.1	-174.1	99.2	-180	6.1	111.1	P10 P11 Y138 F139 L146 W435 E439	P10-R142 HydrophobicContact CB-CB 4.18Å; P10-R142 PolarHBondContact O-NH2 2.64Å; P11-R142 HydrophobicContact CG-CB 4.34Å; P11-R142 HydrophobicContact CG-CG 4.33Å; P11-R142 PolarHBondContact O-NE 2.89Å; P11-R142 PolarHBondContact O-NH2 2.81Å; P11-R142 VanDerWaalsContact O-NH2 3.15Å; Y138-R142 HydrophobicContact CD1-CG 4.42Å; Y138-R142 HydrophobicContact CD2-CG 4.37Å; Y138-R142 HydrophobicContact CE1-CG 4.15Å; Y138-R142 HydrophobicContact CE2-CG 4.06Å; Y138-R142 WeakPolarHBondContact O-CG 3.24Å; Y138-R142 PolarHBondContact O-N 3.14Å; F139-R142 PolarHBondContact O-N 2.98Å; R142-L146 WeakPolarHBondContact O-CG 3.39Å; R142-L146 PolarHBondContact O-N 3.02Å; R142-W435 HydrophobicContact CB-CH2 3.88Å; R142-E439 WeakPolarHBondContact CD-OE2 3.07Å; R142-E439 IonicContact CZ-OE2 3.91Å; R142-E439 IonicContact NE-OE2 3.74Å; R142-E439 IonicContact NH1-OE1 2.75Å; R142-E439 IonicContact NH1-OE2 3.41Å; R142-E439 PolarHBondContact NH1-OE2 3.34Å
143	L	85.2	Confident	81.2	Confident	2 Å²	2	24 Å²	24	1%	0.01	11%	0.108	C	C	.	.	H	α-helix	trans	-75.1	-35.6	179.2	-169.9	55.8	0	0	0	113.2	F139 E140 Y141 K145 L146 V147 W432 W435 L499	F139-L143 PolarHBondContact O-N 3.25Å; F139-L143 VanDerWaalsContact O-N 3.15Å; E140-L143 PolarHBondContact O-N 3.4Å; Y141-L143 VanDerWaalsContact C-N 3.27Å; Y141-L143 PolarHBondContact O-N 3.46Å; L143-K145 VanDerWaalsContact C-N 3.33Å; L143-L146 HydrophobicContact CD1-CD1 4.33Å; L143-L146 PolarHBondContact O-N 3.05Å; L143-V147 HydrophobicContact CD1-CG2 4.43Å; L143-V147 WeakPolarHBondContact O-CB 3.43Å; L143-V147 WeakPolarHBondContact O-CG2 3.45Å; L143-V147 PolarHBondContact O-N 2.92Å; L143-W432 HydrophobicContact CD2-CG 4.39Å; L143-W435 HydrophobicContact CB-CE3 4.07Å; L143-W435 HydrophobicContact CB-CH2 3.93Å; L143-W435 HydrophobicContact CB-CZ2 4.47Å; L143-W435 HydrophobicContact CB-CZ3 3.7Å; L143-W435 HydrophobicContact CD1-CD2 4.1Å; L143-W435 HydrophobicContact CD1-CE3 4.34Å; L143-W435 HydrophobicContact CD1-CZ2 4.36Å; L143-W435 HydrophobicContact CD2-CD2 4.1Å; L143-W435 HydrophobicContact CD2-CE3 3.75Å; L143-W435 HydrophobicContact CD2-CZ3 4.24Å; L143-W435 HydrophobicContact CG-CE3 4.28Å; L143-W435 HydrophobicContact CG-CZ3 4.4Å; L143-L499 HydrophobicContact CD1-CD1 3.52Å
144	A	85.1	Confident	79.6	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-60.9	-43.6	173.1	0	0	0	0	0	110.9	F27 Y31 E140 Y141 V147 S148 F416	F27-A144 HydrophobicContact CD1-CB 4.23Å; F27-A144 HydrophobicContact CE1-CB 4.23Å; Y31-A144 HydrophobicContact CE2-CB 3.92Å; E140-A144 VanDerWaalsContact O-CB 3.27Å; E140-A144 WeakPolarHBondContact O-CB 3.32Å; E140-A144 PolarHBondContact O-N 3.34Å; Y141-A144 PolarHBondContact O-N 2.94Å; A144-V147 PolarHBondContact O-N 3.17Å; A144-S148 WeakPolarHBondContact O-CB 3.46Å; A144-S148 PolarHBondContact O-N 2.75Å; A144-F416 HydrophobicContact CB-CD1 3.81Å; A144-F416 HydrophobicContact CB-CD2 4.07Å; A144-F416 HydrophobicContact CB-CE1 3.75Å; A144-F416 HydrophobicContact CB-CE2 4.05Å; A144-F416 HydrophobicContact CB-CG 3.96Å; A144-F416 HydrophobicContact CB-CZ 3.88Å
145	K	83.9	Confident	78	Confident	63 Å²	63	33.3 Å²	33.3	27%	0.274	16%	0.157	S	C	.	.	H	α-helix	trans	-61.3	-46.6	175.8	-162.1	80.1	-173.5	-156.1	0	111.7	P11 D25 Y141 L143 S148	P11-K145 HydrophobicContact CG-CB 3.96Å; P11-K145 HydrophobicContact CG-CG 4.14Å; D25-K145 IonicContact OD1-NZ 3.36Å; D25-K145 PolarHBondContact OD1-NZ 3.48Å; D25-K145 WeakPolarHBondContact OD2-CD 3.49Å; D25-K145 WeakPolarHBondContact OD2-CE 3.49Å; D25-K145 IonicContact OD2-NZ 2.78Å; D25-K145 PolarHBondContact OD2-NZ 2.84Å; Y141-K145 HydrophobicContact CE2-CD 4.41Å; Y141-K145 WeakPolarHBondContact O-CB 3.39Å; Y141-K145 PolarHBondContact O-N 3.35Å; L143-K145 VanDerWaalsContact C-N 3.33Å; K145-S148 PolarHBondContact O-N 3.04Å; K145-S148 PolarHBondContact O-OG 3.12Å
146	L	82.1	Confident	76.5	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-57.8	-46.9	173.9	-75.2	167.4	0	0	0	112.4	T7 P10 R142 L143 S148 Q149 W435 L499 L503	T7-L146 WeakPolarHBondContact O-CD2 3.35Å; P10-L146 HydrophobicContact CB-CD1 3.83Å; R142-L146 WeakPolarHBondContact O-CG 3.39Å; R142-L146 PolarHBondContact O-N 3.02Å; L143-L146 HydrophobicContact CD1-CD1 4.33Å; L143-L146 PolarHBondContact O-N 3.05Å; L146-S148 VanDerWaalsContact C-N 3.34Å; L146-S148 PolarHBondContact O-N 3.38Å; L146-Q149 WeakPolarHBondContact O-CB 3.35Å; L146-Q149 WeakPolarHBondContact O-CG 3.25Å; L146-Q149 PolarHBondContact O-N 2.69Å; L146-W435 HydrophobicContact CD1-CZ2 4.02Å; L146-L499 HydrophobicContact CD1-CD1 4.11Å; L146-L499 HydrophobicContact CD1-CD2 3.7Å; L146-L499 HydrophobicContact CD2-CD2 4.18Å; L146-L499 HydrophobicContact CG-CD2 4.43Å; L146-L503 WeakPolarHBondContact O-CD2 3.39Å
147	V	81.9	Confident	75.1	Confident	1 Å²	1	35.4 Å²	35.4	1%	0.006	17%	0.173	C	C	.	.	H	α-helix	trans	-68.2	-32.2	178.9	170.9	0	0	0	0	111.9	L143 A144 Q149 V150 I410 F416 F419 L503 A507	L143-V147 HydrophobicContact CD1-CG2 4.43Å; L143-V147 WeakPolarHBondContact O-CB 3.43Å; L143-V147 WeakPolarHBondContact O-CG2 3.45Å; L143-V147 PolarHBondContact O-N 2.92Å; A144-V147 PolarHBondContact O-N 3.17Å; V147-Q149 PolarHBondContact O-N 2.68Å; V147-Q149 VanDerWaalsContact O-N 3.17Å; V147-V150 WeakPolarHBondContact O-CB 3.47Å; V147-V150 PolarHBondContact O-N 3.02Å; V147-V150 VanDerWaalsContact O-N 3.13Å; V147-I410 HydrophobicContact CG1-CB 4.32Å; V147-I410 HydrophobicContact CG1-CD1 3.54Å; V147-I410 HydrophobicContact CG1-CG2 4.18Å; V147-F416 HydrophobicContact CB-CD2 4.37Å; V147-F416 HydrophobicContact CB-CE2 4.02Å; V147-F416 HydrophobicContact CG1-CD2 4.2Å; V147-F416 HydrophobicContact CG1-CE2 4.17Å; V147-F416 HydrophobicContact CG2-CE2 4.15Å; V147-F419 HydrophobicContact CG1-CD1 4.22Å; V147-F419 HydrophobicContact CG1-CE1 4.17Å; V147-F419 HydrophobicContact CG2-CE1 4.28Å; V147-L503 HydrophobicContact CB-CD2 4.47Å; V147-L503 HydrophobicContact CG2-CD2 3.97Å; V147-A507 HydrophobicContact CG1-CB 4.35Å
148	S	79.7	Confident	73.1	Confident	22 Å²	22	41.7 Å²	41.7	15%	0.154	21%	0.206	C	C	.	.	H	α-helix	trans	-64.2	-17	177.1	80.8	0	0	0	0	114.3	A144 K145 L146 V150 I410	A144-S148 WeakPolarHBondContact O-CB 3.46Å; A144-S148 PolarHBondContact O-N 2.75Å; K145-S148 PolarHBondContact O-N 3.04Å; K145-S148 PolarHBondContact O-OG 3.12Å; L146-S148 VanDerWaalsContact C-N 3.34Å; L146-S148 PolarHBondContact O-N 3.38Å; S148-V150 PolarHBondContact O-N 3.46Å; S148-I410 WeakPolarHBondContact CA-O 3.31Å; S148-I410 VanDerWaalsContact CB-O 3.27Å; S148-I410 WeakPolarHBondContact CB-O 3.01Å
149	Q	77	Confident	71.5	Confident	49 Å²	49	44.4 Å²	44.4	23%	0.229	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-21.8	174.5	-55.6	-175.8	11.6	0	0	112.6	L6 T7 L146 V147 R151	L6-Q149 VanDerWaalsContact CA-OE1 3.31Å; L6-Q149 HydrophobicContact CD2-CB 3.65Å; T7-Q149 PolarHBondContact OG1-NE2 3.09Å; L146-Q149 WeakPolarHBondContact O-CB 3.35Å; L146-Q149 WeakPolarHBondContact O-CG 3.25Å; L146-Q149 PolarHBondContact O-N 2.69Å; V147-Q149 PolarHBondContact O-N 2.68Å; V147-Q149 VanDerWaalsContact O-N 3.17Å; Q149-R151 PolarHBondContact O-N 3.36Å
150	V	73.4	Confident	69.5	Low	3 Å²	3	47.7 Å²	47.7	2%	0.018	24%	0.239	C	C	.	.			trans	-80.1	105.8	-177.1	-176.2	0	0	0	0	110.8	V147 S148 M157 L503 A507	V147-V150 WeakPolarHBondContact O-CB 3.47Å; V147-V150 PolarHBondContact O-N 3.02Å; V147-V150 VanDerWaalsContact O-N 3.13Å; S148-V150 PolarHBondContact O-N 3.46Å; V150-M157 HydrophobicContact CG1-CE 3.96Å; V150-M157 HydrophobicContact CG1-SD 3.55Å; V150-M157 VanDerWaalsContact CG1-SD 3.55Å; V150-L503 HydrophobicContact CG2-CD2 4.15Å; V150-A507 HydrophobicContact CB-CB 4.09Å; V150-A507 HydrophobicContact CG1-CB 3.98Å; V150-A507 HydrophobicContact CG2-CB 3.89Å
151	R	67	Low	67.8	Low	125 Å²	125	49.6 Å²	49.6	47%	0.472	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	124.1	177.7	-59.9	-171.1	163.7	-152.7	-25.9	111.3	Q149 M157 D409	Q149-R151 PolarHBondContact O-N 3.36Å; R151-M157 WeakPolarHBondContact O-CG 3.36Å; R151-D409 WeakPolarHBondContact CD-OD2 3.5Å; R151-D409 HydrophobicContact CG-CB 4.42Å; R151-D409 WeakPolarHBondContact CG-OD1 3.08Å; R151-D409 IonicContact CZ-OD2 2.7Å; R151-D409 IonicContact NE-OD1 3.62Å; R151-D409 IonicContact NE-OD2 3.82Å; R151-D409 PolarHBondContact NE-OD2 3.13Å; R151-D409 IonicContact NH1-OD2 2.7Å; R151-D409 IonicContact NH2-OD2 3.66Å; R151-D409 PolarHBondContact NH2-OD2 3Å
152	W	63.3	Low	65.6	Low	68 Å²	68	52.3 Å²	52.3	26%	0.258	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	130.5	178.9	-173.9	-88.5	0	0	0	112.2	M157 T407 Y408 P508 C511 V512	W152-M157 HydrophobicContact CE3-CB 3.97Å; W152-M157 HydrophobicContact CE3-CG 4.24Å; W152-M157 HydrophobicContact CE3-SD 3.82Å; W152-M157 HydrophobicContact CZ3-CB 3.91Å; W152-M157 HydrophobicContact CZ3-SD 4.25Å; W152-T407 CarbonylContact O-C 3.58Å; W152-T407 WeakPolarHBondContact O-CA 3.45Å; W152-T407 VanDerWaalsContact O-CB 3.32Å; W152-T407 WeakPolarHBondContact O-CB 3.3Å; W152-Y408 PolarHBondContact N-O 2.72Å; W152-Y408 PolarHBondContact O-N 2.97Å; W152-P508 HydrophobicContact CE3-CB 4.34Å; W152-P508 HydrophobicContact CZ3-CB 4.24Å; W152-C511 HydrophobicContact CB-CB 3.55Å; W152-C511 HydrophobicContact CG-CB 4.15Å; W152-V512 HydrophobicContact CD2-CG2 3.79Å; W152-V512 HydrophobicContact CE3-CG2 3.84Å; W152-V512 HydrophobicContact CH2-CG2 3.54Å; W152-V512 HydrophobicContact CZ2-CG2 3.48Å; W152-V512 VanDerWaalsContact CZ2-CG2 3.48Å; W152-V512 HydrophobicContact CZ3-CG2 3.71Å
153	S	61.7	Low	63.8	Low	23 Å²	23	56.5 Å²	56.5	16%	0.161	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-115.8	164	178.4	84.8	0	0	0	0	112.6	S155 G156	S153-S155 PolarHBondContact O-N 2.78Å; S153-S155 PolarHBondContact OG-N 2.73Å; S153-S155 PolarHBondContact OG-OG 3.15Å; S153-G156 WeakPolarHBondContact CB-O 3.26Å; S153-G156 PolarHBondContact N-O 3Å; S153-G156 VanDerWaalsContact N-O 3.11Å; S153-G156 PolarHBondContact O-N 3.23Å; S153-G156 VanDerWaalsContact O-N 3.09Å; S153-G156 PolarHBondContact OG-N 3.15Å; S153-G156 PolarHBondContact OG-O 3.29Å
154	K	52.8	Low	61.8	Low	173 Å²	173	62.4 Å²	62.4	75%	0.752	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-20.9	173.1	-72.5	-169.7	177.1	-175.8	0	113.9
155	S	50.4	Low	59.9	Low	90 Å²	90	63.1 Å²	63.1	63%	0.629	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	9.5	177.4	36.8	0	0	0	0	113.6	S153	S153-S155 PolarHBondContact O-N 2.78Å; S153-S155 PolarHBondContact OG-N 2.73Å; S153-S155 PolarHBondContact OG-OG 3.15Å
156	G	56	Low	57.6	Low	21 Å²	21	64.4 Å²	64.4	22%	0.216	35%	0.35	C	S	.	.	B	Isolated β-bridge	trans	99.7	-156.6	-174.3	0	0	0	0	0	112.7	S153	S153-G156 WeakPolarHBondContact CB-O 3.26Å; S153-G156 PolarHBondContact N-O 3Å; S153-G156 VanDerWaalsContact N-O 3.11Å; S153-G156 PolarHBondContact O-N 3.23Å; S153-G156 VanDerWaalsContact O-N 3.09Å; S153-G156 PolarHBondContact OG-N 3.15Å; S153-G156 PolarHBondContact OG-O 3.29Å
157	M	55.6	Low	55.4	Low	37 Å²	37	69.1 Å²	69.1	18%	0.182	38%	0.381	C	S	.	.			trans	-119.4	103.9	-173.9	-152.3	163.3	84	0	0	110.7	V150 R151 W152 F159 P508	V150-M157 HydrophobicContact CG1-CE 3.96Å; V150-M157 HydrophobicContact CG1-SD 3.55Å; V150-M157 VanDerWaalsContact CG1-SD 3.55Å; R151-M157 WeakPolarHBondContact O-CG 3.36Å; W152-M157 HydrophobicContact CE3-CB 3.97Å; W152-M157 HydrophobicContact CE3-CG 4.24Å; W152-M157 HydrophobicContact CE3-SD 3.82Å; W152-M157 HydrophobicContact CZ3-CB 3.91Å; W152-M157 HydrophobicContact CZ3-SD 4.25Å; M157-F159 HydrophobicContact CB-CD1 4.21Å; M157-F159 HydrophobicContact CB-CE1 4.29Å; M157-F159 HydrophobicContact CE-CD1 3.72Å; M157-F159 HydrophobicContact CE-CE1 3.42Å; M157-F159 VanDerWaalsContact CE-CE1 3.42Å; M157-F159 HydrophobicContact CE-CZ 4.23Å; M157-F159 HydrophobicContact CG-CD1 3.95Å; M157-F159 HydrophobicContact CG-CE1 4.3Å; M157-F159 WeakPolarHBondContact O-CD1 3.4Å; M157-F159 PolarHBondContact O-N 3.45Å; M157-P508 HydrophobicContact CE-CB 3.8Å; M157-P508 HydrophobicContact CE-CG 3.95Å; M157-P508 HydrophobicContact SD-CB 3.82Å
158	N	44.9	Very low	53.4	Low	132 Å²	132	77.5 Å²	77.5	71%	0.706	41%	0.412	S	S	*	.			trans	-94.9	91.6	-176.1	-66.9	2.5	0	0	0	109.9
159	F	54.4	Low	51.3	Low	71 Å²	71	83.1 Å²	83.1	31%	0.311	44%	0.439	S	S	.	.			trans	-124.9	128.1	174.3	60.6	-81.4	0	0	0	110.8	L6 M157 V161 L504	L6-F159 HydrophobicContact CD1-CB 4.02Å; L6-F159 HydrophobicContact CD1-CD2 3.51Å; L6-F159 HydrophobicContact CD1-CE2 4.12Å; L6-F159 HydrophobicContact CD1-CG 3.85Å; L6-F159 HydrophobicContact CG-CB 4.09Å; L6-F159 HydrophobicContact CG-CD2 4.33Å; L6-F159 HydrophobicContact CG-CG 4.46Å; M157-F159 HydrophobicContact CB-CD1 4.21Å; M157-F159 HydrophobicContact CB-CE1 4.29Å; M157-F159 HydrophobicContact CE-CD1 3.72Å; M157-F159 HydrophobicContact CE-CE1 3.42Å; M157-F159 VanDerWaalsContact CE-CE1 3.42Å; M157-F159 HydrophobicContact CE-CZ 4.23Å; M157-F159 HydrophobicContact CG-CD1 3.95Å; M157-F159 HydrophobicContact CG-CE1 4.3Å; M157-F159 WeakPolarHBondContact O-CD1 3.4Å; M157-F159 PolarHBondContact O-N 3.45Å; F159-V161 HydrophobicContact CD2-CB 4.39Å; F159-V161 HydrophobicContact CD2-CG1 4.03Å; F159-V161 HydrophobicContact CD2-CG2 3.98Å; F159-V161 HydrophobicContact CE2-CG1 4.04Å; F159-V161 HydrophobicContact CE2-CG2 3.87Å; F159-V161 PolarHBondContact O-N 3.34Å; F159-L504 HydrophobicContact CE2-CD2 3.6Å; F159-L504 HydrophobicContact CZ-CD2 3.86Å
160	T	45.9	Very low	49.3	Very low	72 Å²	72	87.1 Å²	87.1	44%	0.442	47%	0.467	S	S	.	.			trans	-82.9	107.4	160.6	51.2	0	0	0	0	107.5	V3	V3-T160 HydrophobicContact CG1-CG2 4.23Å
161	V	50.5	Low	47.4	Very low	50 Å²	50	95.8 Å²	95.8	30%	0.303	50%	0.504	S	S	.	.	B	Isolated β-bridge	trans	-69.1	150.1	168.6	-115.3	0	0	0	0	110.2	F159 F165	F159-V161 HydrophobicContact CD2-CB 4.39Å; F159-V161 HydrophobicContact CD2-CG1 4.03Å; F159-V161 HydrophobicContact CD2-CG2 3.98Å; F159-V161 HydrophobicContact CE2-CG1 4.04Å; F159-V161 HydrophobicContact CE2-CG2 3.87Å; F159-V161 PolarHBondContact O-N 3.34Å; V161-F165 HydrophobicContact CB-CB 3.71Å; V161-F165 HydrophobicContact CB-CD2 4.42Å; V161-F165 HydrophobicContact CB-CG 4.15Å; V161-F165 HydrophobicContact CG1-CB 3.47Å; V161-F165 VanDerWaalsContact CG1-CB 3.47Å; V161-F165 HydrophobicContact CG1-CD1 3.7Å; V161-F165 HydrophobicContact CG1-CD2 3.89Å; V161-F165 HydrophobicContact CG1-CE1 4.3Å; V161-F165 HydrophobicContact CG1-CE2 4.46Å; V161-F165 HydrophobicContact CG1-CG 3.47Å; V161-F165 VanDerWaalsContact CG1-CG 3.47Å; V161-F165 HydrophobicContact CG2-CB 4.47Å
162	E	42.1	Very low	45.6	Very low	63 Å²	63	98.6 Å²	98.6	29%	0.294	52%	0.52	S	S	.	.			trans	-64.5	157.5	172.7	-65.1	172.4	138.8	0	0	110.9	L6 A8 N164 F165	L6-E162 WeakPolarHBondContact O-CG 3.41Å; A8-E162 PolarHBondContact N-OE2 3.41Å; E162-N164 PolarHBondContact O-N 3.17Å; E162-F165 HydrophobicContact CB-CD2 4.04Å; E162-F165 HydrophobicContact CB-CE2 4.29Å; E162-F165 PolarHBondContact O-N 3.4Å
163	S	46.8	Very low	44.4	Very low	121 Å²	121	100.5 Å²	100.5	85%	0.846	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-17.2	-177.8	48.6	0	0	0	0	115.1	F165	S163-F165 VanDerWaalsContact C-N 3.35Å
164	N	44.1	Very low	43.1	Very low	126 Å²	126	105.7 Å²	105.7	67%	0.674	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	-0.2	-176.4	-51.9	-6.6	0	0	0	112.3	E162 K500	E162-N164 PolarHBondContact O-N 3.17Å; N164-K500 PolarHBondContact O-NZ 3.11Å
165	F	44.1	Very low	42.3	Very low	16 Å²	16	102.4 Å²	102.4	7%	0.07	57%	0.573	C	S	.	*			trans	-108.8	93.3	175.6	-71.5	-105.1	0	0	0	111	A8 V161 E162 S163 K500 L504	A8-F165 HydrophobicContact CB-CE2 3.85Å; A8-F165 HydrophobicContact CB-CZ 3.84Å; V161-F165 HydrophobicContact CB-CB 3.71Å; V161-F165 HydrophobicContact CB-CD2 4.42Å; V161-F165 HydrophobicContact CB-CG 4.15Å; V161-F165 HydrophobicContact CG1-CB 3.47Å; V161-F165 VanDerWaalsContact CG1-CB 3.47Å; V161-F165 HydrophobicContact CG1-CD1 3.7Å; V161-F165 HydrophobicContact CG1-CD2 3.89Å; V161-F165 HydrophobicContact CG1-CE1 4.3Å; V161-F165 HydrophobicContact CG1-CE2 4.46Å; V161-F165 HydrophobicContact CG1-CG 3.47Å; V161-F165 VanDerWaalsContact CG1-CG 3.47Å; V161-F165 HydrophobicContact CG2-CB 4.47Å; E162-F165 HydrophobicContact CB-CD2 4.04Å; E162-F165 HydrophobicContact CB-CE2 4.29Å; E162-F165 PolarHBondContact O-N 3.4Å; S163-F165 VanDerWaalsContact C-N 3.35Å; F165-K500 HydrophobicContact CD1-CD 4Å; F165-K500 HydrophobicContact CD1-CG 3.64Å; F165-K500 HydrophobicContact CE1-CD 4.3Å; F165-K500 HydrophobicContact CE1-CG 3.55Å; F165-L504 HydrophobicContact CD1-CD1 4.3Å
166	S	35.8	Very low	41.8	Very low	90 Å²	90	105.6 Å²	105.6	63%	0.629	58%	0.582	S	S	*	*			trans	-67.5	128.4	158.8	41.6	0	0	0	0	109.9
167	P	36.1	Very low	40.8	Very low	99 Å²	99	110.2 Å²	110.2	64%	0.643	61%	0.608	S	S	*	*			trans	-67.4	157.7	174.1	27.9	-33.9	0	0	0	110.9	I169	P167-I169 PolarHBondContact O-N 3.46Å
168	W	40.8	Very low	39.9	Very low	177 Å²	177	112 Å²	112	67%	0.67	62%	0.623	S	S	*	*	S	Bend	trans	-71.5	36.4	-170.4	-98.6	60	0	0	0	115.9
169	I	33.9	Very low	39.7	Very low	139 Å²	139	110 Å²	110	71%	0.713	62%	0.617	S	S	*	*			trans	-110.9	79	166.6	-52.7	179.7	0	0	0	107.9	P167 K171	P167-I169 PolarHBondContact O-N 3.46Å; I169-K171 VanDerWaalsContact C-N 3.32Å; I169-K171 PolarHBondContact O-N 3.1Å
170	V	35.3	Very low	39.3	Very low	134 Å²	134	111.1 Å²	111.1	81%	0.812	64%	0.639	S	S	*	*			trans	-62.3	103.3	153.3	176.9	0	0	0	0	105.6	K172	V170-K172 PolarHBondContact O-N 3.18Å
171	K	34.4	Very low	39.5	Very low	184 Å²	184	113 Å²	113	80%	0.8	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-54.2	118.2	165.6	-71.6	-177.4	177.1	-179.3	0	106.2	I169	I169-K171 VanDerWaalsContact C-N 3.32Å; I169-K171 PolarHBondContact O-N 3.1Å
172	K	29.5	Very low	39.4	Very low	184 Å²	184	115.6 Å²	115.6	80%	0.8	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-50.3	134.4	167.9	-97.8	-172.6	171.9	-174.4	0	107.3	V170	V170-K172 PolarHBondContact O-N 3.18Å
173	P	37.7	Very low	40.1	Very low	108 Å²	108	119 Å²	119	70%	0.701	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-55.5	139.4	163.4	26.6	-33.2	0	0	0	107.4	S175	P173-S175 PolarHBondContact O-N 3.42Å
174	P	33.3	Very low	40.9	Very low	133 Å²	133	117.9 Å²	117.9	86%	0.864	66%	0.66	S	S	*	*			trans	-60.3	114.9	-176.7	24.4	-33.1	0	0	0	109.1
175	S	36.8	Very low	42.3	Very low	103 Å²	103	114.2 Å²	114.2	72%	0.72	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-65.4	145.4	169.9	47.8	0	0	0	0	109.3	P173	P173-S175 PolarHBondContact O-N 3.42Å
176	L	40.4	Very low	43.4	Very low	158 Å²	158	117.7 Å²	117.7	83%	0.827	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-51.9	146.3	169.1	-69.9	164.6	0	0	0	110.3
177	P	35	Very low	45	Very low	118 Å²	118	117.4 Å²	117.4	77%	0.766	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-62.1	134.1	-178.7	25.4	-33.8	0	0	0	111
178	P	37.2	Very low	46.9	Very low	75 Å²	75	113.1 Å²	113.1	49%	0.487	63%	0.625	S	S	.	*	P	Polyproline II helix	trans	-69.8	163.6	172.6	31.4	-35.1	0	0	0	111.1
179	P	39.3	Very low	48.3	Very low	90 Å²	90	106.8 Å²	106.8	58%	0.584	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-62	145.2	174.9	26.8	-34.8	0	0	0	111.9	T181 E182	P179-T181 PolarHBondContact O-N 3.4Å; P179-E182 PolarHBondContact O-N 2.9Å
180	A	46.5	Very low	50.1	Low	93 Å²	93	107.5 Å²	107.5	77%	0.769	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	4.3	-166.3	0	0	0	0	0	116.6
181	T	49.6	Very low	51.8	Low	112 Å²	112	107.2 Å²	107.2	69%	0.687	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	-14.7	178.7	41.5	0	0	0	0	114.2	P179	P179-T181 PolarHBondContact O-N 3.4Å
182	E	49.3	Very low	53.4	Low	104 Å²	104	102.6 Å²	102.6	49%	0.486	57%	0.569	S	S	.	*	S	Bend	trans	-86.1	-28.2	-176.9	-63.7	-168.5	158.8	0	0	114	P179 D184 N185 L186	P179-E182 PolarHBondContact O-N 2.9Å; E182-D184 PolarHBondContact O-N 3.42Å; E182-N185 PolarHBondContact O-N 3.48Å; E182-L186 WeakPolarHBondContact O-CG 3.15Å; E182-L186 PolarHBondContact O-N 2.79Å
183	E	57.3	Low	55	Low	134 Å²	134	104.2 Å²	104.2	63%	0.626	57%	0.572	S	S	*	*	H	α-helix	trans	-62.9	-42.7	-174.3	-64.2	-159.2	120.3	0	0	112.6	N185 L186 V187	E183-N185 VanDerWaalsContact C-N 3.3Å; E183-N185 PolarHBondContact O-N 3.22Å; E183-L186 PolarHBondContact O-N 3.46Å; E183-L186 VanDerWaalsContact O-N 3.16Å; E183-V187 WeakPolarHBondContact O-CB 3.08Å; E183-V187 WeakPolarHBondContact O-CG2 3.46Å; E183-V187 PolarHBondContact O-N 2.9Å
184	D	63	Low	56.3	Low	98 Å²	98	101.6 Å²	101.6	52%	0.524	55%	0.554	S	S	.	*	H	α-helix	trans	-49.9	-48.9	177.6	-125.7	34.7	0	0	0	112.2	E182 V187 I188 K212	E182-D184 PolarHBondContact O-N 3.42Å; D184-V187 PolarHBondContact O-N 3.2Å; D184-I188 WeakPolarHBondContact O-CD1 3.25Å; D184-I188 WeakPolarHBondContact O-CG1 3.46Å; D184-I188 PolarHBondContact O-N 3.1Å; D184-K212 IonicContact OD2-NZ 2.59Å; D184-K212 PolarHBondContact OD2-NZ 2.91Å
185	N	72.1	Confident	57.8	Low	50 Å²	50	100.6 Å²	100.6	27%	0.267	55%	0.55	S	S	.	*	H	α-helix	trans	-74.6	-36	-176.3	-66	-10.2	0	0	0	110.9	E182 E183 I188 M189 F208 K212	E182-N185 PolarHBondContact O-N 3.48Å; E183-N185 VanDerWaalsContact C-N 3.3Å; E183-N185 PolarHBondContact O-N 3.22Å; N185-I188 PolarHBondContact O-N 3.36Å; N185-M189 PolarHBondContact O-N 3.15Å; N185-F208 HydrophobicContact CB-CD1 4.07Å; N185-F208 HydrophobicContact CB-CD2 4.44Å; N185-F208 HydrophobicContact CB-CE1 3.7Å; N185-F208 HydrophobicContact CB-CE2 4.09Å; N185-F208 HydrophobicContact CB-CG 4.44Å; N185-F208 HydrophobicContact CB-CZ 3.71Å; N185-F208 VanDerWaalsContact O-CE1 3.22Å; N185-F208 WeakPolarHBondContact O-CE1 3.49Å; N185-K212 VanDerWaalsContact OD1-CE 3.24Å; N185-K212 WeakPolarHBondContact OD1-CE 3.29Å; N185-K212 PolarHBondContact OD1-NZ 2.9Å; N185-K212 VanDerWaalsContact OD1-NZ 3.1Å
186	L	68.3	Low	59	Low	88 Å²	88	98.1 Å²	98.1	46%	0.461	53%	0.529	S	S	.	.	H	α-helix	trans	-67.9	-34.9	173.3	-70.1	169.7	0	0	0	112.6	E182 E183 M189 K190	E182-L186 WeakPolarHBondContact O-CG 3.15Å; E182-L186 PolarHBondContact O-N 2.79Å; E183-L186 PolarHBondContact O-N 3.46Å; E183-L186 VanDerWaalsContact O-N 3.16Å; L186-M189 HydrophobicContact CD2-SD 4.4Å; L186-K190 WeakPolarHBondContact O-CG 3.43Å; L186-K190 PolarHBondContact O-N 3.48Å; L186-K190 VanDerWaalsContact O-N 3.1Å
187	V	69.4	Low	60.3	Low	85 Å²	85	93.9 Å²	93.9	52%	0.515	52%	0.523	S	S	.	.	H	α-helix	trans	-65.3	-42.6	172.2	167.6	0	0	0	0	110.2	E183 D184 K190 K191	E183-V187 WeakPolarHBondContact O-CB 3.08Å; E183-V187 WeakPolarHBondContact O-CG2 3.46Å; E183-V187 PolarHBondContact O-N 2.9Å; D184-V187 PolarHBondContact O-N 3.2Å; V187-K190 PolarHBondContact O-N 2.96Å; V187-K191 WeakPolarHBondContact O-CB 3.43Å; V187-K191 PolarHBondContact O-N 2.93Å
188	I	75	Confident	61.1	Low	9 Å²	9	98.3 Å²	98.3	5%	0.046	53%	0.533	C	S	.	.	H	α-helix	trans	-63.7	-46.1	176.7	-69.3	164.9	0	0	0	111.7	D184 N185 K190 K191 F192 W207 F208 A211 K212	D184-I188 WeakPolarHBondContact O-CD1 3.25Å; D184-I188 WeakPolarHBondContact O-CG1 3.46Å; D184-I188 PolarHBondContact O-N 3.1Å; N185-I188 PolarHBondContact O-N 3.36Å; I188-K190 VanDerWaalsContact C-N 3.33Å; I188-K190 PolarHBondContact O-N 3.12Å; I188-K191 PolarHBondContact O-N 3.14Å; I188-F192 HydrophobicContact CG2-CD2 3.83Å; I188-F192 HydrophobicContact CG2-CE2 4.06Å; I188-F192 WeakPolarHBondContact O-CD2 3.45Å; I188-F192 PolarHBondContact O-N 3.3Å; I188-W207 HydrophobicContact CG2-CH2 4.44Å; I188-W207 HydrophobicContact CG2-CZ3 4.21Å; I188-F208 HydrophobicContact CB-CD1 4.37Å; I188-F208 HydrophobicContact CB-CE1 4.24Å; I188-F208 HydrophobicContact CG2-CD1 3.99Å; I188-F208 HydrophobicContact CG2-CE1 4.09Å; I188-A211 HydrophobicContact CG2-CB 3.7Å; I188-K212 HydrophobicContact CD1-CD 4Å; I188-K212 HydrophobicContact CD1-CG 3.42Å; I188-K212 VanDerWaalsContact CD1-CG 3.42Å
189	M	71.8	Confident	62.2	Low	44 Å²	44	96.7 Å²	96.7	22%	0.217	53%	0.526	C	S	.	.	H	α-helix	trans	-55.2	-46.2	173.6	-83.1	177.4	153.7	0	0	112.3	N185 L186 Y193 V194 L196 F208	N185-M189 PolarHBondContact O-N 3.15Å; L186-M189 HydrophobicContact CD2-SD 4.4Å; M189-Y193 WeakPolarHBondContact O-CA 3.14Å; M189-Y193 PolarHBondContact O-N 2.75Å; M189-V194 PolarHBondContact O-N 2.75Å; M189-L196 HydrophobicContact CE-CB 3.79Å; M189-L196 HydrophobicContact CE-CD1 3.71Å; M189-L196 HydrophobicContact CE-CG 3.6Å; M189-F208 HydrophobicContact CE-CE2 4.39Å; M189-F208 HydrophobicContact CE-CZ 3.83Å; M189-F208 HydrophobicContact CG-CE1 3.96Å; M189-F208 HydrophobicContact CG-CZ 3.74Å; M189-F208 HydrophobicContact SD-CZ 3.99Å
190	K	71.8	Confident	63.6	Low	154 Å²	154	95 Å²	95	67%	0.67	52%	0.516	S	S	*	.	H	α-helix	trans	-65.5	-42.1	177.1	-72.9	170.7	-177.7	171.9	0	112.2	L186 V187 I188 F192 Y193	L186-K190 WeakPolarHBondContact O-CG 3.43Å; L186-K190 PolarHBondContact O-N 3.48Å; L186-K190 VanDerWaalsContact O-N 3.1Å; V187-K190 PolarHBondContact O-N 2.96Å; I188-K190 VanDerWaalsContact C-N 3.33Å; I188-K190 PolarHBondContact O-N 3.12Å; K190-F192 VanDerWaalsContact C-N 3.35Å; K190-F192 PolarHBondContact O-N 3.24Å; K190-Y193 PolarHBondContact O-N 2.64Å
191	K	69.7	Low	64.7	Low	127 Å²	127	99.6 Å²	99.6	55%	0.552	52%	0.515	S	S	*	.	H	α-helix	trans	-67.5	-31.4	-177.2	-171.7	172.1	179	177.6	0	113	V187 I188	V187-K191 WeakPolarHBondContact O-CB 3.43Å; V187-K191 PolarHBondContact O-N 2.93Å; I188-K191 PolarHBondContact O-N 3.14Å
192	F	69.1	Low	65.8	Low	88 Å²	88	96.9 Å²	96.9	39%	0.386	50%	0.504	S	S	.	.	H	α-helix	trans	-99.7	-1	173.4	-68.2	-67.3	0	0	0	114.3	I188 K190 V194 W207 A211 Q215	I188-F192 HydrophobicContact CG2-CD2 3.83Å; I188-F192 HydrophobicContact CG2-CE2 4.06Å; I188-F192 WeakPolarHBondContact O-CD2 3.45Å; I188-F192 PolarHBondContact O-N 3.3Å; K190-F192 VanDerWaalsContact C-N 3.35Å; K190-F192 PolarHBondContact O-N 3.24Å; F192-V194 VanDerWaalsContact C-N 3.32Å; F192-V194 HydrophobicContact CB-CG2 4.22Å; F192-V194 PolarHBondContact O-N 3.12Å; F192-W207 HydrophobicContact CB-CH2 4.46Å; F192-W207 HydrophobicContact CD2-CH2 4.5Å; F192-A211 HydrophobicContact CD2-CB 4.35Å; F192-A211 HydrophobicContact CE2-CB 4Å; F192-Q215 HydrophobicContact CE2-CG 4.45Å; F192-Q215 HydrophobicContact CZ-CG 4.24Å
193	Y	62.4	Low	66.8	Low	217 Å²	217	97.8 Å²	97.8	85%	0.851	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	39	-176.5	-61.6	-89.3	0	0	0	114.8	M189 K190	M189-Y193 WeakPolarHBondContact O-CA 3.14Å; M189-Y193 PolarHBondContact O-N 2.75Å; K190-Y193 PolarHBondContact O-N 2.64Å
194	V	64.3	Low	67.7	Low	53 Å²	53	92.9 Å²	92.9	32%	0.321	49%	0.488	S	S	.	.			trans	-108.3	130.5	-178.6	177	0	0	0	0	111.7	M189 F192 L196 W207	M189-V194 PolarHBondContact O-N 2.75Å; F192-V194 VanDerWaalsContact C-N 3.32Å; F192-V194 HydrophobicContact CB-CG2 4.22Å; F192-V194 PolarHBondContact O-N 3.12Å; V194-L196 HydrophobicContact CG1-CD2 4.04Å; V194-W207 HydrophobicContact CB-CH2 3.9Å; V194-W207 HydrophobicContact CB-CZ2 3.95Å; V194-W207 HydrophobicContact CG1-CH2 4.14Å; V194-W207 HydrophobicContact CG1-CZ2 3.97Å; V194-W207 HydrophobicContact CG2-CH2 4.16Å; V194-W207 HydrophobicContact CG2-CZ2 3.82Å
195	S	66.4	Low	68.4	Low	113 Å²	113	94.5 Å²	94.5	79%	0.79	49%	0.49	S	S	*	.			trans	-104	116.6	164.5	57.8	0	0	0	0	109.9
196	L	61.3	Low	68.7	Low	51 Å²	51	96.8 Å²	96.8	27%	0.267	50%	0.503	S	S	.	.			trans	-77	126	169.8	-59.9	178.5	0	0	0	108.7	M189 V194 T204 W207 F208	M189-L196 HydrophobicContact CE-CB 3.79Å; M189-L196 HydrophobicContact CE-CD1 3.71Å; M189-L196 HydrophobicContact CE-CG 3.6Å; V194-L196 HydrophobicContact CG1-CD2 4.04Å; L196-T204 HydrophobicContact CD1-CG2 3.65Å; L196-W207 HydrophobicContact CD1-CE3 4.25Å; L196-W207 HydrophobicContact CD2-CD2 4.35Å; L196-W207 HydrophobicContact CD2-CE3 4.45Å; L196-F208 HydrophobicContact CD1-CE2 4Å; L196-F208 HydrophobicContact CD1-CZ 4.35Å
197	G	66.8	Low	69.3	Low	68 Å²	68	96.2 Å²	96.2	70%	0.701	49%	0.494	S	S	*	.			trans	-90.4	-128	177.8	0	0	0	0	0	111.5	A199	G197-A199 PolarHBondContact O-N 3.35Å
198	E	51.6	Low	70	Confident	211 Å²	211	93.1 Å²	93.1	99%	0.986	47%	0.474	S	S	*	.	S	Bend	trans	-73.8	41.1	177	-59.8	175.9	166.2	0	0	112.9
199	A	62.3	Low	70.2	Confident	41 Å²	41	95.3 Å²	95.3	34%	0.339	49%	0.494	S	S	.	.			trans	-78.1	144.7	176.3	0	0	0	0	0	110.9	G197	G197-A199 PolarHBondContact O-N 3.35Å
200	S	66.9	Low	70.5	Confident	55 Å²	55	98.5 Å²	98.5	39%	0.385	51%	0.511	S	S	.	.			trans	-69	158.5	176.4	84.4	0	0	0	0	111.5	A202 Q203 T204	S200-A202 VanDerWaalsContact C-N 3.26Å; S200-A202 PolarHBondContact O-N 3.41Å; S200-Q203 PolarHBondContact O-N 2.65Å; S200-Q203 WeakPolarHBondContact OG-CG 3.42Å; S200-Q203 PolarHBondContact OG-N 3.35Å; S200-Q203 PolarHBondContact OG-OE1 3.15Å; S200-T204 VanDerWaalsContact O-CB 3.29Å; S200-T204 WeakPolarHBondContact O-CB 3.4Å; S200-T204 PolarHBondContact O-N 2.74Å; S200-T204 PolarHBondContact O-OG1 3.33Å
201	Y	70.9	Confident	70.7	Confident	189 Å²	189	91.4 Å²	91.4	74%	0.741	48%	0.481	S	S	*	.	H	α-helix	trans	-59.7	-36.7	178.5	179.9	-111	0	0	0	112.4	K205	Y201-K205 WeakPolarHBondContact O-CB 3.3Å; Y201-K205 PolarHBondContact O-N 3.36Å
202	A	72.7	Confident	71.2	Confident	56 Å²	56	88.6 Å²	88.6	46%	0.463	47%	0.469	S	S	.	.	H	α-helix	trans	-64.7	-54.4	174.5	0	0	0	0	0	111.5	S200 T204 K205 D206	S200-A202 VanDerWaalsContact C-N 3.26Å; S200-A202 PolarHBondContact O-N 3.41Å; A202-T204 PolarHBondContact O-N 2.89Å; A202-K205 WeakPolarHBondContact O-CB 3.41Å; A202-K205 PolarHBondContact O-N 3.44Å; A202-D206 VanDerWaalsContact O-CG 3.32Å; A202-D206 PolarHBondContact O-N 3.23Å
203	Q	68.9	Low	71.2	Confident	122 Å²	122	90 Å²	90	57%	0.57	48%	0.477	S	S	*	.	H	α-helix	trans	-56.4	-39.1	178	-70.3	166.5	-17.2	0	0	112.3	S200 W207	S200-Q203 PolarHBondContact O-N 2.65Å; S200-Q203 WeakPolarHBondContact OG-CG 3.42Å; S200-Q203 PolarHBondContact OG-N 3.35Å; S200-Q203 PolarHBondContact OG-OE1 3.15Å; Q203-W207 VanDerWaalsContact O-CB 3.28Å; Q203-W207 WeakPolarHBondContact O-CB 3.45Å; Q203-W207 PolarHBondContact O-N 2.88Å
204	T	77.1	Confident	71.4	Confident	31 Å²	31	82.6 Å²	82.6	19%	0.19	46%	0.456	C	S	.	.	H	α-helix	trans	-62.2	-47.1	174.4	-66	0	0	0	0	111.6	L196 S200 A202 F208	L196-T204 HydrophobicContact CD1-CG2 3.65Å; S200-T204 VanDerWaalsContact O-CB 3.29Å; S200-T204 WeakPolarHBondContact O-CB 3.4Å; S200-T204 PolarHBondContact O-N 2.74Å; S200-T204 PolarHBondContact O-OG1 3.33Å; A202-T204 PolarHBondContact O-N 2.89Å; T204-F208 HydrophobicContact CG2-CD2 3.83Å; T204-F208 HydrophobicContact CG2-CE2 3.72Å; T204-F208 WeakPolarHBondContact O-CD2 3.47Å; T204-F208 PolarHBondContact O-N 2.73Å
205	K	77.1	Confident	71.3	Confident	133 Å²	133	83.9 Å²	83.9	58%	0.578	46%	0.459	S	S	*	.	H	α-helix	trans	-66.2	-42.2	-179.8	-169.1	-178	179.9	-170	0	112	Y201 A202 F208 A209	Y201-K205 WeakPolarHBondContact O-CB 3.3Å; Y201-K205 PolarHBondContact O-N 3.36Å; A202-K205 WeakPolarHBondContact O-CB 3.41Å; A202-K205 PolarHBondContact O-N 3.44Å; K205-F208 PolarHBondContact O-N 3.43Å; K205-A209 PolarHBondContact O-N 3.24Å
206	D	78.4	Confident	70.8	Confident	98 Å²	98	85.8 Å²	85.8	52%	0.524	46%	0.455	S	S	.	.	H	α-helix	trans	-67.8	-40.7	178.3	-61.8	-24.2	0	0	0	111.3	A202 F208 A209 L210	A202-D206 VanDerWaalsContact O-CG 3.32Å; A202-D206 PolarHBondContact O-N 3.23Å; D206-F208 VanDerWaalsContact C-N 3.35Å; D206-F208 PolarHBondContact O-N 2.91Å; D206-A209 PolarHBondContact O-N 3.02Å; D206-L210 WeakPolarHBondContact O-CG 3.26Å; D206-L210 PolarHBondContact O-N 3.44Å
207	W	81.9	Confident	70.1	Confident	76 Å²	76	88.2 Å²	88.2	29%	0.288	47%	0.472	S	S	.	.	H	α-helix	trans	-60.6	-43.5	172.7	-173.2	86.3	0	0	0	111.7	I188 F192 V194 L196 Q203 L210 A211	I188-W207 HydrophobicContact CG2-CH2 4.44Å; I188-W207 HydrophobicContact CG2-CZ3 4.21Å; F192-W207 HydrophobicContact CB-CH2 4.46Å; F192-W207 HydrophobicContact CD2-CH2 4.5Å; V194-W207 HydrophobicContact CB-CH2 3.9Å; V194-W207 HydrophobicContact CB-CZ2 3.95Å; V194-W207 HydrophobicContact CG1-CH2 4.14Å; V194-W207 HydrophobicContact CG1-CZ2 3.97Å; V194-W207 HydrophobicContact CG2-CH2 4.16Å; V194-W207 HydrophobicContact CG2-CZ2 3.82Å; L196-W207 HydrophobicContact CD1-CE3 4.25Å; L196-W207 HydrophobicContact CD2-CD2 4.35Å; L196-W207 HydrophobicContact CD2-CE3 4.45Å; Q203-W207 VanDerWaalsContact O-CB 3.28Å; Q203-W207 WeakPolarHBondContact O-CB 3.45Å; Q203-W207 PolarHBondContact O-N 2.88Å; W207-L210 PolarHBondContact O-N 2.84Å; W207-A211 HydrophobicContact CE3-CB 4.39Å; W207-A211 HydrophobicContact CH2-CB 4.32Å; W207-A211 HydrophobicContact CZ3-CB 4.24Å; W207-A211 VanDerWaalsContact O-CB 3.23Å; W207-A211 WeakPolarHBondContact O-CB 3.36Å; W207-A211 PolarHBondContact O-N 3.11Å
208	F	84.1	Confident	68.8	Low	19 Å²	19	91.2 Å²	91.2	8%	0.083	48%	0.477	C	S	.	.	H	α-helix	trans	-65.8	-35	174.4	-81.6	-58.1	0	0	0	113.2	N185 I188 M189 L196 T204 K205 D206 A211 K212	N185-F208 HydrophobicContact CB-CD1 4.07Å; N185-F208 HydrophobicContact CB-CD2 4.44Å; N185-F208 HydrophobicContact CB-CE1 3.7Å; N185-F208 HydrophobicContact CB-CE2 4.09Å; N185-F208 HydrophobicContact CB-CG 4.44Å; N185-F208 HydrophobicContact CB-CZ 3.71Å; N185-F208 VanDerWaalsContact O-CE1 3.22Å; N185-F208 WeakPolarHBondContact O-CE1 3.49Å; I188-F208 HydrophobicContact CB-CD1 4.37Å; I188-F208 HydrophobicContact CB-CE1 4.24Å; I188-F208 HydrophobicContact CG2-CD1 3.99Å; I188-F208 HydrophobicContact CG2-CE1 4.09Å; M189-F208 HydrophobicContact CE-CE2 4.39Å; M189-F208 HydrophobicContact CE-CZ 3.83Å; M189-F208 HydrophobicContact CG-CE1 3.96Å; M189-F208 HydrophobicContact CG-CZ 3.74Å; M189-F208 HydrophobicContact SD-CZ 3.99Å; L196-F208 HydrophobicContact CD1-CE2 4Å; L196-F208 HydrophobicContact CD1-CZ 4.35Å; T204-F208 HydrophobicContact CG2-CD2 3.83Å; T204-F208 HydrophobicContact CG2-CE2 3.72Å; T204-F208 WeakPolarHBondContact O-CD2 3.47Å; T204-F208 PolarHBondContact O-N 2.73Å; K205-F208 PolarHBondContact O-N 3.43Å; D206-F208 VanDerWaalsContact C-N 3.35Å; D206-F208 PolarHBondContact O-N 2.91Å; F208-A211 PolarHBondContact O-N 3.18Å; F208-K212 WeakPolarHBondContact O-CB 3.29Å; F208-K212 WeakPolarHBondContact O-CG 3.37Å; F208-K212 PolarHBondContact O-N 3.44Å
209	A	78.4	Confident	68.1	Low	56 Å²	56	85.2 Å²	85.2	46%	0.463	46%	0.458	S	S	.	.	H	α-helix	trans	-63.4	-49.3	174.7	0	0	0	0	0	111.3	K205 D206 A211 K212 Q213	K205-A209 PolarHBondContact O-N 3.24Å; D206-A209 PolarHBondContact O-N 3.02Å; A209-A211 VanDerWaalsContact C-N 3.34Å; A209-A211 PolarHBondContact O-N 2.94Å; A209-K212 PolarHBondContact O-N 3.35Å; A209-Q213 WeakPolarHBondContact O-CB 3.48Å; A209-Q213 PolarHBondContact O-N 2.93Å
210	L	77.6	Confident	66.7	Low	110 Å²	110	90 Å²	90	58%	0.576	48%	0.483	S	S	*	.	H	α-helix	trans	-61.8	-39.4	175.2	-68.4	169.8	0	0	0	112.2	D206 W207 Q213 S214	D206-L210 WeakPolarHBondContact O-CG 3.26Å; D206-L210 PolarHBondContact O-N 3.44Å; W207-L210 PolarHBondContact O-N 2.84Å; L210-Q213 PolarHBondContact O-N 3.2Å; L210-S214 PolarHBondContact O-N 3.41Å; L210-S214 PolarHBondContact O-OG 2.96Å
211	A	77.1	Confident	65	Low	6 Å²	6	96.2 Å²	96.2	5%	0.05	50%	0.504	C	S	.	.	H	α-helix	trans	-70.6	-26.2	177.1	0	0	0	0	0	113.9	I188 F192 W207 F208 A209 S214 Q215	I188-A211 HydrophobicContact CG2-CB 3.7Å; F192-A211 HydrophobicContact CD2-CB 4.35Å; F192-A211 HydrophobicContact CE2-CB 4Å; W207-A211 HydrophobicContact CE3-CB 4.39Å; W207-A211 HydrophobicContact CH2-CB 4.32Å; W207-A211 HydrophobicContact CZ3-CB 4.24Å; W207-A211 VanDerWaalsContact O-CB 3.23Å; W207-A211 WeakPolarHBondContact O-CB 3.36Å; W207-A211 PolarHBondContact O-N 3.11Å; F208-A211 PolarHBondContact O-N 3.18Å; A209-A211 VanDerWaalsContact C-N 3.34Å; A209-A211 PolarHBondContact O-N 2.94Å; A211-S214 PolarHBondContact O-OG 2.85Å; A211-Q215 PolarHBondContact O-NE2 3.49Å
212	K	79.8	Confident	63	Low	68 Å²	68	92.6 Å²	92.6	30%	0.296	51%	0.506	S	S	.	.	H	α-helix	trans	-76.5	-42.5	168.8	-73.3	-173.5	-173.5	-164	0	110.8	D184 N185 I188 F208 A209 S214 Q215 Q216	D184-K212 IonicContact OD2-NZ 2.59Å; D184-K212 PolarHBondContact OD2-NZ 2.91Å; N185-K212 VanDerWaalsContact OD1-CE 3.24Å; N185-K212 WeakPolarHBondContact OD1-CE 3.29Å; N185-K212 PolarHBondContact OD1-NZ 2.9Å; N185-K212 VanDerWaalsContact OD1-NZ 3.1Å; I188-K212 HydrophobicContact CD1-CD 4Å; I188-K212 HydrophobicContact CD1-CG 3.42Å; I188-K212 VanDerWaalsContact CD1-CG 3.42Å; F208-K212 WeakPolarHBondContact O-CB 3.29Å; F208-K212 WeakPolarHBondContact O-CG 3.37Å; F208-K212 PolarHBondContact O-N 3.44Å; A209-K212 PolarHBondContact O-N 3.35Å; K212-S214 PolarHBondContact O-N 3.39Å; K212-Q215 PolarHBondContact O-N 3.23Å; K212-Q215 VanDerWaalsContact O-N 3.13Å; K212-Q216 PolarHBondContact O-N 3.34Å
213	Q	69.6	Low	60.9	Low	118 Å²	118	97.7 Å²	97.7	55%	0.551	53%	0.525	S	S	*	.	H	α-helix	trans	-61.1	-41	177.6	-166	176.5	17.8	0	0	112.3	A209 L210 Q215 Q216 T217	A209-Q213 WeakPolarHBondContact O-CB 3.48Å; A209-Q213 PolarHBondContact O-N 2.93Å; L210-Q213 PolarHBondContact O-N 3.2Å; Q213-Q215 PolarHBondContact O-N 2.93Å; Q213-Q216 PolarHBondContact O-N 3.17Å; Q213-T217 PolarHBondContact O-N 3.45Å
214	S	65.2	Low	59.5	Low	60 Å²	60	97.5 Å²	97.5	42%	0.42	53%	0.534	S	S	.	.	H	α-helix	trans	-66.5	-14.6	177	69.8	0	0	0	0	114.6	L210 A211 K212 T217	L210-S214 PolarHBondContact O-N 3.41Å; L210-S214 PolarHBondContact O-OG 2.96Å; A211-S214 PolarHBondContact O-OG 2.85Å; K212-S214 PolarHBondContact O-N 3.39Å; S214-T217 PolarHBondContact O-OG1 2.95Å
215	Q	63.1	Low	56.9	Low	80 Å²	80	101.7 Å²	101.7	37%	0.374	56%	0.563	S	S	.	*	H	α-helix	trans	-89.8	-12.3	171.3	-66.6	-176.7	58.4	0	0	113.1	F192 A211 K212 Q213	F192-Q215 HydrophobicContact CE2-CG 4.45Å; F192-Q215 HydrophobicContact CZ-CG 4.24Å; A211-Q215 PolarHBondContact O-NE2 3.49Å; K212-Q215 PolarHBondContact O-N 3.23Å; K212-Q215 VanDerWaalsContact O-N 3.13Å; Q213-Q215 PolarHBondContact O-N 2.93Å
216	Q	55.2	Low	54.4	Low	154 Å²	154	100.9 Å²	100.9	72%	0.72	57%	0.573	S	S	*	*	H	α-helix	trans	-97.9	-16.5	177.8	-66.1	178.7	-15.4	0	0	112.7	K212 Q213 V218	K212-Q216 PolarHBondContact O-N 3.34Å; Q213-Q216 PolarHBondContact O-N 3.17Å; Q216-V218 PolarHBondContact O-N 3.14Å
217	T	47.7	Very low	51.8	Low	102 Å²	102	102.1 Å²	102.1	63%	0.626	58%	0.584	S	S	*	*			trans	-72.2	88.7	176.2	48.4	0	0	0	0	111.9	Q213 S214	Q213-T217 PolarHBondContact O-N 3.45Å; S214-T217 PolarHBondContact O-OG1 2.95Å
218	V	39.3	Very low	49.1	Very low	130 Å²	130	104.3 Å²	104.3	79%	0.788	61%	0.608	S	S	*	*			trans	-60.8	136.4	169.3	179.4	0	0	0	0	109.9	Q216 T220	Q216-V218 PolarHBondContact O-N 3.14Å; V218-T220 PolarHBondContact O-N 3.43Å; V218-T220 VanDerWaalsContact O-N 3.15Å
219	S	37.3	Very low	46.3	Very low	86 Å²	86	113.2 Å²	113.2	60%	0.601	64%	0.642	S	S	*	*			trans	-68.6	108.9	-177.8	57.8	0	0	0	0	112.4	F221	S219-F221 PolarHBondContact O-N 3.22Å; S219-F221 VanDerWaalsContact O-N 3.09Å
220	T	31.6	Very low	43.8	Very low	141 Å²	141	116.6 Å²	116.6	87%	0.865	65%	0.653	S	S	*	*			trans	-69.8	98.6	164.8	32.2	0	0	0	0	110	V218 S222	V218-T220 PolarHBondContact O-N 3.43Å; V218-T220 VanDerWaalsContact O-N 3.15Å; T220-S222 PolarHBondContact O-N 2.99Å
221	F	32	Very low	41.3	Very low	186 Å²	186	119.6 Å²	119.6	82%	0.816	66%	0.661	S	S	*	*			trans	-63.7	132.2	173.8	-86.6	-94.1	0	0	0	111.1	S219	S219-F221 PolarHBondContact O-N 3.22Å; S219-F221 VanDerWaalsContact O-N 3.09Å
222	S	28.1	Very low	38.9	Very low	112 Å²	112	127 Å²	127	78%	0.783	70%	0.699	S	S	*	*			trans	-95	145.8	178	52.2	0	0	0	0	112.4	T220	T220-S222 PolarHBondContact O-N 2.99Å
223	L	28.8	Very low	36.3	Very low	164 Å²	164	133.7 Å²	133.7	86%	0.859	73%	0.728	S	S	*	*			trans	-151	161.6	176.7	-80.1	179	0	0	0	108.9
224	P	39.6	Very low	34.1	Very low	118 Å²	118	133.4 Å²	133.4	77%	0.766	74%	0.739	S	S	*	*			cis	-128	169.4	-10.7	38.7	-24.9	0	0	0	113.8
225	C	22.4	Very low	33	Very low	119 Å²	119	135.6 Å²	135.6	80%	0.804	75%	0.752	S	S	*	*			trans	-156.5	160	142.3	-151.9	0	0	0	0	112.3
226	C	24.4	Very low	31.1	Very low	116 Å²	116	136.1 Å²	136.1	78%	0.784	77%	0.77	S	S	*	*			trans	63.7	87.8	171.5	-63.8	0	0	0	0	117.4
227	V	25	Very low	29.8	Very low	124 Å²	124	136.2 Å²	136.2	75%	0.752	77%	0.774	S	S	*	*			trans	-70.8	141.4	163.5	172.3	0	0	0	0	111	Y229	V227-Y229 HydrophobicContact CG1-CD2 4.34Å
228	P	25.3	Very low	28.6	Very low	122 Å²	122	136.2 Å²	136.2	79%	0.792	78%	0.778	S	S	*	*			trans	-110.4	143.8	134.7	-10.4	29.2	0	0	0	112.2
229	Y	24.6	Very low	27.9	Very low	205 Å²	205	134.5 Å²	134.5	80%	0.804	77%	0.772	S	S	*	*			trans	-66.7	139.9	-178.5	-87.7	-116.6	0	0	0	113	V227	V227-Y229 HydrophobicContact CG1-CD2 4.34Å
230	N	25.3	Very low	27.4	Very low	127 Å²	127	136.3 Å²	136.3	68%	0.679	78%	0.779	S	S	*	*				-175.4	147.8	98.6	-103	-73	0	0	0	115.6
231	K	26.9	Very low	27.1	Very low	173 Å²	173	133.5 Å²	133.5	75%	0.752	77%	0.765	S	S	*	*			trans	51.1	105.8	152	-66.1	178.1	-177.9	180	0	118.6
232	L	26.6	Very low	26.8	Very low	162 Å²	162	132.5 Å²	132.5	85%	0.848	76%	0.763	S	S	*	*				70.4	90.4	85.4	-83.1	164.1	0	0	0	115.3
233	K	23.8	Very low	26.7	Very low	209 Å²	209	132 Å²	132	91%	0.909	75%	0.751	S	S	*	*				-169.3	156.3	102.2	-102.4	177.9	176.2	-176.2	0	112.5
234	S	23.7	Very low	26.6	Very low	111 Å²	111	132.1 Å²	132.1	78%	0.776	75%	0.745	S	S	*	*			trans	-125.4	-168.9	174.1	55.8	0	0	0	0	108.8
235	P	42	Very low	26.1	Very low	107 Å²	107	133.1 Å²	133.1	70%	0.695	74%	0.743	S	S	*	*				-131.2	175.4	-83.6	40.5	-25.1	0	0	0	114.2
236	A	23.7	Very low	26.3	Very low	91 Å²	91	136 Å²	136	75%	0.752	74%	0.742	S	S	*	*			trans	-150.8	134.9	152.5	0	0	0	0	0	107.5
237	I	27.5	Very low	26.3	Very low	156 Å²	156	137.8 Å²	137.8	80%	0.8	74%	0.744	S	S	*	*			cis	73.1	126.1	38.4	-54.8	166.3	0	0	0	110.2
238	S	22.8	Very low	26.5	Very low	101 Å²	101	139.3 Å²	139.3	71%	0.706	75%	0.748	S	S	*	*			cis	-134.1	-166.1	6.3	69.6	0	0	0	0	110
239	S	24.4	Very low	26.6	Very low	95 Å²	95	136.4 Å²	136.4	66%	0.664	74%	0.739	S	S	*	*			cis	-166.7	148.3	-8.1	26.3	0	0	0	0	104.8
240	V	26.3	Very low	26.8	Very low	124 Å²	124	134 Å²	134	75%	0.752	75%	0.746	S	S	*	*				-173.1	112.5	75.2	155.9	0	0	0	0	104
241	S	25.9	Very low	26.9	Very low	81 Å²	81	136.4 Å²	136.4	57%	0.566	75%	0.753	S	S	*	*				62.6	98.8	73.1	71.2	0	0	0	0	114.4
242	E	25.2	Very low	28.1	Very low	166 Å²	166	132.7 Å²	132.7	78%	0.776	75%	0.746	S	S	*	*				100.8	159	100.9	-78.8	-166.2	138.6	0	0	110.9
243	N	27	Very low	27.9	Very low	100 Å²	100	135.5 Å²	135.5	54%	0.535	75%	0.745	S	S	.	*			cis	-167.6	174.6	-13.4	-99.5	-11.4	0	0	0	106.2
244	F	27	Very low	27.9	Very low	168 Å²	168	130.4 Å²	130.4	74%	0.737	73%	0.732	S	S	*	*			cis	-162.9	-170	-4.1	-117.5	-29.3	0	0	0	106.6
245	I	28.5	Very low	28	Very low	139 Å²	139	133.4 Å²	133.4	71%	0.713	73%	0.731	S	S	*	*			cis	-146.2	-170.4	-0	-125.8	-134.1	0	0	0	108.4
246	F	26.5	Very low	27.1	Very low	178 Å²	178	136.5 Å²	136.5	78%	0.781	73%	0.733	S	S	*	*			trans	-80	163	173.7	-74.6	-122.9	0	0	0	114.6
247	D	24.9	Very low	27.1	Very low	155 Å²	155	138.9 Å²	138.9	83%	0.829	73%	0.734	S	S	*	*				-164.9	116.2	123.2	-111.1	-4.5	0	0	0	105.8
248	D	27.8	Very low	27.9	Very low	156 Å²	156	136 Å²	136	83%	0.834	73%	0.725	S	S	*	*				73.3	148	62.6	-144.1	-2.9	0	0	0	113.9
249	G	29.2	Very low	28.2	Very low	60 Å²	60	140.2 Å²	140.2	62%	0.619	73%	0.731	S	S	*	*			trans	-93.6	-160.2	-150.5	0	0	0	0	0	118.1
250	V	27.7	Very low	28.5	Very low	154 Å²	154	143.7 Å²	143.7	93%	0.933	73%	0.734	S	S	*	*			trans	104.5	114	173.2	-177.9	0	0	0	0	116.9
251	H	27.1	Very low	28.4	Very low	179 Å²	179	143.5 Å²	143.5	83%	0.829	73%	0.733	S	S	*	*			trans	-67.7	171.1	163.1	-81.9	-47.9	0	0	0	112.9
252	P	52.3	Low	28.3	Very low	94 Å²	94	145.3 Å²	145.3	61%	0.61	74%	0.741	S	S	*	*			cis	-136.1	-151.4	-11	23.5	3.9	0	0	0	111.6
253	R	23.5	Very low	28.3	Very low	221 Å²	221	146 Å²	146	83%	0.834	74%	0.741	S	S	*	*			trans	82.9	148.6	155.1	-62.8	174.7	175.3	158.7	-0.8	116.2
254	T	23.7	Very low	28.4	Very low	103 Å²	103	148.4 Å²	148.4	63%	0.632	75%	0.754	S	S	*	*			cis	-163.2	154.1	-1.5	13.4	0	0	0	0	114.5
255	K	24.1	Very low	28.3	Very low	173 Å²	173	147 Å²	147	75%	0.752	75%	0.753	S	S	*	*			trans	71.9	130.3	138.8	-77.8	162.1	-174.8	173	0	122.5
256	K	24.1	Very low	28.2	Very low	172 Å²	172	145.3 Å²	145.3	75%	0.748	75%	0.753	S	S	*	*			trans	75.5	120.1	135	-71.2	-176.6	172.4	-161.1	0	118.3
257	D	23.6	Very low	28.1	Very low	142 Å²	142	143.7 Å²	143.7	76%	0.759	75%	0.748	S	S	*	*				68.8	146.7	67.4	-68.6	-39.1	0	0	0	114.1
258	P	44.8	Very low	28.1	Very low	95 Å²	95	143.6 Å²	143.6	62%	0.617	74%	0.74	S	S	*	*			cis	-143.6	178.3	-11.1	33.9	-12.5	0	0	0	116.8
259	F	27.7	Very low	28.1	Very low	189 Å²	189	143 Å²	143	83%	0.829	73%	0.732	S	S	*	*			trans	69.1	157.7	154.5	-71.9	-50.8	0	0	0	118
260	K	31.1	Very low	28	Very low	168 Å²	168	148 Å²	148	73%	0.73	74%	0.739	S	S	*	*			cis	-162.9	167.4	10.3	-134.7	173.5	-175.1	176.5	0	112.3
261	T	24.5	Very low	27.8	Very low	120 Å²	120	148.2 Å²	148.2	74%	0.736	73%	0.731	S	S	*	*			trans	64	142	149	42.8	0	0	0	0	121.3
262	T	24	Very low	27.8	Very low	119 Å²	119	148.3 Å²	148.3	73%	0.73	73%	0.731	S	S	*	*			cis	-168.3	161.3	-21.3	-9.9	0	0	0	0	112.4
263	K	25.5	Very low	26.6	Very low	180 Å²	180	146.7 Å²	146.7	78%	0.783	73%	0.731	S	S	*	*			trans	70.7	127.7	157.6	-73.4	-174.5	165.6	-175.2	0	117.8
264	L	28.2	Very low	26.8	Very low	152 Å²	152	144.5 Å²	144.5	80%	0.796	73%	0.731	S	S	*	*				78.8	142.8	54.6	-75.2	166.8	0	0	0	113.1
265	I	26.6	Very low	26.9	Very low	139 Å²	139	148 Å²	148	71%	0.713	74%	0.74	S	S	*	*			cis	-120	172.3	12.5	-36.9	165.4	0	0	0	107.8	E267	I265-E267 HydrophobicContact CG2-CG 4.17Å
266	S	25.1	Very low	27.1	Very low	102 Å²	102	147.9 Å²	147.9	71%	0.713	74%	0.742	S	S	*	*			cis	-140.3	169.7	32.4	82.3	0	0	0	0	110.4
267	E	24.9	Very low	27.3	Very low	145 Å²	145	148.2 Å²	148.2	68%	0.678	75%	0.746	S	S	*	*			cis	77.5	119.5	28.7	-65.1	-180	174.5	0	0	114	I265	I265-E267 HydrophobicContact CG2-CG 4.17Å
268	F	25	Very low	27.4	Very low	152 Å²	152	150 Å²	150	67%	0.667	75%	0.75	S	S	*	*			cis	-129.8	148	-11.1	-97.2	-102.1	0	0	0	107.5
269	E	26.9	Very low	26.5	Very low	144 Å²	144	151.2 Å²	151.2	67%	0.673	76%	0.755	S	S	*	*				61.5	137	74.5	-102.7	161	-105.5	0	0	112.5
270	E	27	Very low	26.5	Very low	164 Å²	164	148.1 Å²	148.1	77%	0.766	76%	0.757	S	S	*	*			cis	-130.1	137.9	12.6	-68.7	163.7	152	0	0	109.7
271	E	25.2	Very low	26.3	Very low	160 Å²	160	146.7 Å²	146.7	75%	0.748	76%	0.762	S	S	*	*				64.3	137.8	93.5	-56.6	-176.2	169.1	0	0	115.3
272	E	25.7	Very low	26.3	Very low	181 Å²	181	146.1 Å²	146.1	85%	0.846	76%	0.763	S	S	*	*			cis	72.9	156.5	35.9	-55.4	-176.2	152.1	0	0	112.4
273	G	27.1	Very low	26.4	Very low	59 Å²	59	148.7 Å²	148.7	61%	0.608	77%	0.772	S	S	*	*			cis	-127.5	-179.8	1.1	0	0	0	0	0	113.6
274	E	28.3	Very low	26.5	Very low	176 Å²	176	148.8 Å²	148.8	82%	0.822	78%	0.775	S	S	*	*				105.3	161.9	69	-79.9	172	163.8	0	0	110.1
275	E	26.4	Very low	26.5	Very low	176 Å²	176	149.6 Å²	149.6	82%	0.822	78%	0.78	S	S	*	*			cis	-129.9	151.4	16.9	-64.5	167.7	147.3	0	0	113.5
276	E	27.7	Very low	26.6	Very low	171 Å²	171	148.9 Å²	148.9	80%	0.799	78%	0.782	S	S	*	*			trans	29.7	120.1	136.4	-56.3	-167.1	154	0	0	120.7
277	E	27.9	Very low	26.8	Very low	178 Å²	178	149.9 Å²	149.9	83%	0.832	79%	0.786	S	S	*	*				71.3	120.3	83.1	-67.5	-146.3	165.4	0	0	117
278	E	26.7	Very low	27	Very low	181 Å²	181	148.2 Å²	148.2	85%	0.846	79%	0.79	S	S	*	*				-166.5	128.2	111.9	-107	-157.7	156.5	0	0	113.6
279	V	24.4	Very low	27.5	Very low	120 Å²	120	150.8 Å²	150.8	73%	0.727	81%	0.805	S	S	*	*			trans	26.3	116.1	143.8	-172	0	0	0	0	120.5
280	S	28.5	Very low	27.5	Very low	123 Å²	123	147.9 Å²	147.9	86%	0.86	81%	0.805	S	S	*	*				-161	141.5	125.5	36.6	0	0	0	0	112.6
281	V	26.2	Very low	27.6	Very low	138 Å²	138	148.2 Å²	148.2	84%	0.836	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-95.9	136	-171	177.5	0	0	0	0	111.4
282	S	25.9	Very low	27.8	Very low	109 Å²	109	149.1 Å²	149.1	76%	0.762	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-84.5	133.1	174.3	51.2	0	0	0	0	112.4
283	L	25.6	Very low	27.9	Very low	173 Å²	173	151.3 Å²	151.3	91%	0.906	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-91.2	137.7	166.4	-80.5	167.6	0	0	0	109.9
284	Q	27.7	Very low	28.1	Very low	182 Å²	182	154 Å²	154	85%	0.85	83%	0.826	S	S	*	*			trans	-87.8	114.3	176.8	-67.7	-177.7	-9.8	0	0	110.6	T286	Q284-T286 PolarHBondContact O-N 2.9Å
285	D	27.1	Very low	28.2	Very low	168 Å²	168	156.8 Å²	156.8	90%	0.898	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-65.4	126.9	165.6	-94.8	-39	0	0	0	110.3
286	T	29.4	Very low	28.3	Very low	124 Å²	124	156 Å²	156	76%	0.761	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-91	122.8	-173.9	-55.8	0	0	0	0	110.6	Q284 S288	Q284-T286 PolarHBondContact O-N 2.9Å; T286-S288 PolarHBondContact O-N 2.87Å; T286-S288 VanDerWaalsContact O-N 3.14Å
287	P	29.3	Very low	28.3	Very low	123 Å²	123	155.1 Å²	155.1	80%	0.799	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-65.4	117.1	174.4	26.4	-32.6	0	0	0	109.9
288	S	28.1	Very low	28.3	Very low	110 Å²	110	156.3 Å²	156.3	77%	0.769	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-64.6	137.7	-167.4	52.6	0	0	0	0	113.9	T286 A290	T286-S288 PolarHBondContact O-N 2.87Å; T286-S288 VanDerWaalsContact O-N 3.14Å; S288-A290 PolarHBondContact O-N 3.01Å; S288-A290 VanDerWaalsContact O-N 3.14Å
289	Q	35.7	Very low	28.4	Very low	207 Å²	207	154.4 Å²	154.4	97%	0.967	82%	0.818	S	S	*	*			trans	-68.6	107.4	176	-70	179.6	-16.1	0	0	111.2
290	A	27.6	Very low	28.6	Very low	83 Å²	83	157.2 Å²	157.2	69%	0.686	82%	0.823	S	S	*	*			trans	-142.9	132.6	169.1	0	0	0	0	0	112.3	S288	S288-A290 PolarHBondContact O-N 3.01Å; S288-A290 VanDerWaalsContact O-N 3.14Å
291	L	28.1	Very low	28.5	Very low	170 Å²	170	158 Å²	158	89%	0.89	82%	0.817	S	S	*	*			trans	65.9	62.6	165.6	-55.8	177.2	0	0	0	118.6	R293	L291-R293 PolarHBondContact O-N 2.86Å
292	L	29.6	Very low	29.2	Very low	180 Å²	180	158 Å²	158	94%	0.942	82%	0.817	S	S	*	*			trans	-84.1	92.6	145.4	-92.5	174.4	0	0	0	110.5
293	R	27.8	Very low	29.7	Very low	226 Å²	226	155.4 Å²	155.4	85%	0.853	81%	0.809	S	S	*	*			trans	-147.9	115.1	156.1	-100.9	-162.1	177.6	-166.6	-0.7	113	L291	L291-R293 PolarHBondContact O-N 2.86Å
294	V	33	Very low	30.5	Very low	117 Å²	117	155.7 Å²	155.7	71%	0.709	81%	0.805	S	S	*	*			trans	54	83.6	150.7	-162.7	0	0	0	0	116.3
295	Y	28.6	Very low	31.2	Very low	234 Å²	234	150.9 Å²	150.9	92%	0.918	79%	0.792	S	S	*	*				-88.2	149.9	125.9	-97.2	-99.7	0	0	0	108.6	E297	Y295-E297 PolarHBondContact O-N 3.29Å
296	L	30.1	Very low	32.4	Very low	160 Å²	160	147.5 Å²	147.5	84%	0.838	77%	0.773	S	S	*	*			trans	-68.6	112.9	-178.9	-77.4	157.8	0	0	0	110.4	K298	L296-K298 PolarHBondContact O-N 3.23Å
297	E	26.3	Very low	33.6	Very low	151 Å²	151	144.4 Å²	144.4	71%	0.706	75%	0.754	S	S	*	*			trans	-57.8	103.1	155.9	-77.4	-168.5	134.4	0	0	108.1	Y295 K299	Y295-E297 PolarHBondContact O-N 3.29Å; E297-K299 HydrophobicContact CB-CG 4.06Å; E297-K299 PolarHBondContact O-N 3.1Å; E297-K299 WeakPolarHBondContact OE2-CE 3.28Å; E297-K299 IonicContact OE2-NZ 2.68Å
298	K	28.8	Very low	35.2	Very low	203 Å²	203	141.7 Å²	141.7	88%	0.883	73%	0.731	S	S	*	*			trans	-76.4	78.1	158.6	-167.8	-178.2	-176.5	-174.1	0	106.9	L296 Q300	L296-K298 PolarHBondContact O-N 3.23Å; K298-Q300 PolarHBondContact O-N 2.65Å; K298-Q300 VanDerWaalsContact O-N 3.09Å
299	K	27.5	Very low	36.9	Very low	142 Å²	142	142.2 Å²	142.2	62%	0.617	72%	0.722	S	S	*	*			trans	-51.1	120.1	177.6	-72.6	-165.2	175.3	-171.7	0	109	E297 D301	E297-K299 HydrophobicContact CB-CG 4.06Å; E297-K299 PolarHBondContact O-N 3.1Å; E297-K299 WeakPolarHBondContact OE2-CE 3.28Å; E297-K299 IonicContact OE2-NZ 2.68Å; K299-D301 PolarHBondContact O-N 3.28Å
300	Q	29.5	Very low	38.4	Very low	178 Å²	178	133.4 Å²	133.4	83%	0.832	68%	0.68	S	S	*	*			trans	-86.9	93.9	165.9	-176.8	168.8	-2.5	0	0	104.9	K298 V302	K298-Q300 PolarHBondContact O-N 2.65Å; K298-Q300 VanDerWaalsContact O-N 3.09Å; Q300-V302 PolarHBondContact O-N 3.18Å
301	D	27.4	Very low	40.3	Very low	139 Å²	139	133.1 Å²	133.1	74%	0.743	67%	0.673	S	S	*	*			trans	-61.5	105.6	-178.5	-69.6	-40.2	0	0	0	109.2	K299 G303	K299-D301 PolarHBondContact O-N 3.28Å; D301-G303 PolarHBondContact O-N 3.34Å
302	V	39.1	Very low	42.2	Very low	138 Å²	138	128.1 Å²	128.1	84%	0.836	65%	0.65	S	S	*	*			trans	-79	64.2	167.4	-171.5	0	0	0	0	107.6	Q300	Q300-V302 PolarHBondContact O-N 3.18Å
303	G	37.2	Very low	44	Very low	56 Å²	56	123.2 Å²	123.2	58%	0.577	63%	0.629	S	S	*	*			trans	-73	129.4	157.6	0	0	0	0	0	107.9	D301 S305	D301-G303 PolarHBondContact O-N 3.34Å; G303-S305 PolarHBondContact O-N 2.85Å; G303-S305 VanDerWaalsContact O-N 3.12Å
304	E	43.6	Very low	46.1	Very low	178 Å²	178	120.1 Å²	120.1	83%	0.832	63%	0.625	S	S	*	*			trans	-59.8	118	175.2	-66.2	-176.9	127.4	0	0	108.7	L306	E304-L306 PolarHBondContact O-N 3.27Å
305	S	40.8	Very low	47.8	Very low	82 Å²	82	118.9 Å²	118.9	57%	0.573	61%	0.611	S	S	*	*			trans	-79	74.4	-168	60.5	0	0	0	0	111.2	G303 T307 T350	G303-S305 PolarHBondContact O-N 2.85Å; G303-S305 VanDerWaalsContact O-N 3.12Å; S305-T307 PolarHBondContact O-N 2.78Å; S305-T307 VanDerWaalsContact O-N 3.13Å; S305-T307 PolarHBondContact O-OG1 3.1Å; S305-T307 VanDerWaalsContact O-OG1 3.07Å; S305-T350 VanDerWaalsContact C-OG1 3.3Å; S305-T350 WeakPolarHBondContact CA-OG1 3.39Å; S305-T350 VanDerWaalsContact CB-OG1 3.3Å; S305-T350 WeakPolarHBondContact CB-OG1 3.33Å
306	L	52.3	Low	50.2	Low	97 Å²	97	110 Å²	110	51%	0.508	58%	0.577	S	S	.	*			trans	-55.4	121.3	178.9	-131.6	81.5	0	0	0	109.2	E304 T350	E304-L306 PolarHBondContact O-N 3.27Å; L306-T350 PolarHBondContact O-N 2.65Å; L306-T350 VanDerWaalsContact O-N 3.1Å; L306-T350 PolarHBondContact O-OG1 3.39Å
307	T	54.6	Low	52.4	Low	58 Å²	58	105.8 Å²	105.8	36%	0.356	56%	0.558	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-117.6	120.6	-177.7	-57.7	0	0	0	0	108	S305 K351 S353	S305-T307 PolarHBondContact O-N 2.78Å; S305-T307 VanDerWaalsContact O-N 3.13Å; S305-T307 PolarHBondContact O-OG1 3.1Å; S305-T307 VanDerWaalsContact O-OG1 3.07Å; T307-K351 WeakPolarHBondContact CA-O 3.39Å; T307-K351 HydrophobicContact CG2-CB 4.1Å; T307-K351 HydrophobicContact CG2-CD 4.27Å; T307-K351 HydrophobicContact CG2-CG 4.21Å; T307-S353 WeakPolarHBondContact CG2-OG 3.43Å
308	M	62.4	Low	54.8	Low	66 Å²	66	102.3 Å²	102.3	33%	0.325	55%	0.551	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107	145.5	177.6	-97.5	-171.9	171.6	0	0	111.5	F310 I344 I349 K351 V352 S353	M308-F310 HydrophobicContact CB-CE2 3.98Å; M308-I344 HydrophobicContact CE-CG1 4.33Å; M308-I344 HydrophobicContact CE-CG2 4.19Å; M308-I344 HydrophobicContact SD-CD1 4.12Å; M308-I344 HydrophobicContact SD-CG1 4.37Å; M308-I344 HydrophobicContact SD-CG2 3.62Å; M308-I349 HydrophobicContact CB-CD1 4.31Å; M308-I349 HydrophobicContact CG-CD1 4.15Å; M308-I349 HydrophobicContact SD-CD1 3.49Å; M308-I349 WeakPolarHBondContact SD-CD1 3.23Å; M308-K351 PolarHBondContact N-O 2.96Å; M308-V352 WeakPolarHBondContact O-CA 3.29Å; M308-S353 PolarHBondContact O-N 3.1Å
309	H	64.3	Low	56.8	Low	122 Å²	122	94.6 Å²	94.6	57%	0.565	52%	0.522	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.9	138.6	177.8	-70.8	-116.9	0	0	0	109.9	S353	H309-S353 WeakPolarHBondContact CA-O 3.24Å; H309-S353 PolarHBondContact CD2-OG 3.4Å; H309-S353 PolarHBondContact CE1-OG 2.76Å; H309-S353 PolarHBondContact NE2-OG 2.6Å; H309-S353 VanDerWaalsContact NE2-OG 3.17Å
310	F	68.4	Low	59.2	Low	21 Å²	21	92.9 Å²	92.9	9%	0.092	51%	0.513	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	144.2	173.2	-67.6	-98.2	0	0	0	109.4	M308 F316 I344 F346 V352 S353 F354	M308-F310 HydrophobicContact CB-CE2 3.98Å; F310-F316 HydrophobicContact CB-CB 4.12Å; F310-F316 HydrophobicContact CD1-CB 4.06Å; F310-F316 HydrophobicContact CD2-CB 4.21Å; F310-F316 AromaticContact CD2-CD2 4Å; F310-F316 HydrophobicContact CD2-CD2 4Å; F310-F316 AromaticContact CE2-CD2 3.82Å; F310-F316 HydrophobicContact CE2-CD2 3.82Å; F310-F316 HydrophobicContact CG-CB 3.87Å; F310-F316 HydrophobicContact CG-CD2 4.45Å; F310-F316 HydrophobicContact CZ-CD2 4.12Å; F310-I344 HydrophobicContact CE1-CD1 3.96Å; F310-I344 HydrophobicContact CZ-CD1 3.88Å; F310-F346 HydrophobicContact CE2-CE1 4.32Å; F310-F346 AromaticContact CZ-CE1 3.85Å; F310-F346 HydrophobicContact CZ-CE1 3.85Å; F310-F346 AromaticContact CZ-CZ 3.92Å; F310-F346 HydrophobicContact CZ-CZ 3.92Å; F310-V352 HydrophobicContact CD2-CG1 3.65Å; F310-V352 HydrophobicContact CE2-CG1 4Å; F310-S353 PolarHBondContact N-O 3.44Å; F310-F354 HydrophobicContact CB-CD1 4.25Å; F310-F354 HydrophobicContact CB-CE1 4.21Å
311	S	66.7	Low	61.5	Low	77 Å²	77	88 Å²	88	54%	0.538	50%	0.495	S	S	.	.	S	Bend	trans	-74	-33.5	-174.9	89.4	0	0	0	0	112.4	E315	S311-E315 WeakPolarHBondContact CB-OE2 3.31Å; S311-E315 PolarHBondContact N-OE2 2.94Å; S311-E315 PolarHBondContact OG-OE2 2.9Å
312	T	68	Low	63.9	Low	66 Å²	66	87.6 Å²	87.6	41%	0.405	48%	0.484	S	S	.	.	S	Bend	trans	-136.5	160.8	177.2	63.8	0	0	0	0	112.5	E314 E315 F316	T312-E314 VanDerWaalsContact C-N 3.34Å; T312-E315 PolarHBondContact N-OE2 2.98Å; T312-E315 VanDerWaalsContact OG1-CG 3.29Å; T312-E315 WeakPolarHBondContact OG1-CG 3.35Å; T312-E315 PolarHBondContact OG1-N 2.79Å; T312-E315 PolarHBondContact OG1-OE2 3.31Å; T312-F316 PolarHBondContact O-N 3.36Å
313	C	67.4	Low	65.8	Low	76 Å²	76	81.9 Å²	81.9	51%	0.514	45%	0.448	S	S	.	.	H	α-helix	trans	-69.1	-32	177.9	-155.7	0	0	0	0	112.5	F316 V317 F354	C313-F316 PolarHBondContact O-N 3.25Å; C313-V317 WeakPolarHBondContact O-CG2 3.45Å; C313-V317 PolarHBondContact O-N 2.88Å; C313-F354 HydrophobicContact CB-CE1 4.41Å
314	E	71.3	Confident	67.7	Low	161 Å²	161	83.5 Å²	83.5	75%	0.752	44%	0.442	S	S	*	.	H	α-helix	trans	-71.9	-35.8	-179.4	-61.7	-169.9	160.8	0	0	112.6	T312 V317 S318	T312-E314 VanDerWaalsContact C-N 3.34Å; E314-V317 PolarHBondContact O-N 2.77Å; E314-S318 VanDerWaalsContact O-CB 3.29Å; E314-S318 WeakPolarHBondContact O-CB 3.42Å; E314-S318 PolarHBondContact O-N 3.07Å; E314-S318 PolarHBondContact O-OG 3.29Å
315	E	69.9	Low	69.2	Low	91 Å²	91	79.6 Å²	79.6	43%	0.425	43%	0.426	S	S	.	.	H	α-helix	trans	-60.8	-48.7	170.6	-75.1	173.2	148.2	0	0	111.4	S311 T312 V317 S318 S319	S311-E315 WeakPolarHBondContact CB-OE2 3.31Å; S311-E315 PolarHBondContact N-OE2 2.94Å; S311-E315 PolarHBondContact OG-OE2 2.9Å; T312-E315 PolarHBondContact N-OE2 2.98Å; T312-E315 VanDerWaalsContact OG1-CG 3.29Å; T312-E315 WeakPolarHBondContact OG1-CG 3.35Å; T312-E315 PolarHBondContact OG1-N 2.79Å; T312-E315 PolarHBondContact OG1-OE2 3.31Å; E315-V317 PolarHBondContact O-N 2.9Å; E315-S318 PolarHBondContact O-N 2.82Å; E315-S319 PolarHBondContact O-N 3.04Å; E315-S319 PolarHBondContact O-OG 3.19Å; E315-S319 VanDerWaalsContact O-OG 3.07Å
316	F	78.4	Confident	70.6	Confident	47 Å²	47	76.7 Å²	76.7	21%	0.206	40%	0.403	C	S	.	.	H	α-helix	trans	-57.7	-48.6	176.9	165.2	-107.1	0	0	0	112	F310 T312 C313 S318 S319 Y320 F346 V352 F354	F310-F316 HydrophobicContact CB-CB 4.12Å; F310-F316 HydrophobicContact CD1-CB 4.06Å; F310-F316 HydrophobicContact CD2-CB 4.21Å; F310-F316 AromaticContact CD2-CD2 4Å; F310-F316 HydrophobicContact CD2-CD2 4Å; F310-F316 AromaticContact CE2-CD2 3.82Å; F310-F316 HydrophobicContact CE2-CD2 3.82Å; F310-F316 HydrophobicContact CG-CB 3.87Å; F310-F316 HydrophobicContact CG-CD2 4.45Å; F310-F316 HydrophobicContact CZ-CD2 4.12Å; T312-F316 PolarHBondContact O-N 3.36Å; C313-F316 PolarHBondContact O-N 3.25Å; F316-S318 VanDerWaalsContact C-N 3.32Å; F316-S318 PolarHBondContact O-N 3.27Å; F316-S319 PolarHBondContact O-N 3.43Å; F316-Y320 VanDerWaalsContact O-CB 3.32Å; F316-Y320 WeakPolarHBondContact O-CB 3.31Å; F316-Y320 PolarHBondContact O-N 2.92Å; F316-F346 HydrophobicContact CD2-CE1 4.14Å; F316-F346 HydrophobicContact CE2-CD1 4.38Å; F316-F346 AromaticContact CE2-CE1 3.85Å; F316-F346 HydrophobicContact CE2-CE1 3.85Å; F316-V352 HydrophobicContact CD2-CG1 4.04Å; F316-V352 HydrophobicContact CE2-CG1 4.2Å; F316-V352 HydrophobicContact CE2-CG2 3.97Å; F316-F354 HydrophobicContact CB-CE1 3.76Å; F316-F354 HydrophobicContact CB-CZ 4.18Å; F316-F354 HydrophobicContact CD1-CE1 4.37Å; F316-F354 AromaticContact CD1-CZ 3.91Å; F316-F354 HydrophobicContact CD1-CZ 3.91Å; F316-F354 HydrophobicContact CG-CE1 4.16Å; F316-F354 HydrophobicContact CG-CZ 4.09Å
317	V	76.9	Confident	71.3	Confident	73 Å²	73	73.4 Å²	73.4	44%	0.442	39%	0.393	S	S	.	.	H	α-helix	trans	-61.2	-42.6	178	170.4	0	0	0	0	110.8	C313 E314 E315 Y320 V321	C313-V317 WeakPolarHBondContact O-CG2 3.45Å; C313-V317 PolarHBondContact O-N 2.88Å; E314-V317 PolarHBondContact O-N 2.77Å; E315-V317 PolarHBondContact O-N 2.9Å; V317-Y320 PolarHBondContact O-N 3.46Å; V317-V321 HydrophobicContact CG1-CG2 4.27Å; V317-V321 WeakPolarHBondContact O-CB 3.5Å; V317-V321 VanDerWaalsContact O-CG2 3.26Å; V317-V321 WeakPolarHBondContact O-CG2 3.34Å; V317-V321 PolarHBondContact O-N 2.87Å
318	S	75.2	Confident	72.1	Confident	77 Å²	77	72.8 Å²	72.8	54%	0.538	39%	0.393	S	S	.	.	H	α-helix	trans	-62.7	-46.5	178.3	-59.6	0	0	0	0	112	E314 E315 F316 Y322	E314-S318 VanDerWaalsContact O-CB 3.29Å; E314-S318 WeakPolarHBondContact O-CB 3.42Å; E314-S318 PolarHBondContact O-N 3.07Å; E314-S318 PolarHBondContact O-OG 3.29Å; E315-S318 PolarHBondContact O-N 2.82Å; F316-S318 VanDerWaalsContact C-N 3.32Å; F316-S318 PolarHBondContact O-N 3.27Å; S318-Y322 WeakPolarHBondContact O-CB 3.41Å; S318-Y322 PolarHBondContact O-N 2.74Å
319	S	71.8	Confident	72.3	Confident	41 Å²	41	73.4 Å²	73.4	29%	0.287	40%	0.397	S	S	.	.	H	α-helix	trans	-63.3	-41.4	176.3	-58.7	0	0	0	0	112.4	E315 F316 Y322 F323	E315-S319 PolarHBondContact O-N 3.04Å; E315-S319 PolarHBondContact O-OG 3.19Å; E315-S319 VanDerWaalsContact O-OG 3.07Å; F316-S319 PolarHBondContact O-N 3.43Å; S319-Y322 PolarHBondContact O-N 3.32Å; S319-F323 PolarHBondContact O-N 2.58Å
320	Y	78.8	Confident	72.3	Confident	106 Å²	106	70.7 Å²	70.7	42%	0.416	39%	0.385	S	S	.	.	H	α-helix	trans	-68.6	-42.7	179.2	-172.5	-100.5	0	0	0	112.2	F316 V317 Y322 F323 I324 F346	F316-Y320 VanDerWaalsContact O-CB 3.32Å; F316-Y320 WeakPolarHBondContact O-CB 3.31Å; F316-Y320 PolarHBondContact O-N 2.92Å; V317-Y320 PolarHBondContact O-N 3.46Å; Y320-Y322 VanDerWaalsContact C-N 3.34Å; Y320-Y322 PolarHBondContact O-N 3.32Å; Y320-F323 WeakPolarHBondContact O-CB 3.35Å; Y320-F323 PolarHBondContact O-N 3.46Å; Y320-I324 HydrophobicContact CD1-CG1 4.35Å; Y320-I324 HydrophobicContact CE1-CD1 4.39Å; Y320-I324 HydrophobicContact CE1-CG1 4.02Å; Y320-I324 WeakPolarHBondContact O-CG1 3.48Å; Y320-I324 PolarHBondContact O-N 2.96Å; Y320-F346 HydrophobicContact CD2-CB 4.07Å; Y320-F346 AromaticContact CD2-CD1 3.89Å; Y320-F346 HydrophobicContact CD2-CD1 3.89Å; Y320-F346 HydrophobicContact CD2-CD2 4.13Å; Y320-F346 HydrophobicContact CD2-CE1 4.35Å; Y320-F346 AromaticContact CD2-CG 3.76Å; Y320-F346 HydrophobicContact CD2-CG 3.76Å; Y320-F346 HydrophobicContact CE2-CB 4.08Å; Y320-F346 HydrophobicContact CE2-CG 4.28Å
321	V	77.8	Confident	72.1	Confident	75 Å²	75	78.1 Å²	78.1	46%	0.455	42%	0.419	S	S	.	.	H	α-helix	trans	-62.8	-41.4	174.6	167.7	0	0	0	0	111	V317 F323 I324 L325	V317-V321 HydrophobicContact CG1-CG2 4.27Å; V317-V321 WeakPolarHBondContact O-CB 3.5Å; V317-V321 VanDerWaalsContact O-CG2 3.26Å; V317-V321 WeakPolarHBondContact O-CG2 3.34Å; V317-V321 PolarHBondContact O-N 2.87Å; V321-F323 PolarHBondContact O-N 3.18Å; V321-I324 PolarHBondContact O-N 3.1Å; V321-L325 HydrophobicContact CG1-CD1 4.08Å; V321-L325 WeakPolarHBondContact O-CB 3.3Å; V321-L325 PolarHBondContact O-N 3.29Å
322	Y	77.3	Confident	72	Confident	131 Å²	131	81.2 Å²	81.2	51%	0.514	43%	0.429	S	S	.	.	H	α-helix	trans	-62.2	-41.2	175.5	-178.5	-115.1	0	0	0	112.5	S318 S319 Y320 L325 R326	S318-Y322 WeakPolarHBondContact O-CB 3.41Å; S318-Y322 PolarHBondContact O-N 2.74Å; S319-Y322 PolarHBondContact O-N 3.32Å; Y320-Y322 VanDerWaalsContact C-N 3.34Å; Y320-Y322 PolarHBondContact O-N 3.32Å; Y322-L325 PolarHBondContact O-N 3.18Å; Y322-R326 WeakPolarHBondContact O-CB 3.17Å; Y322-R326 PolarHBondContact O-N 3.2Å
323	F	78.4	Confident	71.8	Confident	18 Å²	18	82.6 Å²	82.6	8%	0.079	44%	0.437	C	S	.	.	H	α-helix	trans	-59.6	-49.2	173.7	169.2	-99.5	0	0	0	112.5	S319 Y320 V321 L325 R326 G327 Y343 I344 N345 F346	S319-F323 PolarHBondContact O-N 2.58Å; Y320-F323 WeakPolarHBondContact O-CB 3.35Å; Y320-F323 PolarHBondContact O-N 3.46Å; V321-F323 PolarHBondContact O-N 3.18Å; F323-L325 PolarHBondContact O-N 2.86Å; F323-R326 PolarHBondContact O-N 2.95Å; F323-G327 PolarHBondContact O-N 2.65Å; F323-Y343 HydrophobicContact CD2-CE2 4.05Å; F323-Y343 AromaticContact CD2-CZ 3.91Å; F323-Y343 WeakPolarHBondContact CD2-OH 3.38Å; F323-Y343 WeakPolarHBondContact CE2-OH 3.46Å; F323-I344 WeakPolarHBondContact CD2-O 3.1Å; F323-N345 HydrophobicContact CE2-CB 4.46Å; F323-N345 WeakPolarHBondContact CE2-OD1 3.2Å; F323-F346 HydrophobicContact CB-CD2 3.63Å; F323-F346 HydrophobicContact CB-CE2 3.98Å; F323-F346 HydrophobicContact CD1-CB 4.03Å; F323-F346 AromaticContact CD1-CD2 3.96Å; F323-F346 HydrophobicContact CD1-CD2 3.96Å; F323-F346 HydrophobicContact CD1-CG 4.44Å; F323-F346 HydrophobicContact CD2-CD2 4.07Å; F323-F346 HydrophobicContact CE1-CB 3.97Å; F323-F346 HydrophobicContact CG-CB 4.42Å; F323-F346 AromaticContact CG-CD2 3.63Å; F323-F346 HydrophobicContact CG-CD2 3.63Å; F323-F346 HydrophobicContact CG-CE2 4.46Å; F323-F346 HydrophobicContact CG-CG 4.5Å; F323-F346 HydrophobicContact CZ-CB 4.3Å
324	I	78.2	Confident	71	Confident	91 Å²	91	82.1 Å²	82.1	47%	0.467	45%	0.445	S	S	.	.	H	α-helix	trans	-60.4	-45	177.3	-64.7	-67	0	0	0	111.1	Y320 V321 R326 G327 A328	Y320-I324 HydrophobicContact CD1-CG1 4.35Å; Y320-I324 HydrophobicContact CE1-CD1 4.39Å; Y320-I324 HydrophobicContact CE1-CG1 4.02Å; Y320-I324 WeakPolarHBondContact O-CG1 3.48Å; Y320-I324 PolarHBondContact O-N 2.96Å; V321-I324 PolarHBondContact O-N 3.1Å; I324-R326 PolarHBondContact O-N 3.1Å; I324-G327 PolarHBondContact O-N 2.89Å; I324-A328 PolarHBondContact O-N 2.66Å
325	L	74.4	Confident	70.2	Confident	95 Å²	95	82.2 Å²	82.2	50%	0.497	44%	0.443	S	S	.	.	H	α-helix	trans	-60.1	-44.8	176.1	-99.5	158.2	0	0	0	112.2	V321 Y322 F323 G327 A328 I329	V321-L325 HydrophobicContact CG1-CD1 4.08Å; V321-L325 WeakPolarHBondContact O-CB 3.3Å; V321-L325 PolarHBondContact O-N 3.29Å; Y322-L325 PolarHBondContact O-N 3.18Å; F323-L325 PolarHBondContact O-N 2.86Å; L325-G327 VanDerWaalsContact C-N 3.34Å; L325-G327 PolarHBondContact O-N 3.49Å; L325-A328 PolarHBondContact O-N 2.87Å; L325-I329 HydrophobicContact CD2-CD1 4.35Å; L325-I329 WeakPolarHBondContact O-CB 3.47Å; L325-I329 WeakPolarHBondContact O-CD1 3.4Å; L325-I329 VanDerWaalsContact O-CG1 3.23Å; L325-I329 WeakPolarHBondContact O-CG1 3.48Å; L325-I329 PolarHBondContact O-N 3.21Å
326	R	69.1	Low	69.2	Low	22 Å²	22	83.3 Å²	83.3	8%	0.083	46%	0.458	C	S	.	.	H	α-helix	trans	-63.4	-40.3	179	-155.6	-177.9	-151.3	-100.4	3.4	111.6	Y322 F323 I324 I329 Q330 V337 G338 Y343	Y322-R326 WeakPolarHBondContact O-CB 3.17Å; Y322-R326 PolarHBondContact O-N 3.2Å; F323-R326 PolarHBondContact O-N 2.95Å; I324-R326 PolarHBondContact O-N 3.1Å; R326-I329 PolarHBondContact O-N 3.07Å; R326-Q330 WeakPolarHBondContact O-CG 3.22Å; R326-Q330 PolarHBondContact O-N 3.1Å; R326-V337 PolarHBondContact NH1-O 3.39Å; R326-G338 PolarHBondContact NH2-O 3.33Å; R326-Y343 VanDerWaalsContact CD-CE2 3.46Å
327	G	67.3	Low	68	Low	28 Å²	28	84.6 Å²	84.6	29%	0.289	47%	0.469	S	S	.	.	H	α-helix	trans	-63.6	-44.6	174.5	0	0	0	0	0	113.1	F323 I324 L325 Q330 Q331	F323-G327 PolarHBondContact O-N 2.65Å; I324-G327 PolarHBondContact O-N 2.89Å; L325-G327 VanDerWaalsContact C-N 3.34Å; L325-G327 PolarHBondContact O-N 3.49Å; G327-Q330 PolarHBondContact O-N 3.11Å; G327-Q331 PolarHBondContact O-N 2.66Å; G327-Q331 VanDerWaalsContact O-N 3.1Å
328	A	72.1	Confident	66.7	Low	44 Å²	44	83.8 Å²	83.8	36%	0.364	48%	0.476	S	S	.	.	H	α-helix	trans	-63.2	-43.7	175.2	0	0	0	0	0	112.1	I324 L325 Q330 Q331 I332	I324-A328 PolarHBondContact O-N 2.66Å; L325-A328 PolarHBondContact O-N 2.87Å; A328-Q330 PolarHBondContact O-N 3.4Å; A328-Q331 PolarHBondContact O-N 3.39Å; A328-I332 WeakPolarHBondContact O-CG1 3.32Å; A328-I332 PolarHBondContact O-N 3.03Å
329	I	66.4	Low	65.5	Low	80 Å²	80	88.6 Å²	88.6	41%	0.41	49%	0.49	S	S	.	.	H	α-helix	trans	-63	-40.4	176.8	-69.2	164.1	0	0	0	111	L325 R326 Q331 I332 V333	L325-I329 HydrophobicContact CD2-CD1 4.35Å; L325-I329 WeakPolarHBondContact O-CB 3.47Å; L325-I329 WeakPolarHBondContact O-CD1 3.4Å; L325-I329 VanDerWaalsContact O-CG1 3.23Å; L325-I329 WeakPolarHBondContact O-CG1 3.48Å; L325-I329 PolarHBondContact O-N 3.21Å; R326-I329 PolarHBondContact O-N 3.07Å; I329-Q331 PolarHBondContact O-N 3.34Å; I329-I332 PolarHBondContact O-N 2.73Å; I329-V333 HydrophobicContact CG2-CG2 4.1Å; I329-V333 WeakPolarHBondContact O-CB 3.33Å; I329-V333 WeakPolarHBondContact O-CG2 3.19Å; I329-V333 PolarHBondContact O-N 3.48Å
330	Q	65.1	Low	64.6	Low	65 Å²	65	89.9 Å²	89.9	30%	0.304	50%	0.496	S	S	.	.	H	α-helix	trans	-62.2	-40.4	174.4	-78.2	-176.9	-8.1	0	0	112.5	R326 G327 A328 I332 G334	R326-Q330 WeakPolarHBondContact O-CG 3.22Å; R326-Q330 PolarHBondContact O-N 3.1Å; G327-Q330 PolarHBondContact O-N 3.11Å; A328-Q330 PolarHBondContact O-N 3.4Å; Q330-I332 VanDerWaalsContact C-N 3.34Å; Q330-I332 PolarHBondContact O-N 3.23Å; Q330-G334 PolarHBondContact O-N 3.09Å
331	Q	64.3	Low	63.2	Low	176 Å²	176	90.9 Å²	90.9	82%	0.822	52%	0.515	S	S	*	.	H	α-helix	trans	-66.9	-32.5	175.7	-71.9	-171.1	1.4	0	0	113.2	G327 A328 I329	G327-Q331 PolarHBondContact O-N 2.66Å; G327-Q331 VanDerWaalsContact O-N 3.1Å; A328-Q331 PolarHBondContact O-N 3.39Å; I329-Q331 PolarHBondContact O-N 3.34Å
332	I	63.9	Low	61.8	Low	143 Å²	143	94.1 Å²	94.1	73%	0.733	53%	0.53	S	S	*	.	H	α-helix	trans	-80.7	-38.7	179.9	-66.8	165.1	0	0	0	112.1	A328 I329 Q330	A328-I332 WeakPolarHBondContact O-CG1 3.32Å; A328-I332 PolarHBondContact O-N 3.03Å; I329-I332 PolarHBondContact O-N 2.73Å; Q330-I332 VanDerWaalsContact C-N 3.34Å; Q330-I332 PolarHBondContact O-N 3.23Å
333	V	63.7	Low	61	Low	95 Å²	95	90.8 Å²	90.8	58%	0.576	52%	0.517	S	S	*	.	H	α-helix	trans	-95.4	-16.5	-171.7	-178.8	0	0	0	0	113	I329 K335	I329-V333 HydrophobicContact CG2-CG2 4.1Å; I329-V333 WeakPolarHBondContact O-CB 3.33Å; I329-V333 WeakPolarHBondContact O-CG2 3.19Å; I329-V333 PolarHBondContact O-N 3.48Å; V333-K335 VanDerWaalsContact C-N 3.25Å; V333-K335 PolarHBondContact O-N 2.91Å
334	G	51.1	Low	60.4	Low	66 Å²	66	92 Å²	92	68%	0.68	52%	0.523	S	S	*	.			trans	70.2	12.8	169.3	0	0	0	0	0	115.9	Q330	Q330-G334 PolarHBondContact O-N 3.09Å
335	K	53.8	Low	59.8	Low	163 Å²	163	90.8 Å²	90.8	71%	0.709	52%	0.518	S	S	*	.	S	Bend	trans	-132.9	141	170.9	-76.4	-175.5	176.4	-179.8	0	110.5	V333 V337	V333-K335 VanDerWaalsContact C-N 3.25Å; V333-K335 PolarHBondContact O-N 2.91Å; K335-V337 PolarHBondContact O-N 3.45Å
336	P	50.2	Low	59.6	Low	114 Å²	114	87.2 Å²	87.2	74%	0.74	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-69.8	118.7	175.4	28.7	-33.1	0	0	0	110.1	G338	P336-G338 PolarHBondContact O-N 3.21Å
337	V	52.9	Low	59.4	Low	74 Å²	74	92.4 Å²	92.4	45%	0.448	53%	0.528	S	S	.	.	P	Polyproline II helix	trans	-68.2	124	167.1	-173.6	0	0	0	0	108	R326 K335	R326-V337 PolarHBondContact NH1-O 3.39Å; K335-V337 PolarHBondContact O-N 3.45Å
338	G	49.7	Very low	58.9	Low	56 Å²	56	96.4 Å²	96.4	58%	0.577	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-53.7	153.6	-173.1	0	0	0	0	0	114.2	R326 P336 T340	R326-G338 PolarHBondContact NH2-O 3.33Å; P336-G338 PolarHBondContact O-N 3.21Å; G338-T340 PolarHBondContact O-N 3.05Å
339	E	49.3	Very low	58.5	Low	178 Å²	178	95.7 Å²	95.7	83%	0.832	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-74.9	119.6	-174.9	-65.5	176.8	160.7	0	0	110.9
340	T	53.2	Low	57.9	Low	67 Å²	67	96.4 Å²	96.4	41%	0.411	54%	0.541	S	S	.	.	P	Polyproline II helix	trans	-91.3	143.4	164.7	47.4	0	0	0	0	108.3	G338 D342 Y343	G338-T340 PolarHBondContact O-N 3.05Å; T340-D342 PolarHBondContact O-N 3.16Å; T340-Y343 WeakPolarHBondContact O-CB 3.44Å; T340-Y343 PolarHBondContact O-N 2.7Å
341	P	48.2	Very low	57.6	Low	128 Å²	128	99.7 Å²	99.7	83%	0.831	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.5	-28.4	-169.8	21.7	-33.3	0	0	0	114.3	Y343	P341-Y343 PolarHBondContact O-N 3.3Å
342	D	50	Low	57.5	Low	143 Å²	143	93.4 Å²	93.4	77%	0.765	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	18.8	-177.3	-42.1	-69.3	0	0	0	114.2	T340 I344	T340-D342 PolarHBondContact O-N 3.16Å; D342-I344 PolarHBondContact O-N 2.77Å
343	Y	59.9	Low	57.5	Low	61 Å²	61	87.8 Å²	87.8	24%	0.239	50%	0.501	C	S	.	.			trans	-86.3	106.9	-176.9	179.6	-108.9	0	0	0	113.3	F323 R326 T340 P341 N345	F323-Y343 HydrophobicContact CD2-CE2 4.05Å; F323-Y343 AromaticContact CD2-CZ 3.91Å; F323-Y343 WeakPolarHBondContact CD2-OH 3.38Å; F323-Y343 WeakPolarHBondContact CE2-OH 3.46Å; R326-Y343 VanDerWaalsContact CD-CE2 3.46Å; T340-Y343 WeakPolarHBondContact O-CB 3.44Å; T340-Y343 PolarHBondContact O-N 2.7Å; P341-Y343 PolarHBondContact O-N 3.3Å; Y343-N345 HydrophobicContact CE1-CB 4.28Å
344	I	65.5	Low	57.6	Low	42 Å²	42	87.4 Å²	87.4	22%	0.215	49%	0.492	C	S	.	.			trans	-86.8	121.4	175.5	-58.3	175.8	0	0	0	110.7	M308 F310 F323 D342 F346 I349	M308-I344 HydrophobicContact CE-CG1 4.33Å; M308-I344 HydrophobicContact CE-CG2 4.19Å; M308-I344 HydrophobicContact SD-CD1 4.12Å; M308-I344 HydrophobicContact SD-CG1 4.37Å; M308-I344 HydrophobicContact SD-CG2 3.62Å; F310-I344 HydrophobicContact CE1-CD1 3.96Å; F310-I344 HydrophobicContact CZ-CD1 3.88Å; F323-I344 WeakPolarHBondContact CD2-O 3.1Å; D342-I344 PolarHBondContact O-N 2.77Å; I344-F346 HydrophobicContact CB-CD2 4.39Å; I344-F346 HydrophobicContact CB-CE2 3.83Å; I344-F346 HydrophobicContact CB-CZ 4.09Å; I344-F346 HydrophobicContact CG2-CD1 4.26Å; I344-F346 HydrophobicContact CG2-CD2 3.95Å; I344-F346 HydrophobicContact CG2-CE1 3.96Å; I344-F346 HydrophobicContact CG2-CE2 3.65Å; I344-F346 HydrophobicContact CG2-CG 4.26Å; I344-F346 HydrophobicContact CG2-CZ 3.65Å; I344-F346 WeakPolarHBondContact O-CD2 3.42Å; I344-I349 HydrophobicContact CG2-CD1 3.64Å
345	N	66.8	Low	57.4	Low	67 Å²	67	89.4 Å²	89.4	36%	0.358	49%	0.487	S	S	.	.			trans	-93.5	95.4	175	-177.8	4	0	0	0	111.5	F323 Y343 N347 N348	F323-N345 HydrophobicContact CE2-CB 4.46Å; F323-N345 WeakPolarHBondContact CE2-OD1 3.2Å; Y343-N345 HydrophobicContact CE1-CB 4.28Å; N345-N347 PolarHBondContact O-N 3.09Å; N345-N347 PolarHBondContact OD1-N 3.34Å; N345-N348 PolarHBondContact O-N 3.07Å
346	F	68.9	Low	56.7	Low	20 Å²	20	89.1 Å²	89.1	9%	0.088	49%	0.493	C	S	.	.	G	3₁₀ helix	trans	-69.3	-11.1	-174.9	-68.3	-89.5	0	0	0	115.1	F310 F316 Y320 F323 I344 N348 I349	F310-F346 HydrophobicContact CE2-CE1 4.32Å; F310-F346 AromaticContact CZ-CE1 3.85Å; F310-F346 HydrophobicContact CZ-CE1 3.85Å; F310-F346 AromaticContact CZ-CZ 3.92Å; F310-F346 HydrophobicContact CZ-CZ 3.92Å; F316-F346 HydrophobicContact CD2-CE1 4.14Å; F316-F346 HydrophobicContact CE2-CD1 4.38Å; F316-F346 AromaticContact CE2-CE1 3.85Å; F316-F346 HydrophobicContact CE2-CE1 3.85Å; Y320-F346 HydrophobicContact CD2-CB 4.07Å; Y320-F346 AromaticContact CD2-CD1 3.89Å; Y320-F346 HydrophobicContact CD2-CD1 3.89Å; Y320-F346 HydrophobicContact CD2-CD2 4.13Å; Y320-F346 HydrophobicContact CD2-CE1 4.35Å; Y320-F346 AromaticContact CD2-CG 3.76Å; Y320-F346 HydrophobicContact CD2-CG 3.76Å; Y320-F346 HydrophobicContact CE2-CB 4.08Å; Y320-F346 HydrophobicContact CE2-CG 4.28Å; F323-F346 HydrophobicContact CB-CD2 3.63Å; F323-F346 HydrophobicContact CB-CE2 3.98Å; F323-F346 HydrophobicContact CD1-CB 4.03Å; F323-F346 AromaticContact CD1-CD2 3.96Å; F323-F346 HydrophobicContact CD1-CD2 3.96Å; F323-F346 HydrophobicContact CD1-CG 4.44Å; F323-F346 HydrophobicContact CD2-CD2 4.07Å; F323-F346 HydrophobicContact CE1-CB 3.97Å; F323-F346 HydrophobicContact CG-CB 4.42Å; F323-F346 AromaticContact CG-CD2 3.63Å; F323-F346 HydrophobicContact CG-CD2 3.63Å; F323-F346 HydrophobicContact CG-CE2 4.46Å; F323-F346 HydrophobicContact CG-CG 4.5Å; F323-F346 HydrophobicContact CZ-CB 4.3Å; I344-F346 HydrophobicContact CB-CD2 4.39Å; I344-F346 HydrophobicContact CB-CE2 3.83Å; I344-F346 HydrophobicContact CB-CZ 4.09Å; I344-F346 HydrophobicContact CG2-CD1 4.26Å; I344-F346 HydrophobicContact CG2-CD2 3.95Å; I344-F346 HydrophobicContact CG2-CE1 3.96Å; I344-F346 HydrophobicContact CG2-CE2 3.65Å; I344-F346 HydrophobicContact CG2-CG 4.26Å; I344-F346 HydrophobicContact CG2-CZ 3.65Å; I344-F346 WeakPolarHBondContact O-CD2 3.42Å; F346-N348 PolarHBondContact O-N 3.43Å; F346-I349 HydrophobicContact CD1-CD1 3.89Å; F346-I349 HydrophobicContact CE1-CD1 4.31Å; F346-I349 HydrophobicContact CG-CD1 4.42Å; F346-I349 PolarHBondContact O-N 2.64Å
347	N	65.1	Low	55.8	Low	130 Å²	130	89.4 Å²	89.4	70%	0.695	50%	0.496	S	S	*	.	G	3₁₀ helix	trans	-65.7	-20.4	176.6	-70.7	-19.1	0	0	0	113.4	N345	N345-N347 PolarHBondContact O-N 3.09Å; N345-N347 PolarHBondContact OD1-N 3.34Å
348	N	56.6	Low	54.9	Low	112 Å²	112	95.2 Å²	95.2	60%	0.599	52%	0.516	S	S	*	.	G	3₁₀ helix	trans	-103.2	0.7	-177.5	-65	9.5	0	0	0	113.1	N345 F346	N345-N348 PolarHBondContact O-N 3.07Å; F346-N348 PolarHBondContact O-N 3.43Å
349	I	63.4	Low	53.8	Low	29 Å²	29	101.6 Å²	101.6	15%	0.149	53%	0.531	C	S	.	.			trans	-98.4	124.7	-175.7	-59.9	175.2	0	0	0	109	M308 I344 F346 K351 V352	M308-I349 HydrophobicContact CB-CD1 4.31Å; M308-I349 HydrophobicContact CG-CD1 4.15Å; M308-I349 HydrophobicContact SD-CD1 3.49Å; M308-I349 WeakPolarHBondContact SD-CD1 3.23Å; I344-I349 HydrophobicContact CG2-CD1 3.64Å; F346-I349 HydrophobicContact CD1-CD1 3.89Å; F346-I349 HydrophobicContact CE1-CD1 4.31Å; F346-I349 HydrophobicContact CG-CD1 4.42Å; F346-I349 PolarHBondContact O-N 2.64Å; I349-K351 VanDerWaalsContact CG2-O 3.27Å; I349-K351 WeakPolarHBondContact CG2-O 3.33Å; I349-V352 HydrophobicContact CG2-CG2 3.97Å
350	T	53.7	Low	52.8	Low	95 Å²	95	98.1 Å²	98.1	58%	0.583	53%	0.526	S	S	*	.			trans	-103.1	-18.2	-175	55.6	0	0	0	0	113.4	S305 L306	S305-T350 VanDerWaalsContact C-OG1 3.3Å; S305-T350 WeakPolarHBondContact CA-OG1 3.39Å; S305-T350 VanDerWaalsContact CB-OG1 3.3Å; S305-T350 WeakPolarHBondContact CB-OG1 3.33Å; L306-T350 PolarHBondContact O-N 2.65Å; L306-T350 VanDerWaalsContact O-N 3.1Å; L306-T350 PolarHBondContact O-OG1 3.39Å
351	K	59.8	Low	51.6	Low	135 Å²	135	103.3 Å²	103.3	59%	0.587	55%	0.55	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-149.3	146.1	178	-170	-179.9	177.4	-167.9	0	110	T307 M308 I349	T307-K351 WeakPolarHBondContact CA-O 3.39Å; T307-K351 HydrophobicContact CG2-CB 4.1Å; T307-K351 HydrophobicContact CG2-CD 4.27Å; T307-K351 HydrophobicContact CG2-CG 4.21Å; M308-K351 PolarHBondContact N-O 2.96Å; I349-K351 VanDerWaalsContact CG2-O 3.27Å; I349-K351 WeakPolarHBondContact CG2-O 3.33Å
352	V	62.6	Low	50.7	Low	44 Å²	44	108.6 Å²	108.6	27%	0.267	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-124.3	141	173.4	178.9	0	0	0	0	108.5	M308 F310 F316 I349 F354	M308-V352 WeakPolarHBondContact O-CA 3.29Å; F310-V352 HydrophobicContact CD2-CG1 3.65Å; F310-V352 HydrophobicContact CE2-CG1 4Å; F316-V352 HydrophobicContact CD2-CG1 4.04Å; F316-V352 HydrophobicContact CE2-CG1 4.2Å; F316-V352 HydrophobicContact CE2-CG2 3.97Å; I349-V352 HydrophobicContact CG2-CG2 3.97Å; V352-F354 HydrophobicContact CG1-CZ 4.24Å
353	S	62.4	Low	49.5	Very low	24 Å²	24	104.8 Å²	104.8	17%	0.168	55%	0.547	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	146.1	176.8	-3.6	0	0	0	0	110.8	T307 M308 H309 F310	T307-S353 WeakPolarHBondContact CG2-OG 3.43Å; M308-S353 PolarHBondContact O-N 3.1Å; H309-S353 WeakPolarHBondContact CA-O 3.24Å; H309-S353 PolarHBondContact CD2-OG 3.4Å; H309-S353 PolarHBondContact CE1-OG 2.76Å; H309-S353 PolarHBondContact NE2-OG 2.6Å; H309-S353 VanDerWaalsContact NE2-OG 3.17Å; F310-S353 PolarHBondContact N-O 3.44Å
354	F	67.2	Low	47.9	Very low	87 Å²	87	111 Å²	111	38%	0.382	58%	0.576	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-117.2	151.3	166.3	-51.8	-77.2	0	0	0	107.4	F310 C313 F316 V352	F310-F354 HydrophobicContact CB-CD1 4.25Å; F310-F354 HydrophobicContact CB-CE1 4.21Å; C313-F354 HydrophobicContact CB-CE1 4.41Å; F316-F354 HydrophobicContact CB-CE1 3.76Å; F316-F354 HydrophobicContact CB-CZ 4.18Å; F316-F354 HydrophobicContact CD1-CE1 4.37Å; F316-F354 AromaticContact CD1-CZ 3.91Å; F316-F354 HydrophobicContact CD1-CZ 3.91Å; F316-F354 HydrophobicContact CG-CE1 4.16Å; F316-F354 HydrophobicContact CG-CZ 4.09Å; V352-F354 HydrophobicContact CG1-CZ 4.24Å
355	D	45.9	Very low	46	Very low	109 Å²	109	115.6 Å²	115.6	58%	0.583	60%	0.601	S	S	*	*			trans	-84.6	126.7	172.3	-69.2	-23.2	0	0	0	109.7	C357	D355-C357 PolarHBondContact O-N 3.22Å
356	D	39.1	Very low	43.9	Very low	156 Å²	156	122 Å²	122	83%	0.834	63%	0.626	S	S	*	*			trans	-70.2	85.1	-178.8	-84	-45.7	0	0	0	111.3	F358	D356-F358 PolarHBondContact O-N 3.13Å
357	C	31.1	Very low	41.8	Very low	120 Å²	120	128.5 Å²	128.5	81%	0.811	66%	0.661	S	S	*	*			trans	-72.2	70.3	171.1	-76.5	0	0	0	0	112.2	D355	D355-C357 PolarHBondContact O-N 3.22Å
358	F	34.4	Very low	39.9	Very low	197 Å²	197	126.2 Å²	126.2	86%	0.864	66%	0.655	S	S	*	*			trans	-127.7	68.5	171.3	-98.9	-71.2	0	0	0	112.6	D356	D356-F358 PolarHBondContact O-N 3.13Å
359	E	27.2	Very low	38.2	Very low	189 Å²	189	129.2 Å²	129.2	88%	0.883	67%	0.665	S	S	*	*			trans	-116.7	117.6	156.9	-76.8	-144.3	129.7	0	0	112.6
360	S	28.7	Very low	36.2	Very low	105 Å²	105	135.4 Å²	135.4	73%	0.734	70%	0.698	S	S	*	*			trans	41.9	101.9	142.6	-162.9	0	0	0	0	119.9
361	I	28	Very low	34.8	Very low	177 Å²	177	135.5 Å²	135.5	91%	0.908	70%	0.698	S	S	*	*			trans	-101.5	97.3	145.5	-58.9	-180	0	0	0	108.7
362	R	29.3	Very low	33.1	Very low	238 Å²	238	137 Å²	137	90%	0.898	71%	0.707	S	S	*	*			trans	-101	110.9	163.5	172.8	177.7	-94	-144.6	-3.9	109
363	G	24.7	Very low	31.1	Very low	63 Å²	63	140.2 Å²	140.2	65%	0.649	73%	0.727	S	S	*	*			trans	-142	104.4	-177.3	0	0	0	0	0	115
364	K	26.6	Very low	29.1	Very low	193 Å²	193	144.8 Å²	144.8	84%	0.839	75%	0.754	S	S	*	*			trans	60	104	155.4	-60.4	178.8	-179.1	176.8	0	119.5
365	N	24	Very low	26.9	Very low	138 Å²	138	148.9 Å²	148.9	74%	0.738	77%	0.772	S	S	*	*				26.3	129.7	117.8	-45.6	3.8	0	0	0	118.6
366	F	22.5	Very low	25.8	Very low	201 Å²	201	150.5 Å²	150.5	88%	0.882	78%	0.776	S	S	*	*				-163	163.3	89.4	-112.1	-82.1	0	0	0	112.8
367	L	25.9	Very low	25.1	Very low	157 Å²	157	153 Å²	153	82%	0.822	77%	0.774	S	S	*	*			trans	-87	168.5	174.6	-64.5	160.4	0	0	0	109.7
368	S	24.7	Very low	24.7	Very low	82 Å²	82	152.4 Å²	152.4	57%	0.573	77%	0.77	S	S	*	*			cis	-163.3	167.5	9	-143.9	0	0	0	0	112.8
369	E	21.6	Very low	24.1	Very low	175 Å²	175	149.4 Å²	149.4	82%	0.818	76%	0.759	S	S	*	*			trans	74.9	155.5	140.2	-86.4	165.1	111.5	0	0	126.1
370	L	21.1	Very low	23.9	Very low	159 Å²	159	149 Å²	149	83%	0.832	76%	0.757	S	S	*	*			trans	95.1	129.4	155.9	-147.6	78.9	0	0	0	118.4
371	V	24	Very low	23.7	Very low	97 Å²	97	152.3 Å²	152.3	59%	0.588	77%	0.765	S	S	*	*			cis	-171	152.2	-38	105.4	0	0	0	0	110
372	Q	23.9	Very low	23.4	Very low	165 Å²	165	152 Å²	152	77%	0.771	76%	0.76	S	S	*	*			trans	62.2	168.5	164.3	-74.2	165	11.8	0	0	116
373	T	20.3	Very low	23.3	Very low	112 Å²	112	149.8 Å²	149.8	69%	0.687	76%	0.759	S	S	*	*			cis	-158.6	169.4	-6.8	10.2	0	0	0	0	112.4
374	T	20.4	Very low	23.1	Very low	120 Å²	120	153 Å²	153	74%	0.736	77%	0.766	S	S	*	*			trans	60.2	112.8	146.4	49.8	0	0	0	0	123.7
375	K	22.5	Very low	23	Very low	173 Å²	173	149.5 Å²	149.5	75%	0.752	77%	0.767	S	S	*	*				64.2	147.8	101	-130.2	-170.9	177	-153.6	0	122.3
376	E	22.4	Very low	23.1	Very low	143 Å²	143	151.4 Å²	151.4	67%	0.668	78%	0.776	S	S	*	*			trans	84.8	95.8	150.6	-89.5	157.6	-154.7	0	0	123.3
377	R	23.6	Very low	23.1	Very low	210 Å²	210	147.6 Å²	147.6	79%	0.792	77%	0.774	S	S	*	*				44.4	113.1	113.8	-172.9	-172.6	174.2	162	1.7	121.2	E379	R377-E379 IonicContact CZ-OE1 2.64Å; R377-E379 IonicContact NE-OE1 3.68Å; R377-E379 PolarHBondContact NE-OE1 2.72Å; R377-E379 IonicContact NH2-OE1 3.03Å; R377-E379 PolarHBondContact NH2-OE1 2.95Å
378	S	22.3	Very low	23	Very low	106 Å²	106	145.1 Å²	145.1	74%	0.741	77%	0.77	S	S	*	*			trans	-168.4	122.8	134.3	38.4	0	0	0	0	107.3
379	E	21.9	Very low	23.1	Very low	134 Å²	134	150.9 Å²	150.9	63%	0.626	79%	0.785	S	S	*	*				80.9	100.2	74.8	-75	166.7	-154.6	0	0	113.6	R377	R377-E379 IonicContact CZ-OE1 2.64Å; R377-E379 IonicContact NE-OE1 3.68Å; R377-E379 PolarHBondContact NE-OE1 2.72Å; R377-E379 IonicContact NH2-OE1 3.03Å; R377-E379 PolarHBondContact NH2-OE1 2.95Å
380	E	22.9	Very low	23.2	Very low	182 Å²	182	147.3 Å²	147.3	85%	0.85	78%	0.779	S	S	*	*			trans	39.3	129.2	136.9	-59.9	179.4	170.5	0	0	121.8
381	I	25.3	Very low	23.4	Very low	174 Å²	174	148 Å²	148	89%	0.892	78%	0.778	S	S	*	*				-161.3	150.8	114.7	-102.2	157	0	0	0	110.3
382	E	22.4	Very low	23.5	Very low	171 Å²	171	147.9 Å²	147.9	80%	0.799	78%	0.782	S	S	*	*			trans	-74.3	152.8	-176	-49.3	169.7	113.9	0	0	113.1
383	Q	25.5	Very low	24.1	Very low	190 Å²	190	144 Å²	144	89%	0.888	78%	0.778	S	S	*	*				-161.3	140	110.8	-108.5	165.3	44.9	0	0	113.5
384	T	22.3	Very low	24.5	Very low	130 Å²	130	140.9 Å²	140.9	80%	0.798	77%	0.767	S	S	*	*			trans	-73	147.7	-179.7	37.9	0	0	0	0	112.2
385	S	24.1	Very low	25.4	Very low	121 Å²	121	141.7 Å²	141.7	85%	0.846	78%	0.775	S	S	*	*			trans	-145.2	91.9	166.7	-78.8	0	0	0	0	109.7
386	L	24.8	Very low	25.7	Very low	178 Å²	178	142 Å²	142	93%	0.932	78%	0.779	S	S	*	*			trans	-66.3	128.5	176.5	-71.7	159.9	0	0	0	110.4
387	S	22.9	Very low	26.5	Very low	120 Å²	120	140.5 Å²	140.5	84%	0.839	78%	0.784	S	S	*	*			trans	-133.6	90.5	165	-173.7	0	0	0	0	108.9	K389	S387-K389 PolarHBondContact O-N 2.81Å
388	S	23.4	Very low	27	Very low	106 Å²	106	141.6 Å²	141.6	74%	0.741	79%	0.789	S	S	*	*			trans	-62.5	126.8	-174.7	51.9	0	0	0	0	112.7	S390	S388-S390 PolarHBondContact O-N 2.67Å
389	K	27.1	Very low	27.5	Very low	203 Å²	203	141.2 Å²	141.2	88%	0.883	79%	0.791	S	S	*	*			trans	-73.7	104.5	160.4	-71.7	-178.3	179.9	177.2	0	109.3	S387	S387-K389 PolarHBondContact O-N 2.81Å
390	S	24.2	Very low	27.8	Very low	100 Å²	100	139.1 Å²	139.1	70%	0.699	78%	0.784	S	S	*	*			trans	-93.9	98.7	170.9	58.4	0	0	0	0	110.5	S388 S392	S388-S390 PolarHBondContact O-N 2.67Å; S390-S392 VanDerWaalsContact C-N 3.33Å; S390-S392 PolarHBondContact O-N 3.31Å
391	E	25.7	Very low	28.2	Very low	174 Å²	174	142.4 Å²	142.4	81%	0.813	79%	0.789	S	S	*	*			trans	-75.3	84.6	174.8	-67	-144.9	145.1	0	0	111.7	A393	E391-A393 PolarHBondContact O-N 2.87Å
392	S	25.9	Very low	28.5	Very low	94 Å²	94	140.1 Å²	140.1	66%	0.657	79%	0.787	S	S	*	*			trans	-76.9	85.1	172	59.7	0	0	0	0	110.7	S390 G394	S390-S392 VanDerWaalsContact C-N 3.33Å; S390-S392 PolarHBondContact O-N 3.31Å; S392-G394 PolarHBondContact O-N 2.83Å
393	A	35.6	Very low	29	Very low	84 Å²	84	137.9 Å²	137.9	69%	0.694	78%	0.779	S	S	*	*			trans	-66.4	75.7	171.3	0	0	0	0	0	112.1	E391	E391-A393 PolarHBondContact O-N 2.87Å
394	G	28.9	Very low	29.6	Very low	45 Å²	45	133.3 Å²	133.3	46%	0.464	77%	0.769	S	S	.	*			trans	-135	141.6	178.2	0	0	0	0	0	111.7	S392 E396	S392-G394 PolarHBondContact O-N 2.83Å; G394-E396 VanDerWaalsContact C-N 3.31Å; G394-E396 PolarHBondContact O-N 3.18Å
395	P	40.4	Very low	30.3	Very low	138 Å²	138	133.7 Å²	133.7	90%	0.896	76%	0.761	S	S	*	*			trans	-83.8	65.4	-175.1	35	-36.5	0	0	0	112.4	S397	P395-S397 PolarHBondContact O-N 3.29Å
396	E	27.1	Very low	31.5	Very low	179 Å²	179	134.8 Å²	134.8	84%	0.836	75%	0.747	S	S	*	*			trans	-85.4	90.9	-177	-66.9	-132.8	152.4	0	0	113.8	G394 R398	G394-E396 VanDerWaalsContact C-N 3.31Å; G394-E396 PolarHBondContact O-N 3.18Å; E396-R398 VanDerWaalsContact C-N 3.26Å; E396-R398 PolarHBondContact O-N 2.88Å
397	S	40.5	Very low	33	Very low	112 Å²	112	129.6 Å²	129.6	78%	0.783	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	73	168	-176.9	0	0	0	0	112.2	P395	P395-S397 PolarHBondContact O-N 3.29Å
398	R	34.2	Very low	34.8	Very low	233 Å²	233	125.4 Å²	125.4	88%	0.879	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-157.6	-8	168.2	-125.7	170.2	176.8	84.4	1.7	120.5	E396	E396-R398 VanDerWaalsContact C-N 3.26Å; E396-R398 PolarHBondContact O-N 2.88Å
399	A	31.5	Very low	36.7	Very low	97 Å²	97	121.8 Å²	121.8	80%	0.802	66%	0.661	S	S	*	*	S	Bend	trans	-109.2	15.5	-173.3	0	0	0	0	0	115.8	W401	A399-W401 PolarHBondContact O-N 3.37Å
400	D	29.5	Very low	38.7	Very low	90 Å²	90	112.1 Å²	112.1	48%	0.481	62%	0.619	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.6	7.7	-154.7	-132.6	-16.3	0	0	0	116.6	R406	D400-R406 IonicContact OD1-CZ 2.69Å; D400-R406 IonicContact OD1-NE 3.3Å; D400-R406 IonicContact OD1-NH2 3.29Å; D400-R406 PolarHBondContact OD1-NH2 3.43Å; D400-R406 IonicContact OD2-CZ 2.7Å; D400-R406 IonicContact OD2-NH2 2.79Å; D400-R406 PolarHBondContact OD2-NH2 3.14Å
401	W	31	Very low	40.6	Very low	252 Å²	252	109.6 Å²	109.6	96%	0.955	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.8	-8.4	-169.4	-78.6	66.9	0	0	0	115.2	A399	A399-W401 PolarHBondContact O-N 3.37Å
402	C	30.8	Very low	43	Very low	125 Å²	125	104.9 Å²	104.9	85%	0.845	59%	0.589	S	S	*	*	S	Bend	trans	-118.7	24.6	-172.9	-65.5	0	0	0	0	114.9
403	I	32.8	Very low	45.4	Very low	124 Å²	124	101.4 Å²	101.4	64%	0.636	56%	0.561	S	S	*	*			trans	-115.3	91.4	165.2	-54.1	-179.3	0	0	0	109.2
404	S	38.3	Very low	47.3	Very low	95 Å²	95	103.1 Å²	103.1	66%	0.664	55%	0.553	S	S	*	*			trans	-64.1	145.5	165	49.2	0	0	0	0	109.8
405	H	38.1	Very low	49.6	Very low	137 Å²	137	103 Å²	103	63%	0.634	54%	0.54	S	S	*	.			trans	65.2	54.8	177.7	-40.4	-85.4	0	0	0	117	T407	H405-T407 PolarHBondContact O-N 2.92Å; H405-T407 VanDerWaalsContact O-N 3.13Å
406	R	47.7	Very low	51.6	Low	144 Å²	144	96.4 Å²	96.4	54%	0.543	50%	0.498	S	S	.	.			trans	-52.8	118.9	156.1	-75.6	-172.8	174.5	-166.5	-7.2	110.5	D400	D400-R406 IonicContact OD1-CZ 2.69Å; D400-R406 IonicContact OD1-NE 3.3Å; D400-R406 IonicContact OD1-NH2 3.29Å; D400-R406 PolarHBondContact OD1-NH2 3.43Å; D400-R406 IonicContact OD2-CZ 2.7Å; D400-R406 IonicContact OD2-NH2 2.79Å; D400-R406 PolarHBondContact OD2-NH2 3.14Å
407	T	56.5	Low	54.2	Low	70 Å²	70	90.5 Å²	90.5	43%	0.429	47%	0.47	S	S	.	.			trans	-83.4	160.7	159.5	58.4	0	0	0	0	110.3	W152 H405 D409	W152-T407 CarbonylContact O-C 3.58Å; W152-T407 WeakPolarHBondContact O-CA 3.45Å; W152-T407 VanDerWaalsContact O-CB 3.32Å; W152-T407 WeakPolarHBondContact O-CB 3.3Å; H405-T407 PolarHBondContact O-N 2.92Å; H405-T407 VanDerWaalsContact O-N 3.13Å; T407-D409 VanDerWaalsContact CB-OD1 3.31Å; T407-D409 WeakPolarHBondContact CB-OD1 3.09Å; T407-D409 PolarHBondContact OG1-OD1 3.3Å
408	Y	61.1	Low	56.1	Low	31 Å²	31	90.9 Å²	90.9	12%	0.122	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	119.5	162.4	-173.4	-95.7	0	0	0	108	W152 E415 F510 C511 H514	W152-Y408 PolarHBondContact N-O 2.72Å; W152-Y408 PolarHBondContact O-N 2.97Å; Y408-E415 WeakPolarHBondContact CE2-OE1 3.48Å; Y408-E415 PolarHBondContact OH-OE1 3.46Å; Y408-F510 HydrophobicContact CE1-CD1 4.35Å; Y408-F510 AromaticContact CE1-CE1 3.99Å; Y408-F510 HydrophobicContact CE1-CE1 3.99Å; Y408-C511 HydrophobicContact CD1-CB 3.82Å; Y408-H514 HydrophobicContact CE1-CB 4.15Å
409	D	63	Low	58.4	Low	30 Å²	30	79.9 Å²	79.9	16%	0.16	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	142.6	-175.9	-66.4	19.6	0	0	0	107.8	R151 T407 G411	R151-D409 WeakPolarHBondContact CD-OD2 3.5Å; R151-D409 HydrophobicContact CG-CB 4.42Å; R151-D409 WeakPolarHBondContact CG-OD1 3.08Å; R151-D409 IonicContact CZ-OD2 2.7Å; R151-D409 IonicContact NE-OD1 3.62Å; R151-D409 IonicContact NE-OD2 3.82Å; R151-D409 PolarHBondContact NE-OD2 3.13Å; R151-D409 IonicContact NH1-OD2 2.7Å; R151-D409 IonicContact NH2-OD2 3.66Å; R151-D409 PolarHBondContact NH2-OD2 3Å; T407-D409 VanDerWaalsContact CB-OD1 3.31Å; T407-D409 WeakPolarHBondContact CB-OD1 3.09Å; T407-D409 PolarHBondContact OG1-OD1 3.3Å; D409-G411 PolarHBondContact O-N 3.32Å
410	I	70.4	Confident	60.9	Low	1 Å²	1	76.6 Å²	76.6	1%	0.005	38%	0.381	C	S	.	.			trans	-83.6	54.9	170.7	-45.9	175.3	0	0	0	108.5	V147 S148 E415 F416 A507 F510	V147-I410 HydrophobicContact CG1-CB 4.32Å; V147-I410 HydrophobicContact CG1-CD1 3.54Å; V147-I410 HydrophobicContact CG1-CG2 4.18Å; S148-I410 WeakPolarHBondContact CA-O 3.31Å; S148-I410 VanDerWaalsContact CB-O 3.27Å; S148-I410 WeakPolarHBondContact CB-O 3.01Å; I410-E415 HydrophobicContact CG2-CB 4.49Å; I410-F416 HydrophobicContact CG2-CB 4.43Å; I410-A507 HydrophobicContact CD1-CB 4.08Å; I410-F510 HydrophobicContact CD1-CD1 3.75Å; I410-F510 HydrophobicContact CD1-CE1 4.24Å; I410-F510 HydrophobicContact CG1-CD1 4.04Å; I410-F510 HydrophobicContact CG1-CE1 4.13Å; I410-F510 HydrophobicContact CG2-CE1 4.48Å
411	G	64.1	Low	63.5	Low	47 Å²	47	77.3 Å²	77.3	49%	0.485	38%	0.38	S	S	.	.			trans	-91.5	-0.5	-165.5	0	0	0	0	0	115.4	F27 D409	F27-G411 WeakPolarHBondContact CE2-O 3.5Å; F27-G411 VanDerWaalsContact CZ-C 3.42Å; F27-G411 WeakPolarHBondContact CZ-O 3.34Å; D409-G411 PolarHBondContact O-N 3.32Å
412	N	75.6	Confident	66.1	Low	75 Å²	75	67.9 Å²	67.9	40%	0.401	35%	0.345	S	S	.	.	S	Bend	trans	-133.3	143	-177.9	-171.3	-77	0	0	0	111.1	K414 E415 F416	N412-K414 PolarHBondContact O-N 2.95Å; N412-K414 VanDerWaalsContact OD1-CB 3.31Å; N412-K414 WeakPolarHBondContact OD1-CB 3.49Å; N412-K414 WeakPolarHBondContact OD1-CG 3.39Å; N412-K414 PolarHBondContact OD1-N 3.32Å; N412-E415 HydrophobicContact CB-CG 4.31Å; N412-E415 WeakPolarHBondContact O-CA 3.45Å; N412-E415 WeakPolarHBondContact O-CB 3.36Å; N412-E415 PolarHBondContact O-N 3.09Å; N412-F416 PolarHBondContact O-N 3.43Å
413	R	76.1	Confident	68.7	Low	20 Å²	20	62.1 Å²	62.1	8%	0.075	31%	0.306	C	S	.	.	H	α-helix	trans	-53.3	-36.1	176.3	-177.4	-179.2	178	-167	9.3	113.6	D30 E34 E415 F416 E417	D30-R413 VanDerWaalsContact O-CZ 3.28Å; D30-R413 PolarHBondContact O-NH1 3.46Å; D30-R413 PolarHBondContact O-NH2 3.18Å; D30-R413 WeakPolarHBondContact OD1-CD 3.48Å; D30-R413 IonicContact OD1-CZ 3.53Å; D30-R413 IonicContact OD1-NH1 3.47Å; D30-R413 PolarHBondContact OD1-NH1 3.29Å; D30-R413 WeakPolarHBondContact OD2-CB 3.39Å; D30-R413 WeakPolarHBondContact OD2-CD 3.41Å; E34-R413 IonicContact OE2-CZ 3.58Å; E34-R413 IonicContact OE2-NH2 2.75Å; E34-R413 PolarHBondContact OE2-NH2 2.68Å; R413-E415 PolarHBondContact O-N 2.71Å; R413-F416 PolarHBondContact O-N 3.23Å; R413-E417 WeakPolarHBondContact O-CB 3.47Å; R413-E417 PolarHBondContact O-N 3.17Å
414	K	76.3	Confident	71	Confident	121 Å²	121	63 Å²	63	53%	0.526	31%	0.306	S	S	.	.	H	α-helix	trans	-65.8	-21.4	175.5	-63	-177.7	-178.3	-179.7	0	113	N412 R418	N412-K414 PolarHBondContact O-N 2.95Å; N412-K414 VanDerWaalsContact OD1-CB 3.31Å; N412-K414 WeakPolarHBondContact OD1-CB 3.49Å; N412-K414 WeakPolarHBondContact OD1-CG 3.39Å; N412-K414 PolarHBondContact OD1-N 3.32Å; K414-R418 WeakPolarHBondContact O-CD 3.36Å; K414-R418 VanDerWaalsContact O-CG 3.28Å; K414-R418 WeakPolarHBondContact O-CG 3.47Å; K414-R418 PolarHBondContact O-N 2.93Å
415	E	77	Confident	72.9	Confident	41 Å²	41	62 Å²	62	19%	0.192	31%	0.31	C	S	.	.	H	α-helix	trans	-92.2	-34.4	176	-58.8	-171.2	112.2	0	0	111.5	Y408 I410 N412 R413 E417 R418 F419 F510	Y408-E415 WeakPolarHBondContact CE2-OE1 3.48Å; Y408-E415 PolarHBondContact OH-OE1 3.46Å; I410-E415 HydrophobicContact CG2-CB 4.49Å; N412-E415 HydrophobicContact CB-CG 4.31Å; N412-E415 WeakPolarHBondContact O-CA 3.45Å; N412-E415 WeakPolarHBondContact O-CB 3.36Å; N412-E415 PolarHBondContact O-N 3.09Å; R413-E415 PolarHBondContact O-N 2.71Å; E415-E417 VanDerWaalsContact C-N 3.34Å; E415-R418 CarbonylContact O-C 3.58Å; E415-R418 WeakPolarHBondContact O-CA 3.31Å; E415-R418 WeakPolarHBondContact O-CB 3.48Å; E415-R418 PolarHBondContact O-N 3.47Å; E415-R418 VanDerWaalsContact O-N 3.08Å; E415-F419 PolarHBondContact O-N 2.95Å; E415-F510 WeakPolarHBondContact O-CZ 3.33Å
416	F	81.4	Confident	75.1	Confident	1 Å²	1	57.3 Å²	57.3	0%	0.004	29%	0.291	C	S	.	.	H	α-helix	trans	-62.8	-38.8	167.5	-169.6	-111	0	0	0	112.3	Y31 A144 V147 I410 N412 R413 R418 F419 K420	Y31-F416 VanDerWaalsContact OH-CD1 3.27Å; Y31-F416 WeakPolarHBondContact OH-CD1 3.29Å; Y31-F416 WeakPolarHBondContact OH-CE1 3.28Å; A144-F416 HydrophobicContact CB-CD1 3.81Å; A144-F416 HydrophobicContact CB-CD2 4.07Å; A144-F416 HydrophobicContact CB-CE1 3.75Å; A144-F416 HydrophobicContact CB-CE2 4.05Å; A144-F416 HydrophobicContact CB-CG 3.96Å; A144-F416 HydrophobicContact CB-CZ 3.88Å; V147-F416 HydrophobicContact CB-CD2 4.37Å; V147-F416 HydrophobicContact CB-CE2 4.02Å; V147-F416 HydrophobicContact CG1-CD2 4.2Å; V147-F416 HydrophobicContact CG1-CE2 4.17Å; V147-F416 HydrophobicContact CG2-CE2 4.15Å; I410-F416 HydrophobicContact CG2-CB 4.43Å; N412-F416 PolarHBondContact O-N 3.43Å; R413-F416 PolarHBondContact O-N 3.23Å; F416-R418 VanDerWaalsContact C-N 3.26Å; F416-R418 PolarHBondContact O-N 3.41Å; F416-F419 HydrophobicContact CD2-CD1 4.09Å; F416-F419 AromaticContact CE2-CD1 3.95Å; F416-F419 HydrophobicContact CE2-CD1 3.95Å; F416-F419 HydrophobicContact CE2-CE1 4.42Å; F416-F419 CarbonylContact O-C 3.55Å; F416-F419 WeakPolarHBondContact O-CA 3.27Å; F416-F419 WeakPolarHBondContact O-CB 3.08Å; F416-F419 PolarHBondContact O-N 3.49Å; F416-F419 VanDerWaalsContact O-N 3.08Å; F416-K420 HydrophobicContact CE1-CG 4.46Å; F416-K420 PolarHBondContact O-N 2.99Å
417	E	81.4	Confident	76.6	Confident	55 Å²	55	54.1 Å²	54.1	26%	0.257	28%	0.284	S	S	.	.	H	α-helix	trans	-66.1	-25	170.8	-79.7	-61.3	141.5	0	0	113.5	R413 E415 K420 K421	R413-E417 WeakPolarHBondContact O-CB 3.47Å; R413-E417 PolarHBondContact O-N 3.17Å; E415-E417 VanDerWaalsContact C-N 3.34Å; E417-K420 WeakPolarHBondContact OE1-CD 3.28Å; E417-K420 WeakPolarHBondContact OE1-CE 3.13Å; E417-K420 IonicContact OE1-NZ 2.77Å; E417-K420 PolarHBondContact OE1-NZ 2.87Å; E417-K421 VanDerWaalsContact O-CD 3.28Å; E417-K421 WeakPolarHBondContact O-CD 3.5Å; E417-K421 VanDerWaalsContact O-CG 3.26Å; E417-K421 WeakPolarHBondContact O-CG 3.36Å; E417-K421 PolarHBondContact O-N 2.96Å
418	R	80.1	Confident	77.8	Confident	119 Å²	119	50.8 Å²	50.8	45%	0.449	26%	0.264	S	S	.	.	H	α-helix	trans	-76.7	-35.2	168.9	-71.3	164.3	-179.4	170.9	0.7	111.1	K414 E415 F416 K421 F422 F510	K414-R418 WeakPolarHBondContact O-CD 3.36Å; K414-R418 VanDerWaalsContact O-CG 3.28Å; K414-R418 WeakPolarHBondContact O-CG 3.47Å; K414-R418 PolarHBondContact O-N 2.93Å; E415-R418 CarbonylContact O-C 3.58Å; E415-R418 WeakPolarHBondContact O-CA 3.31Å; E415-R418 WeakPolarHBondContact O-CB 3.48Å; E415-R418 PolarHBondContact O-N 3.47Å; E415-R418 VanDerWaalsContact O-N 3.08Å; F416-R418 VanDerWaalsContact C-N 3.26Å; F416-R418 PolarHBondContact O-N 3.41Å; R418-K421 PolarHBondContact O-N 3.07Å; R418-F422 WeakPolarHBondContact O-CB 3.39Å; R418-F422 PolarHBondContact O-N 2.89Å; R418-F510 HydrophobicContact CB-CE2 4Å; R418-F510 HydrophobicContact CB-CZ 3.79Å
419	F	83.6	Confident	79	Confident	2 Å²	2	50.7 Å²	50.7	1%	0.009	27%	0.265	C	S	.	.	H	α-helix	trans	-64	-45.8	173.5	175.4	-108.8	0	0	0	111.9	V147 E415 F416 K421 F422 I423 W506 A507 F510	V147-F419 HydrophobicContact CG1-CD1 4.22Å; V147-F419 HydrophobicContact CG1-CE1 4.17Å; V147-F419 HydrophobicContact CG2-CE1 4.28Å; E415-F419 PolarHBondContact O-N 2.95Å; F416-F419 HydrophobicContact CD2-CD1 4.09Å; F416-F419 AromaticContact CE2-CD1 3.95Å; F416-F419 HydrophobicContact CE2-CD1 3.95Å; F416-F419 HydrophobicContact CE2-CE1 4.42Å; F416-F419 CarbonylContact O-C 3.55Å; F416-F419 WeakPolarHBondContact O-CA 3.27Å; F416-F419 WeakPolarHBondContact O-CB 3.08Å; F416-F419 PolarHBondContact O-N 3.49Å; F416-F419 VanDerWaalsContact O-N 3.08Å; F419-K421 VanDerWaalsContact C-N 3.32Å; F419-K421 PolarHBondContact O-N 3.3Å; F419-F422 WeakPolarHBondContact O-CA 3.37Å; F419-F422 WeakPolarHBondContact O-CB 3.27Å; F419-F422 PolarHBondContact O-N 3.39Å; F419-I423 HydrophobicContact CD2-CG2 4.3Å; F419-I423 HydrophobicContact CE1-CD1 4.26Å; F419-I423 HydrophobicContact CE1-CG2 4.37Å; F419-I423 HydrophobicContact CE2-CG2 3.76Å; F419-I423 HydrophobicContact CZ-CG2 3.81Å; F419-I423 PolarHBondContact O-N 3.03Å; F419-W506 HydrophobicContact CE2-CB 4.07Å; F419-W506 HydrophobicContact CZ-CB 4.12Å; F419-A507 HydrophobicContact CE2-CB 4.44Å; F419-F510 HydrophobicContact CB-CD1 4.18Å; F419-F510 HydrophobicContact CB-CD2 4.34Å; F419-F510 HydrophobicContact CB-CE1 4.03Å; F419-F510 HydrophobicContact CB-CE2 4.2Å; F419-F510 HydrophobicContact CB-CG 4.33Å; F419-F510 HydrophobicContact CB-CZ 4.03Å; F419-F510 HydrophobicContact CD2-CB 3.76Å; F419-F510 HydrophobicContact CD2-CD1 4.03Å; F419-F510 HydrophobicContact CD2-CD2 4.21Å; F419-F510 AromaticContact CD2-CG 3.75Å; F419-F510 HydrophobicContact CD2-CG 3.75Å; F419-F510 HydrophobicContact CE2-CB 4.23Å
420	K	84.3	Confident	80.1	Confident	29 Å²	29	53.3 Å²	53.3	13%	0.126	27%	0.272	C	S	.	.	H	α-helix	trans	-53.6	-47.2	171.6	-70.5	-173.4	-170.8	171.7	0	112.2	E140 F416 E417 F422 I423 K424	E140-K420 IonicContact OE1-NZ 2.97Å; E140-K420 PolarHBondContact OE1-NZ 3.5Å; E140-K420 IonicContact OE2-NZ 3.45Å; E140-K420 PolarHBondContact OE2-NZ 3.24Å; F416-K420 HydrophobicContact CE1-CG 4.46Å; F416-K420 PolarHBondContact O-N 2.99Å; E417-K420 WeakPolarHBondContact OE1-CD 3.28Å; E417-K420 WeakPolarHBondContact OE1-CE 3.13Å; E417-K420 IonicContact OE1-NZ 2.77Å; E417-K420 PolarHBondContact OE1-NZ 2.87Å; K420-F422 PolarHBondContact O-N 2.91Å; K420-I423 WeakPolarHBondContact O-CG1 3.43Å; K420-I423 PolarHBondContact O-N 3.46Å; K420-K424 PolarHBondContact O-N 3.36Å
421	K	84.5	Confident	80.8	Confident	104 Å²	104	54.1 Å²	54.1	45%	0.452	28%	0.275	S	S	.	.	H	α-helix	trans	-65.2	-24.9	177.1	-69.5	165.4	-168.2	164.8	0	113.3	E417 R418 F419 L636	E417-K421 VanDerWaalsContact O-CD 3.28Å; E417-K421 WeakPolarHBondContact O-CD 3.5Å; E417-K421 VanDerWaalsContact O-CG 3.26Å; E417-K421 WeakPolarHBondContact O-CG 3.36Å; E417-K421 PolarHBondContact O-N 2.96Å; R418-K421 PolarHBondContact O-N 3.07Å; F419-K421 VanDerWaalsContact C-N 3.32Å; F419-K421 PolarHBondContact O-N 3.3Å; K421-L636 VanDerWaalsContact NZ-CB 3.35Å
422	F	84.1	Confident	81.8	Confident	54 Å²	54	53 Å²	53	24%	0.237	26%	0.257	C	S	.	.	H	α-helix	trans	-81.5	-34.2	177	171.9	-102.2	0	0	0	113.3	R418 F419 K420 W506 R509 F510	R418-F422 WeakPolarHBondContact O-CB 3.39Å; R418-F422 PolarHBondContact O-N 2.89Å; F419-F422 WeakPolarHBondContact O-CA 3.37Å; F419-F422 WeakPolarHBondContact O-CB 3.27Å; F419-F422 PolarHBondContact O-N 3.39Å; K420-F422 PolarHBondContact O-N 2.91Å; F422-W506 HydrophobicContact CE1-CE3 4.12Å; F422-R509 HydrophobicContact CZ-CB 4.46Å; F422-R509 HydrophobicContact CZ-CG 4.05Å; F422-F510 HydrophobicContact CB-CD2 3.74Å; F422-F510 HydrophobicContact CB-CE2 4.17Å; F422-F510 HydrophobicContact CD1-CB 3.77Å; F422-F510 AromaticContact CD1-CD2 3.86Å; F422-F510 HydrophobicContact CD1-CD2 3.86Å; F422-F510 HydrophobicContact CD1-CG 4.28Å; F422-F510 HydrophobicContact CD2-CD2 4.43Å; F422-F510 HydrophobicContact CE1-CB 3.83Å; F422-F510 HydrophobicContact CG-CB 4.48Å; F422-F510 AromaticContact CG-CD2 3.76Å; F422-F510 HydrophobicContact CG-CD2 3.76Å
423	I	85.4	Confident	82.3	Confident	4 Å²	4	52.4 Å²	52.4	2%	0.021	25%	0.249	C	C	.	.	H	α-helix	trans	-83	-15.1	177.6	64.4	174.3	0	0	0	113.9	F419 K420 G425 T426 E429 W432 W506	F419-I423 HydrophobicContact CD2-CG2 4.3Å; F419-I423 HydrophobicContact CE1-CD1 4.26Å; F419-I423 HydrophobicContact CE1-CG2 4.37Å; F419-I423 HydrophobicContact CE2-CG2 3.76Å; F419-I423 HydrophobicContact CZ-CG2 3.81Å; F419-I423 PolarHBondContact O-N 3.03Å; K420-I423 WeakPolarHBondContact O-CG1 3.43Å; K420-I423 PolarHBondContact O-N 3.46Å; I423-G425 PolarHBondContact O-N 3.46Å; I423-T426 WeakPolarHBondContact O-CB 3.32Å; I423-T426 WeakPolarHBondContact O-CG2 3.34Å; I423-T426 PolarHBondContact O-N 3.49Å; I423-T426 VanDerWaalsContact O-N 3.08Å; I423-T426 PolarHBondContact O-OG1 3.38Å; I423-E429 WeakPolarHBondContact O-CB 3.42Å; I423-W432 HydrophobicContact CD1-CB 3.96Å; I423-W432 HydrophobicContact CD1-CG 4.14Å; I423-W506 HydrophobicContact CG2-CB 4.18Å; I423-W506 HydrophobicContact CG2-CD2 4.41Å; I423-W506 HydrophobicContact CG2-CE3 4.29Å; I423-W506 HydrophobicContact CG2-CG 4.37Å
424	K	82.6	Confident	82.8	Confident	144 Å²	144	51.5 Å²	51.5	63%	0.626	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	132	-179.1	-175.7	146.6	-165.3	163.8	0	112.3	K420 E429	K420-K424 PolarHBondContact O-N 3.36Å; K424-E429 WeakPolarHBondContact CA-OE2 3.49Å; K424-E429 WeakPolarHBondContact CG-OE1 3.43Å
425	G	76.9	Confident	83.4	Confident	73 Å²	73	45.8 Å²	45.8	75%	0.753	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.6	8.3	-174.2	0	0	0	0	0	114.7	I423 E429	I423-G425 PolarHBondContact O-N 3.46Å; G425-E429 PolarHBondContact N-OE2 3.43Å
426	T	84.5	Confident	83.9	Confident	39 Å²	39	44 Å²	44	24%	0.239	21%	0.212	C	C	.	.	S	Bend	trans	-120.4	171.9	-177.9	80.5	0	0	0	0	112.7	I423 G428 E429 W506	I423-T426 WeakPolarHBondContact O-CB 3.32Å; I423-T426 WeakPolarHBondContact O-CG2 3.34Å; I423-T426 PolarHBondContact O-N 3.49Å; I423-T426 VanDerWaalsContact O-N 3.08Å; I423-T426 PolarHBondContact O-OG1 3.38Å; T426-G428 PolarHBondContact O-N 3.07Å; T426-G428 VanDerWaalsContact O-N 3.16Å; T426-G428 PolarHBondContact OG1-N 3.44Å; T426-E429 PolarHBondContact O-N 3.33Å; T426-E429 VanDerWaalsContact O-N 3.1Å; T426-W506 HydrophobicContact CG2-CH2 3.96Å; T426-W506 HydrophobicContact CG2-CZ3 4.13Å; T426-W506 WeakPolarHBondContact OG1-CH2 3.37Å
427	L	80.5	Confident	84.1	Confident	76 Å²	76	44.5 Å²	44.5	40%	0.398	22%	0.215	S	C	.	.	H	α-helix	trans	-58.1	-23.9	170.2	-62.8	178.7	0	0	0	112.8	E429 R430 Y431 W506	L427-E429 VanDerWaalsContact C-N 3.34Å; L427-E429 PolarHBondContact O-N 2.85Å; L427-R430 PolarHBondContact O-N 3.05Å; L427-Y431 HydrophobicContact CB-CE2 4.24Å; L427-Y431 WeakPolarHBondContact O-CD2 3.47Å; L427-Y431 PolarHBondContact O-N 3.48Å; L427-Y431 VanDerWaalsContact O-N 3.07Å; L427-W506 HydrophobicContact CB-CZ2 4.36Å
428	G	81.4	Confident	84.3	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-61.6	-38.9	173.9	0	0	0	0	0	113	T426 R430 Y431 W432	T426-G428 PolarHBondContact O-N 3.07Å; T426-G428 VanDerWaalsContact O-N 3.16Å; T426-G428 PolarHBondContact OG1-N 3.44Å; G428-R430 VanDerWaalsContact C-N 3.33Å; G428-R430 PolarHBondContact O-N 2.89Å; G428-Y431 PolarHBondContact O-N 3.47Å; G428-W432 WeakPolarHBondContact O-CB 3.44Å; G428-W432 PolarHBondContact O-N 2.58Å
429	E	85.5	Confident	84.5	Confident	30 Å²	30	36.3 Å²	36.3	14%	0.14	18%	0.182	C	C	.	.	H	α-helix	trans	-66.4	-35.2	175	-176.9	169.4	-139	0	0	111.6	I423 K424 G425 T426 L427 W432 W433 Y468	I423-E429 WeakPolarHBondContact O-CB 3.42Å; K424-E429 WeakPolarHBondContact CA-OE2 3.49Å; K424-E429 WeakPolarHBondContact CG-OE1 3.43Å; G425-E429 PolarHBondContact N-OE2 3.43Å; T426-E429 PolarHBondContact O-N 3.33Å; T426-E429 VanDerWaalsContact O-N 3.1Å; L427-E429 VanDerWaalsContact C-N 3.34Å; L427-E429 PolarHBondContact O-N 2.85Å; E429-W432 PolarHBondContact O-N 3.41Å; E429-W433 VanDerWaalsContact O-CD1 3.22Å; E429-W433 PolarHBondContact O-N 3.29Å; E429-Y468 HydrophobicContact CG-CE1 4.31Å
430	R	86.1	Confident	84.6	Confident	85 Å²	85	37.7 Å²	37.7	32%	0.321	19%	0.187	S	C	.	.	H	α-helix	trans	-67.5	-43.1	176.3	-57.9	-173.8	-174.7	170.1	6.8	112.3	L427 G428 L434 Y468 Y469 L470	L427-R430 PolarHBondContact O-N 3.05Å; G428-R430 VanDerWaalsContact C-N 3.33Å; G428-R430 PolarHBondContact O-N 2.89Å; R430-L434 WeakPolarHBondContact O-CB 3.36Å; R430-L434 PolarHBondContact O-N 2.84Å; R430-Y468 HydrophobicContact CG-CD1 4.26Å; R430-Y469 WeakPolarHBondContact CD-O 3.39Å; R430-Y469 PolarHBondContact NH1-O 3.23Å; R430-L470 HydrophobicContact CB-CD2 4.01Å
431	Y	84.4	Confident	84.5	Confident	18 Å²	18	36.4 Å²	36.4	7%	0.071	18%	0.181	C	C	.	.	H	α-helix	trans	-66.6	-36.4	173.5	-66.2	-58.7	0	0	0	112.1	L427 G428 W435 I474 F478 V498 P501	L427-Y431 HydrophobicContact CB-CE2 4.24Å; L427-Y431 WeakPolarHBondContact O-CD2 3.47Å; L427-Y431 PolarHBondContact O-N 3.48Å; L427-Y431 VanDerWaalsContact O-N 3.07Å; G428-Y431 PolarHBondContact O-N 3.47Å; Y431-W435 WeakPolarHBondContact O-CB 3.36Å; Y431-W435 PolarHBondContact O-N 3.1Å; Y431-I474 HydrophobicContact CE1-CG2 3.98Å; Y431-I474 WeakPolarHBondContact OH-CD1 3.23Å; Y431-F478 HydrophobicContact CD1-CE2 4.4Å; Y431-F478 HydrophobicContact CD1-CZ 4.3Å; Y431-F478 AromaticContact CE1-CE2 3.92Å; Y431-F478 HydrophobicContact CE1-CE2 3.92Å; Y431-F478 AromaticContact CE1-CZ 3.78Å; Y431-F478 HydrophobicContact CE1-CZ 3.78Å; Y431-V498 HydrophobicContact CD1-CG1 4.21Å; Y431-V498 VanDerWaalsContact O-CG1 3.25Å; Y431-V498 WeakPolarHBondContact O-CG1 3.49Å; Y431-P501 HydrophobicContact CD2-CB 3.78Å; Y431-P501 HydrophobicContact CD2-CG 4.25Å; Y431-P501 HydrophobicContact CE1-CG 4.25Å; Y431-P501 HydrophobicContact CE2-CB 3.7Å; Y431-P501 HydrophobicContact CE2-CG 3.94Å; Y431-P501 HydrophobicContact CG-CB 4.36Å
432	W	86.6	Confident	84.4	Confident	24 Å²	24	34.8 Å²	34.8	9%	0.091	17%	0.174	C	C	.	.	H	α-helix	trans	-61.6	-52.4	175.6	-177.7	80.7	0	0	0	111.8	E140 L143 I423 G428 E429 L434 W435 M436	E140-W432 HydrophobicContact CG-CZ2 4.2Å; L143-W432 HydrophobicContact CD2-CG 4.39Å; I423-W432 HydrophobicContact CD1-CB 3.96Å; I423-W432 HydrophobicContact CD1-CG 4.14Å; G428-W432 WeakPolarHBondContact O-CB 3.44Å; G428-W432 PolarHBondContact O-N 2.58Å; E429-W432 PolarHBondContact O-N 3.41Å; W432-L434 PolarHBondContact O-N 3.15Å; W432-W435 PolarHBondContact O-N 3.42Å; W432-M436 HydrophobicContact CD2-CG 4.34Å; W432-M436 HydrophobicContact CZ2-CG 4.15Å; W432-M436 HydrophobicContact CZ2-SD 4.42Å; W432-M436 WeakPolarHBondContact O-CG 3.44Å; W432-M436 PolarHBondContact O-N 3.17Å
433	W	86.3	Confident	84.2	Confident	62 Å²	62	33.6 Å²	33.6	24%	0.235	17%	0.171	C	C	.	.	H	α-helix	trans	-62.8	-42.4	177.6	-79.1	115.5	0	0	0	112.7	E429 W435 M436 D437 Y461 Y468	E429-W433 VanDerWaalsContact O-CD1 3.22Å; E429-W433 PolarHBondContact O-N 3.29Å; W433-W435 VanDerWaalsContact C-N 3.31Å; W433-W435 PolarHBondContact O-N 3.02Å; W433-M436 PolarHBondContact O-N 3.06Å; W433-D437 PolarHBondContact O-N 3.26Å; W433-Y461 WeakPolarHBondContact CB-OH 3.36Å; W433-Y461 PolarHBondContact O-OH 3.05Å; W433-Y468 HydrophobicContact CB-CD2 4.23Å; W433-Y468 HydrophobicContact CB-CE2 4.37Å; W433-Y468 AromaticContact CD1-CD1 3.94Å; W433-Y468 AromaticContact CD1-CE1 3.44Å; W433-Y468 VanDerWaalsContact CD1-CE1 3.44Å; W433-Y468 AromaticContact CD1-CE2 3.64Å; W433-Y468 AromaticContact CD1-CZ 3.29Å; W433-Y468 HydrophobicContact CD2-CE2 4.13Å; W433-Y468 AromaticContact CE2-CZ 3.82Å; W433-Y468 HydrophobicContact CG-CD2 4.17Å; W433-Y468 HydrophobicContact CG-CE1 4.36Å; W433-Y468 AromaticContact CG-CE2 3.83Å; W433-Y468 HydrophobicContact CG-CE2 3.83Å; W433-Y468 AromaticContact CG-CZ 3.96Å; W433-Y468 AromaticContact NE1-CE1 3.65Å; W433-Y468 AromaticContact NE1-CE2 3.82Å; W433-Y468 AromaticContact NE1-CZ 3.22Å; W433-Y468 PolarHBondContact NE1-OH 3.02Å
434	L	86.5	Confident	83.8	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-59.8	-42.8	177	178.1	64	0	0	0	111.5	R430 W432 D437 I438 M457 Y461 L470 F478 V498	R430-L434 WeakPolarHBondContact O-CB 3.36Å; R430-L434 PolarHBondContact O-N 2.84Å; W432-L434 PolarHBondContact O-N 3.15Å; L434-D437 PolarHBondContact O-N 3.09Å; L434-I438 HydrophobicContact CD1-CD1 4.18Å; L434-I438 HydrophobicContact CD1-CG1 4.44Å; L434-I438 HydrophobicContact CG-CD1 4.02Å; L434-I438 WeakPolarHBondContact O-CD1 3.32Å; L434-I438 VanDerWaalsContact O-CG1 3.23Å; L434-I438 WeakPolarHBondContact O-CG1 3.48Å; L434-I438 PolarHBondContact O-N 3.04Å; L434-M457 HydrophobicContact CD1-CE 4.06Å; L434-Y461 HydrophobicContact CB-CE1 4Å; L434-Y461 HydrophobicContact CD1-CD2 4.08Å; L434-Y461 HydrophobicContact CD1-CE2 4.07Å; L434-Y461 HydrophobicContact CD1-CG 4.38Å; L434-Y461 PolarHBondContact N-OH 3.1Å; L434-L470 HydrophobicContact CD2-CD1 3.94Å; L434-F478 HydrophobicContact CD2-CE2 4.18Å; L434-V498 HydrophobicContact CB-CG1 4.3Å; L434-V498 HydrophobicContact CD2-CB 4.49Å; L434-V498 HydrophobicContact CD2-CG1 4.08Å; L434-V498 HydrophobicContact CD2-CG2 3.51Å; L434-V498 HydrophobicContact CG-CG1 4.27Å; L434-V498 HydrophobicContact CG-CG2 4.21Å
435	W	89.1	Confident	83.3	Confident	2 Å²	2	35.9 Å²	35.9	1%	0.008	18%	0.182	C	C	.	.	H	α-helix	trans	-63.3	-42.8	177.5	-171.3	99	0	0	0	111.8	P10 F139 R142 L143 L146 Y431 W432 W433 I438 E439 Q495 V498	P10-W435 HydrophobicContact CB-CZ2 4.06Å; P10-W435 HydrophobicContact CG-CZ2 4.44Å; F139-W435 HydrophobicContact CB-CZ3 4.47Å; F139-W435 WeakPolarHBondContact O-CZ3 3.43Å; R142-W435 HydrophobicContact CB-CH2 3.88Å; L143-W435 HydrophobicContact CB-CE3 4.07Å; L143-W435 HydrophobicContact CB-CH2 3.93Å; L143-W435 HydrophobicContact CB-CZ2 4.47Å; L143-W435 HydrophobicContact CB-CZ3 3.7Å; L143-W435 HydrophobicContact CD1-CD2 4.1Å; L143-W435 HydrophobicContact CD1-CE3 4.34Å; L143-W435 HydrophobicContact CD1-CZ2 4.36Å; L143-W435 HydrophobicContact CD2-CD2 4.1Å; L143-W435 HydrophobicContact CD2-CE3 3.75Å; L143-W435 HydrophobicContact CD2-CZ3 4.24Å; L143-W435 HydrophobicContact CG-CE3 4.28Å; L143-W435 HydrophobicContact CG-CZ3 4.4Å; L146-W435 HydrophobicContact CD1-CZ2 4.02Å; Y431-W435 WeakPolarHBondContact O-CB 3.36Å; Y431-W435 PolarHBondContact O-N 3.1Å; W432-W435 PolarHBondContact O-N 3.42Å; W433-W435 VanDerWaalsContact C-N 3.31Å; W433-W435 PolarHBondContact O-N 3.02Å; W435-I438 PolarHBondContact O-N 2.79Å; W435-E439 HydrophobicContact CD2-CG 4.47Å; W435-E439 HydrophobicContact CE3-CG 3.96Å; W435-E439 HydrophobicContact CH2-CG 3.56Å; W435-E439 HydrophobicContact CZ2-CG 4.13Å; W435-E439 HydrophobicContact CZ3-CG 3.47Å; W435-E439 VanDerWaalsContact CZ3-CG 3.47Å; W435-E439 PolarHBondContact O-N 3.37Å; W435-E439 VanDerWaalsContact O-N 3.12Å; W435-Q495 HydrophobicContact CG-CG 4.28Å; W435-V498 HydrophobicContact CB-CG1 3.98Å
436	M	85.9	Confident	83.1	Confident	2 Å²	2	34.4 Å²	34.4	1%	0.01	16%	0.157	C	C	.	.	H	α-helix	trans	-64.8	-40.8	176.2	-68.1	-70.4	-67.3	0	0	112.2	D136 F139 E140 W432 W433 I438 E439 R440	D136-M436 HydrophobicContact CB-CE 4.33Å; F139-M436 HydrophobicContact CB-CE 3.7Å; F139-M436 HydrophobicContact CB-SD 3.8Å; E140-M436 HydrophobicContact CG-CE 3.74Å; E140-M436 HydrophobicContact CG-SD 4.37Å; W432-M436 HydrophobicContact CD2-CG 4.34Å; W432-M436 HydrophobicContact CZ2-CG 4.15Å; W432-M436 HydrophobicContact CZ2-SD 4.42Å; W432-M436 WeakPolarHBondContact O-CG 3.44Å; W432-M436 PolarHBondContact O-N 3.17Å; W433-M436 PolarHBondContact O-N 3.06Å; M436-I438 VanDerWaalsContact C-N 3.33Å; M436-I438 PolarHBondContact O-N 3.11Å; M436-E439 PolarHBondContact O-N 3.06Å; M436-R440 WeakPolarHBondContact O-CG 3.36Å; M436-R440 PolarHBondContact O-N 3.05Å
437	D	85.8	Confident	82.3	Confident	12 Å²	12	39.6 Å²	39.6	6%	0.064	18%	0.178	C	C	.	.	H	α-helix	trans	-69.5	-29.2	177.4	-75.7	-29.7	0	0	0	112.9	W433 L434 R440 L441 H453 M457 Y461	W433-D437 PolarHBondContact O-N 3.26Å; L434-D437 PolarHBondContact O-N 3.09Å; D437-R440 WeakPolarHBondContact OD1-CD 3.42Å; D437-R440 IonicContact OD1-CZ 3.6Å; D437-R440 IonicContact OD1-NH1 2.68Å; D437-R440 PolarHBondContact OD1-NH1 3.2Å; D437-L441 PolarHBondContact O-N 2.84Å; D437-H453 PolarHBondContact O-NE2 2.98Å; D437-H453 IonicContact OD1-CE1 2.72Å; D437-H453 PolarHBondContact OD1-CE1 2.96Å; D437-M457 HydrophobicContact CB-CE 3.73Å; D437-M457 HydrophobicContact CB-CG 4.02Å; D437-M457 HydrophobicContact CB-SD 4.01Å; D437-Y461 HydrophobicContact CB-CE2 4.5Å; D437-Y461 WeakPolarHBondContact OD2-CE2 3.45Å; D437-Y461 PolarHBondContact OD2-OH 2.84Å
438	I	85.6	Confident	81.8	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-69.2	-41.5	171	-67.1	164.9	0	0	0	111.1	L434 W435 M436 L441 K442 M457 L491 Q495	L434-I438 HydrophobicContact CD1-CD1 4.18Å; L434-I438 HydrophobicContact CD1-CG1 4.44Å; L434-I438 HydrophobicContact CG-CD1 4.02Å; L434-I438 WeakPolarHBondContact O-CD1 3.32Å; L434-I438 VanDerWaalsContact O-CG1 3.23Å; L434-I438 WeakPolarHBondContact O-CG1 3.48Å; L434-I438 PolarHBondContact O-N 3.04Å; W435-I438 PolarHBondContact O-N 2.79Å; M436-I438 VanDerWaalsContact C-N 3.33Å; M436-I438 PolarHBondContact O-N 3.11Å; I438-L441 PolarHBondContact O-N 2.87Å; I438-K442 PolarHBondContact O-N 3.1Å; I438-M457 HydrophobicContact CG1-CE 3.96Å; I438-L491 HydrophobicContact CD1-CD2 4.42Å; I438-L491 HydrophobicContact CG1-CB 4.26Å; I438-L491 HydrophobicContact CG1-CD2 4.35Å; I438-Q495 HydrophobicContact CD1-CB 4.47Å; I438-Q495 HydrophobicContact CG2-CB 4.11Å; I438-Q495 HydrophobicContact CG2-CG 4.07Å
439	E	85.1	Confident	81.4	Confident	2 Å²	2	39.2 Å²	39.2	1%	0.009	18%	0.182	C	C	.	.	H	α-helix	trans	-61.1	-46.6	173.4	-76.7	-64.5	104.2	0	0	112	F139 R142 W435 M436 L441 K442 Q495	F139-E439 HydrophobicContact CB-CB 4.1Å; F139-E439 HydrophobicContact CB-CG 4.37Å; F139-E439 HydrophobicContact CD1-CB 3.7Å; F139-E439 HydrophobicContact CD1-CG 4.25Å; F139-E439 HydrophobicContact CD2-CB 4.11Å; F139-E439 HydrophobicContact CE1-CB 4.16Å; F139-E439 HydrophobicContact CG-CB 3.69Å; F139-E439 HydrophobicContact CG-CG 4.36Å; R142-E439 WeakPolarHBondContact CD-OE2 3.07Å; R142-E439 IonicContact CZ-OE2 3.91Å; R142-E439 IonicContact NE-OE2 3.74Å; R142-E439 IonicContact NH1-OE1 2.75Å; R142-E439 IonicContact NH1-OE2 3.41Å; R142-E439 PolarHBondContact NH1-OE2 3.34Å; W435-E439 HydrophobicContact CD2-CG 4.47Å; W435-E439 HydrophobicContact CE3-CG 3.96Å; W435-E439 HydrophobicContact CH2-CG 3.56Å; W435-E439 HydrophobicContact CZ2-CG 4.13Å; W435-E439 HydrophobicContact CZ3-CG 3.47Å; W435-E439 VanDerWaalsContact CZ3-CG 3.47Å; W435-E439 PolarHBondContact O-N 3.37Å; W435-E439 VanDerWaalsContact O-N 3.12Å; M436-E439 PolarHBondContact O-N 3.06Å; E439-L441 VanDerWaalsContact C-N 3.25Å; E439-L441 PolarHBondContact O-N 3.22Å; E439-K442 PolarHBondContact O-N 3.48Å; E439-K442 WeakPolarHBondContact OE1-CE 3.47Å; E439-K442 IonicContact OE1-NZ 3.71Å; E439-K442 PolarHBondContact OE1-NZ 3.34Å; E439-Q495 PolarHBondContact OE1-NE2 2.74Å
440	R	84.8	Confident	81	Confident	30 Å²	30	39.7 Å²	39.7	11%	0.113	18%	0.184	C	C	.	.	H	α-helix	trans	-54.5	-42.2	173.8	-72.3	166.2	174.3	169.7	-6.8	111.7	D136 F139 M436 D437 K442 V443 L444	D136-R440 IonicContact OD1-CZ 2.63Å; D136-R440 VanDerWaalsContact OD1-CZ 3.31Å; D136-R440 IonicContact OD1-NE 3.96Å; D136-R440 PolarHBondContact OD1-NE 3.25Å; D136-R440 IonicContact OD1-NH2 2.67Å; D136-R440 PolarHBondContact OD1-NH2 2.94Å; D136-R440 IonicContact OD2-CZ 3.63Å; D136-R440 IonicContact OD2-NE 2.72Å; D136-R440 IonicContact OD2-NH2 3.3Å; D136-R440 PolarHBondContact OD2-NH2 3.28Å; F139-R440 HydrophobicContact CD2-CG 3.99Å; F139-R440 HydrophobicContact CE2-CB 4.39Å; F139-R440 HydrophobicContact CE2-CG 3.67Å; M436-R440 WeakPolarHBondContact O-CG 3.36Å; M436-R440 PolarHBondContact O-N 3.05Å; D437-R440 WeakPolarHBondContact OD1-CD 3.42Å; D437-R440 IonicContact OD1-CZ 3.6Å; D437-R440 IonicContact OD1-NH1 2.68Å; D437-R440 PolarHBondContact OD1-NH1 3.2Å; R440-K442 PolarHBondContact O-N 3.21Å; R440-V443 PolarHBondContact O-N 3.46Å; R440-L444 WeakPolarHBondContact O-CG 2.9Å; R440-L444 PolarHBondContact O-N 3.18Å
441	L	83.4	Confident	80.6	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.01	19%	0.186	C	C	.	.	H	α-helix	trans	-61.4	-45.8	-178	-170	69.7	0	0	0	112.3	D437 I438 E439 V443 L444 H450 H453 V454 E488 L491	D437-L441 PolarHBondContact O-N 2.84Å; I438-L441 PolarHBondContact O-N 2.87Å; E439-L441 VanDerWaalsContact C-N 3.25Å; E439-L441 PolarHBondContact O-N 3.22Å; L441-V443 PolarHBondContact O-N 2.71Å; L441-V443 VanDerWaalsContact O-N 3.07Å; L441-L444 PolarHBondContact O-N 3.33Å; L441-L444 VanDerWaalsContact O-N 3.16Å; L441-H450 VanDerWaalsContact CD1-CD2 3.43Å; L441-H450 WeakPolarHBondContact CD1-CD2 3.32Å; L441-H450 WeakPolarHBondContact CD1-NE2 3.46Å; L441-H453 HydrophobicContact CD1-CB 4.45Å; L441-V454 HydrophobicContact CD1-CG2 3.63Å; L441-V454 HydrophobicContact CD2-CG2 4.16Å; L441-E488 HydrophobicContact CD2-CB 4.3Å; L441-E488 HydrophobicContact CD2-CG 4.03Å; L441-E488 HydrophobicContact CG-CG 4.18Å; L441-L491 HydrophobicContact CD2-CD1 3.58Å
442	K	82.3	Confident	80.2	Confident	70 Å²	70	41.7 Å²	41.7	30%	0.304	20%	0.195	S	C	.	.	H	α-helix	trans	-57.2	-23.4	177.9	-64	172.6	-176.2	177.9	0	114.1	I438 E439 R440 R492	I438-K442 PolarHBondContact O-N 3.1Å; E439-K442 PolarHBondContact O-N 3.48Å; E439-K442 WeakPolarHBondContact OE1-CE 3.47Å; E439-K442 IonicContact OE1-NZ 3.71Å; E439-K442 PolarHBondContact OE1-NZ 3.34Å; R440-K442 PolarHBondContact O-N 3.21Å; K442-R492 HydrophobicContact CG-CG 4.39Å
443	V	79.8	Confident	79.9	Confident	29 Å²	29	41.5 Å²	41.5	18%	0.176	20%	0.195	C	C	.	.	H	α-helix	trans	-93.6	-21.5	-175.1	152.4	0	0	0	0	112.4	E134 F139 R440 L441 K445	E134-V443 HydrophobicContact CB-CG1 3.52Å; E134-V443 HydrophobicContact CG-CG1 3.58Å; E134-V443 HydrophobicContact CG-CG2 4.23Å; F139-V443 HydrophobicContact CE1-CG2 4.03Å; F139-V443 HydrophobicContact CZ-CB 4.23Å; F139-V443 HydrophobicContact CZ-CG1 4.43Å; F139-V443 HydrophobicContact CZ-CG2 3.87Å; R440-V443 PolarHBondContact O-N 3.46Å; L441-V443 PolarHBondContact O-N 2.71Å; L441-V443 VanDerWaalsContact O-N 3.07Å; V443-K445 PolarHBondContact O-N 3.05Å
444	L	77.6	Confident	79.7	Confident	25 Å²	25	38.7 Å²	38.7	13%	0.131	19%	0.185	C	C	.	.			trans	-78	82.3	-172.7	-74.7	173	0	0	0	113.4	R440 L441 D446 R449 H450 H453	R440-L444 WeakPolarHBondContact O-CG 2.9Å; R440-L444 PolarHBondContact O-N 3.18Å; L441-L444 PolarHBondContact O-N 3.33Å; L441-L444 VanDerWaalsContact O-N 3.16Å; L444-D446 PolarHBondContact O-N 3.06Å; L444-R449 HydrophobicContact CD1-CB 4.46Å; L444-R449 HydrophobicContact CD2-CB 3.98Å; L444-H450 HydrophobicContact CB-CB 4.47Å; L444-H453 HydrophobicContact CD1-CB 3.63Å
445	K	71.9	Confident	79.3	Confident	172 Å²	172	42 Å²	42	75%	0.748	20%	0.2	S	C	*	.			trans	-62.6	-18	177.6	-66.6	159.5	-176.5	164.4	0	115.6	E134 V443	E134-K445 IonicContact OE1-NZ 2.66Å; E134-K445 PolarHBondContact OE1-NZ 3.07Å; V443-K445 PolarHBondContact O-N 3.05Å
446	D	72.1	Confident	78.9	Confident	41 Å²	41	47.4 Å²	47.4	22%	0.219	22%	0.224	C	C	.	.			trans	-88.3	113.4	173.2	179.8	-0.1	0	0	0	110	L444 G448 R449 H450 K692	L444-D446 PolarHBondContact O-N 3.06Å; D446-G448 PolarHBondContact O-N 3.29Å; D446-G448 VanDerWaalsContact O-N 3.11Å; D446-G448 PolarHBondContact OD1-N 3.33Å; D446-R449 HydrophobicContact CB-CB 4.32Å; D446-R449 HydrophobicContact CB-CG 4.3Å; D446-R449 WeakPolarHBondContact O-CA 3.3Å; D446-R449 PolarHBondContact O-N 2.79Å; D446-H450 PolarHBondContact O-N 2.98Å; D446-K692 IonicContact OD2-NZ 2.6Å; D446-K692 PolarHBondContact OD2-NZ 2.76Å
447	H	67.5	Low	78.6	Confident	149 Å²	149	47.3 Å²	47.3	69%	0.69	22%	0.223	S	C	*	.	H	α-helix	trans	-50.6	-34.4	174.7	-171.7	-53.6	0	0	0	112.8	Q451	H447-Q451 WeakPolarHBondContact O-CB 3.18Å; H447-Q451 PolarHBondContact O-N 3.33Å
448	G	70.3	Confident	78.4	Confident	33 Å²	33	49.1 Å²	49.1	34%	0.34	23%	0.23	S	C	.	.	H	α-helix	trans	-69.8	-27.8	176.6	0	0	0	0	0	114	D446 R452	D446-G448 PolarHBondContact O-N 3.29Å; D446-G448 VanDerWaalsContact O-N 3.11Å; D446-G448 PolarHBondContact OD1-N 3.33Å; G448-R452 WeakPolarHBondContact O-CG 3.23Å
449	R	72.7	Confident	78	Confident	35 Å²	35	53.9 Å²	53.9	13%	0.132	25%	0.251	C	S	.	.	H	α-helix	trans	-85.2	-42.1	170.7	-70.4	-168.3	-69.7	-143.9	-22.8	112	L444 D446 Q451 R452 H453 E684 Y696	L444-R449 HydrophobicContact CD1-CB 4.46Å; L444-R449 HydrophobicContact CD2-CB 3.98Å; D446-R449 HydrophobicContact CB-CB 4.32Å; D446-R449 HydrophobicContact CB-CG 4.3Å; D446-R449 WeakPolarHBondContact O-CA 3.3Å; D446-R449 PolarHBondContact O-N 2.79Å; R449-Q451 VanDerWaalsContact C-N 3.32Å; R449-Q451 PolarHBondContact O-N 2.88Å; R449-R452 PolarHBondContact O-N 2.94Å; R449-H453 WeakPolarHBondContact O-CB 3.35Å; R449-H453 PolarHBondContact O-N 3.35Å; R449-E684 IonicContact CZ-OE1 3.24Å; R449-E684 IonicContact CZ-OE2 2.84Å; R449-E684 IonicContact NE-OE1 2.74Å; R449-E684 VanDerWaalsContact NH1-CD 3.31Å; R449-E684 IonicContact NH1-OE1 2.79Å; R449-E684 PolarHBondContact NH1-OE1 2.97Å; R449-E684 IonicContact NH1-OE2 2.73Å; R449-E684 PolarHBondContact NH1-OE2 3.02Å; R449-E684 VanDerWaalsContact NH2-CD 3.26Å; R449-E684 IonicContact NH2-OE1 3.99Å; R449-E684 PolarHBondContact NH2-OE1 3.48Å; R449-E684 VanDerWaalsContact NH2-OE1 3.1Å; R449-E684 IonicContact NH2-OE2 3.18Å; R449-E684 PolarHBondContact NH2-OE2 3.48Å; R449-Y696 WeakPolarHBondContact CD-OH 3.47Å; R449-Y696 HydrophobicContact CG-CE1 4.18Å; R449-Y696 WeakPolarHBondContact CG-OH 3.35Å
450	H	78	Confident	77.6	Confident	39 Å²	39	55 Å²	55	18%	0.181	26%	0.258	C	S	.	.	H	α-helix	trans	-52.7	-50.5	176.6	-178.8	-82	0	0	0	110.8	L441 L444 D446 R452 H453 V454	L441-H450 VanDerWaalsContact CD1-CD2 3.43Å; L441-H450 WeakPolarHBondContact CD1-CD2 3.32Å; L441-H450 WeakPolarHBondContact CD1-NE2 3.46Å; L444-H450 HydrophobicContact CB-CB 4.47Å; D446-H450 PolarHBondContact O-N 2.98Å; H450-R452 PolarHBondContact O-N 3.04Å; H450-H453 PolarHBondContact O-N 2.94Å; H450-V454 WeakPolarHBondContact O-CG2 3.12Å; H450-V454 PolarHBondContact O-N 3.42Å
451	Q	77.6	Confident	77.4	Confident	80 Å²	80	53.5 Å²	53.5	37%	0.374	25%	0.253	S	S	.	.	H	α-helix	trans	-58.9	-46.8	176.7	-179	61.7	22.3	0	0	112.8	H447 R449 H453 V454 E455	H447-Q451 WeakPolarHBondContact O-CB 3.18Å; H447-Q451 PolarHBondContact O-N 3.33Å; R449-Q451 VanDerWaalsContact C-N 3.32Å; R449-Q451 PolarHBondContact O-N 2.88Å; Q451-H453 VanDerWaalsContact C-N 3.34Å; Q451-H453 PolarHBondContact O-N 2.94Å; Q451-V454 PolarHBondContact O-N 3.19Å; Q451-E455 PolarHBondContact NE2-OE1 2.75Å; Q451-E455 WeakPolarHBondContact O-CG 3.29Å; Q451-E455 PolarHBondContact O-N 3.18Å
452	R	76	Confident	77.1	Confident	66 Å²	66	55.7 Å²	55.7	25%	0.249	26%	0.264	C	S	.	.	H	α-helix	trans	-64.3	-37.4	177.8	-70.9	-175.8	-150.4	-153.2	5.1	112.8	G448 R449 H450 E455 K456 Y729	G448-R452 WeakPolarHBondContact O-CG 3.23Å; R449-R452 PolarHBondContact O-N 2.94Å; H450-R452 PolarHBondContact O-N 3.04Å; R452-E455 PolarHBondContact O-N 3.31Å; R452-K456 WeakPolarHBondContact O-CB 3.48Å; R452-K456 PolarHBondContact O-N 2.87Å; R452-Y729 PolarHBondContact NH1-OH 3.44Å
453	H	79.6	Confident	76.7	Confident	19 Å²	19	55.7 Å²	55.7	9%	0.088	27%	0.27	C	S	.	.	H	α-helix	trans	-68	-42.7	178	-170.8	52.3	0	0	0	110.7	D437 L441 L444 R449 H450 Q451 E455 K456 M457	D437-H453 PolarHBondContact O-NE2 2.98Å; D437-H453 IonicContact OD1-CE1 2.72Å; D437-H453 PolarHBondContact OD1-CE1 2.96Å; L441-H453 HydrophobicContact CD1-CB 4.45Å; L444-H453 HydrophobicContact CD1-CB 3.63Å; R449-H453 WeakPolarHBondContact O-CB 3.35Å; R449-H453 PolarHBondContact O-N 3.35Å; H450-H453 PolarHBondContact O-N 2.94Å; Q451-H453 VanDerWaalsContact C-N 3.34Å; Q451-H453 PolarHBondContact O-N 2.94Å; H453-E455 VanDerWaalsContact C-N 3.34Å; H453-E455 PolarHBondContact O-N 3.09Å; H453-K456 WeakPolarHBondContact O-CB 3.47Å; H453-K456 PolarHBondContact O-N 3.04Å; H453-M457 VanDerWaalsContact O-CG 3.29Å; H453-M457 WeakPolarHBondContact O-CG 3.21Å; H453-M457 PolarHBondContact O-N 3.42Å
454	V	82.2	Confident	75.8	Confident	4 Å²	4	58.3 Å²	58.3	2%	0.024	29%	0.289	C	S	.	.	H	α-helix	trans	-58.6	-43.4	170.3	171	0	0	0	0	111.8	L441 H450 Q451 M457 K458 W486	L441-V454 HydrophobicContact CD1-CG2 3.63Å; L441-V454 HydrophobicContact CD2-CG2 4.16Å; H450-V454 WeakPolarHBondContact O-CG2 3.12Å; H450-V454 PolarHBondContact O-N 3.42Å; Q451-V454 PolarHBondContact O-N 3.19Å; V454-M457 PolarHBondContact O-N 3.03Å; V454-K458 HydrophobicContact CG1-CD 4.23Å; V454-K458 VanDerWaalsContact CG1-CE 3.48Å; V454-K458 VanDerWaalsContact O-CG 3.31Å; V454-K458 WeakPolarHBondContact O-CG 3.21Å; V454-K458 PolarHBondContact O-N 3.49Å; V454-W486 HydrophobicContact CG1-CB 4.22Å; V454-W486 WeakPolarHBondContact CG1-O 3.38Å
455	E	78.2	Confident	75	Confident	68 Å²	68	61.5 Å²	61.5	32%	0.318	31%	0.307	S	S	.	.	H	α-helix	trans	-66.7	-34.9	175.6	-74.8	176.4	-155	0	0	113.2	Q451 R452 H453 K459	Q451-E455 PolarHBondContact NE2-OE1 2.75Å; Q451-E455 WeakPolarHBondContact O-CG 3.29Å; Q451-E455 PolarHBondContact O-N 3.18Å; R452-E455 PolarHBondContact O-N 3.31Å; H453-E455 VanDerWaalsContact C-N 3.34Å; H453-E455 PolarHBondContact O-N 3.09Å; E455-K459 WeakPolarHBondContact O-CD 3.43Å; E455-K459 VanDerWaalsContact O-CG 3.24Å; E455-K459 WeakPolarHBondContact O-CG 3.44Å; E455-K459 PolarHBondContact O-N 3.45Å
456	K	79.6	Confident	74.5	Confident	117 Å²	117	53.7 Å²	53.7	51%	0.509	28%	0.275	S	S	.	.	H	α-helix	trans	-65.4	-48	172.8	-174.7	179.2	-179.7	178.8	0	110.6	R452 H453 K458 K459 C460	R452-K456 WeakPolarHBondContact O-CB 3.48Å; R452-K456 PolarHBondContact O-N 2.87Å; H453-K456 WeakPolarHBondContact O-CB 3.47Å; H453-K456 PolarHBondContact O-N 3.04Å; K456-K458 VanDerWaalsContact C-N 3.34Å; K456-K458 PolarHBondContact O-N 3.45Å; K456-K459 WeakPolarHBondContact O-CB 3.39Å; K456-K459 PolarHBondContact O-N 2.75Å; K456-K459 VanDerWaalsContact O-N 3.1Å; K456-C460 WeakPolarHBondContact O-CB 3.28Å; K456-C460 PolarHBondContact O-N 2.91Å; K456-C460 PolarHBondContact O-SG 3.41Å
457	M	81.1	Confident	74.3	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-57.3	-45.2	174.4	-68	173.7	80.3	0	0	111.2	L434 D437 I438 H453 V454 K459 C460 Y461 W486 L491	L434-M457 HydrophobicContact CD1-CE 4.06Å; D437-M457 HydrophobicContact CB-CE 3.73Å; D437-M457 HydrophobicContact CB-CG 4.02Å; D437-M457 HydrophobicContact CB-SD 4.01Å; I438-M457 HydrophobicContact CG1-CE 3.96Å; H453-M457 VanDerWaalsContact O-CG 3.29Å; H453-M457 WeakPolarHBondContact O-CG 3.21Å; H453-M457 PolarHBondContact O-N 3.42Å; V454-M457 PolarHBondContact O-N 3.03Å; M457-K459 PolarHBondContact O-N 3Å; M457-C460 PolarHBondContact O-N 3.47Å; M457-C460 VanDerWaalsContact O-N 3.15Å; M457-Y461 HydrophobicContact CB-CD2 4Å; M457-Y461 HydrophobicContact CB-CE2 4.18Å; M457-Y461 HydrophobicContact CG-CD2 4.49Å; M457-Y461 HydrophobicContact CG-CE2 4.18Å; M457-Y461 WeakPolarHBondContact O-CD2 3.37Å; M457-Y461 PolarHBondContact O-N 3.45Å; M457-W486 HydrophobicContact CB-CE3 4.18Å; M457-W486 HydrophobicContact CB-CZ3 3.77Å; M457-W486 HydrophobicContact CE-CZ3 4.27Å; M457-L491 HydrophobicContact CE-CD1 4.24Å
458	K	81.6	Confident	74.4	Confident	49 Å²	49	51.3 Å²	51.3	21%	0.213	26%	0.263	C	S	.	.	I	π-helix	trans	-56.3	-47.5	173	-72.4	168.8	-173.1	179.3	0	111.9	V454 K456 C460 L462 V463 G483 W486	V454-K458 HydrophobicContact CG1-CD 4.23Å; V454-K458 VanDerWaalsContact CG1-CE 3.48Å; V454-K458 VanDerWaalsContact O-CG 3.31Å; V454-K458 WeakPolarHBondContact O-CG 3.21Å; V454-K458 PolarHBondContact O-N 3.49Å; K456-K458 VanDerWaalsContact C-N 3.34Å; K456-K458 PolarHBondContact O-N 3.45Å; K458-C460 VanDerWaalsContact C-N 3.31Å; K458-C460 PolarHBondContact O-N 3.32Å; K458-L462 WeakPolarHBondContact O-CB 3.38Å; K458-L462 PolarHBondContact O-N 3.4Å; K458-L462 VanDerWaalsContact O-N 3.12Å; K458-V463 PolarHBondContact O-N 2.98Å; K458-G483 VanDerWaalsContact CE-O 3.27Å; K458-G483 WeakPolarHBondContact CE-O 3.31Å; K458-G483 PolarHBondContact NZ-O 3.42Å; K458-W486 HydrophobicContact CD-CB 4.43Å; K458-W486 HydrophobicContact CD-CG 4.42Å; K458-W486 HydrophobicContact CG-CB 4.38Å; K458-W486 HydrophobicContact CG-CD2 3.93Å; K458-W486 HydrophobicContact CG-CE3 4.31Å; K458-W486 HydrophobicContact CG-CG 3.95Å
459	K	77.3	Confident	74.7	Confident	102 Å²	102	53.1 Å²	53.1	44%	0.443	26%	0.26	S	S	.	.	I	π-helix	trans	-62.1	-34.3	176.7	-69.6	163.8	-172.7	172.7	0	112.9	E455 K456 M457 G466	E455-K459 WeakPolarHBondContact O-CD 3.43Å; E455-K459 VanDerWaalsContact O-CG 3.24Å; E455-K459 WeakPolarHBondContact O-CG 3.44Å; E455-K459 PolarHBondContact O-N 3.45Å; K456-K459 WeakPolarHBondContact O-CB 3.39Å; K456-K459 PolarHBondContact O-N 2.75Å; K456-K459 VanDerWaalsContact O-N 3.1Å; M457-K459 PolarHBondContact O-N 3Å; K459-G466 WeakPolarHBondContact O-CA 3.39Å
460	C	77.1	Confident	74.9	Confident	24 Å²	24	51.5 Å²	51.5	16%	0.162	25%	0.254	C	S	.	.	I	π-helix	trans	-85.5	-35.1	-176.4	-68	0	0	0	0	114.9	K456 M457 K458 G466 Y468 Y469	K456-C460 WeakPolarHBondContact O-CB 3.28Å; K456-C460 PolarHBondContact O-N 2.91Å; K456-C460 PolarHBondContact O-SG 3.41Å; M457-C460 PolarHBondContact O-N 3.47Å; M457-C460 VanDerWaalsContact O-N 3.15Å; K458-C460 VanDerWaalsContact C-N 3.31Å; K458-C460 PolarHBondContact O-N 3.32Å; C460-G466 CarbonylContact O-C 3.51Å; C460-Y468 CarbonylContact O-C 3.41Å; C460-Y468 VanDerWaalsContact O-C 3.29Å; C460-Y468 PolarHBondContact O-N 3.18Å; C460-Y469 PolarHBondContact O-N 2.94Å
461	Y	80.2	Confident	74.9	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.261	C	S	.	.	I	π-helix	trans	-112.5	-32.3	-170.2	-59.7	-68.9	0	0	0	114.9	W433 L434 D437 M457 Y468 Y469 L470 W486	W433-Y461 WeakPolarHBondContact CB-OH 3.36Å; W433-Y461 PolarHBondContact O-OH 3.05Å; L434-Y461 HydrophobicContact CB-CE1 4Å; L434-Y461 HydrophobicContact CD1-CD2 4.08Å; L434-Y461 HydrophobicContact CD1-CE2 4.07Å; L434-Y461 HydrophobicContact CD1-CG 4.38Å; L434-Y461 PolarHBondContact N-OH 3.1Å; D437-Y461 HydrophobicContact CB-CE2 4.5Å; D437-Y461 WeakPolarHBondContact OD2-CE2 3.45Å; D437-Y461 PolarHBondContact OD2-OH 2.84Å; M457-Y461 HydrophobicContact CB-CD2 4Å; M457-Y461 HydrophobicContact CB-CE2 4.18Å; M457-Y461 HydrophobicContact CG-CD2 4.49Å; M457-Y461 HydrophobicContact CG-CE2 4.18Å; M457-Y461 WeakPolarHBondContact O-CD2 3.37Å; M457-Y461 PolarHBondContact O-N 3.45Å; Y461-Y468 WeakPolarHBondContact CD1-O 3.48Å; Y461-Y468 HydrophobicContact CE1-CD2 4.45Å; Y461-Y468 HydrophobicContact CE1-CG 4.35Å; Y461-Y469 WeakPolarHBondContact O-CD2 3.44Å; Y461-L470 HydrophobicContact CD1-CD1 4.24Å; Y461-L470 HydrophobicContact CD1-CG 4.2Å; Y461-L470 HydrophobicContact CG-CD1 4.44Å; Y461-L470 PolarHBondContact O-N 3.04Å; Y461-W486 HydrophobicContact CD2-CH2 4.17Å; Y461-W486 HydrophobicContact CD2-CZ3 4.37Å; Y461-W486 HydrophobicContact CG-CH2 4.34Å
462	L	77.3	Confident	74.6	Confident	47 Å²	47	50.8 Å²	50.8	25%	0.246	27%	0.266	C	S	.	.	I	π-helix	trans	-92	-32.5	-175.2	177.4	62	0	0	0	112.6	K458 L475 W486	K458-L462 WeakPolarHBondContact O-CB 3.38Å; K458-L462 PolarHBondContact O-N 3.4Å; K458-L462 VanDerWaalsContact O-N 3.12Å; L462-L475 HydrophobicContact CD1-CD1 3.9Å; L462-W486 HydrophobicContact CB-CZ2 4.14Å
463	V	73.3	Confident	74.6	Confident	71 Å²	71	53.8 Å²	53.8	43%	0.43	28%	0.283	S	S	.	.	S	Bend	trans	-82.2	133.6	178.6	-175.5	0	0	0	0	110.1	K458 N465 G466 Y469	K458-V463 PolarHBondContact O-N 2.98Å; V463-N465 HydrophobicContact CG1-CB 4.39Å; V463-N465 PolarHBondContact O-N 2.84Å; V463-G466 WeakPolarHBondContact O-CA 3.47Å; V463-G466 PolarHBondContact O-N 2.74Å; V463-Y469 VanDerWaalsContact O-CD2 3.24Å; V463-Y469 WeakPolarHBondContact O-CD2 3.43Å
464	S	60.7	Low	74.5	Confident	83 Å²	83	53.4 Å²	53.4	58%	0.58	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-27.7	179.3	49.3	0	0	0	0	114.5	G466	S464-G466 VanDerWaalsContact C-N 3.31Å
465	N	61.3	Low	74.3	Confident	93 Å²	93	53.4 Å²	53.4	50%	0.497	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	11.4	174.8	-60.9	-5.6	0	0	0	113.2	V463 K717	V463-N465 HydrophobicContact CG1-CB 4.39Å; V463-N465 PolarHBondContact O-N 2.84Å; N465-K717 PolarHBondContact O-NZ 3.18Å
466	G	61.6	Low	74.1	Confident	8 Å²	8	53 Å²	53	8%	0.082	29%	0.285	C	S	.	.	S	Bend	trans	-82	138.8	174.3	0	0	0	0	0	111.4	K459 C460 V463 S464 Y468 Y469	K459-G466 WeakPolarHBondContact O-CA 3.39Å; C460-G466 CarbonylContact O-C 3.51Å; V463-G466 WeakPolarHBondContact O-CA 3.47Å; V463-G466 PolarHBondContact O-N 2.74Å; S464-G466 VanDerWaalsContact C-N 3.31Å; G466-Y468 PolarHBondContact O-N 2.7Å; G466-Y468 VanDerWaalsContact O-N 3.09Å; G466-Y469 WeakPolarHBondContact O-CB 3.05Å; G466-Y469 PolarHBondContact O-N 3.05Å
467	D	66.4	Low	73.9	Confident	76 Å²	76	53.2 Å²	53.2	41%	0.406	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-15.9	-165.5	-42	-86.7	0	0	0	113	Q710 K717	D467-Q710 PolarHBondContact OD1-NE2 3.08Å; D467-K717 IonicContact OD1-NZ 2.61Å; D467-K717 PolarHBondContact OD1-NZ 3.5Å; D467-K717 IonicContact OD2-NZ 2.75Å; D467-K717 PolarHBondContact OD2-NZ 3.36Å
468	Y	69.6	Low	73.7	Confident	63 Å²	63	54.1 Å²	54.1	25%	0.247	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.8	28.3	173.1	-58.1	-57.9	0	0	0	113.5	E429 R430 W433 C460 Y461 G466 L470	E429-Y468 HydrophobicContact CG-CE1 4.31Å; R430-Y468 HydrophobicContact CG-CD1 4.26Å; W433-Y468 HydrophobicContact CB-CD2 4.23Å; W433-Y468 HydrophobicContact CB-CE2 4.37Å; W433-Y468 AromaticContact CD1-CD1 3.94Å; W433-Y468 AromaticContact CD1-CE1 3.44Å; W433-Y468 VanDerWaalsContact CD1-CE1 3.44Å; W433-Y468 AromaticContact CD1-CE2 3.64Å; W433-Y468 AromaticContact CD1-CZ 3.29Å; W433-Y468 HydrophobicContact CD2-CE2 4.13Å; W433-Y468 AromaticContact CE2-CZ 3.82Å; W433-Y468 HydrophobicContact CG-CD2 4.17Å; W433-Y468 HydrophobicContact CG-CE1 4.36Å; W433-Y468 AromaticContact CG-CE2 3.83Å; W433-Y468 HydrophobicContact CG-CE2 3.83Å; W433-Y468 AromaticContact CG-CZ 3.96Å; W433-Y468 AromaticContact NE1-CE1 3.65Å; W433-Y468 AromaticContact NE1-CE2 3.82Å; W433-Y468 AromaticContact NE1-CZ 3.22Å; W433-Y468 PolarHBondContact NE1-OH 3.02Å; C460-Y468 CarbonylContact O-C 3.41Å; C460-Y468 VanDerWaalsContact O-C 3.29Å; C460-Y468 PolarHBondContact O-N 3.18Å; Y461-Y468 WeakPolarHBondContact CD1-O 3.48Å; Y461-Y468 HydrophobicContact CE1-CD2 4.45Å; Y461-Y468 HydrophobicContact CE1-CG 4.35Å; G466-Y468 PolarHBondContact O-N 2.7Å; G466-Y468 VanDerWaalsContact O-N 3.09Å; Y468-L470 PolarHBondContact O-N 3.1Å
469	Y	76.6	Confident	73.4	Confident	71 Å²	71	58.6 Å²	58.6	28%	0.278	31%	0.31	S	S	.	.			trans	-43.3	131	-177.2	173.9	-115.3	0	0	0	114	R430 C460 Y461 V463 G466 L475	R430-Y469 WeakPolarHBondContact CD-O 3.39Å; R430-Y469 PolarHBondContact NH1-O 3.23Å; C460-Y469 PolarHBondContact O-N 2.94Å; Y461-Y469 WeakPolarHBondContact O-CD2 3.44Å; V463-Y469 VanDerWaalsContact O-CD2 3.24Å; V463-Y469 WeakPolarHBondContact O-CD2 3.43Å; G466-Y469 WeakPolarHBondContact O-CB 3.05Å; G466-Y469 PolarHBondContact O-N 3.05Å; Y469-L475 HydrophobicContact CE2-CD1 4.4Å
470	L	78.6	Confident	73.4	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.005	29%	0.289	C	S	.	.			trans	-97.5	134.1	177	-58.9	174.1	0	0	0	109.3	R430 L434 Y461 Y468 I474 L475	R430-L470 HydrophobicContact CB-CD2 4.01Å; L434-L470 HydrophobicContact CD2-CD1 3.94Å; Y461-L470 HydrophobicContact CD1-CD1 4.24Å; Y461-L470 HydrophobicContact CD1-CG 4.2Å; Y461-L470 HydrophobicContact CG-CD1 4.44Å; Y461-L470 PolarHBondContact O-N 3.04Å; Y468-L470 PolarHBondContact O-N 3.1Å; L470-I474 HydrophobicContact CB-CB 4.38Å; L470-I474 HydrophobicContact CB-CG2 4.23Å; L470-I474 HydrophobicContact CD1-CG2 4.46Å; L470-I474 HydrophobicContact CD2-CG2 4.39Å; L470-L475 HydrophobicContact CB-CD1 4.49Å; L470-L475 HydrophobicContact CB-CD2 3.97Å; L470-L475 HydrophobicContact CB-CG 3.9Å; L470-L475 HydrophobicContact CD1-CD2 4.1Å; L470-L475 VanDerWaalsContact O-CD1 3.31Å; L470-L475 WeakPolarHBondContact O-CD1 3.45Å
471	S	77.7	Confident	72.9	Confident	48 Å²	48	56.7 Å²	56.7	34%	0.336	30%	0.303	S	S	.	.			trans	-62	153.7	179.2	63.2	0	0	0	0	111.3	E473 I474 L475	S471-E473 PolarHBondContact O-N 3.07Å; S471-E473 VanDerWaalsContact O-N 3.08Å; S471-I474 WeakPolarHBondContact O-CA 3.16Å; S471-I474 PolarHBondContact O-N 2.64Å; S471-I474 WeakPolarHBondContact OG-CD1 3.25Å; S471-I474 WeakPolarHBondContact OG-CG1 3.33Å; S471-L475 PolarHBondContact O-N 2.96Å
472	A	71.3	Confident	72.4	Confident	57 Å²	57	60.9 Å²	60.9	47%	0.471	33%	0.325	S	S	.	.	H	α-helix	trans	-53.7	-31.9	179	0	0	0	0	0	113	I474 S476	A472-I474 PolarHBondContact O-N 3.4Å; A472-S476 VanDerWaalsContact O-CB 3.26Å; A472-S476 WeakPolarHBondContact O-CB 3.43Å; A472-S476 PolarHBondContact O-N 2.85Å; A472-S476 PolarHBondContact O-OG 2.9Å
473	E	75.3	Confident	71.9	Confident	128 Å²	128	60.5 Å²	60.5	60%	0.598	33%	0.332	S	S	*	.	H	α-helix	trans	-65.8	-30.1	172.6	-67.2	-174.5	-150.9	0	0	115	S471 S476 K477	S471-E473 PolarHBondContact O-N 3.07Å; S471-E473 VanDerWaalsContact O-N 3.08Å; E473-S476 PolarHBondContact O-OG 3.2Å; E473-K477 WeakPolarHBondContact O-CB 3.48Å; E473-K477 WeakPolarHBondContact O-CD 3.25Å; E473-K477 VanDerWaalsContact O-CE 3.29Å; E473-K477 WeakPolarHBondContact O-CE 3.29Å; E473-K477 WeakPolarHBondContact O-CG 3.07Å; E473-K477 PolarHBondContact O-N 2.97Å; E473-K477 IonicContact OE2-NZ 3.72Å; E473-K477 PolarHBondContact OE2-NZ 3.18Å
474	I	77.3	Confident	71.6	Confident	12 Å²	12	61.2 Å²	61.2	6%	0.062	34%	0.341	C	S	.	.	H	α-helix	trans	-83.5	-43.2	178.6	-64.2	167.3	0	0	0	108.8	Y431 L470 S471 A472 S476 K477 F478	Y431-I474 HydrophobicContact CE1-CG2 3.98Å; Y431-I474 WeakPolarHBondContact OH-CD1 3.23Å; L470-I474 HydrophobicContact CB-CB 4.38Å; L470-I474 HydrophobicContact CB-CG2 4.23Å; L470-I474 HydrophobicContact CD1-CG2 4.46Å; L470-I474 HydrophobicContact CD2-CG2 4.39Å; S471-I474 WeakPolarHBondContact O-CA 3.16Å; S471-I474 PolarHBondContact O-N 2.64Å; S471-I474 WeakPolarHBondContact OG-CD1 3.25Å; S471-I474 WeakPolarHBondContact OG-CG1 3.33Å; A472-I474 PolarHBondContact O-N 3.4Å; I474-S476 VanDerWaalsContact C-N 3.31Å; I474-S476 PolarHBondContact O-N 3.07Å; I474-K477 PolarHBondContact O-N 3.32Å; I474-F478 HydrophobicContact CG2-CD2 3.76Å; I474-F478 HydrophobicContact CG2-CE2 3.41Å; I474-F478 VanDerWaalsContact CG2-CE2 3.41Å; I474-F478 HydrophobicContact CG2-CZ 4.11Å; I474-F478 WeakPolarHBondContact O-CG 3.49Å; I474-F478 PolarHBondContact O-N 2.89Å
475	L	77.8	Confident	72	Confident	4 Å²	4	59.9 Å²	59.9	2%	0.021	33%	0.325	C	S	.	.	H	α-helix	trans	-62.4	-35.8	174.5	-67.1	170.3	0	0	0	112.2	L462 Y469 L470 S471 K479 L480 L481 W486	L462-L475 HydrophobicContact CD1-CD1 3.9Å; Y469-L475 HydrophobicContact CE2-CD1 4.4Å; L470-L475 HydrophobicContact CB-CD1 4.49Å; L470-L475 HydrophobicContact CB-CD2 3.97Å; L470-L475 HydrophobicContact CB-CG 3.9Å; L470-L475 HydrophobicContact CD1-CD2 4.1Å; L470-L475 VanDerWaalsContact O-CD1 3.31Å; L470-L475 WeakPolarHBondContact O-CD1 3.45Å; S471-L475 PolarHBondContact O-N 2.96Å; L475-K479 WeakPolarHBondContact O-CA 3.1Å; L475-K479 PolarHBondContact O-N 2.7Å; L475-L480 HydrophobicContact CD2-CB 3.94Å; L475-L480 PolarHBondContact O-N 3.37Å; L475-L481 HydrophobicContact CB-CD2 3.6Å; L475-L481 HydrophobicContact CB-CG 4.14Å; L475-L481 HydrophobicContact CD1-CD2 4.46Å; L475-W486 HydrophobicContact CD2-CZ2 4.35Å
476	S	74.4	Confident	72.8	Confident	58 Å²	58	55.6 Å²	55.6	41%	0.406	30%	0.302	S	S	.	.	H	α-helix	trans	-70.1	-43	174.4	68.5	0	0	0	0	112.4	A472 E473 I474 F478 K479	A472-S476 VanDerWaalsContact O-CB 3.26Å; A472-S476 WeakPolarHBondContact O-CB 3.43Å; A472-S476 PolarHBondContact O-N 2.85Å; A472-S476 PolarHBondContact O-OG 2.9Å; E473-S476 PolarHBondContact O-OG 3.2Å; I474-S476 VanDerWaalsContact C-N 3.31Å; I474-S476 PolarHBondContact O-N 3.07Å; S476-F478 VanDerWaalsContact C-N 3.3Å; S476-F478 PolarHBondContact O-N 2.64Å; S476-K479 PolarHBondContact O-N 3.29Å
477	K	76.2	Confident	73.6	Confident	122 Å²	122	59.6 Å²	59.6	53%	0.53	32%	0.321	S	S	.	.	H	α-helix	trans	-58.7	-39.7	174.7	-74.7	163.5	-162.3	157	0	112.2	E473 I474	E473-K477 WeakPolarHBondContact O-CB 3.48Å; E473-K477 WeakPolarHBondContact O-CD 3.25Å; E473-K477 VanDerWaalsContact O-CE 3.29Å; E473-K477 WeakPolarHBondContact O-CE 3.29Å; E473-K477 WeakPolarHBondContact O-CG 3.07Å; E473-K477 PolarHBondContact O-N 2.97Å; E473-K477 IonicContact OE2-NZ 3.72Å; E473-K477 PolarHBondContact OE2-NZ 3.18Å; I474-K477 PolarHBondContact O-N 3.32Å
478	F	76.3	Confident	74	Confident	20 Å²	20	58.5 Å²	58.5	9%	0.088	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-5.8	175.9	-60.9	-30	0	0	0	114.4	Y431 L434 I474 S476 L480 H490 I494 E497 V498	Y431-F478 HydrophobicContact CD1-CE2 4.4Å; Y431-F478 HydrophobicContact CD1-CZ 4.3Å; Y431-F478 AromaticContact CE1-CE2 3.92Å; Y431-F478 HydrophobicContact CE1-CE2 3.92Å; Y431-F478 AromaticContact CE1-CZ 3.78Å; Y431-F478 HydrophobicContact CE1-CZ 3.78Å; L434-F478 HydrophobicContact CD2-CE2 4.18Å; I474-F478 HydrophobicContact CG2-CD2 3.76Å; I474-F478 HydrophobicContact CG2-CE2 3.41Å; I474-F478 VanDerWaalsContact CG2-CE2 3.41Å; I474-F478 HydrophobicContact CG2-CZ 4.11Å; I474-F478 WeakPolarHBondContact O-CG 3.49Å; I474-F478 PolarHBondContact O-N 2.89Å; S476-F478 VanDerWaalsContact C-N 3.3Å; S476-F478 PolarHBondContact O-N 2.64Å; F478-L480 HydrophobicContact CB-CD1 4.03Å; F478-L480 HydrophobicContact CB-CG 4.07Å; F478-H490 PolarHBondContact O-NE2 3.16Å; F478-I494 HydrophobicContact CB-CD1 4.24Å; F478-I494 HydrophobicContact CB-CG1 4.29Å; F478-I494 HydrophobicContact CB-CG2 4.1Å; F478-I494 HydrophobicContact CD1-CG2 4.04Å; F478-I494 HydrophobicContact CD2-CG2 4.24Å; F478-I494 HydrophobicContact CG-CG2 3.89Å; F478-I494 VanDerWaalsContact O-CD1 3.28Å; F478-I494 WeakPolarHBondContact O-CD1 3.47Å; F478-E497 HydrophobicContact CD1-CB 4.12Å; F478-E497 HydrophobicContact CE1-CB 3.74Å; F478-V498 HydrophobicContact CD2-CG2 4.47Å; F478-V498 HydrophobicContact CE1-CG2 4.22Å; F478-V498 HydrophobicContact CE2-CG2 3.81Å; F478-V498 HydrophobicContact CZ-CB 4.49Å; F478-V498 HydrophobicContact CZ-CG2 3.67Å
479	K	75.4	Confident	74.4	Confident	142 Å²	142	62.1 Å²	62.1	62%	0.617	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	55.4	-171.2	-53.5	174.7	-176.8	176.3	0	111.6	L475 S476 Q485 H490	L475-K479 WeakPolarHBondContact O-CA 3.1Å; L475-K479 PolarHBondContact O-N 2.7Å; S476-K479 PolarHBondContact O-N 3.29Å; K479-Q485 VanDerWaalsContact C-OE1 3.23Å; K479-Q485 WeakPolarHBondContact O-CB 3.31Å; K479-Q485 PolarHBondContact O-OE1 3.08Å; K479-H490 PolarHBondContact O-NE2 2.76Å
480	L	76.3	Confident	74.5	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	33%	0.331	C	S	.	.			trans	-121.8	16	178.7	-74.2	179.8	0	0	0	112.9	L475 F478 W486 L491 I494	L475-L480 HydrophobicContact CD2-CB 3.94Å; L475-L480 PolarHBondContact O-N 3.37Å; F478-L480 HydrophobicContact CB-CD1 4.03Å; F478-L480 HydrophobicContact CB-CG 4.07Å; L480-W486 HydrophobicContact CB-CZ2 4.1Å; L480-W486 HydrophobicContact CD1-CH2 4.11Å; L480-W486 HydrophobicContact CD1-CZ2 4.03Å; L480-W486 HydrophobicContact CD2-CD2 4.13Å; L480-W486 HydrophobicContact CD2-CG 4.24Å; L480-W486 HydrophobicContact CD2-CZ2 4.48Å; L480-W486 HydrophobicContact CG-CZ2 4.46Å; L480-W486 PolarHBondContact O-NE1 3.45Å; L480-L491 HydrophobicContact CD1-CD2 4.21Å; L480-L491 HydrophobicContact CD2-CD2 4.1Å; L480-I494 HydrophobicContact CD1-CD1 3.85Å; L480-I494 HydrophobicContact CD2-CD1 3.65Å; L480-I494 HydrophobicContact CG-CD1 3.61Å
481	L	67.4	Low	74.6	Confident	87 Å²	87	61 Å²	61	46%	0.455	33%	0.33	S	S	.	.			trans	-67.1	-40.2	178.8	-70.1	171.6	0	0	0	111.4	L475	L475-L481 HydrophobicContact CB-CD2 3.6Å; L475-L481 HydrophobicContact CB-CG 4.14Å; L475-L481 HydrophobicContact CD1-CD2 4.46Å
482	D	70.4	Confident	74.7	Confident	88 Å²	88	63.1 Å²	63.1	47%	0.471	33%	0.331	S	S	.	.	S	Bend	trans	-86	132.8	-179.3	-58.7	-58.1	0	0	0	111	S484 Q485	D482-S484 PolarHBondContact O-N 3.1Å; D482-Q485 HydrophobicContact CB-CG 4.15Å; D482-Q485 VanDerWaalsContact N-OE1 3.11Å; D482-Q485 WeakPolarHBondContact O-CB 3.33Å; D482-Q485 PolarHBondContact O-N 3.01Å; D482-Q485 PolarHBondContact OD2-NE2 3.4Å
483	G	65.3	Low	75.2	Confident	38 Å²	38	66 Å²	66	39%	0.392	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-11.3	178.4	0	0	0	0	0	115	K458	K458-G483 VanDerWaalsContact CE-O 3.27Å; K458-G483 WeakPolarHBondContact CE-O 3.31Å; K458-G483 PolarHBondContact NZ-O 3.42Å
484	S	67.9	Low	75.5	Confident	87 Å²	87	60.3 Å²	60.3	61%	0.608	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-15.6	174.6	52.7	0	0	0	0	114.5	D482 W486 N487	D482-S484 PolarHBondContact O-N 3.1Å; S484-W486 VanDerWaalsContact C-N 3.31Å; S484-N487 PolarHBondContact O-ND2 2.9Å; S484-N487 PolarHBondContact O-OD1 3.11Å
485	Q	69.7	Low	75.7	Confident	55 Å²	55	60.3 Å²	60.3	26%	0.257	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-15.1	176.8	-73.5	154.8	-1.2	0	0	112.6	K479 D482 N487 H490	K479-Q485 VanDerWaalsContact C-OE1 3.23Å; K479-Q485 WeakPolarHBondContact O-CB 3.31Å; K479-Q485 PolarHBondContact O-OE1 3.08Å; D482-Q485 HydrophobicContact CB-CG 4.15Å; D482-Q485 VanDerWaalsContact N-OE1 3.11Å; D482-Q485 WeakPolarHBondContact O-CB 3.33Å; D482-Q485 PolarHBondContact O-N 3.01Å; D482-Q485 PolarHBondContact OD2-NE2 3.4Å; Q485-N487 PolarHBondContact O-N 2.96Å; Q485-H490 WeakPolarHBondContact O-CB 3.47Å; Q485-H490 PolarHBondContact O-CD2 3.21Å
486	W	76.4	Confident	75.8	Confident	2 Å²	2	62.1 Å²	62.1	1%	0.008	32%	0.324	C	S	.	.			trans	-74.7	60.5	179.2	-72.9	77.8	0	0	0	112.7	V454 M457 K458 Y461 L462 L475 L480 S484 L491	V454-W486 HydrophobicContact CG1-CB 4.22Å; V454-W486 WeakPolarHBondContact CG1-O 3.38Å; M457-W486 HydrophobicContact CB-CE3 4.18Å; M457-W486 HydrophobicContact CB-CZ3 3.77Å; M457-W486 HydrophobicContact CE-CZ3 4.27Å; K458-W486 HydrophobicContact CD-CB 4.43Å; K458-W486 HydrophobicContact CD-CG 4.42Å; K458-W486 HydrophobicContact CG-CB 4.38Å; K458-W486 HydrophobicContact CG-CD2 3.93Å; K458-W486 HydrophobicContact CG-CE3 4.31Å; K458-W486 HydrophobicContact CG-CG 3.95Å; Y461-W486 HydrophobicContact CD2-CH2 4.17Å; Y461-W486 HydrophobicContact CD2-CZ3 4.37Å; Y461-W486 HydrophobicContact CG-CH2 4.34Å; L462-W486 HydrophobicContact CB-CZ2 4.14Å; L475-W486 HydrophobicContact CD2-CZ2 4.35Å; L480-W486 HydrophobicContact CB-CZ2 4.1Å; L480-W486 HydrophobicContact CD1-CH2 4.11Å; L480-W486 HydrophobicContact CD1-CZ2 4.03Å; L480-W486 HydrophobicContact CD2-CD2 4.13Å; L480-W486 HydrophobicContact CD2-CG 4.24Å; L480-W486 HydrophobicContact CD2-CZ2 4.48Å; L480-W486 HydrophobicContact CG-CZ2 4.46Å; L480-W486 PolarHBondContact O-NE1 3.45Å; S484-W486 VanDerWaalsContact C-N 3.31Å; W486-L491 HydrophobicContact CE3-CD1 4.3Å; W486-L491 HydrophobicContact CE3-CD2 4.22Å; W486-L491 HydrophobicContact CZ3-CD2 4.28Å
487	N	78.8	Confident	76	Confident	92 Å²	92	63.3 Å²	63.3	49%	0.492	32%	0.323	S	S	.	.			trans	-108.5	153.4	177.8	-59	-30	0	0	0	110.1	S484 Q485 E489 H490 L491	S484-N487 PolarHBondContact O-ND2 2.9Å; S484-N487 PolarHBondContact O-OD1 3.11Å; Q485-N487 PolarHBondContact O-N 2.96Å; N487-E489 VanDerWaalsContact C-N 3.33Å; N487-E489 PolarHBondContact O-N 3.4Å; N487-H490 PolarHBondContact O-N 3.32Å; N487-L491 WeakPolarHBondContact O-CB 3.49Å; N487-L491 WeakPolarHBondContact O-CG 3.36Å; N487-L491 PolarHBondContact O-N 3.29Å
488	E	75.9	Confident	76.3	Confident	53 Å²	53	57.5 Å²	57.5	25%	0.248	30%	0.298	C	S	.	.	H	α-helix	trans	-56.7	-43.7	-174.9	-160.6	-159.8	-178.1	0	0	112.9	L441 L491 R492	L441-E488 HydrophobicContact CD2-CB 4.3Å; L441-E488 HydrophobicContact CD2-CG 4.03Å; L441-E488 HydrophobicContact CG-CG 4.18Å; E488-L491 PolarHBondContact O-N 3.45Å; E488-R492 VanDerWaalsContact CD-CZ 3.44Å; E488-R492 VanDerWaalsContact CD-NH2 3.28Å; E488-R492 WeakPolarHBondContact O-CG 3.37Å; E488-R492 PolarHBondContact O-N 3.26Å; E488-R492 IonicContact OE1-CZ 2.86Å; E488-R492 IonicContact OE1-NH1 2.75Å; E488-R492 PolarHBondContact OE1-NH1 2.64Å; E488-R492 IonicContact OE1-NH2 3.75Å; E488-R492 IonicContact OE2-CZ 4Å; E488-R492 VanDerWaalsContact OE2-CZ 3.3Å; E488-R492 IonicContact OE2-NH1 2.64Å; E488-R492 PolarHBondContact OE2-NH1 3.16Å; E488-R492 VanDerWaalsContact OE2-NH1 3.09Å; E488-R492 IonicContact OE2-NH2 2.81Å; E488-R492 PolarHBondContact OE2-NH2 3.03Å
489	E	77.1	Confident	76.7	Confident	140 Å²	140	56.6 Å²	56.6	65%	0.654	29%	0.294	S	S	*	.	H	α-helix	trans	-64	-41	178.9	-60.3	-180	160	0	0	112.9	N487 R492 N493	N487-E489 VanDerWaalsContact C-N 3.33Å; N487-E489 PolarHBondContact O-N 3.4Å; E489-R492 WeakPolarHBondContact O-CB 3.44Å; E489-R492 PolarHBondContact O-N 2.85Å; E489-N493 PolarHBondContact O-N 2.77Å; E489-N493 VanDerWaalsContact O-N 3.11Å; E489-N493 PolarHBondContact O-ND2 3.44Å
490	H	79.9	Confident	77	Confident	49 Å²	49	50.4 Å²	50.4	23%	0.227	27%	0.267	C	S	.	.	H	α-helix	trans	-71	-40.5	178.7	-167.7	52.9	0	0	0	110.9	F478 K479 Q485 N487 R492 N493 I494	F478-H490 PolarHBondContact O-NE2 3.16Å; K479-H490 PolarHBondContact O-NE2 2.76Å; Q485-H490 WeakPolarHBondContact O-CB 3.47Å; Q485-H490 PolarHBondContact O-CD2 3.21Å; N487-H490 PolarHBondContact O-N 3.32Å; H490-R492 PolarHBondContact O-N 2.87Å; H490-N493 PolarHBondContact O-N 3.39Å; H490-N493 VanDerWaalsContact O-N 3.14Å; H490-I494 VanDerWaalsContact CD2-CD1 3.49Å; H490-I494 WeakPolarHBondContact CD2-CD1 3.46Å; H490-I494 WeakPolarHBondContact O-CD1 3.37Å; H490-I494 VanDerWaalsContact O-CG1 3.26Å; H490-I494 WeakPolarHBondContact O-CG1 3.3Å; H490-I494 PolarHBondContact O-N 2.84Å
491	L	80.8	Confident	77.3	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-64.7	-36	173.9	-71.5	170.9	0	0	0	112.5	I438 L441 M457 L480 W486 N487 E488 I494 Q495	I438-L491 HydrophobicContact CD1-CD2 4.42Å; I438-L491 HydrophobicContact CG1-CB 4.26Å; I438-L491 HydrophobicContact CG1-CD2 4.35Å; L441-L491 HydrophobicContact CD2-CD1 3.58Å; M457-L491 HydrophobicContact CE-CD1 4.24Å; L480-L491 HydrophobicContact CD1-CD2 4.21Å; L480-L491 HydrophobicContact CD2-CD2 4.1Å; W486-L491 HydrophobicContact CE3-CD1 4.3Å; W486-L491 HydrophobicContact CE3-CD2 4.22Å; W486-L491 HydrophobicContact CZ3-CD2 4.28Å; N487-L491 WeakPolarHBondContact O-CB 3.49Å; N487-L491 WeakPolarHBondContact O-CG 3.36Å; N487-L491 PolarHBondContact O-N 3.29Å; E488-L491 PolarHBondContact O-N 3.45Å; L491-I494 HydrophobicContact CD2-CD1 4.45Å; L491-I494 PolarHBondContact O-N 3Å; L491-Q495 PolarHBondContact O-N 3.05Å
492	R	79.9	Confident	78	Confident	92 Å²	92	47 Å²	47	35%	0.347	25%	0.249	S	C	.	.	H	α-helix	trans	-56.3	-49.2	167.6	-81.5	-169.2	-88.8	-94.3	-5.8	111.3	K442 E488 E489 H490 I494 Q495	K442-R492 HydrophobicContact CG-CG 4.39Å; E488-R492 VanDerWaalsContact CD-CZ 3.44Å; E488-R492 VanDerWaalsContact CD-NH2 3.28Å; E488-R492 WeakPolarHBondContact O-CG 3.37Å; E488-R492 PolarHBondContact O-N 3.26Å; E488-R492 IonicContact OE1-CZ 2.86Å; E488-R492 IonicContact OE1-NH1 2.75Å; E488-R492 PolarHBondContact OE1-NH1 2.64Å; E488-R492 IonicContact OE1-NH2 3.75Å; E488-R492 IonicContact OE2-CZ 4Å; E488-R492 VanDerWaalsContact OE2-CZ 3.3Å; E488-R492 IonicContact OE2-NH1 2.64Å; E488-R492 PolarHBondContact OE2-NH1 3.16Å; E488-R492 VanDerWaalsContact OE2-NH1 3.09Å; E488-R492 IonicContact OE2-NH2 2.81Å; E488-R492 PolarHBondContact OE2-NH2 3.03Å; E489-R492 WeakPolarHBondContact O-CB 3.44Å; E489-R492 PolarHBondContact O-N 2.85Å; H490-R492 PolarHBondContact O-N 2.87Å; R492-I494 VanDerWaalsContact C-N 3.33Å; R492-I494 PolarHBondContact O-N 3.36Å; R492-Q495 WeakPolarHBondContact O-CB 3.36Å; R492-Q495 PolarHBondContact O-N 3.12Å
493	N	80.1	Confident	78.5	Confident	117 Å²	117	42.8 Å²	42.8	63%	0.626	23%	0.227	S	C	*	.	H	α-helix	trans	-67.3	-30.4	-178.7	-64.6	-22.7	0	0	0	113.3	E489 H490 P496	E489-N493 PolarHBondContact O-N 2.77Å; E489-N493 VanDerWaalsContact O-N 3.11Å; E489-N493 PolarHBondContact O-ND2 3.44Å; H490-N493 PolarHBondContact O-N 3.39Å; H490-N493 VanDerWaalsContact O-N 3.14Å; N493-P496 WeakPolarHBondContact O-CD 3.28Å
494	I	81.9	Confident	79.2	Confident	8 Å²	8	43.1 Å²	43.1	4%	0.041	22%	0.22	C	C	.	.	H	α-helix	trans	-75.9	-28.6	178.2	-72.2	159.6	0	0	0	112.6	F478 L480 H490 L491 R492 E497 V498	F478-I494 HydrophobicContact CB-CD1 4.24Å; F478-I494 HydrophobicContact CB-CG1 4.29Å; F478-I494 HydrophobicContact CB-CG2 4.1Å; F478-I494 HydrophobicContact CD1-CG2 4.04Å; F478-I494 HydrophobicContact CD2-CG2 4.24Å; F478-I494 HydrophobicContact CG-CG2 3.89Å; F478-I494 VanDerWaalsContact O-CD1 3.28Å; F478-I494 WeakPolarHBondContact O-CD1 3.47Å; L480-I494 HydrophobicContact CD1-CD1 3.85Å; L480-I494 HydrophobicContact CD2-CD1 3.65Å; L480-I494 HydrophobicContact CG-CD1 3.61Å; H490-I494 VanDerWaalsContact CD2-CD1 3.49Å; H490-I494 WeakPolarHBondContact CD2-CD1 3.46Å; H490-I494 WeakPolarHBondContact O-CD1 3.37Å; H490-I494 VanDerWaalsContact O-CG1 3.26Å; H490-I494 WeakPolarHBondContact O-CG1 3.3Å; H490-I494 PolarHBondContact O-N 2.84Å; L491-I494 HydrophobicContact CD2-CD1 4.45Å; L491-I494 PolarHBondContact O-N 3Å; R492-I494 VanDerWaalsContact C-N 3.33Å; R492-I494 PolarHBondContact O-N 3.36Å; I494-E497 WeakPolarHBondContact O-CA 3.41Å; I494-E497 WeakPolarHBondContact O-CB 3.34Å; I494-E497 PolarHBondContact O-N 3.1Å; I494-V498 HydrophobicContact CG2-CG2 3.58Å; I494-V498 PolarHBondContact O-N 3.17Å
495	Q	82.3	Confident	79.9	Confident	12 Å²	12	45 Å²	45	6%	0.056	21%	0.214	C	C	.	.	H	α-helix	trans	-50.8	-45.1	-174.1	-161.7	-175.2	24.9	0	0	115.7	W435 I438 E439 L491 R492 E497 V498 L499	W435-Q495 HydrophobicContact CG-CG 4.28Å; I438-Q495 HydrophobicContact CD1-CB 4.47Å; I438-Q495 HydrophobicContact CG2-CB 4.11Å; I438-Q495 HydrophobicContact CG2-CG 4.07Å; E439-Q495 PolarHBondContact OE1-NE2 2.74Å; L491-Q495 PolarHBondContact O-N 3.05Å; R492-Q495 WeakPolarHBondContact O-CB 3.36Å; R492-Q495 PolarHBondContact O-N 3.12Å; Q495-E497 VanDerWaalsContact C-N 3.32Å; Q495-E497 PolarHBondContact O-N 2.68Å; Q495-V498 WeakPolarHBondContact O-CB 3.35Å; Q495-V498 PolarHBondContact O-N 2.79Å; Q495-L499 PolarHBondContact O-N 2.7Å
496	P	80.4	Confident	80.6	Confident	42 Å²	42	43.4 Å²	43.4	27%	0.273	21%	0.206	S	C	.	.	H	α-helix	trans	-64.9	-31.5	174.6	24.8	-35.1	0	0	0	113.3	A8 N493 V498 L499 K500	A8-P496 HydrophobicContact CB-CB 4.35Å; N493-P496 WeakPolarHBondContact O-CD 3.28Å; P496-V498 VanDerWaalsContact C-N 3.35Å; P496-L499 PolarHBondContact O-N 3.43Å; P496-K500 WeakPolarHBondContact O-CG 3.43Å; P496-K500 PolarHBondContact O-N 2.97Å; P496-K500 VanDerWaalsContact O-N 3.08Å
497	E	78.4	Confident	80.9	Confident	84 Å²	84	43.3 Å²	43.3	39%	0.393	21%	0.206	S	C	.	.	H	α-helix	trans	-70.6	-30.5	174.3	-56.7	-56.8	140.3	0	0	112.3	F478 I494 Q495 K500 P501	F478-E497 HydrophobicContact CD1-CB 4.12Å; F478-E497 HydrophobicContact CE1-CB 3.74Å; I494-E497 WeakPolarHBondContact O-CA 3.41Å; I494-E497 WeakPolarHBondContact O-CB 3.34Å; I494-E497 PolarHBondContact O-N 3.1Å; Q495-E497 VanDerWaalsContact C-N 3.32Å; Q495-E497 PolarHBondContact O-N 2.68Å; E497-K500 IonicContact OE1-NZ 3.81Å; E497-K500 PolarHBondContact OE1-NZ 2.89Å; E497-K500 VanDerWaalsContact OE2-CD 3.28Å; E497-K500 WeakPolarHBondContact OE2-CD 3.26Å; E497-K500 IonicContact OE2-NZ 3.41Å; E497-K500 PolarHBondContact OE2-NZ 3.37Å; E497-P501 WeakPolarHBondContact O-CD 3.25Å
498	V	82.8	Confident	81	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-71.6	-33.6	172.1	175.1	0	0	0	0	111.6	Y431 L434 W435 F478 I494 Q495 P496 P501	Y431-V498 HydrophobicContact CD1-CG1 4.21Å; Y431-V498 VanDerWaalsContact O-CG1 3.25Å; Y431-V498 WeakPolarHBondContact O-CG1 3.49Å; L434-V498 HydrophobicContact CB-CG1 4.3Å; L434-V498 HydrophobicContact CD2-CB 4.49Å; L434-V498 HydrophobicContact CD2-CG1 4.08Å; L434-V498 HydrophobicContact CD2-CG2 3.51Å; L434-V498 HydrophobicContact CG-CG1 4.27Å; L434-V498 HydrophobicContact CG-CG2 4.21Å; W435-V498 HydrophobicContact CB-CG1 3.98Å; F478-V498 HydrophobicContact CD2-CG2 4.47Å; F478-V498 HydrophobicContact CE1-CG2 4.22Å; F478-V498 HydrophobicContact CE2-CG2 3.81Å; F478-V498 HydrophobicContact CZ-CB 4.49Å; F478-V498 HydrophobicContact CZ-CG2 3.67Å; I494-V498 HydrophobicContact CG2-CG2 3.58Å; I494-V498 PolarHBondContact O-N 3.17Å; Q495-V498 WeakPolarHBondContact O-CB 3.35Å; Q495-V498 PolarHBondContact O-N 2.79Å; P496-V498 VanDerWaalsContact C-N 3.35Å; V498-P501 WeakPolarHBondContact O-CD 3.08Å
499	L	83.4	Confident	81.1	Confident	1 Å²	1	42.8 Å²	42.8	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-72	-32.8	176.7	-176.5	63.6	0	0	0	112.6	L143 L146 Q495 P496 L502 L503	L143-L499 HydrophobicContact CD1-CD1 3.52Å; L146-L499 HydrophobicContact CD1-CD1 4.11Å; L146-L499 HydrophobicContact CD1-CD2 3.7Å; L146-L499 HydrophobicContact CD2-CD2 4.18Å; L146-L499 HydrophobicContact CG-CD2 4.43Å; Q495-L499 PolarHBondContact O-N 2.7Å; P496-L499 PolarHBondContact O-N 3.43Å; L499-L502 WeakPolarHBondContact O-CB 3.17Å; L499-L502 PolarHBondContact O-N 3.11Å; L499-L503 HydrophobicContact CD1-CD1 4.07Å; L499-L503 HydrophobicContact CD1-CD2 4.33Å; L499-L503 HydrophobicContact CD1-CG 3.9Å; L499-L503 HydrophobicContact CD2-CD1 3.91Å; L499-L503 HydrophobicContact CG-CD1 3.7Å; L499-L503 HydrophobicContact CG-CG 3.93Å; L499-L503 PolarHBondContact O-N 2.87Å
500	K	80.9	Confident	81.3	Confident	12 Å²	12	36.1 Å²	36.1	5%	0.052	17%	0.165	C	C	.	.	H	α-helix	trans	-52.3	-51.7	-179.3	-82.9	171.6	-169.9	175.4	0	113.7	N164 F165 P496 E497 L502 L503 L504	N164-K500 PolarHBondContact O-NZ 3.11Å; F165-K500 HydrophobicContact CD1-CD 4Å; F165-K500 HydrophobicContact CD1-CG 3.64Å; F165-K500 HydrophobicContact CE1-CD 4.3Å; F165-K500 HydrophobicContact CE1-CG 3.55Å; P496-K500 WeakPolarHBondContact O-CG 3.43Å; P496-K500 PolarHBondContact O-N 2.97Å; P496-K500 VanDerWaalsContact O-N 3.08Å; E497-K500 IonicContact OE1-NZ 3.81Å; E497-K500 PolarHBondContact OE1-NZ 2.89Å; E497-K500 VanDerWaalsContact OE2-CD 3.28Å; E497-K500 WeakPolarHBondContact OE2-CD 3.26Å; E497-K500 IonicContact OE2-NZ 3.41Å; E497-K500 PolarHBondContact OE2-NZ 3.37Å; K500-L502 VanDerWaalsContact C-N 3.29Å; K500-L502 PolarHBondContact O-N 3.11Å; K500-L503 PolarHBondContact O-N 2.81Å; K500-L504 HydrophobicContact CB-CD1 4.34Å; K500-L504 HydrophobicContact CG-CD1 4.37Å; K500-L504 VanDerWaalsContact O-CB 3.26Å; K500-L504 WeakPolarHBondContact O-CB 3.39Å; K500-L504 WeakPolarHBondContact O-CG 3.49Å; K500-L504 PolarHBondContact O-N 2.92Å
501	P	82.6	Confident	81.2	Confident	13 Å²	13	33.8 Å²	33.8	8%	0.084	16%	0.155	C	C	.	.	H	α-helix	trans	-57.9	-34.7	173.9	-28.1	34.8	0	0	0	114.7	Y431 E497 V498 Y505 W506	Y431-P501 HydrophobicContact CD2-CB 3.78Å; Y431-P501 HydrophobicContact CD2-CG 4.25Å; Y431-P501 HydrophobicContact CE1-CG 4.25Å; Y431-P501 HydrophobicContact CE2-CB 3.7Å; Y431-P501 HydrophobicContact CE2-CG 3.94Å; Y431-P501 HydrophobicContact CG-CB 4.36Å; E497-P501 WeakPolarHBondContact O-CD 3.25Å; V498-P501 WeakPolarHBondContact O-CD 3.08Å; P501-Y505 WeakPolarHBondContact O-CB 3.32Å; P501-Y505 PolarHBondContact O-N 3.37Å; P501-W506 VanDerWaalsContact O-CD1 3.31Å; P501-W506 PolarHBondContact O-N 3.37Å; P501-W506 VanDerWaalsContact O-N 3.11Å
502	L	83	Confident	80.9	Confident	1 Å²	1	36.1 Å²	36.1	1%	0.005	17%	0.169	C	C	.	.	I	π-helix	trans	-69	-48.6	179.4	-67.3	171.7	0	0	0	111.1	L499 K500 W506 A507	L499-L502 WeakPolarHBondContact O-CB 3.17Å; L499-L502 PolarHBondContact O-N 3.11Å; K500-L502 VanDerWaalsContact C-N 3.29Å; K500-L502 PolarHBondContact O-N 3.11Å; L502-W506 PolarHBondContact O-N 2.86Å; L502-A507 WeakPolarHBondContact O-CB 3.36Å; L502-A507 PolarHBondContact O-N 3.49Å
503	L	81.2	Confident	80.5	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.168	C	C	.	.	I	π-helix	trans	-77.1	-38.3	-178	-62.1	-177.3	0	0	0	113.9	L146 V147 V150 L499 K500 P508	L146-L503 WeakPolarHBondContact O-CD2 3.39Å; V147-L503 HydrophobicContact CB-CD2 4.47Å; V147-L503 HydrophobicContact CG2-CD2 3.97Å; V150-L503 HydrophobicContact CG2-CD2 4.15Å; L499-L503 HydrophobicContact CD1-CD1 4.07Å; L499-L503 HydrophobicContact CD1-CD2 4.33Å; L499-L503 HydrophobicContact CD1-CG 3.9Å; L499-L503 HydrophobicContact CD2-CD1 3.91Å; L499-L503 HydrophobicContact CG-CD1 3.7Å; L499-L503 HydrophobicContact CG-CG 3.93Å; L499-L503 PolarHBondContact O-N 2.87Å; K500-L503 PolarHBondContact O-N 2.81Å; L503-P508 WeakPolarHBondContact O-CD 3.47Å
504	L	79.2	Confident	80	Confident	45 Å²	45	31 Å²	31	24%	0.236	15%	0.149	C	C	.	.	I	π-helix	trans	-92.8	-17.3	-172.1	-58.9	177.9	0	0	0	114.2	L6 F159 F165 K500 P508	L6-L504 HydrophobicContact CD1-CD2 4.49Å; F159-L504 HydrophobicContact CE2-CD2 3.6Å; F159-L504 HydrophobicContact CZ-CD2 3.86Å; F165-L504 HydrophobicContact CD1-CD1 4.3Å; K500-L504 HydrophobicContact CB-CD1 4.34Å; K500-L504 HydrophobicContact CG-CD1 4.37Å; K500-L504 VanDerWaalsContact O-CB 3.26Å; K500-L504 WeakPolarHBondContact O-CB 3.39Å; K500-L504 WeakPolarHBondContact O-CG 3.49Å; K500-L504 PolarHBondContact O-N 2.92Å; L504-P508 VanDerWaalsContact O-CG 3.31Å; L504-P508 WeakPolarHBondContact O-CG 3.47Å
505	Y	83.3	Confident	79.4	Confident	126 Å²	126	30.9 Å²	30.9	49%	0.494	15%	0.148	S	C	.	.	I	π-helix	trans	-125.1	-56.3	-179.1	-179.6	-92.8	0	0	0	112.9	P501 R509	P501-Y505 WeakPolarHBondContact O-CB 3.32Å; P501-Y505 PolarHBondContact O-N 3.37Å; Y505-R509 WeakPolarHBondContact O-CB 3.39Å; Y505-R509 PolarHBondContact O-N 3Å; Y505-R509 VanDerWaalsContact O-N 3.16Å; Y505-R509 PolarHBondContact OH-NH1 2.86Å
506	W	84.8	Confident	78.6	Confident	23 Å²	23	34.3 Å²	34.3	9%	0.087	17%	0.171	C	C	.	.	I	π-helix	trans	-72.2	-46.2	-172.8	-68.8	106.6	0	0	0	113.3	F419 F422 I423 T426 L427 P501 L502 R509 F510	F419-W506 HydrophobicContact CE2-CB 4.07Å; F419-W506 HydrophobicContact CZ-CB 4.12Å; F422-W506 HydrophobicContact CE1-CE3 4.12Å; I423-W506 HydrophobicContact CG2-CB 4.18Å; I423-W506 HydrophobicContact CG2-CD2 4.41Å; I423-W506 HydrophobicContact CG2-CE3 4.29Å; I423-W506 HydrophobicContact CG2-CG 4.37Å; T426-W506 HydrophobicContact CG2-CH2 3.96Å; T426-W506 HydrophobicContact CG2-CZ3 4.13Å; T426-W506 WeakPolarHBondContact OG1-CH2 3.37Å; L427-W506 HydrophobicContact CB-CZ2 4.36Å; P501-W506 VanDerWaalsContact O-CD1 3.31Å; P501-W506 PolarHBondContact O-N 3.37Å; P501-W506 VanDerWaalsContact O-N 3.11Å; L502-W506 PolarHBondContact O-N 2.86Å; W506-R509 PolarHBondContact O-N 3.16Å; W506-F510 WeakPolarHBondContact O-CB 3.36Å; W506-F510 PolarHBondContact O-N 3.15Å
507	A	81.4	Confident	77.6	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-60.9	-52.6	177.5	0	0	0	0	0	113.2	V147 V150 I410 F419 L502 R509 F510 C511	V147-A507 HydrophobicContact CG1-CB 4.35Å; V150-A507 HydrophobicContact CB-CB 4.09Å; V150-A507 HydrophobicContact CG1-CB 3.98Å; V150-A507 HydrophobicContact CG2-CB 3.89Å; I410-A507 HydrophobicContact CD1-CB 4.08Å; F419-A507 HydrophobicContact CE2-CB 4.44Å; L502-A507 WeakPolarHBondContact O-CB 3.36Å; L502-A507 PolarHBondContact O-N 3.49Å; A507-R509 VanDerWaalsContact C-N 3.31Å; A507-R509 PolarHBondContact O-N 2.88Å; A507-F510 WeakPolarHBondContact O-CB 3.35Å; A507-F510 PolarHBondContact O-N 3.22Å; A507-C511 PolarHBondContact O-N 3.27Å; A507-C511 PolarHBondContact O-SG 3Å; A507-C511 VanDerWaalsContact O-SG 3.32Å
508	P	80.9	Confident	76.9	Confident	16 Å²	16	34.1 Å²	34.1	10%	0.104	18%	0.179	C	C	.	.	H	α-helix	trans	-58.9	-40.1	174.6	14.9	-26.8	0	0	0	112.7	W152 M157 L503 L504 F510 C511 V512	W152-P508 HydrophobicContact CE3-CB 4.34Å; W152-P508 HydrophobicContact CZ3-CB 4.24Å; M157-P508 HydrophobicContact CE-CB 3.8Å; M157-P508 HydrophobicContact CE-CG 3.95Å; M157-P508 HydrophobicContact SD-CB 3.82Å; L503-P508 WeakPolarHBondContact O-CD 3.47Å; L504-P508 VanDerWaalsContact O-CG 3.31Å; L504-P508 WeakPolarHBondContact O-CG 3.47Å; P508-F510 VanDerWaalsContact C-N 3.32Å; P508-F510 PolarHBondContact O-N 3.38Å; P508-C511 PolarHBondContact O-N 3.31Å; P508-V512 WeakPolarHBondContact O-CB 3.23Å; P508-V512 VanDerWaalsContact O-CG2 3.31Å; P508-V512 WeakPolarHBondContact O-CG2 3.4Å; P508-V512 PolarHBondContact O-N 3.08Å
509	R	79.2	Confident	76.3	Confident	118 Å²	118	39 Å²	39	45%	0.445	20%	0.2	S	C	.	.	H	α-helix	trans	-62.4	-38.8	177.9	-167.4	-178.7	-178.3	-176.4	-0.5	112	F422 Y505 W506 A507 T513	F422-R509 HydrophobicContact CZ-CB 4.46Å; F422-R509 HydrophobicContact CZ-CG 4.05Å; Y505-R509 WeakPolarHBondContact O-CB 3.39Å; Y505-R509 PolarHBondContact O-N 3Å; Y505-R509 VanDerWaalsContact O-N 3.16Å; Y505-R509 PolarHBondContact OH-NH1 2.86Å; W506-R509 PolarHBondContact O-N 3.16Å; A507-R509 VanDerWaalsContact C-N 3.31Å; A507-R509 PolarHBondContact O-N 2.88Å; R509-T513 WeakPolarHBondContact O-CG2 3.47Å; R509-T513 PolarHBondContact O-N 2.91Å; R509-T513 PolarHBondContact O-OG1 3.09Å; R509-T513 VanDerWaalsContact O-OG1 3.12Å
510	F	81.8	Confident	75.6	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-64.6	-46.6	172.3	174.4	-102.7	0	0	0	112.1	Y408 I410 E415 R418 F419 F422 W506 A507 P508 V512 T513 H514	Y408-F510 HydrophobicContact CE1-CD1 4.35Å; Y408-F510 AromaticContact CE1-CE1 3.99Å; Y408-F510 HydrophobicContact CE1-CE1 3.99Å; I410-F510 HydrophobicContact CD1-CD1 3.75Å; I410-F510 HydrophobicContact CD1-CE1 4.24Å; I410-F510 HydrophobicContact CG1-CD1 4.04Å; I410-F510 HydrophobicContact CG1-CE1 4.13Å; I410-F510 HydrophobicContact CG2-CE1 4.48Å; E415-F510 WeakPolarHBondContact O-CZ 3.33Å; R418-F510 HydrophobicContact CB-CE2 4Å; R418-F510 HydrophobicContact CB-CZ 3.79Å; F419-F510 HydrophobicContact CB-CD1 4.18Å; F419-F510 HydrophobicContact CB-CD2 4.34Å; F419-F510 HydrophobicContact CB-CE1 4.03Å; F419-F510 HydrophobicContact CB-CE2 4.2Å; F419-F510 HydrophobicContact CB-CG 4.33Å; F419-F510 HydrophobicContact CB-CZ 4.03Å; F419-F510 HydrophobicContact CD2-CB 3.76Å; F419-F510 HydrophobicContact CD2-CD1 4.03Å; F419-F510 HydrophobicContact CD2-CD2 4.21Å; F419-F510 AromaticContact CD2-CG 3.75Å; F419-F510 HydrophobicContact CD2-CG 3.75Å; F419-F510 HydrophobicContact CE2-CB 4.23Å; F422-F510 HydrophobicContact CB-CD2 3.74Å; F422-F510 HydrophobicContact CB-CE2 4.17Å; F422-F510 HydrophobicContact CD1-CB 3.77Å; F422-F510 AromaticContact CD1-CD2 3.86Å; F422-F510 HydrophobicContact CD1-CD2 3.86Å; F422-F510 HydrophobicContact CD1-CG 4.28Å; F422-F510 HydrophobicContact CD2-CD2 4.43Å; F422-F510 HydrophobicContact CE1-CB 3.83Å; F422-F510 HydrophobicContact CG-CB 4.48Å; F422-F510 AromaticContact CG-CD2 3.76Å; F422-F510 HydrophobicContact CG-CD2 3.76Å; W506-F510 WeakPolarHBondContact O-CB 3.36Å; W506-F510 PolarHBondContact O-N 3.15Å; A507-F510 WeakPolarHBondContact O-CB 3.35Å; A507-F510 PolarHBondContact O-N 3.22Å; P508-F510 VanDerWaalsContact C-N 3.32Å; P508-F510 PolarHBondContact O-N 3.38Å; F510-V512 VanDerWaalsContact C-N 3.3Å; F510-V512 PolarHBondContact O-N 3.11Å; F510-T513 PolarHBondContact O-N 3.22Å; F510-T513 PolarHBondContact O-OG1 2.8Å; F510-T513 VanDerWaalsContact O-OG1 3.08Å; F510-H514 AromaticContact CD2-CD2 3.35Å; F510-H514 WeakPolarHBondContact CD2-CD2 3.26Å; F510-H514 AromaticContact CD2-NE2 3.66Å; F510-H514 AromaticContact CE2-CD2 3.33Å; F510-H514 WeakPolarHBondContact CE2-CD2 3.23Å; F510-H514 AromaticContact CE2-CE1 3.92Å; F510-H514 AromaticContact CE2-CG 3.83Å; F510-H514 AromaticContact CE2-NE2 3.43Å; F510-H514 WeakPolarHBondContact CE2-NE2 3.32Å; F510-H514 WeakPolarHBondContact O-CB 3.27Å; F510-H514 PolarHBondContact O-CD2 3.11Å; F510-H514 PolarHBondContact O-N 3.17Å
511	C	76.8	Confident	74.9	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-61.8	-38.7	177.5	-63	0	0	0	0	112.2	W152 Y408 A507 P508 S515	W152-C511 HydrophobicContact CB-CB 3.55Å; W152-C511 HydrophobicContact CG-CB 4.15Å; Y408-C511 HydrophobicContact CD1-CB 3.82Å; A507-C511 PolarHBondContact O-N 3.27Å; A507-C511 PolarHBondContact O-SG 3Å; A507-C511 VanDerWaalsContact O-SG 3.32Å; P508-C511 PolarHBondContact O-N 3.31Å; C511-S515 WeakPolarHBondContact O-CB 3.4Å; C511-S515 PolarHBondContact O-N 3.32Å
512	V	75.6	Confident	74.2	Confident	49 Å²	49	49.7 Å²	49.7	30%	0.297	26%	0.256	S	S	.	.	H	α-helix	trans	-63.2	-49.7	174.6	169	0	0	0	0	111.5	W152 P508 F510 S515 T518	W152-V512 HydrophobicContact CD2-CG2 3.79Å; W152-V512 HydrophobicContact CE3-CG2 3.84Å; W152-V512 HydrophobicContact CH2-CG2 3.54Å; W152-V512 HydrophobicContact CZ2-CG2 3.48Å; W152-V512 VanDerWaalsContact CZ2-CG2 3.48Å; W152-V512 HydrophobicContact CZ3-CG2 3.71Å; P508-V512 WeakPolarHBondContact O-CB 3.23Å; P508-V512 VanDerWaalsContact O-CG2 3.31Å; P508-V512 WeakPolarHBondContact O-CG2 3.4Å; P508-V512 PolarHBondContact O-N 3.08Å; F510-V512 VanDerWaalsContact C-N 3.3Å; F510-V512 PolarHBondContact O-N 3.11Å; V512-S515 PolarHBondContact O-N 2.79Å; V512-S515 PolarHBondContact O-OG 3.12Å; V512-T518 WeakPolarHBondContact O-CB 3.4Å; V512-T518 PolarHBondContact O-OG1 3.11Å
513	T	71.3	Confident	73.6	Confident	53 Å²	53	52.4 Å²	52.4	33%	0.325	28%	0.278	S	S	.	.	H	α-helix	trans	-69.5	-33.5	-178.1	53.3	0	0	0	0	112.9	R509 F510	R509-T513 WeakPolarHBondContact O-CG2 3.47Å; R509-T513 PolarHBondContact O-N 2.91Å; R509-T513 PolarHBondContact O-OG1 3.09Å; R509-T513 VanDerWaalsContact O-OG1 3.12Å; F510-T513 PolarHBondContact O-N 3.22Å; F510-T513 PolarHBondContact O-OG1 2.8Å; F510-T513 VanDerWaalsContact O-OG1 3.08Å
514	H	68.9	Low	73.2	Confident	49 Å²	49	57.7 Å²	57.7	23%	0.227	30%	0.303	C	S	.	.	H	α-helix	trans	-88.9	-5.6	178.8	-71.3	-97.2	0	0	0	114.2	Y408 F510 K519	Y408-H514 HydrophobicContact CE1-CB 4.15Å; F510-H514 AromaticContact CD2-CD2 3.35Å; F510-H514 WeakPolarHBondContact CD2-CD2 3.26Å; F510-H514 AromaticContact CD2-NE2 3.66Å; F510-H514 AromaticContact CE2-CD2 3.33Å; F510-H514 WeakPolarHBondContact CE2-CD2 3.23Å; F510-H514 AromaticContact CE2-CE1 3.92Å; F510-H514 AromaticContact CE2-CG 3.83Å; F510-H514 AromaticContact CE2-NE2 3.43Å; F510-H514 WeakPolarHBondContact CE2-NE2 3.32Å; F510-H514 WeakPolarHBondContact O-CB 3.27Å; F510-H514 PolarHBondContact O-CD2 3.11Å; F510-H514 PolarHBondContact O-N 3.17Å; H514-K519 WeakPolarHBondContact O-CE 3.35Å; H514-K519 PolarHBondContact O-NZ 3.49Å
515	S	69.8	Low	72.8	Confident	5 Å²	5	60.4 Å²	60.4	4%	0.035	32%	0.317	C	S	.	.	S	Bend	trans	-60.1	148.8	172.2	73.5	0	0	0	0	112.8	C511 V512 S517 T518 K519	C511-S515 WeakPolarHBondContact O-CB 3.4Å; C511-S515 PolarHBondContact O-N 3.32Å; V512-S515 PolarHBondContact O-N 2.79Å; V512-S515 PolarHBondContact O-OG 3.12Å; S515-S517 VanDerWaalsContact C-N 3.32Å; S515-S517 PolarHBondContact O-N 3.06Å; S515-S517 PolarHBondContact OG-OG 3.07Å; S515-T518 PolarHBondContact O-N 2.69Å; S515-T518 PolarHBondContact OG-N 3.3Å; S515-T518 PolarHBondContact OG-OG1 3.3Å; S515-K519 WeakPolarHBondContact O-CG 3.5Å; S515-K519 PolarHBondContact O-N 3.23Å; S515-K519 VanDerWaalsContact O-N 3.1Å
516	P	64	Low	72.5	Confident	83 Å²	83	61.6 Å²	61.6	54%	0.539	32%	0.324	S	S	.	.	H	α-helix	trans	-65.6	-31.3	-177.3	25	-33.8	0	0	0	113.4	K519 Y520	P516-K519 PolarHBondContact O-N 3.31Å; P516-Y520 PolarHBondContact O-N 3.26Å
517	S	61	Low	71.8	Confident	76 Å²	76	66 Å²	66	53%	0.531	34%	0.344	S	S	.	.	H	α-helix	trans	-64.6	-45.4	175.3	38.6	0	0	0	0	112.3	S515 K519 Y520 A521	S515-S517 VanDerWaalsContact C-N 3.32Å; S515-S517 PolarHBondContact O-N 3.06Å; S515-S517 PolarHBondContact OG-OG 3.07Å; S517-K519 VanDerWaalsContact C-N 3.34Å; S517-Y520 PolarHBondContact O-N 3.43Å; S517-A521 PolarHBondContact O-N 3.11Å
518	T	62.6	Low	71.5	Confident	47 Å²	47	72.3 Å²	72.3	29%	0.288	37%	0.368	S	S	.	.	H	α-helix	trans	-70.4	-33.2	178.6	-51.6	0	0	0	0	111.5	V512 S515 S522	V512-T518 WeakPolarHBondContact O-CB 3.4Å; V512-T518 PolarHBondContact O-OG1 3.11Å; S515-T518 PolarHBondContact O-N 2.69Å; S515-T518 PolarHBondContact OG-N 3.3Å; S515-T518 PolarHBondContact OG-OG1 3.3Å; T518-S522 VanDerWaalsContact O-CB 3.24Å; T518-S522 WeakPolarHBondContact O-CB 3.27Å; T518-S522 PolarHBondContact O-N 3.47Å; T518-S522 PolarHBondContact O-OG 3.24Å
519	K	71.1	Confident	70.8	Confident	103 Å²	103	76.9 Å²	76.9	45%	0.448	39%	0.388	S	S	.	.	H	α-helix	trans	-62.2	-43.1	171	-76.1	167	173.1	158.9	0	112.4	H514 S515 P516 S517 S522 A523	H514-K519 WeakPolarHBondContact O-CE 3.35Å; H514-K519 PolarHBondContact O-NZ 3.49Å; S515-K519 WeakPolarHBondContact O-CG 3.5Å; S515-K519 PolarHBondContact O-N 3.23Å; S515-K519 VanDerWaalsContact O-N 3.1Å; P516-K519 PolarHBondContact O-N 3.31Å; S517-K519 VanDerWaalsContact C-N 3.34Å; K519-S522 PolarHBondContact O-OG 2.65Å; K519-A523 WeakPolarHBondContact O-CB 3.37Å; K519-A523 PolarHBondContact O-N 2.86Å
520	Y	68.9	Low	70.4	Confident	162 Å²	162	76 Å²	76	64%	0.635	39%	0.392	S	S	*	.	H	α-helix	trans	-62.5	-55.1	174.4	-176.9	-85.1	0	0	0	111.3	P516 S517 S522 A523 E524	P516-Y520 PolarHBondContact O-N 3.26Å; S517-Y520 PolarHBondContact O-N 3.43Å; Y520-S522 VanDerWaalsContact C-N 3.32Å; Y520-S522 PolarHBondContact O-N 3.41Å; Y520-A523 WeakPolarHBondContact O-CB 3.36Å; Y520-A523 PolarHBondContact O-N 2.7Å; Y520-A523 VanDerWaalsContact O-N 3.09Å; Y520-E524 WeakPolarHBondContact CE1-OE2 3.29Å; Y520-E524 PolarHBondContact O-N 3.14Å
521	A	64.7	Low	69.5	Low	44 Å²	44	84 Å²	84	36%	0.364	42%	0.422	S	S	.	.	H	α-helix	trans	-61.4	-36.8	-178.4	0	0	0	0	0	113.1	S517 E524 L525	S517-A521 PolarHBondContact O-N 3.11Å; A521-E524 PolarHBondContact O-N 2.88Å; A521-L525 WeakPolarHBondContact O-CB 3.45Å; A521-L525 WeakPolarHBondContact O-CG 3.38Å; A521-L525 PolarHBondContact O-N 3.28Å
522	S	68.8	Low	68.8	Low	44 Å²	44	88.8 Å²	88.8	31%	0.308	44%	0.444	S	S	.	.	H	α-helix	trans	-75.9	-25.1	176.3	61.8	0	0	0	0	113.7	T518 K519 Y520 K526	T518-S522 VanDerWaalsContact O-CB 3.24Å; T518-S522 WeakPolarHBondContact O-CB 3.27Å; T518-S522 PolarHBondContact O-N 3.47Å; T518-S522 PolarHBondContact O-OG 3.24Å; K519-S522 PolarHBondContact O-OG 2.65Å; Y520-S522 VanDerWaalsContact C-N 3.32Å; Y520-S522 PolarHBondContact O-N 3.41Å; S522-K526 WeakPolarHBondContact O-CB 3.34Å; S522-K526 WeakPolarHBondContact O-CD 3.41Å; S522-K526 WeakPolarHBondContact O-CG 3.47Å; S522-K526 PolarHBondContact O-N 3.43Å; S522-K526 VanDerWaalsContact O-N 3.08Å
523	A	70.6	Confident	68.2	Low	57 Å²	57	90.4 Å²	90.4	47%	0.471	46%	0.463	S	S	.	.	H	α-helix	trans	-70.2	-42.6	167.6	0	0	0	0	0	111.1	K519 Y520 K526 F527	K519-A523 WeakPolarHBondContact O-CB 3.37Å; K519-A523 PolarHBondContact O-N 2.86Å; Y520-A523 WeakPolarHBondContact O-CB 3.36Å; Y520-A523 PolarHBondContact O-N 2.7Å; Y520-A523 VanDerWaalsContact O-N 3.09Å; A523-K526 PolarHBondContact O-N 3.31Å; A523-F527 WeakPolarHBondContact O-CB 3.48Å; A523-F527 PolarHBondContact O-N 3.19Å
524	E	72	Confident	67.2	Low	112 Å²	112	94.5 Å²	94.5	52%	0.523	48%	0.476	S	S	.	.	H	α-helix	trans	-63.1	-44.1	176.2	-171.8	164.5	-146.2	0	0	112	Y520 A521 F527 W528	Y520-E524 WeakPolarHBondContact CE1-OE2 3.29Å; Y520-E524 PolarHBondContact O-N 3.14Å; A521-E524 PolarHBondContact O-N 2.88Å; E524-F527 PolarHBondContact O-N 3.47Å; E524-W528 WeakPolarHBondContact O-CB 3.46Å; E524-W528 PolarHBondContact O-N 3.47Å
525	L	71.8	Confident	66.3	Low	102 Å²	102	97.8 Å²	97.8	53%	0.534	50%	0.502	S	S	.	.	H	α-helix	trans	-63	-41.8	172.5	-74.4	169.3	0	0	0	112.7	A521 F527 W528 H529	A521-L525 WeakPolarHBondContact O-CB 3.45Å; A521-L525 WeakPolarHBondContact O-CG 3.38Å; A521-L525 PolarHBondContact O-N 3.28Å; L525-F527 VanDerWaalsContact C-N 3.32Å; L525-F527 PolarHBondContact O-N 3.37Å; L525-W528 WeakPolarHBondContact O-CB 3.41Å; L525-W528 PolarHBondContact O-N 2.9Å; L525-H529 PolarHBondContact O-CD2 3.23Å; L525-H529 PolarHBondContact O-N 3.03Å
526	K	76.9	Confident	65.4	Low	150 Å²	150	106 Å²	106	65%	0.652	53%	0.532	S	S	*	.	H	α-helix	trans	-62.3	-40.1	174.2	-77.9	168.7	-177.2	174.4	0	111.8	S522 A523 H529 L530	S522-K526 WeakPolarHBondContact O-CB 3.34Å; S522-K526 WeakPolarHBondContact O-CD 3.41Å; S522-K526 WeakPolarHBondContact O-CG 3.47Å; S522-K526 PolarHBondContact O-N 3.43Å; S522-K526 VanDerWaalsContact O-N 3.08Å; A523-K526 PolarHBondContact O-N 3.31Å; K526-H529 PolarHBondContact O-N 3.5Å; K526-L530 VanDerWaalsContact O-CB 3.29Å; K526-L530 WeakPolarHBondContact O-CB 3.43Å; K526-L530 PolarHBondContact O-N 3.32Å
527	F	69.4	Low	64.8	Low	115 Å²	115	111.6 Å²	111.6	50%	0.504	55%	0.548	S	S	.	.	H	α-helix	trans	-67.4	-36.6	175.8	-173.2	-118	0	0	0	111.9	A523 E524 L525 L530 R531	A523-F527 WeakPolarHBondContact O-CB 3.48Å; A523-F527 PolarHBondContact O-N 3.19Å; E524-F527 PolarHBondContact O-N 3.47Å; L525-F527 VanDerWaalsContact C-N 3.32Å; L525-F527 PolarHBondContact O-N 3.37Å; F527-L530 PolarHBondContact O-N 2.95Å; F527-R531 VanDerWaalsContact CE1-NE 3.32Å; F527-R531 WeakPolarHBondContact O-CG 3.42Å; F527-R531 PolarHBondContact O-N 3.48Å
528	W	75.8	Confident	64.2	Low	133 Å²	133	115.5 Å²	115.5	50%	0.504	56%	0.563	S	S	.	*	H	α-helix	trans	-63.4	-50.6	171.3	-174.3	96.1	0	0	0	111.7	E524 L525 L530 R531 Q532	E524-W528 WeakPolarHBondContact O-CB 3.46Å; E524-W528 PolarHBondContact O-N 3.47Å; L525-W528 WeakPolarHBondContact O-CB 3.41Å; L525-W528 PolarHBondContact O-N 2.9Å; W528-L530 VanDerWaalsContact C-N 3.3Å; W528-L530 PolarHBondContact O-N 3Å; W528-R531 WeakPolarHBondContact O-CA 3.46Å; W528-R531 WeakPolarHBondContact O-CB 3.44Å; W528-R531 PolarHBondContact O-N 3.1Å; W528-Q532 HydrophobicContact CD2-CG 4.15Å; W528-Q532 HydrophobicContact CE3-CG 3.97Å; W528-Q532 HydrophobicContact CH2-CG 3.91Å; W528-Q532 HydrophobicContact CZ2-CG 4.1Å; W528-Q532 HydrophobicContact CZ3-CG 3.84Å; W528-Q532 PolarHBondContact O-N 3.35Å
529	H	65.3	Low	63.4	Low	113 Å²	113	118.7 Å²	118.7	52%	0.523	58%	0.577	S	S	.	*	H	α-helix	trans	-59.7	-39.5	175.3	-74.9	-67.7	0	0	0	112.2	L525 K526 R531 Q532 A533	L525-H529 PolarHBondContact O-CD2 3.23Å; L525-H529 PolarHBondContact O-N 3.03Å; K526-H529 PolarHBondContact O-N 3.5Å; H529-R531 VanDerWaalsContact C-N 3.26Å; H529-R531 PolarHBondContact O-N 3.46Å; H529-Q532 PolarHBondContact O-N 3.03Å; H529-A533 WeakPolarHBondContact O-CB 3.46Å; H529-A533 PolarHBondContact O-N 3.5Å
530	L	71.3	Confident	62	Low	99 Å²	99	118.7 Å²	118.7	52%	0.518	58%	0.582	S	S	.	*	H	α-helix	trans	-66.2	-27	176.1	-172.1	64.6	0	0	0	112.9	K526 F527 W528	K526-L530 VanDerWaalsContact O-CB 3.29Å; K526-L530 WeakPolarHBondContact O-CB 3.43Å; K526-L530 PolarHBondContact O-N 3.32Å; F527-L530 PolarHBondContact O-N 2.95Å; W528-L530 VanDerWaalsContact C-N 3.3Å; W528-L530 PolarHBondContact O-N 3Å
531	R	63.4	Low	61	Low	168 Å²	168	116.2 Å²	116.2	63%	0.634	59%	0.586	S	S	*	*	H	α-helix	trans	-74.7	-36	170.7	-75.5	172.3	170.4	-155.1	-6	112.5	F527 W528 H529	F527-R531 VanDerWaalsContact CE1-NE 3.32Å; F527-R531 WeakPolarHBondContact O-CG 3.42Å; F527-R531 PolarHBondContact O-N 3.48Å; W528-R531 WeakPolarHBondContact O-CA 3.46Å; W528-R531 WeakPolarHBondContact O-CB 3.44Å; W528-R531 PolarHBondContact O-N 3.1Å; H529-R531 VanDerWaalsContact C-N 3.26Å; H529-R531 PolarHBondContact O-N 3.46Å
532	Q	62.8	Low	59.7	Low	101 Å²	101	121.8 Å²	121.8	47%	0.472	60%	0.602	S	S	.	*	H	α-helix	trans	-74.7	-33.8	175.8	-55.9	-62.8	10.4	0	0	112.5	W528 H529 K534	W528-Q532 HydrophobicContact CD2-CG 4.15Å; W528-Q532 HydrophobicContact CE3-CG 3.97Å; W528-Q532 HydrophobicContact CH2-CG 3.91Å; W528-Q532 HydrophobicContact CZ2-CG 4.1Å; W528-Q532 HydrophobicContact CZ3-CG 3.84Å; W528-Q532 PolarHBondContact O-N 3.35Å; H529-Q532 PolarHBondContact O-N 3.03Å; Q532-K534 PolarHBondContact O-N 3.28Å
533	A	62.3	Low	58.1	Low	83 Å²	83	124.7 Å²	124.7	69%	0.686	62%	0.62	S	S	*	*	S	Bend	trans	-75.8	-6.8	-180	0	0	0	0	0	114.2	H529	H529-A533 WeakPolarHBondContact O-CB 3.46Å; H529-A533 PolarHBondContact O-N 3.5Å
534	K	50.6	Low	56.6	Low	139 Å²	139	130.8 Å²	130.8	60%	0.604	64%	0.638	S	S	*	*	S	Bend	trans	-100.4	127	170.4	-73.5	-177.1	176.3	-173.3	0	108.8	Q532 R536	Q532-K534 PolarHBondContact O-N 3.28Å; K534-R536 PolarHBondContact O-N 2.91Å
535	P	49.3	Very low	54.6	Low	118 Å²	118	133.5 Å²	133.5	77%	0.766	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-60.3	138.5	171.9	26.3	-33.6	0	0	0	109.6	K537	P535-K537 PolarHBondContact O-N 2.92Å
536	R	51.2	Low	53	Low	178 Å²	178	132.9 Å²	132.9	67%	0.672	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-67	117.6	175.5	-64.9	-176.6	-174	175	4.5	108.3	K534 D538 I539	K534-R536 PolarHBondContact O-N 2.91Å; R536-D538 PolarHBondContact O-N 3.36Å; R536-I539 HydrophobicContact CB-CD1 4.07Å; R536-I539 HydrophobicContact CB-CG1 4.18Å
537	K	50.5	Low	50.9	Low	200 Å²	200	131.4 Å²	131.4	87%	0.87	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.1	-14	177.1	-67.4	-168.1	173.9	-168.8	0	113	P535 I539	P535-K537 PolarHBondContact O-N 2.92Å; K537-I539 VanDerWaalsContact C-N 3.26Å; K537-I539 PolarHBondContact O-N 3.17Å
538	D	49.6	Very low	49.4	Very low	157 Å²	157	133.8 Å²	133.8	84%	0.84	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.9	25.5	-175.2	-37.4	-59.5	0	0	0	112.5	R536	R536-D538 PolarHBondContact O-N 3.36Å
539	I	45	Very low	47.4	Very low	114 Å²	114	134.3 Å²	134.3	59%	0.585	70%	0.695	S	S	*	*	S	Bend	trans	-121.7	112.1	172.8	-57.6	179.6	0	0	0	107.1	R536 K537	R536-I539 HydrophobicContact CB-CD1 4.07Å; R536-I539 HydrophobicContact CB-CG1 4.18Å; K537-I539 VanDerWaalsContact C-N 3.26Å; K537-I539 PolarHBondContact O-N 3.17Å
540	D	41.3	Very low	46	Very low	104 Å²	104	134.4 Å²	134.4	56%	0.556	71%	0.706	S	S	*	*			trans	-63.3	126.9	171.9	-167.7	-32.2	0	0	0	109.2	F542	D540-F542 PolarHBondContact O-N 3.45Å; D540-F542 VanDerWaalsContact O-N 3.15Å; D540-F542 PolarHBondContact OD1-N 3.01Å
541	P	47.4	Very low	44.1	Very low	110 Å²	110	138.2 Å²	138.2	71%	0.714	73%	0.726	S	S	*	*	S	Bend	trans	-62.9	-14.4	175.9	26.1	-34.9	0	0	0	113.6	P543	P541-P543 WeakPolarHBondContact O-CD 3.45Å
542	F	38	Very low	42.8	Very low	160 Å²	160	141.2 Å²	141.2	70%	0.702	74%	0.737	S	S	*	*	S	Bend	trans	-117.6	86.1	175	-62.1	-76.9	0	0	0	111	D540 Q544	D540-F542 PolarHBondContact O-N 3.45Å; D540-F542 VanDerWaalsContact O-N 3.15Å; D540-F542 PolarHBondContact OD1-N 3.01Å; F542-Q544 PolarHBondContact O-N 3.19Å; F542-Q544 VanDerWaalsContact O-N 3.12Å
543	P	36.5	Very low	41.5	Very low	105 Å²	105	142 Å²	142	68%	0.682	75%	0.751	S	S	*	*			trans	-58.4	121.1	169	25.5	-33.6	0	0	0	109.2	P541 M545	P541-P543 WeakPolarHBondContact O-CD 3.45Å; P543-M545 PolarHBondContact O-N 3.03Å
544	Q	37.3	Very low	40.1	Very low	185 Å²	185	148.3 Å²	148.3	86%	0.864	76%	0.764	S	S	*	*			trans	-62.2	100.9	-179.6	-69.7	-173.6	-1.1	0	0	110.1	F542 A546	F542-Q544 PolarHBondContact O-N 3.19Å; F542-Q544 VanDerWaalsContact O-N 3.12Å; Q544-A546 PolarHBondContact O-N 3.08Å; Q544-A546 VanDerWaalsContact O-N 3.09Å
545	M	32	Very low	39.3	Very low	169 Å²	169	146.5 Å²	146.5	83%	0.833	77%	0.768	S	S	*	*			trans	-61	112.5	173.5	-73.5	172.8	57	0	0	108.9	P543 T547	P543-M545 PolarHBondContact O-N 3.03Å; M545-T547 PolarHBondContact O-N 3.27Å; M545-T547 PolarHBondContact O-OG1 3.29Å
546	A	37.3	Very low	38.4	Very low	89 Å²	89	146.8 Å²	146.8	74%	0.736	77%	0.771	S	S	*	*			trans	-66.3	99	171.5	0	0	0	0	0	108.8	Q544 L548	Q544-A546 PolarHBondContact O-N 3.08Å; Q544-A546 VanDerWaalsContact O-N 3.09Å; A546-L548 PolarHBondContact O-N 3.38Å
547	T	33.4	Very low	37.5	Very low	120 Å²	120	145.9 Å²	145.9	74%	0.736	78%	0.778	S	S	*	*			trans	-67.4	91.5	-175.5	-37.7	0	0	0	0	110.6	M545 L549	M545-T547 PolarHBondContact O-N 3.27Å; M545-T547 PolarHBondContact O-OG1 3.29Å; T547-L549 VanDerWaalsContact C-N 3.28Å; T547-L549 PolarHBondContact O-N 2.89Å
548	L	36.5	Very low	36.4	Very low	165 Å²	165	141.8 Å²	141.8	86%	0.864	77%	0.772	S	S	*	*			trans	-68.2	86.8	172.7	-67.7	179.3	0	0	0	109.6	A546	A546-L548 PolarHBondContact O-N 3.38Å
549	L	33.8	Very low	35.3	Very low	143 Å²	143	142.8 Å²	142.8	75%	0.749	77%	0.772	S	S	*	*			trans	-57.4	130.5	173.7	-72	174.7	0	0	0	110.1	T547 L551	T547-L549 VanDerWaalsContact C-N 3.28Å; T547-L549 PolarHBondContact O-N 2.89Å; L549-L551 PolarHBondContact O-N 3.05Å
550	P	36	Very low	34.6	Very low	116 Å²	116	145 Å²	145	75%	0.753	78%	0.783	S	S	*	*			trans	-60.1	124.6	178.5	-25.1	34.4	0	0	0	111.9	R552	P550-R552 PolarHBondContact O-N 2.92Å
551	L	32.4	Very low	34.1	Very low	178 Å²	178	145.8 Å²	145.8	93%	0.932	79%	0.794	S	S	*	*			trans	-66.2	96.3	174.5	-69.2	172.6	0	0	0	110.2	L549	L549-L551 PolarHBondContact O-N 3.05Å
552	R	36.7	Very low	33	Very low	231 Å²	231	148.6 Å²	148.6	87%	0.872	80%	0.798	S	S	*	*			trans	-76.6	143.4	166.5	-78.4	-170.3	173.1	-177.7	-0.7	110.7	P550	P550-R552 PolarHBondContact O-N 2.92Å
553	P	33.8	Very low	32.5	Very low	118 Å²	118	147 Å²	147	77%	0.766	80%	0.795	S	S	*	*			trans	-60.6	151.1	178.8	-24.1	34.6	0	0	0	113.6	S555	P553-S555 PolarHBondContact O-N 3.41Å
554	K	33.4	Very low	32	Very low	216 Å²	216	150 Å²	150	94%	0.939	80%	0.8	S	S	*	*			trans	-79.1	107.5	171.4	-68.5	-177.9	178.6	-179.3	0	110.7
555	S	33.3	Very low	31.6	Very low	100 Å²	100	148.8 Å²	148.8	70%	0.699	79%	0.792	S	S	*	*			trans	-155.9	155.9	161.4	52.8	0	0	0	0	111.9	P553	P553-S555 PolarHBondContact O-N 3.41Å
556	C	30.9	Very low	31.2	Very low	124 Å²	124	147.3 Å²	147.3	84%	0.838	78%	0.783	S	S	*	*			trans	67.4	97.7	170.5	-56.9	0	0	0	0	117.7
557	I	31.6	Very low	30.5	Very low	159 Å²	159	151.5 Å²	151.5	82%	0.815	79%	0.788	S	S	*	*			trans	-90.4	140	161.1	-67	164.4	0	0	0	108.8	Q559	I557-Q559 HydrophobicContact CG2-CG 4.31Å; I557-Q559 VanDerWaalsContact CG2-N 3.35Å
558	P	28.3	Very low	30.1	Very low	115 Å²	115	154.3 Å²	154.3	75%	0.747	79%	0.79	S	S	*	*			trans	-127.2	108.5	133	32.7	-22.1	0	0	0	109.3
559	Q	27.1	Very low	29.4	Very low	178 Å²	178	151.3 Å²	151.3	83%	0.832	78%	0.783	S	S	*	*				49.3	103.3	91.9	-76.5	-165.1	-14.3	0	0	114.2	I557	I557-Q559 HydrophobicContact CG2-CG 4.31Å; I557-Q559 VanDerWaalsContact CG2-N 3.35Å
560	I	29.7	Very low	29.1	Very low	159 Å²	159	152 Å²	152	82%	0.815	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-94.9	130.4	165.3	-64.1	163.7	0	0	0	107.6
561	P	29.9	Very low	28.5	Very low	122 Å²	122	151.4 Å²	151.4	79%	0.792	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-82.5	148.2	164.1	-10.9	28.7	0	0	0	112
562	E	25.1	Very low	28.4	Very low	168 Å²	168	151.2 Å²	151.2	79%	0.785	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-94.1	151.9	-174.9	-88.6	-175.8	115.1	0	0	115.2
563	I	28.3	Very low	28.7	Very low	127 Å²	127	145.5 Å²	145.5	65%	0.651	77%	0.772	S	S	*	*			trans	62.1	105.4	140.4	-64.1	164.3	0	0	0	119.4
564	Q	26.2	Very low	28.7	Very low	167 Å²	167	145.5 Å²	145.5	78%	0.78	77%	0.772	S	S	*	*				-171.6	128.7	116.8	-101.4	159.4	97.6	0	0	110.7
565	K	27.2	Very low	28.4	Very low	160 Å²	160	144.4 Å²	144.4	70%	0.696	77%	0.767	S	S	*	*				54.1	132	101.4	-70.9	179.2	162.1	-99.1	0	114.1
566	E	25	Very low	28.1	Very low	138 Å²	138	145 Å²	145	65%	0.645	77%	0.771	S	S	*	*			cis	-148.3	159.8	-1.9	-107.9	145.7	-168.9	0	0	107.1
567	E	22.7	Very low	27.8	Very low	178 Å²	178	143 Å²	143	83%	0.832	76%	0.758	S	S	*	*				-161.5	153.1	81.2	-77.7	-175.2	135.2	0	0	113.7
568	F	23.7	Very low	27.4	Very low	178 Å²	178	142.3 Å²	142.3	78%	0.781	76%	0.757	S	S	*	*			trans	0.1	142.4	143	-62.9	-81.8	0	0	0	120
569	S	22.8	Very low	27.3	Very low	102 Å²	102	146.2 Å²	146.2	71%	0.713	76%	0.762	S	S	*	*			cis	-150.8	154.7	17.4	-84.2	0	0	0	0	116.5
570	L	26.8	Very low	27.6	Very low	157 Å²	157	143.1 Å²	143.1	82%	0.822	76%	0.76	S	S	*	*			trans	-24.6	161.6	145.8	-60.6	162.4	0	0	0	117.5
571	S	23.2	Very low	27.7	Very low	104 Å²	104	141.6 Å²	141.6	73%	0.727	76%	0.76	S	S	*	*			cis	-176.2	160.9	-17	55.1	0	0	0	0	111.1
572	Q	30.4	Very low	27.3	Very low	175 Å²	175	138.9 Å²	138.9	82%	0.818	75%	0.754	S	S	*	*			trans	-79.8	-174.9	163.9	-61.3	-170.1	-5.4	0	0	111.8
573	P	42.5	Very low	27.2	Very low	111 Å²	111	136.9 Å²	136.9	72%	0.721	75%	0.753	S	S	*	*			cis	-119.1	-113.8	-6.2	35.9	-12.7	0	0	0	111.8
574	P	33.8	Very low	27	Very low	118 Å²	118	139.7 Å²	139.7	77%	0.766	76%	0.761	S	S	*	*			cis	-116.2	-105.7	-0.3	38.8	-19.9	0	0	0	115.7
575	K	27.9	Very low	26.9	Very low	193 Å²	193	137.3 Å²	137.3	84%	0.839	76%	0.763	S	S	*	*			trans	-159.4	-175.4	-171.2	-65.9	178.2	178.8	171.6	0	110.4
576	S	26.2	Very low	26.6	Very low	112 Å²	112	133.5 Å²	133.5	78%	0.783	76%	0.761	S	S	*	*			trans	89.8	160	151.1	101.3	0	0	0	0	116.6
577	S	24.3	Very low	26.6	Very low	81 Å²	81	132.9 Å²	132.9	57%	0.566	77%	0.767	S	S	*	*			cis	-174.1	167.9	-20.4	45.2	0	0	0	0	112.3
578	N	23.4	Very low	26.6	Very low	145 Å²	145	132.2 Å²	132.2	78%	0.775	76%	0.764	S	S	*	*			trans	71.3	162.9	163.4	-48.1	-44.5	0	0	0	115.2
579	K	26.4	Very low	27.1	Very low	198 Å²	198	132.9 Å²	132.9	86%	0.861	77%	0.766	S	S	*	*			cis	-142.4	153.3	17.9	-62.2	166.2	-178.4	173.4	0	112.2
580	S	33.4	Very low	27.3	Very low	112 Å²	112	134.5 Å²	134.5	78%	0.783	77%	0.774	S	S	*	*			trans	-97.2	151.3	145.2	61.1	0	0	0	0	108.2
581	P	32.7	Very low	26.9	Very low	127 Å²	127	137.7 Å²	137.7	83%	0.825	78%	0.775	S	S	*	*				-135.2	-176.4	73.6	29.5	-8.7	0	0	0	112.2
582	G	21.4	Very low	26.9	Very low	65 Å²	65	140.8 Å²	140.8	67%	0.67	78%	0.776	S	S	*	*			cis	142.4	166.6	-4.3	0	0	0	0	0	112.3
583	V	22.6	Very low	26.4	Very low	126 Å²	126	138.2 Å²	138.2	76%	0.764	78%	0.777	S	S	*	*			trans	76.7	107.3	167.2	-172.9	0	0	0	0	118.5
584	K	23.6	Very low	25.4	Very low	187 Å²	187	137.3 Å²	137.3	81%	0.813	78%	0.779	S	S	*	*			trans	44.9	136.9	135.3	-46.3	170.8	-166.3	171.8	0	118.8
585	S	24.2	Very low	24.8	Very low	117 Å²	117	138.8 Å²	138.8	82%	0.818	78%	0.78	S	S	*	*				-163.7	169.2	56.6	-63.8	0	0	0	0	115.8
586	A	22.2	Very low	24.5	Very low	80 Å²	80	136.3 Å²	136.3	66%	0.661	78%	0.775	S	S	*	*			trans	-50.4	168.3	171.7	0	0	0	0	0	115.3
587	T	24.9	Very low	24.3	Very low	124 Å²	124	140.8 Å²	140.8	76%	0.761	78%	0.776	S	S	*	*				-160.5	128	77.4	-65.9	0	0	0	0	114.6
588	Q	22.6	Very low	24.6	Very low	165 Å²	165	142 Å²	142	77%	0.771	78%	0.782	S	S	*	*			trans	19.9	124.4	139.1	-49	177.9	13.2	0	0	118.5
589	K	34.3	Very low	24.5	Very low	191 Å²	191	142.1 Å²	142.1	83%	0.83	78%	0.783	S	S	*	*				52.2	129.7	81.4	-72.6	-170.3	175.9	-176	0	114.3
590	P	26	Very low	24.3	Very low	136 Å²	136	137.6 Å²	137.6	88%	0.883	78%	0.776	S	S	*	*				-137	-155.5	103.8	40.5	-29.4	0	0	0	114.3
591	W	19.8	Very low	23.7	Very low	224 Å²	224	136.6 Å²	136.6	85%	0.848	77%	0.769	S	S	*	*			trans	-153.9	160.2	-151.2	-148	-4	0	0	0	110.7
592	K	21.5	Very low	23.3	Very low	170 Å²	170	139 Å²	139	74%	0.739	77%	0.767	S	S	*	*			trans	70.3	116.4	162.2	-59.3	176.8	-178.1	-178.3	0	117
593	S	21.5	Very low	23.4	Very low	120 Å²	120	141.6 Å²	141.6	84%	0.839	77%	0.765	S	S	*	*				77.3	102	74	-174.8	0	0	0	0	115.3
594	A	20.1	Very low	23.4	Very low	92 Å²	92	142.8 Å²	142.8	76%	0.76	76%	0.762	S	S	*	*			trans	168.7	161.5	155.2	0	0	0	0	0	109.3
595	L	21.9	Very low	23.4	Very low	150 Å²	150	139 Å²	139	79%	0.785	75%	0.754	S	S	*	*			cis	-164.1	157.6	-29	-103.7	173.3	0	0	0	107.5
596	L	20.7	Very low	23.4	Very low	140 Å²	140	140 Å²	140	73%	0.733	75%	0.749	S	S	*	*			trans	54.5	124.6	151.9	-63.7	164.7	0	0	0	122.5
597	Y	23.6	Very low	23.4	Very low	207 Å²	207	142.1 Å²	142.1	81%	0.812	75%	0.745	S	S	*	*				9.2	143.6	121.5	-72.1	-76.2	0	0	0	119.8
598	P	30.1	Very low	23.4	Very low	107 Å²	107	144.4 Å²	144.4	70%	0.695	74%	0.744	S	S	*	*				-137.1	139.4	81.4	41.4	-28.3	0	0	0	114.4
599	D	20.4	Very low	23.4	Very low	146 Å²	146	140.4 Å²	140.4	78%	0.781	75%	0.747	S	S	*	*				83.3	156.4	107.5	-76.6	-27.1	0	0	0	114.6
600	S	22.4	Very low	22.9	Very low	103 Å²	103	136.3 Å²	136.3	72%	0.72	74%	0.743	S	S	*	*			cis	-167.7	169.1	-11.4	50.6	0	0	0	0	106.8
601	S	22.2	Very low	22.8	Very low	91 Å²	91	139 Å²	139	64%	0.636	74%	0.741	S	S	*	*			cis	-170.4	178.9	-22.4	52.9	0	0	0	0	107.6
602	K	24.2	Very low	23	Very low	179 Å²	179	137.4 Å²	137.4	78%	0.778	74%	0.742	S	S	*	*			trans	69.3	159.5	167.9	-59.3	-173.7	-179	-174.6	0	115.6
603	D	22.4	Very low	23.2	Very low	118 Å²	118	136 Å²	136	63%	0.631	75%	0.747	S	S	*	*			cis	-171.8	162.8	-20.4	-93.7	-21.4	0	0	0	106.6
604	H	22.4	Very low	23.2	Very low	152 Å²	152	135.5 Å²	135.5	70%	0.704	74%	0.744	S	S	*	*			cis	-165.3	162.9	-1.9	-128.7	40.4	0	0	0	110
605	V	23.2	Very low	23.4	Very low	106 Å²	106	140.7 Å²	140.7	64%	0.642	75%	0.753	S	S	*	*			trans	72.2	118.1	136.1	159.5	0	0	0	0	124.2
606	I	24.3	Very low	23.6	Very low	138 Å²	138	138.5 Å²	138.5	71%	0.708	75%	0.75	S	S	*	*			trans	70.1	138.8	134.4	-67.9	-171.8	0	0	0	119.8
607	E	22.9	Very low	23.7	Very low	125 Å²	125	137 Å²	137	58%	0.584	75%	0.751	S	S	*	*			cis	-158.2	169.1	-4.3	-117.7	-176.1	178.1	0	0	114.9
608	K	24.2	Very low	23.7	Very low	172 Å²	172	134.3 Å²	134.3	75%	0.748	75%	0.751	S	S	*	*			trans	23.3	117.2	150.7	-60.6	162	-167.4	148.3	0	118.3
609	G	22.7	Very low	23.4	Very low	81 Å²	81	134.4 Å²	134.4	84%	0.835	75%	0.749	S	S	*	*				121.7	163.6	77.2	0	0	0	0	0	109.8
610	S	23.5	Very low	23.6	Very low	106 Å²	106	135 Å²	135	74%	0.741	75%	0.751	S	S	*	*			cis	-153.5	140.3	2.1	161.3	0	0	0	0	110.7
611	K	24.2	Very low	23.6	Very low	193 Å²	193	137.7 Å²	137.7	84%	0.839	75%	0.752	S	S	*	*			trans	38.4	108	156.8	-61.7	178.2	-178.6	179.9	0	119.4
612	H	24.6	Very low	23.7	Very low	190 Å²	190	141.8 Å²	141.8	88%	0.88	77%	0.765	S	S	*	*			trans	-117.9	145.6	140.6	-112.7	-92.6	0	0	0	108.6
613	V	24.9	Very low	23.6	Very low	139 Å²	139	139.8 Å²	139.8	84%	0.842	77%	0.768	S	S	*	*			trans	-98.9	139.1	172.7	175.9	0	0	0	0	108.7
614	S	23.2	Very low	23.8	Very low	111 Å²	111	138.8 Å²	138.8	78%	0.776	77%	0.771	S	S	*	*			trans	-105.6	130.9	-177.4	-51.4	0	0	0	0	111.3
615	E	23.9	Very low	23.8	Very low	200 Å²	200	139.7 Å²	139.7	94%	0.935	77%	0.773	S	S	*	*			trans	-80.9	133.2	159.2	-68.4	-170.9	129.6	0	0	109.4
616	S	24.9	Very low	23.9	Very low	105 Å²	105	139.8 Å²	139.8	73%	0.734	77%	0.774	S	S	*	*			trans	-86.3	117.1	-170.6	57.1	0	0	0	0	112.9	N618	S616-N618 PolarHBondContact O-N 3.44Å
617	S	23.2	Very low	23.9	Very low	107 Å²	107	140 Å²	140	75%	0.748	78%	0.777	S	S	*	*			trans	-68.9	114.8	170.4	56.9	0	0	0	0	111.8
618	N	24.7	Very low	24.2	Very low	151 Å²	151	140.5 Å²	140.5	81%	0.807	78%	0.782	S	S	*	*			trans	-93.3	109.7	169.2	-89.7	-35.5	0	0	0	110.9	S616	S616-N618 PolarHBondContact O-N 3.44Å
619	V	23.7	Very low	24.2	Very low	109 Å²	109	135.4 Å²	135.4	66%	0.661	77%	0.768	S	S	*	*			trans	-81.7	127.2	175.5	177.6	0	0	0	0	109.6
620	I	24.6	Very low	24.3	Very low	160 Å²	160	140 Å²	140	82%	0.821	77%	0.768	S	S	*	*			trans	-111.6	120.8	169.5	-61	-179.8	0	0	0	108.3
621	H	22.5	Very low	24.6	Very low	159 Å²	159	140.6 Å²	140.6	74%	0.736	77%	0.77	S	S	*	*			trans	-76.9	138.1	-177.4	-76.5	-99	0	0	0	112.2
622	L	24.2	Very low	24.9	Very low	176 Å²	176	138.3 Å²	138.3	92%	0.921	77%	0.767	S	S	*	*			trans	-81.9	121.5	172.2	-134.4	76.2	0	0	0	110.1
623	T	22.6	Very low	24.8	Very low	137 Å²	137	137.3 Å²	137.3	84%	0.84	76%	0.76	S	S	*	*			trans	-110.3	134.5	163.2	48.9	0	0	0	0	109.5
624	S	25.1	Very low	24.8	Very low	97 Å²	97	135.7 Å²	135.7	68%	0.678	75%	0.752	S	S	*	*			trans	-98.4	173.5	-165.2	50.3	0	0	0	0	114.5
625	F	22.7	Very low	24.7	Very low	171 Å²	171	138 Å²	138	75%	0.75	75%	0.75	S	S	*	*			trans	84.8	83.3	175.1	-63.1	-76.7	0	0	0	117.7
626	T	26.5	Very low	24.9	Very low	109 Å²	109	134.8 Å²	134.8	67%	0.669	74%	0.739	S	S	*	*				35.1	114.4	119.1	56.9	0	0	0	0	118.9	I628	T626-I628 HydrophobicContact CG2-CD1 4.42Å
627	D	22.6	Very low	24.8	Very low	143 Å²	143	133.6 Å²	133.6	77%	0.765	73%	0.725	S	S	*	*				-127.1	141.3	129.5	-159.3	-26.2	0	0	0	107.8
628	I	29.2	Very low	25	Very low	134 Å²	134	134.6 Å²	134.6	69%	0.687	71%	0.712	S	S	*	*			trans	-127.3	67.5	-169.8	-49.6	-178.6	0	0	0	109.6	T626	T626-I628 HydrophobicContact CG2-CD1 4.42Å
629	S	25.1	Very low	24.9	Very low	66 Å²	66	136.2 Å²	136.2	46%	0.462	71%	0.707	S	S	.	*	S	Bend	trans	-135.3	-24.2	178.1	58.6	0	0	0	0	114.5
630	E	24.9	Very low	25.3	Very low	177 Å²	177	134.6 Å²	134.6	83%	0.827	69%	0.689	S	S	*	*	G	3₁₀ helix	trans	-80.7	-26	179.6	-63.3	-153.3	114.2	0	0	114.3	L632	E630-L632 PolarHBondContact O-N 2.83Å; E630-L632 VanDerWaalsContact O-N 3.07Å
631	C	29.7	Very low	25.1	Very low	118 Å²	118	131.6 Å²	131.6	80%	0.797	69%	0.688	S	S	*	*	G	3₁₀ helix	trans	-73.2	2.4	-174	-65.3	0	0	0	0	115.8
632	L	29.8	Very low	25.5	Very low	146 Å²	146	128 Å²	128	76%	0.764	67%	0.668	S	S	*	*	G	3₁₀ helix	trans	-116.9	21	-174.9	-70.1	178.1	0	0	0	114.8	E630	E630-L632 PolarHBondContact O-N 2.83Å; E630-L632 VanDerWaalsContact O-N 3.07Å
633	K	22.1	Very low	25.6	Very low	169 Å²	169	124.8 Å²	124.8	74%	0.735	66%	0.656	S	S	*	*			trans	-127.3	101.6	170.3	-70.4	172	-171.1	151.2	0	112	Q635	K633-Q635 PolarHBondContact O-N 3.35Å
634	P	24.8	Very low	25.7	Very low	104 Å²	104	126.8 Å²	126.8	68%	0.675	66%	0.656	S	S	*	*			trans	-64.5	100.7	153	-8.2	24.6	0	0	0	107.3	L636	P634-L636 PolarHBondContact O-N 2.94Å
635	Q	23.1	Very low	25.6	Very low	159 Å²	159	129.9 Å²	129.9	74%	0.743	66%	0.66	S	S	*	*			trans	-64.2	109.3	164.7	-72.9	-164.1	11.3	0	0	107.6	K633 D637	K633-Q635 PolarHBondContact O-N 3.35Å; Q635-D637 HydrophobicContact CB-CB 4.47Å; Q635-D637 PolarHBondContact O-N 2.92Å
636	L	27.6	Very low	25.7	Very low	133 Å²	133	126.6 Å²	126.6	70%	0.696	66%	0.656	S	S	*	*			trans	-74.9	54	164.3	-74.7	173.4	0	0	0	110.4	K421 P634	K421-L636 VanDerWaalsContact NZ-CB 3.35Å; P634-L636 PolarHBondContact O-N 2.94Å
637	D	22.8	Very low	25.5	Very low	81 Å²	81	131 Å²	131	43%	0.433	67%	0.666	S	S	.	*			trans	-108.8	85.9	163.2	-148	41.8	0	0	0	105.5	Q635 R639	Q635-D637 HydrophobicContact CB-CB 4.47Å; Q635-D637 PolarHBondContact O-N 2.92Å; D637-R639 VanDerWaalsContact C-N 3.26Å; D637-R639 PolarHBondContact O-N 3.22Å
638	R	26.2	Very low	25.6	Very low	128 Å²	128	130 Å²	130	48%	0.483	66%	0.664	S	S	.	*			trans	-71.8	78.2	-169.8	-162.8	-177.2	-166.9	173.5	2.6	110.6	E34	E34-R638 IonicContact OE1-CZ 2.66Å; E34-R638 IonicContact OE1-NH1 3.62Å; E34-R638 PolarHBondContact OE1-NH1 3.22Å; E34-R638 IonicContact OE1-NH2 2.66Å; E34-R638 PolarHBondContact OE1-NH2 2.93Å; E34-R638 IonicContact OE2-CZ 3.77Å; E34-R638 IonicContact OE2-NH1 2.64Å; E34-R638 PolarHBondContact OE2-NH1 3.15Å
639	R	23.3	Very low	25.4	Very low	185 Å²	185	132.9 Å²	132.9	70%	0.698	67%	0.672	S	S	*	*			trans	-77.8	141.5	144.3	-58.1	-169.2	-165.6	-142.6	3.9	106.8	D637 A641	D637-R639 VanDerWaalsContact C-N 3.26Å; D637-R639 PolarHBondContact O-N 3.22Å; R639-A641 PolarHBondContact O-N 2.86Å
640	Y	31.1	Very low	25.5	Very low	75 Å²	75	136 Å²	136	29%	0.294	69%	0.688	S	S	.	*			trans	-65.6	103	178.9	-64.8	-98.8	0	0	0	109	Q62	Q62-Y640 PolarHBondContact NE2-O 2.82Å
641	A	21	Very low	25.5	Very low	96 Å²	96	133.6 Å²	133.6	79%	0.793	69%	0.686	S	S	*	*			trans	-95.1	105.1	165.5	0	0	0	0	0	106.1	R639	R639-A641 PolarHBondContact O-N 2.86Å
642	Y	31.2	Very low	25.5	Very low	83 Å²	83	133 Å²	133	33%	0.325	68%	0.682	S	S	.	*			trans	-66.7	150.3	-177.6	-64.7	-68.7	0	0	0	111.5	V57 D59 Q62 E644	V57-Y642 HydrophobicContact CG1-CE1 3.5Å; V57-Y642 VanDerWaalsContact CG1-OH 3.22Å; V57-Y642 WeakPolarHBondContact CG1-OH 3.43Å; D59-Y642 WeakPolarHBondContact OD1-CD2 3.36Å; Q62-Y642 HydrophobicContact CG-CE2 4.18Å; Q62-Y642 VanDerWaalsContact NE2-CE2 3.27Å; Y642-E644 PolarHBondContact O-N 3.01Å
643	T	27	Very low	25.5	Very low	109 Å²	109	133 Å²	133	67%	0.669	68%	0.684	S	S	*	*			trans	-57.6	116.4	154.7	41.5	0	0	0	0	107.8	E645	T643-E645 PolarHBondContact O-N 2.95Å; T643-E645 VanDerWaalsContact O-N 3.09Å
644	E	24.7	Very low	26	Very low	180 Å²	180	132 Å²	132	84%	0.841	69%	0.691	S	S	*	*			trans	-62.6	112.2	172.1	-63.2	-174.3	145.7	0	0	108.1	Y642 P646	Y642-E644 PolarHBondContact O-N 3.01Å; E644-P646 WeakPolarHBondContact O-CD 3.33Å
645	E	22.6	Very low	26.6	Very low	162 Å²	162	129.4 Å²	129.4	76%	0.757	68%	0.683	S	S	*	*			trans	-67.2	115	171.8	-73	-163.6	156.3	0	0	109.3	T643 K647	T643-E645 PolarHBondContact O-N 2.95Å; T643-E645 VanDerWaalsContact O-N 3.09Å; E645-K647 PolarHBondContact O-N 3.27Å
646	P	23.5	Very low	27.7	Very low	101 Å²	101	125 Å²	125	66%	0.656	67%	0.674	S	S	*	*			trans	-71	108	174	29.8	-31.9	0	0	0	108.1	E644 V648	E644-P646 WeakPolarHBondContact O-CD 3.33Å; P646-V648 PolarHBondContact O-N 3.47Å
647	K	24.1	Very low	28.7	Very low	203 Å²	203	121.1 Å²	121.1	88%	0.883	65%	0.654	S	S	*	*			trans	-43.2	113.2	-177	-79.1	-169.7	174.3	-174.3	0	111.8	E645 K649	E645-K647 PolarHBondContact O-N 3.27Å; K647-K649 PolarHBondContact O-N 2.91Å; K647-K649 VanDerWaalsContact O-N 3.1Å
648	V	24.1	Very low	30.1	Very low	121 Å²	121	120.9 Å²	120.9	73%	0.733	67%	0.67	S	S	*	*			trans	-60.1	113.6	-169.8	177.5	0	0	0	0	111.1	P646 T650	P646-V648 PolarHBondContact O-N 3.47Å; V648-T650 HydrophobicContact CG1-CG2 3.89Å
649	K	25.3	Very low	32	Very low	194 Å²	194	116.3 Å²	116.3	84%	0.843	66%	0.663	S	S	*	*			trans	-99.8	105.1	150.4	-76.1	-171.6	176.1	-176.6	0	107.4	K647 V651	K647-K649 PolarHBondContact O-N 2.91Å; K647-K649 VanDerWaalsContact O-N 3.1Å; K649-V651 PolarHBondContact O-N 2.84Å; K649-V651 VanDerWaalsContact O-N 3.15Å
650	T	27.6	Very low	34.1	Very low	132 Å²	132	113.1 Å²	113.1	81%	0.81	65%	0.654	S	S	*	*			trans	-64.1	109.6	174.7	23.3	0	0	0	0	110.3	V648	V648-T650 HydrophobicContact CG1-CG2 3.89Å
651	V	25	Very low	36.1	Very low	127 Å²	127	114.1 Å²	114.1	77%	0.77	67%	0.665	S	S	*	*			trans	-132.5	125.7	165.4	-175.1	0	0	0	0	107	K649	K649-V651 PolarHBondContact O-N 2.84Å; K649-V651 VanDerWaalsContact O-N 3.15Å
652	S	28.9	Very low	38.9	Very low	104 Å²	104	109.7 Å²	109.7	73%	0.727	63%	0.628	S	S	*	*			trans	-84.2	146.6	-178.5	52.5	0	0	0	0	112.1
653	D	29	Very low	41.1	Very low	148 Å²	148	110.3 Å²	110.3	79%	0.791	63%	0.634	S	S	*	*			trans	61.1	139.9	179	-73.5	-52.8	0	0	0	115.2
654	V	32.3	Very low	43.6	Very low	148 Å²	148	106.8 Å²	106.8	90%	0.897	61%	0.61	S	S	*	*	S	Bend	cis	-132.6	135.5	28.5	169.1	0	0	0	0	111.5
655	G	37.3	Very low	46.5	Very low	48 Å²	48	98.2 Å²	98.2	50%	0.495	57%	0.57	S	S	.	*			trans	113.2	86.6	161.9	0	0	0	0	0	115.6	L657 G658	G655-L657 PolarHBondContact O-N 2.93Å; G655-G658 PolarHBondContact O-N 3.24Å
656	A	46.3	Very low	49.3	Very low	67 Å²	67	90.6 Å²	90.6	55%	0.554	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	1.3	-176.4	0	0	0	0	0	116.9	L769	A656-L769 HydrophobicContact CB-CD2 4.27Å
657	L	49.8	Very low	52.1	Low	52 Å²	52	87.7 Å²	87.7	27%	0.272	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-13.8	-178.9	-61.7	170.6	0	0	0	113.4	G655 E765 L769 C1018	G655-L657 PolarHBondContact O-N 2.93Å; L657-E765 HydrophobicContact CD1-CG 4.37Å; L657-E765 VanDerWaalsContact CD1-OE1 3.25Å; L657-E765 WeakPolarHBondContact CD1-OE1 3.41Å; L657-E765 HydrophobicContact CD2-CG 3.86Å; L657-L769 HydrophobicContact CD2-CD1 4.16Å; L657-L769 HydrophobicContact CD2-CD2 3.98Å; L657-L769 HydrophobicContact CD2-CG 4.05Å; L657-C1018 WeakPolarHBondContact O-CB 3.45Å
658	G	51.5	Low	54.8	Low	75 Å²	75	78.1 Å²	78.1	77%	0.773	47%	0.471	S	S	*	.	S	Bend	trans	-127	29.9	-179.6	0	0	0	0	0	113.1	G655	G655-G658 PolarHBondContact O-N 3.24Å
659	G	66.2	Low	57.6	Low	33 Å²	33	72.3 Å²	72.3	34%	0.34	44%	0.436	S	S	.	.	S	Bend	trans	-87.7	152.3	176.6	0	0	0	0	0	112.5	D661 M662 E663	G659-D661 VanDerWaalsContact C-N 3.26Å; G659-D661 PolarHBondContact O-N 2.96Å; G659-M662 WeakPolarHBondContact O-CA 3.37Å; G659-M662 WeakPolarHBondContact O-CB 3.37Å; G659-M662 PolarHBondContact O-N 3.33Å; G659-E663 PolarHBondContact O-N 3.26Å; G659-E663 VanDerWaalsContact O-N 3.15Å
660	F	68.1	Low	60.1	Low	118 Å²	118	67 Å²	67	52%	0.518	41%	0.411	S	S	.	.	H	α-helix	trans	-49.7	-43.4	177.4	178	-113.7	0	0	0	113	M662 E663 N664	F660-M662 PolarHBondContact O-N 3.22Å; F660-E663 PolarHBondContact O-N 3.16Å; F660-N664 VanDerWaalsContact CD1-ND2 3.32Å; F660-N664 WeakPolarHBondContact CD1-ND2 3.35Å; F660-N664 WeakPolarHBondContact CE1-ND2 3.43Å; F660-N664 WeakPolarHBondContact CZ-ND2 3.41Å; F660-N664 WeakPolarHBondContact O-CB 3.41Å; F660-N664 VanDerWaalsContact O-CG 3.23Å; F660-N664 PolarHBondContact O-N 3.46Å; F660-N664 PolarHBondContact O-ND2 3.33Å
661	D	72.9	Confident	62.7	Low	96 Å²	96	62 Å²	62	51%	0.513	38%	0.381	S	S	.	.	H	α-helix	trans	-62.5	-29.5	178.3	-59.1	-41	0	0	0	113.4	G659 L665 L772 W775	G659-D661 VanDerWaalsContact C-N 3.26Å; G659-D661 PolarHBondContact O-N 2.96Å; D661-L665 WeakPolarHBondContact O-CB 3.46Å; D661-L665 PolarHBondContact O-N 3.35Å; D661-L665 VanDerWaalsContact O-N 3.1Å; D661-L772 HydrophobicContact CB-CD1 4Å; D661-W775 PolarHBondContact O-NE1 3.01Å
662	M	78.8	Confident	65.3	Low	3 Å²	3	56 Å²	56	2%	0.015	34%	0.344	C	S	.	.	H	α-helix	trans	-78.7	-39.9	177.1	-173.1	65.1	78.1	0	0	111.5	G659 F660 L665 L666 L768 L769 L772	G659-M662 WeakPolarHBondContact O-CA 3.37Å; G659-M662 WeakPolarHBondContact O-CB 3.37Å; G659-M662 PolarHBondContact O-N 3.33Å; F660-M662 PolarHBondContact O-N 3.22Å; M662-L665 WeakPolarHBondContact O-CB 3.4Å; M662-L665 PolarHBondContact O-N 3.24Å; M662-L665 HydrophobicContact SD-CD2 4.12Å; M662-L666 WeakPolarHBondContact O-CG 3.35Å; M662-L666 PolarHBondContact O-N 3.44Å; M662-L768 HydrophobicContact CE-CB 4.23Å; M662-L768 HydrophobicContact SD-CB 3.88Å; M662-L769 HydrophobicContact CE-CD2 4.07Å; M662-L772 HydrophobicContact CB-CD1 4.48Å; M662-L772 HydrophobicContact CE-CB 4.37Å; M662-L772 HydrophobicContact CE-CD1 4.31Å; M662-L772 HydrophobicContact CE-CD2 4.13Å; M662-L772 HydrophobicContact SD-CD1 4.42Å
663	E	78.5	Confident	67.7	Low	96 Å²	96	53.3 Å²	53.3	45%	0.449	32%	0.322	S	S	.	.	H	α-helix	trans	-64.3	-43.8	173.7	-161.7	-168.3	151.9	0	0	110.6	G659 F660 L665 L666 Q667	G659-E663 PolarHBondContact O-N 3.26Å; G659-E663 VanDerWaalsContact O-N 3.15Å; F660-E663 PolarHBondContact O-N 3.16Å; E663-L665 VanDerWaalsContact C-N 3.31Å; E663-L665 PolarHBondContact O-N 3.46Å; E663-L666 PolarHBondContact O-N 3.24Å; E663-L666 VanDerWaalsContact O-N 3.12Å; E663-Q667 WeakPolarHBondContact O-CG 3.28Å; E663-Q667 PolarHBondContact O-N 3.02Å; E663-Q667 PolarHBondContact OE1-NE2 3.12Å
664	N	79.9	Confident	70	Confident	34 Å²	34	49.6 Å²	49.6	18%	0.182	30%	0.296	C	S	.	.	H	α-helix	trans	-60.5	-38.6	175.1	-68.6	-25.9	0	0	0	112.2	F660 S668 W775	F660-N664 VanDerWaalsContact CD1-ND2 3.32Å; F660-N664 WeakPolarHBondContact CD1-ND2 3.35Å; F660-N664 WeakPolarHBondContact CE1-ND2 3.43Å; F660-N664 WeakPolarHBondContact CZ-ND2 3.41Å; F660-N664 WeakPolarHBondContact O-CB 3.41Å; F660-N664 VanDerWaalsContact O-CG 3.23Å; F660-N664 PolarHBondContact O-N 3.46Å; F660-N664 PolarHBondContact O-ND2 3.33Å; N664-S668 VanDerWaalsContact O-CB 3.29Å; N664-S668 WeakPolarHBondContact O-CB 3.44Å; N664-S668 PolarHBondContact O-N 3.34Å; N664-S668 PolarHBondContact O-OG 3.09Å; N664-W775 HydrophobicContact CB-CZ2 4.37Å
665	L	85	Confident	72.3	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-62	-46.3	171.4	173.1	58.1	0	0	0	112	D661 M662 E663 S668 L669 F679 L771 L772 W775	D661-L665 WeakPolarHBondContact O-CB 3.46Å; D661-L665 PolarHBondContact O-N 3.35Å; D661-L665 VanDerWaalsContact O-N 3.1Å; M662-L665 WeakPolarHBondContact O-CB 3.4Å; M662-L665 PolarHBondContact O-N 3.24Å; M662-L665 HydrophobicContact SD-CD2 4.12Å; E663-L665 VanDerWaalsContact C-N 3.31Å; E663-L665 PolarHBondContact O-N 3.46Å; L665-S668 PolarHBondContact O-N 3.38Å; L665-S668 PolarHBondContact O-OG 2.85Å; L665-L669 HydrophobicContact CD1-CD1 3.65Å; L665-L669 HydrophobicContact CD1-CG 3.87Å; L665-L669 HydrophobicContact CG-CD1 3.86Å; L665-L669 HydrophobicContact CG-CG 4.5Å; L665-L669 WeakPolarHBondContact O-CB 3.41Å; L665-L669 WeakPolarHBondContact O-CG 3.33Å; L665-L669 PolarHBondContact O-N 3.32Å; L665-F679 HydrophobicContact CD1-CE1 4.04Å; L665-F679 HydrophobicContact CD1-CZ 4.24Å; L665-L771 HydrophobicContact CD2-CB 4.07Å; L665-L772 HydrophobicContact CD2-CB 4.38Å; L665-L772 HydrophobicContact CD2-CD1 4.26Å; L665-W775 HydrophobicContact CB-CD2 4.37Å; L665-W775 HydrophobicContact CB-CG 4.14Å; L665-W775 HydrophobicContact CD1-CB 3.88Å; L665-W775 HydrophobicContact CD1-CD2 3.95Å; L665-W775 HydrophobicContact CD1-CE3 4.18Å; L665-W775 HydrophobicContact CD1-CG 3.8Å; L665-W775 HydrophobicContact CG-CG 4.41Å
666	L	82.2	Confident	74.2	Confident	3 Å²	3	40.2 Å²	40.2	2%	0.016	23%	0.23	C	C	.	.	H	α-helix	trans	-64.3	-42.3	178.4	-72	174.4	0	0	0	112.2	M662 E663 Y670 W698 L768 S1015 C1018	M662-L666 WeakPolarHBondContact O-CG 3.35Å; M662-L666 PolarHBondContact O-N 3.44Å; E663-L666 PolarHBondContact O-N 3.24Å; E663-L666 VanDerWaalsContact O-N 3.12Å; L666-Y670 WeakPolarHBondContact O-CB 3.38Å; L666-Y670 PolarHBondContact O-N 2.84Å; L666-W698 HydrophobicContact CD2-CH2 3.28Å; L666-W698 HydrophobicContact CD2-CZ2 3.66Å; L666-W698 HydrophobicContact CD2-CZ3 4.17Å; L666-L768 HydrophobicContact CD2-CD1 3.88Å; L666-L768 HydrophobicContact CD2-CD2 3.67Å; L666-L768 HydrophobicContact CD2-CG 4.46Å; L666-S1015 WeakPolarHBondContact CD1-O 3.26Å; L666-C1018 HydrophobicContact CD1-CB 4.15Å
667	Q	80.7	Confident	75.8	Confident	40 Å²	40	39 Å²	39	19%	0.187	21%	0.212	C	C	.	.	H	α-helix	trans	-63.4	-42	174.1	-68	-173.6	27.7	0	0	111.6	P39 E663 V671	P39-Q667 HydrophobicContact CB-CB 4.35Å; P39-Q667 HydrophobicContact CG-CB 4.05Å; E663-Q667 WeakPolarHBondContact O-CG 3.28Å; E663-Q667 PolarHBondContact O-N 3.02Å; E663-Q667 PolarHBondContact OE1-NE2 3.12Å; Q667-V671 WeakPolarHBondContact O-CG2 3.47Å; Q667-V671 PolarHBondContact O-N 3.3Å
668	S	81.8	Confident	77.4	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.007	21%	0.208	C	C	.	.	H	α-helix	trans	-69.3	-39	179.2	77	0	0	0	0	113	N664 L665 V671 E672 W775	N664-S668 VanDerWaalsContact O-CB 3.29Å; N664-S668 WeakPolarHBondContact O-CB 3.44Å; N664-S668 PolarHBondContact O-N 3.34Å; N664-S668 PolarHBondContact O-OG 3.09Å; L665-S668 PolarHBondContact O-N 3.38Å; L665-S668 PolarHBondContact O-OG 2.85Å; S668-V671 CarbonylContact O-C 3.52Å; S668-V671 PolarHBondContact O-N 2.91Å; S668-E672 PolarHBondContact O-N 2.99Å; S668-W775 VanDerWaalsContact OG-CH2 3.25Å; S668-W775 WeakPolarHBondContact OG-CH2 3.44Å; S668-W775 WeakPolarHBondContact OG-CZ3 3.44Å
669	L	83.1	Confident	79	Confident	0 Å²	0	35 Å²	35	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-65.1	-41.9	174.5	-79.6	168.6	0	0	0	112.3	L665 V671 E672 F679 V695 W698 F699 L768	L665-L669 HydrophobicContact CD1-CD1 3.65Å; L665-L669 HydrophobicContact CD1-CG 3.87Å; L665-L669 HydrophobicContact CG-CD1 3.86Å; L665-L669 HydrophobicContact CG-CG 4.5Å; L665-L669 WeakPolarHBondContact O-CB 3.41Å; L665-L669 WeakPolarHBondContact O-CG 3.33Å; L665-L669 PolarHBondContact O-N 3.32Å; L669-V671 VanDerWaalsContact C-N 3.29Å; L669-V671 PolarHBondContact O-N 2.82Å; L669-E672 WeakPolarHBondContact O-CB 3.3Å; L669-E672 PolarHBondContact O-N 3.01Å; L669-F679 HydrophobicContact CD2-CD1 3.71Å; L669-F679 HydrophobicContact CD2-CE1 3.92Å; L669-F679 HydrophobicContact CG-CD1 4.45Å; L669-V695 HydrophobicContact CD2-CG1 4.14Å; L669-W698 HydrophobicContact CD1-CD2 4.32Å; L669-W698 HydrophobicContact CD1-CG 4.46Å; L669-W698 HydrophobicContact CD1-CZ2 4.39Å; L669-F699 HydrophobicContact CD2-CZ 4.42Å; L669-L768 HydrophobicContact CD1-CD2 4.23Å
670	Y	77.9	Confident	79.8	Confident	81 Å²	81	33.7 Å²	33.7	32%	0.318	16%	0.157	S	C	.	.	H	α-helix	trans	-61	-40.3	176.5	175.6	-117.9	0	0	0	111.9	L666 S1011 I1014	L666-Y670 WeakPolarHBondContact O-CB 3.38Å; L666-Y670 PolarHBondContact O-N 2.84Å; Y670-S1011 VanDerWaalsContact CE1-CB 3.47Å; Y670-I1014 HydrophobicContact CD2-CB 4.07Å; Y670-I1014 HydrophobicContact CD2-CD1 3.62Å; Y670-I1014 HydrophobicContact CD2-CG1 4.45Å; Y670-I1014 HydrophobicContact CD2-CG2 3.87Å; Y670-I1014 HydrophobicContact CE2-CD1 3.55Å; Y670-I1014 HydrophobicContact CG-CG2 4.22Å
671	V	80.6	Confident	80.4	Confident	28 Å²	28	29.8 Å²	29.8	17%	0.17	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	5.8	-176.2	-164.7	0	0	0	0	112.4	L38 Q667 S668 L669 N673 R674 A675	L38-V671 HydrophobicContact CD1-CG1 4.13Å; L38-V671 HydrophobicContact CD2-CG1 3.54Å; L38-V671 HydrophobicContact CG-CG1 4.35Å; Q667-V671 WeakPolarHBondContact O-CG2 3.47Å; Q667-V671 PolarHBondContact O-N 3.3Å; S668-V671 CarbonylContact O-C 3.52Å; S668-V671 PolarHBondContact O-N 2.91Å; L669-V671 VanDerWaalsContact C-N 3.29Å; L669-V671 PolarHBondContact O-N 2.82Å; V671-N673 VanDerWaalsContact C-N 3.34Å; V671-N673 PolarHBondContact O-N 3.1Å; V671-R674 HydrophobicContact CG1-CB 3.8Å; V671-R674 HydrophobicContact CG1-CG 4.47Å; V671-R674 CarbonylContact O-C 3.51Å; V671-R674 WeakPolarHBondContact O-CA 3.26Å; V671-R674 WeakPolarHBondContact O-CB 3.34Å; V671-R674 PolarHBondContact O-N 2.57Å; V671-A675 PolarHBondContact O-N 3.5Å
672	E	80.4	Confident	81	Confident	0 Å²	0	28 Å²	28	0%	0	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-35.1	-172.3	177.2	159.4	-158.5	0	0	114.5	S668 L669 R674 A675 G676 F677 F679 T680 F699	S668-E672 PolarHBondContact O-N 2.99Å; L669-E672 WeakPolarHBondContact O-CB 3.3Å; L669-E672 PolarHBondContact O-N 3.01Å; E672-R674 PolarHBondContact O-N 3.4Å; E672-A675 CarbonylContact O-C 3.58Å; E672-A675 WeakPolarHBondContact O-CA 3.42Å; E672-A675 PolarHBondContact O-N 3.34Å; E672-G676 PolarHBondContact O-N 2.92Å; E672-G676 VanDerWaalsContact O-N 3.1Å; E672-F677 HydrophobicContact CG-CD1 4.02Å; E672-F677 PolarHBondContact O-N 3.01Å; E672-F677 VanDerWaalsContact OE1-CA 3.32Å; E672-F677 WeakPolarHBondContact OE1-CA 3.36Å; E672-F679 PolarHBondContact OE1-N 3.34Å; E672-F679 VanDerWaalsContact OE1-N 3.07Å; E672-T680 WeakPolarHBondContact OE1-CB 2.96Å; E672-T680 PolarHBondContact OE1-N 3.15Å; E672-T680 PolarHBondContact OE1-OG1 2.91Å; E672-F699 HydrophobicContact CB-CZ 4.09Å; E672-F699 HydrophobicContact CG-CZ 4.39Å; E672-F699 WeakPolarHBondContact OE2-CZ 3.33Å
673	N	79.3	Confident	81.2	Confident	48 Å²	48	28 Å²	28	26%	0.257	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-32.1	175	-51.6	-76.7	0	0	0	111.7	D136 V671 F677	D136-N673 WeakPolarHBondContact CB-O 3.47Å; D136-N673 PolarHBondContact N-O 2.92Å; D136-N673 WeakPolarHBondContact OD2-CB 3.44Å; V671-N673 VanDerWaalsContact C-N 3.34Å; V671-N673 PolarHBondContact O-N 3.1Å; N673-F677 HydrophobicContact CB-CZ 4.42Å; N673-F677 WeakPolarHBondContact OD1-CE1 3.42Å; N673-F677 WeakPolarHBondContact OD1-CZ 3.45Å
674	R	78.6	Confident	81.4	Confident	70 Å²	70	24.9 Å²	24.9	26%	0.264	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-20.3	175.1	-69.8	173	157	-137	-18.7	113.4	E34 F35 L38 S135 D136 E140 V671 E672 G676	E34-R674 IonicContact OE1-CZ 2.89Å; E34-R674 IonicContact OE1-NH1 3.94Å; E34-R674 PolarHBondContact OE1-NH1 2.99Å; F35-R674 WeakPolarHBondContact CD2-O 3.45Å; L38-R674 HydrophobicContact CD1-CB 4.09Å; L38-R674 WeakPolarHBondContact CD1-O 3.33Å; S135-R674 WeakPolarHBondContact CB-O 3.48Å; D136-R674 HydrophobicContact CB-CG 3.92Å; E140-R674 IonicContact OE1-NH2 3.76Å; E140-R674 PolarHBondContact OE1-NH2 3.08Å; V671-R674 HydrophobicContact CG1-CB 3.8Å; V671-R674 HydrophobicContact CG1-CG 4.47Å; V671-R674 CarbonylContact O-C 3.51Å; V671-R674 WeakPolarHBondContact O-CA 3.26Å; V671-R674 WeakPolarHBondContact O-CB 3.34Å; V671-R674 PolarHBondContact O-N 2.57Å; E672-R674 PolarHBondContact O-N 3.4Å; R674-G676 VanDerWaalsContact C-N 3.27Å
675	A	78.6	Confident	81.4	Confident	0 Å²	0	31 Å²	31	0%	0	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	4.6	169.3	0	0	0	0	0	113.3	L38 T40 V671 E672	L38-A675 HydrophobicContact CD1-CB 3.93Å; T40-A675 HydrophobicContact CG2-CB 3.78Å; T40-A675 WeakPolarHBondContact OG1-CB 3.33Å; V671-A675 PolarHBondContact O-N 3.5Å; E672-A675 CarbonylContact O-C 3.58Å; E672-A675 WeakPolarHBondContact O-CA 3.42Å; E672-A675 PolarHBondContact O-N 3.34Å
676	G	77.6	Confident	81.3	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.8	39.3	178.9	0	0	0	0	0	113.5	E134 E672 R674 F678 K681	E134-G676 VanDerWaalsContact O-CA 3.28Å; E134-G676 WeakPolarHBondContact O-CA 3.33Å; E672-G676 PolarHBondContact O-N 2.92Å; E672-G676 VanDerWaalsContact O-N 3.1Å; R674-G676 VanDerWaalsContact C-N 3.27Å; G676-F678 VanDerWaalsContact C-N 3.3Å; G676-F678 PolarHBondContact O-N 3.23Å; G676-K681 WeakPolarHBondContact O-CE 3.22Å; G676-K681 PolarHBondContact O-NZ 3.32Å
677	F	80.9	Confident	81	Confident	40 Å²	40	36.1 Å²	36.1	18%	0.175	19%	0.186	C	C	.	.	S	Bend	trans	61	33.5	175.4	-66.4	-70.1	0	0	0	114.2	E672 N673 F679 T680 K681	E672-F677 HydrophobicContact CG-CD1 4.02Å; E672-F677 PolarHBondContact O-N 3.01Å; E672-F677 VanDerWaalsContact OE1-CA 3.32Å; E672-F677 WeakPolarHBondContact OE1-CA 3.36Å; N673-F677 HydrophobicContact CB-CZ 4.42Å; N673-F677 WeakPolarHBondContact OD1-CE1 3.42Å; N673-F677 WeakPolarHBondContact OD1-CZ 3.45Å; F677-F679 PolarHBondContact O-N 3.27Å; F677-T680 WeakPolarHBondContact CA-OG1 3.34Å; F677-T680 VanDerWaalsContact CB-OG1 3.26Å; F677-T680 WeakPolarHBondContact CB-OG1 3.34Å; F677-T680 HydrophobicContact CD1-CG2 4.49Å; F677-T680 PolarHBondContact O-OG1 3.01Å; F677-K681 HydrophobicContact CB-CD 4.46Å; F677-K681 WeakPolarHBondContact O-CB 3.42Å; F677-K681 VanDerWaalsContact O-CD 3.25Å; F677-K681 WeakPolarHBondContact O-CD 3.24Å; F677-K681 WeakPolarHBondContact O-CG 3.48Å; F677-K681 PolarHBondContact O-N 3.42Å
678	F	82.4	Confident	81.2	Confident	43 Å²	43	36.7 Å²	36.7	19%	0.189	19%	0.19	C	C	.	.	H	α-helix	trans	-61	-39.2	-175	-168.9	-106.7	0	0	0	113.5	T40 F41 A131 G676 F682 M778	T40-F678 HydrophobicContact CG2-CB 4.13Å; T40-F678 HydrophobicContact CG2-CD1 4.15Å; F41-F678 HydrophobicContact CD1-CD1 4.42Å; F41-F678 HydrophobicContact CD1-CE1 4.21Å; F41-F678 HydrophobicContact CD1-CZ 4.48Å; F41-F678 AromaticContact CE1-CD1 3.96Å; F41-F678 HydrophobicContact CE1-CD1 3.96Å; F41-F678 HydrophobicContact CE1-CD2 4.13Å; F41-F678 HydrophobicContact CE1-CE1 4.01Å; F41-F678 HydrophobicContact CE1-CE2 4.18Å; F41-F678 HydrophobicContact CE1-CG 4.03Å; F41-F678 HydrophobicContact CE1-CZ 4.12Å; A131-F678 HydrophobicContact CB-CD2 4.06Å; G676-F678 VanDerWaalsContact C-N 3.3Å; G676-F678 PolarHBondContact O-N 3.23Å; F678-F682 PolarHBondContact O-N 3.39Å; F678-F682 VanDerWaalsContact O-N 3.11Å; F678-M778 HydrophobicContact CD1-CE 3.73Å; F678-M778 HydrophobicContact CD1-SD 3.48Å; F678-M778 WeakPolarHBondContact CD1-SD 3.39Å; F678-M778 HydrophobicContact CE1-CE 3.84Å; F678-M778 HydrophobicContact CE1-CG 4.14Å; F678-M778 HydrophobicContact CE1-SD 3.66Å
679	F	84.9	Confident	81.3	Confident	1 Å²	1	44.5 Å²	44.5	0%	0.004	22%	0.224	C	C	.	.	H	α-helix	trans	-83.8	-46.6	-175.3	175.6	-119.3	0	0	0	112.8	L665 L669 E672 F677 K681 F682 C683 V695 L771 P774 W775 M778	L665-F679 HydrophobicContact CD1-CE1 4.04Å; L665-F679 HydrophobicContact CD1-CZ 4.24Å; L669-F679 HydrophobicContact CD2-CD1 3.71Å; L669-F679 HydrophobicContact CD2-CE1 3.92Å; L669-F679 HydrophobicContact CG-CD1 4.45Å; E672-F679 PolarHBondContact OE1-N 3.34Å; E672-F679 VanDerWaalsContact OE1-N 3.07Å; F677-F679 PolarHBondContact O-N 3.27Å; F679-K681 VanDerWaalsContact C-N 3.28Å; F679-K681 PolarHBondContact O-N 2.7Å; F679-F682 WeakPolarHBondContact O-CA 3.49Å; F679-F682 WeakPolarHBondContact O-CB 3.37Å; F679-F682 PolarHBondContact O-N 3.28Å; F679-C683 PolarHBondContact O-N 2.96Å; F679-V695 HydrophobicContact CD1-CG2 4.43Å; F679-V695 HydrophobicContact CE1-CG2 3.92Å; F679-L771 HydrophobicContact CE1-CB 4.49Å; F679-L771 HydrophobicContact CE1-CD2 4.36Å; F679-L771 HydrophobicContact CZ-CB 4.3Å; F679-L771 HydrophobicContact CZ-CD2 4.26Å; F679-P774 HydrophobicContact CE2-CB 4.23Å; F679-P774 HydrophobicContact CE2-CG 4.33Å; F679-P774 HydrophobicContact CZ-CG 4.17Å; F679-W775 HydrophobicContact CD2-CE3 4.08Å; F679-W775 HydrophobicContact CE2-CB 3.91Å; F679-W775 HydrophobicContact CE2-CE3 4.38Å; F679-W775 HydrophobicContact CG-CE3 4.39Å; F679-W775 HydrophobicContact CZ-CB 4.1Å; F679-M778 HydrophobicContact CB-SD 4.08Å; F679-M778 HydrophobicContact CD2-SD 3.87Å; F679-M778 HydrophobicContact CG-SD 4.48Å
680	T	82.9	Confident	81.3	Confident	6 Å²	6	48 Å²	48	4%	0.037	24%	0.243	C	C	.	.	H	α-helix	trans	-49	-50	165.7	40.9	0	0	0	0	110.7	E672 F677 F682 C683 E684 V695 F699	E672-T680 WeakPolarHBondContact OE1-CB 2.96Å; E672-T680 PolarHBondContact OE1-N 3.15Å; E672-T680 PolarHBondContact OE1-OG1 2.91Å; F677-T680 WeakPolarHBondContact CA-OG1 3.34Å; F677-T680 VanDerWaalsContact CB-OG1 3.26Å; F677-T680 WeakPolarHBondContact CB-OG1 3.34Å; F677-T680 HydrophobicContact CD1-CG2 4.49Å; F677-T680 PolarHBondContact O-OG1 3.01Å; T680-F682 VanDerWaalsContact C-N 3.34Å; T680-F682 PolarHBondContact O-N 2.89Å; T680-C683 CarbonylContact O-C 3.57Å; T680-C683 WeakPolarHBondContact O-CB 3.36Å; T680-C683 PolarHBondContact O-N 3.38Å; T680-E684 VanDerWaalsContact O-CG 3.23Å; T680-E684 WeakPolarHBondContact O-CG 3.44Å; T680-E684 PolarHBondContact O-N 3.41Å; T680-V695 HydrophobicContact CG2-CB 4.17Å; T680-V695 HydrophobicContact CG2-CG1 3.35Å; T680-F699 HydrophobicContact CG2-CE2 3.87Å
681	K	82.1	Confident	81.8	Confident	35 Å²	35	45.4 Å²	45.4	15%	0.152	23%	0.232	C	C	.	.	H	α-helix	trans	-57.6	-44.1	174.7	-75.5	166.2	-175.5	168.2	0	112	E134 G676 F677 F679 C683 E684 H685	E134-K681 VanDerWaalsContact OE2-CE 3.28Å; E134-K681 WeakPolarHBondContact OE2-CE 3.42Å; E134-K681 IonicContact OE2-NZ 2.73Å; E134-K681 PolarHBondContact OE2-NZ 2.87Å; G676-K681 WeakPolarHBondContact O-CE 3.22Å; G676-K681 PolarHBondContact O-NZ 3.32Å; F677-K681 HydrophobicContact CB-CD 4.46Å; F677-K681 WeakPolarHBondContact O-CB 3.42Å; F677-K681 VanDerWaalsContact O-CD 3.25Å; F677-K681 WeakPolarHBondContact O-CD 3.24Å; F677-K681 WeakPolarHBondContact O-CG 3.48Å; F677-K681 PolarHBondContact O-N 3.42Å; F679-K681 VanDerWaalsContact C-N 3.28Å; F679-K681 PolarHBondContact O-N 2.7Å; K681-C683 PolarHBondContact O-N 3.38Å; K681-E684 WeakPolarHBondContact CA-OE2 3.48Å; K681-E684 PolarHBondContact O-N 3.08Å; K681-H685 PolarHBondContact O-N 3.44Å; K681-H685 PolarHBondContact O-ND1 3.48Å
682	F	84.3	Confident	82	Confident	60 Å²	60	46.8 Å²	46.8	26%	0.263	24%	0.236	S	C	.	.	H	α-helix	trans	-59.3	-46.2	175.7	-179.4	-94	0	0	0	111.9	F678 F679 T680 E684 H685 S686 P774 K777 M778	F678-F682 PolarHBondContact O-N 3.39Å; F678-F682 VanDerWaalsContact O-N 3.11Å; F679-F682 WeakPolarHBondContact O-CA 3.49Å; F679-F682 WeakPolarHBondContact O-CB 3.37Å; F679-F682 PolarHBondContact O-N 3.28Å; T680-F682 VanDerWaalsContact C-N 3.34Å; T680-F682 PolarHBondContact O-N 2.89Å; F682-E684 VanDerWaalsContact C-N 3.32Å; F682-E684 PolarHBondContact O-N 3.42Å; F682-H685 PolarHBondContact O-N 2.71Å; F682-S686 PolarHBondContact O-N 2.87Å; F682-S686 VanDerWaalsContact O-N 3.09Å; F682-P774 HydrophobicContact CD1-CB 4.37Å; F682-P774 HydrophobicContact CE1-CB 4.13Å; F682-P774 VanDerWaalsContact CE1-O 3.23Å; F682-P774 WeakPolarHBondContact CE1-O 3.25Å; F682-K777 HydrophobicContact CE1-CB 4.24Å; F682-K777 HydrophobicContact CZ-CB 4.06Å; F682-M778 HydrophobicContact CB-CG 4.06Å; F682-M778 HydrophobicContact CB-SD 4.02Å; F682-M778 HydrophobicContact CD1-CB 3.8Å; F682-M778 HydrophobicContact CD1-CG 4.2Å; F682-M778 HydrophobicContact CD2-CB 4.08Å; F682-M778 HydrophobicContact CD2-CG 3.84Å; F682-M778 HydrophobicContact CE1-CB 3.92Å; F682-M778 HydrophobicContact CE2-CB 4.19Å; F682-M778 HydrophobicContact CE2-CG 4.34Å; F682-M778 HydrophobicContact CG-CB 3.88Å; F682-M778 HydrophobicContact CG-CG 3.76Å; F682-M778 HydrophobicContact CG-SD 4.34Å; F682-M778 HydrophobicContact CZ-CB 4.11Å
683	C	82.9	Confident	82.3	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.007	24%	0.241	C	C	.	.	H	α-helix	trans	-61	-36.5	175	-71	0	0	0	0	112.8	F679 T680 K681 S686 W691 V695	F679-C683 PolarHBondContact O-N 2.96Å; T680-C683 CarbonylContact O-C 3.57Å; T680-C683 WeakPolarHBondContact O-CB 3.36Å; T680-C683 PolarHBondContact O-N 3.38Å; K681-C683 PolarHBondContact O-N 3.38Å; C683-S686 PolarHBondContact O-OG 3.34Å; C683-W691 HydrophobicContact CB-CB 4.12Å; C683-V695 HydrophobicContact CB-CG2 4.29Å
684	E	82.4	Confident	82.6	Confident	31 Å²	31	45.4 Å²	45.4	15%	0.145	23%	0.229	C	C	.	.	H	α-helix	trans	-70.4	-49.4	175.9	-67.3	174	122.1	0	0	113.2	R449 T680 K681 F682 S686 G687 K692 Y696	R449-E684 IonicContact CZ-OE1 3.24Å; R449-E684 IonicContact CZ-OE2 2.84Å; R449-E684 IonicContact NE-OE1 2.74Å; R449-E684 VanDerWaalsContact NH1-CD 3.31Å; R449-E684 IonicContact NH1-OE1 2.79Å; R449-E684 PolarHBondContact NH1-OE1 2.97Å; R449-E684 IonicContact NH1-OE2 2.73Å; R449-E684 PolarHBondContact NH1-OE2 3.02Å; R449-E684 VanDerWaalsContact NH2-CD 3.26Å; R449-E684 IonicContact NH2-OE1 3.99Å; R449-E684 PolarHBondContact NH2-OE1 3.48Å; R449-E684 VanDerWaalsContact NH2-OE1 3.1Å; R449-E684 IonicContact NH2-OE2 3.18Å; R449-E684 PolarHBondContact NH2-OE2 3.48Å; T680-E684 VanDerWaalsContact O-CG 3.23Å; T680-E684 WeakPolarHBondContact O-CG 3.44Å; T680-E684 PolarHBondContact O-N 3.41Å; K681-E684 WeakPolarHBondContact CA-OE2 3.48Å; K681-E684 PolarHBondContact O-N 3.08Å; F682-E684 VanDerWaalsContact C-N 3.32Å; F682-E684 PolarHBondContact O-N 3.42Å; E684-S686 PolarHBondContact O-N 3.08Å; E684-G687 PolarHBondContact O-N 3.36Å; E684-K692 HydrophobicContact CG-CD 3.89Å; E684-K692 HydrophobicContact CG-CG 4.17Å; E684-K692 IonicContact OE1-NZ 3.39Å; E684-K692 PolarHBondContact OE1-NZ 3.38Å; E684-Y696 PolarHBondContact OE1-OH 3.49Å
685	H	81.9	Confident	82.9	Confident	162 Å²	162	42.2 Å²	42.2	75%	0.75	22%	0.217	S	C	*	.	H	α-helix	trans	-65.6	-19.6	-179.9	-69.2	93.1	0	0	0	112.4	K681 F682 G687	K681-H685 PolarHBondContact O-N 3.44Å; K681-H685 PolarHBondContact O-ND1 3.48Å; F682-H685 PolarHBondContact O-N 2.71Å; H685-G687 PolarHBondContact O-N 3.08Å
686	S	81.1	Confident	83.2	Confident	51 Å²	51	43.2 Å²	43.2	36%	0.357	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-18.3	171.9	82.6	0	0	0	0	114.4	F682 C683 E684 N688 W691	F682-S686 PolarHBondContact O-N 2.87Å; F682-S686 VanDerWaalsContact O-N 3.09Å; C683-S686 PolarHBondContact O-OG 3.34Å; E684-S686 PolarHBondContact O-N 3.08Å; S686-N688 PolarHBondContact O-N 2.85Å; S686-N688 VanDerWaalsContact O-N 3.16Å; S686-N688 WeakPolarHBondContact OG-CB 3.36Å; S686-N688 PolarHBondContact OG-N 3.39Å; S686-N688 VanDerWaalsContact OG-N 3.1Å; S686-W691 VanDerWaalsContact OG-CE3 3.31Å
687	G	76.9	Confident	83.7	Confident	61 Å²	61	43.2 Å²	43.2	63%	0.629	22%	0.221	S	C	*	.			trans	71.3	-6.1	-172.4	0	0	0	0	0	115.3	E684 H685 K689	E684-G687 PolarHBondContact O-N 3.36Å; H685-G687 PolarHBondContact O-N 3.08Å; G687-K689 PolarHBondContact O-N 3.37Å; G687-K689 VanDerWaalsContact O-N 3.16Å
688	N	84.9	Confident	84	Confident	51 Å²	51	41.5 Å²	41.5	27%	0.273	21%	0.213	S	C	.	.			trans	-74.7	106.9	-178.8	-172	-11	0	0	0	111.4	S686 L690 W691 K692	S686-N688 PolarHBondContact O-N 2.85Å; S686-N688 VanDerWaalsContact O-N 3.16Å; S686-N688 WeakPolarHBondContact OG-CB 3.36Å; S686-N688 PolarHBondContact OG-N 3.39Å; S686-N688 VanDerWaalsContact OG-N 3.1Å; N688-L690 VanDerWaalsContact C-N 3.27Å; N688-L690 PolarHBondContact O-N 2.87Å; N688-L690 PolarHBondContact OD1-N 3.35Å; N688-W691 HydrophobicContact CB-CB 4.3Å; N688-W691 HydrophobicContact CB-CD2 3.82Å; N688-W691 HydrophobicContact CB-CE3 3.61Å; N688-W691 HydrophobicContact CB-CG 4.14Å; N688-W691 HydrophobicContact CB-CZ3 4.18Å; N688-W691 PolarHBondContact O-N 3.35Å; N688-K692 PolarHBondContact O-N 2.74Å; N688-K692 VanDerWaalsContact O-N 3.08Å
689	K	82.8	Confident	84.1	Confident	165 Å²	165	42 Å²	42	72%	0.717	22%	0.215	S	C	*	.	H	α-helix	trans	-56.4	-38	178.2	-63.8	-177.5	-179.1	179.7	0	112.8	G687 K692 N693	G687-K689 PolarHBondContact O-N 3.37Å; G687-K689 VanDerWaalsContact O-N 3.16Å; K689-K692 PolarHBondContact O-N 2.98Å; K689-N693 WeakPolarHBondContact O-CB 3.39Å; K689-N693 PolarHBondContact O-N 2.96Å; K689-N693 PolarHBondContact O-ND2 2.99Å; K689-N693 PolarHBondContact O-OD1 3.48Å
690	L	84.5	Confident	84	Confident	74 Å²	74	43.9 Å²	43.9	39%	0.387	23%	0.225	S	C	.	.	H	α-helix	trans	-66.4	-43.4	-178.8	-62.6	177.8	0	0	0	111.4	N688 N693 S694	N688-L690 VanDerWaalsContact C-N 3.27Å; N688-L690 PolarHBondContact O-N 2.87Å; N688-L690 PolarHBondContact OD1-N 3.35Å; L690-N693 PolarHBondContact O-N 3.08Å; L690-S694 WeakPolarHBondContact O-CB 3.4Å; L690-S694 PolarHBondContact O-N 2.79Å; L690-S694 PolarHBondContact O-OG 3.37Å
691	W	86.7	Confident	84.2	Confident	27 Å²	27	43.6 Å²	43.6	10%	0.102	22%	0.224	C	C	.	.	H	α-helix	trans	-65	-44.7	175	-62.8	-22.7	0	0	0	111.3	C683 S686 N688 N693 S694 V695 P774 K777	C683-W691 HydrophobicContact CB-CB 4.12Å; S686-W691 VanDerWaalsContact OG-CE3 3.31Å; N688-W691 HydrophobicContact CB-CB 4.3Å; N688-W691 HydrophobicContact CB-CD2 3.82Å; N688-W691 HydrophobicContact CB-CE3 3.61Å; N688-W691 HydrophobicContact CB-CG 4.14Å; N688-W691 HydrophobicContact CB-CZ3 4.18Å; N688-W691 PolarHBondContact O-N 3.35Å; W691-N693 PolarHBondContact O-N 3.3Å; W691-S694 PolarHBondContact O-N 3.45Å; W691-V695 WeakPolarHBondContact O-CG2 3.39Å; W691-V695 PolarHBondContact O-N 3.49Å; W691-V695 VanDerWaalsContact O-N 3.08Å; W691-P774 HydrophobicContact CD2-CB 3.76Å; W691-P774 HydrophobicContact CD2-CG 3.77Å; W691-P774 HydrophobicContact CE3-CB 3.76Å; W691-P774 HydrophobicContact CE3-CG 4.29Å; W691-P774 HydrophobicContact CG-CB 4.31Å; W691-P774 HydrophobicContact CG-CG 3.87Å; W691-P774 HydrophobicContact CH2-CB 4.32Å; W691-P774 HydrophobicContact CZ2-CB 4.29Å; W691-P774 HydrophobicContact CZ2-CG 4.49Å; W691-P774 HydrophobicContact CZ3-CB 4.05Å; W691-K777 HydrophobicContact CH2-CD 4.27Å
692	K	84.9	Confident	84.2	Confident	57 Å²	57	43 Å²	43	25%	0.248	22%	0.221	C	C	.	.	H	α-helix	trans	-59.4	-44.6	176.3	-174.4	168	-179.9	136.2	0	112.2	D446 E684 N688 K689 Y696	D446-K692 IonicContact OD2-NZ 2.6Å; D446-K692 PolarHBondContact OD2-NZ 2.76Å; E684-K692 HydrophobicContact CG-CD 3.89Å; E684-K692 HydrophobicContact CG-CG 4.17Å; E684-K692 IonicContact OE1-NZ 3.39Å; E684-K692 PolarHBondContact OE1-NZ 3.38Å; N688-K692 PolarHBondContact O-N 2.74Å; N688-K692 VanDerWaalsContact O-N 3.08Å; K689-K692 PolarHBondContact O-N 2.98Å; K692-Y696 HydrophobicContact CD-CE2 4.27Å; K692-Y696 VanDerWaalsContact CE-CE2 3.49Å; K692-Y696 WeakPolarHBondContact CE-OH 3.42Å; K692-Y696 HydrophobicContact CG-CD2 4.23Å; K692-Y696 HydrophobicContact CG-CE2 3.78Å; K692-Y696 PolarHBondContact NZ-OH 3.22Å; K692-Y696 WeakPolarHBondContact O-CD2 3.4Å; K692-Y696 VanDerWaalsContact O-CG 3.31Å; K692-Y696 PolarHBondContact O-N 2.91Å
693	N	88.1	Confident	84	Confident	19 Å²	19	42 Å²	42	10%	0.102	23%	0.225	C	C	.	.	H	α-helix	trans	-65.7	-42.1	177	-67	-8	0	0	0	111.9	K689 L690 W691 Y696 F697 L736 D737	K689-N693 WeakPolarHBondContact O-CB 3.39Å; K689-N693 PolarHBondContact O-N 2.96Å; K689-N693 PolarHBondContact O-ND2 2.99Å; K689-N693 PolarHBondContact O-OD1 3.48Å; L690-N693 PolarHBondContact O-N 3.08Å; W691-N693 PolarHBondContact O-N 3.3Å; N693-Y696 PolarHBondContact O-N 3.31Å; N693-F697 PolarHBondContact O-N 2.73Å; N693-L736 HydrophobicContact CB-CB 4.39Å; N693-L736 WeakPolarHBondContact ND2-CA 3.36Å; N693-L736 PolarHBondContact ND2-O 3.38Å; N693-L736 WeakPolarHBondContact OD1-CD2 3.4Å; N693-D737 PolarHBondContact ND2-O 2.86Å
694	S	85.7	Confident	84.1	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-62	-46.3	-178.8	-65.6	0	0	0	0	112.6	L690 W691 Y696 F697 W698	L690-S694 WeakPolarHBondContact O-CB 3.4Å; L690-S694 PolarHBondContact O-N 2.79Å; L690-S694 PolarHBondContact O-OG 3.37Å; W691-S694 PolarHBondContact O-N 3.45Å; S694-Y696 VanDerWaalsContact C-N 3.33Å; S694-Y696 PolarHBondContact O-N 2.87Å; S694-F697 PolarHBondContact O-N 3.17Å; S694-W698 WeakPolarHBondContact O-CB 3.24Å; S694-W698 PolarHBondContact O-N 3.39Å
695	V	85.1	Confident	84.1	Confident	2 Å²	2	41.2 Å²	41.2	1%	0.012	22%	0.221	C	C	.	.	H	α-helix	trans	-68.2	-33.4	177.2	-168.3	0	0	0	0	111.7	L669 F679 T680 C683 W691 W698 F699 L771	L669-V695 HydrophobicContact CD2-CG1 4.14Å; F679-V695 HydrophobicContact CD1-CG2 4.43Å; F679-V695 HydrophobicContact CE1-CG2 3.92Å; T680-V695 HydrophobicContact CG2-CB 4.17Å; T680-V695 HydrophobicContact CG2-CG1 3.35Å; C683-V695 HydrophobicContact CB-CG2 4.29Å; W691-V695 WeakPolarHBondContact O-CG2 3.39Å; W691-V695 PolarHBondContact O-N 3.49Å; W691-V695 VanDerWaalsContact O-N 3.08Å; V695-W698 WeakPolarHBondContact O-CB 3.46Å; V695-W698 PolarHBondContact O-N 2.85Å; V695-F699 HydrophobicContact CG1-CD2 4.01Å; V695-F699 HydrophobicContact CG1-CE2 3.62Å; V695-F699 VanDerWaalsContact O-CD2 3.24Å; V695-F699 WeakPolarHBondContact O-CD2 3.41Å; V695-F699 PolarHBondContact O-N 3.16Å; V695-L771 HydrophobicContact CG2-CD1 3.94Å; V695-L771 HydrophobicContact CG2-CD2 3.38Å; V695-L771 HydrophobicContact CG2-CG 4.31Å
696	Y	84.6	Confident	84	Confident	21 Å²	21	38.2 Å²	38.2	8%	0.082	21%	0.207	C	C	.	.	H	α-helix	trans	-68	-45.1	175.5	-70.3	-19.2	0	0	0	113	R449 E684 K692 N693 S694 W698 F699 D700 Y729	R449-Y696 WeakPolarHBondContact CD-OH 3.47Å; R449-Y696 HydrophobicContact CG-CE1 4.18Å; R449-Y696 WeakPolarHBondContact CG-OH 3.35Å; E684-Y696 PolarHBondContact OE1-OH 3.49Å; K692-Y696 HydrophobicContact CD-CE2 4.27Å; K692-Y696 VanDerWaalsContact CE-CE2 3.49Å; K692-Y696 WeakPolarHBondContact CE-OH 3.42Å; K692-Y696 HydrophobicContact CG-CD2 4.23Å; K692-Y696 HydrophobicContact CG-CE2 3.78Å; K692-Y696 PolarHBondContact NZ-OH 3.22Å; K692-Y696 WeakPolarHBondContact O-CD2 3.4Å; K692-Y696 VanDerWaalsContact O-CG 3.31Å; K692-Y696 PolarHBondContact O-N 2.91Å; N693-Y696 PolarHBondContact O-N 3.31Å; S694-Y696 VanDerWaalsContact C-N 3.33Å; S694-Y696 PolarHBondContact O-N 2.87Å; Y696-W698 VanDerWaalsContact C-N 3.28Å; Y696-W698 PolarHBondContact O-N 2.87Å; Y696-F699 PolarHBondContact O-N 3.41Å; Y696-D700 PolarHBondContact O-N 3.41Å; Y696-D700 VanDerWaalsContact O-N 3.09Å; Y696-Y729 WeakPolarHBondContact CB-OH 3.47Å
697	F	87.4	Confident	83.9	Confident	1 Å²	1	36.6 Å²	36.6	0%	0.004	19%	0.194	C	C	.	.	H	α-helix	trans	-60.6	-39.9	173.5	176.8	-89.5	0	0	0	111.4	N693 S694 F699 D700 L701 L725 Y729 V730 I738 F760 A763 I767	N693-F697 PolarHBondContact O-N 2.73Å; S694-F697 PolarHBondContact O-N 3.17Å; F697-F699 PolarHBondContact O-N 3.18Å; F697-D700 PolarHBondContact O-N 2.88Å; F697-L701 HydrophobicContact CD1-CB 4.2Å; F697-L701 HydrophobicContact CD1-CD2 4.42Å; F697-L701 HydrophobicContact CE1-CB 4.07Å; F697-L701 HydrophobicContact CE1-CD2 3.73Å; F697-L701 HydrophobicContact CE1-CG 4.32Å; F697-L701 HydrophobicContact CZ-CB 4.48Å; F697-L701 HydrophobicContact CZ-CD1 4.45Å; F697-L701 HydrophobicContact CZ-CD2 4.36Å; F697-L701 WeakPolarHBondContact O-CB 3.42Å; F697-L701 PolarHBondContact O-N 3.06Å; F697-L725 HydrophobicContact CD2-CD2 3.9Å; F697-L725 HydrophobicContact CE2-CB 4.35Å; F697-L725 HydrophobicContact CE2-CD2 3.98Å; F697-Y729 HydrophobicContact CB-CD1 3.87Å; F697-Y729 HydrophobicContact CB-CD2 4.33Å; F697-Y729 HydrophobicContact CB-CE1 4.03Å; F697-Y729 HydrophobicContact CB-CE2 4.45Å; F697-Y729 HydrophobicContact CB-CG 4.03Å; F697-Y729 HydrophobicContact CD2-CD1 4.4Å; F697-Y729 AromaticContact CD2-CD2 3.69Å; F697-Y729 HydrophobicContact CD2-CD2 3.69Å; F697-Y729 HydrophobicContact CD2-CE2 4.39Å; F697-Y729 AromaticContact CD2-CG 3.7Å; F697-Y729 HydrophobicContact CD2-CG 3.7Å; F697-Y729 HydrophobicContact CG-CD2 4.5Å; F697-Y729 HydrophobicContact CG-CG 4.35Å; F697-V730 HydrophobicContact CE2-CG2 4.03Å; F697-I738 HydrophobicContact CB-CD1 3.99Å; F697-I738 HydrophobicContact CB-CG1 4.37Å; F697-I738 HydrophobicContact CD1-CD1 4.18Å; F697-I738 HydrophobicContact CD2-CD1 3.69Å; F697-I738 HydrophobicContact CE2-CD1 4.11Å; F697-I738 HydrophobicContact CG-CD1 3.69Å; F697-I738 HydrophobicContact CZ-CD1 4.49Å; F697-F760 HydrophobicContact CE2-CD1 4.34Å; F697-F760 HydrophobicContact CE2-CE1 4.48Å; F697-F760 HydrophobicContact CZ-CB 4.29Å; F697-F760 AromaticContact CZ-CD1 3.86Å; F697-F760 HydrophobicContact CZ-CD1 3.86Å; F697-F760 HydrophobicContact CZ-CE1 4.45Å; F697-F760 HydrophobicContact CZ-CG 4.17Å; F697-A763 HydrophobicContact CE1-CB 4.17Å; F697-A763 HydrophobicContact CZ-CB 4.08Å; F697-I767 HydrophobicContact CB-CD1 4.15Å; F697-I767 HydrophobicContact CD1-CD1 3.06Å; F697-I767 HydrophobicContact CE1-CD1 3.48Å; F697-I767 VanDerWaalsContact CE1-CD1 3.48Å; F697-I767 HydrophobicContact CG-CD1 3.81Å
698	W	88.1	Confident	83.9	Confident	4 Å²	4	33.9 Å²	33.9	2%	0.015	17%	0.165	C	C	.	.	H	α-helix	trans	-52.5	-50.7	175.4	171.8	-98.8	0	0	0	112.2	L666 L669 S694 V695 Y696 L701 Q702 E764 I767 L768	L666-W698 HydrophobicContact CD2-CH2 3.28Å; L666-W698 HydrophobicContact CD2-CZ2 3.66Å; L666-W698 HydrophobicContact CD2-CZ3 4.17Å; L669-W698 HydrophobicContact CD1-CD2 4.32Å; L669-W698 HydrophobicContact CD1-CG 4.46Å; L669-W698 HydrophobicContact CD1-CZ2 4.39Å; S694-W698 WeakPolarHBondContact O-CB 3.24Å; S694-W698 PolarHBondContact O-N 3.39Å; V695-W698 WeakPolarHBondContact O-CB 3.46Å; V695-W698 PolarHBondContact O-N 2.85Å; Y696-W698 VanDerWaalsContact C-N 3.28Å; Y696-W698 PolarHBondContact O-N 2.87Å; W698-L701 PolarHBondContact O-N 3.34Å; W698-Q702 HydrophobicContact CD2-CG 4.32Å; W698-Q702 HydrophobicContact CH2-CG 4.41Å; W698-Q702 HydrophobicContact CZ2-CG 3.95Å; W698-Q702 VanDerWaalsContact CZ3-NE2 3.26Å; W698-Q702 WeakPolarHBondContact O-CG 3.33Å; W698-Q702 PolarHBondContact O-N 3.39Å; W698-E764 HydrophobicContact CE3-CG 4.08Å; W698-E764 WeakPolarHBondContact CH2-OE1 3.37Å; W698-E764 HydrophobicContact CZ3-CG 3.54Å; W698-E764 WeakPolarHBondContact CZ3-OE1 3.26Å; W698-I767 HydrophobicContact CB-CG2 4.49Å; W698-L768 HydrophobicContact CE3-CD2 3.88Å; W698-L768 HydrophobicContact CE3-CG 4.21Å; W698-L768 HydrophobicContact CH2-CD1 4.17Å; W698-L768 HydrophobicContact CH2-CD2 3.95Å; W698-L768 HydrophobicContact CH2-CG 4.44Å; W698-L768 HydrophobicContact CZ3-CD1 3.73Å; W698-L768 HydrophobicContact CZ3-CD2 3.56Å; W698-L768 HydrophobicContact CZ3-CG 3.74Å
699	F	83.7	Confident	83.2	Confident	54 Å²	54	34.9 Å²	34.9	24%	0.237	17%	0.166	C	C	.	.	H	α-helix	trans	-67.7	-40.4	178.9	-74.3	-62.4	0	0	0	113.5	L669 E672 T680 V695 Y696 F697 L701 A703	L669-F699 HydrophobicContact CD2-CZ 4.42Å; E672-F699 HydrophobicContact CB-CZ 4.09Å; E672-F699 HydrophobicContact CG-CZ 4.39Å; E672-F699 WeakPolarHBondContact OE2-CZ 3.33Å; T680-F699 HydrophobicContact CG2-CE2 3.87Å; V695-F699 HydrophobicContact CG1-CD2 4.01Å; V695-F699 HydrophobicContact CG1-CE2 3.62Å; V695-F699 VanDerWaalsContact O-CD2 3.24Å; V695-F699 WeakPolarHBondContact O-CD2 3.41Å; V695-F699 PolarHBondContact O-N 3.16Å; Y696-F699 PolarHBondContact O-N 3.41Å; F697-F699 PolarHBondContact O-N 3.18Å; F699-L701 VanDerWaalsContact C-N 3.28Å; F699-L701 PolarHBondContact O-N 2.97Å; F699-A703 PolarHBondContact O-N 2.86Å
700	D	83.4	Confident	82.7	Confident	40 Å²	40	30 Å²	30	21%	0.214	15%	0.145	C	C	.	.	H	α-helix	trans	-69.2	-26.9	177	-71.6	-32.7	0	0	0	112.3	Y696 F697 Y704 Q721 L725 Y729	Y696-D700 PolarHBondContact O-N 3.41Å; Y696-D700 VanDerWaalsContact O-N 3.09Å; F697-D700 PolarHBondContact O-N 2.88Å; D700-Y704 PolarHBondContact O-N 3.44Å; D700-Q721 PolarHBondContact O-NE2 3.49Å; D700-L725 HydrophobicContact CB-CD2 3.58Å; D700-Y729 HydrophobicContact CB-CE2 4.33Å; D700-Y729 WeakPolarHBondContact OD2-CE2 3.13Å; D700-Y729 PolarHBondContact OD2-OH 2.76Å
701	L	85.8	Confident	81.7	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-75.8	-44.9	174.7	178.4	66.9	0	0	0	112	F697 W698 F699 A703 Y704 H705 L725 F760 E764	F697-L701 HydrophobicContact CD1-CB 4.2Å; F697-L701 HydrophobicContact CD1-CD2 4.42Å; F697-L701 HydrophobicContact CE1-CB 4.07Å; F697-L701 HydrophobicContact CE1-CD2 3.73Å; F697-L701 HydrophobicContact CE1-CG 4.32Å; F697-L701 HydrophobicContact CZ-CB 4.48Å; F697-L701 HydrophobicContact CZ-CD1 4.45Å; F697-L701 HydrophobicContact CZ-CD2 4.36Å; F697-L701 WeakPolarHBondContact O-CB 3.42Å; F697-L701 PolarHBondContact O-N 3.06Å; W698-L701 PolarHBondContact O-N 3.34Å; F699-L701 VanDerWaalsContact C-N 3.28Å; F699-L701 PolarHBondContact O-N 2.97Å; L701-A703 PolarHBondContact O-N 3.22Å; L701-Y704 HydrophobicContact CD1-CD1 3.79Å; L701-Y704 HydrophobicContact CD1-CE1 4.49Å; L701-Y704 CarbonylContact O-C 3.47Å; L701-Y704 WeakPolarHBondContact O-CA 3.48Å; L701-Y704 VanDerWaalsContact O-CB 3.29Å; L701-Y704 WeakPolarHBondContact O-CB 3.43Å; L701-Y704 PolarHBondContact O-N 3.31Å; L701-H705 PolarHBondContact O-N 3.03Å; L701-L725 HydrophobicContact CD1-CD1 4.22Å; L701-F760 HydrophobicContact CD1-CB 3.58Å; L701-F760 HydrophobicContact CD1-CD2 3.67Å; L701-F760 HydrophobicContact CD1-CG 3.86Å; L701-F760 HydrophobicContact CD2-CB 4.3Å; L701-E764 HydrophobicContact CD2-CB 3.71Å; L701-E764 HydrophobicContact CD2-CG 3.83Å
702	Q	83.9	Confident	80.6	Confident	22 Å²	22	36.3 Å²	36.3	10%	0.103	18%	0.181	C	C	.	.	H	α-helix	trans	-64.1	-31.1	175.9	-62.2	-52.3	-24.1	0	0	111.4	W698 H705 Q706 E764	W698-Q702 HydrophobicContact CD2-CG 4.32Å; W698-Q702 HydrophobicContact CH2-CG 4.41Å; W698-Q702 HydrophobicContact CZ2-CG 3.95Å; W698-Q702 VanDerWaalsContact CZ3-NE2 3.26Å; W698-Q702 WeakPolarHBondContact O-CG 3.33Å; W698-Q702 PolarHBondContact O-N 3.39Å; Q702-H705 PolarHBondContact O-N 3.37Å; Q702-H705 PolarHBondContact OE1-ND1 3.39Å; Q702-Q706 WeakPolarHBondContact O-CG 3.46Å; Q702-Q706 PolarHBondContact O-N 3.02Å; Q702-E764 PolarHBondContact NE2-OE1 3.04Å
703	A	79.8	Confident	80.1	Confident	40 Å²	40	35.3 Å²	35.3	33%	0.331	18%	0.178	S	C	.	.	H	α-helix	trans	-66.3	-33.1	168.7	0	0	0	0	0	113.4	F699 L701	F699-A703 PolarHBondContact O-N 2.86Å; L701-A703 PolarHBondContact O-N 3.22Å
704	Y	84.2	Confident	79.5	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-67.5	-45.6	170.7	165.4	-99.2	0	0	0	111.7	D700 L701 Q706 L707 F708 V718 Q721 A722 L725 F756 F760	D700-Y704 PolarHBondContact O-N 3.44Å; L701-Y704 HydrophobicContact CD1-CD1 3.79Å; L701-Y704 HydrophobicContact CD1-CE1 4.49Å; L701-Y704 CarbonylContact O-C 3.47Å; L701-Y704 WeakPolarHBondContact O-CA 3.48Å; L701-Y704 VanDerWaalsContact O-CB 3.29Å; L701-Y704 WeakPolarHBondContact O-CB 3.43Å; L701-Y704 PolarHBondContact O-N 3.31Å; Y704-Q706 VanDerWaalsContact C-N 3.34Å; Y704-Q706 PolarHBondContact O-N 3.3Å; Y704-L707 WeakPolarHBondContact O-CB 3.38Å; Y704-L707 PolarHBondContact O-N 3.23Å; Y704-F708 HydrophobicContact CD1-CE2 4.24Å; Y704-F708 HydrophobicContact CD2-CE2 4.25Å; Y704-F708 AromaticContact CE1-CE2 3.7Å; Y704-F708 HydrophobicContact CE1-CE2 3.7Å; Y704-F708 HydrophobicContact CE1-CZ 4.41Å; Y704-F708 AromaticContact CE2-CE2 3.71Å; Y704-F708 HydrophobicContact CE2-CE2 3.71Å; Y704-F708 HydrophobicContact CE2-CZ 4.21Å; Y704-F708 HydrophobicContact CG-CE2 4.5Å; Y704-F708 AromaticContact CZ-CE2 3.43Å; Y704-F708 VanDerWaalsContact CZ-CE2 3.43Å; Y704-F708 AromaticContact CZ-CZ 3.83Å; Y704-V718 HydrophobicContact CD2-CG1 4.43Å; Y704-V718 HydrophobicContact CE2-CG1 3.72Å; Y704-Q721 HydrophobicContact CD2-CB 4.18Å; Y704-Q721 HydrophobicContact CD2-CG 3.94Å; Y704-Q721 HydrophobicContact CG-CG 4.38Å; Y704-A722 HydrophobicContact CE2-CB 3.8Å; Y704-L725 HydrophobicContact CD1-CD1 4.39Å; Y704-L725 HydrophobicContact CD2-CD1 4.3Å; Y704-L725 HydrophobicContact CG-CD1 3.88Å; Y704-F756 PolarHBondContact OH-O 2.89Å; Y704-F760 HydrophobicContact CD1-CD2 4.02Å; Y704-F760 HydrophobicContact CD1-CE2 4.34Å; Y704-F760 AromaticContact CE1-CD2 3.68Å; Y704-F760 HydrophobicContact CE1-CD2 3.68Å; Y704-F760 HydrophobicContact CE1-CE2 4.01Å; Y704-F760 HydrophobicContact CE2-CE2 4.42Å
705	H	82.1	Confident	79.2	Confident	15 Å²	15	40.7 Å²	40.7	7%	0.069	21%	0.208	C	C	.	.	H	α-helix	trans	-59.2	-42.3	176.3	-69.3	154.9	0	0	0	112.3	L701 Q702 L707 F708 Y709 E764	L701-H705 PolarHBondContact O-N 3.03Å; Q702-H705 PolarHBondContact O-N 3.37Å; Q702-H705 PolarHBondContact OE1-ND1 3.39Å; H705-L707 PolarHBondContact O-N 2.87Å; H705-L707 VanDerWaalsContact O-N 3.1Å; H705-F708 WeakPolarHBondContact O-CB 3.46Å; H705-F708 PolarHBondContact O-N 3.39Å; H705-Y709 HydrophobicContact CB-CE2 4.34Å; H705-Y709 WeakPolarHBondContact O-CD2 3.35Å; H705-Y709 WeakPolarHBondContact O-CE2 3.2Å; H705-E764 IonicContact CE1-OE2 2.95Å; H705-E764 PolarHBondContact CE1-OE2 2.97Å; H705-E764 VanDerWaalsContact CE1-OE2 3.24Å; H705-E764 IonicContact ND1-OE2 3.43Å
706	Q	79.3	Confident	78.9	Confident	98 Å²	98	48.5 Å²	48.5	46%	0.458	24%	0.242	S	C	.	.	H	α-helix	trans	-52.4	-33.5	176.8	-78.4	172.5	-7.7	0	0	113.7	Q702 Y704 F708 Y709 Q710	Q702-Q706 WeakPolarHBondContact O-CG 3.46Å; Q702-Q706 PolarHBondContact O-N 3.02Å; Y704-Q706 VanDerWaalsContact C-N 3.34Å; Y704-Q706 PolarHBondContact O-N 3.3Å; Q706-F708 PolarHBondContact O-N 3.03Å; Q706-Y709 PolarHBondContact O-N 3.46Å; Q706-Q710 PolarHBondContact O-N 2.96Å
707	L	79.8	Confident	78.7	Confident	18 Å²	18	49.9 Å²	49.9	9%	0.094	25%	0.249	C	C	.	.	H	α-helix	trans	-60.9	-30.7	175.8	-55.8	176.8	0	0	0	112.7	Y704 H705 Y709 K717 V718 Q721	Y704-L707 WeakPolarHBondContact O-CB 3.38Å; Y704-L707 PolarHBondContact O-N 3.23Å; H705-L707 PolarHBondContact O-N 2.87Å; H705-L707 VanDerWaalsContact O-N 3.1Å; L707-Y709 VanDerWaalsContact C-N 3.28Å; L707-Y709 PolarHBondContact O-N 3.33Å; L707-K717 HydrophobicContact CD1-CG 4.32Å; L707-K717 HydrophobicContact CD2-CD 4.04Å; L707-K717 HydrophobicContact CD2-CG 4.2Å; L707-V718 HydrophobicContact CB-CG2 3.98Å; L707-V718 HydrophobicContact CD1-CG2 4.18Å; L707-Q721 HydrophobicContact CD1-CB 4.06Å; L707-Q721 HydrophobicContact CD1-CG 4.31Å
708	F	76.9	Confident	78.6	Confident	4 Å²	4	49.9 Å²	49.9	2%	0.018	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-6.7	177.4	-67.4	-91.7	0	0	0	113.9	Y704 H705 Q706 V718 F756 E757 Y1115 R1118	Y704-F708 HydrophobicContact CD1-CE2 4.24Å; Y704-F708 HydrophobicContact CD2-CE2 4.25Å; Y704-F708 AromaticContact CE1-CE2 3.7Å; Y704-F708 HydrophobicContact CE1-CE2 3.7Å; Y704-F708 HydrophobicContact CE1-CZ 4.41Å; Y704-F708 AromaticContact CE2-CE2 3.71Å; Y704-F708 HydrophobicContact CE2-CE2 3.71Å; Y704-F708 HydrophobicContact CE2-CZ 4.21Å; Y704-F708 HydrophobicContact CG-CE2 4.5Å; Y704-F708 AromaticContact CZ-CE2 3.43Å; Y704-F708 VanDerWaalsContact CZ-CE2 3.43Å; Y704-F708 AromaticContact CZ-CZ 3.83Å; H705-F708 WeakPolarHBondContact O-CB 3.46Å; H705-F708 PolarHBondContact O-N 3.39Å; Q706-F708 PolarHBondContact O-N 3.03Å; F708-V718 HydrophobicContact CE1-CG1 4.15Å; F708-V718 HydrophobicContact CE2-CG1 3.63Å; F708-V718 HydrophobicContact CZ-CG1 3.34Å; F708-F756 VanDerWaalsContact CZ-C 3.49Å; F708-E757 HydrophobicContact CB-CB 4.15Å; F708-E757 HydrophobicContact CD1-CB 3.75Å; F708-E757 HydrophobicContact CD2-CB 4.12Å; F708-E757 HydrophobicContact CE1-CB 4.11Å; F708-E757 HydrophobicContact CE2-CB 4.45Å; F708-E757 HydrophobicContact CG-CB 3.74Å; F708-E757 HydrophobicContact CZ-CB 4.43Å; F708-Y1115 HydrophobicContact CE1-CE1 4.29Å; F708-R1118 VanDerWaalsContact O-CZ 3.28Å; F708-R1118 PolarHBondContact O-NE 3.41Å; F708-R1118 PolarHBondContact O-NH2 3.04Å
709	Y	71.4	Confident	78.4	Confident	72 Å²	72	51 Å²	51	28%	0.282	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.6	-2.5	175.9	-54.4	-91.4	0	0	0	113.9	H705 Q706 L707 W1013 M1122	H705-Y709 HydrophobicContact CB-CE2 4.34Å; H705-Y709 WeakPolarHBondContact O-CD2 3.35Å; H705-Y709 WeakPolarHBondContact O-CE2 3.2Å; Q706-Y709 PolarHBondContact O-N 3.46Å; L707-Y709 VanDerWaalsContact C-N 3.28Å; L707-Y709 PolarHBondContact O-N 3.33Å; Y709-W1013 HydrophobicContact CE1-CD2 4.09Å; Y709-W1013 AromaticContact CE1-CE3 3.78Å; Y709-W1013 HydrophobicContact CE1-CE3 3.78Å; Y709-W1013 HydrophobicContact CE1-CH2 4.12Å; Y709-W1013 HydrophobicContact CE1-CZ2 4.4Å; Y709-W1013 AromaticContact CE1-CZ3 3.82Å; Y709-W1013 HydrophobicContact CE1-CZ3 3.82Å; Y709-W1013 AromaticContact CZ-CE3 3.74Å; Y709-W1013 AromaticContact CZ-CZ3 3.84Å; Y709-W1013 WeakPolarHBondContact OH-CZ3 3.47Å; Y709-M1122 HydrophobicContact CD1-CE 4.03Å; Y709-M1122 HydrophobicContact CE1-CE 3.24Å
710	Q	71.3	Confident	78.5	Confident	61 Å²	61	55 Å²	55	29%	0.285	28%	0.275	S	S	.	.	S	Bend	trans	-66.7	141.9	174.5	-64.7	-168.1	-33.3	0	0	111.4	D467 Q706 T712 R1118	D467-Q710 PolarHBondContact OD1-NE2 3.08Å; Q706-Q710 PolarHBondContact O-N 2.96Å; Q710-T712 PolarHBondContact O-N 3.03Å; Q710-R1118 PolarHBondContact O-NH2 3.03Å
711	E	63.1	Low	78.6	Confident	129 Å²	129	55 Å²	55	60%	0.603	27%	0.273	S	S	*	.	S	Bend	trans	-56.3	-38.3	-178	-65	176.3	-149.3	0	0	111.6	V1005 K1007	E711-V1005 VanDerWaalsContact CD-CG1 3.41Å; E711-V1005 HydrophobicContact CG-CG1 4.01Å; E711-V1005 WeakPolarHBondContact OE1-CG1 3.38Å; E711-K1007 VanDerWaalsContact OE1-CE 3.25Å; E711-K1007 WeakPolarHBondContact OE1-CE 3.49Å; E711-K1007 IonicContact OE1-NZ 3.21Å
712	T	64.6	Low	78.6	Confident	105 Å²	105	55 Å²	55	64%	0.644	27%	0.273	S	S	*	.	S	Bend	trans	-106.6	128.3	168.9	48.9	0	0	0	0	110.8	Q710	Q710-T712 PolarHBondContact O-N 3.03Å
713	L	74.3	Confident	78.8	Confident	37 Å²	37	58.1 Å²	58.1	19%	0.194	29%	0.288	C	S	.	.			trans	-84.9	137	172.7	-170.4	71.8	0	0	0	109.9	P715 V718 Y1115	L713-P715 HydrophobicContact CD2-CG 4.45Å; L713-P715 WeakPolarHBondContact O-CD 3.5Å; L713-V718 HydrophobicContact CD1-CG2 3.96Å; L713-Y1115 HydrophobicContact CD2-CD1 3.64Å; L713-Y1115 HydrophobicContact CD2-CD2 3.61Å; L713-Y1115 HydrophobicContact CD2-CE1 4.16Å; L713-Y1115 HydrophobicContact CD2-CE2 4.15Å; L713-Y1115 HydrophobicContact CD2-CG 3.32Å
714	Q	76.1	Confident	79.2	Confident	68 Å²	68	59.7 Å²	59.7	32%	0.318	29%	0.286	S	S	.	.			trans	-112.8	90.8	169.1	-68.4	-172.9	-3.9	0	0	110	F716 K717 V718	Q714-F716 PolarHBondContact O-N 3.04Å; Q714-F716 VanDerWaalsContact O-N 3.09Å; Q714-K717 HydrophobicContact CB-CB 3.74Å; Q714-K717 WeakPolarHBondContact O-CB 3.21Å; Q714-K717 PolarHBondContact O-N 3.32Å; Q714-V718 PolarHBondContact O-N 3.4Å
715	P	79.2	Confident	79.2	Confident	63 Å²	63	59.7 Å²	59.7	41%	0.409	29%	0.286	S	S	.	.	H	α-helix	trans	-47.3	-42.9	-177.4	-33.8	38	0	0	0	114.4	L713 K717 V718 C719 Y1115	L713-P715 HydrophobicContact CD2-CG 4.45Å; L713-P715 WeakPolarHBondContact O-CD 3.5Å; P715-K717 PolarHBondContact O-N 3.24Å; P715-V718 PolarHBondContact O-N 2.98Å; P715-C719 PolarHBondContact O-N 2.91Å; P715-C719 PolarHBondContact O-SG 3.05Å; P715-Y1115 HydrophobicContact CB-CD2 4.49Å; P715-Y1115 HydrophobicContact CB-CE2 3.87Å; P715-Y1115 HydrophobicContact CG-CD2 4.06Å; P715-Y1115 HydrophobicContact CG-CE2 3.94Å
716	F	78.9	Confident	79.4	Confident	166 Å²	166	60 Å²	60	73%	0.728	29%	0.287	S	S	*	.	H	α-helix	trans	-65.5	-36.2	178.4	-172.3	-97.7	0	0	0	113.7	Q714 V718 K720	Q714-F716 PolarHBondContact O-N 3.04Å; Q714-F716 VanDerWaalsContact O-N 3.09Å; F716-V718 VanDerWaalsContact C-N 3.34Å; F716-K720 VanDerWaalsContact O-CB 3.31Å; F716-K720 WeakPolarHBondContact O-CB 3.46Å; F716-K720 PolarHBondContact O-N 2.94Å
717	K	80.5	Confident	79.7	Confident	50 Å²	50	58.2 Å²	58.2	22%	0.217	29%	0.289	C	S	.	.	H	α-helix	trans	-64.9	-40.3	175.2	-169.2	172.2	174.1	179.6	0	109.9	N465 D467 L707 Q714 P715 Q721	N465-K717 PolarHBondContact O-NZ 3.18Å; D467-K717 IonicContact OD1-NZ 2.61Å; D467-K717 PolarHBondContact OD1-NZ 3.5Å; D467-K717 IonicContact OD2-NZ 2.75Å; D467-K717 PolarHBondContact OD2-NZ 3.36Å; L707-K717 HydrophobicContact CD1-CG 4.32Å; L707-K717 HydrophobicContact CD2-CD 4.04Å; L707-K717 HydrophobicContact CD2-CG 4.2Å; Q714-K717 HydrophobicContact CB-CB 3.74Å; Q714-K717 WeakPolarHBondContact O-CB 3.21Å; Q714-K717 PolarHBondContact O-N 3.32Å; P715-K717 PolarHBondContact O-N 3.24Å; K717-Q721 WeakPolarHBondContact O-CB 3.49Å; K717-Q721 PolarHBondContact O-N 3.44Å; K717-Q721 VanDerWaalsContact O-N 3.09Å
718	V	83.9	Confident	80	Confident	1 Å²	1	58.2 Å²	58.2	1%	0.006	29%	0.29	C	S	.	.	H	α-helix	trans	-68.2	-49.9	176.1	-173.8	0	0	0	0	111.9	Y704 L707 F708 L713 Q714 P715 F716 K720 Q721 A722 P755	Y704-V718 HydrophobicContact CD2-CG1 4.43Å; Y704-V718 HydrophobicContact CE2-CG1 3.72Å; L707-V718 HydrophobicContact CB-CG2 3.98Å; L707-V718 HydrophobicContact CD1-CG2 4.18Å; F708-V718 HydrophobicContact CE1-CG1 4.15Å; F708-V718 HydrophobicContact CE2-CG1 3.63Å; F708-V718 HydrophobicContact CZ-CG1 3.34Å; L713-V718 HydrophobicContact CD1-CG2 3.96Å; Q714-V718 PolarHBondContact O-N 3.4Å; P715-V718 PolarHBondContact O-N 2.98Å; F716-V718 VanDerWaalsContact C-N 3.34Å; V718-K720 VanDerWaalsContact C-N 3.34Å; V718-K720 PolarHBondContact O-N 2.96Å; V718-Q721 PolarHBondContact O-N 3.18Å; V718-Q721 VanDerWaalsContact O-N 3.16Å; V718-A722 PolarHBondContact O-N 2.76Å; V718-P755 HydrophobicContact CB-CG 4.44Å; V718-P755 HydrophobicContact CG1-CB 4.32Å; V718-P755 HydrophobicContact CG1-CG 3.73Å
719	C	84.6	Confident	80.4	Confident	29 Å²	29	58 Å²	58	20%	0.196	29%	0.289	C	S	.	.	H	α-helix	trans	-54.6	-47.7	175.5	-67.2	0	0	0	0	112.1	P715 Q721 A722 Q723 P755	P715-C719 PolarHBondContact O-N 2.91Å; P715-C719 PolarHBondContact O-SG 3.05Å; C719-Q721 VanDerWaalsContact C-N 3.34Å; C719-Q721 PolarHBondContact O-N 3.4Å; C719-A722 PolarHBondContact O-N 2.68Å; C719-Q723 WeakPolarHBondContact O-CB 3.05Å; C719-Q723 VanDerWaalsContact O-CG 3.27Å; C719-Q723 WeakPolarHBondContact O-CG 3.18Å; C719-Q723 PolarHBondContact O-N 3.31Å; C719-P755 VanDerWaalsContact SG-CD 3.5Å
720	K	85.2	Confident	81	Confident	137 Å²	137	54.7 Å²	54.7	60%	0.596	28%	0.276	S	S	*	.	H	α-helix	trans	-64.1	-37.4	178.9	-171	171	-177.4	173.5	0	112.5	F716 V718 Y724	F716-K720 VanDerWaalsContact O-CB 3.31Å; F716-K720 WeakPolarHBondContact O-CB 3.46Å; F716-K720 PolarHBondContact O-N 2.94Å; V718-K720 VanDerWaalsContact C-N 3.34Å; V718-K720 PolarHBondContact O-N 2.96Å; K720-Y724 VanDerWaalsContact O-CB 3.26Å; K720-Y724 WeakPolarHBondContact O-CB 3.18Å; K720-Y724 PolarHBondContact O-N 3.19Å
721	Q	85	Confident	81.5	Confident	39 Å²	39	52.5 Å²	52.5	18%	0.182	27%	0.268	C	S	.	.	H	α-helix	trans	-72.3	-40.3	177.2	-173.9	67.2	8.7	0	0	112.2	D700 Y704 L707 K717 V718 C719 Y724 L725	D700-Q721 PolarHBondContact O-NE2 3.49Å; Y704-Q721 HydrophobicContact CD2-CB 4.18Å; Y704-Q721 HydrophobicContact CD2-CG 3.94Å; Y704-Q721 HydrophobicContact CG-CG 4.38Å; L707-Q721 HydrophobicContact CD1-CB 4.06Å; L707-Q721 HydrophobicContact CD1-CG 4.31Å; K717-Q721 WeakPolarHBondContact O-CB 3.49Å; K717-Q721 PolarHBondContact O-N 3.44Å; K717-Q721 VanDerWaalsContact O-N 3.09Å; V718-Q721 PolarHBondContact O-N 3.18Å; V718-Q721 VanDerWaalsContact O-N 3.16Å; C719-Q721 VanDerWaalsContact C-N 3.34Å; C719-Q721 PolarHBondContact O-N 3.4Å; Q721-Y724 PolarHBondContact O-N 2.99Å; Q721-L725 WeakPolarHBondContact O-CB 3.44Å; Q721-L725 WeakPolarHBondContact O-CG 3.49Å; Q721-L725 PolarHBondContact O-N 2.82Å
722	A	87.6	Confident	82.1	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-62.2	-46.2	174.3	0	0	0	0	0	111.9	Y704 V718 C719 Y724 L725 F726 I752 P755 L759 F760	Y704-A722 HydrophobicContact CE2-CB 3.8Å; V718-A722 PolarHBondContact O-N 2.76Å; C719-A722 PolarHBondContact O-N 2.68Å; A722-Y724 VanDerWaalsContact C-N 3.35Å; A722-Y724 PolarHBondContact O-N 3.24Å; A722-L725 PolarHBondContact O-N 3.34Å; A722-F726 WeakPolarHBondContact O-CB 3.33Å; A722-F726 PolarHBondContact O-N 3.1Å; A722-I752 HydrophobicContact CB-CG1 4.36Å; A722-P755 HydrophobicContact CB-CB 3.67Å; A722-P755 HydrophobicContact CB-CG 4.2Å; A722-L759 HydrophobicContact CB-CD2 4.06Å; A722-F760 HydrophobicContact CB-CE2 4.36Å
723	Q	87.3	Confident	82.6	Confident	88 Å²	88	51.1 Å²	51.1	41%	0.411	28%	0.275	S	S	.	.	H	α-helix	trans	-62.5	-40.4	175.4	-71.7	172	-9.8	0	0	111.9	C719 A727 I752	C719-Q723 WeakPolarHBondContact O-CB 3.05Å; C719-Q723 VanDerWaalsContact O-CG 3.27Å; C719-Q723 WeakPolarHBondContact O-CG 3.18Å; C719-Q723 PolarHBondContact O-N 3.31Å; Q723-A727 VanDerWaalsContact O-CB 3.28Å; Q723-A727 WeakPolarHBondContact O-CB 3.37Å; Q723-A727 PolarHBondContact O-N 3.37Å; Q723-I752 HydrophobicContact CG-CD1 4.25Å
724	Y	87	Confident	83	Confident	73 Å²	73	50 Å²	50	29%	0.286	27%	0.272	S	S	.	.	H	α-helix	trans	-62.7	-48.3	174.6	176.4	-104.7	0	0	0	112.2	K720 Q721 A722 F726 A727 T728	K720-Y724 VanDerWaalsContact O-CB 3.26Å; K720-Y724 WeakPolarHBondContact O-CB 3.18Å; K720-Y724 PolarHBondContact O-N 3.19Å; Q721-Y724 PolarHBondContact O-N 2.99Å; A722-Y724 VanDerWaalsContact C-N 3.35Å; A722-Y724 PolarHBondContact O-N 3.24Å; Y724-F726 PolarHBondContact O-N 3.27Å; Y724-A727 PolarHBondContact O-N 3.07Å; Y724-T728 WeakPolarHBondContact CE2-OG1 3.5Å; Y724-T728 WeakPolarHBondContact O-CB 3.36Å; Y724-T728 PolarHBondContact O-N 3Å; Y724-T728 PolarHBondContact O-OG1 3.42Å
725	L	85.5	Confident	83	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-57.9	-48.5	176.1	-80	172.3	0	0	0	111.6	F697 D700 L701 Y704 Q721 A722 T728 Y729 F760	F697-L725 HydrophobicContact CD2-CD2 3.9Å; F697-L725 HydrophobicContact CE2-CB 4.35Å; F697-L725 HydrophobicContact CE2-CD2 3.98Å; D700-L725 HydrophobicContact CB-CD2 3.58Å; L701-L725 HydrophobicContact CD1-CD1 4.22Å; Y704-L725 HydrophobicContact CD1-CD1 4.39Å; Y704-L725 HydrophobicContact CD2-CD1 4.3Å; Y704-L725 HydrophobicContact CG-CD1 3.88Å; Q721-L725 WeakPolarHBondContact O-CB 3.44Å; Q721-L725 WeakPolarHBondContact O-CG 3.49Å; Q721-L725 PolarHBondContact O-N 2.82Å; A722-L725 PolarHBondContact O-N 3.34Å; L725-T728 PolarHBondContact O-N 3.19Å; L725-Y729 HydrophobicContact CD2-CD2 4.17Å; L725-Y729 HydrophobicContact CD2-CE2 4.21Å; L725-Y729 PolarHBondContact O-N 2.83Å; L725-F760 HydrophobicContact CB-CE1 4.37Å; L725-F760 HydrophobicContact CB-CE2 4.2Å; L725-F760 HydrophobicContact CB-CZ 3.77Å; L725-F760 HydrophobicContact CD1-CD2 4.24Å; L725-F760 HydrophobicContact CD1-CE2 3.77Å; L725-F760 HydrophobicContact CD1-CZ 4.2Å
726	F	85.6	Confident	83	Confident	23 Å²	23	51.2 Å²	51.2	10%	0.101	28%	0.281	C	S	.	.	I	π-helix	trans	-61.3	-52.5	179.6	-178.5	-92.6	0	0	0	111.9	A722 Y724 T728 V730 A731 I748 Y749 I752	A722-F726 WeakPolarHBondContact O-CB 3.33Å; A722-F726 PolarHBondContact O-N 3.1Å; Y724-F726 PolarHBondContact O-N 3.27Å; F726-T728 VanDerWaalsContact C-N 3.3Å; F726-T728 PolarHBondContact O-N 3.28Å; F726-V730 HydrophobicContact CD2-CB 3.78Å; F726-V730 HydrophobicContact CD2-CG1 3.82Å; F726-V730 HydrophobicContact CE2-CB 4.18Å; F726-V730 HydrophobicContact CE2-CG1 3.85Å; F726-V730 HydrophobicContact CG-CB 4.38Å; F726-V730 CarbonylContact O-C 3.59Å; F726-V730 WeakPolarHBondContact O-CA 3.44Å; F726-V730 PolarHBondContact O-N 3.4Å; F726-A731 HydrophobicContact CD1-CB 4.34Å; F726-A731 HydrophobicContact CE1-CB 3.98Å; F726-A731 HydrophobicContact CZ-CB 4.5Å; F726-A731 PolarHBondContact O-N 3.18Å; F726-I748 HydrophobicContact CD2-CG2 3.92Å; F726-I748 HydrophobicContact CE2-CG2 4.39Å; F726-Y749 HydrophobicContact CD1-CD2 4.45Å; F726-Y749 AromaticContact CE1-CD2 3.66Å; F726-Y749 HydrophobicContact CE1-CD2 3.66Å; F726-Y749 HydrophobicContact CE1-CE2 4.32Å; F726-Y749 HydrophobicContact CE2-CD2 4.28Å; F726-Y749 AromaticContact CZ-CD2 3.56Å; F726-Y749 HydrophobicContact CZ-CD2 3.56Å; F726-Y749 HydrophobicContact CZ-CG 4.05Å; F726-I752 HydrophobicContact CB-CD1 3.48Å; F726-I752 VanDerWaalsContact CB-CD1 3.48Å; F726-I752 HydrophobicContact CD1-CD1 4.11Å; F726-I752 HydrophobicContact CD2-CD1 4.26Å; F726-I752 HydrophobicContact CG-CD1 3.69Å
727	A	86.3	Confident	83.3	Confident	60 Å²	60	45.6 Å²	45.6	50%	0.496	26%	0.259	S	S	.	.	I	π-helix	trans	-64.3	-33.6	-178.2	0	0	0	0	0	113.2	Q723 Y724	Q723-A727 VanDerWaalsContact O-CB 3.28Å; Q723-A727 WeakPolarHBondContact O-CB 3.37Å; Q723-A727 PolarHBondContact O-N 3.37Å; Y724-A727 PolarHBondContact O-N 3.07Å
728	T	85.2	Confident	83.3	Confident	18 Å²	18	43.2 Å²	43.2	11%	0.11	25%	0.248	C	C	.	.	I	π-helix	trans	-80.2	-35.6	-176.1	-56.9	0	0	0	0	112.9	Y724 L725 F726 A734 L736	Y724-T728 WeakPolarHBondContact CE2-OG1 3.5Å; Y724-T728 WeakPolarHBondContact O-CB 3.36Å; Y724-T728 PolarHBondContact O-N 3Å; Y724-T728 PolarHBondContact O-OG1 3.42Å; L725-T728 PolarHBondContact O-N 3.19Å; F726-T728 VanDerWaalsContact C-N 3.3Å; F726-T728 PolarHBondContact O-N 3.28Å; T728-A734 WeakPolarHBondContact O-CB 3.31Å; T728-L736 HydrophobicContact CG2-CD1 3.77Å; T728-L736 HydrophobicContact CG2-CG 4.41Å; T728-L736 WeakPolarHBondContact O-CB 3.08Å; T728-L736 PolarHBondContact O-N 2.97Å; T728-L736 VanDerWaalsContact O-N 3.14Å
729	Y	85.3	Confident	83	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	27%	0.265	C	S	.	.	I	π-helix	trans	-130.6	-23.1	-166.4	-61.5	-83.4	0	0	0	116.3	R452 Y696 F697 D700 L725 L736 D737 I738	R452-Y729 PolarHBondContact NH1-OH 3.44Å; Y696-Y729 WeakPolarHBondContact CB-OH 3.47Å; F697-Y729 HydrophobicContact CB-CD1 3.87Å; F697-Y729 HydrophobicContact CB-CD2 4.33Å; F697-Y729 HydrophobicContact CB-CE1 4.03Å; F697-Y729 HydrophobicContact CB-CE2 4.45Å; F697-Y729 HydrophobicContact CB-CG 4.03Å; F697-Y729 HydrophobicContact CD2-CD1 4.4Å; F697-Y729 AromaticContact CD2-CD2 3.69Å; F697-Y729 HydrophobicContact CD2-CD2 3.69Å; F697-Y729 HydrophobicContact CD2-CE2 4.39Å; F697-Y729 AromaticContact CD2-CG 3.7Å; F697-Y729 HydrophobicContact CD2-CG 3.7Å; F697-Y729 HydrophobicContact CG-CD2 4.5Å; F697-Y729 HydrophobicContact CG-CG 4.35Å; D700-Y729 HydrophobicContact CB-CE2 4.33Å; D700-Y729 WeakPolarHBondContact OD2-CE2 3.13Å; D700-Y729 PolarHBondContact OD2-OH 2.76Å; L725-Y729 HydrophobicContact CD2-CD2 4.17Å; L725-Y729 HydrophobicContact CD2-CE2 4.21Å; L725-Y729 PolarHBondContact O-N 2.83Å; Y729-L736 HydrophobicContact CD1-CB 3.53Å; Y729-L736 HydrophobicContact CD1-CD1 4.15Å; Y729-L736 WeakPolarHBondContact CD1-O 3.49Å; Y729-L736 HydrophobicContact CE1-CB 3.72Å; Y729-L736 HydrophobicContact CE1-CD1 3.52Å; Y729-L736 HydrophobicContact CE1-CG 4.29Å; Y729-L736 HydrophobicContact CG-CB 4.43Å; Y729-D737 WeakPolarHBondContact O-CA 3.36Å; Y729-I738 PolarHBondContact O-N 3.5Å
730	V	85.3	Confident	83	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.006	26%	0.258	C	S	.	.	I	π-helix	trans	-111.9	-29	-169.8	-172.6	0	0	0	0	112.6	F697 F726 I738 L740 K745 I748 F760	F697-V730 HydrophobicContact CE2-CG2 4.03Å; F726-V730 HydrophobicContact CD2-CB 3.78Å; F726-V730 HydrophobicContact CD2-CG1 3.82Å; F726-V730 HydrophobicContact CE2-CB 4.18Å; F726-V730 HydrophobicContact CE2-CG1 3.85Å; F726-V730 HydrophobicContact CG-CB 4.38Å; F726-V730 CarbonylContact O-C 3.59Å; F726-V730 WeakPolarHBondContact O-CA 3.44Å; F726-V730 PolarHBondContact O-N 3.4Å; V730-I738 HydrophobicContact CG2-CD1 4.44Å; V730-L740 HydrophobicContact CG1-CD2 4.35Å; V730-K745 HydrophobicContact CG1-CB 4.45Å; V730-K745 HydrophobicContact CG1-CG 3.98Å; V730-K745 WeakPolarHBondContact O-CD 3.5Å; V730-K745 WeakPolarHBondContact O-CE 3.41Å; V730-K745 WeakPolarHBondContact O-CG 3.49Å; V730-I748 HydrophobicContact CG1-CD1 4.06Å; V730-F760 HydrophobicContact CG2-CE1 4.28Å
731	A	82.2	Confident	82.9	Confident	16 Å²	16	42.5 Å²	42.5	13%	0.132	25%	0.254	C	S	.	.	S	Bend	trans	-57.8	149.7	179.7	0	0	0	0	0	112.2	F726 S733 A734	F726-A731 HydrophobicContact CD1-CB 4.34Å; F726-A731 HydrophobicContact CE1-CB 3.98Å; F726-A731 HydrophobicContact CZ-CB 4.5Å; F726-A731 PolarHBondContact O-N 3.18Å; A731-S733 PolarHBondContact O-N 3.07Å; A731-A734 HydrophobicContact CB-CB 4.32Å; A731-A734 WeakPolarHBondContact O-CB 3.39Å; A731-A734 PolarHBondContact O-N 3.23Å
732	P	75.3	Confident	82.7	Confident	84 Å²	84	44.6 Å²	44.6	55%	0.545	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-18.6	178.6	-26.3	36.4	0	0	0	115.1
733	S	74.9	Confident	82.4	Confident	120 Å²	120	49.9 Å²	49.9	84%	0.839	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.8	23.3	175.5	-47.4	0	0	0	0	112.5	A731	A731-S733 PolarHBondContact O-N 3.07Å
734	A	82.3	Confident	82.3	Confident	15 Å²	15	48 Å²	48	12%	0.124	28%	0.278	C	S	.	.			trans	-60.3	134.3	-179.7	0	0	0	0	0	111.8	T728 A731 L736 D737	T728-A734 WeakPolarHBondContact O-CB 3.31Å; A731-A734 HydrophobicContact CB-CB 4.32Å; A731-A734 WeakPolarHBondContact O-CB 3.39Å; A731-A734 PolarHBondContact O-N 3.23Å; A734-L736 PolarHBondContact O-N 3.25Å; A734-D737 HydrophobicContact CB-CB 4.2Å; A734-D737 PolarHBondContact O-N 3.43Å
735	T	76.5	Confident	82.2	Confident	125 Å²	125	45 Å²	45	77%	0.767	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-21.6	178.1	51.4	0	0	0	0	112.5
736	L	79.1	Confident	82.1	Confident	30 Å²	30	50.8 Å²	50.8	16%	0.157	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.8	44.3	179.1	-54.7	173.5	0	0	0	111.1	N693 T728 Y729 A734 I738	N693-L736 HydrophobicContact CB-CB 4.39Å; N693-L736 WeakPolarHBondContact ND2-CA 3.36Å; N693-L736 PolarHBondContact ND2-O 3.38Å; N693-L736 WeakPolarHBondContact OD1-CD2 3.4Å; T728-L736 HydrophobicContact CG2-CD1 3.77Å; T728-L736 HydrophobicContact CG2-CG 4.41Å; T728-L736 WeakPolarHBondContact O-CB 3.08Å; T728-L736 PolarHBondContact O-N 2.97Å; T728-L736 VanDerWaalsContact O-N 3.14Å; Y729-L736 HydrophobicContact CD1-CB 3.53Å; Y729-L736 HydrophobicContact CD1-CD1 4.15Å; Y729-L736 WeakPolarHBondContact CD1-O 3.49Å; Y729-L736 HydrophobicContact CE1-CB 3.72Å; Y729-L736 HydrophobicContact CE1-CD1 3.52Å; Y729-L736 HydrophobicContact CE1-CG 4.29Å; Y729-L736 HydrophobicContact CG-CB 4.43Å; A734-L736 PolarHBondContact O-N 3.25Å; L736-I738 PolarHBondContact O-N 3.06Å
737	D	83.9	Confident	82	Confident	48 Å²	48	54.9 Å²	54.9	26%	0.257	31%	0.312	S	S	.	.			trans	-51.6	132.5	-179.7	-167.6	1.6	0	0	0	112.2	N693 Y729 A734 G739 K745	N693-D737 PolarHBondContact ND2-O 2.86Å; Y729-D737 WeakPolarHBondContact O-CA 3.36Å; A734-D737 HydrophobicContact CB-CB 4.2Å; A734-D737 PolarHBondContact O-N 3.43Å; D737-G739 PolarHBondContact OD1-N 3.49Å; D737-K745 WeakPolarHBondContact OD1-CE 3.39Å; D737-K745 IonicContact OD1-NZ 3.35Å; D737-K745 PolarHBondContact OD1-NZ 3.34Å; D737-K745 IonicContact OD2-NZ 2.71Å; D737-K745 PolarHBondContact OD2-NZ 2.83Å
738	I	81.1	Confident	81.9	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.005	29%	0.289	C	S	.	.			trans	-80.8	-19.1	177	-62.4	150.1	0	0	0	111.3	F697 Y729 V730 L736 Y766 I767	F697-I738 HydrophobicContact CB-CD1 3.99Å; F697-I738 HydrophobicContact CB-CG1 4.37Å; F697-I738 HydrophobicContact CD1-CD1 4.18Å; F697-I738 HydrophobicContact CD2-CD1 3.69Å; F697-I738 HydrophobicContact CE2-CD1 4.11Å; F697-I738 HydrophobicContact CG-CD1 3.69Å; F697-I738 HydrophobicContact CZ-CD1 4.49Å; Y729-I738 PolarHBondContact O-N 3.5Å; V730-I738 HydrophobicContact CG2-CD1 4.44Å; L736-I738 PolarHBondContact O-N 3.06Å; I738-Y766 HydrophobicContact CG2-CD1 3.98Å; I738-Y766 HydrophobicContact CG2-CE1 3.97Å; I738-I767 HydrophobicContact CD1-CD1 3.8Å; I738-I767 HydrophobicContact CG1-CD1 4.2Å; I738-I767 HydrophobicContact CG2-CD1 3.83Å; I738-I767 HydrophobicContact CG2-CG1 3.54Å
739	G	78.4	Confident	81.9	Confident	34 Å²	34	58.1 Å²	58.1	35%	0.351	31%	0.31	S	S	.	.			trans	88.1	16.5	-175.9	0	0	0	0	0	114.3	D737 Y766	D737-G739 PolarHBondContact OD1-N 3.49Å; G739-Y766 PolarHBondContact O-OH 3.36Å
740	L	83.2	Confident	81.8	Confident	8 Å²	8	64.7 Å²	64.7	4%	0.042	34%	0.343	C	S	.	.			trans	-60.4	143.4	179.9	-171.5	69.5	0	0	0	112	V730 K744 K745 I748 A763 Y766	V730-L740 HydrophobicContact CG1-CD2 4.35Å; L740-K744 HydrophobicContact CD1-CB 4.3Å; L740-K744 HydrophobicContact CD1-CD 3.91Å; L740-K744 HydrophobicContact CD2-CB 3.95Å; L740-K744 HydrophobicContact CG-CB 3.99Å; L740-K744 HydrophobicContact CG-CD 4.48Å; L740-K745 HydrophobicContact CB-CG 4.14Å; L740-K745 HydrophobicContact CD2-CG 4.16Å; L740-K745 HydrophobicContact CG-CG 4.33Å; L740-K745 WeakPolarHBondContact O-CD 3.43Å; L740-K745 WeakPolarHBondContact O-CE 3.31Å; L740-I748 HydrophobicContact CD2-CD1 3.7Å; L740-A763 HydrophobicContact CD2-CB 4.13Å; L740-Y766 HydrophobicContact CB-CD1 4.4Å; L740-Y766 HydrophobicContact CB-CE1 4.45Å; L740-Y766 HydrophobicContact CD1-CD1 3.63Å; L740-Y766 HydrophobicContact CD1-CE1 4.31Å; L740-Y766 HydrophobicContact CD1-CG 3.82Å
741	Q	83.4	Confident	81.7	Confident	110 Å²	110	68.8 Å²	68.8	51%	0.514	36%	0.36	S	S	.	.			trans	-53.3	139.7	176.3	-70.7	173.6	-54.1	0	0	112.6	E743 K744 K745	Q741-E743 PolarHBondContact O-N 2.8Å; Q741-K744 HydrophobicContact CB-CD 4.45Å; Q741-K744 HydrophobicContact CB-CG 4.44Å; Q741-K744 PolarHBondContact O-N 2.66Å; Q741-K744 VanDerWaalsContact O-N 3.16Å; Q741-K744 VanDerWaalsContact OE1-CE 3.29Å; Q741-K745 WeakPolarHBondContact O-CG 3.23Å; Q741-K745 PolarHBondContact O-N 3.08Å
742	Q	80.5	Confident	81.7	Confident	82 Å²	82	69.1 Å²	69.1	38%	0.383	36%	0.359	S	S	.	.	H	α-helix	trans	-67.4	-23.8	-171.2	-172.2	64	-1	0	0	113	K746	Q742-K746 WeakPolarHBondContact O-CG 3.37Å; Q742-K746 PolarHBondContact O-N 2.89Å
743	E	81.8	Confident	81.8	Confident	111 Å²	111	70.8 Å²	70.8	52%	0.519	36%	0.36	S	S	.	.	H	α-helix	trans	-66	-54.7	173.3	-61.7	61.8	-131.6	0	0	109.5	Q741 K745 K746 E747	Q741-E743 PolarHBondContact O-N 2.8Å; E743-K745 VanDerWaalsContact C-N 3.31Å; E743-K745 PolarHBondContact O-N 3.49Å; E743-K746 WeakPolarHBondContact O-CB 3.25Å; E743-K746 PolarHBondContact O-N 2.93Å; E743-E747 PolarHBondContact O-N 3.26Å
744	K	84.8	Confident	82.1	Confident	48 Å²	48	65.9 Å²	65.9	21%	0.209	33%	0.325	C	S	.	.	H	α-helix	trans	-61.7	-36.8	176.8	-62.3	-179.4	178.5	-179.9	0	112.1	L740 Q741 K746 E747 I748	L740-K744 HydrophobicContact CD1-CB 4.3Å; L740-K744 HydrophobicContact CD1-CD 3.91Å; L740-K744 HydrophobicContact CD2-CB 3.95Å; L740-K744 HydrophobicContact CG-CB 3.99Å; L740-K744 HydrophobicContact CG-CD 4.48Å; Q741-K744 HydrophobicContact CB-CD 4.45Å; Q741-K744 HydrophobicContact CB-CG 4.44Å; Q741-K744 PolarHBondContact O-N 2.66Å; Q741-K744 VanDerWaalsContact O-N 3.16Å; Q741-K744 VanDerWaalsContact OE1-CE 3.29Å; K744-K746 VanDerWaalsContact C-N 3.29Å; K744-K746 PolarHBondContact O-N 3.32Å; K744-E747 PolarHBondContact O-N 3.27Å; K744-I748 WeakPolarHBondContact O-CG1 3.41Å; K744-I748 PolarHBondContact O-N 2.87Å
745	K	85.6	Confident	82.2	Confident	10 Å²	10	65.2 Å²	65.2	4%	0.043	32%	0.32	C	S	.	.	H	α-helix	trans	-59.5	-37.4	172.8	-72	-179	165	-173.8	0	112.3	V730 D737 L740 Q741 E743 Y749	V730-K745 HydrophobicContact CG1-CB 4.45Å; V730-K745 HydrophobicContact CG1-CG 3.98Å; V730-K745 WeakPolarHBondContact O-CD 3.5Å; V730-K745 WeakPolarHBondContact O-CE 3.41Å; V730-K745 WeakPolarHBondContact O-CG 3.49Å; D737-K745 WeakPolarHBondContact OD1-CE 3.39Å; D737-K745 IonicContact OD1-NZ 3.35Å; D737-K745 PolarHBondContact OD1-NZ 3.34Å; D737-K745 IonicContact OD2-NZ 2.71Å; D737-K745 PolarHBondContact OD2-NZ 2.83Å; L740-K745 HydrophobicContact CB-CG 4.14Å; L740-K745 HydrophobicContact CD2-CG 4.16Å; L740-K745 HydrophobicContact CG-CG 4.33Å; L740-K745 WeakPolarHBondContact O-CD 3.43Å; L740-K745 WeakPolarHBondContact O-CE 3.31Å; Q741-K745 WeakPolarHBondContact O-CG 3.23Å; Q741-K745 PolarHBondContact O-N 3.08Å; E743-K745 VanDerWaalsContact C-N 3.31Å; E743-K745 PolarHBondContact O-N 3.49Å; K745-Y749 PolarHBondContact O-N 3.29Å
746	K	82.9	Confident	82.6	Confident	123 Å²	123	59.4 Å²	59.4	54%	0.535	28%	0.284	S	S	.	.	H	α-helix	trans	-71.7	-41.6	174	-68.7	166.1	-177	173.2	0	112.2	Q742 E743 K744 I748 Y749 M750	Q742-K746 WeakPolarHBondContact O-CG 3.37Å; Q742-K746 PolarHBondContact O-N 2.89Å; E743-K746 WeakPolarHBondContact O-CB 3.25Å; E743-K746 PolarHBondContact O-N 2.93Å; K744-K746 VanDerWaalsContact C-N 3.29Å; K744-K746 PolarHBondContact O-N 3.32Å; K746-I748 PolarHBondContact O-N 3.25Å; K746-Y749 WeakPolarHBondContact O-CB 3.06Å; K746-Y749 PolarHBondContact O-N 3.44Å; K746-M750 WeakPolarHBondContact O-CG 3.49Å; K746-M750 PolarHBondContact O-N 3.25Å
747	E	83.3	Confident	82.8	Confident	109 Å²	109	58.6 Å²	58.6	51%	0.509	28%	0.279	S	S	.	.	H	α-helix	trans	-56.9	-47.7	176.9	-68.3	170.1	171.7	0	0	111.6	E743 K744 Y749 M750 K751	E743-E747 PolarHBondContact O-N 3.26Å; K744-E747 PolarHBondContact O-N 3.27Å; E747-Y749 VanDerWaalsContact C-N 3.34Å; E747-Y749 PolarHBondContact O-N 3.29Å; E747-M750 PolarHBondContact O-N 3.3Å; E747-K751 PolarHBondContact O-N 3.45Å
748	I	85.9	Confident	82.8	Confident	3 Å²	3	58.3 Å²	58.3	2%	0.015	28%	0.277	C	S	.	.	H	α-helix	trans	-62.8	-40.8	177	-63.3	167.2	0	0	0	110.9	F726 V730 L740 K744 K746 M750 K751 I752 L759 F760 A763	F726-I748 HydrophobicContact CD2-CG2 3.92Å; F726-I748 HydrophobicContact CE2-CG2 4.39Å; V730-I748 HydrophobicContact CG1-CD1 4.06Å; L740-I748 HydrophobicContact CD2-CD1 3.7Å; K744-I748 WeakPolarHBondContact O-CG1 3.41Å; K744-I748 PolarHBondContact O-N 2.87Å; K746-I748 PolarHBondContact O-N 3.25Å; I748-M750 PolarHBondContact O-N 2.9Å; I748-K751 PolarHBondContact O-N 3.17Å; I748-I752 PolarHBondContact O-N 2.99Å; I748-L759 HydrophobicContact CG2-CD1 4.13Å; I748-L759 HydrophobicContact CG2-CG 4.38Å; I748-F760 HydrophobicContact CD1-CD1 4.48Å; I748-F760 HydrophobicContact CG2-CD1 4Å; I748-F760 HydrophobicContact CG2-CE1 3.67Å; I748-F760 HydrophobicContact CG2-CZ 4.48Å; I748-A763 HydrophobicContact CD1-CB 4.19Å
749	Y	84.9	Confident	82.9	Confident	142 Å²	142	58.8 Å²	58.8	56%	0.557	28%	0.28	S	S	*	.	H	α-helix	trans	-61.4	-44.3	177.4	-177.3	-109.3	0	0	0	112.4	F726 K745 K746 E747 K751 I752	F726-Y749 HydrophobicContact CD1-CD2 4.45Å; F726-Y749 AromaticContact CE1-CD2 3.66Å; F726-Y749 HydrophobicContact CE1-CD2 3.66Å; F726-Y749 HydrophobicContact CE1-CE2 4.32Å; F726-Y749 HydrophobicContact CE2-CD2 4.28Å; F726-Y749 AromaticContact CZ-CD2 3.56Å; F726-Y749 HydrophobicContact CZ-CD2 3.56Å; F726-Y749 HydrophobicContact CZ-CG 4.05Å; K745-Y749 PolarHBondContact O-N 3.29Å; K746-Y749 WeakPolarHBondContact O-CB 3.06Å; K746-Y749 PolarHBondContact O-N 3.44Å; E747-Y749 VanDerWaalsContact C-N 3.34Å; E747-Y749 PolarHBondContact O-N 3.29Å; Y749-K751 VanDerWaalsContact C-N 3.25Å; Y749-K751 PolarHBondContact O-N 2.92Å; Y749-I752 VanDerWaalsContact O-CG2 3.23Å; Y749-I752 WeakPolarHBondContact O-CG2 3.26Å; Y749-I752 PolarHBondContact O-N 2.81Å
750	M	82.9	Confident	83.3	Confident	139 Å²	139	57.2 Å²	57.2	69%	0.685	26%	0.264	S	S	*	.	H	α-helix	trans	-66.5	-24.7	179.2	-65.6	-56.8	-60	0	0	113.4	K746 E747 I748	K746-M750 WeakPolarHBondContact O-CG 3.49Å; K746-M750 PolarHBondContact O-N 3.25Å; E747-M750 PolarHBondContact O-N 3.3Å; I748-M750 PolarHBondContact O-N 2.9Å
751	K	83.2	Confident	83.5	Confident	87 Å²	87	57.4 Å²	57.4	38%	0.378	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	5.7	179.7	-65.4	-156.2	177.8	-156.8	0	114.5	E747 I748 Y749 Q753 L759 D1062 H1065	E747-K751 PolarHBondContact O-N 3.45Å; I748-K751 PolarHBondContact O-N 3.17Å; Y749-K751 VanDerWaalsContact C-N 3.25Å; Y749-K751 PolarHBondContact O-N 2.92Å; K751-Q753 VanDerWaalsContact C-N 3.25Å; K751-Q753 PolarHBondContact O-N 2.85Å; K751-L759 HydrophobicContact CB-CD1 3.59Å; K751-L759 WeakPolarHBondContact O-CD1 3.39Å; K751-D1062 IonicContact NZ-OD1 2.68Å; K751-D1062 PolarHBondContact NZ-OD1 3.07Å; K751-H1065 PolarHBondContact O-NE2 3.31Å
752	I	82.8	Confident	83.5	Confident	22 Å²	22	54 Å²	54	11%	0.113	25%	0.252	C	S	.	.			trans	-70.2	-17.8	-172	-154.7	170.2	0	0	0	114.3	A722 Q723 F726 I748 Y749 P755 L759	A722-I752 HydrophobicContact CB-CG1 4.36Å; Q723-I752 HydrophobicContact CG-CD1 4.25Å; F726-I752 HydrophobicContact CB-CD1 3.48Å; F726-I752 VanDerWaalsContact CB-CD1 3.48Å; F726-I752 HydrophobicContact CD1-CD1 4.11Å; F726-I752 HydrophobicContact CD2-CD1 4.26Å; F726-I752 HydrophobicContact CG-CD1 3.69Å; I748-I752 PolarHBondContact O-N 2.99Å; Y749-I752 VanDerWaalsContact O-CG2 3.23Å; Y749-I752 WeakPolarHBondContact O-CG2 3.26Å; Y749-I752 PolarHBondContact O-N 2.81Å; I752-P755 WeakPolarHBondContact O-CD 3.5Å; I752-L759 HydrophobicContact CG1-CD2 4.42Å
753	Q	77.4	Confident	83.8	Confident	120 Å²	120	50.1 Å²	50.1	56%	0.561	23%	0.234	S	C	*	.	S	Bend	trans	-143	113.7	-177.6	-178.2	168.5	-19.8	0	0	111.2	K751	K751-Q753 VanDerWaalsContact C-N 3.25Å; K751-Q753 PolarHBondContact O-N 2.85Å
754	P	80.3	Confident	84.1	Confident	17 Å²	17	45 Å²	45	11%	0.11	21%	0.21	C	C	.	.	S	Bend	cis	-70.8	140.8	-7.9	29.1	-34.4	0	0	0	112.8	F756 C1064 H1065 P1114	P754-F756 HydrophobicContact CB-CE2 4.45Å; P754-F756 HydrophobicContact CB-CZ 4.27Å; P754-F756 HydrophobicContact CG-CE2 3.78Å; P754-F756 HydrophobicContact CG-CZ 3.7Å; P754-F756 WeakPolarHBondContact O-CD2 3.5Å; P754-C1064 HydrophobicContact CG-CB 3.91Å; P754-H1065 PolarHBondContact O-NE2 2.88Å; P754-P1114 HydrophobicContact CB-CB 3.79Å; P754-P1114 HydrophobicContact CB-CG 3.7Å; P754-P1114 HydrophobicContact CG-CB 3.67Å; P754-P1114 HydrophobicContact CG-CG 3.73Å
755	P	85	Confident	84.1	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.206	C	C	.	.			trans	-78.7	136.8	178.1	33.8	-38.6	0	0	0	112.2	V718 C719 A722 I752 L759 Y1115	V718-P755 HydrophobicContact CB-CG 4.44Å; V718-P755 HydrophobicContact CG1-CB 4.32Å; V718-P755 HydrophobicContact CG1-CG 3.73Å; C719-P755 VanDerWaalsContact SG-CD 3.5Å; A722-P755 HydrophobicContact CB-CB 3.67Å; A722-P755 HydrophobicContact CB-CG 4.2Å; I752-P755 WeakPolarHBondContact O-CD 3.5Å; P755-L759 HydrophobicContact CB-CD2 3.81Å; P755-Y1115 WeakPolarHBondContact CD-OH 3.34Å; P755-Y1115 WeakPolarHBondContact O-CE1 3.44Å; P755-Y1115 PolarHBondContact O-OH 3.22Å; P755-Y1115 VanDerWaalsContact O-OH 3.13Å
756	F	85.2	Confident	84.1	Confident	4 Å²	4	46.7 Å²	46.7	2%	0.018	22%	0.216	C	C	.	.			trans	-120.1	168.3	179.1	-63.9	-69.6	0	0	0	112.5	Y704 F708 P754 D758 L759 K1061 C1064 H1065 P1114 Y1115	Y704-F756 PolarHBondContact OH-O 2.89Å; F708-F756 VanDerWaalsContact CZ-C 3.49Å; P754-F756 HydrophobicContact CB-CE2 4.45Å; P754-F756 HydrophobicContact CB-CZ 4.27Å; P754-F756 HydrophobicContact CG-CE2 3.78Å; P754-F756 HydrophobicContact CG-CZ 3.7Å; P754-F756 WeakPolarHBondContact O-CD2 3.5Å; F756-D758 WeakPolarHBondContact CB-OD1 3.45Å; F756-D758 PolarHBondContact O-N 2.87Å; F756-D758 VanDerWaalsContact O-N 3.08Å; F756-L759 VanDerWaalsContact O-CB 3.24Å; F756-L759 WeakPolarHBondContact O-CB 3.44Å; F756-L759 PolarHBondContact O-N 3.36Å; F756-L759 VanDerWaalsContact O-N 3.12Å; F756-K1061 HydrophobicContact CB-CD 3.99Å; F756-K1061 HydrophobicContact CD1-CD 3.68Å; F756-K1061 HydrophobicContact CD1-CG 4.07Å; F756-K1061 HydrophobicContact CD2-CB 3.92Å; F756-K1061 HydrophobicContact CD2-CD 3.76Å; F756-K1061 HydrophobicContact CD2-CG 4.07Å; F756-K1061 HydrophobicContact CE1-CB 4.46Å; F756-K1061 HydrophobicContact CE1-CD 3.99Å; F756-K1061 HydrophobicContact CE1-CG 3.83Å; F756-K1061 HydrophobicContact CE2-CB 3.54Å; F756-K1061 HydrophobicContact CE2-CD 4.05Å; F756-K1061 HydrophobicContact CE2-CG 3.82Å; F756-K1061 HydrophobicContact CG-CD 3.55Å; F756-K1061 HydrophobicContact CG-CG 4.18Å; F756-K1061 HydrophobicContact CZ-CB 3.84Å; F756-K1061 HydrophobicContact CZ-CD 4.16Å; F756-K1061 HydrophobicContact CZ-CG 3.68Å; F756-C1064 HydrophobicContact CZ-CB 4.47Å; F756-H1065 AromaticContact CD2-CE1 3.55Å; F756-H1065 AromaticContact CD2-NE2 3.66Å; F756-H1065 AromaticContact CE2-CE1 3.7Å; F756-H1065 AromaticContact CE2-NE2 3.63Å; F756-P1114 HydrophobicContact CE1-CB 4.13Å; F756-P1114 WeakPolarHBondContact CE1-O 3.28Å; F756-P1114 HydrophobicContact CZ-CB 3.97Å; F756-Y1115 HydrophobicContact CD1-CD1 4.18Å; F756-Y1115 AromaticContact CD1-CE1 3.9Å; F756-Y1115 HydrophobicContact CD1-CE1 3.9Å; F756-Y1115 HydrophobicContact CE1-CD1 4.04Å; F756-Y1115 AromaticContact CE1-CE1 3.94Å; F756-Y1115 HydrophobicContact CE1-CE1 3.94Å
757	E	82.3	Confident	84.4	Confident	12 Å²	12	40.9 Å²	40.9	6%	0.056	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-1.8	-173.6	77.6	-74.5	179.7	0	0	114.7	F708 R1024 K1061 M1122	F708-E757 HydrophobicContact CB-CB 4.15Å; F708-E757 HydrophobicContact CD1-CB 3.75Å; F708-E757 HydrophobicContact CD2-CB 4.12Å; F708-E757 HydrophobicContact CE1-CB 4.11Å; F708-E757 HydrophobicContact CE2-CB 4.45Å; F708-E757 HydrophobicContact CG-CB 3.74Å; F708-E757 HydrophobicContact CZ-CB 4.43Å; E757-R1024 VanDerWaalsContact CG-NH2 3.34Å; E757-R1024 VanDerWaalsContact O-CZ 3.28Å; E757-R1024 PolarHBondContact O-NH1 3.47Å; E757-R1024 PolarHBondContact O-NH2 3.33Å; E757-K1061 IonicContact OE1-NZ 3.9Å; E757-K1061 PolarHBondContact OE1-NZ 2.87Å; E757-K1061 IonicContact OE2-NZ 3.04Å; E757-K1061 PolarHBondContact OE2-NZ 3.36Å; E757-M1122 HydrophobicContact CG-SD 4.48Å
758	D	83.3	Confident	84.5	Confident	42 Å²	42	35.7 Å²	35.7	23%	0.225	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116	1.9	178.5	46.1	9.1	0	0	0	113.5	F756 F760 D761 Q1058 K1061	F756-D758 WeakPolarHBondContact CB-OD1 3.45Å; F756-D758 PolarHBondContact O-N 2.87Å; F756-D758 VanDerWaalsContact O-N 3.08Å; D758-F760 VanDerWaalsContact C-N 3.27Å; D758-F760 PolarHBondContact O-N 3.35Å; D758-D761 VanDerWaalsContact CA-OD1 3.32Å; D758-D761 WeakPolarHBondContact CA-OD1 3.42Å; D758-D761 PolarHBondContact O-N 3.16Å; D758-Q1058 PolarHBondContact OD2-NE2 3.03Å; D758-Q1058 PolarHBondContact OD2-OE1 2.95Å; D758-K1061 IonicContact OD1-NZ 2.65Å; D758-K1061 IonicContact OD2-NZ 3.59Å; D758-K1061 PolarHBondContact OD2-NZ 3.48Å
759	L	84.9	Confident	84.5	Confident	12 Å²	12	39.1 Å²	39.1	6%	0.063	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-32.7	-176.1	176.2	60.1	0	0	0	114.2	A722 I748 K751 I752 P755 F756	A722-L759 HydrophobicContact CB-CD2 4.06Å; I748-L759 HydrophobicContact CG2-CD1 4.13Å; I748-L759 HydrophobicContact CG2-CG 4.38Å; K751-L759 HydrophobicContact CB-CD1 3.59Å; K751-L759 WeakPolarHBondContact O-CD1 3.39Å; I752-L759 HydrophobicContact CG1-CD2 4.42Å; P755-L759 HydrophobicContact CB-CD2 3.81Å; F756-L759 VanDerWaalsContact O-CB 3.24Å; F756-L759 WeakPolarHBondContact O-CB 3.44Å; F756-L759 PolarHBondContact O-N 3.36Å; F756-L759 VanDerWaalsContact O-N 3.12Å
760	F	86.4	Confident	84.5	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.5	6.3	-173.5	-66.9	-71.4	0	0	0	113.9	F697 L701 Y704 A722 L725 V730 I748 D758 T762 A763 E764	F697-F760 HydrophobicContact CE2-CD1 4.34Å; F697-F760 HydrophobicContact CE2-CE1 4.48Å; F697-F760 HydrophobicContact CZ-CB 4.29Å; F697-F760 AromaticContact CZ-CD1 3.86Å; F697-F760 HydrophobicContact CZ-CD1 3.86Å; F697-F760 HydrophobicContact CZ-CE1 4.45Å; F697-F760 HydrophobicContact CZ-CG 4.17Å; L701-F760 HydrophobicContact CD1-CB 3.58Å; L701-F760 HydrophobicContact CD1-CD2 3.67Å; L701-F760 HydrophobicContact CD1-CG 3.86Å; L701-F760 HydrophobicContact CD2-CB 4.3Å; Y704-F760 HydrophobicContact CD1-CD2 4.02Å; Y704-F760 HydrophobicContact CD1-CE2 4.34Å; Y704-F760 AromaticContact CE1-CD2 3.68Å; Y704-F760 HydrophobicContact CE1-CD2 3.68Å; Y704-F760 HydrophobicContact CE1-CE2 4.01Å; Y704-F760 HydrophobicContact CE2-CE2 4.42Å; A722-F760 HydrophobicContact CB-CE2 4.36Å; L725-F760 HydrophobicContact CB-CE1 4.37Å; L725-F760 HydrophobicContact CB-CE2 4.2Å; L725-F760 HydrophobicContact CB-CZ 3.77Å; L725-F760 HydrophobicContact CD1-CD2 4.24Å; L725-F760 HydrophobicContact CD1-CE2 3.77Å; L725-F760 HydrophobicContact CD1-CZ 4.2Å; V730-F760 HydrophobicContact CG2-CE1 4.28Å; I748-F760 HydrophobicContact CD1-CD1 4.48Å; I748-F760 HydrophobicContact CG2-CD1 4Å; I748-F760 HydrophobicContact CG2-CE1 3.67Å; I748-F760 HydrophobicContact CG2-CZ 4.48Å; D758-F760 VanDerWaalsContact C-N 3.27Å; D758-F760 PolarHBondContact O-N 3.35Å; F760-T762 PolarHBondContact O-N 3.12Å; F760-T762 VanDerWaalsContact O-N 3.08Å; F760-A763 CarbonylContact O-C 3.58Å; F760-A763 WeakPolarHBondContact O-CA 3.28Å; F760-A763 WeakPolarHBondContact O-CB 3.49Å; F760-A763 PolarHBondContact O-N 3.17Å; F760-E764 PolarHBondContact O-N 2.94Å
761	D	86.1	Confident	84.8	Confident	12 Å²	12	27.7 Å²	27.7	6%	0.064	14%	0.136	C	C	.	.	H	α-helix	trans	-53.7	-34.7	-177	-74.5	21.9	0	0	0	113.1	D758 A763 E765 I1021 R1024	D758-D761 VanDerWaalsContact CA-OD1 3.32Å; D758-D761 WeakPolarHBondContact CA-OD1 3.42Å; D758-D761 PolarHBondContact O-N 3.16Å; D761-A763 VanDerWaalsContact C-N 3.35Å; D761-E765 VanDerWaalsContact O-CB 3.29Å; D761-E765 WeakPolarHBondContact O-CB 3.48Å; D761-E765 PolarHBondContact O-N 3.17Å; D761-E765 VanDerWaalsContact O-N 3.1Å; D761-I1021 HydrophobicContact CB-CG1 4.14Å; D761-I1021 HydrophobicContact CB-CG2 4.19Å; D761-R1024 IonicContact OD1-NH1 3.34Å; D761-R1024 PolarHBondContact OD1-NH1 3.1Å; D761-R1024 WeakPolarHBondContact OD2-CD 3.45Å; D761-R1024 IonicContact OD2-CZ 3.37Å; D761-R1024 IonicContact OD2-NE 3.98Å; D761-R1024 IonicContact OD2-NH1 3.97Å; D761-R1024 PolarHBondContact OD2-NH1 3.4Å
762	T	84.1	Confident	84.9	Confident	39 Å²	39	25.3 Å²	25.3	24%	0.239	13%	0.127	C	C	.	.	H	α-helix	trans	-76	-20.2	178.4	59.3	0	0	0	0	113.8	F760	F760-T762 PolarHBondContact O-N 3.12Å; F760-T762 VanDerWaalsContact O-N 3.08Å
763	A	86.3	Confident	85.1	Confident	1 Å²	1	28.6 Å²	28.6	1%	0.008	14%	0.142	C	C	.	.	H	α-helix	trans	-90.5	-40	172.9	0	0	0	0	0	111.2	F697 L740 I748 F760 D761 Y766 I767	F697-A763 HydrophobicContact CE1-CB 4.17Å; F697-A763 HydrophobicContact CZ-CB 4.08Å; L740-A763 HydrophobicContact CD2-CB 4.13Å; I748-A763 HydrophobicContact CD1-CB 4.19Å; F760-A763 CarbonylContact O-C 3.58Å; F760-A763 WeakPolarHBondContact O-CA 3.28Å; F760-A763 WeakPolarHBondContact O-CB 3.49Å; F760-A763 PolarHBondContact O-N 3.17Å; D761-A763 VanDerWaalsContact C-N 3.35Å; A763-Y766 PolarHBondContact O-N 3.26Å; A763-I767 WeakPolarHBondContact O-CB 3.27Å; A763-I767 WeakPolarHBondContact O-CD1 3.4Å; A763-I767 VanDerWaalsContact O-CG1 3.26Å; A763-I767 WeakPolarHBondContact O-CG1 3.4Å; A763-I767 PolarHBondContact O-N 3.42Å
764	E	87.9	Confident	85.6	Confident	4 Å²	4	22.9 Å²	22.9	2%	0.019	12%	0.115	C	C	.	.	H	α-helix	trans	-58.6	-49.3	174.6	-168.7	176.9	168.6	0	0	111.3	W698 L701 Q702 H705 F760 Y766 I767 L768 S1017 I1021	W698-E764 HydrophobicContact CE3-CG 4.08Å; W698-E764 WeakPolarHBondContact CH2-OE1 3.37Å; W698-E764 HydrophobicContact CZ3-CG 3.54Å; W698-E764 WeakPolarHBondContact CZ3-OE1 3.26Å; L701-E764 HydrophobicContact CD2-CB 3.71Å; L701-E764 HydrophobicContact CD2-CG 3.83Å; Q702-E764 PolarHBondContact NE2-OE1 3.04Å; H705-E764 IonicContact CE1-OE2 2.95Å; H705-E764 PolarHBondContact CE1-OE2 2.97Å; H705-E764 VanDerWaalsContact CE1-OE2 3.24Å; H705-E764 IonicContact ND1-OE2 3.43Å; F760-E764 PolarHBondContact O-N 2.94Å; E764-Y766 PolarHBondContact O-N 3Å; E764-I767 PolarHBondContact O-N 2.89Å; E764-L768 HydrophobicContact CG-CD1 4.2Å; E764-L768 WeakPolarHBondContact O-CG 3.49Å; E764-L768 PolarHBondContact O-N 3.4Å; E764-S1017 WeakPolarHBondContact OE1-CB 3.1Å; E764-S1017 PolarHBondContact OE1-OG 3.17Å; E764-I1021 HydrophobicContact CB-CD1 3.99Å; E764-I1021 HydrophobicContact CG-CD1 3.98Å
765	E	85.4	Confident	86	Confident	29 Å²	29	22.7 Å²	22.7	14%	0.136	11%	0.112	C	C	.	.	H	α-helix	trans	-56.1	-46.6	175	175.7	-177.6	-118.2	0	0	112.5	L657 D761 I767 L768 L769 K1025	L657-E765 HydrophobicContact CD1-CG 4.37Å; L657-E765 VanDerWaalsContact CD1-OE1 3.25Å; L657-E765 WeakPolarHBondContact CD1-OE1 3.41Å; L657-E765 HydrophobicContact CD2-CG 3.86Å; D761-E765 VanDerWaalsContact O-CB 3.29Å; D761-E765 WeakPolarHBondContact O-CB 3.48Å; D761-E765 PolarHBondContact O-N 3.17Å; D761-E765 VanDerWaalsContact O-N 3.1Å; E765-I767 VanDerWaalsContact C-N 3.31Å; E765-I767 PolarHBondContact O-N 3.49Å; E765-L768 PolarHBondContact O-N 3.15Å; E765-L769 HydrophobicContact CG-CD1 4.31Å; E765-L769 WeakPolarHBondContact O-CG 3.38Å; E765-L769 PolarHBondContact O-N 2.96Å; E765-L769 VanDerWaalsContact O-N 3.15Å; E765-K1025 IonicContact OE1-NZ 3.73Å; E765-K1025 PolarHBondContact OE1-NZ 3.08Å; E765-K1025 IonicContact OE2-NZ 3.22Å; E765-K1025 PolarHBondContact OE2-NZ 3.39Å
766	Y	86.6	Confident	86.1	Confident	64 Å²	64	24.7 Å²	24.7	25%	0.251	12%	0.124	S	C	.	.	H	α-helix	trans	-62.5	-41	179.2	177.4	-115.4	0	0	0	111.5	I738 G739 L740 A763 E764 L770	I738-Y766 HydrophobicContact CG2-CD1 3.98Å; I738-Y766 HydrophobicContact CG2-CE1 3.97Å; G739-Y766 PolarHBondContact O-OH 3.36Å; L740-Y766 HydrophobicContact CB-CD1 4.4Å; L740-Y766 HydrophobicContact CB-CE1 4.45Å; L740-Y766 HydrophobicContact CD1-CD1 3.63Å; L740-Y766 HydrophobicContact CD1-CE1 4.31Å; L740-Y766 HydrophobicContact CD1-CG 3.82Å; A763-Y766 PolarHBondContact O-N 3.26Å; E764-Y766 PolarHBondContact O-N 3Å; Y766-L770 HydrophobicContact CD1-CD1 4.04Å; Y766-L770 HydrophobicContact CE1-CD1 3.51Å; Y766-L770 HydrophobicContact CE1-CG 4.34Å; Y766-L770 HydrophobicContact CE2-CD1 4.31Å; Y766-L770 HydrophobicContact CE2-CG 4.32Å; Y766-L770 WeakPolarHBondContact O-CG 3.33Å; Y766-L770 PolarHBondContact O-N 3.36Å
767	I	87.6	Confident	86.1	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-69.1	-44.4	179.8	-76.5	165.3	0	0	0	111.8	F697 W698 I738 A763 E764 E765 L769 L770 L771	F697-I767 HydrophobicContact CB-CD1 4.15Å; F697-I767 HydrophobicContact CD1-CD1 3.06Å; F697-I767 HydrophobicContact CE1-CD1 3.48Å; F697-I767 VanDerWaalsContact CE1-CD1 3.48Å; F697-I767 HydrophobicContact CG-CD1 3.81Å; W698-I767 HydrophobicContact CB-CG2 4.49Å; I738-I767 HydrophobicContact CD1-CD1 3.8Å; I738-I767 HydrophobicContact CG1-CD1 4.2Å; I738-I767 HydrophobicContact CG2-CD1 3.83Å; I738-I767 HydrophobicContact CG2-CG1 3.54Å; A763-I767 WeakPolarHBondContact O-CB 3.27Å; A763-I767 WeakPolarHBondContact O-CD1 3.4Å; A763-I767 VanDerWaalsContact O-CG1 3.26Å; A763-I767 WeakPolarHBondContact O-CG1 3.4Å; A763-I767 PolarHBondContact O-N 3.42Å; E764-I767 PolarHBondContact O-N 2.89Å; E765-I767 VanDerWaalsContact C-N 3.31Å; E765-I767 PolarHBondContact O-N 3.49Å; I767-L769 VanDerWaalsContact C-N 3.3Å; I767-L769 PolarHBondContact O-N 3.22Å; I767-L770 CarbonylContact O-C 3.58Å; I767-L770 WeakPolarHBondContact O-CB 3.47Å; I767-L770 PolarHBondContact O-N 2.87Å; I767-L770 VanDerWaalsContact O-N 3.1Å; I767-L771 HydrophobicContact CG2-CD1 3.75Å; I767-L771 HydrophobicContact CG2-CG 4.21Å; I767-L771 WeakPolarHBondContact O-CB 3.3Å; I767-L771 VanDerWaalsContact O-CG 3.26Å; I767-L771 WeakPolarHBondContact O-CG 3.17Å; I767-L771 PolarHBondContact O-N 3.45Å
768	L	86.1	Confident	86.4	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-62.5	-39.1	177.6	-73.7	175.7	0	0	0	111.8	M662 L666 L669 W698 E764 E765 L771 L772 C1018	M662-L768 HydrophobicContact CE-CB 4.23Å; M662-L768 HydrophobicContact SD-CB 3.88Å; L666-L768 HydrophobicContact CD2-CD1 3.88Å; L666-L768 HydrophobicContact CD2-CD2 3.67Å; L666-L768 HydrophobicContact CD2-CG 4.46Å; L669-L768 HydrophobicContact CD1-CD2 4.23Å; W698-L768 HydrophobicContact CE3-CD2 3.88Å; W698-L768 HydrophobicContact CE3-CG 4.21Å; W698-L768 HydrophobicContact CH2-CD1 4.17Å; W698-L768 HydrophobicContact CH2-CD2 3.95Å; W698-L768 HydrophobicContact CH2-CG 4.44Å; W698-L768 HydrophobicContact CZ3-CD1 3.73Å; W698-L768 HydrophobicContact CZ3-CD2 3.56Å; W698-L768 HydrophobicContact CZ3-CG 3.74Å; E764-L768 HydrophobicContact CG-CD1 4.2Å; E764-L768 WeakPolarHBondContact O-CG 3.49Å; E764-L768 PolarHBondContact O-N 3.4Å; E765-L768 PolarHBondContact O-N 3.15Å; L768-L771 PolarHBondContact O-N 3.45Å; L768-L772 PolarHBondContact O-N 3.4Å; L768-C1018 WeakPolarHBondContact CD1-SG 3.41Å
769	L	85.5	Confident	86.5	Confident	76 Å²	76	28.4 Å²	28.4	40%	0.398	14%	0.142	S	C	.	.	H	α-helix	trans	-64.1	-39.8	171.5	-68.2	170.3	0	0	0	112.5	A656 L657 M662 E765 I767	A656-L769 HydrophobicContact CB-CD2 4.27Å; L657-L769 HydrophobicContact CD2-CD1 4.16Å; L657-L769 HydrophobicContact CD2-CD2 3.98Å; L657-L769 HydrophobicContact CD2-CG 4.05Å; M662-L769 HydrophobicContact CE-CD2 4.07Å; E765-L769 HydrophobicContact CG-CD1 4.31Å; E765-L769 WeakPolarHBondContact O-CG 3.38Å; E765-L769 PolarHBondContact O-N 2.96Å; E765-L769 VanDerWaalsContact O-N 3.15Å; I767-L769 VanDerWaalsContact C-N 3.3Å; I767-L769 PolarHBondContact O-N 3.22Å
770	L	86.4	Confident	86.6	Confident	40 Å²	40	33.9 Å²	33.9	21%	0.209	17%	0.165	C	C	.	.	H	α-helix	trans	-67.5	-30.8	173.7	-76.2	-179.3	0	0	0	113.6	Y766 I767 P774	Y766-L770 HydrophobicContact CD1-CD1 4.04Å; Y766-L770 HydrophobicContact CE1-CD1 3.51Å; Y766-L770 HydrophobicContact CE1-CG 4.34Å; Y766-L770 HydrophobicContact CE2-CD1 4.31Å; Y766-L770 HydrophobicContact CE2-CG 4.32Å; Y766-L770 WeakPolarHBondContact O-CG 3.33Å; Y766-L770 PolarHBondContact O-N 3.36Å; I767-L770 CarbonylContact O-C 3.58Å; I767-L770 WeakPolarHBondContact O-CB 3.47Å; I767-L770 PolarHBondContact O-N 2.87Å; I767-L770 VanDerWaalsContact O-N 3.1Å; L770-P774 WeakPolarHBondContact O-CD 3.45Å
771	L	87.4	Confident	86.5	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-85.4	-21	-178.3	-68.9	-178.8	0	0	0	113.4	L665 F679 V695 I767 L768 E773 P774 W775	L665-L771 HydrophobicContact CD2-CB 4.07Å; F679-L771 HydrophobicContact CE1-CB 4.49Å; F679-L771 HydrophobicContact CE1-CD2 4.36Å; F679-L771 HydrophobicContact CZ-CB 4.3Å; F679-L771 HydrophobicContact CZ-CD2 4.26Å; V695-L771 HydrophobicContact CG2-CD1 3.94Å; V695-L771 HydrophobicContact CG2-CD2 3.38Å; V695-L771 HydrophobicContact CG2-CG 4.31Å; I767-L771 HydrophobicContact CG2-CD1 3.75Å; I767-L771 HydrophobicContact CG2-CG 4.21Å; I767-L771 WeakPolarHBondContact O-CB 3.3Å; I767-L771 VanDerWaalsContact O-CG 3.26Å; I767-L771 WeakPolarHBondContact O-CG 3.17Å; I767-L771 PolarHBondContact O-N 3.45Å; L768-L771 PolarHBondContact O-N 3.45Å; L771-E773 PolarHBondContact O-N 3.42Å; L771-P774 HydrophobicContact CD2-CG 4.4Å; L771-P774 VanDerWaalsContact O-CD 3.25Å; L771-P774 WeakPolarHBondContact O-CD 3.46Å; L771-P774 WeakPolarHBondContact O-CG 3.3Å; L771-W775 WeakPolarHBondContact O-CB 3.27Å; L771-W775 PolarHBondContact O-N 2.88Å
772	L	86.8	Confident	86.5	Confident	37 Å²	37	37 Å²	37	19%	0.194	19%	0.187	C	C	.	.	H	α-helix	trans	-60.3	-34	174	-166.2	70.7	0	0	0	112.4	D661 M662 L665 L768 T776	D661-L772 HydrophobicContact CB-CD1 4Å; M662-L772 HydrophobicContact CB-CD1 4.48Å; M662-L772 HydrophobicContact CE-CB 4.37Å; M662-L772 HydrophobicContact CE-CD1 4.31Å; M662-L772 HydrophobicContact CE-CD2 4.13Å; M662-L772 HydrophobicContact SD-CD1 4.42Å; L665-L772 HydrophobicContact CD2-CB 4.38Å; L665-L772 HydrophobicContact CD2-CD1 4.26Å; L768-L772 PolarHBondContact O-N 3.4Å; L772-T776 VanDerWaalsContact O-CB 3.28Å; L772-T776 WeakPolarHBondContact O-CB 3.32Å; L772-T776 PolarHBondContact O-N 3.31Å; L772-T776 PolarHBondContact O-OG1 3.39Å
773	E	86.6	Confident	86.6	Confident	92 Å²	92	38.3 Å²	38.3	43%	0.43	19%	0.19	S	C	.	.	H	α-helix	trans	-66.9	-56.9	178.2	-168.3	-154.9	164.7	0	0	113.5	L771 W775 T776 K777	L771-E773 PolarHBondContact O-N 3.42Å; E773-W775 VanDerWaalsContact C-N 3.28Å; E773-W775 PolarHBondContact O-N 2.97Å; E773-T776 PolarHBondContact O-N 3.27Å; E773-K777 HydrophobicContact CG-CD 4.44Å; E773-K777 WeakPolarHBondContact O-CG 3.5Å; E773-K777 PolarHBondContact O-N 3.42Å; E773-K777 WeakPolarHBondContact OE1-CE 3.41Å; E773-K777 IonicContact OE1-NZ 3.27Å; E773-K777 PolarHBondContact OE1-NZ 3.44Å
774	P	88	Confident	86.6	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-64.2	-32.9	175.4	25.3	-33.7	0	0	0	112.1	F679 F682 W691 L770 L771 K777 M778	F679-P774 HydrophobicContact CE2-CB 4.23Å; F679-P774 HydrophobicContact CE2-CG 4.33Å; F679-P774 HydrophobicContact CZ-CG 4.17Å; F682-P774 HydrophobicContact CD1-CB 4.37Å; F682-P774 HydrophobicContact CE1-CB 4.13Å; F682-P774 VanDerWaalsContact CE1-O 3.23Å; F682-P774 WeakPolarHBondContact CE1-O 3.25Å; W691-P774 HydrophobicContact CD2-CB 3.76Å; W691-P774 HydrophobicContact CD2-CG 3.77Å; W691-P774 HydrophobicContact CE3-CB 3.76Å; W691-P774 HydrophobicContact CE3-CG 4.29Å; W691-P774 HydrophobicContact CG-CB 4.31Å; W691-P774 HydrophobicContact CG-CG 3.87Å; W691-P774 HydrophobicContact CH2-CB 4.32Å; W691-P774 HydrophobicContact CZ2-CB 4.29Å; W691-P774 HydrophobicContact CZ2-CG 4.49Å; W691-P774 HydrophobicContact CZ3-CB 4.05Å; L770-P774 WeakPolarHBondContact O-CD 3.45Å; L771-P774 HydrophobicContact CD2-CG 4.4Å; L771-P774 VanDerWaalsContact O-CD 3.25Å; L771-P774 WeakPolarHBondContact O-CD 3.46Å; L771-P774 WeakPolarHBondContact O-CG 3.3Å; P774-K777 PolarHBondContact O-N 2.68Å; P774-M778 WeakPolarHBondContact O-CB 3.49Å; P774-M778 PolarHBondContact O-N 3.01Å
775	W	87.5	Confident	86.3	Confident	12 Å²	12	43.7 Å²	43.7	5%	0.045	22%	0.22	C	C	.	.	H	α-helix	trans	-59.2	-52.5	173.4	171.1	-111.8	0	0	0	111.4	P39 T40 D661 N664 L665 S668 F679 L771 E773 K777 M778 V779	P39-W775 WeakPolarHBondContact O-CH2 3.17Å; T40-W775 HydrophobicContact CG2-CZ3 4.5Å; D661-W775 PolarHBondContact O-NE1 3.01Å; N664-W775 HydrophobicContact CB-CZ2 4.37Å; L665-W775 HydrophobicContact CB-CD2 4.37Å; L665-W775 HydrophobicContact CB-CG 4.14Å; L665-W775 HydrophobicContact CD1-CB 3.88Å; L665-W775 HydrophobicContact CD1-CD2 3.95Å; L665-W775 HydrophobicContact CD1-CE3 4.18Å; L665-W775 HydrophobicContact CD1-CG 3.8Å; L665-W775 HydrophobicContact CG-CG 4.41Å; S668-W775 VanDerWaalsContact OG-CH2 3.25Å; S668-W775 WeakPolarHBondContact OG-CH2 3.44Å; S668-W775 WeakPolarHBondContact OG-CZ3 3.44Å; F679-W775 HydrophobicContact CD2-CE3 4.08Å; F679-W775 HydrophobicContact CE2-CB 3.91Å; F679-W775 HydrophobicContact CE2-CE3 4.38Å; F679-W775 HydrophobicContact CG-CE3 4.39Å; F679-W775 HydrophobicContact CZ-CB 4.1Å; L771-W775 WeakPolarHBondContact O-CB 3.27Å; L771-W775 PolarHBondContact O-N 2.88Å; E773-W775 VanDerWaalsContact C-N 3.28Å; E773-W775 PolarHBondContact O-N 2.97Å; W775-K777 VanDerWaalsContact C-N 3.25Å; W775-K777 PolarHBondContact O-N 3.36Å; W775-M778 HydrophobicContact CE3-CE 3.75Å; W775-M778 HydrophobicContact CH2-CE 4.23Å; W775-M778 HydrophobicContact CZ3-CE 3.37Å; W775-M778 WeakPolarHBondContact O-CB 3.48Å; W775-M778 PolarHBondContact O-N 3.48Å; W775-V779 HydrophobicContact CD2-CG2 3.94Å; W775-V779 HydrophobicContact CE3-CG2 4.22Å; W775-V779 HydrophobicContact CH2-CG2 3.84Å; W775-V779 HydrophobicContact CZ2-CG2 3.58Å; W775-V779 HydrophobicContact CZ3-CG2 4.18Å; W775-V779 WeakPolarHBondContact O-CG2 3.41Å; W775-V779 PolarHBondContact O-N 2.93Å
776	T	86.8	Confident	86.2	Confident	42 Å²	42	42.5 Å²	42.5	26%	0.258	22%	0.215	S	C	.	.	H	α-helix	trans	-58.9	-37.3	176.9	-58.7	0	0	0	0	111.9	L772 E773 K780	L772-T776 VanDerWaalsContact O-CB 3.28Å; L772-T776 WeakPolarHBondContact O-CB 3.32Å; L772-T776 PolarHBondContact O-N 3.31Å; L772-T776 PolarHBondContact O-OG1 3.39Å; E773-T776 PolarHBondContact O-N 3.27Å; T776-K780 HydrophobicContact CG2-CD 4Å; T776-K780 WeakPolarHBondContact O-CB 3.43Å; T776-K780 WeakPolarHBondContact O-CD 3.21Å; T776-K780 VanDerWaalsContact O-CG 3.24Å; T776-K780 WeakPolarHBondContact O-CG 3.47Å; T776-K780 PolarHBondContact O-N 3.28Å; T776-K780 VanDerWaalsContact O-N 3.12Å
777	K	86.5	Confident	86.1	Confident	91 Å²	91	46 Å²	46	40%	0.396	23%	0.231	S	C	.	.	H	α-helix	trans	-68.2	-39.8	175	-73.4	170.9	171.4	177.2	0	112.4	F682 W691 E773 P774 W775 S781	F682-K777 HydrophobicContact CE1-CB 4.24Å; F682-K777 HydrophobicContact CZ-CB 4.06Å; W691-K777 HydrophobicContact CH2-CD 4.27Å; E773-K777 HydrophobicContact CG-CD 4.44Å; E773-K777 WeakPolarHBondContact O-CG 3.5Å; E773-K777 PolarHBondContact O-N 3.42Å; E773-K777 WeakPolarHBondContact OE1-CE 3.41Å; E773-K777 IonicContact OE1-NZ 3.27Å; E773-K777 PolarHBondContact OE1-NZ 3.44Å; P774-K777 PolarHBondContact O-N 2.68Å; W775-K777 VanDerWaalsContact C-N 3.25Å; W775-K777 PolarHBondContact O-N 3.36Å; K777-S781 WeakPolarHBondContact O-CB 3.36Å; K777-S781 PolarHBondContact O-N 3.36Å; K777-S781 PolarHBondContact O-OG 3.48Å
778	M	88.1	Confident	85.8	Confident	5 Å²	5	53.6 Å²	53.6	3%	0.025	26%	0.264	C	S	.	.	H	α-helix	trans	-65.2	-52.4	176.2	-168.8	-165.1	77.2	0	0	111.1	T40 F678 F679 F682 P774 W775 K780 S781 D782	T40-M778 HydrophobicContact CG2-CE 4.47Å; F678-M778 HydrophobicContact CD1-CE 3.73Å; F678-M778 HydrophobicContact CD1-SD 3.48Å; F678-M778 WeakPolarHBondContact CD1-SD 3.39Å; F678-M778 HydrophobicContact CE1-CE 3.84Å; F678-M778 HydrophobicContact CE1-CG 4.14Å; F678-M778 HydrophobicContact CE1-SD 3.66Å; F679-M778 HydrophobicContact CB-SD 4.08Å; F679-M778 HydrophobicContact CD2-SD 3.87Å; F679-M778 HydrophobicContact CG-SD 4.48Å; F682-M778 HydrophobicContact CB-CG 4.06Å; F682-M778 HydrophobicContact CB-SD 4.02Å; F682-M778 HydrophobicContact CD1-CB 3.8Å; F682-M778 HydrophobicContact CD1-CG 4.2Å; F682-M778 HydrophobicContact CD2-CB 4.08Å; F682-M778 HydrophobicContact CD2-CG 3.84Å; F682-M778 HydrophobicContact CE1-CB 3.92Å; F682-M778 HydrophobicContact CE2-CB 4.19Å; F682-M778 HydrophobicContact CE2-CG 4.34Å; F682-M778 HydrophobicContact CG-CB 3.88Å; F682-M778 HydrophobicContact CG-CG 3.76Å; F682-M778 HydrophobicContact CG-SD 4.34Å; F682-M778 HydrophobicContact CZ-CB 4.11Å; P774-M778 WeakPolarHBondContact O-CB 3.49Å; P774-M778 PolarHBondContact O-N 3.01Å; W775-M778 HydrophobicContact CE3-CE 3.75Å; W775-M778 HydrophobicContact CH2-CE 4.23Å; W775-M778 HydrophobicContact CZ3-CE 3.37Å; W775-M778 WeakPolarHBondContact O-CB 3.48Å; W775-M778 PolarHBondContact O-N 3.48Å; M778-K780 VanDerWaalsContact C-N 3.33Å; M778-K780 PolarHBondContact O-N 3.32Å; M778-S781 CarbonylContact O-C 3.49Å; M778-S781 WeakPolarHBondContact O-CA 3.33Å; M778-S781 WeakPolarHBondContact O-CB 3.3Å; M778-S781 PolarHBondContact O-N 2.87Å; M778-D782 PolarHBondContact O-N 3.36Å
779	V	86.3	Confident	85.6	Confident	41 Å²	41	54.3 Å²	54.3	25%	0.248	27%	0.268	C	S	.	.	H	α-helix	trans	-59.5	-42.4	-179.4	174.7	0	0	0	0	111.4	W775 S781 D782 Q783	W775-V779 HydrophobicContact CD2-CG2 3.94Å; W775-V779 HydrophobicContact CE3-CG2 4.22Å; W775-V779 HydrophobicContact CH2-CG2 3.84Å; W775-V779 HydrophobicContact CZ2-CG2 3.58Å; W775-V779 HydrophobicContact CZ3-CG2 4.18Å; W775-V779 WeakPolarHBondContact O-CG2 3.41Å; W775-V779 PolarHBondContact O-N 2.93Å; V779-S781 VanDerWaalsContact C-N 3.35Å; V779-S781 PolarHBondContact O-N 3.09Å; V779-D782 PolarHBondContact O-N 3.47Å; V779-Q783 WeakPolarHBondContact O-CB 3.26Å; V779-Q783 PolarHBondContact O-N 3.1Å
780	K	86	Confident	85.3	Confident	127 Å²	127	56.8 Å²	56.8	55%	0.552	28%	0.278	S	S	*	.	H	α-helix	trans	-63.6	-39	173.6	-73.3	171.7	-177.3	173.4	0	112.2	T776 M778 I784	T776-K780 HydrophobicContact CG2-CD 4Å; T776-K780 WeakPolarHBondContact O-CB 3.43Å; T776-K780 WeakPolarHBondContact O-CD 3.21Å; T776-K780 VanDerWaalsContact O-CG 3.24Å; T776-K780 WeakPolarHBondContact O-CG 3.47Å; T776-K780 PolarHBondContact O-N 3.28Å; T776-K780 VanDerWaalsContact O-N 3.12Å; M778-K780 VanDerWaalsContact C-N 3.33Å; M778-K780 PolarHBondContact O-N 3.32Å; K780-I784 WeakPolarHBondContact O-CB 3.41Å; K780-I784 WeakPolarHBondContact O-CD1 3.43Å; K780-I784 WeakPolarHBondContact O-CG1 3.41Å; K780-I784 PolarHBondContact O-N 3.35Å
781	S	84.9	Confident	85.1	Confident	65 Å²	65	58.3 Å²	58.3	46%	0.455	29%	0.286	S	S	.	.	H	α-helix	trans	-68	-36.3	176.8	-58.3	0	0	0	0	112.5	K777 M778 V779 A785	K777-S781 WeakPolarHBondContact O-CB 3.36Å; K777-S781 PolarHBondContact O-N 3.36Å; K777-S781 PolarHBondContact O-OG 3.48Å; M778-S781 CarbonylContact O-C 3.49Å; M778-S781 WeakPolarHBondContact O-CA 3.33Å; M778-S781 WeakPolarHBondContact O-CB 3.3Å; M778-S781 PolarHBondContact O-N 2.87Å; V779-S781 VanDerWaalsContact C-N 3.35Å; V779-S781 PolarHBondContact O-N 3.09Å; S781-A785 WeakPolarHBondContact O-CB 3.41Å; S781-A785 PolarHBondContact O-N 3.02Å
782	D	85.8	Confident	84.8	Confident	11 Å²	11	61.3 Å²	61.3	6%	0.059	30%	0.304	C	S	.	.	H	α-helix	trans	-66.9	-48.2	175	-161.6	52.5	0	0	0	110.6	S42 R128 M778 V779 I784 A785 Y786	S42-D782 PolarHBondContact N-OD2 2.75Å; S42-D782 PolarHBondContact OG-OD2 3.31Å; R128-D782 IonicContact CZ-OD1 2.79Å; R128-D782 IonicContact CZ-OD2 3.1Å; R128-D782 IonicContact NH1-OD1 3.37Å; R128-D782 PolarHBondContact NH1-OD1 3.3Å; R128-D782 IonicContact NH1-OD2 2.74Å; R128-D782 IonicContact NH2-OD1 3.62Å; R128-D782 PolarHBondContact NH2-OD1 3.41Å; R128-D782 IonicContact NH2-OD2 3.1Å; R128-D782 PolarHBondContact NH2-OD2 3.3Å; M778-D782 PolarHBondContact O-N 3.36Å; V779-D782 PolarHBondContact O-N 3.47Å; D782-I784 VanDerWaalsContact C-N 3.34Å; D782-I784 PolarHBondContact O-N 2.94Å; D782-A785 CarbonylContact O-C 3.55Å; D782-A785 WeakPolarHBondContact O-CA 3.5Å; D782-A785 WeakPolarHBondContact O-CB 3.49Å; D782-A785 PolarHBondContact O-N 3.09Å; D782-Y786 WeakPolarHBondContact O-CB 3.37Å; D782-Y786 PolarHBondContact O-N 3.33Å
783	Q	85.6	Confident	84.5	Confident	68 Å²	68	65.1 Å²	65.1	32%	0.318	32%	0.321	S	S	.	.	H	α-helix	trans	-63.5	-37.2	177.5	-158.9	-168.7	59.3	0	0	112.4	S42 V779 A785 Y786 K787	S42-Q783 WeakPolarHBondContact OG-CA 3.45Å; S42-Q783 PolarHBondContact OG-N 3.04Å; V779-Q783 WeakPolarHBondContact O-CB 3.26Å; V779-Q783 PolarHBondContact O-N 3.1Å; Q783-A785 VanDerWaalsContact C-N 3.31Å; Q783-Y786 PolarHBondContact O-N 3.38Å; Q783-K787 HydrophobicContact CG-CD 4.1Å; Q783-K787 HydrophobicContact CG-CG 4.48Å; Q783-K787 WeakPolarHBondContact O-CB 3.26Å; Q783-K787 VanDerWaalsContact O-CG 3.28Å; Q783-K787 WeakPolarHBondContact O-CG 3.37Å; Q783-K787 PolarHBondContact O-N 3.36Å
784	I	85.8	Confident	84.1	Confident	101 Å²	101	63.6 Å²	63.6	52%	0.518	31%	0.314	S	S	.	.	H	α-helix	trans	-69.3	-28.7	173	-70.3	164.7	0	0	0	111.8	K780 D782 K788	K780-I784 WeakPolarHBondContact O-CB 3.41Å; K780-I784 WeakPolarHBondContact O-CD1 3.43Å; K780-I784 WeakPolarHBondContact O-CG1 3.41Å; K780-I784 PolarHBondContact O-N 3.35Å; D782-I784 VanDerWaalsContact C-N 3.34Å; D782-I784 PolarHBondContact O-N 2.94Å; I784-K788 WeakPolarHBondContact O-CE 3.28Å; I784-K788 WeakPolarHBondContact O-CG 3.18Å
785	A	82.9	Confident	83.5	Confident	16 Å²	16	68.2 Å²	68.2	13%	0.132	34%	0.342	C	S	.	.	H	α-helix	trans	-77.2	-31.5	173.8	0	0	0	0	0	112.3	W123 S781 D782 Q783	W123-A785 PolarHBondContact NE1-O 3Å; S781-A785 WeakPolarHBondContact O-CB 3.41Å; S781-A785 PolarHBondContact O-N 3.02Å; D782-A785 CarbonylContact O-C 3.55Å; D782-A785 WeakPolarHBondContact O-CA 3.5Å; D782-A785 WeakPolarHBondContact O-CB 3.49Å; D782-A785 PolarHBondContact O-N 3.09Å; Q783-A785 VanDerWaalsContact C-N 3.31Å
786	Y	83.4	Confident	83	Confident	5 Å²	5	68.2 Å²	68.2	2%	0.02	34%	0.342	C	S	.	.	H	α-helix	trans	-76.4	-44.7	177.5	171.6	-93.7	0	0	0	112.6	E43 I45 V56 L115 W123 D782 Q783 K788 V789 L791	E43-Y786 HydrophobicContact CB-CE1 4.49Å; E43-Y786 HydrophobicContact CG-CE1 4.24Å; E43-Y786 WeakPolarHBondContact OE1-CD1 3.34Å; E43-Y786 WeakPolarHBondContact OE1-CE1 3.38Å; E43-Y786 WeakPolarHBondContact OE2-CE1 3.29Å; E43-Y786 PolarHBondContact OE2-OH 3.37Å; I45-Y786 HydrophobicContact CD1-CD2 4.2Å; I45-Y786 HydrophobicContact CD1-CE2 3.91Å; I45-Y786 HydrophobicContact CG1-CE2 4.44Å; V56-Y786 WeakPolarHBondContact CG2-OH 3.28Å; L115-Y786 HydrophobicContact CD1-CE2 4.35Å; L115-Y786 HydrophobicContact CD2-CD2 4.37Å; L115-Y786 HydrophobicContact CD2-CE2 3.71Å; L115-Y786 HydrophobicContact CG-CE2 4.48Å; W123-Y786 AromaticContact CH2-CD2 3.95Å; W123-Y786 HydrophobicContact CH2-CD2 3.95Å; W123-Y786 HydrophobicContact CZ2-CD2 4.07Å; W123-Y786 HydrophobicContact CZ2-CG 4.48Å; W123-Y786 HydrophobicContact CZ3-CD2 4.48Å; D782-Y786 WeakPolarHBondContact O-CB 3.37Å; D782-Y786 PolarHBondContact O-N 3.33Å; Q783-Y786 PolarHBondContact O-N 3.38Å; Y786-K788 PolarHBondContact O-N 3.24Å; Y786-V789 PolarHBondContact O-N 3.37Å; Y786-L791 HydrophobicContact CE1-CD1 4.37Å
787	K	83.4	Confident	82.4	Confident	137 Å²	137	71.8 Å²	71.8	60%	0.596	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	11.1	175.8	-74.2	172.4	172.8	171.6	0	115.5	Q783	Q783-K787 HydrophobicContact CG-CD 4.1Å; Q783-K787 HydrophobicContact CG-CG 4.48Å; Q783-K787 WeakPolarHBondContact O-CB 3.26Å; Q783-K787 VanDerWaalsContact O-CG 3.28Å; Q783-K787 WeakPolarHBondContact O-CG 3.37Å; Q783-K787 PolarHBondContact O-N 3.36Å
788	K	81.8	Confident	81.7	Confident	160 Å²	160	68.6 Å²	68.6	70%	0.696	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109	-3.7	174.2	-68.7	177.5	-179.2	-172.7	0	113.1	I784 Y786	I784-K788 WeakPolarHBondContact O-CE 3.28Å; I784-K788 WeakPolarHBondContact O-CG 3.18Å; Y786-K788 PolarHBondContact O-N 3.24Å
789	V	82.2	Confident	80.7	Confident	14 Å²	14	73 Å²	73	9%	0.085	37%	0.366	C	S	.	.	S	Bend	trans	-96.9	136.1	173.1	-173	0	0	0	0	107.8	L115 E119 W123 Y786	L115-V789 HydrophobicContact CB-CG1 4.27Å; L115-V789 HydrophobicContact CD2-CB 3.95Å; L115-V789 HydrophobicContact CD2-CG1 3.65Å; E119-V789 HydrophobicContact CB-CG1 3.9Å; W123-V789 HydrophobicContact CB-CG2 3.72Å; W123-V789 VanDerWaalsContact CD1-CG2 3.47Å; W123-V789 HydrophobicContact CD2-CG2 4.09Å; W123-V789 HydrophobicContact CG-CG2 3.51Å; Y786-V789 PolarHBondContact O-N 3.37Å
790	E	80.2	Confident	80.2	Confident	129 Å²	129	71.3 Å²	71.3	60%	0.603	36%	0.357	S	S	*	.			trans	-67.4	135.9	175.7	-172.9	169.1	-141.2	0	0	111.5	S116 E119	S116-E790 PolarHBondContact N-O 2.74Å; E119-E790 WeakPolarHBondContact OE2-CB 3.26Å; E119-E790 PolarHBondContact OE2-N 2.83Å
791	L	80.9	Confident	79.7	Confident	71 Å²	71	68.4 Å²	68.4	37%	0.372	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	121.7	176.4	-75.4	170.4	0	0	0	109.8	V56 M113 C114 L115 Y786	V56-L791 HydrophobicContact CG2-CD2 4Å; M113-L791 HydrophobicContact CB-CD2 4.47Å; M113-L791 HydrophobicContact CE-CB 3.97Å; C114-L791 CarbonylContact O-C 3.55Å; C114-L791 WeakPolarHBondContact O-CA 3.48Å; L115-L791 HydrophobicContact CD2-CD2 3.62Å; L115-L791 HydrophobicContact CD2-CG 4.46Å; L115-L791 HydrophobicContact CG-CD2 4.24Å; Y786-L791 HydrophobicContact CE1-CD1 4.37Å
792	V	81.4	Confident	79.3	Confident	63 Å²	63	67.7 Å²	67.7	38%	0.382	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	128.9	177.9	-177.1	0	0	0	0	108.6	C114 E794	C114-V792 PolarHBondContact N-O 3.14Å; C114-V792 PolarHBondContact O-N 2.57Å; V792-E794 HydrophobicContact CG1-CG 4.41Å
793	E	80.2	Confident	78.9	Confident	118 Å²	118	68.6 Å²	68.6	55%	0.551	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.4	117.6	173.1	-172.5	174	-165	0	0	110.1	N111 M113	N111-E793 HydrophobicContact CB-CG 4.1Å; N111-E793 VanDerWaalsContact CB-OE1 3.3Å; N111-E793 WeakPolarHBondContact CB-OE1 3.39Å; N111-E793 PolarHBondContact ND2-OE1 3.28Å; M113-E793 HydrophobicContact CE-CB 4.07Å; M113-E793 HydrophobicContact SD-CB 3.89Å; M113-E793 HydrophobicContact SD-CG 3.94Å
794	E	77.7	Confident	78.6	Confident	60 Å²	60	70.3 Å²	70.3	28%	0.28	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	125.2	177.3	-69.8	-172.1	176.9	0	0	111.2	N111 I112 C114 V792 R796	N111-E794 WeakPolarHBondContact CA-O 3.45Å; I112-E794 PolarHBondContact N-O 2.88Å; I112-E794 PolarHBondContact O-N 3Å; C114-E794 HydrophobicContact CB-CG 4.44Å; V792-E794 HydrophobicContact CG1-CG 4.41Å; E794-R796 HydrophobicContact CB-CG 4.3Å; E794-R796 IonicContact OE2-CZ 3.32Å; E794-R796 IonicContact OE2-NE 3.61Å; E794-R796 PolarHBondContact OE2-NE 3.06Å; E794-R796 IonicContact OE2-NH2 2.64Å; E794-R796 PolarHBondContact OE2-NH2 3.1Å
795	T	76.8	Confident	78.2	Confident	96 Å²	96	71 Å²	71	59%	0.589	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.1	114.7	172.6	66.5	0	0	0	0	109.9
796	R	76.9	Confident	77.8	Confident	13 Å²	13	70.4 Å²	70.4	5%	0.049	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	151.7	-175.8	-59.2	-160.2	-168.3	160.2	4.5	112.7	E55 N109 Y110 I112 C114 E794	E55-R796 IonicContact OE1-CZ 2.8Å; E55-R796 IonicContact OE1-NH1 3.13Å; E55-R796 PolarHBondContact OE1-NH1 3.02Å; E55-R796 IonicContact OE1-NH2 2.62Å; N109-R796 CarbonylContact C-O 3.57Å; N109-R796 VanDerWaalsContact CA-O 3.26Å; N109-R796 WeakPolarHBondContact CA-O 3.41Å; Y110-R796 WeakPolarHBondContact CD1-O 3.34Å; Y110-R796 HydrophobicContact CE1-CB 4.35Å; Y110-R796 WeakPolarHBondContact CE1-O 3.46Å; Y110-R796 PolarHBondContact N-O 3.12Å; Y110-R796 PolarHBondContact O-N 2.93Å; I112-R796 HydrophobicContact CD1-CB 4.43Å; I112-R796 HydrophobicContact CD1-CG 4.27Å; C114-R796 PolarHBondContact SG-NH2 3.49Å; C114-R796 VanDerWaalsContact SG-NH2 3.4Å; E794-R796 HydrophobicContact CB-CG 4.3Å; E794-R796 IonicContact OE2-CZ 3.32Å; E794-R796 IonicContact OE2-NE 3.61Å; E794-R796 PolarHBondContact OE2-NE 3.06Å; E794-R796 IonicContact OE2-NH2 2.64Å; E794-R796 PolarHBondContact OE2-NH2 3.1Å
797	Q	73.6	Confident	77.3	Confident	117 Å²	117	73.8 Å²	73.8	55%	0.547	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	130.6	-177.4	-161.4	178	14.9	0	0	112	V108 N109 D799	V108-Q797 HydrophobicContact CB-CG 3.81Å; V108-Q797 HydrophobicContact CG1-CG 4.09Å; V108-Q797 WeakPolarHBondContact O-CA 3.46Å; N109-Q797 WeakPolarHBondContact OD1-CG 3.47Å; Q797-D799 PolarHBondContact O-N 2.96Å
798	L	72.4	Confident	77	Confident	24 Å²	24	69.5 Å²	69.5	13%	0.126	34%	0.344	C	S	.	.			trans	-84.1	93.6	-179.8	-170.5	78.3	0	0	0	112.9	P61 L64 E65 L68 V108 Y110 S800	P61-L798 HydrophobicContact CB-CD1 3.75Å; L64-L798 HydrophobicContact CB-CD2 4.2Å; L64-L798 HydrophobicContact CD2-CB 4.18Å; L64-L798 HydrophobicContact CD2-CD2 3.64Å; L64-L798 HydrophobicContact CG-CD2 4.48Å; E65-L798 HydrophobicContact CB-CD2 4.19Å; L68-L798 HydrophobicContact CD1-CD2 4Å; V108-L798 HydrophobicContact CG1-CB 3.94Å; V108-L798 WeakPolarHBondContact CG1-O 3.48Å; V108-L798 PolarHBondContact O-N 3.4Å; Y110-L798 HydrophobicContact CD1-CB 4Å; Y110-L798 HydrophobicContact CE1-CB 3.76Å; Y110-L798 HydrophobicContact CE1-CD1 3.98Å; L798-S800 PolarHBondContact O-N 2.63Å
799	D	66.2	Low	76.5	Confident	97 Å²	97	64.5 Å²	64.5	52%	0.519	33%	0.325	S	S	.	.			trans	-76.3	70.4	172.4	-169.7	7.1	0	0	0	112.9	Q797 R804	Q797-D799 PolarHBondContact O-N 2.96Å; D799-R804 WeakPolarHBondContact OD1-CG 3.35Å; D799-R804 IonicContact OD1-CZ 2.77Å; D799-R804 IonicContact OD1-NE 2.68Å; D799-R804 PolarHBondContact OD1-NE 3.37Å; D799-R804 IonicContact OD1-NH2 2.99Å; D799-R804 IonicContact OD2-CZ 2.69Å; D799-R804 IonicContact OD2-NE 2.65Å; D799-R804 PolarHBondContact OD2-NE 3.46Å; D799-R804 IonicContact OD2-NH2 3.79Å; D799-R804 PolarHBondContact OD2-NH2 3.07Å
800	S	77.3	Confident	75.8	Confident	6 Å²	6	67.8 Å²	67.8	4%	0.042	34%	0.339	C	S	.	.			trans	-83.4	146.9	175.3	174.1	0	0	0	0	112.4	E65 L798 Y802 F803 R804	E65-S800 PolarHBondContact OE1-OG 3.45Å; L798-S800 PolarHBondContact O-N 2.63Å; S800-Y802 PolarHBondContact O-N 3.27Å; S800-Y802 VanDerWaalsContact O-N 3.09Å; S800-Y802 WeakPolarHBondContact OG-CD2 3.35Å; S800-Y802 PolarHBondContact OG-N 2.81Å; S800-F803 WeakPolarHBondContact O-CA 3.48Å; S800-F803 WeakPolarHBondContact O-CB 3.47Å; S800-F803 PolarHBondContact O-N 3.35Å; S800-R804 PolarHBondContact O-N 2.93Å
801	T	74.3	Confident	75.4	Confident	66 Å²	66	68 Å²	68	41%	0.405	34%	0.338	S	S	.	.	H	α-helix	trans	-55.6	-25.3	170.9	66.6	0	0	0	0	113.8	K805	T801-K805 VanDerWaalsContact O-CG 3.31Å; T801-K805 WeakPolarHBondContact O-CG 3.42Å; T801-K805 PolarHBondContact O-N 3.04Å
802	Y	75.8	Confident	74.6	Confident	50 Å²	50	69.8 Å²	69.8	20%	0.196	34%	0.344	C	S	.	.	H	α-helix	trans	-73.7	-38.7	172.6	-58	-75.6	0	0	0	111.6	E65 K69 L72 S800 K805 L806	E65-Y802 HydrophobicContact CG-CD2 3.63Å; E65-Y802 HydrophobicContact CG-CE2 3.75Å; E65-Y802 WeakPolarHBondContact OE1-CD2 3.37Å; K69-Y802 HydrophobicContact CB-CD1 4.43Å; K69-Y802 HydrophobicContact CB-CE1 4.4Å; K69-Y802 HydrophobicContact CD-CE1 4.31Å; K69-Y802 HydrophobicContact CG-CD1 4.41Å; K69-Y802 HydrophobicContact CG-CE1 4.02Å; L72-Y802 HydrophobicContact CD2-CD1 3.79Å; S800-Y802 PolarHBondContact O-N 3.27Å; S800-Y802 VanDerWaalsContact O-N 3.09Å; S800-Y802 WeakPolarHBondContact OG-CD2 3.35Å; S800-Y802 PolarHBondContact OG-N 2.81Å; Y802-K805 PolarHBondContact O-N 3.22Å; Y802-L806 WeakPolarHBondContact O-CG 3.5Å; Y802-L806 PolarHBondContact O-N 3.42Å
803	F	77.6	Confident	73.6	Confident	29 Å²	29	70.7 Å²	70.7	13%	0.127	35%	0.35	C	S	.	.	H	α-helix	trans	-65.6	-44.1	174.6	179.2	-123.3	0	0	0	111.8	L68 V108 S800 K805 L806 Q807	L68-F803 HydrophobicContact CD1-CB 4.02Å; L68-F803 HydrophobicContact CD2-CB 4.2Å; L68-F803 HydrophobicContact CD2-CD2 4.26Å; V108-F803 HydrophobicContact CG1-CD1 4.17Å; V108-F803 HydrophobicContact CG1-CE1 4.37Å; V108-F803 HydrophobicContact CG1-CG 4.25Å; V108-F803 HydrophobicContact CG2-CD1 4.46Å; V108-F803 HydrophobicContact CG2-CD2 3.97Å; V108-F803 HydrophobicContact CG2-CE1 4.05Å; V108-F803 HydrophobicContact CG2-CE2 3.53Å; V108-F803 HydrophobicContact CG2-CG 4.43Å; V108-F803 HydrophobicContact CG2-CZ 3.57Å; S800-F803 WeakPolarHBondContact O-CA 3.48Å; S800-F803 WeakPolarHBondContact O-CB 3.47Å; S800-F803 PolarHBondContact O-N 3.35Å; F803-K805 PolarHBondContact O-N 3.11Å; F803-L806 PolarHBondContact O-N 3.49Å; F803-L806 VanDerWaalsContact O-N 3.14Å; F803-Q807 HydrophobicContact CD2-CG 4.49Å; F803-Q807 HydrophobicContact CE1-CG 4.34Å; F803-Q807 HydrophobicContact CE2-CG 4.07Å; F803-Q807 HydrophobicContact CZ-CG 3.99Å; F803-Q807 PolarHBondContact O-N 3.42Å
804	R	80.1	Confident	72.2	Confident	104 Å²	104	70.7 Å²	70.7	39%	0.392	35%	0.353	S	S	.	.	H	α-helix	trans	-57	-37.3	173.2	-63.6	-174.9	-176.7	-179.9	0.2	112.4	D799 S800 A808	D799-R804 WeakPolarHBondContact OD1-CG 3.35Å; D799-R804 IonicContact OD1-CZ 2.77Å; D799-R804 IonicContact OD1-NE 2.68Å; D799-R804 PolarHBondContact OD1-NE 3.37Å; D799-R804 IonicContact OD1-NH2 2.99Å; D799-R804 IonicContact OD2-CZ 2.69Å; D799-R804 IonicContact OD2-NE 2.65Å; D799-R804 PolarHBondContact OD2-NE 3.46Å; D799-R804 IonicContact OD2-NH2 3.79Å; D799-R804 PolarHBondContact OD2-NH2 3.07Å; S800-R804 PolarHBondContact O-N 2.93Å; R804-A808 PolarHBondContact O-N 2.93Å; R804-A808 VanDerWaalsContact O-N 3.17Å
805	K	77.8	Confident	71	Confident	117 Å²	117	71.6 Å²	71.6	51%	0.509	37%	0.366	S	S	.	.	H	α-helix	trans	-70.8	-41.4	174.4	-74.8	171.3	-180	177.5	0	113.1	L72 T801 Y802 F803 A808 L809	L72-K805 HydrophobicContact CD1-CB 4.28Å; L72-K805 HydrophobicContact CD2-CB 4.41Å; L72-K805 HydrophobicContact CD2-CD 4.34Å; T801-K805 VanDerWaalsContact O-CG 3.31Å; T801-K805 WeakPolarHBondContact O-CG 3.42Å; T801-K805 PolarHBondContact O-N 3.04Å; Y802-K805 PolarHBondContact O-N 3.22Å; F803-K805 PolarHBondContact O-N 3.11Å; K805-A808 WeakPolarHBondContact O-CB 3.42Å; K805-A808 PolarHBondContact O-N 2.94Å; K805-L809 WeakPolarHBondContact O-CG 3.4Å; K805-L809 PolarHBondContact O-N 3.37Å
806	L	74.6	Confident	70	Confident	2 Å²	2	74.2 Å²	74.2	1%	0.01	37%	0.37	C	S	.	.	H	α-helix	trans	-60.6	-44.2	173.7	-72.8	165.9	0	0	0	111.2	L68 I71 L72 I106 Y802 F803 A808 L809 H810	L68-L806 HydrophobicContact CB-CD1 4.38Å; L68-L806 HydrophobicContact CD2-CD1 3.72Å; I71-L806 HydrophobicContact CB-CD1 4.42Å; I71-L806 HydrophobicContact CG2-CD1 4.19Å; I71-L806 HydrophobicContact CG2-CD2 3.9Å; L72-L806 HydrophobicContact CB-CD2 4.06Å; L72-L806 HydrophobicContact CB-CG 4.33Å; L72-L806 HydrophobicContact CD1-CD2 3.84Å; L72-L806 HydrophobicContact CD1-CG 4.1Å; I106-L806 HydrophobicContact CD1-CD1 4.28Å; Y802-L806 WeakPolarHBondContact O-CG 3.5Å; Y802-L806 PolarHBondContact O-N 3.42Å; F803-L806 PolarHBondContact O-N 3.49Å; F803-L806 VanDerWaalsContact O-N 3.14Å; L806-A808 VanDerWaalsContact C-N 3.31Å; L806-A808 PolarHBondContact O-N 2.83Å; L806-L809 PolarHBondContact O-N 3.18Å; L806-H810 WeakPolarHBondContact O-CB 3.34Å; L806-H810 PolarHBondContact O-CD2 3Å; L806-H810 PolarHBondContact O-N 2.78Å
807	Q	73.2	Confident	68.6	Low	77 Å²	77	81.3 Å²	81.3	36%	0.36	40%	0.401	S	S	.	.	H	α-helix	trans	-58.8	-39.9	173.2	-74.8	-161.9	11.5	0	0	112.9	F803 H810 K811	F803-Q807 HydrophobicContact CD2-CG 4.49Å; F803-Q807 HydrophobicContact CE1-CG 4.34Å; F803-Q807 HydrophobicContact CE2-CG 4.07Å; F803-Q807 HydrophobicContact CZ-CG 3.99Å; F803-Q807 PolarHBondContact O-N 3.42Å; Q807-H810 PolarHBondContact O-N 2.78Å; Q807-K811 WeakPolarHBondContact O-CB 3.32Å; Q807-K811 VanDerWaalsContact O-CG 3.26Å; Q807-K811 WeakPolarHBondContact O-CG 3.45Å; Q807-K811 PolarHBondContact O-N 2.94Å
808	A	75.9	Confident	66.8	Low	47 Å²	47	79.8 Å²	79.8	39%	0.388	41%	0.408	S	S	.	.	H	α-helix	trans	-63.8	-47.2	177.5	0	0	0	0	0	111.4	R804 K805 L806 H810 K811 E812	R804-A808 PolarHBondContact O-N 2.93Å; R804-A808 VanDerWaalsContact O-N 3.17Å; K805-A808 WeakPolarHBondContact O-CB 3.42Å; K805-A808 PolarHBondContact O-N 2.94Å; L806-A808 VanDerWaalsContact C-N 3.31Å; L806-A808 PolarHBondContact O-N 2.83Å; A808-H810 VanDerWaalsContact C-N 3.34Å; A808-H810 PolarHBondContact O-N 3.25Å; A808-K811 PolarHBondContact O-N 3.07Å; A808-E812 PolarHBondContact O-N 2.97Å
809	L	71.6	Confident	65.2	Low	54 Å²	54	81.5 Å²	81.5	28%	0.283	43%	0.432	S	S	.	.	H	α-helix	trans	-61.7	-39.6	175.9	-67.2	172	0	0	0	112.3	L72 K805 L806 E812 T813	L72-L809 HydrophobicContact CD1-CD1 3.61Å; K805-L809 WeakPolarHBondContact O-CG 3.4Å; K805-L809 PolarHBondContact O-N 3.37Å; L806-L809 PolarHBondContact O-N 3.18Å; L809-E812 PolarHBondContact O-N 2.99Å; L809-T813 WeakPolarHBondContact O-CB 3.33Å; L809-T813 PolarHBondContact O-N 3.42Å; L809-T813 PolarHBondContact O-OG1 2.8Å
810	H	67.6	Low	63.8	Low	83 Å²	83	83.9 Å²	83.9	38%	0.384	44%	0.444	S	S	.	.	H	α-helix	trans	-65.9	-41.1	175.6	-78.1	-153	0	0	0	111.7	Q75 L806 Q807 A808 T813 L814	Q75-H810 PolarHBondContact NE2-NE2 3.01Å; Q75-H810 PolarHBondContact OE1-NE2 3.14Å; L806-H810 WeakPolarHBondContact O-CB 3.34Å; L806-H810 PolarHBondContact O-CD2 3Å; L806-H810 PolarHBondContact O-N 2.78Å; Q807-H810 PolarHBondContact O-N 2.78Å; A808-H810 VanDerWaalsContact C-N 3.34Å; A808-H810 PolarHBondContact O-N 3.25Å; H810-T813 PolarHBondContact O-N 3.38Å; H810-T813 VanDerWaalsContact O-N 3.16Å; H810-L814 WeakPolarHBondContact O-CB 3.44Å; H810-L814 WeakPolarHBondContact O-CG 3.17Å; H810-L814 PolarHBondContact O-N 3.13Å
811	K	72.1	Confident	61.8	Low	133 Å²	133	89.8 Å²	89.8	58%	0.578	48%	0.48	S	S	*	.	H	α-helix	trans	-63.6	-40.8	174.2	-74.1	168.1	-177.4	170.7	0	112.3	Q807 A808 T813 S815	Q807-K811 WeakPolarHBondContact O-CB 3.32Å; Q807-K811 VanDerWaalsContact O-CG 3.26Å; Q807-K811 WeakPolarHBondContact O-CG 3.45Å; Q807-K811 PolarHBondContact O-N 2.94Å; A808-K811 PolarHBondContact O-N 3.07Å; K811-T813 VanDerWaalsContact C-N 3.26Å; K811-T813 PolarHBondContact O-N 2.8Å; K811-S815 WeakPolarHBondContact O-CB 3.36Å; K811-S815 PolarHBondContact O-N 3.21Å; K811-S815 PolarHBondContact O-OG 3.2Å
812	E	64.8	Low	59.7	Low	110 Å²	110	93.5 Å²	93.5	51%	0.514	50%	0.503	S	S	.	.	H	α-helix	trans	-67.4	-22.8	172.8	-74.1	-174.1	-171.9	0	0	114.2	A808 L809 S815 K816	A808-E812 PolarHBondContact O-N 2.97Å; L809-E812 PolarHBondContact O-N 2.99Å; E812-S815 PolarHBondContact O-OG 3.25Å; E812-K816 VanDerWaalsContact O-CD 3.29Å; E812-K816 WeakPolarHBondContact O-CD 3.29Å; E812-K816 WeakPolarHBondContact O-CE 3.31Å; E812-K816 WeakPolarHBondContact O-CG 3.18Å
813	T	58.7	Low	57.4	Low	81 Å²	81	96.6 Å²	96.6	50%	0.497	53%	0.531	S	S	.	.	H	α-helix	trans	-86.8	-38.5	178.3	-56	0	0	0	0	111	L809 H810 K811	L809-T813 WeakPolarHBondContact O-CB 3.33Å; L809-T813 PolarHBondContact O-N 3.42Å; L809-T813 PolarHBondContact O-OG1 2.8Å; H810-T813 PolarHBondContact O-N 3.38Å; H810-T813 VanDerWaalsContact O-N 3.16Å; K811-T813 VanDerWaalsContact C-N 3.26Å; K811-T813 PolarHBondContact O-N 2.8Å
814	L	51	Low	55	Low	118 Å²	118	103.2 Å²	103.2	62%	0.618	56%	0.562	S	S	*	*	H	α-helix	trans	-71.2	-39.3	176.4	-71.5	168	0	0	0	112.2	H810 K816 K817 A818	H810-L814 WeakPolarHBondContact O-CB 3.44Å; H810-L814 WeakPolarHBondContact O-CG 3.17Å; H810-L814 PolarHBondContact O-N 3.13Å; L814-K816 PolarHBondContact O-N 3.12Å; L814-K817 PolarHBondContact O-N 3.1Å; L814-A818 PolarHBondContact O-N 3.37Å
815	S	53.3	Low	52.6	Low	80 Å²	80	105.9 Å²	105.9	56%	0.559	58%	0.583	S	S	*	*	H	α-helix	trans	-61.4	-27.8	176.8	64.6	0	0	0	0	113.1	K811 E812	K811-S815 WeakPolarHBondContact O-CB 3.36Å; K811-S815 PolarHBondContact O-N 3.21Å; K811-S815 PolarHBondContact O-OG 3.2Å; E812-S815 PolarHBondContact O-OG 3.25Å
816	K	54.7	Low	50.1	Low	151 Å²	151	103.6 Å²	103.6	66%	0.657	59%	0.592	S	S	*	*	H	α-helix	trans	-77.1	-21.4	174.2	-68.3	170.8	-170.2	162.6	0	113.9	E812 L814	E812-K816 VanDerWaalsContact O-CD 3.29Å; E812-K816 WeakPolarHBondContact O-CD 3.29Å; E812-K816 WeakPolarHBondContact O-CE 3.31Å; E812-K816 WeakPolarHBondContact O-CG 3.18Å; L814-K816 PolarHBondContact O-N 3.12Å
817	K	47.4	Very low	47.7	Very low	161 Å²	161	109.8 Å²	109.8	70%	0.7	64%	0.636	S	S	*	*	H	α-helix	trans	-89.1	-15.1	174.8	-74.3	-172.1	174.6	-177.9	0	113.4	L814	L814-K817 PolarHBondContact O-N 3.1Å
818	A	35.5	Very low	45.4	Very low	85 Å²	85	109.8 Å²	109.8	70%	0.702	66%	0.656	S	S	*	*	S	Bend	trans	-86.1	-0.8	-178.4	0	0	0	0	0	114.9	L814	L814-A818 PolarHBondContact O-N 3.37Å
819	G	38.9	Very low	43.5	Very low	61 Å²	61	115.3 Å²	115.3	63%	0.629	68%	0.678	S	S	*	*	S	Bend	trans	-84.5	-27.8	-178.8	0	0	0	0	0	115.2
820	D	38.4	Very low	41.3	Very low	146 Å²	146	121 Å²	121	78%	0.781	71%	0.707	S	S	*	*	S	Bend	trans	-110.6	54.7	-161.4	-67.6	-34.5	0	0	0	114
821	T	35	Very low	39.4	Very low	130 Å²	130	121.7 Å²	121.7	80%	0.798	72%	0.722	S	S	*	*			trans	-160.2	82.9	157.6	20.8	0	0	0	0	113.2
822	T	29.5	Very low	37.8	Very low	145 Å²	145	123.1 Å²	123.1	89%	0.89	74%	0.735	S	S	*	*			trans	-178.3	116.7	135.9	28.3	0	0	0	0	111.3
823	C	27.7	Very low	36.1	Very low	115 Å²	115	121.7 Å²	121.7	78%	0.777	74%	0.737	S	S	*	*			trans	-84	171.9	145.8	-57.3	0	0	0	0	107.3
824	E	28.2	Very low	34.9	Very low	167 Å²	167	125.3 Å²	125.3	78%	0.78	75%	0.753	S	S	*	*			cis	-166.3	137.2	24.7	-154.1	177.2	-113.1	0	0	106.3
825	I	29.4	Very low	34.3	Very low	161 Å²	161	124.2 Å²	124.2	83%	0.826	75%	0.751	S	S	*	*				161.8	144.7	99.5	-82.6	161.5	0	0	0	106.1
826	G	25.2	Very low	33.6	Very low	69 Å²	69	124.1 Å²	124.1	71%	0.711	75%	0.751	S	S	*	*			trans	144	99.7	159.6	0	0	0	0	0	117.2
827	S	23.1	Very low	33.2	Very low	132 Å²	132	124.5 Å²	124.5	92%	0.923	75%	0.752	S	S	*	*			trans	-7.6	141.5	162.8	-52.9	0	0	0	0	120
828	G	25.1	Very low	33.2	Very low	76 Å²	76	123.7 Å²	123.7	78%	0.784	75%	0.745	S	S	*	*			cis	-178.1	173.2	5.7	0	0	0	0	0	113.2
829	I	35.8	Very low	33.9	Very low	164 Å²	164	123.4 Å²	123.4	84%	0.841	73%	0.734	S	S	*	*			trans	-82.7	131.6	-164.6	-60.9	165.1	0	0	0	113.2
830	L	26	Very low	34.8	Very low	173 Å²	173	124.6 Å²	124.6	91%	0.906	72%	0.723	S	S	*	*			trans	-141	116	146.4	-84.6	-176.3	0	0	0	112.9
831	S	27.6	Very low	35.8	Very low	98 Å²	98	121.6 Å²	121.6	69%	0.685	70%	0.702	S	S	*	*			trans	55.6	81.3	156.2	-160.4	0	0	0	0	119.5
832	L	37.5	Very low	37.4	Very low	163 Å²	163	118 Å²	118	85%	0.853	67%	0.674	S	S	*	*			trans	-75.3	131.4	152.9	-170.3	84.6	0	0	0	109.7
833	S	29.6	Very low	39.2	Very low	79 Å²	79	116 Å²	116	55%	0.552	66%	0.657	S	S	*	*			trans	-160.8	-41.7	168.3	51.2	0	0	0	0	115.4	V835	S833-V835 PolarHBondContact O-N 3.46Å
834	N	33.1	Very low	40.9	Very low	157 Å²	157	116.3 Å²	116.3	84%	0.84	65%	0.651	S	S	*	*	S	Bend	trans	-92.2	11.9	-166.9	-82.4	-45.1	0	0	0	116.7
835	V	38.4	Very low	42.8	Very low	96 Å²	96	108.5 Å²	108.5	58%	0.582	62%	0.615	S	S	*	*	S	Bend	trans	-98.9	-29.5	-177.6	-176.7	0	0	0	0	113.8	S833 K837 R838	S833-V835 PolarHBondContact O-N 3.46Å; V835-K837 VanDerWaalsContact C-N 3.35Å; V835-K837 PolarHBondContact O-N 2.9Å; V835-R838 WeakPolarHBondContact O-CB 3.45Å; V835-R838 PolarHBondContact O-N 2.82Å; V835-R838 VanDerWaalsContact O-N 3.08Å
836	S	40.5	Very low	44.5	Very low	78 Å²	78	103.6 Å²	103.6	55%	0.545	59%	0.594	S	S	.	*	G	3₁₀ helix	trans	-49.8	-49.1	-171.5	-166.7	0	0	0	0	113.9	R838 T839 E840	S836-R838 PolarHBondContact O-N 3.23Å; S836-T839 PolarHBondContact O-N 3.27Å; S836-E840 VanDerWaalsContact C-OE1 3.31Å; S836-E840 PolarHBondContact OG-OE1 3.48Å
837	K	45.9	Very low	46.6	Very low	159 Å²	159	104.1 Å²	104.1	69%	0.691	59%	0.592	S	S	*	*	G	3₁₀ helix	trans	-68.6	1.2	-174.7	-61.5	-171.7	177.1	-175	0	115.3	V835 Y841	V835-K837 VanDerWaalsContact C-N 3.35Å; V835-K837 PolarHBondContact O-N 2.9Å; K837-Y841 WeakPolarHBondContact O-CE2 3.4Å
838	R	46.8	Very low	48.5	Very low	143 Å²	143	105 Å²	105	54%	0.54	58%	0.581	S	S	.	*	G	3₁₀ helix	trans	-95.1	-19.1	-176.6	-136.2	175.3	-173.4	-173.5	-3.1	113.6	V835 S836	V835-R838 WeakPolarHBondContact O-CB 3.45Å; V835-R838 PolarHBondContact O-N 2.82Å; V835-R838 VanDerWaalsContact O-N 3.08Å; S836-R838 PolarHBondContact O-N 3.23Å
839	T	50.3	Low	50.4	Low	79 Å²	79	103.5 Å²	103.5	49%	0.485	55%	0.552	S	S	.	*	T	Hydrogen-bonded Turn	trans	-94.8	-42.3	-179.4	-36.5	0	0	0	0	111.3	S836 Y841 W842 D843	S836-T839 PolarHBondContact O-N 3.27Å; T839-Y841 PolarHBondContact O-N 2.9Å; T839-W842 PolarHBondContact O-N 3.17Å; T839-D843 PolarHBondContact O-N 3.38Å
840	E	56.9	Low	51.9	Low	86 Å²	86	99.6 Å²	99.6	40%	0.402	53%	0.529	S	S	.	.	H	α-helix	trans	-48.6	-32.8	-172	-65.4	160.2	-161.7	0	0	114.8	S836 N844	S836-E840 VanDerWaalsContact C-OE1 3.31Å; S836-E840 PolarHBondContact OG-OE1 3.48Å; E840-N844 PolarHBondContact O-ND2 3.48Å
841	Y	59.8	Low	53.8	Low	83 Å²	83	99.2 Å²	99.2	33%	0.325	52%	0.522	S	S	.	.	H	α-helix	trans	-79.9	-32.4	179.7	-62.9	-67.1	0	0	0	114.2	K837 T839 D843 P969 L970	K837-Y841 WeakPolarHBondContact O-CE2 3.4Å; T839-Y841 PolarHBondContact O-N 2.9Å; Y841-D843 VanDerWaalsContact C-N 3.33Å; Y841-P969 WeakPolarHBondContact O-CB 3.43Å; Y841-L970 HydrophobicContact CD1-CD1 4.5Å; Y841-L970 HydrophobicContact CD1-CD2 3.95Å; Y841-L970 HydrophobicContact CD1-CG 4.25Å; Y841-L970 HydrophobicContact CE1-CD2 4.37Å
842	W	68.9	Low	55.8	Low	55 Å²	55	96.8 Å²	96.8	21%	0.208	50%	0.499	C	S	.	.	H	α-helix	trans	-78.2	-18.9	178	-81.3	111.2	0	0	0	112.7	T839 V845 K850 E964 L968 P969 L972	T839-W842 PolarHBondContact O-N 3.17Å; W842-V845 HydrophobicContact CE3-CB 4.39Å; W842-V845 HydrophobicContact CE3-CG2 4.03Å; W842-V845 PolarHBondContact O-N 2.86Å; W842-K850 WeakPolarHBondContact O-CE 3.27Å; W842-K850 PolarHBondContact O-NZ 3.42Å; W842-E964 VanDerWaalsContact CZ2-O 3.3Å; W842-E964 WeakPolarHBondContact CZ2-O 3.37Å; W842-L968 HydrophobicContact CH2-CD2 4.36Å; W842-P969 HydrophobicContact CD2-CB 4.26Å; W842-P969 HydrophobicContact CD2-CG 3.66Å; W842-P969 HydrophobicContact CE3-CB 4.36Å; W842-P969 HydrophobicContact CE3-CG 4.07Å; W842-P969 HydrophobicContact CG-CG 4.1Å; W842-P969 HydrophobicContact CH2-CG 4.23Å; W842-P969 HydrophobicContact CZ2-CG 3.83Å; W842-P969 HydrophobicContact CZ3-CG 4.33Å; W842-L972 HydrophobicContact CZ3-CD1 4.24Å
843	D	67.8	Low	57.5	Low	102 Å²	102	95.2 Å²	95.2	55%	0.545	49%	0.485	S	S	.	.	H	α-helix	trans	-72.6	-29.4	176.4	-68.2	-38.9	0	0	0	113	T839 Y841 V845 K850	T839-D843 PolarHBondContact O-N 3.38Å; Y841-D843 VanDerWaalsContact C-N 3.33Å; D843-V845 VanDerWaalsContact C-N 3.28Å; D843-V845 PolarHBondContact O-N 2.96Å; D843-K850 IonicContact OD1-NZ 3.53Å
844	N	62.8	Low	59.5	Low	122 Å²	122	91.4 Å²	91.4	65%	0.652	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-7.8	174.9	-68.7	-67.2	0	0	0	114.2	E840	E840-N844 PolarHBondContact O-ND2 3.48Å
845	V	68.2	Low	61.2	Low	4 Å²	4	86.4 Å²	86.4	2%	0.024	44%	0.436	C	S	.	.	S	Bend	trans	-85.5	130.8	178.5	-177.7	0	0	0	0	109.9	W842 D843 K850 P969 L972	W842-V845 HydrophobicContact CE3-CB 4.39Å; W842-V845 HydrophobicContact CE3-CG2 4.03Å; W842-V845 PolarHBondContact O-N 2.86Å; D843-V845 VanDerWaalsContact C-N 3.28Å; D843-V845 PolarHBondContact O-N 2.96Å; V845-K850 HydrophobicContact CB-CG 4.29Å; V845-K850 HydrophobicContact CG1-CG 4.22Å; V845-K850 WeakPolarHBondContact O-CE 3.35Å; V845-P969 HydrophobicContact CG2-CB 3.69Å; V845-P969 WeakPolarHBondContact CG2-O 3.04Å; V845-L972 HydrophobicContact CG1-CB 3.96Å; V845-L972 HydrophobicContact CG1-CD1 4.44Å
846	P	66.3	Low	62.7	Low	58 Å²	58	84.6 Å²	84.6	38%	0.377	42%	0.423	S	S	.	.			trans	-53.5	140.4	171.9	-26.3	34.4	0	0	0	112	E848 Y849	P846-E848 PolarHBondContact O-N 3.17Å; P846-Y849 HydrophobicContact CB-CD2 3.95Å; P846-Y849 HydrophobicContact CB-CE2 4.23Å; P846-Y849 HydrophobicContact CG-CD2 4.1Å; P846-Y849 HydrophobicContact CG-CE2 4.31Å; P846-Y849 PolarHBondContact O-N 2.99Å
847	A	67.3	Low	64.1	Low	80 Å²	80	80.9 Å²	80.9	66%	0.661	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-53.1	-35.2	-174.3	0	0	0	0	0	113.2	Y849 K850	A847-Y849 PolarHBondContact O-N 3.34Å; A847-Y849 VanDerWaalsContact O-N 3.17Å; A847-K850 PolarHBondContact O-N 3.49Å
848	E	63.3	Low	65.1	Low	149 Å²	149	76.5 Å²	76.5	70%	0.696	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-49.9	-33.6	173.9	-67	156	-153.7	0	0	114.1	P846	P846-E848 PolarHBondContact O-N 3.17Å
849	Y	66.4	Low	66.1	Low	46 Å²	46	76.2 Å²	76.2	18%	0.18	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-108.4	-0.2	-173.4	-50	-54.9	0	0	0	114.1	P846 A847 H851 F852 F977	P846-Y849 HydrophobicContact CB-CD2 3.95Å; P846-Y849 HydrophobicContact CB-CE2 4.23Å; P846-Y849 HydrophobicContact CG-CD2 4.1Å; P846-Y849 HydrophobicContact CG-CE2 4.31Å; P846-Y849 PolarHBondContact O-N 2.99Å; A847-Y849 PolarHBondContact O-N 3.34Å; A847-Y849 VanDerWaalsContact O-N 3.17Å; Y849-H851 PolarHBondContact O-N 3.32Å; Y849-F852 WeakPolarHBondContact O-CB 3.49Å; Y849-F852 PolarHBondContact O-N 3.43Å; Y849-F852 VanDerWaalsContact O-N 3.11Å; Y849-F977 HydrophobicContact CD1-CE1 4.07Å; Y849-F977 HydrophobicContact CD2-CE1 4.28Å; Y849-F977 HydrophobicContact CE1-CE1 4.14Å; Y849-F977 HydrophobicContact CE2-CE1 4.33Å; Y849-F977 HydrophobicContact CG-CE1 4.16Å
850	K	66.6	Low	67.2	Low	82 Å²	82	74.8 Å²	74.8	36%	0.357	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-5.8	-179.7	-64.9	-163.1	-175.6	-155.6	0	114.7	W842 D843 V845 A847	W842-K850 WeakPolarHBondContact O-CE 3.27Å; W842-K850 PolarHBondContact O-NZ 3.42Å; D843-K850 IonicContact OD1-NZ 3.53Å; V845-K850 HydrophobicContact CB-CG 4.29Å; V845-K850 HydrophobicContact CG1-CG 4.22Å; V845-K850 WeakPolarHBondContact O-CE 3.35Å; A847-K850 PolarHBondContact O-N 3.49Å
851	H	66.8	Low	67.9	Low	164 Å²	164	78.4 Å²	78.4	76%	0.759	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	-7.3	175	-59.5	-46.6	0	0	0	114.2	Y849	Y849-H851 PolarHBondContact O-N 3.32Å
852	F	69.4	Low	68.5	Low	47 Å²	47	79.9 Å²	79.9	21%	0.206	41%	0.407	C	S	.	.			trans	-74.5	131.6	-173	-149.9	-78.6	0	0	0	111.4	Y849 D856 L857 L972	Y849-F852 WeakPolarHBondContact O-CB 3.49Å; Y849-F852 PolarHBondContact O-N 3.43Å; Y849-F852 VanDerWaalsContact O-N 3.11Å; F852-D856 HydrophobicContact CD1-CB 4.21Å; F852-D856 HydrophobicContact CE1-CB 3.89Å; F852-D856 HydrophobicContact CZ-CB 4.26Å; F852-L857 HydrophobicContact CE1-CD2 3.73Å; F852-L857 HydrophobicContact CE1-CG 3.87Å; F852-L857 HydrophobicContact CZ-CD2 4.34Å; F852-L972 HydrophobicContact CB-CD1 3.98Å; F852-L972 HydrophobicContact CB-CD2 4.35Å; F852-L972 HydrophobicContact CD1-CD2 4.33Å; F852-L972 HydrophobicContact CG-CD2 4.22Å
853	K	72.4	Confident	68.7	Low	130 Å²	130	78.2 Å²	78.2	57%	0.565	40%	0.401	S	S	*	.			trans	-113.1	160.4	-178.3	-62.9	174.6	-177	175.5	0	112	S855 D856 L857	K853-S855 VanDerWaalsContact CB-OG 3.31Å; K853-S855 WeakPolarHBondContact CB-OG 3.48Å; K853-S855 PolarHBondContact O-N 3.14Å; K853-D856 WeakPolarHBondContact CB-OD2 3.33Å; K853-D856 PolarHBondContact N-OD2 2.97Å; K853-D856 WeakPolarHBondContact O-CB 3.31Å; K853-D856 PolarHBondContact O-N 2.9Å; K853-L857 PolarHBondContact O-N 3.33Å
854	F	72.4	Confident	69.2	Low	0 Å²	0	75.4 Å²	75.4	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-63.2	-26.3	174.8	-178.3	-110.8	0	0	0	112.7	D856 L857 L858 F864 F867 L880 W883 Q960 L963 E964	F854-D856 PolarHBondContact O-N 3.37Å; F854-L857 HydrophobicContact CD2-CD1 4.33Å; F854-L858 HydrophobicContact CD1-CD1 3.89Å; F854-L858 HydrophobicContact CD1-CG 4.47Å; F854-L858 HydrophobicContact CE1-CD1 3.72Å; F854-L858 HydrophobicContact CE1-CG 4.19Å; F854-L858 HydrophobicContact CZ-CD1 4.38Å; F854-L858 HydrophobicContact CZ-CD2 4.41Å; F854-L858 HydrophobicContact CZ-CG 4.38Å; F854-L858 WeakPolarHBondContact O-CG 3.38Å; F854-L858 PolarHBondContact O-N 2.85Å; F854-L858 VanDerWaalsContact O-N 3.16Å; F854-F864 HydrophobicContact CE2-CE2 4.27Å; F854-F864 HydrophobicContact CZ-CE2 4.23Å; F854-F867 HydrophobicContact CD2-CE1 4.21Å; F854-F867 HydrophobicContact CE2-CD1 4.27Å; F854-F867 AromaticContact CE2-CE1 3.75Å; F854-F867 HydrophobicContact CE2-CE1 3.75Å; F854-L880 HydrophobicContact CE2-CD1 4.18Å; F854-L880 HydrophobicContact CZ-CD1 3.88Å; F854-W883 HydrophobicContact CE1-CD2 4.24Å; F854-W883 HydrophobicContact CE1-CE3 4.49Å; F854-W883 HydrophobicContact CE1-CH2 4.39Å; F854-W883 HydrophobicContact CE1-CZ2 4.1Å; F854-Q960 HydrophobicContact CD1-CG 4.43Å; F854-L963 HydrophobicContact CE2-CD1 4.42Å; F854-L963 HydrophobicContact CZ-CD1 4.08Å; F854-E964 HydrophobicContact CB-CG 3.5Å; F854-E964 VanDerWaalsContact CB-CG 3.5Å; F854-E964 HydrophobicContact CG-CG 4.38Å
855	S	68.6	Low	69.8	Low	51 Å²	51	74.5 Å²	74.5	36%	0.357	38%	0.377	S	S	.	.	H	α-helix	trans	-56.1	-30.7	167.7	50.3	0	0	0	0	113.5	K853 L858 N859	K853-S855 VanDerWaalsContact CB-OG 3.31Å; K853-S855 WeakPolarHBondContact CB-OG 3.48Å; K853-S855 PolarHBondContact O-N 3.14Å; S855-L858 PolarHBondContact O-N 3.39Å; S855-N859 PolarHBondContact O-N 3.05Å; S855-N859 PolarHBondContact O-ND2 3.37Å; S855-N859 VanDerWaalsContact O-ND2 3.09Å
856	D	69.5	Low	70.3	Confident	59 Å²	59	77.3 Å²	77.3	32%	0.316	39%	0.389	S	S	.	.	H	α-helix	trans	-88.5	-34.6	-168.2	-45.4	-24.5	0	0	0	109.4	F852 K853 F854 N859 N860	F852-D856 HydrophobicContact CD1-CB 4.21Å; F852-D856 HydrophobicContact CE1-CB 3.89Å; F852-D856 HydrophobicContact CZ-CB 4.26Å; K853-D856 WeakPolarHBondContact CB-OD2 3.33Å; K853-D856 PolarHBondContact N-OD2 2.97Å; K853-D856 WeakPolarHBondContact O-CB 3.31Å; K853-D856 PolarHBondContact O-N 2.9Å; F854-D856 PolarHBondContact O-N 3.37Å; D856-N859 PolarHBondContact O-N 3.23Å; D856-N860 PolarHBondContact O-N 2.96Å
857	L	69.7	Low	71	Confident	0 Å²	0	74.5 Å²	74.5	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-57.4	-46.2	162	-69.8	-177.4	0	0	0	111.5	F852 K853 F854 N859 N860 E863 F867 L968 F971	F852-L857 HydrophobicContact CE1-CD2 3.73Å; F852-L857 HydrophobicContact CE1-CG 3.87Å; F852-L857 HydrophobicContact CZ-CD2 4.34Å; K853-L857 PolarHBondContact O-N 3.33Å; F854-L857 HydrophobicContact CD2-CD1 4.33Å; L857-N859 PolarHBondContact O-N 3.35Å; L857-N859 VanDerWaalsContact O-N 3.17Å; L857-N860 CarbonylContact O-C 3.57Å; L857-N860 PolarHBondContact O-N 3.15Å; L857-N860 VanDerWaalsContact O-O 3.06Å; L857-E863 HydrophobicContact CD2-CB 4Å; L857-F867 HydrophobicContact CD1-CB 4.02Å; L857-F867 HydrophobicContact CD1-CD1 3.97Å; L857-F867 HydrophobicContact CD1-CD2 3.89Å; L857-F867 HydrophobicContact CD1-CE1 4.4Å; L857-F867 HydrophobicContact CD1-CE2 4.34Å; L857-F867 HydrophobicContact CD1-CG 3.69Å; L857-L968 HydrophobicContact CD1-CD1 3.73Å; L857-L968 HydrophobicContact CG-CD1 4.31Å; L857-F971 HydrophobicContact CD2-CE1 4.01Å
858	L	67.7	Low	71.5	Confident	66 Å²	66	74.6 Å²	74.6	35%	0.346	35%	0.354	S	S	.	.	H	α-helix	trans	-61.2	-25.3	-178.8	-75.1	167.2	0	0	0	113.5	F854 S855 F864 W883	F854-L858 HydrophobicContact CD1-CD1 3.89Å; F854-L858 HydrophobicContact CD1-CG 4.47Å; F854-L858 HydrophobicContact CE1-CD1 3.72Å; F854-L858 HydrophobicContact CE1-CG 4.19Å; F854-L858 HydrophobicContact CZ-CD1 4.38Å; F854-L858 HydrophobicContact CZ-CD2 4.41Å; F854-L858 HydrophobicContact CZ-CG 4.38Å; F854-L858 WeakPolarHBondContact O-CG 3.38Å; F854-L858 PolarHBondContact O-N 2.85Å; F854-L858 VanDerWaalsContact O-N 3.16Å; S855-L858 PolarHBondContact O-N 3.39Å; L858-F864 HydrophobicContact CD2-CD2 3.93Å; L858-F864 HydrophobicContact CD2-CE2 3.48Å; L858-F864 VanDerWaalsContact CD2-CE2 3.48Å; L858-F864 HydrophobicContact CD2-CZ 4.07Å; L858-F864 HydrophobicContact CG-CD2 4.49Å; L858-F864 HydrophobicContact CG-CE2 4.34Å; L858-W883 HydrophobicContact CD1-CH2 3.59Å; L858-W883 HydrophobicContact CD1-CZ2 4.02Å; L858-W883 HydrophobicContact CD1-CZ3 4.34Å; L858-W883 HydrophobicContact CD2-CH2 3.96Å; L858-W883 HydrophobicContact CD2-CZ3 3.93Å; L858-W883 HydrophobicContact CG-CH2 4.46Å
859	N	66.1	Low	72.2	Confident	138 Å²	138	72.5 Å²	72.5	74%	0.738	35%	0.345	S	S	*	.	H	α-helix	trans	-78.5	-24.1	174	-68.6	-40.1	0	0	0	112.9	S855 D856 L857	S855-N859 PolarHBondContact O-N 3.05Å; S855-N859 PolarHBondContact O-ND2 3.37Å; S855-N859 VanDerWaalsContact O-ND2 3.09Å; D856-N859 PolarHBondContact O-N 3.23Å; L857-N859 PolarHBondContact O-N 3.35Å; L857-N859 VanDerWaalsContact O-N 3.17Å
860	N	73.4	Confident	72.9	Confident	48 Å²	48	71.6 Å²	71.6	26%	0.257	34%	0.341	S	S	.	.			trans	-111	96.4	-178.7	-171.5	-6.8	0	0	0	112.3	D856 L857 L862 E863 F864	D856-N860 PolarHBondContact O-N 2.96Å; L857-N860 CarbonylContact O-C 3.57Å; L857-N860 PolarHBondContact O-N 3.15Å; L857-N860 VanDerWaalsContact O-O 3.06Å; N860-L862 VanDerWaalsContact C-N 3.27Å; N860-L862 PolarHBondContact O-N 3.22Å; N860-L862 VanDerWaalsContact O-N 3.12Å; N860-L862 PolarHBondContact OD1-N 3.28Å; N860-E863 HydrophobicContact CB-CB 4.21Å; N860-E863 WeakPolarHBondContact ND2-CG 3.33Å; N860-E863 PolarHBondContact ND2-OE1 3.06Å; N860-E863 PolarHBondContact ND2-OE2 2.77Å; N860-E863 PolarHBondContact O-N 3.47Å; N860-E863 VanDerWaalsContact O-N 3.16Å; N860-F864 PolarHBondContact O-N 2.94Å
861	K	72.2	Confident	73.5	Confident	162 Å²	162	67.7 Å²	67.7	70%	0.704	32%	0.324	S	S	*	.	H	α-helix	trans	-49.1	-42.1	-175.9	-62.7	-175.2	178	-175.7	0	114.3	F864 E865	K861-F864 PolarHBondContact O-N 3.38Å; K861-E865 WeakPolarHBondContact O-CG 3.47Å; K861-E865 PolarHBondContact O-N 2.98Å
862	L	73.5	Confident	73.9	Confident	115 Å²	115	64.1 Å²	64.1	60%	0.602	31%	0.308	S	S	*	.	H	α-helix	trans	-74.9	-40.4	-175.9	-62.5	174.8	0	0	0	112.1	N860 F864 E865 H866	N860-L862 VanDerWaalsContact C-N 3.27Å; N860-L862 PolarHBondContact O-N 3.22Å; N860-L862 VanDerWaalsContact O-N 3.12Å; N860-L862 PolarHBondContact OD1-N 3.28Å; L862-F864 VanDerWaalsContact C-N 3.31Å; L862-E865 PolarHBondContact O-N 3.39Å; L862-H866 PolarHBondContact O-CD2 3.24Å; L862-H866 VanDerWaalsContact O-CD2 3.24Å; L862-H866 PolarHBondContact O-N 3Å
863	E	73.5	Confident	74.1	Confident	19 Å²	19	67.5 Å²	67.5	9%	0.089	33%	0.333	C	S	.	.	H	α-helix	trans	-68.2	-33.1	174.5	-75.3	166.7	-173	0	0	111	L857 N860 F867 Q981 K984	L857-E863 HydrophobicContact CD2-CB 4Å; N860-E863 HydrophobicContact CB-CB 4.21Å; N860-E863 WeakPolarHBondContact ND2-CG 3.33Å; N860-E863 PolarHBondContact ND2-OE1 3.06Å; N860-E863 PolarHBondContact ND2-OE2 2.77Å; N860-E863 PolarHBondContact O-N 3.47Å; N860-E863 VanDerWaalsContact O-N 3.16Å; E863-F867 WeakPolarHBondContact O-CB 3.45Å; E863-F867 PolarHBondContact O-N 3.17Å; E863-Q981 PolarHBondContact OE1-NE2 2.94Å; E863-K984 IonicContact OE1-NZ 3.7Å; E863-K984 PolarHBondContact OE1-NZ 3.28Å
864	F	77.3	Confident	73.8	Confident	43 Å²	43	65.3 Å²	65.3	19%	0.189	33%	0.325	C	S	.	.	H	α-helix	trans	-67	-40.6	171.7	-173.3	-99.4	0	0	0	113.4	F854 L858 N860 K861 L862 F867 R868 L880	F854-F864 HydrophobicContact CE2-CE2 4.27Å; F854-F864 HydrophobicContact CZ-CE2 4.23Å; L858-F864 HydrophobicContact CD2-CD2 3.93Å; L858-F864 HydrophobicContact CD2-CE2 3.48Å; L858-F864 VanDerWaalsContact CD2-CE2 3.48Å; L858-F864 HydrophobicContact CD2-CZ 4.07Å; L858-F864 HydrophobicContact CG-CD2 4.49Å; L858-F864 HydrophobicContact CG-CE2 4.34Å; N860-F864 PolarHBondContact O-N 2.94Å; K861-F864 PolarHBondContact O-N 3.38Å; L862-F864 VanDerWaalsContact C-N 3.31Å; F864-F867 PolarHBondContact O-N 2.8Å; F864-R868 PolarHBondContact O-N 3.32Å; F864-L880 HydrophobicContact CE2-CD1 3.95Å; F864-L880 HydrophobicContact CZ-CD1 3.88Å; F864-L880 HydrophobicContact CZ-CD2 4.09Å; F864-L880 HydrophobicContact CZ-CG 4.35Å
865	E	75.9	Confident	73.2	Confident	104 Å²	104	70.6 Å²	70.6	49%	0.486	36%	0.362	S	S	.	.	H	α-helix	trans	-65.9	-38.3	175.1	-77.5	169.5	-162.7	0	0	111.9	K861 L862 R868 Q869	K861-E865 WeakPolarHBondContact O-CG 3.47Å; K861-E865 PolarHBondContact O-N 2.98Å; L862-E865 PolarHBondContact O-N 3.39Å; E865-R868 WeakPolarHBondContact O-CB 3.42Å; E865-R868 PolarHBondContact O-N 2.68Å; E865-Q869 WeakPolarHBondContact O-CG 3.49Å; E865-Q869 PolarHBondContact O-N 2.87Å
866	H	78.4	Confident	72.9	Confident	62 Å²	62	69 Å²	69	29%	0.287	35%	0.35	S	S	.	.	H	α-helix	trans	-68.5	-35.6	171.2	-69	-42.4	0	0	0	113.2	L862 R868 Q869 F870 F971	L862-H866 PolarHBondContact O-CD2 3.24Å; L862-H866 VanDerWaalsContact O-CD2 3.24Å; L862-H866 PolarHBondContact O-N 3Å; H866-R868 VanDerWaalsContact C-N 3.33Å; H866-Q869 PolarHBondContact ND1-OE1 3.3Å; H866-Q869 PolarHBondContact O-N 2.9Å; H866-F870 WeakPolarHBondContact O-CB 3.39Å; H866-F870 PolarHBondContact O-N 3.23Å; H866-F971 HydrophobicContact CB-CE2 4.4Å; H866-F971 HydrophobicContact CB-CZ 4.26Å
867	F	80.8	Confident	73.1	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-64.9	-37.4	172.3	-178.8	-110	0	0	0	111.8	F854 L857 E863 F864 F870 L871 L963 W967 F971	F854-F867 HydrophobicContact CD2-CE1 4.21Å; F854-F867 HydrophobicContact CE2-CD1 4.27Å; F854-F867 AromaticContact CE2-CE1 3.75Å; F854-F867 HydrophobicContact CE2-CE1 3.75Å; L857-F867 HydrophobicContact CD1-CB 4.02Å; L857-F867 HydrophobicContact CD1-CD1 3.97Å; L857-F867 HydrophobicContact CD1-CD2 3.89Å; L857-F867 HydrophobicContact CD1-CE1 4.4Å; L857-F867 HydrophobicContact CD1-CE2 4.34Å; L857-F867 HydrophobicContact CD1-CG 3.69Å; E863-F867 WeakPolarHBondContact O-CB 3.45Å; E863-F867 PolarHBondContact O-N 3.17Å; F864-F867 PolarHBondContact O-N 2.8Å; F867-F870 PolarHBondContact O-N 3.07Å; F867-L871 HydrophobicContact CD1-CD1 4.01Å; F867-L871 HydrophobicContact CE1-CD1 3.48Å; F867-L871 VanDerWaalsContact CE1-CD1 3.48Å; F867-L871 HydrophobicContact CE1-CG 4.22Å; F867-L871 HydrophobicContact CE2-CG 4.48Å; F867-L871 HydrophobicContact CZ-CD1 3.81Å; F867-L871 HydrophobicContact CZ-CD2 4.48Å; F867-L871 HydrophobicContact CZ-CG 4.17Å; F867-L871 WeakPolarHBondContact O-CG 3.45Å; F867-L871 PolarHBondContact O-N 2.87Å; F867-L963 HydrophobicContact CE1-CD2 4.2Å; F867-L963 HydrophobicContact CZ-CD2 4.24Å; F867-W967 HydrophobicContact CE2-CB 4.3Å; F867-W967 HydrophobicContact CZ-CB 4.11Å; F867-F971 HydrophobicContact CB-CE1 4.18Å; F867-F971 HydrophobicContact CB-CE2 4.17Å; F867-F971 HydrophobicContact CB-CZ 3.97Å; F867-F971 HydrophobicContact CD2-CB 3.81Å; F867-F971 AromaticContact CD2-CD1 3.81Å; F867-F971 HydrophobicContact CD2-CD1 3.81Å; F867-F971 AromaticContact CD2-CD2 3.97Å; F867-F971 HydrophobicContact CD2-CD2 3.97Å; F867-F971 HydrophobicContact CD2-CE1 4.28Å; F867-F971 HydrophobicContact CD2-CE2 4.43Å; F867-F971 AromaticContact CD2-CG 3.61Å; F867-F971 HydrophobicContact CD2-CG 3.61Å; F867-F971 HydrophobicContact CE2-CB 3.98Å; F867-F971 HydrophobicContact CE2-CG 4.29Å
868	R	77.9	Confident	73.3	Confident	82 Å²	82	71.3 Å²	71.3	31%	0.309	36%	0.362	S	S	.	.	H	α-helix	trans	-61.2	-49.9	171.7	-179.6	-173.3	179.1	97.2	23.5	111.6	F864 E865 H866 F870 L871 E872 L880 M881	F864-R868 PolarHBondContact O-N 3.32Å; E865-R868 WeakPolarHBondContact O-CB 3.42Å; E865-R868 PolarHBondContact O-N 2.68Å; H866-R868 VanDerWaalsContact C-N 3.33Å; R868-F870 VanDerWaalsContact C-N 3.29Å; R868-F870 PolarHBondContact O-N 3.49Å; R868-L871 PolarHBondContact O-N 2.67Å; R868-E872 IonicContact CZ-OE1 3.86Å; R868-E872 IonicContact NE-OE1 2.75Å; R868-E872 PolarHBondContact NE-OE1 3.06Å; R868-E872 IonicContact NE-OE2 2.81Å; R868-E872 IonicContact NH2-OE1 3.64Å; R868-E872 PolarHBondContact NH2-OE1 3.38Å; R868-E872 WeakPolarHBondContact O-CG 3.45Å; R868-E872 PolarHBondContact O-N 2.63Å; R868-L880 HydrophobicContact CB-CD2 3.99Å; R868-L880 HydrophobicContact CG-CD2 4.1Å; R868-M881 PolarHBondContact NH1-SD 3.28Å; R868-M881 VanDerWaalsContact NH1-SD 3.42Å; R868-M881 PolarHBondContact NH2-SD 2.79Å; R868-M881 VanDerWaalsContact NH2-SD 3.4Å
869	Q	78.1	Confident	73.6	Confident	105 Å²	105	68.2 Å²	68.2	49%	0.491	35%	0.346	S	S	.	.	H	α-helix	trans	-57.8	-42.6	177.8	-72.2	166.1	-13.2	0	0	111.4	E865 H866 E872 T873	E865-Q869 WeakPolarHBondContact O-CG 3.49Å; E865-Q869 PolarHBondContact O-N 2.87Å; H866-Q869 PolarHBondContact ND1-OE1 3.3Å; H866-Q869 PolarHBondContact O-N 2.9Å; Q869-E872 PolarHBondContact O-N 2.84Å; Q869-T873 PolarHBondContact O-N 2.96Å; Q869-T873 PolarHBondContact O-OG1 3.18Å; Q869-T873 VanDerWaalsContact O-OG1 3.05Å
870	F	81.3	Confident	74.3	Confident	26 Å²	26	61.7 Å²	61.7	11%	0.114	31%	0.311	C	S	.	.	H	α-helix	trans	-60.1	-46	174.4	178.7	-99.4	0	0	0	112.7	H866 F867 R868 E872 T873 H874 L970 F971	H866-F870 WeakPolarHBondContact O-CB 3.39Å; H866-F870 PolarHBondContact O-N 3.23Å; F867-F870 PolarHBondContact O-N 3.07Å; R868-F870 VanDerWaalsContact C-N 3.29Å; R868-F870 PolarHBondContact O-N 3.49Å; F870-E872 VanDerWaalsContact C-N 3.32Å; F870-E872 PolarHBondContact O-N 2.73Å; F870-T873 PolarHBondContact O-N 3.41Å; F870-H874 AromaticContact CD2-CD2 3.7Å; F870-H874 AromaticContact CD2-NE2 3.82Å; F870-H874 AromaticContact CE1-CD2 3.78Å; F870-H874 AromaticContact CE2-CD2 3.44Å; F870-H874 VanDerWaalsContact CE2-CD2 3.44Å; F870-H874 WeakPolarHBondContact CE2-CD2 3.21Å; F870-H874 AromaticContact CE2-NE2 3.27Å; F870-H874 VanDerWaalsContact CE2-NE2 3.27Å; F870-H874 WeakPolarHBondContact CE2-NE2 3.43Å; F870-H874 AromaticContact CG-CD2 3.98Å; F870-H874 AromaticContact CZ-CD2 3.48Å; F870-H874 VanDerWaalsContact CZ-CD2 3.48Å; F870-H874 WeakPolarHBondContact CZ-CD2 3.25Å; F870-H874 AromaticContact CZ-NE2 3.57Å; F870-H874 PolarHBondContact O-CD2 3.24Å; F870-H874 VanDerWaalsContact O-CD2 3.26Å; F870-H874 PolarHBondContact O-N 3.09Å; F870-L970 HydrophobicContact CE1-CB 4.27Å; F870-L970 HydrophobicContact CZ-CB 3.97Å; F870-L970 WeakPolarHBondContact CZ-O 3.32Å; F870-F971 HydrophobicContact CB-CD2 3.81Å; F870-F971 HydrophobicContact CB-CE2 4.14Å; F870-F971 HydrophobicContact CD1-CB 3.9Å; F870-F971 AromaticContact CD1-CD2 3.88Å; F870-F971 HydrophobicContact CD1-CD2 3.88Å; F870-F971 HydrophobicContact CD1-CG 4.36Å; F870-F971 HydrophobicContact CD2-CD2 4.11Å; F870-F971 HydrophobicContact CE1-CB 3.76Å; F870-F971 HydrophobicContact CE1-CD2 4.47Å; F870-F971 HydrophobicContact CG-CB 4.49Å; F870-F971 AromaticContact CG-CD2 3.69Å; F870-F971 HydrophobicContact CG-CD2 3.69Å; F870-F971 HydrophobicContact CG-CE2 4.47Å; F870-F971 HydrophobicContact CZ-CB 4.24Å
871	L	78.5	Confident	74.5	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-66.3	-31.1	175.2	-76	178.2	0	0	0	113.5	F867 R868 H874 S875 S876 S877 L880 L963 W967	F867-L871 HydrophobicContact CD1-CD1 4.01Å; F867-L871 HydrophobicContact CE1-CD1 3.48Å; F867-L871 VanDerWaalsContact CE1-CD1 3.48Å; F867-L871 HydrophobicContact CE1-CG 4.22Å; F867-L871 HydrophobicContact CE2-CG 4.48Å; F867-L871 HydrophobicContact CZ-CD1 3.81Å; F867-L871 HydrophobicContact CZ-CD2 4.48Å; F867-L871 HydrophobicContact CZ-CG 4.17Å; F867-L871 WeakPolarHBondContact O-CG 3.45Å; F867-L871 PolarHBondContact O-N 2.87Å; R868-L871 PolarHBondContact O-N 2.67Å; L871-H874 CarbonylContact O-C 3.57Å; L871-S875 PolarHBondContact O-N 3.03Å; L871-S876 CarbonylContact O-C 3.29Å; L871-S876 PolarHBondContact O-N 3.41Å; L871-S877 PolarHBondContact O-N 2.85Å; L871-S877 VanDerWaalsContact O-N 3.08Å; L871-L880 HydrophobicContact CD1-CB 3.8Å; L871-L880 HydrophobicContact CD1-CD2 4.18Å; L871-L880 HydrophobicContact CD1-CG 4.43Å; L871-L963 HydrophobicContact CD1-CD2 3.7Å; L871-W967 HydrophobicContact CD2-CB 3.72Å; L871-W967 HydrophobicContact CD2-CD2 3.76Å; L871-W967 HydrophobicContact CD2-CE3 4.24Å; L871-W967 HydrophobicContact CD2-CG 3.5Å; L871-W967 VanDerWaalsContact CD2-CG 3.5Å
872	E	75.8	Confident	74.8	Confident	89 Å²	89	53.7 Å²	53.7	42%	0.416	28%	0.276	S	S	.	.	H	α-helix	trans	-69.2	-41.7	173.4	-74.2	171	173.4	0	0	110.8	R868 Q869 F870 H874 S875 S877	R868-E872 IonicContact CZ-OE1 3.86Å; R868-E872 IonicContact NE-OE1 2.75Å; R868-E872 PolarHBondContact NE-OE1 3.06Å; R868-E872 IonicContact NE-OE2 2.81Å; R868-E872 IonicContact NH2-OE1 3.64Å; R868-E872 PolarHBondContact NH2-OE1 3.38Å; R868-E872 WeakPolarHBondContact O-CG 3.45Å; R868-E872 PolarHBondContact O-N 2.63Å; Q869-E872 PolarHBondContact O-N 2.84Å; F870-E872 VanDerWaalsContact C-N 3.32Å; F870-E872 PolarHBondContact O-N 2.73Å; E872-H874 PolarHBondContact O-N 3.28Å; E872-S875 PolarHBondContact O-N 3.1Å; E872-S877 VanDerWaalsContact CG-CB 3.46Å; E872-S877 WeakPolarHBondContact CG-OG 3.41Å; E872-S877 PolarHBondContact OE1-OG 3.35Å
873	T	72.6	Confident	75.2	Confident	119 Å²	119	49.4 Å²	49.4	73%	0.73	25%	0.251	S	S	*	.	H	α-helix	trans	-62	-39.3	171.1	-53.7	0	0	0	0	112.7	Q869 F870 S875	Q869-T873 PolarHBondContact O-N 2.96Å; Q869-T873 PolarHBondContact O-OG1 3.18Å; Q869-T873 VanDerWaalsContact O-OG1 3.05Å; F870-T873 PolarHBondContact O-N 3.41Å; T873-S875 VanDerWaalsContact C-N 3.29Å; T873-S875 PolarHBondContact O-N 3.46Å
874	H	65.8	Low	75.5	Confident	84 Å²	84	49.9 Å²	49.9	39%	0.389	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	25.1	177.7	-68.8	-65.6	0	0	0	114.2	F870 L871 E872 S876 W967	F870-H874 AromaticContact CD2-CD2 3.7Å; F870-H874 AromaticContact CD2-NE2 3.82Å; F870-H874 AromaticContact CE1-CD2 3.78Å; F870-H874 AromaticContact CE2-CD2 3.44Å; F870-H874 VanDerWaalsContact CE2-CD2 3.44Å; F870-H874 WeakPolarHBondContact CE2-CD2 3.21Å; F870-H874 AromaticContact CE2-NE2 3.27Å; F870-H874 VanDerWaalsContact CE2-NE2 3.27Å; F870-H874 WeakPolarHBondContact CE2-NE2 3.43Å; F870-H874 AromaticContact CG-CD2 3.98Å; F870-H874 AromaticContact CZ-CD2 3.48Å; F870-H874 VanDerWaalsContact CZ-CD2 3.48Å; F870-H874 WeakPolarHBondContact CZ-CD2 3.25Å; F870-H874 AromaticContact CZ-NE2 3.57Å; F870-H874 PolarHBondContact O-CD2 3.24Å; F870-H874 VanDerWaalsContact O-CD2 3.26Å; F870-H874 PolarHBondContact O-N 3.09Å; L871-H874 CarbonylContact O-C 3.57Å; E872-H874 PolarHBondContact O-N 3.28Å; H874-S876 WeakPolarHBondContact O-CB 3.28Å; H874-S876 PolarHBondContact O-N 3.28Å; H874-S876 PolarHBondContact O-OG 2.66Å; H874-W967 HydrophobicContact CB-CH2 4.33Å; H874-W967 HydrophobicContact CB-CZ3 3.87Å
875	S	60.8	Low	75.6	Confident	111 Å²	111	48.4 Å²	48.4	78%	0.776	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.2	13.5	175.6	70.5	0	0	0	0	116.9	L871 E872 T873	L871-S875 PolarHBondContact O-N 3.03Å; E872-S875 PolarHBondContact O-N 3.1Å; T873-S875 VanDerWaalsContact C-N 3.29Å; T873-S875 PolarHBondContact O-N 3.46Å
876	S	62.6	Low	75.8	Confident	17 Å²	17	43.5 Å²	43.5	12%	0.119	23%	0.227	C	C	.	.			trans	-114.9	13.2	-167.9	-58.8	0	0	0	0	113.6	L871 H874 M878 D879 W967	L871-S876 CarbonylContact O-C 3.29Å; L871-S876 PolarHBondContact O-N 3.41Å; H874-S876 WeakPolarHBondContact O-CB 3.28Å; H874-S876 PolarHBondContact O-N 3.28Å; H874-S876 PolarHBondContact O-OG 2.66Å; S876-M878 PolarHBondContact O-N 2.86Å; S876-D879 WeakPolarHBondContact O-CB 3.35Å; S876-D879 PolarHBondContact O-N 3.3Å; S876-W967 VanDerWaalsContact CB-CZ2 3.44Å; S876-W967 WeakPolarHBondContact OG-CH2 3.26Å; S876-W967 WeakPolarHBondContact OG-CZ2 3.46Å
877	S	73.3	Confident	75.8	Confident	20 Å²	20	42.2 Å²	42.2	14%	0.14	22%	0.221	C	C	.	.	H	α-helix	trans	-50.6	-24.7	168.4	-172.6	0	0	0	0	113.5	L871 E872 D879 L880 M881	L871-S877 PolarHBondContact O-N 2.85Å; L871-S877 VanDerWaalsContact O-N 3.08Å; E872-S877 VanDerWaalsContact CG-CB 3.46Å; E872-S877 WeakPolarHBondContact CG-OG 3.41Å; E872-S877 PolarHBondContact OE1-OG 3.35Å; S877-D879 VanDerWaalsContact C-N 3.28Å; S877-D879 PolarHBondContact O-N 3.4Å; S877-L880 PolarHBondContact O-N 3.17Å; S877-M881 WeakPolarHBondContact O-CB 3.44Å; S877-M881 VanDerWaalsContact O-CG 3.3Å; S877-M881 WeakPolarHBondContact O-CG 3.47Å; S877-M881 PolarHBondContact O-N 3.37Å
878	M	73	Confident	75.4	Confident	87 Å²	87	46.7 Å²	46.7	43%	0.429	24%	0.242	S	C	.	.	H	α-helix	trans	-59.7	-34.8	173.8	-159.5	68	68	0	0	113.2	S876 C882 Y911 Y916	S876-M878 PolarHBondContact O-N 2.86Å; M878-C882 VanDerWaalsContact O-CB 3.24Å; M878-C882 WeakPolarHBondContact O-CB 3.37Å; M878-C882 PolarHBondContact O-N 3.02Å; M878-Y911 HydrophobicContact CG-CD1 4.31Å; M878-Y911 HydrophobicContact CG-CE1 4.23Å; M878-Y911 HydrophobicContact SD-CD1 4.06Å; M878-Y911 HydrophobicContact SD-CE1 3.63Å; M878-Y916 HydrophobicContact CB-CD2 4.2Å; M878-Y916 HydrophobicContact CB-CE2 4.01Å; M878-Y916 HydrophobicContact CG-CD1 4.32Å; M878-Y916 HydrophobicContact CG-CD2 3.61Å; M878-Y916 HydrophobicContact CG-CE1 4.41Å; M878-Y916 HydrophobicContact CG-CE2 3.71Å; M878-Y916 HydrophobicContact CG-CG 3.95Å
879	D	75.6	Confident	75.5	Confident	2 Å²	2	43.1 Å²	43.1	1%	0.011	23%	0.229	C	C	.	.	H	α-helix	trans	-61.4	-51.2	174.4	-68.2	-30.9	0	0	0	109.9	S876 S877 C882 W883 Y916 V959 R962 L963 W967	S876-D879 WeakPolarHBondContact O-CB 3.35Å; S876-D879 PolarHBondContact O-N 3.3Å; S877-D879 VanDerWaalsContact C-N 3.28Å; S877-D879 PolarHBondContact O-N 3.4Å; D879-C882 PolarHBondContact O-N 3.31Å; D879-W883 PolarHBondContact O-N 3.18Å; D879-Y916 WeakPolarHBondContact CA-OH 3.45Å; D879-Y916 WeakPolarHBondContact OD1-CE2 3.41Å; D879-Y916 PolarHBondContact OD1-OH 2.86Å; D879-V959 HydrophobicContact CB-CG1 4.37Å; D879-V959 WeakPolarHBondContact O-CG1 3.11Å; D879-R962 IonicContact OD1-CZ 2.65Å; D879-R962 IonicContact OD1-NE 3.7Å; D879-R962 IonicContact OD1-NH1 2.58Å; D879-R962 PolarHBondContact OD1-NH1 2.87Å; D879-R962 WeakPolarHBondContact OD2-CD 3.28Å; D879-R962 IonicContact OD2-CZ 3.75Å; D879-R962 IonicContact OD2-NE 3.69Å; D879-R962 PolarHBondContact OD2-NE 3.07Å; D879-R962 IonicContact OD2-NH1 2.65Å; D879-R962 PolarHBondContact OD2-NH1 3.19Å; D879-L963 HydrophobicContact CB-CD2 3.89Å; D879-L963 HydrophobicContact CB-CG 4.26Å; D879-W967 PolarHBondContact OD2-NE1 2.95Å
880	L	79.8	Confident	75.3	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-65.7	-45	-179.6	-170.5	66.5	0	0	0	112.4	F854 F864 R868 L871 S877 C882 W883 T884 L963	F854-L880 HydrophobicContact CE2-CD1 4.18Å; F854-L880 HydrophobicContact CZ-CD1 3.88Å; F864-L880 HydrophobicContact CE2-CD1 3.95Å; F864-L880 HydrophobicContact CZ-CD1 3.88Å; F864-L880 HydrophobicContact CZ-CD2 4.09Å; F864-L880 HydrophobicContact CZ-CG 4.35Å; R868-L880 HydrophobicContact CB-CD2 3.99Å; R868-L880 HydrophobicContact CG-CD2 4.1Å; L871-L880 HydrophobicContact CD1-CB 3.8Å; L871-L880 HydrophobicContact CD1-CD2 4.18Å; L871-L880 HydrophobicContact CD1-CG 4.43Å; S877-L880 PolarHBondContact O-N 3.17Å; L880-C882 VanDerWaalsContact C-N 3.3Å; L880-C882 PolarHBondContact O-N 2.94Å; L880-W883 PolarHBondContact O-N 2.97Å; L880-T884 PolarHBondContact O-N 3.42Å; L880-T884 PolarHBondContact O-OG1 2.89Å; L880-L963 HydrophobicContact CD1-CD1 4.34Å
881	M	76.9	Confident	74.9	Confident	42 Å²	42	52.1 Å²	52.1	21%	0.207	26%	0.258	C	S	.	.	H	α-helix	trans	-63.1	-35.8	179.8	-71.7	-61.4	-52.1	0	0	112.2	R868 S877 T884 D885 Y911	R868-M881 PolarHBondContact NH1-SD 3.28Å; R868-M881 VanDerWaalsContact NH1-SD 3.42Å; R868-M881 PolarHBondContact NH2-SD 2.79Å; R868-M881 VanDerWaalsContact NH2-SD 3.4Å; S877-M881 WeakPolarHBondContact O-CB 3.44Å; S877-M881 VanDerWaalsContact O-CG 3.3Å; S877-M881 WeakPolarHBondContact O-CG 3.47Å; S877-M881 PolarHBondContact O-N 3.37Å; M881-T884 WeakPolarHBondContact CA-OG1 3.5Å; M881-T884 PolarHBondContact O-N 3.3Å; M881-T884 PolarHBondContact O-OG1 3.45Å; M881-T884 VanDerWaalsContact O-OG1 3.08Å; M881-D885 WeakPolarHBondContact O-CB 3.41Å; M881-D885 VanDerWaalsContact O-CG 3.24Å; M881-D885 PolarHBondContact O-N 2.78Å; M881-Y911 VanDerWaalsContact C-OH 3.27Å; M881-Y911 WeakPolarHBondContact CB-OH 3.41Å; M881-Y911 PolarHBondContact O-OH 3.26Å
882	C	79.6	Confident	74.6	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.007	26%	0.264	C	S	.	.	H	α-helix	trans	-62.2	-47.6	173.4	-172.8	0	0	0	0	111.3	M878 D879 L880 D885 I886 Y911 Y916	M878-C882 VanDerWaalsContact O-CB 3.24Å; M878-C882 WeakPolarHBondContact O-CB 3.37Å; M878-C882 PolarHBondContact O-N 3.02Å; D879-C882 PolarHBondContact O-N 3.31Å; L880-C882 VanDerWaalsContact C-N 3.3Å; L880-C882 PolarHBondContact O-N 2.94Å; C882-D885 PolarHBondContact O-N 2.74Å; C882-I886 WeakPolarHBondContact O-CG1 3.42Å; C882-I886 PolarHBondContact O-N 3.05Å; C882-Y911 HydrophobicContact CB-CD1 3.6Å; C882-Y911 HydrophobicContact CB-CD2 4.41Å; C882-Y911 HydrophobicContact CB-CE1 3.68Å; C882-Y911 HydrophobicContact CB-CE2 4.48Å; C882-Y911 HydrophobicContact CB-CG 4Å; C882-Y916 HydrophobicContact CB-CE1 3.94Å; C882-Y916 WeakPolarHBondContact CB-OH 3.5Å
883	W	82.8	Confident	73.7	Confident	24 Å²	24	53.5 Å²	53.5	9%	0.091	27%	0.271	C	S	.	.	H	α-helix	trans	-62.7	-43.6	177.3	-172	96.8	0	0	0	112	F854 L858 D879 L880 E887 Q956 V959 L963	F854-W883 HydrophobicContact CE1-CD2 4.24Å; F854-W883 HydrophobicContact CE1-CE3 4.49Å; F854-W883 HydrophobicContact CE1-CH2 4.39Å; F854-W883 HydrophobicContact CE1-CZ2 4.1Å; L858-W883 HydrophobicContact CD1-CH2 3.59Å; L858-W883 HydrophobicContact CD1-CZ2 4.02Å; L858-W883 HydrophobicContact CD1-CZ3 4.34Å; L858-W883 HydrophobicContact CD2-CH2 3.96Å; L858-W883 HydrophobicContact CD2-CZ3 3.93Å; L858-W883 HydrophobicContact CG-CH2 4.46Å; D879-W883 PolarHBondContact O-N 3.18Å; L880-W883 PolarHBondContact O-N 2.97Å; W883-E887 HydrophobicContact CE3-CB 4.46Å; W883-E887 HydrophobicContact CH2-CG 4.28Å; W883-E887 HydrophobicContact CZ3-CB 4.36Å; W883-E887 HydrophobicContact CZ3-CG 4.3Å; W883-E887 VanDerWaalsContact O-CB 3.31Å; W883-E887 WeakPolarHBondContact O-CB 3.39Å; W883-E887 PolarHBondContact O-N 2.89Å; W883-Q956 HydrophobicContact CG-CG 4.36Å; W883-V959 HydrophobicContact CB-CG1 3.98Å; W883-L963 HydrophobicContact CB-CD1 4.41Å
884	T	78.5	Confident	73.1	Confident	29 Å²	29	56.9 Å²	56.9	18%	0.178	27%	0.272	C	S	.	.	H	α-helix	trans	-68.4	-37	179.8	55.6	0	0	0	0	113.4	L880 M881 E887 Q888	L880-T884 PolarHBondContact O-N 3.42Å; L880-T884 PolarHBondContact O-OG1 2.89Å; M881-T884 WeakPolarHBondContact CA-OG1 3.5Å; M881-T884 PolarHBondContact O-N 3.3Å; M881-T884 PolarHBondContact O-OG1 3.45Å; M881-T884 VanDerWaalsContact O-OG1 3.08Å; T884-E887 PolarHBondContact O-N 2.7Å; T884-Q888 WeakPolarHBondContact O-CG 3.18Å; T884-Q888 PolarHBondContact O-N 3.04Å
885	D	80.1	Confident	72.6	Confident	12 Å²	12	63.8 Å²	63.8	6%	0.064	29%	0.294	C	S	.	.	H	α-helix	trans	-70	-39.2	179.9	-71.3	-10.6	0	0	0	110.6	M881 C882 Q888 L889 Y906 I907 K910 Y911	M881-D885 WeakPolarHBondContact O-CB 3.41Å; M881-D885 VanDerWaalsContact O-CG 3.24Å; M881-D885 PolarHBondContact O-N 2.78Å; C882-D885 PolarHBondContact O-N 2.74Å; D885-Q888 PolarHBondContact O-N 3.08Å; D885-L889 PolarHBondContact O-N 3.3Å; D885-Y906 WeakPolarHBondContact OD2-CE1 3.45Å; D885-Y906 PolarHBondContact OD2-OH 2.71Å; D885-I907 HydrophobicContact CB-CD1 4.19Å; D885-I907 HydrophobicContact CB-CG1 3.94Å; D885-I907 WeakPolarHBondContact O-CD1 3.29Å; D885-K910 IonicContact OD2-NZ 3.09Å; D885-K910 PolarHBondContact OD2-NZ 3.07Å; D885-Y911 HydrophobicContact CB-CE2 3.98Å; D885-Y911 WeakPolarHBondContact OD2-CE2 3.42Å; D885-Y911 PolarHBondContact OD2-OH 3.06Å
886	I	79.9	Confident	73	Confident	1 Å²	1	62 Å²	62	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-63.6	-43.7	172.4	-66.2	167.6	0	0	0	111	C882 Q888 L889 R890 I907 L952 I955 Q956	C882-I886 WeakPolarHBondContact O-CG1 3.42Å; C882-I886 PolarHBondContact O-N 3.05Å; I886-Q888 VanDerWaalsContact C-N 3.34Å; I886-Q888 PolarHBondContact O-N 3.08Å; I886-L889 WeakPolarHBondContact O-CB 3.36Å; I886-L889 PolarHBondContact O-N 3.01Å; I886-L889 VanDerWaalsContact O-N 3.1Å; I886-R890 WeakPolarHBondContact O-CG 3.33Å; I886-R890 PolarHBondContact O-N 3.06Å; I886-I907 HydrophobicContact CG1-CG2 4.07Å; I886-L952 HydrophobicContact CG1-CD2 4.34Å; I886-L952 HydrophobicContact CG2-CB 4.46Å; I886-I955 HydrophobicContact CD1-CB 4.33Å; I886-I955 HydrophobicContact CD1-CG2 3.74Å; I886-Q956 HydrophobicContact CG2-CB 4.23Å; I886-Q956 HydrophobicContact CG2-CG 4.39Å
887	E	77.6	Confident	73.2	Confident	36 Å²	36	68.5 Å²	68.5	17%	0.168	30%	0.298	C	S	.	.	H	α-helix	trans	-65.8	-35.5	178.6	-176.8	56.3	-156.9	0	0	112.2	W883 T884 R890 R891 Q956	W883-E887 HydrophobicContact CE3-CB 4.46Å; W883-E887 HydrophobicContact CH2-CG 4.28Å; W883-E887 HydrophobicContact CZ3-CB 4.36Å; W883-E887 HydrophobicContact CZ3-CG 4.3Å; W883-E887 VanDerWaalsContact O-CB 3.31Å; W883-E887 WeakPolarHBondContact O-CB 3.39Å; W883-E887 PolarHBondContact O-N 2.89Å; T884-E887 PolarHBondContact O-N 2.7Å; E887-R890 PolarHBondContact O-N 3.22Å; E887-R891 VanDerWaalsContact CG-NH2 3.35Å; E887-R891 WeakPolarHBondContact O-CG 3.42Å; E887-R891 PolarHBondContact O-N 2.99Å; E887-R891 IonicContact OE1-CZ 2.73Å; E887-R891 IonicContact OE1-NE 2.98Å; E887-R891 PolarHBondContact OE1-NE 2.75Å; E887-R891 IonicContact OE1-NH2 2.68Å; E887-R891 PolarHBondContact OE1-NH2 2.64Å; E887-Q956 PolarHBondContact OE2-NE2 2.9Å; E887-Q956 VanDerWaalsContact OE2-NE2 3.09Å
888	Q	74	Confident	73.1	Confident	93 Å²	93	73.7 Å²	73.7	44%	0.435	32%	0.324	S	S	.	.	H	α-helix	trans	-64.1	-39.4	168.8	-76.2	-175.1	34.6	0	0	112.7	T884 D885 I886 R890 R891 I892	T884-Q888 WeakPolarHBondContact O-CG 3.18Å; T884-Q888 PolarHBondContact O-N 3.04Å; D885-Q888 PolarHBondContact O-N 3.08Å; I886-Q888 VanDerWaalsContact C-N 3.34Å; I886-Q888 PolarHBondContact O-N 3.08Å; Q888-R890 VanDerWaalsContact C-N 3.29Å; Q888-R890 PolarHBondContact O-N 3.32Å; Q888-R891 PolarHBondContact O-N 3.16Å; Q888-I892 PolarHBondContact O-N 3.46Å
889	L	78.2	Confident	73	Confident	7 Å²	7	75.1 Å²	75.1	4%	0.037	33%	0.33	C	S	.	.	H	α-helix	trans	-62.3	-37.6	176.9	-179.2	69	0	0	0	111.6	D885 I886 R891 R900 K903 I907 L952	D885-L889 PolarHBondContact O-N 3.3Å; I886-L889 WeakPolarHBondContact O-CB 3.36Å; I886-L889 PolarHBondContact O-N 3.01Å; I886-L889 VanDerWaalsContact O-N 3.1Å; L889-R891 VanDerWaalsContact C-N 3.3Å; L889-R891 PolarHBondContact O-N 3.09Å; L889-R900 HydrophobicContact CD1-CB 4.41Å; L889-R900 HydrophobicContact CD1-CG 3.65Å; L889-R900 VanDerWaalsContact CD1-O 3.23Å; L889-R900 WeakPolarHBondContact CD1-O 3.1Å; L889-K903 HydrophobicContact CD1-CB 3.84Å; L889-I907 HydrophobicContact CB-CD1 3.85Å; L889-I907 HydrophobicContact CD2-CD1 3.91Å; L889-I907 HydrophobicContact CG-CD1 4.38Å; L889-L952 HydrophobicContact CD2-CD1 3.7Å; L889-L952 HydrophobicContact CD2-CD2 4.36Å
890	R	74.8	Confident	72.9	Confident	141 Å²	141	77.9 Å²	77.9	53%	0.532	34%	0.34	S	S	.	.	H	α-helix	trans	-68.4	-24.8	176.5	-66.5	180	74.6	164.5	1.9	113.6	I886 E887 Q888	I886-R890 WeakPolarHBondContact O-CG 3.33Å; I886-R890 PolarHBondContact O-N 3.06Å; E887-R890 PolarHBondContact O-N 3.22Å; Q888-R890 VanDerWaalsContact C-N 3.29Å; Q888-R890 PolarHBondContact O-N 3.32Å
891	R	71.9	Confident	72.5	Confident	180 Å²	180	80.6 Å²	80.6	68%	0.679	35%	0.353	S	S	*	.	H	α-helix	trans	-87.7	-8.8	-178.5	-68.9	170.6	-170.1	-165.3	2.2	114.3	E887 Q888 L889	E887-R891 VanDerWaalsContact CG-NH2 3.35Å; E887-R891 WeakPolarHBondContact O-CG 3.42Å; E887-R891 PolarHBondContact O-N 2.99Å; E887-R891 IonicContact OE1-CZ 2.73Å; E887-R891 IonicContact OE1-NE 2.98Å; E887-R891 PolarHBondContact OE1-NE 2.75Å; E887-R891 IonicContact OE1-NH2 2.68Å; E887-R891 PolarHBondContact OE1-NH2 2.64Å; Q888-R891 PolarHBondContact O-N 3.16Å; L889-R891 VanDerWaalsContact C-N 3.3Å; L889-R891 PolarHBondContact O-N 3.09Å
892	I	73.8	Confident	72.5	Confident	26 Å²	26	81.4 Å²	81.4	13%	0.133	37%	0.366	C	S	.	.	S	Bend	trans	-78.2	123.5	176.8	-68.4	169.1	0	0	0	110.1	Q888 D896 R900 K903	Q888-I892 PolarHBondContact O-N 3.46Å; I892-D896 HydrophobicContact CG2-CB 4.1Å; I892-R900 HydrophobicContact CG2-CB 4.22Å; I892-K903 HydrophobicContact CD1-CD 3.71Å; I892-K903 HydrophobicContact CD1-CG 4.39Å
893	T	56	Low	72.3	Confident	92 Å²	92	84.7 Å²	84.7	56%	0.564	38%	0.38	S	S	*	.			trans	-54.3	140.5	179.1	-29.7	0	0	0	0	111.4	R895 D896	T893-R895 PolarHBondContact O-N 3.23Å; T893-D896 PolarHBondContact O-N 3.39Å; T893-D896 VanDerWaalsContact O-N 3.11Å
894	Y	60.8	Low	71.9	Confident	190 Å²	190	83.9 Å²	83.9	75%	0.745	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-8	-179.3	-78	-89.1	0	0	0	115.4	R900	Y894-R900 VanDerWaalsContact CZ-NH1 3.27Å; Y894-R900 PolarHBondContact OH-NH2 3.12Å
895	R	54.5	Low	71.8	Confident	228 Å²	228	85.5 Å²	85.5	86%	0.86	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-34.6	174.4	-67.4	-175.7	176	-176.1	-2.2	112.7	T893 R897	T893-R895 PolarHBondContact O-N 3.23Å; R895-R897 PolarHBondContact O-N 2.9Å
896	D	69.1	Low	71.8	Confident	73 Å²	73	90.1 Å²	90.1	39%	0.39	40%	0.403	S	S	.	.			trans	-88	54.8	-175.3	-62.4	-67.5	0	0	0	112.1	I892 T893 N898 Q899 R900	I892-D896 HydrophobicContact CG2-CB 4.1Å; T893-D896 PolarHBondContact O-N 3.39Å; T893-D896 VanDerWaalsContact O-N 3.11Å; D896-N898 VanDerWaalsContact C-N 3.34Å; D896-N898 PolarHBondContact O-N 3.15Å; D896-Q899 HydrophobicContact CB-CB 4.28Å; D896-Q899 HydrophobicContact CB-CG 4.33Å; D896-Q899 PolarHBondContact O-N 3.19Å; D896-Q899 VanDerWaalsContact O-N 3.08Å; D896-R900 PolarHBondContact O-N 2.9Å; D896-R900 VanDerWaalsContact O-N 3.11Å
897	R	66.4	Low	71.7	Confident	155 Å²	155	90.3 Å²	90.3	59%	0.585	40%	0.403	S	S	*	.	H	α-helix	trans	-48.9	-51.8	-173.3	-178.4	172.5	177.8	162.3	6.5	112.5	R895 Q899 R900 E901	R895-R897 PolarHBondContact O-N 2.9Å; R897-Q899 VanDerWaalsContact C-N 3.32Å; R897-Q899 PolarHBondContact O-N 3.4Å; R897-R900 WeakPolarHBondContact O-CB 3.44Å; R897-R900 PolarHBondContact O-N 3.44Å; R897-R900 VanDerWaalsContact O-N 3.11Å; R897-E901 HydrophobicContact CG-CG 4.46Å; R897-E901 WeakPolarHBondContact CG-OE1 3.44Å; R897-E901 IonicContact CZ-OE1 2.74Å; R897-E901 VanDerWaalsContact CZ-OE1 3.3Å; R897-E901 IonicContact NE-OE1 3.74Å; R897-E901 PolarHBondContact NE-OE1 3.42Å; R897-E901 IonicContact NE-OE2 3.38Å; R897-E901 IonicContact NH2-OE1 2.87Å; R897-E901 PolarHBondContact NH2-OE1 3.1Å; R897-E901 PolarHBondContact O-N 3.41Å
898	N	71.3	Confident	71.4	Confident	129 Å²	129	89.9 Å²	89.9	69%	0.69	40%	0.401	S	S	*	.	H	α-helix	trans	-62.3	-35.6	-177.2	-53.4	19	0	0	0	112.6	D896 A902	D896-N898 VanDerWaalsContact C-N 3.34Å; D896-N898 PolarHBondContact O-N 3.15Å; N898-A902 VanDerWaalsContact O-CB 3.29Å; N898-A902 WeakPolarHBondContact O-CB 3.29Å; N898-A902 PolarHBondContact O-N 3Å
899	Q	72.3	Confident	71.6	Confident	116 Å²	116	90.5 Å²	90.5	54%	0.542	41%	0.407	S	S	.	.	H	α-helix	trans	-71.6	-36.9	176.8	-61.7	-169.5	24.7	0	0	111.7	D896 R897 K903	D896-Q899 HydrophobicContact CB-CB 4.28Å; D896-Q899 HydrophobicContact CB-CG 4.33Å; D896-Q899 PolarHBondContact O-N 3.19Å; D896-Q899 VanDerWaalsContact O-N 3.08Å; R897-Q899 VanDerWaalsContact C-N 3.32Å; R897-Q899 PolarHBondContact O-N 3.4Å; Q899-K903 PolarHBondContact O-N 3Å
900	R	73.1	Confident	71.6	Confident	60 Å²	60	93.3 Å²	93.3	23%	0.226	42%	0.419	C	S	.	.	H	α-helix	trans	-68.3	-42.1	176.4	-173.2	174.1	173.5	155.7	-13.8	111.4	L889 I892 Y894 D896 R897 K903 S904	L889-R900 HydrophobicContact CD1-CB 4.41Å; L889-R900 HydrophobicContact CD1-CG 3.65Å; L889-R900 VanDerWaalsContact CD1-O 3.23Å; L889-R900 WeakPolarHBondContact CD1-O 3.1Å; I892-R900 HydrophobicContact CG2-CB 4.22Å; Y894-R900 VanDerWaalsContact CZ-NH1 3.27Å; Y894-R900 PolarHBondContact OH-NH2 3.12Å; D896-R900 PolarHBondContact O-N 2.9Å; D896-R900 VanDerWaalsContact O-N 3.11Å; R897-R900 WeakPolarHBondContact O-CB 3.44Å; R897-R900 PolarHBondContact O-N 3.44Å; R897-R900 VanDerWaalsContact O-N 3.11Å; R900-K903 PolarHBondContact O-N 2.98Å; R900-S904 WeakPolarHBondContact O-CB 3.42Å; R900-S904 PolarHBondContact O-N 3.39Å
901	E	70.4	Confident	71.7	Confident	57 Å²	57	86.8 Å²	86.8	27%	0.266	40%	0.395	S	S	.	.	H	α-helix	trans	-64.1	-47.5	174.3	-73	166.5	165.6	0	0	110.9	R897 K903 S904 I905	R897-E901 HydrophobicContact CG-CG 4.46Å; R897-E901 WeakPolarHBondContact CG-OE1 3.44Å; R897-E901 IonicContact CZ-OE1 2.74Å; R897-E901 VanDerWaalsContact CZ-OE1 3.3Å; R897-E901 IonicContact NE-OE1 3.74Å; R897-E901 PolarHBondContact NE-OE1 3.42Å; R897-E901 IonicContact NE-OE2 3.38Å; R897-E901 IonicContact NH2-OE1 2.87Å; R897-E901 PolarHBondContact NH2-OE1 3.1Å; R897-E901 PolarHBondContact O-N 3.41Å; E901-K903 PolarHBondContact O-N 3.09Å; E901-S904 WeakPolarHBondContact O-CB 3.13Å; E901-S904 PolarHBondContact O-N 3.3Å; E901-S904 VanDerWaalsContact O-N 3.11Å; E901-I905 WeakPolarHBondContact O-CG1 3.09Å; E901-I905 PolarHBondContact O-N 3.42Å
902	A	76.6	Confident	71.7	Confident	59 Å²	59	79.5 Å²	79.5	49%	0.488	37%	0.369	S	S	.	.	H	α-helix	trans	-58.5	-43.5	175.1	0	0	0	0	0	113.3	N898 I905 Y906	N898-A902 VanDerWaalsContact O-CB 3.29Å; N898-A902 WeakPolarHBondContact O-CB 3.29Å; N898-A902 PolarHBondContact O-N 3Å; A902-I905 PolarHBondContact O-N 2.82Å; A902-Y906 PolarHBondContact O-N 3.49Å
903	K	76.6	Confident	71.7	Confident	71 Å²	71	80.7 Å²	80.7	31%	0.309	38%	0.376	S	S	.	.	H	α-helix	trans	-68.3	-34.1	174.4	-77.5	-154.9	-173.6	-177.6	0	112.9	L889 I892 Q899 R900 E901 Y906 I907	L889-K903 HydrophobicContact CD1-CB 3.84Å; I892-K903 HydrophobicContact CD1-CD 3.71Å; I892-K903 HydrophobicContact CD1-CG 4.39Å; Q899-K903 PolarHBondContact O-N 3Å; R900-K903 PolarHBondContact O-N 2.98Å; E901-K903 PolarHBondContact O-N 3.09Å; K903-Y906 PolarHBondContact O-N 3.36Å; K903-I907 WeakPolarHBondContact O-CB 3.37Å; K903-I907 WeakPolarHBondContact O-CD1 3.39Å; K903-I907 VanDerWaalsContact O-CG1 3.3Å; K903-I907 WeakPolarHBondContact O-CG1 3.33Å; K903-I907 PolarHBondContact O-N 3.15Å
904	S	74.5	Confident	72.1	Confident	7 Å²	7	84.2 Å²	84.2	5%	0.049	38%	0.383	C	S	.	.	H	α-helix	trans	-60.8	-46.6	173.5	-172.8	0	0	0	0	111.2	R900 E901 I907 K908 L947	R900-S904 WeakPolarHBondContact O-CB 3.42Å; R900-S904 PolarHBondContact O-N 3.39Å; E901-S904 WeakPolarHBondContact O-CB 3.13Å; E901-S904 PolarHBondContact O-N 3.3Å; E901-S904 VanDerWaalsContact O-N 3.11Å; S904-I907 PolarHBondContact O-N 2.87Å; S904-K908 WeakPolarHBondContact O-CB 3.15Å; S904-K908 PolarHBondContact O-N 2.84Å; S904-L947 PolarHBondContact OG-N 3.47Å
905	I	75.4	Confident	72.3	Confident	62 Å²	62	84 Å²	84	32%	0.318	39%	0.386	S	S	.	.	H	α-helix	trans	-63.6	-41.7	176.8	-65.8	164.1	0	0	0	111.4	E901 A902 K908 N909	E901-I905 WeakPolarHBondContact O-CG1 3.09Å; E901-I905 PolarHBondContact O-N 3.42Å; A902-I905 PolarHBondContact O-N 2.82Å; I905-K908 WeakPolarHBondContact O-CB 3.13Å; I905-K908 PolarHBondContact O-N 3.01Å; I905-N909 WeakPolarHBondContact O-CB 3.4Å; I905-N909 VanDerWaalsContact O-CG 3.23Å; I905-N909 PolarHBondContact O-N 3.38Å; I905-N909 PolarHBondContact O-ND2 2.73Å
906	Y	81.3	Confident	73.3	Confident	110 Å²	110	74.1 Å²	74.1	43%	0.431	35%	0.349	S	S	.	.	H	α-helix	trans	-61.5	-45.9	174.2	162.7	-98	0	0	0	112.5	D885 A902 K903 N909 K910	D885-Y906 WeakPolarHBondContact OD2-CE1 3.45Å; D885-Y906 PolarHBondContact OD2-OH 2.71Å; A902-Y906 PolarHBondContact O-N 3.49Å; K903-Y906 PolarHBondContact O-N 3.36Å; Y906-N909 PolarHBondContact O-N 2.94Å; Y906-K910 HydrophobicContact CE1-CD 4.27Å; Y906-K910 HydrophobicContact CE2-CD 3.9Å; Y906-K910 VanDerWaalsContact O-CB 3.22Å; Y906-K910 WeakPolarHBondContact O-CB 3.19Å; Y906-K910 PolarHBondContact O-N 2.94Å; Y906-K910 WeakPolarHBondContact OH-CD 3.38Å; Y906-K910 PolarHBondContact OH-NZ 2.91Å
907	I	76.8	Confident	73.6	Confident	4 Å²	4	70.7 Å²	70.7	2%	0.021	33%	0.33	C	S	.	.	H	α-helix	trans	-62.5	-45	177.3	-73.5	161.9	0	0	0	110.9	D885 I886 L889 K903 S904 K910 Y911 L947 L952	D885-I907 HydrophobicContact CB-CD1 4.19Å; D885-I907 HydrophobicContact CB-CG1 3.94Å; D885-I907 WeakPolarHBondContact O-CD1 3.29Å; I886-I907 HydrophobicContact CG1-CG2 4.07Å; L889-I907 HydrophobicContact CB-CD1 3.85Å; L889-I907 HydrophobicContact CD2-CD1 3.91Å; L889-I907 HydrophobicContact CG-CD1 4.38Å; K903-I907 WeakPolarHBondContact O-CB 3.37Å; K903-I907 WeakPolarHBondContact O-CD1 3.39Å; K903-I907 VanDerWaalsContact O-CG1 3.3Å; K903-I907 WeakPolarHBondContact O-CG1 3.33Å; K903-I907 PolarHBondContact O-N 3.15Å; S904-I907 PolarHBondContact O-N 2.87Å; I907-K910 PolarHBondContact O-N 3Å; I907-Y911 HydrophobicContact CB-CD2 4.39Å; I907-Y911 HydrophobicContact CG2-CD2 4.07Å; I907-Y911 WeakPolarHBondContact O-CB 3.24Å; I907-Y911 WeakPolarHBondContact O-CD2 3.49Å; I907-Y911 PolarHBondContact O-N 2.88Å; I907-L947 HydrophobicContact CG2-CD1 4.45Å; I907-L952 HydrophobicContact CG2-CD2 4.46Å
908	K	72.6	Confident	73.9	Confident	27 Å²	27	64.6 Å²	64.6	12%	0.117	31%	0.308	C	S	.	.	H	α-helix	trans	-53.7	-56.4	174	174.5	177.1	165.6	-179.7	0	111.2	S904 I905 K910 L912 I942 L943 H944 L947	S904-K908 WeakPolarHBondContact O-CB 3.15Å; S904-K908 PolarHBondContact O-N 2.84Å; I905-K908 WeakPolarHBondContact O-CB 3.13Å; I905-K908 PolarHBondContact O-N 3.01Å; K908-K910 PolarHBondContact O-N 2.95Å; K908-L912 WeakPolarHBondContact O-CA 3.43Å; K908-L912 WeakPolarHBondContact O-CB 3.14Å; K908-L912 PolarHBondContact O-N 3.39Å; K908-I942 WeakPolarHBondContact CE-O 3.28Å; K908-I942 PolarHBondContact NZ-O 3.18Å; K908-I942 VanDerWaalsContact NZ-O 3.1Å; K908-L943 PolarHBondContact NZ-O 3.26Å; K908-H944 PolarHBondContact NZ-O 3.2Å; K908-L947 HydrophobicContact CB-CD1 3.94Å; K908-L947 HydrophobicContact CB-CG 4.32Å
909	N	76.3	Confident	73.9	Confident	107 Å²	107	58.8 Å²	58.8	57%	0.572	28%	0.279	S	S	*	.	H	α-helix	trans	-65.9	-37.9	-175.5	-66.6	-12.9	0	0	0	112.6	I905 Y906 N913	I905-N909 WeakPolarHBondContact O-CB 3.4Å; I905-N909 VanDerWaalsContact O-CG 3.23Å; I905-N909 PolarHBondContact O-N 3.38Å; I905-N909 PolarHBondContact O-ND2 2.73Å; Y906-N909 PolarHBondContact O-N 2.94Å; N909-N913 PolarHBondContact O-ND2 2.72Å
910	K	79.6	Confident	73.3	Confident	66 Å²	66	59.5 Å²	59.5	29%	0.287	29%	0.293	S	S	.	.	H	α-helix	trans	-77.4	-36.2	-176.6	-171.4	175.5	174.1	-165.1	0	113.7	D885 Y906 I907 K908 N913	D885-K910 IonicContact OD2-NZ 3.09Å; D885-K910 PolarHBondContact OD2-NZ 3.07Å; Y906-K910 HydrophobicContact CE1-CD 4.27Å; Y906-K910 HydrophobicContact CE2-CD 3.9Å; Y906-K910 VanDerWaalsContact O-CB 3.22Å; Y906-K910 WeakPolarHBondContact O-CB 3.19Å; Y906-K910 PolarHBondContact O-N 2.94Å; Y906-K910 WeakPolarHBondContact OH-CD 3.38Å; Y906-K910 PolarHBondContact OH-NZ 2.91Å; I907-K910 PolarHBondContact O-N 3Å; K908-K910 PolarHBondContact O-N 2.95Å; K910-N913 PolarHBondContact O-ND2 3.22Å
911	Y	75.8	Confident	72.8	Confident	3 Å²	3	62.3 Å²	62.3	1%	0.012	31%	0.313	C	S	.	.	H	α-helix	trans	-115.3	-36.3	-171.4	-55.8	-68.8	0	0	0	114.5	M878 M881 C882 D885 I907 N913 Y916 F917	M878-Y911 HydrophobicContact CG-CD1 4.31Å; M878-Y911 HydrophobicContact CG-CE1 4.23Å; M878-Y911 HydrophobicContact SD-CD1 4.06Å; M878-Y911 HydrophobicContact SD-CE1 3.63Å; M881-Y911 VanDerWaalsContact C-OH 3.27Å; M881-Y911 WeakPolarHBondContact CB-OH 3.41Å; M881-Y911 PolarHBondContact O-OH 3.26Å; C882-Y911 HydrophobicContact CB-CD1 3.6Å; C882-Y911 HydrophobicContact CB-CD2 4.41Å; C882-Y911 HydrophobicContact CB-CE1 3.68Å; C882-Y911 HydrophobicContact CB-CE2 4.48Å; C882-Y911 HydrophobicContact CB-CG 4Å; D885-Y911 HydrophobicContact CB-CE2 3.98Å; D885-Y911 WeakPolarHBondContact OD2-CE2 3.42Å; D885-Y911 PolarHBondContact OD2-OH 3.06Å; I907-Y911 HydrophobicContact CB-CD2 4.39Å; I907-Y911 HydrophobicContact CG2-CD2 4.07Å; I907-Y911 WeakPolarHBondContact O-CB 3.24Å; I907-Y911 WeakPolarHBondContact O-CD2 3.49Å; I907-Y911 PolarHBondContact O-N 2.88Å; Y911-N913 PolarHBondContact O-N 2.77Å; Y911-Y916 AromaticContact CD1-CD1 3.9Å; Y911-Y916 HydrophobicContact CD1-CD1 3.9Å; Y911-Y916 AromaticContact CD1-CE1 3.77Å; Y911-Y916 HydrophobicContact CD1-CE1 3.77Å; Y911-Y916 HydrophobicContact CG-CD1 4.39Å; Y911-Y916 HydrophobicContact CG-CE1 4.29Å; Y911-Y916 WeakPolarHBondContact O-CD1 3.34Å; Y911-F917 WeakPolarHBondContact O-CB 3.5Å; Y911-F917 PolarHBondContact O-N 2.9Å
912	L	73.1	Confident	72.9	Confident	28 Å²	28	60.4 Å²	60.4	15%	0.147	31%	0.306	C	S	.	.	S	Bend	trans	-84.4	49.9	-179	-64.6	179.1	0	0	0	112.7	K908 F917 F918 L947 I955	K908-L912 WeakPolarHBondContact O-CA 3.43Å; K908-L912 WeakPolarHBondContact O-CB 3.14Å; K908-L912 PolarHBondContact O-N 3.39Å; L912-F917 HydrophobicContact CD2-CB 4.06Å; L912-F917 HydrophobicContact CD2-CD1 3.77Å; L912-F917 HydrophobicContact CD2-CE1 4.45Å; L912-F917 HydrophobicContact CD2-CG 3.95Å; L912-F918 HydrophobicContact CB-CE2 4.31Å; L912-F918 HydrophobicContact CD2-CE2 4.12Å; L912-L947 HydrophobicContact CD1-CD1 3.8Å; L912-L947 HydrophobicContact CD1-CD2 3.62Å; L912-L947 HydrophobicContact CD1-CG 4.39Å; L912-I955 HydrophobicContact CD1-CD1 4.18Å; L912-I955 HydrophobicContact CD2-CD1 3.81Å; L912-I955 HydrophobicContact CD2-CG1 4.46Å; L912-I955 HydrophobicContact CG-CD1 4.45Å
913	N	72.4	Confident	72.5	Confident	50 Å²	50	58.4 Å²	58.4	27%	0.267	29%	0.288	S	S	.	.	S	Bend	trans	-117.5	164.5	178.3	61.7	52.8	0	0	0	112.1	N909 K910 Y911 K915 Y916 F918	N909-N913 PolarHBondContact O-ND2 2.72Å; K910-N913 PolarHBondContact O-ND2 3.22Å; Y911-N913 PolarHBondContact O-N 2.77Å; N913-K915 PolarHBondContact O-N 3.25Å; N913-K915 WeakPolarHBondContact OD1-CB 3.48Å; N913-K915 PolarHBondContact OD1-N 3.09Å; N913-K915 VanDerWaalsContact OD1-N 3.07Å; N913-Y916 PolarHBondContact O-N 3.07Å; N913-Y916 PolarHBondContact OD1-N 3.15Å; N913-F918 PolarHBondContact O-N 3.47Å; N913-F918 VanDerWaalsContact O-N 3.1Å
914	K	65.5	Low	72.2	Confident	166 Å²	166	55.3 Å²	55.3	72%	0.722	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	2.9	179.1	-62.3	-174.6	177.7	-176.8	0	114.8	G919	K914-G919 VanDerWaalsContact O-CA 3.29Å; K914-G919 WeakPolarHBondContact O-CA 3.45Å
915	K	65.9	Low	72.1	Confident	187 Å²	187	57.9 Å²	57.9	81%	0.813	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	-30.3	176.5	-61.6	-174	178	-176.3	0	112.3	N913	N913-K915 PolarHBondContact O-N 3.25Å; N913-K915 WeakPolarHBondContact OD1-CB 3.48Å; N913-K915 PolarHBondContact OD1-N 3.09Å; N913-K915 VanDerWaalsContact OD1-N 3.07Å
916	Y	75.3	Confident	71.9	Confident	20 Å²	20	61 Å²	61	8%	0.078	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.8	-91.5	-178.5	177.1	-114.3	0	0	0	111.6	M878 D879 C882 Y911 N913 F918 G919 S922 P923	M878-Y916 HydrophobicContact CB-CD2 4.2Å; M878-Y916 HydrophobicContact CB-CE2 4.01Å; M878-Y916 HydrophobicContact CG-CD1 4.32Å; M878-Y916 HydrophobicContact CG-CD2 3.61Å; M878-Y916 HydrophobicContact CG-CE1 4.41Å; M878-Y916 HydrophobicContact CG-CE2 3.71Å; M878-Y916 HydrophobicContact CG-CG 3.95Å; D879-Y916 WeakPolarHBondContact CA-OH 3.45Å; D879-Y916 WeakPolarHBondContact OD1-CE2 3.41Å; D879-Y916 PolarHBondContact OD1-OH 2.86Å; C882-Y916 HydrophobicContact CB-CE1 3.94Å; C882-Y916 WeakPolarHBondContact CB-OH 3.5Å; Y911-Y916 AromaticContact CD1-CD1 3.9Å; Y911-Y916 HydrophobicContact CD1-CD1 3.9Å; Y911-Y916 AromaticContact CD1-CE1 3.77Å; Y911-Y916 HydrophobicContact CD1-CE1 3.77Å; Y911-Y916 HydrophobicContact CG-CD1 4.39Å; Y911-Y916 HydrophobicContact CG-CE1 4.29Å; Y911-Y916 WeakPolarHBondContact O-CD1 3.34Å; N913-Y916 PolarHBondContact O-N 3.07Å; N913-Y916 PolarHBondContact OD1-N 3.15Å; Y916-F918 VanDerWaalsContact C-N 3.31Å; Y916-F918 PolarHBondContact O-N 2.97Å; Y916-G919 PolarHBondContact O-N 3.11Å; Y916-S922 WeakPolarHBondContact O-CA 3.35Å; Y916-S922 WeakPolarHBondContact O-CB 3.5Å; Y916-P923 HydrophobicContact CE1-CG 4.45Å; Y916-P923 HydrophobicContact CE2-CG 3.89Å; Y916-P923 WeakPolarHBondContact OH-CG 3.38Å
917	F	74.8	Confident	71.5	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-28.7	-171	-166.2	-94.1	0	0	0	114.2	Y911 L912 S922 P923 A924 V932 I955	Y911-F917 WeakPolarHBondContact O-CB 3.5Å; Y911-F917 PolarHBondContact O-N 2.9Å; L912-F917 HydrophobicContact CD2-CB 4.06Å; L912-F917 HydrophobicContact CD2-CD1 3.77Å; L912-F917 HydrophobicContact CD2-CE1 4.45Å; L912-F917 HydrophobicContact CD2-CG 3.95Å; F917-S922 VanDerWaalsContact O-CB 3.3Å; F917-S922 WeakPolarHBondContact O-CB 3.49Å; F917-S922 PolarHBondContact O-OG 2.84Å; F917-P923 HydrophobicContact CD2-CG 4.47Å; F917-A924 HydrophobicContact CE2-CB 4.28Å; F917-A924 HydrophobicContact CZ-CB 4.1Å; F917-V932 HydrophobicContact CE1-CB 4.48Å; F917-V932 HydrophobicContact CE1-CG1 4.24Å; F917-V932 HydrophobicContact CZ-CG1 4.5Å; F917-V932 HydrophobicContact CZ-CG2 4.42Å; F917-I955 HydrophobicContact CD2-CG2 4.25Å; F917-I955 HydrophobicContact CE1-CG1 4.44Å; F917-I955 HydrophobicContact CE2-CB 4.42Å; F917-I955 HydrophobicContact CE2-CG1 4.18Å; F917-I955 HydrophobicContact CE2-CG2 4.03Å; F917-I955 HydrophobicContact CZ-CG1 3.99Å
918	F	73.5	Confident	71.3	Confident	28 Å²	28	67.2 Å²	67.2	12%	0.123	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	26.1	171.8	-60.2	-71.2	0	0	0	112.3	L912 N913 Y916 Q929 W939	L912-F918 HydrophobicContact CB-CE2 4.31Å; L912-F918 HydrophobicContact CD2-CE2 4.12Å; N913-F918 PolarHBondContact O-N 3.47Å; N913-F918 VanDerWaalsContact O-N 3.1Å; Y916-F918 VanDerWaalsContact C-N 3.31Å; Y916-F918 PolarHBondContact O-N 2.97Å; F918-Q929 HydrophobicContact CD1-CB 4.2Å; F918-Q929 HydrophobicContact CD1-CG 4.44Å; F918-Q929 HydrophobicContact CE1-CB 4.24Å; F918-W939 HydrophobicContact CD1-CH2 4.18Å; F918-W939 HydrophobicContact CD2-CH2 4.22Å; F918-W939 HydrophobicContact CD2-CZ3 4.49Å; F918-W939 HydrophobicContact CE1-CH2 4.41Å; F918-W939 HydrophobicContact CE2-CH2 4.44Å; F918-W939 HydrophobicContact CG-CH2 4.08Å
919	G	69.4	Low	71.3	Confident	7 Å²	7	66.6 Å²	66.6	7%	0.072	33%	0.334	C	S	.	.	S	Bend	trans	-103.4	172.6	177.2	0	0	0	0	0	113.3	K914 Y916 N921 S922	K914-G919 VanDerWaalsContact O-CA 3.29Å; K914-G919 WeakPolarHBondContact O-CA 3.45Å; Y916-G919 PolarHBondContact O-N 3.11Å; G919-N921 PolarHBondContact O-N 2.97Å; G919-S922 WeakPolarHBondContact O-CB 3.1Å; G919-S922 PolarHBondContact O-N 3.5Å
920	P	60.8	Low	70.9	Confident	130 Å²	130	65.1 Å²	65.1	84%	0.844	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-26.7	179.1	26.1	-34.5	0	0	0	113.3	S922	P920-S922 VanDerWaalsContact C-N 3.34Å
921	N	63.2	Low	70.5	Confident	120 Å²	120	66.1 Å²	66.1	64%	0.642	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	23.9	177.9	-66.8	2	0	0	0	112.9	G919 R962	G919-N921 PolarHBondContact O-N 2.97Å; N921-R962 PolarHBondContact O-NH1 3.28Å; N921-R962 PolarHBondContact O-NH2 3.38Å
922	S	70.8	Confident	70.3	Confident	16 Å²	16	66.1 Å²	66.1	11%	0.112	33%	0.332	C	S	.	.			trans	-60.2	150.2	-175	175.3	0	0	0	0	114	Y916 F917 G919 P920 A924 Q929	Y916-S922 WeakPolarHBondContact O-CA 3.35Å; Y916-S922 WeakPolarHBondContact O-CB 3.5Å; F917-S922 VanDerWaalsContact O-CB 3.3Å; F917-S922 WeakPolarHBondContact O-CB 3.49Å; F917-S922 PolarHBondContact O-OG 2.84Å; G919-S922 WeakPolarHBondContact O-CB 3.1Å; G919-S922 PolarHBondContact O-N 3.5Å; P920-S922 VanDerWaalsContact C-N 3.34Å; S922-A924 PolarHBondContact O-N 3.49Å; S922-A924 PolarHBondContact OG-N 3.05Å; S922-A924 VanDerWaalsContact OG-N 3.1Å; S922-A924 PolarHBondContact OG-O 3.15Å; S922-Q929 PolarHBondContact OG-NE2 3.46Å
923	P	68.9	Low	70.1	Confident	17 Å²	17	66 Å²	66	11%	0.11	33%	0.331	C	S	.	.	S	Bend	trans	-68.1	-11.5	168.9	-15.8	29.5	0	0	0	115.7	Y916 F917 V959	Y916-P923 HydrophobicContact CE1-CG 4.45Å; Y916-P923 HydrophobicContact CE2-CG 3.89Å; Y916-P923 WeakPolarHBondContact OH-CG 3.38Å; F917-P923 HydrophobicContact CD2-CG 4.47Å; P923-V959 HydrophobicContact CB-CG2 4.1Å; P923-V959 HydrophobicContact CG-CG2 4.01Å
924	A	70.2	Confident	69.8	Low	7 Å²	7	70.1 Å²	70.1	6%	0.058	35%	0.349	C	S	.	.	S	Bend	trans	-123.1	144.6	-177.5	0	0	0	0	0	111.2	F917 S922 Q928 Q929 H958	F917-A924 HydrophobicContact CE2-CB 4.28Å; F917-A924 HydrophobicContact CZ-CB 4.1Å; S922-A924 PolarHBondContact O-N 3.49Å; S922-A924 PolarHBondContact OG-N 3.05Å; S922-A924 VanDerWaalsContact OG-N 3.1Å; S922-A924 PolarHBondContact OG-O 3.15Å; A924-Q928 HydrophobicContact CB-CB 3.99Å; A924-Q929 HydrophobicContact CB-CG 3.97Å; A924-Q929 PolarHBondContact O-NE2 2.96Å; A924-H958 HydrophobicContact CB-CB 4.27Å
925	S	73.6	Confident	69.8	Low	60 Å²	60	67 Å²	67	42%	0.42	34%	0.339	S	S	.	.			trans	-66	158.3	172.5	70.6	0	0	0	0	111	Y927 Q928 Q929	S925-Y927 PolarHBondContact O-N 3.41Å; S925-Y927 VanDerWaalsContact O-N 3.14Å; S925-Q928 VanDerWaalsContact N-OE1 3.12Å; S925-Q928 CarbonylContact O-C 3.59Å; S925-Q928 WeakPolarHBondContact O-CA 3.46Å; S925-Q928 WeakPolarHBondContact O-CB 3.37Å; S925-Q928 PolarHBondContact O-N 3.34Å; S925-Q928 WeakPolarHBondContact OG-CG 3.24Å; S925-Q928 PolarHBondContact OG-N 2.8Å; S925-Q928 PolarHBondContact OG-OE1 2.9Å; S925-Q928 VanDerWaalsContact OG-OE1 3.11Å; S925-Q929 WeakPolarHBondContact O-CG 3.45Å; S925-Q929 PolarHBondContact O-N 2.95Å
926	L	71.1	Confident	69.4	Low	128 Å²	128	58.9 Å²	58.9	67%	0.67	31%	0.306	S	S	*	.	H	α-helix	trans	-54.1	-36.3	180	-71.5	168.7	0	0	0	112.9	N930	L926-N930 WeakPolarHBondContact O-CB 3.47Å; L926-N930 PolarHBondContact O-N 3.17Å; L926-N930 PolarHBondContact O-ND2 2.86Å
927	Y	72.2	Confident	68.7	Low	183 Å²	183	60.2 Å²	60.2	72%	0.718	33%	0.326	S	S	*	.	H	α-helix	trans	-64.1	-41.4	174.2	-176.5	-93.2	0	0	0	112.4	S925 N930 Q931	S925-Y927 PolarHBondContact O-N 3.41Å; S925-Y927 VanDerWaalsContact O-N 3.14Å; Y927-N930 PolarHBondContact O-N 2.85Å; Y927-Q931 PolarHBondContact O-N 3.38Å
928	Q	72.1	Confident	68.2	Low	61 Å²	61	61.3 Å²	61.3	29%	0.285	34%	0.337	S	S	.	.	H	α-helix	trans	-74.5	-36.2	178.6	-69.8	163.2	-22.3	0	0	112.3	A924 S925 N930 Q931 V932 H958	A924-Q928 HydrophobicContact CB-CB 3.99Å; S925-Q928 VanDerWaalsContact N-OE1 3.12Å; S925-Q928 CarbonylContact O-C 3.59Å; S925-Q928 WeakPolarHBondContact O-CA 3.46Å; S925-Q928 WeakPolarHBondContact O-CB 3.37Å; S925-Q928 PolarHBondContact O-N 3.34Å; S925-Q928 WeakPolarHBondContact OG-CG 3.24Å; S925-Q928 PolarHBondContact OG-N 2.8Å; S925-Q928 PolarHBondContact OG-OE1 2.9Å; S925-Q928 VanDerWaalsContact OG-OE1 3.11Å; Q928-N930 VanDerWaalsContact C-N 3.29Å; Q928-N930 PolarHBondContact O-N 2.93Å; Q928-Q931 WeakPolarHBondContact O-CB 3.47Å; Q928-Q931 PolarHBondContact O-N 3.08Å; Q928-V932 WeakPolarHBondContact O-CG2 3.09Å; Q928-V932 PolarHBondContact O-N 2.89Å; Q928-H958 VanDerWaalsContact CD-CE1 3.49Å
929	Q	72	Confident	67.5	Low	15 Å²	15	65.8 Å²	65.8	7%	0.07	35%	0.353	C	S	.	.	H	α-helix	trans	-58.2	-44.2	169.1	-67.5	175.2	37	0	0	110.5	F918 S922 A924 S925 M933	F918-Q929 HydrophobicContact CD1-CB 4.2Å; F918-Q929 HydrophobicContact CD1-CG 4.44Å; F918-Q929 HydrophobicContact CE1-CB 4.24Å; S922-Q929 PolarHBondContact OG-NE2 3.46Å; A924-Q929 HydrophobicContact CB-CG 3.97Å; A924-Q929 PolarHBondContact O-NE2 2.96Å; S925-Q929 WeakPolarHBondContact O-CG 3.45Å; S925-Q929 PolarHBondContact O-N 2.95Å; Q929-M933 VanDerWaalsContact O-CB 3.24Å; Q929-M933 WeakPolarHBondContact O-CB 3.43Å; Q929-M933 PolarHBondContact O-N 3.1Å
930	N	69.8	Low	66.8	Low	75 Å²	75	67.8 Å²	67.8	40%	0.401	37%	0.374	S	S	.	.	H	α-helix	trans	-65.1	-38.9	174.7	-71.1	-17	0	0	0	112.2	L926 Y927 Q928 M933 H934	L926-N930 WeakPolarHBondContact O-CB 3.47Å; L926-N930 PolarHBondContact O-N 3.17Å; L926-N930 PolarHBondContact O-ND2 2.86Å; Y927-N930 PolarHBondContact O-N 2.85Å; Q928-N930 VanDerWaalsContact C-N 3.29Å; Q928-N930 PolarHBondContact O-N 2.93Å; N930-M933 HydrophobicContact CB-CE 4.17Å; N930-M933 CarbonylContact O-C 3.54Å; N930-M933 WeakPolarHBondContact O-CB 3.42Å; N930-M933 PolarHBondContact O-N 2.8Å; N930-H934 PolarHBondContact O-CD2 2.91Å; N930-H934 PolarHBondContact O-N 3.5Å
931	Q	70.9	Confident	66.6	Low	88 Å²	88	68.7 Å²	68.7	41%	0.411	36%	0.364	S	S	.	.	H	α-helix	trans	-60.8	-48.7	176.1	-171.9	170	8.5	0	0	112	Y927 Q928 M933 H934 L935	Y927-Q931 PolarHBondContact O-N 3.38Å; Q928-Q931 WeakPolarHBondContact O-CB 3.47Å; Q928-Q931 PolarHBondContact O-N 3.08Å; Q931-M933 VanDerWaalsContact C-N 3.29Å; Q931-M933 PolarHBondContact O-N 3.41Å; Q931-H934 PolarHBondContact O-N 3.36Å; Q931-L935 HydrophobicContact CG-CD1 4.09Å; Q931-L935 WeakPolarHBondContact O-CG 3.5Å; Q931-L935 PolarHBondContact O-N 2.92Å
932	V	70.7	Confident	66.3	Low	2 Å²	2	63.7 Å²	63.7	1%	0.012	34%	0.338	C	S	.	.	H	α-helix	trans	-62.8	-35.6	174.6	175.8	0	0	0	0	111.4	F917 Q928 S936 V951 E954 I955	F917-V932 HydrophobicContact CE1-CB 4.48Å; F917-V932 HydrophobicContact CE1-CG1 4.24Å; F917-V932 HydrophobicContact CZ-CG1 4.5Å; F917-V932 HydrophobicContact CZ-CG2 4.42Å; Q928-V932 WeakPolarHBondContact O-CG2 3.09Å; Q928-V932 PolarHBondContact O-N 2.89Å; V932-S936 WeakPolarHBondContact O-CB 3.49Å; V932-S936 PolarHBondContact O-N 2.9Å; V932-S936 VanDerWaalsContact O-N 3.09Å; V932-S936 PolarHBondContact O-OG 2.88Å; V932-V951 HydrophobicContact CG1-CG1 3.95Å; V932-E954 HydrophobicContact CG2-CB 4.15Å; V932-I955 HydrophobicContact CG1-CG1 4.23Å
933	M	68.1	Low	65.3	Low	26 Å²	26	68.9 Å²	68.9	13%	0.128	36%	0.363	C	S	.	.	H	α-helix	trans	-67.8	-35.3	174.7	177.1	-170.1	75.2	0	0	113.2	Q929 N930 Q931 S936 G938 W939 I942	Q929-M933 VanDerWaalsContact O-CB 3.24Å; Q929-M933 WeakPolarHBondContact O-CB 3.43Å; Q929-M933 PolarHBondContact O-N 3.1Å; N930-M933 HydrophobicContact CB-CE 4.17Å; N930-M933 CarbonylContact O-C 3.54Å; N930-M933 WeakPolarHBondContact O-CB 3.42Å; N930-M933 PolarHBondContact O-N 2.8Å; Q931-M933 VanDerWaalsContact C-N 3.29Å; Q931-M933 PolarHBondContact O-N 3.41Å; M933-S936 WeakPolarHBondContact CA-OG 3.12Å; M933-S936 PolarHBondContact O-OG 3.12Å; M933-G938 WeakPolarHBondContact O-CA 3.3Å; M933-G938 PolarHBondContact O-N 3.43Å; M933-W939 HydrophobicContact SD-CZ2 4.05Å; M933-W939 PolarHBondContact SD-NE1 2.9Å; M933-I942 HydrophobicContact CB-CD1 4.34Å; M933-I942 HydrophobicContact CG-CD1 4.03Å
934	H	67.2	Low	64.6	Low	136 Å²	136	74.7 Å²	74.7	63%	0.63	39%	0.389	S	S	*	.	H	α-helix	trans	-72.2	-43.1	173.8	-74.5	-63.3	0	0	0	111.6	N930 Q931 S936 G937	N930-H934 PolarHBondContact O-CD2 2.91Å; N930-H934 PolarHBondContact O-N 3.5Å; Q931-H934 PolarHBondContact O-N 3.36Å; H934-S936 PolarHBondContact O-N 2.86Å; H934-G937 PolarHBondContact O-N 2.93Å
935	L	65.2	Low	64	Low	100 Å²	100	81.5 Å²	81.5	52%	0.524	42%	0.419	S	S	.	.	H	α-helix	trans	-68.5	-21.5	179.4	-73	163.8	0	0	0	113.6	Q931 G937 E954	Q931-L935 HydrophobicContact CG-CD1 4.09Å; Q931-L935 WeakPolarHBondContact O-CG 3.5Å; Q931-L935 PolarHBondContact O-N 2.92Å; L935-G937 VanDerWaalsContact C-N 3.34Å; L935-E954 WeakPolarHBondContact CD1-OE1 3.29Å; L935-E954 WeakPolarHBondContact CD1-OE2 3.39Å
936	S	58.2	Low	63.3	Low	18 Å²	18	84.4 Å²	84.4	13%	0.126	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	7.4	169.6	48.3	0	0	0	0	114	V932 M933 H934 K941 I942	V932-S936 WeakPolarHBondContact O-CB 3.49Å; V932-S936 PolarHBondContact O-N 2.9Å; V932-S936 VanDerWaalsContact O-N 3.09Å; V932-S936 PolarHBondContact O-OG 2.88Å; M933-S936 WeakPolarHBondContact CA-OG 3.12Å; M933-S936 PolarHBondContact O-OG 3.12Å; H934-S936 PolarHBondContact O-N 2.86Å; S936-K941 VanDerWaalsContact O-CB 3.27Å; S936-K941 WeakPolarHBondContact O-CB 3.48Å; S936-I942 WeakPolarHBondContact OG-CD1 3.49Å; S936-I942 VanDerWaalsContact OG-CG1 3.25Å; S936-I942 WeakPolarHBondContact OG-CG1 3.48Å
937	G	61	Low	62.9	Low	47 Å²	47	79 Å²	79	49%	0.485	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.1	23.8	175.2	0	0	0	0	0	115	H934 L935	H934-G937 PolarHBondContact O-N 2.93Å; L935-G937 VanDerWaalsContact C-N 3.34Å
938	G	64.1	Low	62.5	Low	23 Å²	23	75 Å²	75	24%	0.237	39%	0.389	C	S	.	.	S	Bend	trans	83.3	167.8	176.1	0	0	0	0	0	114.8	M933 G940 K941 I942	M933-G938 WeakPolarHBondContact O-CA 3.3Å; M933-G938 PolarHBondContact O-N 3.43Å; G938-G940 PolarHBondContact O-N 2.75Å; G938-K941 PolarHBondContact O-N 3.08Å; G938-I942 PolarHBondContact O-N 2.81Å
939	W	57.7	Low	62.1	Low	123 Å²	123	74.9 Å²	74.9	47%	0.466	40%	0.399	S	S	.	.	H	α-helix	trans	-48.2	-39.2	-173.9	-72.1	103.6	0	0	0	114.5	F918 M933 K941 I942 L943	F918-W939 HydrophobicContact CD1-CH2 4.18Å; F918-W939 HydrophobicContact CD2-CH2 4.22Å; F918-W939 HydrophobicContact CD2-CZ3 4.49Å; F918-W939 HydrophobicContact CE1-CH2 4.41Å; F918-W939 HydrophobicContact CE2-CH2 4.44Å; F918-W939 HydrophobicContact CG-CH2 4.08Å; M933-W939 HydrophobicContact SD-CZ2 4.05Å; M933-W939 PolarHBondContact SD-NE1 2.9Å; W939-K941 PolarHBondContact O-N 3.16Å; W939-I942 PolarHBondContact O-N 3.22Å; W939-L943 WeakPolarHBondContact O-CD1 3.48Å; W939-L943 VanDerWaalsContact O-CG 3.25Å; W939-L943 WeakPolarHBondContact O-CG 3.41Å; W939-L943 PolarHBondContact O-N 2.98Å; W939-L943 VanDerWaalsContact O-N 3.15Å
940	G	55.7	Low	61.9	Low	49 Å²	49	78.3 Å²	78.3	51%	0.505	42%	0.422	S	S	.	.	H	α-helix	trans	-60.4	-39.9	178.6	0	0	0	0	0	113.6	G938 H944	G938-G940 PolarHBondContact O-N 2.75Å; G940-H944 PolarHBondContact O-CD2 3.43Å
941	K	56.5	Low	61.9	Low	148 Å²	148	75 Å²	75	64%	0.643	41%	0.405	S	S	*	.	H	α-helix	trans	-80	-36.1	178.9	-78.1	-173.7	172.7	-174.1	0	112.8	S936 G938 W939 L943 H944	S936-K941 VanDerWaalsContact O-CB 3.27Å; S936-K941 WeakPolarHBondContact O-CB 3.48Å; G938-K941 PolarHBondContact O-N 3.08Å; W939-K941 PolarHBondContact O-N 3.16Å; K941-L943 PolarHBondContact O-N 3.04Å; K941-L943 VanDerWaalsContact O-N 3.15Å; K941-H944 PolarHBondContact O-N 3.4Å; K941-H944 VanDerWaalsContact O-N 3.1Å
942	I	56.3	Low	62	Low	16 Å²	16	71.7 Å²	71.7	8%	0.082	39%	0.39	C	S	.	.	H	α-helix	trans	-55.4	-31.8	171	-59.3	169.3	0	0	0	111.2	K908 M933 S936 G938 W939	K908-I942 WeakPolarHBondContact CE-O 3.28Å; K908-I942 PolarHBondContact NZ-O 3.18Å; K908-I942 VanDerWaalsContact NZ-O 3.1Å; M933-I942 HydrophobicContact CB-CD1 4.34Å; M933-I942 HydrophobicContact CG-CD1 4.03Å; S936-I942 WeakPolarHBondContact OG-CD1 3.49Å; S936-I942 VanDerWaalsContact OG-CG1 3.25Å; S936-I942 WeakPolarHBondContact OG-CG1 3.48Å; G938-I942 PolarHBondContact O-N 2.81Å; W939-I942 PolarHBondContact O-N 3.22Å
943	L	50.3	Low	62.2	Low	124 Å²	124	74.8 Å²	74.8	65%	0.649	41%	0.408	S	S	*	.	H	α-helix	trans	-77.8	-22.1	180	-72.1	168	0	0	0	114.6	K908 W939 K941	K908-L943 PolarHBondContact NZ-O 3.26Å; W939-L943 WeakPolarHBondContact O-CD1 3.48Å; W939-L943 VanDerWaalsContact O-CG 3.25Å; W939-L943 WeakPolarHBondContact O-CG 3.41Å; W939-L943 PolarHBondContact O-N 2.98Å; W939-L943 VanDerWaalsContact O-N 3.15Å; K941-L943 PolarHBondContact O-N 3.04Å; K941-L943 VanDerWaalsContact O-N 3.15Å
944	H	53.8	Low	62.4	Low	139 Å²	139	75.9 Å²	75.9	64%	0.644	41%	0.413	S	S	*	.	S	Bend	trans	-85.5	174.5	174.4	-75.8	-73.3	0	0	0	113.3	K908 G940 K941 Q946	K908-H944 PolarHBondContact NZ-O 3.2Å; G940-H944 PolarHBondContact O-CD2 3.43Å; K941-H944 PolarHBondContact O-N 3.4Å; K941-H944 VanDerWaalsContact O-N 3.1Å; H944-Q946 PolarHBondContact O-N 3.03Å
945	E	57.3	Low	62.8	Low	150 Å²	150	69.7 Å²	69.7	70%	0.701	39%	0.385	S	S	*	.	S	Bend	trans	-79.5	-13.8	-140.7	-67.6	-177.4	108.2	0	0	118
946	Q	60	Low	63.5	Low	122 Å²	122	65.5 Å²	65.5	57%	0.57	36%	0.362	S	S	*	.			trans	-122.2	130.4	-175.8	-170	170.5	-13.5	0	0	112.2	H944	H944-Q946 PolarHBondContact O-N 3.03Å
947	L	61.6	Low	64.5	Low	15 Å²	15	70.8 Å²	70.8	8%	0.079	38%	0.383	C	S	.	.			trans	-83.7	123.3	169	-66.8	177.7	0	0	0	110.5	S904 I907 K908 L912 L952	S904-L947 PolarHBondContact OG-N 3.47Å; I907-L947 HydrophobicContact CG2-CD1 4.45Å; K908-L947 HydrophobicContact CB-CD1 3.94Å; K908-L947 HydrophobicContact CB-CG 4.32Å; L912-L947 HydrophobicContact CD1-CD1 3.8Å; L912-L947 HydrophobicContact CD1-CD2 3.62Å; L912-L947 HydrophobicContact CD1-CG 4.39Å; L947-L952 HydrophobicContact CB-CD1 4.21Å; L947-L952 HydrophobicContact CB-CD2 4.21Å; L947-L952 HydrophobicContact CB-CG 4.1Å; L947-L952 HydrophobicContact CD1-CD2 3.87Å
948	D	63.9	Low	65.3	Low	97 Å²	97	69.8 Å²	69.8	52%	0.519	37%	0.366	S	S	.	.			trans	-65.6	142.8	177.9	-88.9	-42.1	0	0	0	112.8	P950 V951 L952	D948-P950 HydrophobicContact CB-CG 4.27Å; D948-V951 HydrophobicContact CB-CG2 4.02Å; D948-V951 WeakPolarHBondContact O-CB 3.43Å; D948-V951 PolarHBondContact O-N 3.06Å; D948-V951 VanDerWaalsContact O-N 3.11Å; D948-L952 PolarHBondContact O-N 2.84Å
949	A	64.3	Low	66	Low	60 Å²	60	68.7 Å²	68.7	50%	0.496	36%	0.355	S	S	.	.	H	α-helix	trans	-53.3	-45.4	-179.5	0	0	0	0	0	114.8	V951 L952 V953	A949-V951 VanDerWaalsContact C-N 3.35Å; A949-V951 PolarHBondContact O-N 3.27Å; A949-L952 PolarHBondContact O-N 3.11Å; A949-V953 WeakPolarHBondContact O-CG2 3.26Å; A949-V953 PolarHBondContact O-N 3.1Å
950	P	67.6	Low	67	Low	87 Å²	87	65.8 Å²	65.8	57%	0.565	35%	0.346	S	S	*	.	H	α-helix	trans	-59.8	-41.2	174.8	20.9	-34	0	0	0	113.3	D948 L952 V953 E954	D948-P950 HydrophobicContact CB-CG 4.27Å; P950-L952 VanDerWaalsContact C-N 3.33Å; P950-L952 PolarHBondContact O-N 3.26Å; P950-V953 PolarHBondContact O-N 3.18Å; P950-V953 VanDerWaalsContact O-N 3.1Å; P950-E954 PolarHBondContact O-N 2.84Å
951	V	70.3	Confident	68	Low	6 Å²	6	65.9 Å²	65.9	4%	0.036	34%	0.335	C	S	.	.	H	α-helix	trans	-61.3	-43.4	-179.4	-177.8	0	0	0	0	110.5	V932 D948 A949 V953 E954 I955	V932-V951 HydrophobicContact CG1-CG1 3.95Å; D948-V951 HydrophobicContact CB-CG2 4.02Å; D948-V951 WeakPolarHBondContact O-CB 3.43Å; D948-V951 PolarHBondContact O-N 3.06Å; D948-V951 VanDerWaalsContact O-N 3.11Å; A949-V951 VanDerWaalsContact C-N 3.35Å; A949-V951 PolarHBondContact O-N 3.27Å; V951-V953 VanDerWaalsContact C-N 3.34Å; V951-V953 PolarHBondContact O-N 3.46Å; V951-E954 PolarHBondContact O-N 3.4Å; V951-I955 HydrophobicContact CG1-CD1 3.94Å; V951-I955 WeakPolarHBondContact O-CD1 3.12Å; V951-I955 VanDerWaalsContact O-CG1 3.26Å; V951-I955 WeakPolarHBondContact O-CG1 3.31Å; V951-I955 PolarHBondContact O-N 2.88Å
952	L	71.8	Confident	69	Low	18 Å²	18	61.3 Å²	61.3	9%	0.094	31%	0.314	C	S	.	.	H	α-helix	trans	-62.8	-37.5	175.1	-71	166.4	0	0	0	112.8	I886 L889 I907 L947 D948 A949 P950 Q956	I886-L952 HydrophobicContact CG1-CD2 4.34Å; I886-L952 HydrophobicContact CG2-CB 4.46Å; L889-L952 HydrophobicContact CD2-CD1 3.7Å; L889-L952 HydrophobicContact CD2-CD2 4.36Å; I907-L952 HydrophobicContact CG2-CD2 4.46Å; L947-L952 HydrophobicContact CB-CD1 4.21Å; L947-L952 HydrophobicContact CB-CD2 4.21Å; L947-L952 HydrophobicContact CB-CG 4.1Å; L947-L952 HydrophobicContact CD1-CD2 3.87Å; D948-L952 PolarHBondContact O-N 2.84Å; A949-L952 PolarHBondContact O-N 3.11Å; P950-L952 VanDerWaalsContact C-N 3.33Å; P950-L952 PolarHBondContact O-N 3.26Å; L952-Q956 WeakPolarHBondContact O-CB 3.38Å; L952-Q956 PolarHBondContact O-N 3.27Å
953	V	75.1	Confident	70.1	Confident	66 Å²	66	60.5 Å²	60.5	40%	0.4	31%	0.31	S	S	.	.	H	α-helix	trans	-68.7	-38.8	177.5	171.2	0	0	0	0	111.5	A949 P950 V951 Q956 K957	A949-V953 WeakPolarHBondContact O-CG2 3.26Å; A949-V953 PolarHBondContact O-N 3.1Å; P950-V953 PolarHBondContact O-N 3.18Å; P950-V953 VanDerWaalsContact O-N 3.1Å; V951-V953 VanDerWaalsContact C-N 3.34Å; V951-V953 PolarHBondContact O-N 3.46Å; V953-Q956 PolarHBondContact O-N 3.47Å; V953-K957 WeakPolarHBondContact O-CB 3.16Å; V953-K957 PolarHBondContact O-N 3.34Å
954	E	73.8	Confident	71.5	Confident	50 Å²	50	56.9 Å²	56.9	23%	0.234	29%	0.289	C	S	.	.	H	α-helix	trans	-68.9	-42.1	175.3	-68.4	-165.2	144.8	0	0	112.5	V932 L935 P950 V951 Q956 K957 H958	V932-E954 HydrophobicContact CG2-CB 4.15Å; L935-E954 WeakPolarHBondContact CD1-OE1 3.29Å; L935-E954 WeakPolarHBondContact CD1-OE2 3.39Å; P950-E954 PolarHBondContact O-N 2.84Å; V951-E954 PolarHBondContact O-N 3.4Å; E954-Q956 VanDerWaalsContact C-N 3.34Å; E954-Q956 PolarHBondContact O-N 2.87Å; E954-K957 WeakPolarHBondContact O-CB 3.45Å; E954-K957 PolarHBondContact O-N 3.48Å; E954-H958 PolarHBondContact O-CD2 2.93Å; E954-H958 PolarHBondContact O-N 3.5Å
955	I	74.8	Confident	72.5	Confident	5 Å²	5	52.2 Å²	52.2	3%	0.026	27%	0.269	C	S	.	.	H	α-helix	trans	-58.4	-47.9	172.7	-64.6	157.6	0	0	0	110	I886 L912 F917 V932 V951 K957 H958 V959	I886-I955 HydrophobicContact CD1-CB 4.33Å; I886-I955 HydrophobicContact CD1-CG2 3.74Å; L912-I955 HydrophobicContact CD1-CD1 4.18Å; L912-I955 HydrophobicContact CD2-CD1 3.81Å; L912-I955 HydrophobicContact CD2-CG1 4.46Å; L912-I955 HydrophobicContact CG-CD1 4.45Å; F917-I955 HydrophobicContact CD2-CG2 4.25Å; F917-I955 HydrophobicContact CE1-CG1 4.44Å; F917-I955 HydrophobicContact CE2-CB 4.42Å; F917-I955 HydrophobicContact CE2-CG1 4.18Å; F917-I955 HydrophobicContact CE2-CG2 4.03Å; F917-I955 HydrophobicContact CZ-CG1 3.99Å; V932-I955 HydrophobicContact CG1-CG1 4.23Å; V951-I955 HydrophobicContact CG1-CD1 3.94Å; V951-I955 WeakPolarHBondContact O-CD1 3.12Å; V951-I955 VanDerWaalsContact O-CG1 3.26Å; V951-I955 WeakPolarHBondContact O-CG1 3.31Å; V951-I955 PolarHBondContact O-N 2.88Å; I955-K957 VanDerWaalsContact C-N 3.29Å; I955-K957 PolarHBondContact O-N 3.46Å; I955-H958 PolarHBondContact O-N 2.94Å; I955-V959 HydrophobicContact CG2-CG2 4.36Å; I955-V959 WeakPolarHBondContact O-CB 3.49Å; I955-V959 WeakPolarHBondContact O-CG2 3.46Å; I955-V959 PolarHBondContact O-N 3.38Å
956	Q	78.9	Confident	73.3	Confident	12 Å²	12	47.2 Å²	47.2	6%	0.056	25%	0.249	C	C	.	.	H	α-helix	trans	-58	-41.8	177	-165.1	175.3	16.1	0	0	111.2	W883 I886 E887 L952 V953 E954 Q960	W883-Q956 HydrophobicContact CG-CG 4.36Å; I886-Q956 HydrophobicContact CG2-CB 4.23Å; I886-Q956 HydrophobicContact CG2-CG 4.39Å; E887-Q956 PolarHBondContact OE2-NE2 2.9Å; E887-Q956 VanDerWaalsContact OE2-NE2 3.09Å; L952-Q956 WeakPolarHBondContact O-CB 3.38Å; L952-Q956 PolarHBondContact O-N 3.27Å; V953-Q956 PolarHBondContact O-N 3.47Å; E954-Q956 VanDerWaalsContact C-N 3.34Å; E954-Q956 PolarHBondContact O-N 2.87Å; Q956-Q960 WeakPolarHBondContact O-CB 3.3Å; Q956-Q960 PolarHBondContact O-N 2.89Å
957	K	80.8	Confident	74.2	Confident	130 Å²	130	43 Å²	43	57%	0.565	23%	0.228	S	C	*	.	H	α-helix	trans	-65.1	-43.3	176.7	-176.4	-178.3	180	-175.6	0	112.8	V953 E954 I955 N961	V953-K957 WeakPolarHBondContact O-CB 3.16Å; V953-K957 PolarHBondContact O-N 3.34Å; E954-K957 WeakPolarHBondContact O-CB 3.45Å; E954-K957 PolarHBondContact O-N 3.48Å; I955-K957 VanDerWaalsContact C-N 3.29Å; I955-K957 PolarHBondContact O-N 3.46Å; K957-N961 WeakPolarHBondContact O-CB 3.14Å; K957-N961 PolarHBondContact O-N 2.96Å; K957-N961 PolarHBondContact O-ND2 3.37Å
958	H	77.3	Confident	75.1	Confident	26 Å²	26	42.3 Å²	42.3	12%	0.12	23%	0.225	C	C	.	.	H	α-helix	trans	-68.4	-43.4	178.5	-77.1	-67.2	0	0	0	112.1	A924 Q928 E954 I955 N961 R962	A924-H958 HydrophobicContact CB-CB 4.27Å; Q928-H958 VanDerWaalsContact CD-CE1 3.49Å; E954-H958 PolarHBondContact O-CD2 2.93Å; E954-H958 PolarHBondContact O-N 3.5Å; I955-H958 PolarHBondContact O-N 2.94Å; H958-N961 PolarHBondContact O-N 3.49Å; H958-R962 PolarHBondContact O-N 2.95Å
959	V	78.8	Confident	75.8	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-61.5	-46.6	174.4	173.4	0	0	0	0	111.2	D879 W883 P923 I955 N961 R962 L963	D879-V959 HydrophobicContact CB-CG1 4.37Å; D879-V959 WeakPolarHBondContact O-CG1 3.11Å; W883-V959 HydrophobicContact CB-CG1 3.98Å; P923-V959 HydrophobicContact CB-CG2 4.1Å; P923-V959 HydrophobicContact CG-CG2 4.01Å; I955-V959 HydrophobicContact CG2-CG2 4.36Å; I955-V959 WeakPolarHBondContact O-CB 3.49Å; I955-V959 WeakPolarHBondContact O-CG2 3.46Å; I955-V959 PolarHBondContact O-N 3.38Å; V959-N961 VanDerWaalsContact C-N 3.35Å; V959-N961 PolarHBondContact O-N 2.97Å; V959-R962 PolarHBondContact O-N 3.43Å; V959-L963 HydrophobicContact CG1-CD1 4.07Å; V959-L963 WeakPolarHBondContact O-CG 3.21Å; V959-L963 PolarHBondContact O-N 3.21Å
960	Q	78.1	Confident	76.4	Confident	61 Å²	61	38 Å²	38	29%	0.285	19%	0.193	S	C	.	.	H	α-helix	trans	-60.4	-42.1	175.7	-179.3	172.9	-11.1	0	0	112.1	F854 Q956 R962 L963 E964	F854-Q960 HydrophobicContact CD1-CG 4.43Å; Q956-Q960 WeakPolarHBondContact O-CB 3.3Å; Q956-Q960 PolarHBondContact O-N 2.89Å; Q960-R962 VanDerWaalsContact C-N 3.26Å; Q960-R962 PolarHBondContact O-N 3.05Å; Q960-L963 PolarHBondContact O-N 2.95Å; Q960-E964 HydrophobicContact CG-CG 4.22Å; Q960-E964 WeakPolarHBondContact CG-OE1 3.44Å; Q960-E964 PolarHBondContact NE2-OE1 3.49Å; Q960-E964 WeakPolarHBondContact O-CB 3.26Å; Q960-E964 WeakPolarHBondContact O-CG 3.26Å; Q960-E964 PolarHBondContact O-N 2.96Å
961	N	77.5	Confident	77.1	Confident	52 Å²	52	34 Å²	34	28%	0.278	17%	0.166	S	C	.	.	H	α-helix	trans	-59.8	-33.9	176.6	-92	-90.9	0	0	0	112.9	K957 H958 V959 N965	K957-N961 WeakPolarHBondContact O-CB 3.14Å; K957-N961 PolarHBondContact O-N 2.96Å; K957-N961 PolarHBondContact O-ND2 3.37Å; H958-N961 PolarHBondContact O-N 3.49Å; V959-N961 VanDerWaalsContact C-N 3.35Å; V959-N961 PolarHBondContact O-N 2.97Å; N961-N965 VanDerWaalsContact O-CB 3.31Å; N961-N965 WeakPolarHBondContact O-CB 3.21Å; N961-N965 PolarHBondContact O-N 3.08Å; N961-N965 PolarHBondContact O-ND2 3.15Å
962	R	77.8	Confident	77.4	Confident	51 Å²	51	33.8 Å²	33.8	19%	0.192	17%	0.165	C	C	.	.	H	α-helix	trans	-73.6	-43.8	174.9	-174.3	-177.1	-166.3	176.4	20.7	112.1	D879 N921 H958 V959 Q960 E964 V966 W967	D879-R962 IonicContact OD1-CZ 2.65Å; D879-R962 IonicContact OD1-NE 3.7Å; D879-R962 IonicContact OD1-NH1 2.58Å; D879-R962 PolarHBondContact OD1-NH1 2.87Å; D879-R962 WeakPolarHBondContact OD2-CD 3.28Å; D879-R962 IonicContact OD2-CZ 3.75Å; D879-R962 IonicContact OD2-NE 3.69Å; D879-R962 PolarHBondContact OD2-NE 3.07Å; D879-R962 IonicContact OD2-NH1 2.65Å; D879-R962 PolarHBondContact OD2-NH1 3.19Å; N921-R962 PolarHBondContact O-NH1 3.28Å; N921-R962 PolarHBondContact O-NH2 3.38Å; H958-R962 PolarHBondContact O-N 2.95Å; V959-R962 PolarHBondContact O-N 3.43Å; Q960-R962 VanDerWaalsContact C-N 3.26Å; Q960-R962 PolarHBondContact O-N 3.05Å; R962-E964 VanDerWaalsContact C-N 3.31Å; R962-E964 PolarHBondContact O-N 2.71Å; R962-V966 HydrophobicContact CG-CG2 4.43Å; R962-V966 WeakPolarHBondContact O-CB 3.47Å; R962-V966 PolarHBondContact O-N 3.01Å; R962-W967 PolarHBondContact O-N 3.4Å
963	L	78	Confident	77.6	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.178	C	C	.	.	I	π-helix	trans	-58.1	-44.8	174.6	-69.2	168	0	0	0	110.9	F854 F867 L871 D879 L880 W883 V959 Q960 L968	F854-L963 HydrophobicContact CE2-CD1 4.42Å; F854-L963 HydrophobicContact CZ-CD1 4.08Å; F867-L963 HydrophobicContact CE1-CD2 4.2Å; F867-L963 HydrophobicContact CZ-CD2 4.24Å; L871-L963 HydrophobicContact CD1-CD2 3.7Å; D879-L963 HydrophobicContact CB-CD2 3.89Å; D879-L963 HydrophobicContact CB-CG 4.26Å; L880-L963 HydrophobicContact CD1-CD1 4.34Å; W883-L963 HydrophobicContact CB-CD1 4.41Å; V959-L963 HydrophobicContact CG1-CD1 4.07Å; V959-L963 WeakPolarHBondContact O-CG 3.21Å; V959-L963 PolarHBondContact O-N 3.21Å; Q960-L963 PolarHBondContact O-N 2.95Å; L963-L968 WeakPolarHBondContact O-CB 3.49Å; L963-L968 PolarHBondContact O-N 2.81Å
964	E	79.4	Confident	77.8	Confident	47 Å²	47	32.9 Å²	32.9	22%	0.22	17%	0.166	C	C	.	.	I	π-helix	trans	-74.7	-35.1	-178.5	-76.4	173.3	174.4	0	0	114.9	W842 F854 Q960 R962 P969	W842-E964 VanDerWaalsContact CZ2-O 3.3Å; W842-E964 WeakPolarHBondContact CZ2-O 3.37Å; F854-E964 HydrophobicContact CB-CG 3.5Å; F854-E964 VanDerWaalsContact CB-CG 3.5Å; F854-E964 HydrophobicContact CG-CG 4.38Å; Q960-E964 HydrophobicContact CG-CG 4.22Å; Q960-E964 WeakPolarHBondContact CG-OE1 3.44Å; Q960-E964 PolarHBondContact NE2-OE1 3.49Å; Q960-E964 WeakPolarHBondContact O-CB 3.26Å; Q960-E964 WeakPolarHBondContact O-CG 3.26Å; Q960-E964 PolarHBondContact O-N 2.96Å; R962-E964 VanDerWaalsContact C-N 3.31Å; R962-E964 PolarHBondContact O-N 2.71Å; E964-P969 WeakPolarHBondContact O-CD 3.09Å
965	N	76.3	Confident	77.5	Confident	41 Å²	41	38.8 Å²	38.8	22%	0.219	19%	0.193	C	C	.	.	I	π-helix	trans	-108	-6.6	-171.4	-62.9	-85.1	0	0	0	115.1	N961	N961-N965 VanDerWaalsContact O-CB 3.31Å; N961-N965 WeakPolarHBondContact O-CB 3.21Å; N961-N965 PolarHBondContact O-N 3.08Å; N961-N965 PolarHBondContact O-ND2 3.15Å
966	V	74.6	Confident	77.3	Confident	46 Å²	46	44.9 Å²	44.9	28%	0.279	22%	0.222	S	C	.	.	I	π-helix	trans	-124.3	-54	177.7	-174.2	0	0	0	0	110.6	R962 L970	R962-V966 HydrophobicContact CG-CG2 4.43Å; R962-V966 WeakPolarHBondContact O-CB 3.47Å; R962-V966 PolarHBondContact O-N 3.01Å; V966-L970 HydrophobicContact CG1-CD1 4.45Å; V966-L970 WeakPolarHBondContact O-CD1 3.06Å; V966-L970 VanDerWaalsContact O-CG 3.28Å; V966-L970 WeakPolarHBondContact O-CG 3.22Å
967	W	78.4	Confident	77.2	Confident	33 Å²	33	44.3 Å²	44.3	13%	0.125	22%	0.219	C	C	.	.	I	π-helix	trans	-82.4	-38.8	-173	-62.6	123.7	0	0	0	114.4	F867 L871 H874 S876 D879 R962 L970 F971	F867-W967 HydrophobicContact CE2-CB 4.3Å; F867-W967 HydrophobicContact CZ-CB 4.11Å; L871-W967 HydrophobicContact CD2-CB 3.72Å; L871-W967 HydrophobicContact CD2-CD2 3.76Å; L871-W967 HydrophobicContact CD2-CE3 4.24Å; L871-W967 HydrophobicContact CD2-CG 3.5Å; L871-W967 VanDerWaalsContact CD2-CG 3.5Å; H874-W967 HydrophobicContact CB-CH2 4.33Å; H874-W967 HydrophobicContact CB-CZ3 3.87Å; S876-W967 VanDerWaalsContact CB-CZ2 3.44Å; S876-W967 WeakPolarHBondContact OG-CH2 3.26Å; S876-W967 WeakPolarHBondContact OG-CZ2 3.46Å; D879-W967 PolarHBondContact OD2-NE1 2.95Å; R962-W967 PolarHBondContact O-N 3.4Å; W967-L970 HydrophobicContact CE3-CD1 4.05Å; W967-L970 HydrophobicContact CZ3-CD1 4.06Å; W967-L970 PolarHBondContact O-N 3Å; W967-F971 WeakPolarHBondContact O-CB 3.32Å; W967-F971 PolarHBondContact O-N 2.89Å
968	L	80.1	Confident	76.9	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-62.1	-45.8	176.5	176.3	64.9	0	0	0	112.2	W842 L857 L963 L970 F971 L972	W842-L968 HydrophobicContact CH2-CD2 4.36Å; L857-L968 HydrophobicContact CD1-CD1 3.73Å; L857-L968 HydrophobicContact CG-CD1 4.31Å; L963-L968 WeakPolarHBondContact O-CB 3.49Å; L963-L968 PolarHBondContact O-N 2.81Å; L968-L970 PolarHBondContact O-N 3.22Å; L968-F971 PolarHBondContact O-N 3.32Å; L968-L972 HydrophobicContact CD1-CD1 3.87Å; L968-L972 HydrophobicContact CD1-CD2 4.4Å; L968-L972 HydrophobicContact CD1-CG 3.96Å; L968-L972 HydrophobicContact CG-CD1 3.87Å; L968-L972 HydrophobicContact CG-CG 4.38Å; L968-L972 VanDerWaalsContact O-CG 3.26Å; L968-L972 WeakPolarHBondContact O-CG 3.34Å; L968-L972 PolarHBondContact O-N 3.27Å
969	P	78.6	Confident	76.7	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-59.6	-44.4	174.3	-26.3	36.6	0	0	0	112.9	Y841 W842 V845 E964 F971 L972 A973	Y841-P969 WeakPolarHBondContact O-CB 3.43Å; W842-P969 HydrophobicContact CD2-CB 4.26Å; W842-P969 HydrophobicContact CD2-CG 3.66Å; W842-P969 HydrophobicContact CE3-CB 4.36Å; W842-P969 HydrophobicContact CE3-CG 4.07Å; W842-P969 HydrophobicContact CG-CG 4.1Å; W842-P969 HydrophobicContact CH2-CG 4.23Å; W842-P969 HydrophobicContact CZ2-CG 3.83Å; W842-P969 HydrophobicContact CZ3-CG 4.33Å; V845-P969 HydrophobicContact CG2-CB 3.69Å; V845-P969 WeakPolarHBondContact CG2-O 3.04Å; E964-P969 WeakPolarHBondContact O-CD 3.09Å; P969-F971 VanDerWaalsContact C-N 3.3Å; P969-F971 PolarHBondContact O-N 3.06Å; P969-L972 PolarHBondContact O-N 3.31Å; P969-A973 VanDerWaalsContact O-CB 3.3Å; P969-A973 WeakPolarHBondContact O-CB 3.41Å; P969-A973 PolarHBondContact O-N 3.48Å
970	L	77.7	Confident	76.5	Confident	66 Å²	66	43.6 Å²	43.6	35%	0.346	23%	0.228	S	C	.	.	H	α-helix	trans	-64.3	-32.8	177.7	-68.6	172.5	0	0	0	112.6	Y841 F870 V966 W967 L968 S974	Y841-L970 HydrophobicContact CD1-CD1 4.5Å; Y841-L970 HydrophobicContact CD1-CD2 3.95Å; Y841-L970 HydrophobicContact CD1-CG 4.25Å; Y841-L970 HydrophobicContact CE1-CD2 4.37Å; F870-L970 HydrophobicContact CE1-CB 4.27Å; F870-L970 HydrophobicContact CZ-CB 3.97Å; F870-L970 WeakPolarHBondContact CZ-O 3.32Å; V966-L970 HydrophobicContact CG1-CD1 4.45Å; V966-L970 WeakPolarHBondContact O-CD1 3.06Å; V966-L970 VanDerWaalsContact O-CG 3.28Å; V966-L970 WeakPolarHBondContact O-CG 3.22Å; W967-L970 HydrophobicContact CE3-CD1 4.05Å; W967-L970 HydrophobicContact CZ3-CD1 4.06Å; W967-L970 PolarHBondContact O-N 3Å; L968-L970 PolarHBondContact O-N 3.22Å; L970-S974 PolarHBondContact O-N 3.3Å
971	F	80.7	Confident	76.2	Confident	2 Å²	2	41.6 Å²	41.6	1%	0.009	22%	0.218	C	C	.	.	H	α-helix	trans	-71.5	-44.2	173.5	178.5	-109.5	0	0	0	112.5	L857 H866 F867 F870 W967 L968 P969 A973 S974 F977	L857-F971 HydrophobicContact CD2-CE1 4.01Å; H866-F971 HydrophobicContact CB-CE2 4.4Å; H866-F971 HydrophobicContact CB-CZ 4.26Å; F867-F971 HydrophobicContact CB-CE1 4.18Å; F867-F971 HydrophobicContact CB-CE2 4.17Å; F867-F971 HydrophobicContact CB-CZ 3.97Å; F867-F971 HydrophobicContact CD2-CB 3.81Å; F867-F971 AromaticContact CD2-CD1 3.81Å; F867-F971 HydrophobicContact CD2-CD1 3.81Å; F867-F971 AromaticContact CD2-CD2 3.97Å; F867-F971 HydrophobicContact CD2-CD2 3.97Å; F867-F971 HydrophobicContact CD2-CE1 4.28Å; F867-F971 HydrophobicContact CD2-CE2 4.43Å; F867-F971 AromaticContact CD2-CG 3.61Å; F867-F971 HydrophobicContact CD2-CG 3.61Å; F867-F971 HydrophobicContact CE2-CB 3.98Å; F867-F971 HydrophobicContact CE2-CG 4.29Å; F870-F971 HydrophobicContact CB-CD2 3.81Å; F870-F971 HydrophobicContact CB-CE2 4.14Å; F870-F971 HydrophobicContact CD1-CB 3.9Å; F870-F971 AromaticContact CD1-CD2 3.88Å; F870-F971 HydrophobicContact CD1-CD2 3.88Å; F870-F971 HydrophobicContact CD1-CG 4.36Å; F870-F971 HydrophobicContact CD2-CD2 4.11Å; F870-F971 HydrophobicContact CE1-CB 3.76Å; F870-F971 HydrophobicContact CE1-CD2 4.47Å; F870-F971 HydrophobicContact CG-CB 4.49Å; F870-F971 AromaticContact CG-CD2 3.69Å; F870-F971 HydrophobicContact CG-CD2 3.69Å; F870-F971 HydrophobicContact CG-CE2 4.47Å; F870-F971 HydrophobicContact CZ-CB 4.24Å; W967-F971 WeakPolarHBondContact O-CB 3.32Å; W967-F971 PolarHBondContact O-N 2.89Å; L968-F971 PolarHBondContact O-N 3.32Å; P969-F971 VanDerWaalsContact C-N 3.3Å; P969-F971 PolarHBondContact O-N 3.06Å; F971-A973 VanDerWaalsContact C-N 3.32Å; F971-A973 PolarHBondContact O-N 3.33Å; F971-S974 VanDerWaalsContact O-CB 3.25Å; F971-S974 WeakPolarHBondContact O-CB 3.48Å; F971-S974 PolarHBondContact O-N 3.37Å; F971-S974 PolarHBondContact O-OG 2.89Å; F971-F977 HydrophobicContact CD1-CD2 4.07Å; F971-F977 AromaticContact CE1-CD2 3.5Å; F971-F977 HydrophobicContact CE1-CD2 3.5Å; F971-F977 VanDerWaalsContact CE1-CD2 3.5Å; F971-F977 AromaticContact CE1-CE2 3.92Å; F971-F977 HydrophobicContact CE1-CE2 3.92Å; F971-F977 HydrophobicContact CE1-CG 4.4Å; F971-F977 AromaticContact CZ-CD2 3.93Å; F971-F977 HydrophobicContact CZ-CD2 3.93Å; F971-F977 VanDerWaalsContact O-CB 3.32Å; F971-F977 WeakPolarHBondContact O-CB 3.37Å
972	L	77.3	Confident	75.8	Confident	2 Å²	2	46 Å²	46	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-68.1	-31.8	178.9	-65.9	170.6	0	0	0	112.4	W842 V845 F852 L968 P969 S974 F977	W842-L972 HydrophobicContact CZ3-CD1 4.24Å; V845-L972 HydrophobicContact CG1-CB 3.96Å; V845-L972 HydrophobicContact CG1-CD1 4.44Å; F852-L972 HydrophobicContact CB-CD1 3.98Å; F852-L972 HydrophobicContact CB-CD2 4.35Å; F852-L972 HydrophobicContact CD1-CD2 4.33Å; F852-L972 HydrophobicContact CG-CD2 4.22Å; L968-L972 HydrophobicContact CD1-CD1 3.87Å; L968-L972 HydrophobicContact CD1-CD2 4.4Å; L968-L972 HydrophobicContact CD1-CG 3.96Å; L968-L972 HydrophobicContact CG-CD1 3.87Å; L968-L972 HydrophobicContact CG-CG 4.38Å; L968-L972 VanDerWaalsContact O-CG 3.26Å; L968-L972 WeakPolarHBondContact O-CG 3.34Å; L968-L972 PolarHBondContact O-N 3.27Å; P969-L972 PolarHBondContact O-N 3.31Å; L972-S974 VanDerWaalsContact C-N 3.26Å; L972-S974 PolarHBondContact O-N 3.18Å; L972-F977 HydrophobicContact CD2-CD1 4.11Å; L972-F977 HydrophobicContact CD2-CE1 3.53Å; L972-F977 HydrophobicContact CD2-CE2 3.99Å; L972-F977 HydrophobicContact CD2-CZ 3.46Å; L972-F977 VanDerWaalsContact CD2-CZ 3.46Å
973	A	76.9	Confident	75.3	Confident	45 Å²	45	48.3 Å²	48.3	37%	0.372	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-6	171.1	0	0	0	0	0	113.6	P969 F971	P969-A973 VanDerWaalsContact O-CB 3.3Å; P969-A973 WeakPolarHBondContact O-CB 3.41Å; P969-A973 PolarHBondContact O-N 3.48Å; F971-A973 VanDerWaalsContact C-N 3.32Å; F971-A973 PolarHBondContact O-N 3.33Å
974	S	78.6	Confident	74.8	Confident	20 Å²	20	51.8 Å²	51.8	14%	0.14	27%	0.265	C	S	.	.			trans	-74.6	134.3	-179.4	77.6	0	0	0	0	112	L970 F971 L972 Q976 F977 A978	L970-S974 PolarHBondContact O-N 3.3Å; F971-S974 VanDerWaalsContact O-CB 3.25Å; F971-S974 WeakPolarHBondContact O-CB 3.48Å; F971-S974 PolarHBondContact O-N 3.37Å; F971-S974 PolarHBondContact O-OG 2.89Å; L972-S974 VanDerWaalsContact C-N 3.26Å; L972-S974 PolarHBondContact O-N 3.18Å; S974-Q976 PolarHBondContact O-N 3.45Å; S974-Q976 VanDerWaalsContact O-N 3.17Å; S974-F977 WeakPolarHBondContact O-CB 3.16Å; S974-F977 PolarHBondContact O-N 3.02Å; S974-F977 WeakPolarHBondContact OG-CB 3.25Å; S974-F977 PolarHBondContact OG-N 3.35Å; S974-A978 PolarHBondContact O-N 2.87Å
975	E	66.9	Low	74	Confident	174 Å²	174	53 Å²	53	81%	0.813	28%	0.276	S	S	*	.	H	α-helix	trans	-58.4	-31.6	178.5	-172.3	171.9	-148.6	0	0	112.3	F977 A978 A979	E975-F977 PolarHBondContact O-N 2.83Å; E975-A978 PolarHBondContact O-N 3.17Å; E975-A979 WeakPolarHBondContact O-CB 3.35Å; E975-A979 PolarHBondContact O-N 3.02Å
976	Q	71.5	Confident	73	Confident	133 Å²	133	56.6 Å²	56.6	62%	0.621	29%	0.291	S	S	*	.	H	α-helix	trans	-65.3	-35	174.4	-61.1	-174.1	7.2	0	0	113.2	S974 R980	S974-Q976 PolarHBondContact O-N 3.45Å; S974-Q976 VanDerWaalsContact O-N 3.17Å; Q976-R980 WeakPolarHBondContact O-CG 3.36Å; Q976-R980 VanDerWaalsContact O-CZ 3.3Å; Q976-R980 PolarHBondContact O-N 3.14Å; Q976-R980 PolarHBondContact O-NE 2.86Å
977	F	77.3	Confident	71.7	Confident	1 Å²	1	61 Å²	61	0%	0.004	31%	0.311	C	S	.	.	H	α-helix	trans	-69.7	-48.1	173.8	178.9	-95.8	0	0	0	110.4	Y849 F971 L972 S974 E975 A979 R980 Q981	Y849-F977 HydrophobicContact CD1-CE1 4.07Å; Y849-F977 HydrophobicContact CD2-CE1 4.28Å; Y849-F977 HydrophobicContact CE1-CE1 4.14Å; Y849-F977 HydrophobicContact CE2-CE1 4.33Å; Y849-F977 HydrophobicContact CG-CE1 4.16Å; F971-F977 HydrophobicContact CD1-CD2 4.07Å; F971-F977 AromaticContact CE1-CD2 3.5Å; F971-F977 HydrophobicContact CE1-CD2 3.5Å; F971-F977 VanDerWaalsContact CE1-CD2 3.5Å; F971-F977 AromaticContact CE1-CE2 3.92Å; F971-F977 HydrophobicContact CE1-CE2 3.92Å; F971-F977 HydrophobicContact CE1-CG 4.4Å; F971-F977 AromaticContact CZ-CD2 3.93Å; F971-F977 HydrophobicContact CZ-CD2 3.93Å; F971-F977 VanDerWaalsContact O-CB 3.32Å; F971-F977 WeakPolarHBondContact O-CB 3.37Å; L972-F977 HydrophobicContact CD2-CD1 4.11Å; L972-F977 HydrophobicContact CD2-CE1 3.53Å; L972-F977 HydrophobicContact CD2-CE2 3.99Å; L972-F977 HydrophobicContact CD2-CZ 3.46Å; L972-F977 VanDerWaalsContact CD2-CZ 3.46Å; S974-F977 WeakPolarHBondContact O-CB 3.16Å; S974-F977 PolarHBondContact O-N 3.02Å; S974-F977 WeakPolarHBondContact OG-CB 3.25Å; S974-F977 PolarHBondContact OG-N 3.35Å; E975-F977 PolarHBondContact O-N 2.83Å; F977-A979 VanDerWaalsContact C-N 3.31Å; F977-A979 PolarHBondContact O-N 3.36Å; F977-R980 PolarHBondContact O-N 3.41Å; F977-R980 VanDerWaalsContact O-N 3.15Å; F977-Q981 HydrophobicContact CD1-CG 4.12Å; F977-Q981 HydrophobicContact CE1-CG 3.66Å; F977-Q981 HydrophobicContact CE2-CG 4.17Å; F977-Q981 VanDerWaalsContact CE2-NE2 3.25Å; F977-Q981 HydrophobicContact CZ-CG 3.68Å; F977-Q981 VanDerWaalsContact CZ-NE2 3.33Å; F977-Q981 PolarHBondContact O-N 3.49Å
978	A	73.1	Confident	70.4	Confident	28 Å²	28	64.6 Å²	64.6	23%	0.231	33%	0.329	C	S	.	.	H	α-helix	trans	-59.1	-39.1	177.3	0	0	0	0	0	112.8	S974 E975 Q981 K982	S974-A978 PolarHBondContact O-N 2.87Å; E975-A978 PolarHBondContact O-N 3.17Å; A978-Q981 PolarHBondContact O-N 3.39Å; A978-K982 WeakPolarHBondContact O-CG 3.36Å; A978-K982 PolarHBondContact O-N 3.06Å
979	A	72.6	Confident	68.8	Low	47 Å²	47	69 Å²	69	39%	0.388	35%	0.352	S	S	.	.	H	α-helix	trans	-63.3	-44.4	174.7	0	0	0	0	0	112.4	E975 F977 K982 I983	E975-A979 WeakPolarHBondContact O-CB 3.35Å; E975-A979 PolarHBondContact O-N 3.02Å; F977-A979 VanDerWaalsContact C-N 3.31Å; F977-A979 PolarHBondContact O-N 3.36Å; A979-K982 PolarHBondContact O-N 3.16Å; A979-I983 WeakPolarHBondContact O-CG1 3.45Å; A979-I983 PolarHBondContact O-N 3.25Å; A979-I983 VanDerWaalsContact O-N 3.15Å
980	R	76.1	Confident	67.5	Low	65 Å²	65	73.1 Å²	73.1	25%	0.245	37%	0.374	C	S	.	.	H	α-helix	trans	-64.2	-42.3	176.4	-74.4	-177.4	-66	-102.9	-2.4	112.2	Q976 F977 I983 K984	Q976-R980 WeakPolarHBondContact O-CG 3.36Å; Q976-R980 VanDerWaalsContact O-CZ 3.3Å; Q976-R980 PolarHBondContact O-N 3.14Å; Q976-R980 PolarHBondContact O-NE 2.86Å; F977-R980 PolarHBondContact O-N 3.41Å; F977-R980 VanDerWaalsContact O-N 3.15Å; R980-I983 PolarHBondContact O-N 3.2Å; R980-K984 WeakPolarHBondContact O-CB 3.45Å; R980-K984 PolarHBondContact O-N 2.96Å
981	Q	70.8	Confident	66	Low	19 Å²	19	72.1 Å²	72.1	9%	0.089	38%	0.375	C	S	.	.	H	α-helix	trans	-67.9	-35.7	177.3	-60.5	-54	-23.3	0	0	112.1	E863 F977 A978 I983 K984 V985	E863-Q981 PolarHBondContact OE1-NE2 2.94Å; F977-Q981 HydrophobicContact CD1-CG 4.12Å; F977-Q981 HydrophobicContact CE1-CG 3.66Å; F977-Q981 HydrophobicContact CE2-CG 4.17Å; F977-Q981 VanDerWaalsContact CE2-NE2 3.25Å; F977-Q981 HydrophobicContact CZ-CG 3.68Å; F977-Q981 VanDerWaalsContact CZ-NE2 3.33Å; F977-Q981 PolarHBondContact O-N 3.49Å; A978-Q981 PolarHBondContact O-N 3.39Å; Q981-I983 PolarHBondContact O-N 2.74Å; Q981-K984 WeakPolarHBondContact O-CB 3.48Å; Q981-K984 PolarHBondContact O-N 3.39Å; Q981-V985 WeakPolarHBondContact O-CG2 3.43Å; Q981-V985 PolarHBondContact O-N 3.39Å
982	K	69.4	Low	64.2	Low	144 Å²	144	78.5 Å²	78.5	63%	0.626	41%	0.405	S	S	*	.	H	α-helix	trans	-60.3	-42.8	172.3	-76.4	172.4	-179.5	177.3	0	112.7	A978 A979 K984 Q986	A978-K982 WeakPolarHBondContact O-CG 3.36Å; A978-K982 PolarHBondContact O-N 3.06Å; A979-K982 PolarHBondContact O-N 3.16Å; K982-K984 VanDerWaalsContact C-N 3.34Å; K982-Q986 WeakPolarHBondContact O-CB 3.5Å; K982-Q986 VanDerWaalsContact O-CG 3.28Å; K982-Q986 WeakPolarHBondContact O-CG 3.43Å; K982-Q986 PolarHBondContact O-N 3.1Å
983	I	67.8	Low	62.4	Low	101 Å²	101	83.3 Å²	83.3	52%	0.518	43%	0.427	S	S	.	.	H	α-helix	trans	-66.4	-38.1	175.8	-65.6	164.4	0	0	0	110.9	A979 R980 Q981 Q986 M987	A979-I983 WeakPolarHBondContact O-CG1 3.45Å; A979-I983 PolarHBondContact O-N 3.25Å; A979-I983 VanDerWaalsContact O-N 3.15Å; R980-I983 PolarHBondContact O-N 3.2Å; Q981-I983 PolarHBondContact O-N 2.74Å; I983-Q986 PolarHBondContact O-N 3.33Å; I983-M987 WeakPolarHBondContact O-CB 3.46Å; I983-M987 PolarHBondContact O-N 2.86Å
984	K	66.2	Low	60.8	Low	72 Å²	72	86.3 Å²	86.3	31%	0.313	44%	0.436	S	S	.	.	H	α-helix	trans	-65.5	-47.3	177.1	-169.1	-171.5	-173.2	177.7	0	112	E863 R980 Q981 K982 M987 E988	E863-K984 IonicContact OE1-NZ 3.7Å; E863-K984 PolarHBondContact OE1-NZ 3.28Å; R980-K984 WeakPolarHBondContact O-CB 3.45Å; R980-K984 PolarHBondContact O-N 2.96Å; Q981-K984 WeakPolarHBondContact O-CB 3.48Å; Q981-K984 PolarHBondContact O-N 3.39Å; K982-K984 VanDerWaalsContact C-N 3.34Å; K984-M987 CarbonylContact O-C 3.45Å; K984-M987 PolarHBondContact O-N 3.34Å; K984-M987 VanDerWaalsContact O-N 3.11Å; K984-E988 WeakPolarHBondContact O-CG 3.24Å; K984-E988 PolarHBondContact O-N 2.86Å
985	V	62.8	Low	59.2	Low	73 Å²	73	91.1 Å²	91.1	44%	0.442	46%	0.46	S	S	.	.	H	α-helix	trans	-60	-46.2	173.8	172.1	0	0	0	0	110.3	Q981 M987 E988 D989	Q981-V985 WeakPolarHBondContact O-CG2 3.43Å; Q981-V985 PolarHBondContact O-N 3.39Å; V985-M987 VanDerWaalsContact C-N 3.27Å; V985-M987 PolarHBondContact O-N 2.95Å; V985-E988 CarbonylContact O-C 3.54Å; V985-E988 PolarHBondContact O-N 3.35Å; V985-D989 WeakPolarHBondContact O-CB 3.41Å; V985-D989 VanDerWaalsContact O-CG 3.26Å; V985-D989 PolarHBondContact O-N 3.02Å
986	Q	54.9	Low	58	Low	116 Å²	116	89.6 Å²	89.6	54%	0.542	46%	0.456	S	S	.	.	H	α-helix	trans	-59.3	-36	174	-74.8	172.9	-11.1	0	0	113	K982 I983 I990	K982-Q986 WeakPolarHBondContact O-CB 3.5Å; K982-Q986 VanDerWaalsContact O-CG 3.28Å; K982-Q986 WeakPolarHBondContact O-CG 3.43Å; K982-Q986 PolarHBondContact O-N 3.1Å; I983-Q986 PolarHBondContact O-N 3.33Å; Q986-I990 VanDerWaalsContact O-CB 3.26Å; Q986-I990 WeakPolarHBondContact O-CB 3.26Å; Q986-I990 VanDerWaalsContact O-CD1 3.31Å; Q986-I990 WeakPolarHBondContact O-CD1 3.42Å; Q986-I990 WeakPolarHBondContact O-CG1 3.28Å; Q986-I990 PolarHBondContact O-N 2.79Å
987	M	48.9	Very low	56.2	Low	138 Å²	138	89 Å²	89	68%	0.68	45%	0.454	S	S	*	.	H	α-helix	trans	-77.3	-25.1	174.5	-79	-159.9	141.1	0	0	114	I983 K984 V985 A991	I983-M987 WeakPolarHBondContact O-CB 3.46Å; I983-M987 PolarHBondContact O-N 2.86Å; K984-M987 CarbonylContact O-C 3.45Å; K984-M987 PolarHBondContact O-N 3.34Å; K984-M987 VanDerWaalsContact O-N 3.11Å; V985-M987 VanDerWaalsContact C-N 3.27Å; V985-M987 PolarHBondContact O-N 2.95Å; M987-A991 WeakPolarHBondContact O-CB 3.37Å; M987-A991 PolarHBondContact O-N 3.02Å
988	E	50.1	Low	53.9	Low	109 Å²	109	96.1 Å²	96.1	51%	0.509	49%	0.485	S	S	.	.	H	α-helix	trans	-76.8	-43.2	172.2	-75.3	171.8	176	0	0	110.2	K984 V985 I990 A991 E992	K984-E988 WeakPolarHBondContact O-CG 3.24Å; K984-E988 PolarHBondContact O-N 2.86Å; V985-E988 CarbonylContact O-C 3.54Å; V985-E988 PolarHBondContact O-N 3.35Å; E988-I990 PolarHBondContact O-N 2.95Å; E988-A991 CarbonylContact O-C 3.6Å; E988-A991 WeakPolarHBondContact O-CA 3.34Å; E988-A991 PolarHBondContact O-N 2.76Å; E988-A991 VanDerWaalsContact O-N 3.08Å; E988-E992 PolarHBondContact O-N 3.49Å
989	D	46.8	Very low	51.9	Low	93 Å²	93	99.7 Å²	99.7	50%	0.497	51%	0.506	S	S	.	.	H	α-helix	trans	-56	-50.6	169.2	-67.4	-29.9	0	0	0	111	V985 A991 E992 E993	V985-D989 WeakPolarHBondContact O-CB 3.41Å; V985-D989 VanDerWaalsContact O-CG 3.26Å; V985-D989 PolarHBondContact O-N 3.02Å; D989-A991 VanDerWaalsContact C-N 3.27Å; D989-A991 PolarHBondContact O-N 3.07Å; D989-E992 PolarHBondContact O-N 3.38Å; D989-E993 WeakPolarHBondContact O-CB 3.31Å; D989-E993 PolarHBondContact O-N 3.31Å
990	I	51.9	Low	49.8	Very low	88 Å²	88	106 Å²	106	45%	0.451	53%	0.527	S	S	.	.	H	α-helix	trans	-66.1	-29	176.2	-70.1	165.8	0	0	0	111.4	Q986 E988 L994	Q986-I990 VanDerWaalsContact O-CB 3.26Å; Q986-I990 WeakPolarHBondContact O-CB 3.26Å; Q986-I990 VanDerWaalsContact O-CD1 3.31Å; Q986-I990 WeakPolarHBondContact O-CD1 3.42Å; Q986-I990 WeakPolarHBondContact O-CG1 3.28Å; Q986-I990 PolarHBondContact O-N 2.79Å; E988-I990 PolarHBondContact O-N 2.95Å; I990-L994 HydrophobicContact CG2-CD1 3.88Å; I990-L994 HydrophobicContact CG2-CG 4.36Å; I990-L994 VanDerWaalsContact O-CB 3.26Å; I990-L994 WeakPolarHBondContact O-CB 3.26Å; I990-L994 WeakPolarHBondContact O-CG 3.35Å; I990-L994 PolarHBondContact O-N 2.85Å
991	A	44.7	Very low	47.7	Very low	45 Å²	45	111.5 Å²	111.5	37%	0.372	55%	0.553	S	S	.	*	H	α-helix	trans	-75.6	-35.9	174.9	0	0	0	0	0	112.3	M987 E988 D989 L994 L995	M987-A991 WeakPolarHBondContact O-CB 3.37Å; M987-A991 PolarHBondContact O-N 3.02Å; E988-A991 CarbonylContact O-C 3.6Å; E988-A991 WeakPolarHBondContact O-CA 3.34Å; E988-A991 PolarHBondContact O-N 2.76Å; E988-A991 VanDerWaalsContact O-N 3.08Å; D989-A991 VanDerWaalsContact C-N 3.27Å; D989-A991 PolarHBondContact O-N 3.07Å; A991-L994 PolarHBondContact O-N 3.23Å; A991-L995 VanDerWaalsContact O-CB 3.28Å; A991-L995 WeakPolarHBondContact O-CB 3.43Å; A991-L995 WeakPolarHBondContact O-CD1 3.35Å; A991-L995 WeakPolarHBondContact O-CG 3.49Å; A991-L995 PolarHBondContact O-N 3.35Å
992	E	43.8	Very low	45.9	Very low	136 Å²	136	119.1 Å²	119.1	64%	0.636	59%	0.585	S	S	*	*	H	α-helix	trans	-68.1	-42.2	170.7	-68.1	-158.5	153.2	0	0	110.6	E988 D989 L994 L995 L996	E988-E992 PolarHBondContact O-N 3.49Å; D989-E992 PolarHBondContact O-N 3.38Å; E992-L994 PolarHBondContact O-N 2.68Å; E992-L995 PolarHBondContact O-N 3.21Å; E992-L995 VanDerWaalsContact O-N 3.12Å; E992-L996 WeakPolarHBondContact O-CG 3.23Å; E992-L996 PolarHBondContact O-N 3.02Å
993	E	39.1	Very low	44.3	Very low	103 Å²	103	118.6 Å²	118.6	48%	0.481	59%	0.588	S	S	.	*	H	α-helix	trans	-59.3	-42.6	172.4	-170.9	177.9	-168.7	0	0	111.8	D989 L996 Q997	D989-E993 WeakPolarHBondContact O-CB 3.31Å; D989-E993 PolarHBondContact O-N 3.31Å; E993-L996 PolarHBondContact O-N 3.02Å; E993-Q997 WeakPolarHBondContact O-CB 3.44Å; E993-Q997 WeakPolarHBondContact O-CG 3.37Å; E993-Q997 PolarHBondContact O-N 2.86Å; E993-Q997 PolarHBondContact OE1-NE2 3.03Å; E993-Q997 VanDerWaalsContact OE1-NE2 3.1Å
994	L	42.9	Very low	42.4	Very low	107 Å²	107	116 Å²	116	56%	0.56	59%	0.587	S	S	*	*	H	α-helix	trans	-76.7	-18	175.2	-72	171.9	0	0	0	114.3	I990 A991 E992	I990-L994 HydrophobicContact CG2-CD1 3.88Å; I990-L994 HydrophobicContact CG2-CG 4.36Å; I990-L994 VanDerWaalsContact O-CB 3.26Å; I990-L994 WeakPolarHBondContact O-CB 3.26Å; I990-L994 WeakPolarHBondContact O-CG 3.35Å; I990-L994 PolarHBondContact O-N 2.85Å; A991-L994 PolarHBondContact O-N 3.23Å; E992-L994 PolarHBondContact O-N 2.68Å
995	L	45.5	Very low	40.7	Very low	121 Å²	121	116.6 Å²	116.6	63%	0.634	60%	0.596	S	S	*	*	H	α-helix	trans	-79.6	-31	170.3	-79.9	167	0	0	0	111.6	A991 E992	A991-L995 VanDerWaalsContact O-CB 3.28Å; A991-L995 WeakPolarHBondContact O-CB 3.43Å; A991-L995 WeakPolarHBondContact O-CD1 3.35Å; A991-L995 WeakPolarHBondContact O-CG 3.49Å; A991-L995 PolarHBondContact O-N 3.35Å; E992-L995 PolarHBondContact O-N 3.21Å; E992-L995 VanDerWaalsContact O-N 3.12Å
996	L	42.5	Very low	39.5	Very low	142 Å²	142	119.9 Å²	119.9	74%	0.743	60%	0.601	S	S	*	*	H	α-helix	trans	-72.1	-47.9	167.4	-68.7	165.8	0	0	0	110.7	E992 E993 K998	E992-L996 WeakPolarHBondContact O-CG 3.23Å; E992-L996 PolarHBondContact O-N 3.02Å; E993-L996 PolarHBondContact O-N 3.02Å; L996-K998 PolarHBondContact O-N 3.36Å
997	Q	33.2	Very low	38.4	Very low	121 Å²	121	122 Å²	122	57%	0.565	61%	0.608	S	S	*	*			trans	-77.5	46.9	177.1	-64.4	-174.2	33.9	0	0	113.7	E993	E993-Q997 WeakPolarHBondContact O-CB 3.44Å; E993-Q997 WeakPolarHBondContact O-CG 3.37Å; E993-Q997 PolarHBondContact O-N 2.86Å; E993-Q997 PolarHBondContact OE1-NE2 3.03Å; E993-Q997 VanDerWaalsContact OE1-NE2 3.1Å
998	K	29.3	Very low	38.1	Very low	151 Å²	151	118.4 Å²	118.4	66%	0.657	60%	0.595	S	S	*	*			trans	-70.2	126.2	155.5	-83.3	-176.3	177.4	173.4	0	108.5	L996 E1000	L996-K998 PolarHBondContact O-N 3.36Å; K998-E1000 PolarHBondContact O-N 2.74Å
999	P	31.1	Very low	37.7	Very low	103 Å²	103	117 Å²	117	67%	0.669	59%	0.594	S	S	*	*			trans	-65.1	124.5	174.6	27	-33.5	0	0	0	109.5	K1001	P999-K1001 HydrophobicContact CB-CG 4.47Å; P999-K1001 PolarHBondContact O-N 3.08Å
1000	E	28.5	Very low	37.4	Very low	178 Å²	178	118 Å²	118	83%	0.832	60%	0.595	S	S	*	*			trans	-70.2	64.5	174.1	-65.3	-163.5	130.4	0	0	111.4	K998 K1002	K998-E1000 PolarHBondContact O-N 2.74Å; E1000-K1002 PolarHBondContact O-N 2.77Å
1001	K	32	Very low	36.9	Very low	181 Å²	181	115.8 Å²	115.8	79%	0.787	59%	0.588	S	S	*	*			trans	-69.9	116	169.8	-71.7	-164.4	173.3	-171.2	0	108.4	P999	P999-K1001 HydrophobicContact CB-CG 4.47Å; P999-K1001 PolarHBondContact O-N 3.08Å
1002	K	32.9	Very low	37.2	Very low	179 Å²	179	121.2 Å²	121.2	78%	0.778	60%	0.603	S	S	*	*			trans	84.6	96.7	-170.7	-53.4	-177	179.3	-168.5	0	113.8	E1000 G1004	E1000-K1002 PolarHBondContact O-N 2.77Å; K1002-G1004 PolarHBondContact O-N 3.12Å
1003	I	35.4	Very low	37.4	Very low	133 Å²	133	117.7 Å²	117.7	68%	0.682	58%	0.584	S	S	*	*			trans	-66.2	74.2	142.1	-67.3	173.6	0	0	0	106	P1098	I1003-P1098 HydrophobicContact CG2-CG 4.46Å
1004	G	27.9	Very low	38	Very low	48 Å²	48	113.8 Å²	113.8	50%	0.495	57%	0.566	S	S	.	*			trans	-99.3	104.8	-165.1	0	0	0	0	0	112.1	K1002	K1002-G1004 PolarHBondContact O-N 3.12Å
1005	V	30.9	Very low	38.3	Very low	84 Å²	84	110 Å²	110	51%	0.509	55%	0.549	S	S	.	.			trans	66	111.7	166.8	-173.6	0	0	0	0	114.8	E711 K1007	E711-V1005 VanDerWaalsContact CD-CG1 3.41Å; E711-V1005 HydrophobicContact CG-CG1 4.01Å; E711-V1005 WeakPolarHBondContact OE1-CG1 3.38Å; V1005-K1007 HydrophobicContact CG1-CG 4.22Å; V1005-K1007 PolarHBondContact O-N 3.28Å
1006	W	36.6	Very low	39	Very low	141 Å²	141	104.7 Å²	104.7	53%	0.534	52%	0.522	S	S	.	.			trans	-59.1	117	165.1	-77.4	85.2	0	0	0	110.3	T1123	W1006-T1123 HydrophobicContact CZ2-CG2 4.13Å
1007	K	33.1	Very low	40.2	Very low	162 Å²	162	98.3 Å²	98.3	70%	0.704	49%	0.489	S	S	*	.			trans	-111.9	102.9	164.8	-67.1	-159.3	171.1	-169.5	0	109.4	E711 V1005	E711-K1007 VanDerWaalsContact OE1-CE 3.25Å; E711-K1007 WeakPolarHBondContact OE1-CE 3.49Å; E711-K1007 IonicContact OE1-NZ 3.21Å; V1005-K1007 HydrophobicContact CG1-CG 4.22Å; V1005-K1007 PolarHBondContact O-N 3.28Å
1008	P	42.9	Very low	42.1	Very low	62 Å²	62	93 Å²	93	40%	0.403	47%	0.465	S	S	.	.			trans	-59.5	145.4	-178.4	-25.3	34.9	0	0	0	112.8	E1010	P1008-E1010 PolarHBondContact O-N 3.22Å
1009	V	40.1	Very low	44.3	Very low	80 Å²	80	90.1 Å²	90.1	49%	0.485	45%	0.454	S	S	.	.			trans	-88.7	90.6	161.4	-179.8	0	0	0	0	106.6	S1011 K1012	V1009-S1011 PolarHBondContact O-N 3.5Å; V1009-S1011 VanDerWaalsContact O-N 3.09Å; V1009-K1012 HydrophobicContact CG1-CG 4.4Å; V1009-K1012 PolarHBondContact O-N 3.24Å
1010	E	41.1	Very low	46.7	Very low	112 Å²	112	85.6 Å²	85.6	52%	0.523	42%	0.424	S	S	.	.	H	α-helix	trans	-46.5	-41.5	-171.1	-65.9	163.7	-168.5	0	0	113.5	P1008 K1012 W1013 I1014	P1008-E1010 PolarHBondContact O-N 3.22Å; E1010-K1012 PolarHBondContact O-N 3.45Å; E1010-K1012 VanDerWaalsContact O-N 3.17Å; E1010-W1013 PolarHBondContact O-N 3.35Å; E1010-I1014 PolarHBondContact O-N 3.27Å
1011	S	42	Very low	49.2	Very low	43 Å²	43	77.4 Å²	77.4	30%	0.301	39%	0.386	S	S	.	.	H	α-helix	trans	-59.5	-27.3	-179.3	66.3	0	0	0	0	114.2	Y670 V1009 S1015	Y670-S1011 VanDerWaalsContact CE1-CB 3.47Å; V1009-S1011 PolarHBondContact O-N 3.5Å; V1009-S1011 VanDerWaalsContact O-N 3.09Å; S1011-S1015 WeakPolarHBondContact O-CB 3.44Å; S1011-S1015 PolarHBondContact O-N 3.47Å; S1011-S1015 PolarHBondContact O-OG 3.19Å; S1011-S1015 VanDerWaalsContact O-OG 3.08Å
1012	K	50.8	Low	51.6	Low	158 Å²	158	70.6 Å²	70.6	69%	0.687	36%	0.364	S	S	*	.	H	α-helix	trans	-77.3	-25.5	179.7	-74.8	-161.6	171.4	-164.3	0	113.9	V1009 E1010 S1016	V1009-K1012 HydrophobicContact CG1-CG 4.4Å; V1009-K1012 PolarHBondContact O-N 3.24Å; E1010-K1012 PolarHBondContact O-N 3.45Å; E1010-K1012 VanDerWaalsContact O-N 3.17Å; K1012-S1016 PolarHBondContact O-OG 3.23Å
1013	W	47.9	Very low	54	Low	63 Å²	63	62.1 Å²	62.1	24%	0.239	33%	0.327	C	S	.	.	H	α-helix	trans	-88.8	-34.2	178.8	-88.8	70.2	0	0	0	112	Y709 E1010 S1016 S1017 I1020 M1122 F1125	Y709-W1013 HydrophobicContact CE1-CD2 4.09Å; Y709-W1013 AromaticContact CE1-CE3 3.78Å; Y709-W1013 HydrophobicContact CE1-CE3 3.78Å; Y709-W1013 HydrophobicContact CE1-CH2 4.12Å; Y709-W1013 HydrophobicContact CE1-CZ2 4.4Å; Y709-W1013 AromaticContact CE1-CZ3 3.82Å; Y709-W1013 HydrophobicContact CE1-CZ3 3.82Å; Y709-W1013 AromaticContact CZ-CE3 3.74Å; Y709-W1013 AromaticContact CZ-CZ3 3.84Å; Y709-W1013 WeakPolarHBondContact OH-CZ3 3.47Å; E1010-W1013 PolarHBondContact O-N 3.35Å; W1013-S1016 CarbonylContact O-C 3.53Å; W1013-S1016 PolarHBondContact O-N 3.05Å; W1013-S1016 PolarHBondContact O-OG 3.42Å; W1013-S1017 PolarHBondContact O-N 3.05Å; W1013-I1020 HydrophobicContact CB-CD1 4.36Å; W1013-I1020 HydrophobicContact CD2-CD1 3.87Å; W1013-I1020 HydrophobicContact CE3-CD1 3.33Å; W1013-I1020 HydrophobicContact CE3-CG1 4.2Å; W1013-I1020 HydrophobicContact CG-CD1 4.33Å; W1013-I1020 HydrophobicContact CZ3-CD1 3.88Å; W1013-I1020 HydrophobicContact CZ3-CG1 4.29Å; W1013-I1020 HydrophobicContact CZ3-CG2 4.31Å; W1013-I1020 WeakPolarHBondContact O-CD1 3.32Å; W1013-M1122 HydrophobicContact CH2-CE 3.62Å; W1013-M1122 HydrophobicContact CZ2-CE 4.41Å; W1013-M1122 HydrophobicContact CZ3-CE 3.98Å; W1013-F1125 AromaticContact CH2-CD1 3.51Å; W1013-F1125 HydrophobicContact CH2-CD1 3.51Å; W1013-F1125 AromaticContact CH2-CE1 3.58Å; W1013-F1125 HydrophobicContact CH2-CE1 3.58Å; W1013-F1125 HydrophobicContact CZ2-CD1 4.17Å; W1013-F1125 HydrophobicContact CZ2-CE1 4.39Å; W1013-F1125 HydrophobicContact CZ3-CD1 4.36Å; W1013-F1125 HydrophobicContact CZ3-CE1 4.01Å
1014	I	51	Low	56.4	Low	21 Å²	21	56.4 Å²	56.4	11%	0.108	30%	0.297	C	S	.	.	H	α-helix	trans	-75.8	-39.6	-177.8	-61.1	164.6	0	0	0	111	Y670 E1010 S1016 S1017	Y670-I1014 HydrophobicContact CD2-CB 4.07Å; Y670-I1014 HydrophobicContact CD2-CD1 3.62Å; Y670-I1014 HydrophobicContact CD2-CG1 4.45Å; Y670-I1014 HydrophobicContact CD2-CG2 3.87Å; Y670-I1014 HydrophobicContact CE2-CD1 3.55Å; Y670-I1014 HydrophobicContact CG-CG2 4.22Å; E1010-I1014 PolarHBondContact O-N 3.27Å; I1014-S1016 PolarHBondContact O-N 3.38Å; I1014-S1017 PolarHBondContact O-N 3Å
1015	S	50	Low	59.1	Low	28 Å²	28	57.9 Å²	57.9	20%	0.196	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-20.3	172.2	-58.4	0	0	0	0	113.6	L666 S1011	L666-S1015 WeakPolarHBondContact CD1-O 3.26Å; S1011-S1015 WeakPolarHBondContact O-CB 3.44Å; S1011-S1015 PolarHBondContact O-N 3.47Å; S1011-S1015 PolarHBondContact O-OG 3.19Å; S1011-S1015 VanDerWaalsContact O-OG 3.08Å
1016	S	60.2	Low	61.6	Low	9 Å²	9	54.5 Å²	54.5	6%	0.063	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108	17.8	-178.9	62.4	0	0	0	0	113.7	K1012 W1013 I1014 C1018 E1019 I1020	K1012-S1016 PolarHBondContact O-OG 3.23Å; W1013-S1016 CarbonylContact O-C 3.53Å; W1013-S1016 PolarHBondContact O-N 3.05Å; W1013-S1016 PolarHBondContact O-OG 3.42Å; I1014-S1016 PolarHBondContact O-N 3.38Å; S1016-C1018 VanDerWaalsContact C-N 3.34Å; S1016-C1018 PolarHBondContact O-N 2.9Å; S1016-E1019 WeakPolarHBondContact CB-OE2 3.33Å; S1016-E1019 CarbonylContact O-C 3.59Å; S1016-E1019 WeakPolarHBondContact O-CA 3.31Å; S1016-E1019 WeakPolarHBondContact O-CB 3.39Å; S1016-E1019 PolarHBondContact O-N 3.35Å; S1016-I1020 WeakPolarHBondContact O-CD1 3.32Å; S1016-I1020 WeakPolarHBondContact O-CG1 3.33Å; S1016-I1020 PolarHBondContact O-N 2.73Å
1017	S	68.3	Low	63.8	Low	8 Å²	8	47.9 Å²	47.9	6%	0.056	25%	0.245	C	C	.	.	H	α-helix	trans	-60.5	-40.6	-174.7	90.5	0	0	0	0	112.9	E764 W1013 I1014 E1019 I1020 I1021	E764-S1017 WeakPolarHBondContact OE1-CB 3.1Å; E764-S1017 PolarHBondContact OE1-OG 3.17Å; W1013-S1017 PolarHBondContact O-N 3.05Å; I1014-S1017 PolarHBondContact O-N 3Å; S1017-E1019 VanDerWaalsContact C-N 3.34Å; S1017-E1019 PolarHBondContact O-N 3.27Å; S1017-I1020 WeakPolarHBondContact O-CB 3.32Å; S1017-I1020 PolarHBondContact O-N 3.09Å; S1017-I1021 WeakPolarHBondContact O-CG1 3.2Å; S1017-I1021 PolarHBondContact O-N 2.96Å
1018	C	72.6	Confident	66.2	Low	10 Å²	10	45.1 Å²	45.1	7%	0.068	24%	0.238	C	C	.	.	H	α-helix	trans	-57.6	-41.2	169	-83.7	0	0	0	0	113.3	L657 L666 L768 S1016 A1022	L657-C1018 WeakPolarHBondContact O-CB 3.45Å; L666-C1018 HydrophobicContact CD1-CB 4.15Å; L768-C1018 WeakPolarHBondContact CD1-SG 3.41Å; S1016-C1018 VanDerWaalsContact C-N 3.34Å; S1016-C1018 PolarHBondContact O-N 2.9Å; C1018-A1022 WeakPolarHBondContact O-CB 3.38Å; C1018-A1022 PolarHBondContact O-N 2.87Å
1019	E	75.3	Confident	68.2	Low	89 Å²	89	45.7 Å²	45.7	42%	0.416	24%	0.237	S	C	.	.	H	α-helix	trans	-68.4	-36.6	177.8	-55	-164.9	116.8	0	0	111.8	S1016 S1017 A1022 F1023 F1129	S1016-E1019 WeakPolarHBondContact CB-OE2 3.33Å; S1016-E1019 CarbonylContact O-C 3.59Å; S1016-E1019 WeakPolarHBondContact O-CA 3.31Å; S1016-E1019 WeakPolarHBondContact O-CB 3.39Å; S1016-E1019 PolarHBondContact O-N 3.35Å; S1017-E1019 VanDerWaalsContact C-N 3.34Å; S1017-E1019 PolarHBondContact O-N 3.27Å; E1019-A1022 PolarHBondContact O-N 3.17Å; E1019-F1023 WeakPolarHBondContact O-CB 3.45Å; E1019-F1023 PolarHBondContact O-N 3.44Å; E1019-F1129 HydrophobicContact CB-CE2 4.07Å; E1019-F1129 HydrophobicContact CB-CZ 3.99Å
1020	I	80.9	Confident	70.3	Confident	9 Å²	9	46 Å²	46	5%	0.046	24%	0.241	C	C	.	.	H	α-helix	trans	-64.9	-47.6	175.9	-71.8	155.8	0	0	0	110.1	W1013 S1016 S1017 F1023 R1024 F1125 F1129	W1013-I1020 HydrophobicContact CB-CD1 4.36Å; W1013-I1020 HydrophobicContact CD2-CD1 3.87Å; W1013-I1020 HydrophobicContact CE3-CD1 3.33Å; W1013-I1020 HydrophobicContact CE3-CG1 4.2Å; W1013-I1020 HydrophobicContact CG-CD1 4.33Å; W1013-I1020 HydrophobicContact CZ3-CD1 3.88Å; W1013-I1020 HydrophobicContact CZ3-CG1 4.29Å; W1013-I1020 HydrophobicContact CZ3-CG2 4.31Å; W1013-I1020 WeakPolarHBondContact O-CD1 3.32Å; S1016-I1020 WeakPolarHBondContact O-CD1 3.32Å; S1016-I1020 WeakPolarHBondContact O-CG1 3.33Å; S1016-I1020 PolarHBondContact O-N 2.73Å; S1017-I1020 WeakPolarHBondContact O-CB 3.32Å; S1017-I1020 PolarHBondContact O-N 3.09Å; I1020-F1023 PolarHBondContact O-N 3.16Å; I1020-R1024 WeakPolarHBondContact O-CB 3.44Å; I1020-R1024 VanDerWaalsContact O-CG 3.26Å; I1020-R1024 WeakPolarHBondContact O-CG 3.18Å; I1020-R1024 PolarHBondContact O-N 3.26Å; I1020-F1125 HydrophobicContact CG1-CE1 4.42Å; I1020-F1125 HydrophobicContact CG2-CE1 4.23Å; I1020-F1125 HydrophobicContact CG2-CZ 3.97Å; I1020-F1129 HydrophobicContact CG1-CE2 4.27Å; I1020-F1129 HydrophobicContact CG1-CZ 4.24Å
1021	I	81.6	Confident	72.1	Confident	6 Å²	6	45 Å²	45	3%	0.031	24%	0.243	C	C	.	.	H	α-helix	trans	-61.5	-47.8	174.6	-66	164.7	0	0	0	110.3	D761 E764 S1017 F1023 R1024 K1025	D761-I1021 HydrophobicContact CB-CG1 4.14Å; D761-I1021 HydrophobicContact CB-CG2 4.19Å; E764-I1021 HydrophobicContact CB-CD1 3.99Å; E764-I1021 HydrophobicContact CG-CD1 3.98Å; S1017-I1021 WeakPolarHBondContact O-CG1 3.2Å; S1017-I1021 PolarHBondContact O-N 2.96Å; I1021-F1023 VanDerWaalsContact C-N 3.3Å; I1021-F1023 PolarHBondContact O-N 3.38Å; I1021-R1024 PolarHBondContact O-N 2.93Å; I1021-K1025 HydrophobicContact CG2-CD 4.15Å; I1021-K1025 WeakPolarHBondContact O-CB 3.42Å; I1021-K1025 WeakPolarHBondContact O-CG 3.32Å; I1021-K1025 PolarHBondContact O-N 3.4Å
1022	A	81.8	Confident	73.9	Confident	38 Å²	38	43.6 Å²	43.6	31%	0.314	23%	0.232	S	C	.	.	H	α-helix	trans	-60.9	-39	178	0	0	0	0	0	112.1	C1018 E1019 A1026	C1018-A1022 WeakPolarHBondContact O-CB 3.38Å; C1018-A1022 PolarHBondContact O-N 2.87Å; E1019-A1022 PolarHBondContact O-N 3.17Å; A1022-A1026 VanDerWaalsContact O-CB 3.3Å; A1022-A1026 WeakPolarHBondContact O-CB 3.48Å; A1022-A1026 PolarHBondContact O-N 2.87Å
1023	F	84.8	Confident	75.5	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-69.5	-45.9	176.8	-177.8	-134.8	0	0	0	112.1	E1019 I1020 I1021 K1025 A1026 L1027 F1036 F1125 L1128 F1129 W1132	E1019-F1023 WeakPolarHBondContact O-CB 3.45Å; E1019-F1023 PolarHBondContact O-N 3.44Å; I1020-F1023 PolarHBondContact O-N 3.16Å; I1021-F1023 VanDerWaalsContact C-N 3.3Å; I1021-F1023 PolarHBondContact O-N 3.38Å; F1023-K1025 VanDerWaalsContact C-N 3.32Å; F1023-K1025 PolarHBondContact O-N 3Å; F1023-A1026 CarbonylContact O-C 3.57Å; F1023-A1026 PolarHBondContact O-N 3.22Å; F1023-A1026 VanDerWaalsContact O-N 3.1Å; F1023-L1027 HydrophobicContact CD1-CD1 4.24Å; F1023-L1027 HydrophobicContact CD2-CD1 4.35Å; F1023-L1027 HydrophobicContact CD2-CG 4.06Å; F1023-L1027 HydrophobicContact CE1-CD1 3.83Å; F1023-L1027 HydrophobicContact CE2-CD1 3.96Å; F1023-L1027 HydrophobicContact CE2-CD2 3.79Å; F1023-L1027 HydrophobicContact CE2-CG 3.75Å; F1023-L1027 HydrophobicContact CG-CD1 4.49Å; F1023-L1027 HydrophobicContact CZ-CD1 3.68Å; F1023-L1027 HydrophobicContact CZ-CD2 4.05Å; F1023-L1027 HydrophobicContact CZ-CG 4.01Å; F1023-L1027 WeakPolarHBondContact O-CG 3.38Å; F1023-L1027 PolarHBondContact O-N 3.37Å; F1023-F1036 HydrophobicContact CE2-CD1 4.04Å; F1023-F1036 AromaticContact CE2-CE1 3.48Å; F1023-F1036 HydrophobicContact CE2-CE1 3.48Å; F1023-F1036 VanDerWaalsContact CE2-CE1 3.48Å; F1023-F1036 AromaticContact CE2-CZ 3.83Å; F1023-F1036 HydrophobicContact CE2-CZ 3.83Å; F1023-F1036 AromaticContact CZ-CE1 3.69Å; F1023-F1036 HydrophobicContact CZ-CE1 3.69Å; F1023-F1036 HydrophobicContact CZ-CZ 4.04Å; F1023-F1125 HydrophobicContact CD1-CD2 4.14Å; F1023-F1125 HydrophobicContact CD1-CE1 4.23Å; F1023-F1125 AromaticContact CD1-CE2 3.44Å; F1023-F1125 HydrophobicContact CD1-CE2 3.44Å; F1023-F1125 VanDerWaalsContact CD1-CE2 3.44Å; F1023-F1125 AromaticContact CD1-CZ 3.5Å; F1023-F1125 HydrophobicContact CD1-CZ 3.5Å; F1023-F1125 AromaticContact CE1-CD2 3.97Å; F1023-F1125 HydrophobicContact CE1-CD2 3.97Å; F1023-F1125 AromaticContact CE1-CE2 3.75Å; F1023-F1125 HydrophobicContact CE1-CE2 3.75Å; F1023-F1125 HydrophobicContact CE1-CZ 4.1Å; F1023-F1125 HydrophobicContact CG-CE2 4.48Å; F1023-L1128 HydrophobicContact CE1-CB 4.3Å; F1023-L1128 HydrophobicContact CZ-CB 3.87Å; F1023-F1129 HydrophobicContact CB-CD2 4.3Å; F1023-F1129 HydrophobicContact CB-CE2 4.42Å; F1023-F1129 HydrophobicContact CD1-CB 4.25Å; F1023-F1129 AromaticContact CD1-CD2 3.59Å; F1023-F1129 HydrophobicContact CD1-CD2 3.59Å; F1023-F1129 HydrophobicContact CD1-CE2 4.48Å; F1023-F1129 HydrophobicContact CD1-CG 4.4Å; F1023-F1129 HydrophobicContact CE1-CB 3.96Å; F1023-F1129 HydrophobicContact CE1-CD2 4.14Å; F1023-F1129 HydrophobicContact CG-CD2 4.1Å; F1023-W1132 HydrophobicContact CB-CD2 4.24Å; F1023-W1132 HydrophobicContact CB-CG 4.22Å; F1023-W1132 HydrophobicContact CD2-CB 4Å; F1023-W1132 AromaticContact CD2-CD2 3.32Å; F1023-W1132 HydrophobicContact CD2-CD2 3.32Å; F1023-W1132 AromaticContact CD2-CE2 3.85Å; F1023-W1132 AromaticContact CD2-CE3 3.43Å; F1023-W1132 HydrophobicContact CD2-CE3 3.43Å; F1023-W1132 VanDerWaalsContact CD2-CE3 3.43Å; F1023-W1132 AromaticContact CD2-CG 3.58Å; F1023-W1132 HydrophobicContact CD2-CG 3.58Å; F1023-W1132 HydrophobicContact CD2-CZ2 4.43Å; F1023-W1132 HydrophobicContact CD2-CZ3 4.06Å; F1023-W1132 HydrophobicContact CE2-CB 4.04Å; F1023-W1132 AromaticContact CE2-CD2 3.92Å; F1023-W1132 HydrophobicContact CE2-CD2 3.92Å; F1023-W1132 AromaticContact CE2-CE3 3.7Å; F1023-W1132 HydrophobicContact CE2-CE3 3.7Å; F1023-W1132 HydrophobicContact CE2-CG 4.08Å; F1023-W1132 HydrophobicContact CE2-CZ3 4.45Å; F1023-W1132 HydrophobicContact CG-CB 4.41Å; F1023-W1132 HydrophobicContact CG-CD2 4.05Å; F1023-W1132 AromaticContact CG-CG 3.97Å; F1023-W1132 HydrophobicContact CG-CG 3.97Å; F1023-W1132 HydrophobicContact CZ-CB 4.47Å
1024	R	84.4	Confident	77.2	Confident	14 Å²	14	41 Å²	41	5%	0.053	22%	0.218	C	C	.	.	H	α-helix	trans	-54.2	-48.4	172.5	-73.1	168.7	177	-179.7	-4.2	110.9	E757 D761 I1020 I1021 A1026 L1027 L1028 W1054 F1125	E757-R1024 VanDerWaalsContact CG-NH2 3.34Å; E757-R1024 VanDerWaalsContact O-CZ 3.28Å; E757-R1024 PolarHBondContact O-NH1 3.47Å; E757-R1024 PolarHBondContact O-NH2 3.33Å; D761-R1024 IonicContact OD1-NH1 3.34Å; D761-R1024 PolarHBondContact OD1-NH1 3.1Å; D761-R1024 WeakPolarHBondContact OD2-CD 3.45Å; D761-R1024 IonicContact OD2-CZ 3.37Å; D761-R1024 IonicContact OD2-NE 3.98Å; D761-R1024 IonicContact OD2-NH1 3.97Å; D761-R1024 PolarHBondContact OD2-NH1 3.4Å; I1020-R1024 WeakPolarHBondContact O-CB 3.44Å; I1020-R1024 VanDerWaalsContact O-CG 3.26Å; I1020-R1024 WeakPolarHBondContact O-CG 3.18Å; I1020-R1024 PolarHBondContact O-N 3.26Å; I1021-R1024 PolarHBondContact O-N 2.93Å; R1024-A1026 PolarHBondContact O-N 2.86Å; R1024-L1027 PolarHBondContact O-N 3.13Å; R1024-L1028 WeakPolarHBondContact O-CG 3.24Å; R1024-L1028 PolarHBondContact O-N 3.37Å; R1024-W1054 HydrophobicContact CG-CZ2 4.23Å; R1024-F1125 HydrophobicContact CG-CE2 3.81Å; R1024-F1125 HydrophobicContact CG-CZ 4.06Å
1025	K	84	Confident	78.6	Confident	78 Å²	78	40.1 Å²	40.1	34%	0.339	21%	0.213	S	C	.	.	H	α-helix	trans	-61.2	-40.3	175.3	-71.6	-179.3	178.3	-163.2	0	112.8	E765 I1021 F1023 L1028 N1029	E765-K1025 IonicContact OE1-NZ 3.73Å; E765-K1025 PolarHBondContact OE1-NZ 3.08Å; E765-K1025 IonicContact OE2-NZ 3.22Å; E765-K1025 PolarHBondContact OE2-NZ 3.39Å; I1021-K1025 HydrophobicContact CG2-CD 4.15Å; I1021-K1025 WeakPolarHBondContact O-CB 3.42Å; I1021-K1025 WeakPolarHBondContact O-CG 3.32Å; I1021-K1025 PolarHBondContact O-N 3.4Å; F1023-K1025 VanDerWaalsContact C-N 3.32Å; F1023-K1025 PolarHBondContact O-N 3Å; K1025-L1028 PolarHBondContact O-N 2.91Å; K1025-N1029 WeakPolarHBondContact O-CB 3.5Å; K1025-N1029 PolarHBondContact O-N 3.04Å
1026	A	83.7	Confident	80.2	Confident	13 Å²	13	38.9 Å²	38.9	11%	0.107	20%	0.204	C	C	.	.	H	α-helix	trans	-69.5	-30.3	177.5	0	0	0	0	0	113.6	A1022 F1023 R1024 T1032 S1033 W1132	A1022-A1026 VanDerWaalsContact O-CB 3.3Å; A1022-A1026 WeakPolarHBondContact O-CB 3.48Å; A1022-A1026 PolarHBondContact O-N 2.87Å; F1023-A1026 CarbonylContact O-C 3.57Å; F1023-A1026 PolarHBondContact O-N 3.22Å; F1023-A1026 VanDerWaalsContact O-N 3.1Å; R1024-A1026 PolarHBondContact O-N 2.86Å; A1026-T1032 PolarHBondContact O-OG1 3.39Å; A1026-S1033 PolarHBondContact O-N 3.39Å; A1026-W1132 HydrophobicContact CB-CH2 3.23Å; A1026-W1132 HydrophobicContact CB-CZ2 3.86Å; A1026-W1132 HydrophobicContact CB-CZ3 3.83Å
1027	L	84.5	Confident	81.3	Confident	3 Å²	3	40 Å²	40	2%	0.016	21%	0.208	C	C	.	.	H	α-helix	trans	-74.9	-31.3	172.6	-69.3	178	0	0	0	112.7	F1023 R1024 S1033 F1036 L1051 W1054 F1125	F1023-L1027 HydrophobicContact CD1-CD1 4.24Å; F1023-L1027 HydrophobicContact CD2-CD1 4.35Å; F1023-L1027 HydrophobicContact CD2-CG 4.06Å; F1023-L1027 HydrophobicContact CE1-CD1 3.83Å; F1023-L1027 HydrophobicContact CE2-CD1 3.96Å; F1023-L1027 HydrophobicContact CE2-CD2 3.79Å; F1023-L1027 HydrophobicContact CE2-CG 3.75Å; F1023-L1027 HydrophobicContact CG-CD1 4.49Å; F1023-L1027 HydrophobicContact CZ-CD1 3.68Å; F1023-L1027 HydrophobicContact CZ-CD2 4.05Å; F1023-L1027 HydrophobicContact CZ-CG 4.01Å; F1023-L1027 WeakPolarHBondContact O-CG 3.38Å; F1023-L1027 PolarHBondContact O-N 3.37Å; R1024-L1027 PolarHBondContact O-N 3.13Å; L1027-S1033 WeakPolarHBondContact O-CB 3.27Å; L1027-S1033 PolarHBondContact O-OG 3.47Å; L1027-F1036 HydrophobicContact CD2-CD1 3.75Å; L1027-F1036 HydrophobicContact CD2-CE1 4.06Å; L1027-L1051 HydrophobicContact CD2-CD1 3.77Å; L1027-L1051 HydrophobicContact CD2-CG 4.22Å; L1027-W1054 HydrophobicContact CB-CE3 3.81Å; L1027-W1054 HydrophobicContact CB-CH2 3.84Å; L1027-W1054 HydrophobicContact CB-CZ3 3.33Å; L1027-W1054 HydrophobicContact CD1-CD2 3.83Å; L1027-W1054 HydrophobicContact CD1-CE3 3.77Å; L1027-W1054 HydrophobicContact CD1-CG 4.49Å; L1027-W1054 HydrophobicContact CD1-CH2 4.04Å; L1027-W1054 HydrophobicContact CD1-CZ2 4.11Å; L1027-W1054 HydrophobicContact CD1-CZ3 3.88Å; L1027-W1054 HydrophobicContact CG-CE3 4.4Å; L1027-W1054 HydrophobicContact CG-CZ3 4.27Å; L1027-F1125 HydrophobicContact CD1-CD2 4.42Å; L1027-F1125 HydrophobicContact CD1-CE2 4.4Å
1028	L	83.4	Confident	81.9	Confident	104 Å²	104	43.4 Å²	43.4	55%	0.545	22%	0.22	S	C	.	.	H	α-helix	trans	-76.9	-32.5	174.6	-69.1	170.7	0	0	0	112.8	R1024 K1025 W1054 Q1058	R1024-L1028 WeakPolarHBondContact O-CG 3.24Å; R1024-L1028 PolarHBondContact O-N 3.37Å; K1025-L1028 PolarHBondContact O-N 2.91Å; L1028-W1054 HydrophobicContact CD2-CH2 4.36Å; L1028-W1054 HydrophobicContact CD2-CZ3 4.2Å; L1028-W1054 HydrophobicContact CG-CH2 4.2Å; L1028-W1054 HydrophobicContact CG-CZ3 4.29Å; L1028-Q1058 HydrophobicContact CD2-CB 4.4Å; L1028-Q1058 HydrophobicContact CD2-CG 4.31Å
1029	N	84.9	Confident	82.4	Confident	74 Å²	74	43.5 Å²	43.5	40%	0.396	22%	0.22	S	C	.	.	S	Bend	trans	-70.5	120.7	175.8	171.8	-17.9	0	0	0	110.8	K1025 V1031 T1032 S1033	K1025-N1029 WeakPolarHBondContact O-CB 3.5Å; K1025-N1029 PolarHBondContact O-N 3.04Å; N1029-V1031 VanDerWaalsContact C-N 3.25Å; N1029-V1031 PolarHBondContact O-N 2.88Å; N1029-V1031 VanDerWaalsContact O-N 3.16Å; N1029-V1031 PolarHBondContact OD1-N 3.19Å; N1029-T1032 WeakPolarHBondContact CB-OG1 3.39Å; N1029-T1032 PolarHBondContact O-OG1 2.94Å; N1029-S1033 WeakPolarHBondContact O-CB 3.29Å; N1029-S1033 PolarHBondContact O-N 3.05Å
1030	P	82.3	Confident	82.7	Confident	85 Å²	85	39.3 Å²	39.3	55%	0.552	20%	0.2	S	C	*	.	H	α-helix	trans	-67.9	-18	-171.6	28	-36.4	0	0	0	114.6	R1034	P1030-R1034 WeakPolarHBondContact O-CD 3.31Å; P1030-R1034 WeakPolarHBondContact O-CG 3.38Å
1031	V	78.9	Confident	82.7	Confident	93 Å²	93	39.6 Å²	39.6	56%	0.564	20%	0.204	S	C	*	.	H	α-helix	trans	-82.9	-56.2	177.9	-178.1	0	0	0	0	110.2	N1029 S1033 R1034 Q1035	N1029-V1031 VanDerWaalsContact C-N 3.25Å; N1029-V1031 PolarHBondContact O-N 2.88Å; N1029-V1031 VanDerWaalsContact O-N 3.16Å; N1029-V1031 PolarHBondContact OD1-N 3.19Å; V1031-S1033 VanDerWaalsContact C-N 3.32Å; V1031-S1033 PolarHBondContact O-N 2.8Å; V1031-R1034 PolarHBondContact O-N 3.21Å; V1031-Q1035 PolarHBondContact O-N 3.37Å
1032	T	81.3	Confident	82.5	Confident	12 Å²	12	41 Å²	41	7%	0.074	21%	0.211	C	C	.	.	H	α-helix	trans	-65.2	-35.6	-179.9	47.1	0	0	0	0	112.1	A1026 N1029 R1034 Q1035 F1036	A1026-T1032 PolarHBondContact O-OG1 3.39Å; N1029-T1032 WeakPolarHBondContact CB-OG1 3.39Å; N1029-T1032 PolarHBondContact O-OG1 2.94Å; T1032-R1034 PolarHBondContact O-N 3.05Å; T1032-Q1035 PolarHBondContact O-N 2.84Å; T1032-F1036 WeakPolarHBondContact O-CB 2.86Å; T1032-F1036 PolarHBondContact O-N 2.71Å
1033	S	84.5	Confident	82	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.007	22%	0.218	C	C	.	.	H	α-helix	trans	-66.1	-36.4	177.3	-156.4	0	0	0	0	111.8	A1026 L1027 N1029 V1031 Q1037 Q1055	A1026-S1033 PolarHBondContact O-N 3.39Å; L1027-S1033 WeakPolarHBondContact O-CB 3.27Å; L1027-S1033 PolarHBondContact O-OG 3.47Å; N1029-S1033 WeakPolarHBondContact O-CB 3.29Å; N1029-S1033 PolarHBondContact O-N 3.05Å; V1031-S1033 VanDerWaalsContact C-N 3.32Å; V1031-S1033 PolarHBondContact O-N 2.8Å; S1033-Q1037 VanDerWaalsContact O-CB 3.24Å; S1033-Q1037 WeakPolarHBondContact O-CB 3.36Å; S1033-Q1037 PolarHBondContact O-N 3.23Å; S1033-Q1055 PolarHBondContact OG-NE2 3.39Å
1034	R	82.1	Confident	81.3	Confident	165 Å²	165	45.1 Å²	45.1	62%	0.623	23%	0.228	S	C	*	.	H	α-helix	trans	-69.5	-42.3	172.6	-75.3	173.5	-174.6	-179.5	2.1	112.9	P1030 V1031 T1032 F1036 Q1037 R1038	P1030-R1034 WeakPolarHBondContact O-CD 3.31Å; P1030-R1034 WeakPolarHBondContact O-CG 3.38Å; V1031-R1034 PolarHBondContact O-N 3.21Å; T1032-R1034 PolarHBondContact O-N 3.05Å; R1034-F1036 VanDerWaalsContact C-N 3.33Å; R1034-Q1037 PolarHBondContact O-N 3.47Å; R1034-R1038 WeakPolarHBondContact O-CG 3.33Å; R1034-R1038 PolarHBondContact O-N 3.17Å
1035	Q	81.6	Confident	80.5	Confident	4 Å²	4	49.9 Å²	49.9	2%	0.019	26%	0.255	C	S	.	.	H	α-helix	trans	-59.7	-45.6	173.6	-70.1	172.6	-27.5	0	0	110.6	V1031 T1032 R1038 F1039 F1135 D1144 I1147 M1148 L1151	V1031-Q1035 PolarHBondContact O-N 3.37Å; T1032-Q1035 PolarHBondContact O-N 2.84Å; Q1035-R1038 PolarHBondContact O-N 2.91Å; Q1035-F1039 PolarHBondContact O-N 3.04Å; Q1035-F1135 HydrophobicContact CB-CE2 3.95Å; Q1035-F1135 HydrophobicContact CB-CZ 3.66Å; Q1035-D1144 PolarHBondContact NE2-O 2.97Å; Q1035-D1144 PolarHBondContact NE2-OD1 3.2Å; Q1035-I1147 HydrophobicContact CB-CG2 4.17Å; Q1035-I1147 HydrophobicContact CG-CG2 3.97Å; Q1035-M1148 HydrophobicContact CB-SD 4.4Å; Q1035-M1148 HydrophobicContact CG-CG 4.23Å; Q1035-M1148 HydrophobicContact CG-SD 3.85Å; Q1035-L1151 WeakPolarHBondContact O-CD1 3.44Å
1036	F	83.7	Confident	80	Confident	1 Å²	1	48.5 Å²	48.5	0%	0.004	25%	0.251	C	S	.	.	H	α-helix	trans	-68.1	-41.4	179.1	-174.3	-120.9	0	0	0	112.1	F1023 L1027 T1032 R1034 R1038 F1039 V1040 L1051 L1128 F1131 W1132 F1135	F1023-F1036 HydrophobicContact CE2-CD1 4.04Å; F1023-F1036 AromaticContact CE2-CE1 3.48Å; F1023-F1036 HydrophobicContact CE2-CE1 3.48Å; F1023-F1036 VanDerWaalsContact CE2-CE1 3.48Å; F1023-F1036 AromaticContact CE2-CZ 3.83Å; F1023-F1036 HydrophobicContact CE2-CZ 3.83Å; F1023-F1036 AromaticContact CZ-CE1 3.69Å; F1023-F1036 HydrophobicContact CZ-CE1 3.69Å; F1023-F1036 HydrophobicContact CZ-CZ 4.04Å; L1027-F1036 HydrophobicContact CD2-CD1 3.75Å; L1027-F1036 HydrophobicContact CD2-CE1 4.06Å; T1032-F1036 WeakPolarHBondContact O-CB 2.86Å; T1032-F1036 PolarHBondContact O-N 2.71Å; R1034-F1036 VanDerWaalsContact C-N 3.33Å; F1036-R1038 VanDerWaalsContact C-N 3.34Å; F1036-R1038 PolarHBondContact O-N 3.32Å; F1036-F1039 HydrophobicContact CD2-CD1 4.3Å; F1036-F1039 HydrophobicContact CE2-CD1 4.32Å; F1036-F1039 WeakPolarHBondContact O-CB 3.32Å; F1036-F1039 PolarHBondContact O-N 3.47Å; F1036-F1039 VanDerWaalsContact O-N 3.14Å; F1036-V1040 HydrophobicContact CD1-CG2 4.12Å; F1036-V1040 HydrophobicContact CD2-CG2 3.88Å; F1036-V1040 HydrophobicContact CE1-CG2 3.77Å; F1036-V1040 HydrophobicContact CE2-CG2 3.55Å; F1036-V1040 HydrophobicContact CG-CG2 4.16Å; F1036-V1040 HydrophobicContact CZ-CG2 3.49Å; F1036-V1040 VanDerWaalsContact CZ-CG2 3.49Å; F1036-V1040 VanDerWaalsContact O-CB 3.31Å; F1036-V1040 WeakPolarHBondContact O-CB 3.49Å; F1036-V1040 VanDerWaalsContact O-CG2 3.26Å; F1036-V1040 WeakPolarHBondContact O-CG2 3.45Å; F1036-V1040 PolarHBondContact O-N 2.93Å; F1036-L1051 HydrophobicContact CD1-CD1 3.52Å; F1036-L1051 HydrophobicContact CE1-CD1 4.15Å; F1036-L1051 HydrophobicContact CG-CD1 4.44Å; F1036-L1128 HydrophobicContact CE1-CB 4.38Å; F1036-F1131 HydrophobicContact CE2-CB 4.31Å; F1036-F1131 HydrophobicContact CZ-CB 4.34Å; F1036-W1132 HydrophobicContact CD2-CE3 4.29Å; F1036-W1132 HydrophobicContact CE2-CE3 4.27Å; F1036-F1135 HydrophobicContact CB-CD1 4.45Å; F1036-F1135 HydrophobicContact CB-CD2 4.5Å; F1036-F1135 HydrophobicContact CB-CE1 4.27Å; F1036-F1135 HydrophobicContact CB-CE2 4.32Å; F1036-F1135 HydrophobicContact CB-CZ 4.2Å; F1036-F1135 HydrophobicContact CD2-CB 3.68Å; F1036-F1135 AromaticContact CD2-CD1 3.91Å; F1036-F1135 HydrophobicContact CD2-CD1 3.91Å; F1036-F1135 AromaticContact CD2-CD2 3.93Å; F1036-F1135 HydrophobicContact CD2-CD2 3.93Å; F1036-F1135 AromaticContact CD2-CG 3.56Å; F1036-F1135 HydrophobicContact CD2-CG 3.56Å; F1036-F1135 HydrophobicContact CE2-CB 3.87Å; F1036-F1135 HydrophobicContact CE2-CG 4.26Å; F1036-F1135 HydrophobicContact CG-CG 4.49Å
1037	Q	83.4	Confident	79.8	Confident	32 Å²	32	48.5 Å²	48.5	15%	0.15	25%	0.249	C	C	.	.	H	α-helix	trans	-52.7	-49.8	171.1	-176.6	-175	-11.3	0	0	111.5	S1033 R1034 F1039 V1040 A1041 E1048 L1051	S1033-Q1037 VanDerWaalsContact O-CB 3.24Å; S1033-Q1037 WeakPolarHBondContact O-CB 3.36Å; S1033-Q1037 PolarHBondContact O-N 3.23Å; R1034-Q1037 PolarHBondContact O-N 3.47Å; Q1037-F1039 PolarHBondContact O-N 3.49Å; Q1037-V1040 PolarHBondContact O-N 2.78Å; Q1037-A1041 WeakPolarHBondContact O-CB 3.47Å; Q1037-A1041 PolarHBondContact O-N 3.42Å; Q1037-E1048 HydrophobicContact CG-CG 3.86Å; Q1037-E1048 PolarHBondContact NE2-OE1 2.8Å; Q1037-L1051 HydrophobicContact CB-CD1 4.14Å; Q1037-L1051 HydrophobicContact CB-CD2 4.01Å; Q1037-L1051 HydrophobicContact CG-CD2 4.22Å
1038	R	80.2	Confident	79.7	Confident	80 Å²	80	50.5 Å²	50.5	30%	0.302	26%	0.258	S	S	.	.	H	α-helix	trans	-64.4	-35.3	177.5	-72	-73	-179.5	-137.2	-17	113.1	R1034 Q1035 F1036 L1042 M1148 L1151	R1034-R1038 WeakPolarHBondContact O-CG 3.33Å; R1034-R1038 PolarHBondContact O-N 3.17Å; Q1035-R1038 PolarHBondContact O-N 2.91Å; F1036-R1038 VanDerWaalsContact C-N 3.34Å; F1036-R1038 PolarHBondContact O-N 3.32Å; R1038-L1042 WeakPolarHBondContact O-CG 3.44Å; R1038-M1148 HydrophobicContact CG-CE 4.05Å; R1038-M1148 HydrophobicContact CG-SD 4.5Å; R1038-L1151 HydrophobicContact CB-CB 4.15Å; R1038-L1151 HydrophobicContact CB-CD1 3.95Å
1039	F	82.6	Confident	79.7	Confident	13 Å²	13	47.2 Å²	47.2	6%	0.057	24%	0.241	C	C	.	.	H	α-helix	trans	-68.7	-44.4	174.7	175.4	-93.7	0	0	0	112.3	Q1035 F1036 Q1037 L1042 F1131 Q1134 F1135 F1138 L1151	Q1035-F1039 PolarHBondContact O-N 3.04Å; F1036-F1039 HydrophobicContact CD2-CD1 4.3Å; F1036-F1039 HydrophobicContact CE2-CD1 4.32Å; F1036-F1039 WeakPolarHBondContact O-CB 3.32Å; F1036-F1039 PolarHBondContact O-N 3.47Å; F1036-F1039 VanDerWaalsContact O-N 3.14Å; Q1037-F1039 PolarHBondContact O-N 3.49Å; F1039-L1042 WeakPolarHBondContact O-CB 3.34Å; F1039-L1042 PolarHBondContact O-N 2.98Å; F1039-F1131 HydrophobicContact CE1-CB 4.43Å; F1039-Q1134 HydrophobicContact CE1-CB 4.32Å; F1039-Q1134 HydrophobicContact CZ-CB 3.89Å; F1039-F1135 HydrophobicContact CB-CD2 3.75Å; F1039-F1135 HydrophobicContact CB-CE2 4.19Å; F1039-F1135 HydrophobicContact CD1-CB 3.96Å; F1039-F1135 HydrophobicContact CD1-CD2 4.06Å; F1039-F1135 HydrophobicContact CD1-CG 4.46Å; F1039-F1135 HydrophobicContact CD2-CD2 4.1Å; F1039-F1135 HydrophobicContact CE1-CB 3.89Å; F1039-F1135 HydrophobicContact CG-CB 4.41Å; F1039-F1135 AromaticContact CG-CD2 3.73Å; F1039-F1135 HydrophobicContact CG-CD2 3.73Å; F1039-F1135 HydrophobicContact CZ-CB 4.29Å; F1039-F1138 AromaticContact CD2-CD1 3.91Å; F1039-F1138 HydrophobicContact CD2-CD1 3.91Å; F1039-F1138 HydrophobicContact CD2-CE1 4.35Å; F1039-F1138 HydrophobicContact CD2-CG 4.24Å; F1039-F1138 HydrophobicContact CE2-CB 4.03Å; F1039-F1138 HydrophobicContact CE2-CD1 4.21Å; F1039-F1138 HydrophobicContact CE2-CG 4.07Å; F1039-L1151 HydrophobicContact CB-CD1 4.2Å; F1039-L1151 HydrophobicContact CB-CD2 4.03Å; F1039-L1151 HydrophobicContact CD2-CD2 4.15Å
1040	V	82	Confident	79.7	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-67.1	-37.5	-179.4	167.5	0	0	0	0	111.6	F1036 Q1037 L1042 K1043 G1044 L1047 L1128	F1036-V1040 HydrophobicContact CD1-CG2 4.12Å; F1036-V1040 HydrophobicContact CD2-CG2 3.88Å; F1036-V1040 HydrophobicContact CE1-CG2 3.77Å; F1036-V1040 HydrophobicContact CE2-CG2 3.55Å; F1036-V1040 HydrophobicContact CG-CG2 4.16Å; F1036-V1040 HydrophobicContact CZ-CG2 3.49Å; F1036-V1040 VanDerWaalsContact CZ-CG2 3.49Å; F1036-V1040 VanDerWaalsContact O-CB 3.31Å; F1036-V1040 WeakPolarHBondContact O-CB 3.49Å; F1036-V1040 VanDerWaalsContact O-CG2 3.26Å; F1036-V1040 WeakPolarHBondContact O-CG2 3.45Å; F1036-V1040 PolarHBondContact O-N 2.93Å; Q1037-V1040 PolarHBondContact O-N 2.78Å; V1040-L1042 PolarHBondContact O-N 3.06Å; V1040-K1043 WeakPolarHBondContact O-CB 3.44Å; V1040-K1043 PolarHBondContact O-N 3.44Å; V1040-G1044 PolarHBondContact O-N 3.46Å; V1040-L1047 HydrophobicContact CG1-CB 3.2Å; V1040-L1047 HydrophobicContact CG1-CD1 4.22Å; V1040-L1047 HydrophobicContact CG1-CG 4.33Å; V1040-L1128 HydrophobicContact CG1-CD2 4.11Å
1041	A	81.4	Confident	79.8	Confident	16 Å²	16	39.8 Å²	39.8	13%	0.132	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-8.9	172.8	0	0	0	0	0	114.7	Q1037 E1048	Q1037-A1041 WeakPolarHBondContact O-CB 3.47Å; Q1037-A1041 PolarHBondContact O-N 3.42Å; A1041-E1048 HydrophobicContact CB-CB 4.22Å; A1041-E1048 VanDerWaalsContact CB-OE2 3.25Å; A1041-E1048 WeakPolarHBondContact CB-OE2 3.45Å
1042	L	76.6	Confident	80.1	Confident	34 Å²	34	38.1 Å²	38.1	18%	0.178	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-8.3	170.9	-57.6	173.7	0	0	0	113.3	R1038 F1039 V1040 L1151 R1154 Q1155	R1038-L1042 WeakPolarHBondContact O-CG 3.44Å; F1039-L1042 WeakPolarHBondContact O-CB 3.34Å; F1039-L1042 PolarHBondContact O-N 2.98Å; V1040-L1042 PolarHBondContact O-N 3.06Å; L1042-L1151 HydrophobicContact CD1-CD2 3.63Å; L1042-R1154 HydrophobicContact CD1-CB 4.05Å; L1042-R1154 HydrophobicContact CD1-CG 3.94Å; L1042-R1154 HydrophobicContact CD2-CB 4.38Å; L1042-R1154 HydrophobicContact CD2-CG 4.32Å; L1042-Q1155 HydrophobicContact CD2-CB 3.83Å; L1042-Q1155 HydrophobicContact CD2-CG 4.2Å
1043	K	72.2	Confident	80.5	Confident	104 Å²	104	37.5 Å²	37.5	45%	0.452	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	-32.2	-172.2	-64.3	-81.5	-178.7	155	0	113.1	V1040 L1047 F1131	V1040-K1043 WeakPolarHBondContact O-CB 3.44Å; V1040-K1043 PolarHBondContact O-N 3.44Å; K1043-L1047 HydrophobicContact CB-CD1 4.21Å; K1043-F1131 HydrophobicContact CB-CD1 4.46Å; K1043-F1131 HydrophobicContact CB-CE1 4.12Å; K1043-F1131 HydrophobicContact CB-CZ 4.5Å; K1043-F1131 HydrophobicContact CD-CD1 4.26Å; K1043-F1131 HydrophobicContact CD-CE1 4.16Å; K1043-F1131 HydrophobicContact CG-CD1 4.21Å; K1043-F1131 HydrophobicContact CG-CE1 4.25Å
1044	G	69.1	Low	80.7	Confident	21 Å²	21	37.6 Å²	37.6	22%	0.216	18%	0.182	C	C	.	.			trans	-170.5	143.9	178.7	0	0	0	0	0	112.4	V1040 L1046 L1047	V1040-G1044 PolarHBondContact O-N 3.46Å; G1044-L1046 PolarHBondContact O-N 3.21Å; G1044-L1047 PolarHBondContact O-N 2.76Å
1045	D	67.3	Low	81	Confident	115 Å²	115	31.9 Å²	31.9	62%	0.615	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-26.1	-166	-66.7	-8.2	0	0	0	113.8	K1162	D1045-K1162 IonicContact OD1-NZ 2.75Å; D1045-K1162 PolarHBondContact OD1-NZ 3.28Å; D1045-K1162 IonicContact OD2-NZ 3.52Å; D1045-K1162 PolarHBondContact OD2-NZ 3.32Å
1046	L	74.1	Confident	81.3	Confident	49 Å²	49	33.8 Å²	33.8	26%	0.257	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-11.5	177.2	-59	177.7	0	0	0	113.3	G1044 N1049 G1050	G1044-L1046 PolarHBondContact O-N 3.21Å; L1046-N1049 WeakPolarHBondContact O-CB 3.25Å; L1046-N1049 PolarHBondContact O-N 3.36Å; L1046-G1050 PolarHBondContact O-N 3.39Å
1047	L	79.1	Confident	81.5	Confident	13 Å²	13	33.8 Å²	33.8	7%	0.068	17%	0.171	C	C	.	.	H	α-helix	trans	-73.8	-29.7	-175.3	-60.2	171.8	0	0	0	112.7	V1040 K1043 G1044 G1050 L1051 D1096 V1127 F1131	V1040-L1047 HydrophobicContact CG1-CB 3.2Å; V1040-L1047 HydrophobicContact CG1-CD1 4.22Å; V1040-L1047 HydrophobicContact CG1-CG 4.33Å; K1043-L1047 HydrophobicContact CB-CD1 4.21Å; G1044-L1047 PolarHBondContact O-N 2.76Å; L1047-G1050 PolarHBondContact O-N 3.31Å; L1047-L1051 PolarHBondContact O-N 3.12Å; L1047-D1096 WeakPolarHBondContact CD2-OD2 3.47Å; L1047-V1127 HydrophobicContact CD2-CG1 3.42Å; L1047-V1127 VanDerWaalsContact CD2-CG1 3.42Å; L1047-F1131 HydrophobicContact CD1-CD2 4.41Å; L1047-F1131 HydrophobicContact CD1-CE2 3.7Å; L1047-F1131 HydrophobicContact CD1-CZ 3.98Å; L1047-F1131 HydrophobicContact CD2-CE2 4.31Å
1048	E	83	Confident	81.6	Confident	44 Å²	44	32.7 Å²	32.7	21%	0.206	17%	0.166	C	C	.	.	H	α-helix	trans	-62.6	-44.5	172.1	174.8	158.8	-157.9	0	0	110.6	Q1037 A1041 G1050 L1051 L1052	Q1037-E1048 HydrophobicContact CG-CG 3.86Å; Q1037-E1048 PolarHBondContact NE2-OE1 2.8Å; A1041-E1048 HydrophobicContact CB-CB 4.22Å; A1041-E1048 VanDerWaalsContact CB-OE2 3.25Å; A1041-E1048 WeakPolarHBondContact CB-OE2 3.45Å; E1048-G1050 VanDerWaalsContact C-N 3.3Å; E1048-G1050 PolarHBondContact O-N 3.46Å; E1048-L1051 PolarHBondContact O-N 2.96Å; E1048-L1052 WeakPolarHBondContact O-CG 3.24Å; E1048-L1052 PolarHBondContact O-N 3.26Å; E1048-L1052 VanDerWaalsContact O-N 3.17Å
1049	N	83.3	Confident	82	Confident	35 Å²	35	33.7 Å²	33.7	19%	0.187	17%	0.173	C	C	.	.	H	α-helix	trans	-63.1	-35	172.7	-67.1	-19.2	0	0	0	112.2	L1046 L1051 L1052 F1053 F1084 Q1094 I1095	L1046-N1049 WeakPolarHBondContact O-CB 3.25Å; L1046-N1049 PolarHBondContact O-N 3.36Å; N1049-L1051 VanDerWaalsContact C-N 3.35Å; N1049-L1051 PolarHBondContact O-N 2.8Å; N1049-L1052 PolarHBondContact O-N 3.39Å; N1049-F1053 WeakPolarHBondContact O-CB 3.35Å; N1049-F1053 PolarHBondContact O-N 2.8Å; N1049-F1084 HydrophobicContact CB-CD1 4.45Å; N1049-F1084 HydrophobicContact CB-CE1 4.46Å; N1049-Q1094 WeakPolarHBondContact CB-O 3.42Å; N1049-Q1094 PolarHBondContact ND2-O 2.61Å; N1049-Q1094 PolarHBondContact ND2-OE1 3.42Å; N1049-I1095 HydrophobicContact CB-CG2 3.96Å
1050	G	84.2	Confident	82.2	Confident	4 Å²	4	33.2 Å²	33.2	4%	0.041	17%	0.17	C	C	.	.	H	α-helix	trans	-58.7	-43.8	174.7	0	0	0	0	0	112.9	L1046 L1047 E1048 F1053 W1054 I1124	L1046-G1050 PolarHBondContact O-N 3.39Å; L1047-G1050 PolarHBondContact O-N 3.31Å; E1048-G1050 VanDerWaalsContact C-N 3.3Å; E1048-G1050 PolarHBondContact O-N 3.46Å; G1050-F1053 PolarHBondContact O-N 3.23Å; G1050-W1054 PolarHBondContact O-N 2.75Å; G1050-I1124 WeakPolarHBondContact O-CG2 3.44Å
1051	L	85.8	Confident	82.4	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-66.4	-41.9	175.7	-178.5	148.1	0	0	0	111.9	L1027 F1036 Q1037 L1047 E1048 N1049 W1054 Q1055 L1128	L1027-L1051 HydrophobicContact CD2-CD1 3.77Å; L1027-L1051 HydrophobicContact CD2-CG 4.22Å; F1036-L1051 HydrophobicContact CD1-CD1 3.52Å; F1036-L1051 HydrophobicContact CE1-CD1 4.15Å; F1036-L1051 HydrophobicContact CG-CD1 4.44Å; Q1037-L1051 HydrophobicContact CB-CD1 4.14Å; Q1037-L1051 HydrophobicContact CB-CD2 4.01Å; Q1037-L1051 HydrophobicContact CG-CD2 4.22Å; L1047-L1051 PolarHBondContact O-N 3.12Å; E1048-L1051 PolarHBondContact O-N 2.96Å; N1049-L1051 VanDerWaalsContact C-N 3.35Å; N1049-L1051 PolarHBondContact O-N 2.8Å; L1051-W1054 PolarHBondContact O-N 3.04Å; L1051-Q1055 HydrophobicContact CD2-CG 4.42Å; L1051-Q1055 WeakPolarHBondContact O-CG 3.15Å; L1051-Q1055 PolarHBondContact O-N 3.24Å; L1051-L1128 HydrophobicContact CB-CD1 4.23Å
1052	L	85.1	Confident	82.6	Confident	57 Å²	57	36.2 Å²	36.2	30%	0.298	18%	0.184	S	C	.	.	H	α-helix	trans	-64.3	-42	176.5	-66.4	173.1	0	0	0	111.9	E1048 N1049 Q1055 E1056 F1084	E1048-L1052 WeakPolarHBondContact O-CG 3.24Å; E1048-L1052 PolarHBondContact O-N 3.26Å; E1048-L1052 VanDerWaalsContact O-N 3.17Å; N1049-L1052 PolarHBondContact O-N 3.39Å; L1052-Q1055 PolarHBondContact O-N 3.31Å; L1052-E1056 WeakPolarHBondContact O-CB 3.2Å; L1052-E1056 PolarHBondContact O-N 3.45Å; L1052-F1084 HydrophobicContact CB-CE1 4.05Å; L1052-F1084 HydrophobicContact CB-CZ 4.03Å
1053	F	88.8	Confident	82.9	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-59.3	-47.1	172.6	173.2	-92.3	0	0	0	111.2	N1049 G1050 Q1055 E1056 V1057 I1080 F1084 I1095 F1117 A1120 I1124	N1049-F1053 WeakPolarHBondContact O-CB 3.35Å; N1049-F1053 PolarHBondContact O-N 2.8Å; G1050-F1053 PolarHBondContact O-N 3.23Å; F1053-Q1055 PolarHBondContact O-N 3.09Å; F1053-E1056 PolarHBondContact O-N 3.35Å; F1053-E1056 VanDerWaalsContact O-N 3.12Å; F1053-V1057 HydrophobicContact CD1-CG2 4.08Å; F1053-V1057 HydrophobicContact CD2-CG2 4.3Å; F1053-V1057 HydrophobicContact CE1-CG2 3.67Å; F1053-V1057 HydrophobicContact CE2-CG2 3.92Å; F1053-V1057 HydrophobicContact CG-CG2 4.39Å; F1053-V1057 HydrophobicContact CZ-CG2 3.59Å; F1053-V1057 WeakPolarHBondContact O-CG2 3.18Å; F1053-V1057 PolarHBondContact O-N 2.88Å; F1053-I1080 HydrophobicContact CD2-CG2 3.93Å; F1053-I1080 HydrophobicContact CE2-CG2 3.62Å; F1053-F1084 HydrophobicContact CB-CD1 3.95Å; F1053-F1084 HydrophobicContact CB-CD2 4.29Å; F1053-F1084 HydrophobicContact CB-CE1 4.02Å; F1053-F1084 HydrophobicContact CB-CE2 4.36Å; F1053-F1084 HydrophobicContact CB-CG 4.09Å; F1053-F1084 HydrophobicContact CB-CZ 4.22Å; F1053-F1084 HydrophobicContact CD2-CB 3.87Å; F1053-F1084 AromaticContact CD2-CD2 3.82Å; F1053-F1084 HydrophobicContact CD2-CD2 3.82Å; F1053-F1084 HydrophobicContact CD2-CE2 4.48Å; F1053-F1084 AromaticContact CD2-CG 3.85Å; F1053-F1084 HydrophobicContact CD2-CG 3.85Å; F1053-F1084 HydrophobicContact CG-CG 4.46Å; F1053-I1095 HydrophobicContact CB-CD1 4.31Å; F1053-I1095 HydrophobicContact CB-CG2 4.3Å; F1053-I1095 HydrophobicContact CD1-CD1 4.32Å; F1053-I1095 HydrophobicContact CD2-CD1 3.64Å; F1053-I1095 HydrophobicContact CE2-CD1 3.95Å; F1053-I1095 HydrophobicContact CG-CD1 3.83Å; F1053-I1095 HydrophobicContact CZ-CD1 4.42Å; F1053-F1117 HydrophobicContact CE2-CD1 4.1Å; F1053-F1117 HydrophobicContact CZ-CB 4.16Å; F1053-F1117 AromaticContact CZ-CD1 3.97Å; F1053-F1117 HydrophobicContact CZ-CD1 3.97Å; F1053-F1117 HydrophobicContact CZ-CG 4.3Å; F1053-A1120 HydrophobicContact CE1-CB 3.97Å; F1053-A1120 HydrophobicContact CZ-CB 3.74Å; F1053-I1124 HydrophobicContact CB-CD1 4.42Å; F1053-I1124 HydrophobicContact CD1-CD1 3.35Å; F1053-I1124 HydrophobicContact CE1-CD1 3.75Å; F1053-I1124 HydrophobicContact CG-CD1 4.02Å
1054	W	88.9	Confident	83.3	Confident	3 Å²	3	32 Å²	32	1%	0.011	17%	0.167	C	C	.	.	H	α-helix	trans	-60.4	-44.3	179.1	-172.2	95	0	0	0	111.9	R1024 L1027 L1028 G1050 L1051 E1056 V1057 Q1058 Q1121 F1125	R1024-W1054 HydrophobicContact CG-CZ2 4.23Å; L1027-W1054 HydrophobicContact CB-CE3 3.81Å; L1027-W1054 HydrophobicContact CB-CH2 3.84Å; L1027-W1054 HydrophobicContact CB-CZ3 3.33Å; L1027-W1054 HydrophobicContact CD1-CD2 3.83Å; L1027-W1054 HydrophobicContact CD1-CE3 3.77Å; L1027-W1054 HydrophobicContact CD1-CG 4.49Å; L1027-W1054 HydrophobicContact CD1-CH2 4.04Å; L1027-W1054 HydrophobicContact CD1-CZ2 4.11Å; L1027-W1054 HydrophobicContact CD1-CZ3 3.88Å; L1027-W1054 HydrophobicContact CG-CE3 4.4Å; L1027-W1054 HydrophobicContact CG-CZ3 4.27Å; L1028-W1054 HydrophobicContact CD2-CH2 4.36Å; L1028-W1054 HydrophobicContact CD2-CZ3 4.2Å; L1028-W1054 HydrophobicContact CG-CH2 4.2Å; L1028-W1054 HydrophobicContact CG-CZ3 4.29Å; G1050-W1054 PolarHBondContact O-N 2.75Å; L1051-W1054 PolarHBondContact O-N 3.04Å; W1054-E1056 VanDerWaalsContact C-N 3.34Å; W1054-E1056 PolarHBondContact O-N 3.13Å; W1054-V1057 PolarHBondContact O-N 3.34Å; W1054-Q1058 HydrophobicContact CD2-CG 4.15Å; W1054-Q1058 HydrophobicContact CE3-CG 3.87Å; W1054-Q1058 HydrophobicContact CH2-CG 3.7Å; W1054-Q1058 HydrophobicContact CZ2-CG 3.96Å; W1054-Q1058 VanDerWaalsContact CZ2-NE2 3.32Å; W1054-Q1058 HydrophobicContact CZ3-CG 3.63Å; W1054-Q1058 WeakPolarHBondContact O-CG 3.49Å; W1054-Q1058 PolarHBondContact O-N 2.91Å; W1054-Q1121 VanDerWaalsContact CD1-CG 3.44Å; W1054-Q1121 HydrophobicContact CG-CG 4.4Å; W1054-F1125 HydrophobicContact CZ2-CD2 4.42Å; W1054-F1125 HydrophobicContact CZ2-CE2 4.43Å; W1054-F1125 AromaticContact NE1-CD2 3.52Å
1055	Q	87.9	Confident	83.9	Confident	44 Å²	44	32.2 Å²	32.2	21%	0.206	16%	0.162	C	C	.	.	H	α-helix	trans	-61.1	-40.4	173.6	-71.2	-177.8	7.4	0	0	112.5	S1033 L1051 L1052 F1053 Q1058 K1059	S1033-Q1055 PolarHBondContact OG-NE2 3.39Å; L1051-Q1055 HydrophobicContact CD2-CG 4.42Å; L1051-Q1055 WeakPolarHBondContact O-CG 3.15Å; L1051-Q1055 PolarHBondContact O-N 3.24Å; L1052-Q1055 PolarHBondContact O-N 3.31Å; F1053-Q1055 PolarHBondContact O-N 3.09Å; Q1055-Q1058 PolarHBondContact O-N 3.4Å; Q1055-K1059 WeakPolarHBondContact O-CG 3.22Å; Q1055-K1059 PolarHBondContact O-N 3.48Å; Q1055-K1059 VanDerWaalsContact O-N 3.11Å
1056	E	88.8	Confident	84.4	Confident	44 Å²	44	30 Å²	30	21%	0.206	16%	0.156	C	C	.	.	H	α-helix	trans	-72.6	-32.3	-177.8	-159.5	63.6	-163.9	0	0	112.3	L1052 F1053 W1054 K1059 Y1060 K1076 I1080 F1084	L1052-E1056 WeakPolarHBondContact O-CB 3.2Å; L1052-E1056 PolarHBondContact O-N 3.45Å; F1053-E1056 PolarHBondContact O-N 3.35Å; F1053-E1056 VanDerWaalsContact O-N 3.12Å; W1054-E1056 VanDerWaalsContact C-N 3.34Å; W1054-E1056 PolarHBondContact O-N 3.13Å; E1056-K1059 PolarHBondContact O-N 3.26Å; E1056-K1059 WeakPolarHBondContact OE2-CD 3.5Å; E1056-K1059 WeakPolarHBondContact OE2-CE 3.3Å; E1056-K1059 IonicContact OE2-NZ 3.21Å; E1056-K1059 PolarHBondContact OE2-NZ 3.04Å; E1056-Y1060 PolarHBondContact O-N 3.45Å; E1056-K1076 IonicContact OE1-NZ 2.84Å; E1056-K1076 PolarHBondContact OE1-NZ 3.42Å; E1056-I1080 HydrophobicContact CG-CD1 4.22Å; E1056-I1080 HydrophobicContact CG-CG1 3.9Å; E1056-F1084 HydrophobicContact CB-CE2 4.32Å; E1056-F1084 HydrophobicContact CG-CE2 4.49Å
1057	V	87.3	Confident	84.1	Confident	2 Å²	2	35.1 Å²	35.1	1%	0.012	18%	0.178	C	C	.	.	H	α-helix	trans	-66.7	-40	169.4	174.4	0	0	0	0	111.2	F1053 W1054 K1059 Y1060 K1061 F1117 Q1121	F1053-V1057 HydrophobicContact CD1-CG2 4.08Å; F1053-V1057 HydrophobicContact CD2-CG2 4.3Å; F1053-V1057 HydrophobicContact CE1-CG2 3.67Å; F1053-V1057 HydrophobicContact CE2-CG2 3.92Å; F1053-V1057 HydrophobicContact CG-CG2 4.39Å; F1053-V1057 HydrophobicContact CZ-CG2 3.59Å; F1053-V1057 WeakPolarHBondContact O-CG2 3.18Å; F1053-V1057 PolarHBondContact O-N 2.88Å; W1054-V1057 PolarHBondContact O-N 3.34Å; V1057-K1059 PolarHBondContact O-N 3.01Å; V1057-Y1060 CarbonylContact O-C 3.57Å; V1057-Y1060 WeakPolarHBondContact O-CA 3.28Å; V1057-Y1060 WeakPolarHBondContact O-CB 3.33Å; V1057-Y1060 PolarHBondContact O-N 3.33Å; V1057-K1061 PolarHBondContact O-N 3.22Å; V1057-F1117 HydrophobicContact CG1-CB 3.98Å; V1057-F1117 HydrophobicContact CG2-CB 3.76Å; V1057-F1117 HydrophobicContact CG2-CD2 4.22Å; V1057-F1117 HydrophobicContact CG2-CG 4Å; V1057-Q1121 HydrophobicContact CG1-CB 4.35Å; V1057-Q1121 VanDerWaalsContact CG1-CD 3.5Å; V1057-Q1121 HydrophobicContact CG1-CG 4.2Å; V1057-Q1121 VanDerWaalsContact CG1-OE1 3.29Å
1058	Q	86.8	Confident	83.7	Confident	9 Å²	9	36.9 Å²	36.9	4%	0.042	19%	0.191	C	C	.	.	H	α-helix	trans	-62	-43	174	-66	-63.6	54.7	0	0	112	D758 L1028 W1054 Q1055 Y1060 K1061 D1062	D758-Q1058 PolarHBondContact OD2-NE2 3.03Å; D758-Q1058 PolarHBondContact OD2-OE1 2.95Å; L1028-Q1058 HydrophobicContact CD2-CB 4.4Å; L1028-Q1058 HydrophobicContact CD2-CG 4.31Å; W1054-Q1058 HydrophobicContact CD2-CG 4.15Å; W1054-Q1058 HydrophobicContact CE3-CG 3.87Å; W1054-Q1058 HydrophobicContact CH2-CG 3.7Å; W1054-Q1058 HydrophobicContact CZ2-CG 3.96Å; W1054-Q1058 VanDerWaalsContact CZ2-NE2 3.32Å; W1054-Q1058 HydrophobicContact CZ3-CG 3.63Å; W1054-Q1058 WeakPolarHBondContact O-CG 3.49Å; W1054-Q1058 PolarHBondContact O-N 2.91Å; Q1055-Q1058 PolarHBondContact O-N 3.4Å; Q1058-Y1060 PolarHBondContact O-N 2.94Å; Q1058-K1061 WeakPolarHBondContact O-CB 3.21Å; Q1058-K1061 PolarHBondContact O-N 3.29Å; Q1058-K1061 VanDerWaalsContact O-N 3.09Å; Q1058-K1061 VanDerWaalsContact OE1-NZ 3.07Å; Q1058-D1062 PolarHBondContact O-N 3.41Å
1059	K	87	Confident	83.5	Confident	101 Å²	101	40.4 Å²	40.4	44%	0.439	21%	0.211	S	C	.	.	H	α-helix	trans	-62.1	-28.8	172.5	-63.7	170.8	-144.4	159.7	0	112.9	Q1055 E1056 V1057 L1063	Q1055-K1059 WeakPolarHBondContact O-CG 3.22Å; Q1055-K1059 PolarHBondContact O-N 3.48Å; Q1055-K1059 VanDerWaalsContact O-N 3.11Å; E1056-K1059 PolarHBondContact O-N 3.26Å; E1056-K1059 WeakPolarHBondContact OE2-CD 3.5Å; E1056-K1059 WeakPolarHBondContact OE2-CE 3.3Å; E1056-K1059 IonicContact OE2-NZ 3.21Å; E1056-K1059 PolarHBondContact OE2-NZ 3.04Å; V1057-K1059 PolarHBondContact O-N 3.01Å; K1059-L1063 WeakPolarHBondContact O-CB 3.45Å; K1059-L1063 PolarHBondContact O-N 2.99Å; K1059-L1063 VanDerWaalsContact O-N 3.16Å
1060	Y	86.8	Confident	83.2	Confident	3 Å²	3	45 Å²	45	1%	0.012	23%	0.231	C	C	.	.	H	α-helix	trans	-73	-37.9	173	159.3	-91.5	0	0	0	111.9	E1056 V1057 Q1058 L1063 C1064 I1073 K1076 I1077 I1080 G1113 F1117	E1056-Y1060 PolarHBondContact O-N 3.45Å; V1057-Y1060 CarbonylContact O-C 3.57Å; V1057-Y1060 WeakPolarHBondContact O-CA 3.28Å; V1057-Y1060 WeakPolarHBondContact O-CB 3.33Å; V1057-Y1060 PolarHBondContact O-N 3.33Å; Q1058-Y1060 PolarHBondContact O-N 2.94Å; Y1060-L1063 WeakPolarHBondContact O-CB 3.41Å; Y1060-L1063 PolarHBondContact O-N 3.1Å; Y1060-C1064 PolarHBondContact O-N 3.43Å; Y1060-C1064 PolarHBondContact O-SG 2.8Å; Y1060-C1064 VanDerWaalsContact O-SG 3.41Å; Y1060-I1073 HydrophobicContact CE2-CG2 3.79Å; Y1060-K1076 HydrophobicContact CD2-CG 4Å; Y1060-I1077 HydrophobicContact CD2-CG1 4.25Å; Y1060-I1077 HydrophobicContact CE2-CD1 3.93Å; Y1060-I1077 HydrophobicContact CE2-CG1 3.53Å; Y1060-I1080 HydrophobicContact CG-CD1 4.44Å; Y1060-G1113 PolarHBondContact OH-O 3.16Å; Y1060-F1117 HydrophobicContact CD1-CD2 4.03Å; Y1060-F1117 HydrophobicContact CE1-CD2 4.02Å; Y1060-F1117 HydrophobicContact CG-CD2 4.45Å
1061	K	87.1	Confident	83	Confident	7 Å²	7	47.6 Å²	47.6	3%	0.03	25%	0.249	C	C	.	.	H	α-helix	trans	-61.6	-46.9	172.1	-66	-170.6	-168.7	174.7	0	112	F756 E757 D758 V1057 Q1058 L1063 C1064 H1065	F756-K1061 HydrophobicContact CB-CD 3.99Å; F756-K1061 HydrophobicContact CD1-CD 3.68Å; F756-K1061 HydrophobicContact CD1-CG 4.07Å; F756-K1061 HydrophobicContact CD2-CB 3.92Å; F756-K1061 HydrophobicContact CD2-CD 3.76Å; F756-K1061 HydrophobicContact CD2-CG 4.07Å; F756-K1061 HydrophobicContact CE1-CB 4.46Å; F756-K1061 HydrophobicContact CE1-CD 3.99Å; F756-K1061 HydrophobicContact CE1-CG 3.83Å; F756-K1061 HydrophobicContact CE2-CB 3.54Å; F756-K1061 HydrophobicContact CE2-CD 4.05Å; F756-K1061 HydrophobicContact CE2-CG 3.82Å; F756-K1061 HydrophobicContact CG-CD 3.55Å; F756-K1061 HydrophobicContact CG-CG 4.18Å; F756-K1061 HydrophobicContact CZ-CB 3.84Å; F756-K1061 HydrophobicContact CZ-CD 4.16Å; F756-K1061 HydrophobicContact CZ-CG 3.68Å; E757-K1061 IonicContact OE1-NZ 3.9Å; E757-K1061 PolarHBondContact OE1-NZ 2.87Å; E757-K1061 IonicContact OE2-NZ 3.04Å; E757-K1061 PolarHBondContact OE2-NZ 3.36Å; D758-K1061 IonicContact OD1-NZ 2.65Å; D758-K1061 IonicContact OD2-NZ 3.59Å; D758-K1061 PolarHBondContact OD2-NZ 3.48Å; V1057-K1061 PolarHBondContact O-N 3.22Å; Q1058-K1061 WeakPolarHBondContact O-CB 3.21Å; Q1058-K1061 PolarHBondContact O-N 3.29Å; Q1058-K1061 VanDerWaalsContact O-N 3.09Å; Q1058-K1061 VanDerWaalsContact OE1-NZ 3.07Å; K1061-L1063 VanDerWaalsContact C-N 3.27Å; K1061-L1063 PolarHBondContact O-N 3.47Å; K1061-C1064 WeakPolarHBondContact O-CA 3.41Å; K1061-C1064 WeakPolarHBondContact O-CB 3.34Å; K1061-C1064 PolarHBondContact O-N 3.45Å; K1061-H1065 PolarHBondContact O-N 3.41Å
1062	D	84.9	Confident	82.9	Confident	72 Å²	72	50.3 Å²	50.3	39%	0.385	27%	0.266	S	S	.	.	H	α-helix	trans	-60.4	-36.9	175.6	-72.1	-36.8	0	0	0	111.8	K751 Q1058 C1064 H1065 S1066	K751-D1062 IonicContact NZ-OD1 2.68Å; K751-D1062 PolarHBondContact NZ-OD1 3.07Å; Q1058-D1062 PolarHBondContact O-N 3.41Å; D1062-C1064 VanDerWaalsContact C-N 3.29Å; D1062-C1064 PolarHBondContact O-N 2.85Å; D1062-H1065 PolarHBondContact O-N 2.89Å; D1062-H1065 VanDerWaalsContact O-N 3.1Å; D1062-S1066 PolarHBondContact O-N 3.35Å
1063	L	84.3	Confident	82.8	Confident	35 Å²	35	48.9 Å²	48.9	18%	0.183	26%	0.258	C	S	.	.	H	α-helix	trans	-64.9	-29.8	173.6	-173.3	71.9	0	0	0	112.8	K1059 Y1060 K1061 S1066 C1068 I1073 K1076	K1059-L1063 WeakPolarHBondContact O-CB 3.45Å; K1059-L1063 PolarHBondContact O-N 2.99Å; K1059-L1063 VanDerWaalsContact O-N 3.16Å; Y1060-L1063 WeakPolarHBondContact O-CB 3.41Å; Y1060-L1063 PolarHBondContact O-N 3.1Å; K1061-L1063 VanDerWaalsContact C-N 3.27Å; K1061-L1063 PolarHBondContact O-N 3.47Å; L1063-S1066 WeakPolarHBondContact CA-OG 3.48Å; L1063-S1066 PolarHBondContact O-OG 3.06Å; L1063-C1068 HydrophobicContact CD1-CB 4Å; L1063-C1068 HydrophobicContact CG-CB 4.49Å; L1063-I1073 HydrophobicContact CD2-CG1 4.41Å; L1063-I1073 HydrophobicContact CG-CG1 4.48Å; L1063-K1076 HydrophobicContact CD2-CB 3.88Å; L1063-K1076 HydrophobicContact CD2-CG 3.88Å
1064	C	80.3	Confident	82.4	Confident	13 Å²	13	51 Å²	51	9%	0.088	27%	0.268	C	S	.	.	H	α-helix	trans	-73.7	-25.2	171.8	-67.3	0	0	0	0	113	P754 F756 Y1060 K1061 D1062	P754-C1064 HydrophobicContact CG-CB 3.91Å; F756-C1064 HydrophobicContact CZ-CB 4.47Å; Y1060-C1064 PolarHBondContact O-N 3.43Å; Y1060-C1064 PolarHBondContact O-SG 2.8Å; Y1060-C1064 VanDerWaalsContact O-SG 3.41Å; K1061-C1064 WeakPolarHBondContact O-CA 3.41Å; K1061-C1064 WeakPolarHBondContact O-CB 3.34Å; K1061-C1064 PolarHBondContact O-N 3.45Å; D1062-C1064 VanDerWaalsContact C-N 3.29Å; D1062-C1064 PolarHBondContact O-N 2.85Å
1065	H	81.4	Confident	82.2	Confident	26 Å²	26	57 Å²	57	12%	0.12	29%	0.294	C	S	.	.	H	α-helix	trans	-80.2	-28.2	172.1	-65.1	142.7	0	0	0	113.1	K751 P754 F756 K1061 D1062 H1067	K751-H1065 PolarHBondContact O-NE2 3.31Å; P754-H1065 PolarHBondContact O-NE2 2.88Å; F756-H1065 AromaticContact CD2-CE1 3.55Å; F756-H1065 AromaticContact CD2-NE2 3.66Å; F756-H1065 AromaticContact CE2-CE1 3.7Å; F756-H1065 AromaticContact CE2-NE2 3.63Å; K1061-H1065 PolarHBondContact O-N 3.41Å; D1062-H1065 PolarHBondContact O-N 2.89Å; D1062-H1065 VanDerWaalsContact O-N 3.1Å; H1065-H1067 PolarHBondContact O-N 2.89Å
1066	S	78.4	Confident	82.1	Confident	69 Å²	69	57 Å²	57	48%	0.483	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	11.8	179.7	63.3	0	0	0	0	114.9	D1062 L1063 C1068	D1062-S1066 PolarHBondContact O-N 3.35Å; L1063-S1066 WeakPolarHBondContact CA-OG 3.48Å; L1063-S1066 PolarHBondContact O-OG 3.06Å; S1066-C1068 PolarHBondContact O-N 3.5Å; S1066-C1068 VanDerWaalsContact O-N 3.07Å; S1066-C1068 PolarHBondContact OG-SG 3.38Å
1067	H	67.3	Low	82	Confident	157 Å²	157	55 Å²	55	73%	0.727	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	47	37.1	177.8	-62.4	-60.5	0	0	0	114.9	H1065	H1065-H1067 PolarHBondContact O-N 2.89Å
1068	C	71.6	Confident	81.8	Confident	49 Å²	49	57.8 Å²	57.8	33%	0.331	30%	0.301	S	S	.	.			trans	-71.9	155.9	178.8	-64.7	0	0	0	0	112.4	L1063 S1066 E1070	L1063-C1068 HydrophobicContact CD1-CB 4Å; L1063-C1068 HydrophobicContact CG-CB 4.49Å; S1066-C1068 PolarHBondContact O-N 3.5Å; S1066-C1068 VanDerWaalsContact O-N 3.07Å; S1066-C1068 PolarHBondContact OG-SG 3.38Å; C1068-E1070 PolarHBondContact O-N 2.92Å
1069	D	78.4	Confident	81.8	Confident	118 Å²	118	60.9 Å²	60.9	63%	0.631	32%	0.321	S	S	*	.			trans	-47.7	136.4	177.7	-65.3	-30.6	0	0	0	112.3	S1071 V1072 I1073	D1069-S1071 PolarHBondContact O-N 3.42Å; D1069-V1072 HydrophobicContact CB-CG2 4.14Å; D1069-V1072 WeakPolarHBondContact O-CA 3.47Å; D1069-V1072 WeakPolarHBondContact O-CB 3.41Å; D1069-V1072 PolarHBondContact O-N 2.87Å; D1069-I1073 PolarHBondContact O-N 2.65Å; D1069-I1073 VanDerWaalsContact O-N 3.16Å
1070	E	75.8	Confident	81.8	Confident	131 Å²	131	56.1 Å²	56.1	61%	0.612	30%	0.3	S	S	*	.	H	α-helix	trans	-54.5	-30.9	177.1	-170.3	169.6	-131.7	0	0	112.3	C1068 V1072 I1073 Q1074 L1112	C1068-E1070 PolarHBondContact O-N 2.92Å; E1070-V1072 VanDerWaalsContact C-N 3.35Å; E1070-V1072 PolarHBondContact O-N 2.83Å; E1070-I1073 PolarHBondContact O-N 3.15Å; E1070-Q1074 WeakPolarHBondContact O-CB 3.41Å; E1070-Q1074 PolarHBondContact O-N 2.68Å; E1070-L1112 HydrophobicContact CG-CD1 3.61Å; E1070-L1112 WeakPolarHBondContact OE1-CD1 3.42Å
1071	S	79.9	Confident	81.7	Confident	59 Å²	59	56.3 Å²	56.3	41%	0.413	30%	0.301	S	S	.	.	H	α-helix	trans	-66.7	-30	174	86.2	0	0	0	0	114.1	D1069 K1075	D1069-S1071 PolarHBondContact O-N 3.42Å; S1071-K1075 VanDerWaalsContact O-CD 3.28Å; S1071-K1075 WeakPolarHBondContact O-CD 3.4Å; S1071-K1075 WeakPolarHBondContact O-CG 3.23Å; S1071-K1075 PolarHBondContact O-N 3.29Å; S1071-K1075 VanDerWaalsContact O-N 3.09Å
1072	V	84	Confident	81.6	Confident	58 Å²	58	60.1 Å²	60.1	35%	0.352	32%	0.322	S	S	.	.	H	α-helix	trans	-78.5	-39.5	176.3	178.3	0	0	0	0	109.8	D1069 E1070 K1075 K1076	D1069-V1072 HydrophobicContact CB-CG2 4.14Å; D1069-V1072 WeakPolarHBondContact O-CA 3.47Å; D1069-V1072 WeakPolarHBondContact O-CB 3.41Å; D1069-V1072 PolarHBondContact O-N 2.87Å; E1070-V1072 VanDerWaalsContact C-N 3.35Å; E1070-V1072 PolarHBondContact O-N 2.83Å; V1072-K1075 PolarHBondContact O-N 3.47Å; V1072-K1076 WeakPolarHBondContact O-CB 3.41Å; V1072-K1076 PolarHBondContact O-N 3.34Å
1073	I	82.3	Confident	81.5	Confident	26 Å²	26	59.8 Å²	59.8	13%	0.133	33%	0.325	C	S	.	.	H	α-helix	trans	-62.1	-44.2	172.8	-59.4	178.5	0	0	0	110.2	Y1060 L1063 D1069 E1070 K1076 I1077	Y1060-I1073 HydrophobicContact CE2-CG2 3.79Å; L1063-I1073 HydrophobicContact CD2-CG1 4.41Å; L1063-I1073 HydrophobicContact CG-CG1 4.48Å; D1069-I1073 PolarHBondContact O-N 2.65Å; D1069-I1073 VanDerWaalsContact O-N 3.16Å; E1070-I1073 PolarHBondContact O-N 3.15Å; I1073-K1076 WeakPolarHBondContact O-CB 3.46Å; I1073-K1076 PolarHBondContact O-N 3.17Å; I1073-I1077 HydrophobicContact CG2-CD1 4.08Å; I1073-I1077 WeakPolarHBondContact O-CG1 3.22Å; I1073-I1077 PolarHBondContact O-N 3.05Å
1074	Q	80.9	Confident	81.5	Confident	45 Å²	45	59.3 Å²	59.3	21%	0.21	32%	0.321	C	S	.	.	H	α-helix	trans	-61.2	-43.4	173.7	-92.6	-67	-2.2	0	0	113.5	E1070 K1076 I1077 T1078 R1109 L1112	E1070-Q1074 WeakPolarHBondContact O-CB 3.41Å; E1070-Q1074 PolarHBondContact O-N 2.68Å; Q1074-K1076 VanDerWaalsContact C-N 3.32Å; Q1074-K1076 PolarHBondContact O-N 3.29Å; Q1074-I1077 PolarHBondContact O-N 2.81Å; Q1074-T1078 WeakPolarHBondContact O-CB 3.22Å; Q1074-T1078 PolarHBondContact O-N 3.27Å; Q1074-T1078 PolarHBondContact O-OG1 2.76Å; Q1074-R1109 PolarHBondContact NE2-O 3.19Å; Q1074-R1109 PolarHBondContact OE1-O 3.02Å; Q1074-L1112 HydrophobicContact CG-CD1 3.83Å; Q1074-L1112 HydrophobicContact CG-CD2 3.94Å; Q1074-L1112 HydrophobicContact CG-CG 4.32Å
1075	K	84.8	Confident	81.7	Confident	130 Å²	130	59 Å²	59	57%	0.565	32%	0.319	S	S	*	.	H	α-helix	trans	-59.2	-44	173.3	-73.8	160.4	-170.3	161.7	0	110.9	S1071 V1072 T1078 T1079	S1071-K1075 VanDerWaalsContact O-CD 3.28Å; S1071-K1075 WeakPolarHBondContact O-CD 3.4Å; S1071-K1075 WeakPolarHBondContact O-CG 3.23Å; S1071-K1075 PolarHBondContact O-N 3.29Å; S1071-K1075 VanDerWaalsContact O-N 3.09Å; V1072-K1075 PolarHBondContact O-N 3.47Å; K1075-T1078 PolarHBondContact O-N 2.95Å; K1075-T1079 PolarHBondContact O-N 3.41Å; K1075-T1079 PolarHBondContact O-OG1 2.86Å; K1075-T1079 VanDerWaalsContact O-OG1 3.05Å
1076	K	87.3	Confident	81.6	Confident	43 Å²	43	62 Å²	62	19%	0.187	34%	0.336	C	S	.	.	H	α-helix	trans	-61.5	-46.4	177.1	-173.3	66.3	162.2	-171.2	0	112.5	E1056 Y1060 L1063 V1072 I1073 Q1074 T1079 I1080	E1056-K1076 IonicContact OE1-NZ 2.84Å; E1056-K1076 PolarHBondContact OE1-NZ 3.42Å; Y1060-K1076 HydrophobicContact CD2-CG 4Å; L1063-K1076 HydrophobicContact CD2-CB 3.88Å; L1063-K1076 HydrophobicContact CD2-CG 3.88Å; V1072-K1076 WeakPolarHBondContact O-CB 3.41Å; V1072-K1076 PolarHBondContact O-N 3.34Å; I1073-K1076 WeakPolarHBondContact O-CB 3.46Å; I1073-K1076 PolarHBondContact O-N 3.17Å; Q1074-K1076 VanDerWaalsContact C-N 3.32Å; Q1074-K1076 PolarHBondContact O-N 3.29Å; K1076-T1079 PolarHBondContact O-N 2.68Å; K1076-I1080 HydrophobicContact CD-CD1 4.47Å; K1076-I1080 HydrophobicContact CG-CD1 4.18Å; K1076-I1080 WeakPolarHBondContact O-CG1 3.48Å; K1076-I1080 PolarHBondContact O-N 3.12Å
1077	I	85.1	Confident	81.9	Confident	1 Å²	1	59.4 Å²	59.4	1%	0.005	32%	0.318	C	S	.	.	H	α-helix	trans	-57.8	-49.1	174.8	-69.2	164.5	0	0	0	110.1	Y1060 I1073 Q1074 T1079 I1080 I1081 L1112 F1117	Y1060-I1077 HydrophobicContact CD2-CG1 4.25Å; Y1060-I1077 HydrophobicContact CE2-CD1 3.93Å; Y1060-I1077 HydrophobicContact CE2-CG1 3.53Å; I1073-I1077 HydrophobicContact CG2-CD1 4.08Å; I1073-I1077 WeakPolarHBondContact O-CG1 3.22Å; I1073-I1077 PolarHBondContact O-N 3.05Å; Q1074-I1077 PolarHBondContact O-N 2.81Å; I1077-T1079 PolarHBondContact O-N 3.47Å; I1077-I1080 PolarHBondContact O-N 3.34Å; I1077-I1081 HydrophobicContact CG2-CD1 3.81Å; I1077-I1081 WeakPolarHBondContact O-CG1 3.32Å; I1077-I1081 PolarHBondContact O-N 3.47Å; I1077-L1112 HydrophobicContact CD1-CD2 3.69Å; I1077-F1117 HydrophobicContact CB-CE2 4.43Å; I1077-F1117 HydrophobicContact CB-CZ 4.34Å; I1077-F1117 HydrophobicContact CG1-CE2 4.05Å; I1077-F1117 HydrophobicContact CG1-CZ 4.44Å; I1077-F1117 HydrophobicContact CG2-CE2 4.44Å; I1077-F1117 HydrophobicContact CG2-CZ 4Å
1078	T	84.5	Confident	82	Confident	61 Å²	61	57.8 Å²	57.8	37%	0.374	32%	0.324	S	S	.	.	H	α-helix	trans	-60.1	-42.6	178.8	-57.6	0	0	0	0	111.9	Q1074 K1075 I1081 N1082	Q1074-T1078 WeakPolarHBondContact O-CB 3.22Å; Q1074-T1078 PolarHBondContact O-N 3.27Å; Q1074-T1078 PolarHBondContact O-OG1 2.76Å; K1075-T1078 PolarHBondContact O-N 2.95Å; T1078-I1081 PolarHBondContact O-N 3.11Å; T1078-N1082 WeakPolarHBondContact O-CB 3.47Å; T1078-N1082 PolarHBondContact O-N 3.48Å; T1078-N1082 PolarHBondContact O-OD1 2.87Å
1079	T	85.9	Confident	82.1	Confident	74 Å²	74	60.6 Å²	60.6	45%	0.454	33%	0.334	S	S	.	.	H	α-helix	trans	-62.4	-45.5	175.1	-59.8	0	0	0	0	111.9	K1075 K1076 I1077 I1081 N1082 C1083	K1075-T1079 PolarHBondContact O-N 3.41Å; K1075-T1079 PolarHBondContact O-OG1 2.86Å; K1075-T1079 VanDerWaalsContact O-OG1 3.05Å; K1076-T1079 PolarHBondContact O-N 2.68Å; I1077-T1079 PolarHBondContact O-N 3.47Å; T1079-I1081 PolarHBondContact O-N 2.85Å; T1079-N1082 PolarHBondContact O-N 3.11Å; T1079-C1083 WeakPolarHBondContact O-CB 3.33Å; T1079-C1083 PolarHBondContact O-N 3.23Å; T1079-C1083 PolarHBondContact O-SG 3.47Å
1080	I	86.2	Confident	81.3	Confident	1 Å²	1	60.5 Å²	60.5	1%	0.005	34%	0.34	C	S	.	.	H	α-helix	trans	-62.3	-43.9	178.6	-68.3	167.5	0	0	0	110.8	F1053 E1056 Y1060 K1076 I1077 C1083 F1084 F1117	F1053-I1080 HydrophobicContact CD2-CG2 3.93Å; F1053-I1080 HydrophobicContact CE2-CG2 3.62Å; E1056-I1080 HydrophobicContact CG-CD1 4.22Å; E1056-I1080 HydrophobicContact CG-CG1 3.9Å; Y1060-I1080 HydrophobicContact CG-CD1 4.44Å; K1076-I1080 HydrophobicContact CD-CD1 4.47Å; K1076-I1080 HydrophobicContact CG-CD1 4.18Å; K1076-I1080 WeakPolarHBondContact O-CG1 3.48Å; K1076-I1080 PolarHBondContact O-N 3.12Å; I1077-I1080 PolarHBondContact O-N 3.34Å; I1080-C1083 PolarHBondContact O-N 3.05Å; I1080-F1084 HydrophobicContact CG2-CD2 4.22Å; I1080-F1084 WeakPolarHBondContact O-CD2 3.49Å; I1080-F1084 PolarHBondContact O-N 2.9Å; I1080-F1117 HydrophobicContact CB-CE1 4.28Å; I1080-F1117 HydrophobicContact CB-CE2 4.17Å; I1080-F1117 HydrophobicContact CB-CZ 3.71Å; I1080-F1117 HydrophobicContact CD1-CD2 4.39Å; I1080-F1117 HydrophobicContact CD1-CE2 3.81Å; I1080-F1117 HydrophobicContact CD1-CZ 4.27Å; I1080-F1117 HydrophobicContact CG2-CD1 4.18Å; I1080-F1117 HydrophobicContact CG2-CE1 3.6Å; I1080-F1117 HydrophobicContact CG2-CE2 4.02Å; I1080-F1117 HydrophobicContact CG2-CZ 3.51Å
1081	I	85.1	Confident	81.1	Confident	8 Å²	8	58 Å²	58	4%	0.041	34%	0.336	C	S	.	.	I	π-helix	trans	-60.2	-49.1	175.6	-67.9	170.5	0	0	0	110.6	I1077 T1078 T1079 C1083 F1084 I1085 N1086 I1105 I1106 R1109 F1117	I1077-I1081 HydrophobicContact CG2-CD1 3.81Å; I1077-I1081 WeakPolarHBondContact O-CG1 3.32Å; I1077-I1081 PolarHBondContact O-N 3.47Å; T1078-I1081 PolarHBondContact O-N 3.11Å; T1079-I1081 PolarHBondContact O-N 2.85Å; I1081-C1083 VanDerWaalsContact C-N 3.32Å; I1081-C1083 PolarHBondContact O-N 3.23Å; I1081-F1084 PolarHBondContact O-N 3.09Å; I1081-I1085 HydrophobicContact CG1-CD1 4.41Å; I1081-I1085 HydrophobicContact CG2-CB 4.43Å; I1081-I1085 PolarHBondContact O-N 3.06Å; I1081-N1086 HydrophobicContact CG2-CB 4.3Å; I1081-N1086 PolarHBondContact O-N 3.27Å; I1081-I1105 HydrophobicContact CD1-CG2 4.08Å; I1081-I1105 HydrophobicContact CG1-CG2 4.05Å; I1081-I1106 HydrophobicContact CG2-CG1 4.27Å; I1081-R1109 HydrophobicContact CD1-CB 4.03Å; I1081-F1117 HydrophobicContact CG1-CE1 4.13Å; I1081-F1117 HydrophobicContact CG1-CZ 4.29Å
1082	N	85.4	Confident	80.9	Confident	86 Å²	86	57.2 Å²	57.2	46%	0.46	33%	0.332	S	S	.	.	I	π-helix	trans	-69.8	-23.6	-177.5	-69.1	-5.3	0	0	0	113.9	T1078 T1079 S1087	T1078-N1082 WeakPolarHBondContact O-CB 3.47Å; T1078-N1082 PolarHBondContact O-N 3.48Å; T1078-N1082 PolarHBondContact O-OD1 2.87Å; T1079-N1082 PolarHBondContact O-N 3.11Å; N1082-S1087 WeakPolarHBondContact O-CA 3.35Å
1083	C	83.9	Confident	80.8	Confident	66 Å²	66	56.5 Å²	56.5	45%	0.446	33%	0.326	S	S	.	.	I	π-helix	trans	-83.9	-38.6	175.5	-70.4	0	0	0	0	112.6	T1079 I1080 I1081	T1079-C1083 WeakPolarHBondContact O-CB 3.33Å; T1079-C1083 PolarHBondContact O-N 3.23Å; T1079-C1083 PolarHBondContact O-SG 3.47Å; I1080-C1083 PolarHBondContact O-N 3.05Å; I1081-C1083 VanDerWaalsContact C-N 3.32Å; I1081-C1083 PolarHBondContact O-N 3.23Å
1084	F	83.5	Confident	80.8	Confident	24 Å²	24	56.6 Å²	56.6	11%	0.105	33%	0.326	C	S	.	.	I	π-helix	trans	-118.6	-30.7	-164.6	-63.6	-74.5	0	0	0	115.6	N1049 L1052 F1053 E1056 I1080 I1081 Q1094 I1095	N1049-F1084 HydrophobicContact CB-CD1 4.45Å; N1049-F1084 HydrophobicContact CB-CE1 4.46Å; L1052-F1084 HydrophobicContact CB-CE1 4.05Å; L1052-F1084 HydrophobicContact CB-CZ 4.03Å; F1053-F1084 HydrophobicContact CB-CD1 3.95Å; F1053-F1084 HydrophobicContact CB-CD2 4.29Å; F1053-F1084 HydrophobicContact CB-CE1 4.02Å; F1053-F1084 HydrophobicContact CB-CE2 4.36Å; F1053-F1084 HydrophobicContact CB-CG 4.09Å; F1053-F1084 HydrophobicContact CB-CZ 4.22Å; F1053-F1084 HydrophobicContact CD2-CB 3.87Å; F1053-F1084 AromaticContact CD2-CD2 3.82Å; F1053-F1084 HydrophobicContact CD2-CD2 3.82Å; F1053-F1084 HydrophobicContact CD2-CE2 4.48Å; F1053-F1084 AromaticContact CD2-CG 3.85Å; F1053-F1084 HydrophobicContact CD2-CG 3.85Å; F1053-F1084 HydrophobicContact CG-CG 4.46Å; E1056-F1084 HydrophobicContact CB-CE2 4.32Å; E1056-F1084 HydrophobicContact CG-CE2 4.49Å; I1080-F1084 HydrophobicContact CG2-CD2 4.22Å; I1080-F1084 WeakPolarHBondContact O-CD2 3.49Å; I1080-F1084 PolarHBondContact O-N 2.9Å; I1081-F1084 PolarHBondContact O-N 3.09Å; F1084-Q1094 PolarHBondContact O-N 3.41Å; F1084-I1095 HydrophobicContact CB-CD1 3.67Å; F1084-I1095 HydrophobicContact CB-CG1 4.14Å; F1084-I1095 WeakPolarHBondContact O-CG1 3.5Å
1085	I	83.4	Confident	80.9	Confident	7 Å²	7	54.6 Å²	54.6	4%	0.036	32%	0.317	C	S	.	.	I	π-helix	trans	-108.2	-38.1	-169.7	-57.4	178.5	0	0	0	111.7	I1081 A1092 L1093 I1095 A1102 I1105 I1106 F1117	I1081-I1085 HydrophobicContact CG1-CD1 4.41Å; I1081-I1085 HydrophobicContact CG2-CB 4.43Å; I1081-I1085 PolarHBondContact O-N 3.06Å; I1085-A1092 CarbonylContact C-O 3.6Å; I1085-L1093 HydrophobicContact CG2-CD1 4.49Å; I1085-I1095 HydrophobicContact CG1-CD1 4.21Å; I1085-A1102 HydrophobicContact CG2-CB 3.78Å; I1085-I1105 HydrophobicContact CD1-CB 4.3Å; I1085-I1105 HydrophobicContact CD1-CD1 4.11Å; I1085-I1105 HydrophobicContact CD1-CG2 3.69Å; I1085-I1106 HydrophobicContact CG2-CD1 4.1Å; I1085-I1106 HydrophobicContact CG2-CG1 4.19Å; I1085-F1117 HydrophobicContact CD1-CE1 4.25Å
1086	N	80.9	Confident	80.6	Confident	89 Å²	89	51.7 Å²	51.7	48%	0.476	31%	0.307	S	S	.	.	S	Bend	trans	-133.7	62	178.1	-173.8	45.5	0	0	0	109.9	I1081 I1106	I1081-N1086 HydrophobicContact CG2-CB 4.3Å; I1081-N1086 PolarHBondContact O-N 3.27Å; N1086-I1106 HydrophobicContact CB-CD1 4.25Å
1087	S	83	Confident	80.4	Confident	15 Å²	15	50.3 Å²	50.3	11%	0.105	30%	0.302	C	S	.	.			trans	-72.5	144.5	179	-172.5	0	0	0	0	112.3	N1082 I1089 A1092	N1082-S1087 WeakPolarHBondContact O-CA 3.35Å; S1087-I1089 PolarHBondContact O-N 3.27Å; S1087-I1089 PolarHBondContact OG-N 3.16Å; S1087-A1092 WeakPolarHBondContact CB-O 3.47Å; S1087-A1092 PolarHBondContact N-O 3.02Å; S1087-A1092 WeakPolarHBondContact O-CA 3.27Å; S1087-A1092 WeakPolarHBondContact O-CB 3.42Å
1088	S	70.6	Confident	80.2	Confident	122 Å²	122	52 Å²	52	85%	0.853	31%	0.313	S	S	*	.	S	Bend	trans	-71.5	-9.5	168.8	53.7	0	0	0	0	113.2
1089	I	73.4	Confident	79.8	Confident	109 Å²	109	53.5 Å²	53.5	56%	0.559	32%	0.322	S	S	*	.	S	Bend	trans	-96.5	119.1	175	-55.4	175.6	0	0	0	108.2	S1087 P1091 Q1094	S1087-I1089 PolarHBondContact O-N 3.27Å; S1087-I1089 PolarHBondContact OG-N 3.16Å; I1089-P1091 CarbonylContact O-C 3.55Å; I1089-P1091 VanDerWaalsContact O-C 3.24Å; I1089-Q1094 PolarHBondContact O-NE2 3.05Å
1090	P	61.3	Low	79.5	Confident	115 Å²	115	55.2 Å²	55.2	75%	0.747	33%	0.325	S	S	*	.	S	Bend	trans	-70.8	140.9	177.6	28.5	-33.7	0	0	0	111.6
1091	P	72.6	Confident	79.2	Confident	80 Å²	80	55.6 Å²	55.6	52%	0.519	33%	0.326	S	S	.	.	S	Bend	cis	-69	138.1	-5.7	30.4	-35.2	0	0	0	111.9	I1089 L1093 Q1094	I1089-P1091 CarbonylContact O-C 3.55Å; I1089-P1091 VanDerWaalsContact O-C 3.24Å; P1091-L1093 VanDerWaalsContact C-N 3.25Å; P1091-L1093 CarbonylContact O-C 3.42Å; P1091-L1093 PolarHBondContact O-N 3.36Å; P1091-Q1094 PolarHBondContact O-NE2 3.1Å
1092	A	75.1	Confident	79	Confident	41 Å²	41	55.6 Å²	55.6	34%	0.339	33%	0.328	S	S	.	.	S	Bend	trans	-61.5	-34.1	-174.4	0	0	0	0	0	112.9	I1085 S1087 Q1094	I1085-A1092 CarbonylContact C-O 3.6Å; S1087-A1092 WeakPolarHBondContact CB-O 3.47Å; S1087-A1092 PolarHBondContact N-O 3.02Å; S1087-A1092 WeakPolarHBondContact O-CA 3.27Å; S1087-A1092 WeakPolarHBondContact O-CB 3.42Å; A1092-Q1094 PolarHBondContact O-N 3.06Å
1093	L	82.4	Confident	78.7	Confident	43 Å²	43	56.5 Å²	56.5	23%	0.225	33%	0.329	C	S	.	.			trans	-81.9	108.3	166.5	-179.4	62.2	0	0	0	108.9	I1085 P1091 I1095 I1097 A1102	I1085-L1093 HydrophobicContact CG2-CD1 4.49Å; P1091-L1093 VanDerWaalsContact C-N 3.25Å; P1091-L1093 CarbonylContact O-C 3.42Å; P1091-L1093 PolarHBondContact O-N 3.36Å; L1093-I1095 HydrophobicContact CD1-CG1 4.06Å; L1093-I1095 WeakPolarHBondContact CG-O 3.5Å; L1093-I1097 WeakPolarHBondContact CD2-O 3.1Å; L1093-A1102 HydrophobicContact CD1-CB 4.26Å
1094	Q	81.3	Confident	78.5	Confident	29 Å²	29	57.5 Å²	57.5	14%	0.136	33%	0.326	C	S	.	.			trans	-94.6	9.1	-174.4	-70.5	-81	-32.9	0	0	113	N1049 F1084 I1089 P1091 A1092	N1049-Q1094 WeakPolarHBondContact CB-O 3.42Å; N1049-Q1094 PolarHBondContact ND2-O 2.61Å; N1049-Q1094 PolarHBondContact ND2-OE1 3.42Å; F1084-Q1094 PolarHBondContact O-N 3.41Å; I1089-Q1094 PolarHBondContact O-NE2 3.05Å; P1091-Q1094 PolarHBondContact O-NE2 3.1Å; A1092-Q1094 PolarHBondContact O-N 3.06Å
1095	I	82.8	Confident	78.4	Confident	2 Å²	2	56.9 Å²	56.9	1%	0.01	32%	0.323	C	S	.	.	S	Bend	trans	-144.6	147.8	-174.5	31.2	175.7	0	0	0	112.5	N1049 F1053 F1084 I1085 L1093 I1097 I1124	N1049-I1095 HydrophobicContact CB-CG2 3.96Å; F1053-I1095 HydrophobicContact CB-CD1 4.31Å; F1053-I1095 HydrophobicContact CB-CG2 4.3Å; F1053-I1095 HydrophobicContact CD1-CD1 4.32Å; F1053-I1095 HydrophobicContact CD2-CD1 3.64Å; F1053-I1095 HydrophobicContact CE2-CD1 3.95Å; F1053-I1095 HydrophobicContact CG-CD1 3.83Å; F1053-I1095 HydrophobicContact CZ-CD1 4.42Å; F1084-I1095 HydrophobicContact CB-CD1 3.67Å; F1084-I1095 HydrophobicContact CB-CG1 4.14Å; F1084-I1095 WeakPolarHBondContact O-CG1 3.5Å; I1085-I1095 HydrophobicContact CG1-CD1 4.21Å; L1093-I1095 HydrophobicContact CD1-CG1 4.06Å; L1093-I1095 WeakPolarHBondContact CG-O 3.5Å; I1095-I1097 VanDerWaalsContact C-N 3.32Å; I1095-I1097 HydrophobicContact CD1-CD1 3.69Å; I1095-I1097 HydrophobicContact CG1-CD1 4.2Å; I1095-I1097 PolarHBondContact O-N 3.35Å; I1095-I1124 HydrophobicContact CB-CD1 3.92Å; I1095-I1124 HydrophobicContact CD1-CD1 3.81Å; I1095-I1124 HydrophobicContact CG1-CD1 4.41Å; I1095-I1124 HydrophobicContact CG2-CD1 3.93Å
1096	D	78.6	Confident	78.2	Confident	69 Å²	69	59.2 Å²	59.2	37%	0.369	34%	0.336	S	S	.	.	S	Bend	trans	-72.2	76.1	-176.2	-64.6	-50.1	0	0	0	113	L1047	L1047-D1096 WeakPolarHBondContact CD2-OD2 3.47Å
1097	I	82.6	Confident	78	Confident	14 Å²	14	61.1 Å²	61.1	7%	0.072	34%	0.342	C	S	.	.			trans	-128.6	141.2	-178.1	-68.5	-176.3	0	0	0	110.4	L1093 I1095 V1099 Q1101 A1120 T1123 I1124	L1093-I1097 WeakPolarHBondContact CD2-O 3.1Å; I1095-I1097 VanDerWaalsContact C-N 3.32Å; I1095-I1097 HydrophobicContact CD1-CD1 3.69Å; I1095-I1097 HydrophobicContact CG1-CD1 4.2Å; I1095-I1097 PolarHBondContact O-N 3.35Å; I1097-V1099 PolarHBondContact O-N 3.19Å; I1097-Q1101 HydrophobicContact CG2-CB 3.74Å; I1097-A1120 HydrophobicContact CD1-CB 3.45Å; I1097-A1120 VanDerWaalsContact CD1-CB 3.45Å; I1097-T1123 HydrophobicContact CG1-CG2 4.46Å; I1097-I1124 HydrophobicContact CD1-CD1 3.72Å; I1097-I1124 HydrophobicContact CD1-CG1 4.24Å; I1097-I1124 HydrophobicContact CG1-CD1 4Å; I1097-I1124 HydrophobicContact CG1-CG1 4.04Å
1098	P	81.4	Confident	77.4	Confident	36 Å²	36	64.6 Å²	64.6	23%	0.234	36%	0.356	C	S	.	.			trans	-55.2	132.9	168.9	-25.9	33.8	0	0	0	113.4	I1003 E1100 Q1101 A1102	I1003-P1098 HydrophobicContact CG2-CG 4.46Å; P1098-E1100 PolarHBondContact O-N 3.12Å; P1098-E1100 VanDerWaalsContact O-N 3.11Å; P1098-Q1101 HydrophobicContact CB-CG 4.31Å; P1098-Q1101 WeakPolarHBondContact O-CB 3.38Å; P1098-Q1101 PolarHBondContact O-N 3.15Å; P1098-A1102 PolarHBondContact O-N 3.45Å
1099	V	75.8	Confident	77.2	Confident	93 Å²	93	65.5 Å²	65.5	56%	0.564	34%	0.341	S	S	*	.	H	α-helix	trans	-56.1	-34.4	-176.9	-176	0	0	0	0	112.7	I1097 Q1101 A1102 Q1103	I1097-V1099 PolarHBondContact O-N 3.19Å; V1099-Q1101 VanDerWaalsContact C-N 3.3Å; V1099-Q1101 PolarHBondContact O-N 3.49Å; V1099-A1102 PolarHBondContact O-N 3.18Å; V1099-Q1103 HydrophobicContact CG1-CG 4.36Å; V1099-Q1103 WeakPolarHBondContact O-CG 3.46Å; V1099-Q1103 PolarHBondContact O-N 2.92Å
1100	E	80.1	Confident	76.6	Confident	111 Å²	111	68.4 Å²	68.4	52%	0.519	35%	0.349	S	S	.	.	H	α-helix	trans	-59.5	-36.5	174.3	-61.6	-180	-164.3	0	0	112.7	P1098 K1104	P1098-E1100 PolarHBondContact O-N 3.12Å; P1098-E1100 VanDerWaalsContact O-N 3.11Å; E1100-K1104 VanDerWaalsContact O-CG 3.3Å; E1100-K1104 WeakPolarHBondContact O-CG 3.38Å; E1100-K1104 PolarHBondContact O-N 3.42Å
1101	Q	80.3	Confident	76.6	Confident	9 Å²	9	69.3 Å²	69.3	4%	0.042	34%	0.344	C	S	.	.	H	α-helix	trans	-74.6	-39.3	176.6	-65.5	179.8	-10.6	0	0	111.4	I1097 P1098 V1099 Q1103 K1104 I1105 E1119 T1123	I1097-Q1101 HydrophobicContact CG2-CB 3.74Å; P1098-Q1101 HydrophobicContact CB-CG 4.31Å; P1098-Q1101 WeakPolarHBondContact O-CB 3.38Å; P1098-Q1101 PolarHBondContact O-N 3.15Å; V1099-Q1101 VanDerWaalsContact C-N 3.3Å; V1099-Q1101 PolarHBondContact O-N 3.49Å; Q1101-Q1103 VanDerWaalsContact C-N 3.34Å; Q1101-Q1103 PolarHBondContact O-N 2.88Å; Q1101-K1104 PolarHBondContact O-N 3.18Å; Q1101-I1105 WeakPolarHBondContact O-CG1 3.45Å; Q1101-I1105 PolarHBondContact O-N 3.01Å; Q1101-I1105 VanDerWaalsContact O-N 3.15Å; Q1101-E1119 HydrophobicContact CG-CG 4.32Å; Q1101-E1119 WeakPolarHBondContact CG-OE1 3.41Å; Q1101-E1119 VanDerWaalsContact NE2-CD 3.29Å; Q1101-E1119 PolarHBondContact NE2-OE1 3.01Å; Q1101-T1123 PolarHBondContact OE1-OG1 2.97Å
1102	A	80.8	Confident	75.9	Confident	8 Å²	8	68.9 Å²	68.9	7%	0.066	34%	0.337	C	S	.	.	H	α-helix	trans	-60.4	-43.4	174.5	0	0	0	0	0	111.7	I1085 L1093 P1098 V1099 I1105 I1106	I1085-A1102 HydrophobicContact CG2-CB 3.78Å; L1093-A1102 HydrophobicContact CD1-CB 4.26Å; P1098-A1102 PolarHBondContact O-N 3.45Å; V1099-A1102 PolarHBondContact O-N 3.18Å; A1102-I1105 PolarHBondContact O-N 2.85Å; A1102-I1106 WeakPolarHBondContact O-CG1 3.41Å; A1102-I1106 PolarHBondContact O-N 3.44Å; A1102-I1106 VanDerWaalsContact O-N 3.16Å
1103	Q	78.8	Confident	75.5	Confident	105 Å²	105	68.2 Å²	68.2	49%	0.491	33%	0.333	S	S	.	.	H	α-helix	trans	-62.4	-49.9	176.5	-74.5	171.6	-27.4	0	0	112	V1099 Q1101 I1105 I1106 E1107	V1099-Q1103 HydrophobicContact CG1-CG 4.36Å; V1099-Q1103 WeakPolarHBondContact O-CG 3.46Å; V1099-Q1103 PolarHBondContact O-N 2.92Å; Q1101-Q1103 VanDerWaalsContact C-N 3.34Å; Q1101-Q1103 PolarHBondContact O-N 2.88Å; Q1103-I1105 VanDerWaalsContact C-N 3.27Å; Q1103-I1105 PolarHBondContact O-N 3.19Å; Q1103-I1106 PolarHBondContact O-N 3.23Å; Q1103-E1107 WeakPolarHBondContact O-CG 3.36Å; Q1103-E1107 PolarHBondContact O-N 3.17Å
1104	K	80.4	Confident	75.1	Confident	87 Å²	87	68.2 Å²	68.2	38%	0.378	34%	0.336	S	S	.	.	H	α-helix	trans	-52.4	-43.6	175.2	-72.1	171.4	-168.4	175.4	0	112.6	E1100 Q1101 I1106 E1107 H1108 E1119	E1100-K1104 VanDerWaalsContact O-CG 3.3Å; E1100-K1104 WeakPolarHBondContact O-CG 3.38Å; E1100-K1104 PolarHBondContact O-N 3.42Å; Q1101-K1104 PolarHBondContact O-N 3.18Å; K1104-I1106 VanDerWaalsContact C-N 3.34Å; K1104-I1106 PolarHBondContact O-N 2.92Å; K1104-E1107 PolarHBondContact O-N 3.09Å; K1104-H1108 WeakPolarHBondContact O-CB 3.34Å; K1104-H1108 PolarHBondContact O-N 3.16Å; K1104-H1108 PolarHBondContact O-ND1 3.29Å; K1104-E1119 IonicContact NZ-OE1 2.6Å; K1104-E1119 IonicContact NZ-OE2 2.72Å
1105	I	81.6	Confident	75.2	Confident	10 Å²	10	68.2 Å²	68.2	5%	0.051	34%	0.335	C	S	.	.	H	α-helix	trans	-68	-33.8	-179.2	-66.9	165.9	0	0	0	111.6	I1081 I1085 Q1101 A1102 Q1103 R1109 V1116 F1117 A1120	I1081-I1105 HydrophobicContact CD1-CG2 4.08Å; I1081-I1105 HydrophobicContact CG1-CG2 4.05Å; I1085-I1105 HydrophobicContact CD1-CB 4.3Å; I1085-I1105 HydrophobicContact CD1-CD1 4.11Å; I1085-I1105 HydrophobicContact CD1-CG2 3.69Å; Q1101-I1105 WeakPolarHBondContact O-CG1 3.45Å; Q1101-I1105 PolarHBondContact O-N 3.01Å; Q1101-I1105 VanDerWaalsContact O-N 3.15Å; A1102-I1105 PolarHBondContact O-N 2.85Å; Q1103-I1105 VanDerWaalsContact C-N 3.27Å; Q1103-I1105 PolarHBondContact O-N 3.19Å; I1105-R1109 PolarHBondContact O-N 3.13Å; I1105-V1116 HydrophobicContact CG2-CG1 4.04Å; I1105-F1117 HydrophobicContact CG2-CD1 4.32Å; I1105-F1117 HydrophobicContact CG2-CE1 3.97Å; I1105-A1120 HydrophobicContact CD1-CB 3.83Å
1106	I	79.4	Confident	75.1	Confident	57 Å²	57	69.5 Å²	69.5	29%	0.292	34%	0.342	S	S	.	.	H	α-helix	trans	-71.5	-37.9	174.6	-66.7	164.6	0	0	0	111.4	I1081 I1085 N1086 A1102 Q1103 K1104 R1109	I1081-I1106 HydrophobicContact CG2-CG1 4.27Å; I1085-I1106 HydrophobicContact CG2-CD1 4.1Å; I1085-I1106 HydrophobicContact CG2-CG1 4.19Å; N1086-I1106 HydrophobicContact CB-CD1 4.25Å; A1102-I1106 WeakPolarHBondContact O-CG1 3.41Å; A1102-I1106 PolarHBondContact O-N 3.44Å; A1102-I1106 VanDerWaalsContact O-N 3.16Å; Q1103-I1106 PolarHBondContact O-N 3.23Å; K1104-I1106 VanDerWaalsContact C-N 3.34Å; K1104-I1106 PolarHBondContact O-N 2.92Å; I1106-R1109 WeakPolarHBondContact O-CD 3.45Å; I1106-R1109 WeakPolarHBondContact O-CG 3.37Å; I1106-R1109 PolarHBondContact O-NE 2.72Å
1107	E	76.8	Confident	75.4	Confident	129 Å²	129	66.3 Å²	66.3	60%	0.603	33%	0.325	S	S	*	.	H	α-helix	trans	-67	-55.7	177.5	-70.6	162.8	176.1	0	0	111.2	Q1103 K1104 R1109	Q1103-E1107 WeakPolarHBondContact O-CG 3.36Å; Q1103-E1107 PolarHBondContact O-N 3.17Å; K1104-E1107 PolarHBondContact O-N 3.09Å; E1107-R1109 PolarHBondContact O-N 2.75Å; E1107-R1109 VanDerWaalsContact O-N 3.09Å
1108	H	68.7	Low	75.4	Confident	88 Å²	88	67.4 Å²	67.4	41%	0.407	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-77.9	9.2	-175.1	-60.1	75.2	0	0	0	113.4	K1104 K1110 E1111	K1104-H1108 WeakPolarHBondContact O-CB 3.34Å; K1104-H1108 PolarHBondContact O-N 3.16Å; K1104-H1108 PolarHBondContact O-ND1 3.29Å; H1108-K1110 PolarHBondContact O-N 3.1Å; H1108-E1111 IonicContact CD2-OE2 2.74Å; H1108-E1111 PolarHBondContact O-N 3.39Å
1109	R	67.3	Low	75.4	Confident	140 Å²	140	69.4 Å²	69.4	53%	0.528	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-54.3	-19.8	178.6	69.6	-176	163.4	150	-2.5	114.9	Q1074 I1081 I1105 I1106 E1107	Q1074-R1109 PolarHBondContact NE2-O 3.19Å; Q1074-R1109 PolarHBondContact OE1-O 3.02Å; I1081-R1109 HydrophobicContact CD1-CB 4.03Å; I1105-R1109 PolarHBondContact O-N 3.13Å; I1106-R1109 WeakPolarHBondContact O-CD 3.45Å; I1106-R1109 WeakPolarHBondContact O-CG 3.37Å; I1106-R1109 PolarHBondContact O-NE 2.72Å; E1107-R1109 PolarHBondContact O-N 2.75Å; E1107-R1109 VanDerWaalsContact O-N 3.09Å
1110	K	61.7	Low	75.8	Confident	170 Å²	170	65 Å²	65	74%	0.739	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-93.3	-21.3	175.7	-67.7	-173.1	177.1	-176.8	0	113.7	H1108 L1112	H1108-K1110 PolarHBondContact O-N 3.1Å; K1110-L1112 PolarHBondContact O-N 3.48Å
1111	E	59.9	Low	76.1	Confident	135 Å²	135	59.9 Å²	59.9	63%	0.631	28%	0.284	S	S	*	.	S	Bend	trans	-92.1	99.8	-175.2	-66.9	-174.4	-175.9	0	0	109.5	H1108 G1113	H1108-E1111 IonicContact CD2-OE2 2.74Å; H1108-E1111 PolarHBondContact O-N 3.39Å; E1111-G1113 PolarHBondContact O-N 2.9Å
1112	L	58.4	Low	76	Confident	71 Å²	71	61 Å²	61	37%	0.372	29%	0.29	S	S	.	.			trans	-82.4	110.1	-164.7	-81.3	155.7	0	0	0	112.9	E1070 Q1074 I1077 K1110	E1070-L1112 HydrophobicContact CG-CD1 3.61Å; E1070-L1112 WeakPolarHBondContact OE1-CD1 3.42Å; Q1074-L1112 HydrophobicContact CG-CD1 3.83Å; Q1074-L1112 HydrophobicContact CG-CD2 3.94Å; Q1074-L1112 HydrophobicContact CG-CG 4.32Å; I1077-L1112 HydrophobicContact CD1-CD2 3.69Å; K1110-L1112 PolarHBondContact O-N 3.48Å
1113	G	66.6	Low	76	Confident	26 Å²	26	61.1 Å²	61.1	27%	0.268	29%	0.29	S	S	.	.			trans	-134.6	147.3	166	0	0	0	0	0	111.1	Y1060 E1111 Y1115 V1116	Y1060-G1113 PolarHBondContact OH-O 3.16Å; E1111-G1113 PolarHBondContact O-N 2.9Å; G1113-Y1115 PolarHBondContact O-N 3Å; G1113-V1116 WeakPolarHBondContact O-CG2 3.44Å; G1113-V1116 PolarHBondContact O-N 2.92Å
1114	P	74.8	Confident	76.2	Confident	43 Å²	43	56.3 Å²	56.3	28%	0.279	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-5.7	177.4	-25.9	35.8	0	0	0	115.7	P754 F756	P754-P1114 HydrophobicContact CB-CB 3.79Å; P754-P1114 HydrophobicContact CB-CG 3.7Å; P754-P1114 HydrophobicContact CG-CB 3.67Å; P754-P1114 HydrophobicContact CG-CG 3.73Å; F756-P1114 HydrophobicContact CE1-CB 4.13Å; F756-P1114 WeakPolarHBondContact CE1-O 3.28Å; F756-P1114 HydrophobicContact CZ-CB 3.97Å
1115	Y	82	Confident	76.4	Confident	30 Å²	30	52.4 Å²	52.4	12%	0.118	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.1	11.5	-169.4	-48.9	-80.9	0	0	0	113.6	F708 L713 P715 P755 F756 G1113 F1117 R1118	F708-Y1115 HydrophobicContact CE1-CE1 4.29Å; L713-Y1115 HydrophobicContact CD2-CD1 3.64Å; L713-Y1115 HydrophobicContact CD2-CD2 3.61Å; L713-Y1115 HydrophobicContact CD2-CE1 4.16Å; L713-Y1115 HydrophobicContact CD2-CE2 4.15Å; L713-Y1115 HydrophobicContact CD2-CG 3.32Å; P715-Y1115 HydrophobicContact CB-CD2 4.49Å; P715-Y1115 HydrophobicContact CB-CE2 3.87Å; P715-Y1115 HydrophobicContact CG-CD2 4.06Å; P715-Y1115 HydrophobicContact CG-CE2 3.94Å; P755-Y1115 WeakPolarHBondContact CD-OH 3.34Å; P755-Y1115 WeakPolarHBondContact O-CE1 3.44Å; P755-Y1115 PolarHBondContact O-OH 3.22Å; P755-Y1115 VanDerWaalsContact O-OH 3.13Å; F756-Y1115 HydrophobicContact CD1-CD1 4.18Å; F756-Y1115 AromaticContact CD1-CE1 3.9Å; F756-Y1115 HydrophobicContact CD1-CE1 3.9Å; F756-Y1115 HydrophobicContact CE1-CD1 4.04Å; F756-Y1115 AromaticContact CE1-CE1 3.94Å; F756-Y1115 HydrophobicContact CE1-CE1 3.94Å; G1113-Y1115 PolarHBondContact O-N 3Å; Y1115-F1117 PolarHBondContact O-N 3.13Å; Y1115-F1117 VanDerWaalsContact O-N 3.12Å; Y1115-R1118 WeakPolarHBondContact O-CB 3.4Å; Y1115-R1118 PolarHBondContact O-N 3.31Å
1116	V	80.8	Confident	76.3	Confident	28 Å²	28	52.6 Å²	52.6	17%	0.17	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.8	-42.9	-179.6	169.6	0	0	0	0	111.9	I1105 G1113	I1105-V1116 HydrophobicContact CG2-CG1 4.04Å; G1113-V1116 WeakPolarHBondContact O-CG2 3.44Å; G1113-V1116 PolarHBondContact O-N 2.92Å
1117	F	85.6	Confident	76.4	Confident	2 Å²	2	51.2 Å²	51.2	1%	0.009	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	3.9	-178.2	-59.2	-62.2	0	0	0	114.9	F1053 V1057 Y1060 I1077 I1080 I1081 I1085 I1105 Y1115 E1119 A1120 Q1121	F1053-F1117 HydrophobicContact CE2-CD1 4.1Å; F1053-F1117 HydrophobicContact CZ-CB 4.16Å; F1053-F1117 AromaticContact CZ-CD1 3.97Å; F1053-F1117 HydrophobicContact CZ-CD1 3.97Å; F1053-F1117 HydrophobicContact CZ-CG 4.3Å; V1057-F1117 HydrophobicContact CG1-CB 3.98Å; V1057-F1117 HydrophobicContact CG2-CB 3.76Å; V1057-F1117 HydrophobicContact CG2-CD2 4.22Å; V1057-F1117 HydrophobicContact CG2-CG 4Å; Y1060-F1117 HydrophobicContact CD1-CD2 4.03Å; Y1060-F1117 HydrophobicContact CE1-CD2 4.02Å; Y1060-F1117 HydrophobicContact CG-CD2 4.45Å; I1077-F1117 HydrophobicContact CB-CE2 4.43Å; I1077-F1117 HydrophobicContact CB-CZ 4.34Å; I1077-F1117 HydrophobicContact CG1-CE2 4.05Å; I1077-F1117 HydrophobicContact CG1-CZ 4.44Å; I1077-F1117 HydrophobicContact CG2-CE2 4.44Å; I1077-F1117 HydrophobicContact CG2-CZ 4Å; I1080-F1117 HydrophobicContact CB-CE1 4.28Å; I1080-F1117 HydrophobicContact CB-CE2 4.17Å; I1080-F1117 HydrophobicContact CB-CZ 3.71Å; I1080-F1117 HydrophobicContact CD1-CD2 4.39Å; I1080-F1117 HydrophobicContact CD1-CE2 3.81Å; I1080-F1117 HydrophobicContact CD1-CZ 4.27Å; I1080-F1117 HydrophobicContact CG2-CD1 4.18Å; I1080-F1117 HydrophobicContact CG2-CE1 3.6Å; I1080-F1117 HydrophobicContact CG2-CE2 4.02Å; I1080-F1117 HydrophobicContact CG2-CZ 3.51Å; I1081-F1117 HydrophobicContact CG1-CE1 4.13Å; I1081-F1117 HydrophobicContact CG1-CZ 4.29Å; I1085-F1117 HydrophobicContact CD1-CE1 4.25Å; I1105-F1117 HydrophobicContact CG2-CD1 4.32Å; I1105-F1117 HydrophobicContact CG2-CE1 3.97Å; Y1115-F1117 PolarHBondContact O-N 3.13Å; Y1115-F1117 VanDerWaalsContact O-N 3.12Å; F1117-E1119 PolarHBondContact O-N 3.02Å; F1117-A1120 PolarHBondContact O-N 2.95Å; F1117-Q1121 VanDerWaalsContact O-CB 3.28Å; F1117-Q1121 WeakPolarHBondContact O-CB 3.3Å; F1117-Q1121 PolarHBondContact O-N 3.25Å
1118	R	82.9	Confident	76.7	Confident	38 Å²	38	45.1 Å²	45.1	14%	0.143	22%	0.221	C	C	.	.	H	α-helix	trans	-56.5	-53.6	-175.5	171.8	-176.6	158.9	-107	9.9	113	F708 Q710 Y1115 A1120 Q1121 M1122	F708-R1118 VanDerWaalsContact O-CZ 3.28Å; F708-R1118 PolarHBondContact O-NE 3.41Å; F708-R1118 PolarHBondContact O-NH2 3.04Å; Q710-R1118 PolarHBondContact O-NH2 3.03Å; Y1115-R1118 WeakPolarHBondContact O-CB 3.4Å; Y1115-R1118 PolarHBondContact O-N 3.31Å; R1118-A1120 VanDerWaalsContact C-N 3.27Å; R1118-A1120 PolarHBondContact O-N 3.17Å; R1118-Q1121 PolarHBondContact O-N 3.43Å; R1118-M1122 HydrophobicContact CG-CG 4.44Å; R1118-M1122 WeakPolarHBondContact O-CG 3.35Å; R1118-M1122 PolarHBondContact O-N 3.16Å
1119	E	81.1	Confident	77.3	Confident	78 Å²	78	42.6 Å²	42.6	36%	0.364	21%	0.208	S	C	.	.	H	α-helix	trans	-62.9	-38.8	-174.5	-153	-173.3	163.3	0	0	110.9	Q1101 K1104 F1117 T1123	Q1101-E1119 HydrophobicContact CG-CG 4.32Å; Q1101-E1119 WeakPolarHBondContact CG-OE1 3.41Å; Q1101-E1119 VanDerWaalsContact NE2-CD 3.29Å; Q1101-E1119 PolarHBondContact NE2-OE1 3.01Å; K1104-E1119 IonicContact NZ-OE1 2.6Å; K1104-E1119 IonicContact NZ-OE2 2.72Å; F1117-E1119 PolarHBondContact O-N 3.02Å; E1119-T1123 VanDerWaalsContact O-CB 3.3Å; E1119-T1123 WeakPolarHBondContact O-CB 3.35Å; E1119-T1123 PolarHBondContact O-N 2.87Å; E1119-T1123 VanDerWaalsContact O-N 3.12Å; E1119-T1123 PolarHBondContact O-OG1 2.98Å
1120	A	84.3	Confident	78.1	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-65.7	-49.2	173	0	0	0	0	0	113.1	F1053 I1097 I1105 F1117 R1118 M1122 T1123 I1124	F1053-A1120 HydrophobicContact CE1-CB 3.97Å; F1053-A1120 HydrophobicContact CZ-CB 3.74Å; I1097-A1120 HydrophobicContact CD1-CB 3.45Å; I1097-A1120 VanDerWaalsContact CD1-CB 3.45Å; I1105-A1120 HydrophobicContact CD1-CB 3.83Å; F1117-A1120 PolarHBondContact O-N 2.95Å; R1118-A1120 VanDerWaalsContact C-N 3.27Å; R1118-A1120 PolarHBondContact O-N 3.17Å; A1120-M1122 PolarHBondContact O-N 2.98Å; A1120-T1123 PolarHBondContact O-N 3.3Å; A1120-I1124 WeakPolarHBondContact O-CB 3.47Å; A1120-I1124 PolarHBondContact O-N 3.43Å
1121	Q	85.9	Confident	79	Confident	4 Å²	4	36 Å²	36	2%	0.019	18%	0.184	C	C	.	.	H	α-helix	trans	-62.3	-43	-178.4	-170.2	-179.1	14.6	0	0	111.2	W1054 V1057 F1117 R1118 F1125	W1054-Q1121 VanDerWaalsContact CD1-CG 3.44Å; W1054-Q1121 HydrophobicContact CG-CG 4.4Å; V1057-Q1121 HydrophobicContact CG1-CB 4.35Å; V1057-Q1121 VanDerWaalsContact CG1-CD 3.5Å; V1057-Q1121 HydrophobicContact CG1-CG 4.2Å; V1057-Q1121 VanDerWaalsContact CG1-OE1 3.29Å; F1117-Q1121 VanDerWaalsContact O-CB 3.28Å; F1117-Q1121 WeakPolarHBondContact O-CB 3.3Å; F1117-Q1121 PolarHBondContact O-N 3.25Å; R1118-Q1121 PolarHBondContact O-N 3.43Å; Q1121-F1125 WeakPolarHBondContact O-CB 3.23Å; Q1121-F1125 PolarHBondContact O-N 2.88Å
1122	M	79.2	Confident	80.1	Confident	33 Å²	33	30.8 Å²	30.8	16%	0.163	16%	0.158	C	C	.	.	H	α-helix	trans	-69.1	-38.8	177.7	-64.7	-56.5	-70.3	0	0	112.3	Y709 E757 W1013 R1118 A1120 G1126	Y709-M1122 HydrophobicContact CD1-CE 4.03Å; Y709-M1122 HydrophobicContact CE1-CE 3.24Å; E757-M1122 HydrophobicContact CG-SD 4.48Å; W1013-M1122 HydrophobicContact CH2-CE 3.62Å; W1013-M1122 HydrophobicContact CZ2-CE 4.41Å; W1013-M1122 HydrophobicContact CZ3-CE 3.98Å; R1118-M1122 HydrophobicContact CG-CG 4.44Å; R1118-M1122 WeakPolarHBondContact O-CG 3.35Å; R1118-M1122 PolarHBondContact O-N 3.16Å; A1120-M1122 PolarHBondContact O-N 2.98Å; M1122-G1126 PolarHBondContact O-N 3.26Å
1123	T	80.1	Confident	81.1	Confident	9 Å²	9	30.1 Å²	30.1	6%	0.055	16%	0.158	C	C	.	.	H	α-helix	trans	-59.9	-51.6	173.9	-65.3	0	0	0	0	110.9	W1006 I1097 Q1101 E1119 A1120 G1126 V1127	W1006-T1123 HydrophobicContact CZ2-CG2 4.13Å; I1097-T1123 HydrophobicContact CG1-CG2 4.46Å; Q1101-T1123 PolarHBondContact OE1-OG1 2.97Å; E1119-T1123 VanDerWaalsContact O-CB 3.3Å; E1119-T1123 WeakPolarHBondContact O-CB 3.35Å; E1119-T1123 PolarHBondContact O-N 2.87Å; E1119-T1123 VanDerWaalsContact O-N 3.12Å; E1119-T1123 PolarHBondContact O-OG1 2.98Å; A1120-T1123 PolarHBondContact O-N 3.3Å; T1123-G1126 PolarHBondContact O-N 2.82Å; T1123-V1127 WeakPolarHBondContact O-CG2 3.37Å; T1123-V1127 PolarHBondContact O-N 3.06Å; T1123-V1127 VanDerWaalsContact O-N 3.07Å
1124	I	83.6	Confident	81.7	Confident	5 Å²	5	32.6 Å²	32.6	3%	0.026	16%	0.162	C	C	.	.	H	α-helix	trans	-64.9	-43.7	178.7	-75.3	168.5	0	0	0	111.8	G1050 F1053 I1095 I1097 A1120 G1126 V1127 L1128	G1050-I1124 WeakPolarHBondContact O-CG2 3.44Å; F1053-I1124 HydrophobicContact CB-CD1 4.42Å; F1053-I1124 HydrophobicContact CD1-CD1 3.35Å; F1053-I1124 HydrophobicContact CE1-CD1 3.75Å; F1053-I1124 HydrophobicContact CG-CD1 4.02Å; I1095-I1124 HydrophobicContact CB-CD1 3.92Å; I1095-I1124 HydrophobicContact CD1-CD1 3.81Å; I1095-I1124 HydrophobicContact CG1-CD1 4.41Å; I1095-I1124 HydrophobicContact CG2-CD1 3.93Å; I1097-I1124 HydrophobicContact CD1-CD1 3.72Å; I1097-I1124 HydrophobicContact CD1-CG1 4.24Å; I1097-I1124 HydrophobicContact CG1-CD1 4Å; I1097-I1124 HydrophobicContact CG1-CG1 4.04Å; A1120-I1124 WeakPolarHBondContact O-CB 3.47Å; A1120-I1124 PolarHBondContact O-N 3.43Å; I1124-G1126 VanDerWaalsContact C-N 3.29Å; I1124-G1126 PolarHBondContact O-N 2.91Å; I1124-V1127 PolarHBondContact O-N 3.47Å; I1124-L1128 HydrophobicContact CG2-CD1 3.74Å; I1124-L1128 HydrophobicContact CG2-CG 4.15Å; I1124-L1128 WeakPolarHBondContact O-CG 3.2Å; I1124-L1128 PolarHBondContact O-N 2.6Å
1125	F	83.6	Confident	82	Confident	5 Å²	5	30.6 Å²	30.6	2%	0.022	15%	0.149	C	C	.	.	H	α-helix	trans	-58.5	-43.5	176.2	-175	-88.1	0	0	0	111	W1013 I1020 F1023 R1024 L1027 W1054 Q1121 V1127 L1128 F1129	W1013-F1125 AromaticContact CH2-CD1 3.51Å; W1013-F1125 HydrophobicContact CH2-CD1 3.51Å; W1013-F1125 AromaticContact CH2-CE1 3.58Å; W1013-F1125 HydrophobicContact CH2-CE1 3.58Å; W1013-F1125 HydrophobicContact CZ2-CD1 4.17Å; W1013-F1125 HydrophobicContact CZ2-CE1 4.39Å; W1013-F1125 HydrophobicContact CZ3-CD1 4.36Å; W1013-F1125 HydrophobicContact CZ3-CE1 4.01Å; I1020-F1125 HydrophobicContact CG1-CE1 4.42Å; I1020-F1125 HydrophobicContact CG2-CE1 4.23Å; I1020-F1125 HydrophobicContact CG2-CZ 3.97Å; F1023-F1125 HydrophobicContact CD1-CD2 4.14Å; F1023-F1125 HydrophobicContact CD1-CE1 4.23Å; F1023-F1125 AromaticContact CD1-CE2 3.44Å; F1023-F1125 HydrophobicContact CD1-CE2 3.44Å; F1023-F1125 VanDerWaalsContact CD1-CE2 3.44Å; F1023-F1125 AromaticContact CD1-CZ 3.5Å; F1023-F1125 HydrophobicContact CD1-CZ 3.5Å; F1023-F1125 AromaticContact CE1-CD2 3.97Å; F1023-F1125 HydrophobicContact CE1-CD2 3.97Å; F1023-F1125 AromaticContact CE1-CE2 3.75Å; F1023-F1125 HydrophobicContact CE1-CE2 3.75Å; F1023-F1125 HydrophobicContact CE1-CZ 4.1Å; F1023-F1125 HydrophobicContact CG-CE2 4.48Å; R1024-F1125 HydrophobicContact CG-CE2 3.81Å; R1024-F1125 HydrophobicContact CG-CZ 4.06Å; L1027-F1125 HydrophobicContact CD1-CD2 4.42Å; L1027-F1125 HydrophobicContact CD1-CE2 4.4Å; W1054-F1125 HydrophobicContact CZ2-CD2 4.42Å; W1054-F1125 HydrophobicContact CZ2-CE2 4.43Å; W1054-F1125 AromaticContact NE1-CD2 3.52Å; Q1121-F1125 WeakPolarHBondContact O-CB 3.23Å; Q1121-F1125 PolarHBondContact O-N 2.88Å; F1125-V1127 VanDerWaalsContact C-N 3.27Å; F1125-V1127 PolarHBondContact O-N 3.42Å; F1125-L1128 PolarHBondContact O-N 2.93Å; F1125-F1129 WeakPolarHBondContact O-CB 3.24Å; F1125-F1129 PolarHBondContact O-N 3.36Å
1126	G	80.4	Confident	81.8	Confident	14 Å²	14	31 Å²	31	14%	0.144	16%	0.156	C	C	.	.	H	α-helix	trans	-67.1	-19.9	174.5	0	0	0	0	0	115	M1122 T1123 I1124 K1130	M1122-G1126 PolarHBondContact O-N 3.26Å; T1123-G1126 PolarHBondContact O-N 2.82Å; I1124-G1126 VanDerWaalsContact C-N 3.29Å; I1124-G1126 PolarHBondContact O-N 2.91Å; G1126-K1130 VanDerWaalsContact O-CE 3.26Å; G1126-K1130 WeakPolarHBondContact O-CE 3.43Å; G1126-K1130 WeakPolarHBondContact O-CG 3.22Å
1127	V	81.6	Confident	81.6	Confident	28 Å²	28	35.4 Å²	35.4	17%	0.17	18%	0.175	C	C	.	.	H	α-helix	trans	-81.9	-48.6	169.7	173.4	0	0	0	0	110.6	L1047 T1123 I1124 F1125 K1130 F1131	L1047-V1127 HydrophobicContact CD2-CG1 3.42Å; L1047-V1127 VanDerWaalsContact CD2-CG1 3.42Å; T1123-V1127 WeakPolarHBondContact O-CG2 3.37Å; T1123-V1127 PolarHBondContact O-N 3.06Å; T1123-V1127 VanDerWaalsContact O-N 3.07Å; I1124-V1127 PolarHBondContact O-N 3.47Å; F1125-V1127 VanDerWaalsContact C-N 3.27Å; F1125-V1127 PolarHBondContact O-N 3.42Å; V1127-K1130 WeakPolarHBondContact O-CB 3.32Å; V1127-K1130 PolarHBondContact O-N 3.16Å; V1127-F1131 WeakPolarHBondContact O-CD2 3.4Å
1128	L	81.8	Confident	81.1	Confident	1 Å²	1	36.9 Å²	36.9	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-64.9	-40.5	-178.9	-65.7	173.1	0	0	0	112.3	F1023 F1036 V1040 L1051 I1124 F1125 K1130 F1131 W1132	F1023-L1128 HydrophobicContact CE1-CB 4.3Å; F1023-L1128 HydrophobicContact CZ-CB 3.87Å; F1036-L1128 HydrophobicContact CE1-CB 4.38Å; V1040-L1128 HydrophobicContact CG1-CD2 4.11Å; L1051-L1128 HydrophobicContact CB-CD1 4.23Å; I1124-L1128 HydrophobicContact CG2-CD1 3.74Å; I1124-L1128 HydrophobicContact CG2-CG 4.15Å; I1124-L1128 WeakPolarHBondContact O-CG 3.2Å; I1124-L1128 PolarHBondContact O-N 2.6Å; F1125-L1128 PolarHBondContact O-N 2.93Å; L1128-K1130 PolarHBondContact O-N 3.39Å; L1128-F1131 PolarHBondContact O-N 3.16Å; L1128-W1132 PolarHBondContact O-N 3.49Å
1129	F	82.9	Confident	80.8	Confident	34 Å²	34	39.6 Å²	39.6	15%	0.149	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-59.3	-28.9	-179.2	-173.7	-110.8	0	0	0	112.9	E1019 I1020 F1023 F1125 F1131 W1132 P1133	E1019-F1129 HydrophobicContact CB-CE2 4.07Å; E1019-F1129 HydrophobicContact CB-CZ 3.99Å; I1020-F1129 HydrophobicContact CG1-CE2 4.27Å; I1020-F1129 HydrophobicContact CG1-CZ 4.24Å; F1023-F1129 HydrophobicContact CB-CD2 4.3Å; F1023-F1129 HydrophobicContact CB-CE2 4.42Å; F1023-F1129 HydrophobicContact CD1-CB 4.25Å; F1023-F1129 AromaticContact CD1-CD2 3.59Å; F1023-F1129 HydrophobicContact CD1-CD2 3.59Å; F1023-F1129 HydrophobicContact CD1-CE2 4.48Å; F1023-F1129 HydrophobicContact CD1-CG 4.4Å; F1023-F1129 HydrophobicContact CE1-CB 3.96Å; F1023-F1129 HydrophobicContact CE1-CD2 4.14Å; F1023-F1129 HydrophobicContact CG-CD2 4.1Å; F1125-F1129 WeakPolarHBondContact O-CB 3.24Å; F1125-F1129 PolarHBondContact O-N 3.36Å; F1129-F1131 PolarHBondContact O-N 3.14Å; F1129-F1131 VanDerWaalsContact O-N 3.15Å; F1129-W1132 HydrophobicContact CD2-CB 4.27Å; F1129-W1132 WeakPolarHBondContact O-CB 3.18Å; F1129-W1132 PolarHBondContact O-N 3.03Å; F1129-P1133 VanDerWaalsContact O-CD 3.28Å; F1129-P1133 WeakPolarHBondContact O-CD 3.3Å
1130	K	83.1	Confident	80.3	Confident	132 Å²	132	44.5 Å²	44.5	57%	0.574	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	-60.2	-24.9	173.9	-64.1	167.5	-176.4	169.5	0	113.4	G1126 V1127 L1128	G1126-K1130 VanDerWaalsContact O-CE 3.26Å; G1126-K1130 WeakPolarHBondContact O-CE 3.43Å; G1126-K1130 WeakPolarHBondContact O-CG 3.22Å; V1127-K1130 WeakPolarHBondContact O-CB 3.32Å; V1127-K1130 PolarHBondContact O-N 3.16Å; L1128-K1130 PolarHBondContact O-N 3.39Å
1131	F	81.1	Confident	79.4	Confident	41 Å²	41	50.8 Å²	50.8	18%	0.18	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-97.4	-8.6	178.4	-59.3	-73.9	0	0	0	113	F1036 F1039 K1043 L1047 V1127 L1128 F1129 Q1134 F1135	F1036-F1131 HydrophobicContact CE2-CB 4.31Å; F1036-F1131 HydrophobicContact CZ-CB 4.34Å; F1039-F1131 HydrophobicContact CE1-CB 4.43Å; K1043-F1131 HydrophobicContact CB-CD1 4.46Å; K1043-F1131 HydrophobicContact CB-CE1 4.12Å; K1043-F1131 HydrophobicContact CB-CZ 4.5Å; K1043-F1131 HydrophobicContact CD-CD1 4.26Å; K1043-F1131 HydrophobicContact CD-CE1 4.16Å; K1043-F1131 HydrophobicContact CG-CD1 4.21Å; K1043-F1131 HydrophobicContact CG-CE1 4.25Å; L1047-F1131 HydrophobicContact CD1-CD2 4.41Å; L1047-F1131 HydrophobicContact CD1-CE2 3.7Å; L1047-F1131 HydrophobicContact CD1-CZ 3.98Å; L1047-F1131 HydrophobicContact CD2-CE2 4.31Å; V1127-F1131 WeakPolarHBondContact O-CD2 3.4Å; L1128-F1131 PolarHBondContact O-N 3.16Å; F1129-F1131 PolarHBondContact O-N 3.14Å; F1129-F1131 VanDerWaalsContact O-N 3.15Å; F1131-Q1134 PolarHBondContact O-N 3.34Å; F1131-F1135 PolarHBondContact O-N 2.88Å; F1131-F1135 VanDerWaalsContact O-N 3.09Å
1132	W	82.4	Confident	78.3	Confident	25 Å²	25	53.2 Å²	53.2	10%	0.095	26%	0.258	C	S	.	.	H	α-helix	trans	-64.6	-48.1	-177	176.8	-118.6	0	0	0	113.1	F1023 A1026 F1036 L1128 F1129 Q1134 F1135 C1136	F1023-W1132 HydrophobicContact CB-CD2 4.24Å; F1023-W1132 HydrophobicContact CB-CG 4.22Å; F1023-W1132 HydrophobicContact CD2-CB 4Å; F1023-W1132 AromaticContact CD2-CD2 3.32Å; F1023-W1132 HydrophobicContact CD2-CD2 3.32Å; F1023-W1132 AromaticContact CD2-CE2 3.85Å; F1023-W1132 AromaticContact CD2-CE3 3.43Å; F1023-W1132 HydrophobicContact CD2-CE3 3.43Å; F1023-W1132 VanDerWaalsContact CD2-CE3 3.43Å; F1023-W1132 AromaticContact CD2-CG 3.58Å; F1023-W1132 HydrophobicContact CD2-CG 3.58Å; F1023-W1132 HydrophobicContact CD2-CZ2 4.43Å; F1023-W1132 HydrophobicContact CD2-CZ3 4.06Å; F1023-W1132 HydrophobicContact CE2-CB 4.04Å; F1023-W1132 AromaticContact CE2-CD2 3.92Å; F1023-W1132 HydrophobicContact CE2-CD2 3.92Å; F1023-W1132 AromaticContact CE2-CE3 3.7Å; F1023-W1132 HydrophobicContact CE2-CE3 3.7Å; F1023-W1132 HydrophobicContact CE2-CG 4.08Å; F1023-W1132 HydrophobicContact CE2-CZ3 4.45Å; F1023-W1132 HydrophobicContact CG-CB 4.41Å; F1023-W1132 HydrophobicContact CG-CD2 4.05Å; F1023-W1132 AromaticContact CG-CG 3.97Å; F1023-W1132 HydrophobicContact CG-CG 3.97Å; F1023-W1132 HydrophobicContact CZ-CB 4.47Å; A1026-W1132 HydrophobicContact CB-CH2 3.23Å; A1026-W1132 HydrophobicContact CB-CZ2 3.86Å; A1026-W1132 HydrophobicContact CB-CZ3 3.83Å; F1036-W1132 HydrophobicContact CD2-CE3 4.29Å; F1036-W1132 HydrophobicContact CE2-CE3 4.27Å; L1128-W1132 PolarHBondContact O-N 3.49Å; F1129-W1132 HydrophobicContact CD2-CB 4.27Å; F1129-W1132 WeakPolarHBondContact O-CB 3.18Å; F1129-W1132 PolarHBondContact O-N 3.03Å; W1132-Q1134 VanDerWaalsContact C-N 3.32Å; W1132-Q1134 PolarHBondContact O-N 2.8Å; W1132-F1135 AromaticContact CE3-CD1 3.83Å; W1132-F1135 HydrophobicContact CE3-CD1 3.83Å; W1132-F1135 HydrophobicContact CH2-CD1 4.28Å; W1132-F1135 HydrophobicContact CH2-CE1 4.44Å; W1132-F1135 AromaticContact CZ3-CD1 3.44Å; W1132-F1135 HydrophobicContact CZ3-CD1 3.44Å; W1132-F1135 VanDerWaalsContact CZ3-CD1 3.44Å; W1132-F1135 AromaticContact CZ3-CE1 3.8Å; W1132-F1135 HydrophobicContact CZ3-CE1 3.8Å; W1132-F1135 WeakPolarHBondContact O-CB 3.41Å; W1132-F1135 PolarHBondContact O-N 2.92Å; W1132-F1135 VanDerWaalsContact O-N 3.07Å; W1132-C1136 VanDerWaalsContact CZ2-SG 3.57Å; W1132-C1136 PolarHBondContact O-N 3.4Å; W1132-C1136 PolarHBondContact O-SG 3.15Å
1133	P	80.3	Confident	77.4	Confident	56 Å²	56	55.9 Å²	55.9	36%	0.364	28%	0.277	S	S	.	.	H	α-helix	trans	-58.2	-41.3	174.9	-26.7	35.8	0	0	0	113.3	F1129 F1135 C1136 E1137	F1129-P1133 VanDerWaalsContact O-CD 3.28Å; F1129-P1133 WeakPolarHBondContact O-CD 3.3Å; P1133-F1135 VanDerWaalsContact C-N 3.27Å; P1133-F1135 PolarHBondContact O-N 3.22Å; P1133-C1136 WeakPolarHBondContact O-CB 3.42Å; P1133-C1136 PolarHBondContact O-N 3.31Å; P1133-C1136 VanDerWaalsContact O-N 3.14Å; P1133-E1137 WeakPolarHBondContact O-CG 3.45Å; P1133-E1137 PolarHBondContact O-N 2.94Å
1134	Q	79.2	Confident	76.4	Confident	78 Å²	78	59 Å²	59	36%	0.364	29%	0.293	S	S	.	.	H	α-helix	trans	-63.6	-32.5	177.6	-59.2	178.5	21.6	0	0	112.2	F1039 F1131 W1132 F1138	F1039-Q1134 HydrophobicContact CE1-CB 4.32Å; F1039-Q1134 HydrophobicContact CZ-CB 3.89Å; F1131-Q1134 PolarHBondContact O-N 3.34Å; W1132-Q1134 VanDerWaalsContact C-N 3.32Å; W1132-Q1134 PolarHBondContact O-N 2.8Å; Q1134-F1138 VanDerWaalsContact O-CB 3.31Å; Q1134-F1138 WeakPolarHBondContact O-CB 3.33Å; Q1134-F1138 PolarHBondContact O-N 2.92Å; Q1134-F1138 VanDerWaalsContact O-N 3.1Å
1135	F	80.5	Confident	75.3	Confident	1 Å²	1	67.3 Å²	67.3	0%	0.004	33%	0.331	C	S	.	.	H	α-helix	trans	-74.9	-39.4	173.1	176.7	-100.5	0	0	0	111.9	Q1035 F1036 F1039 F1131 W1132 P1133 E1137 F1138 R1139	Q1035-F1135 HydrophobicContact CB-CE2 3.95Å; Q1035-F1135 HydrophobicContact CB-CZ 3.66Å; F1036-F1135 HydrophobicContact CB-CD1 4.45Å; F1036-F1135 HydrophobicContact CB-CD2 4.5Å; F1036-F1135 HydrophobicContact CB-CE1 4.27Å; F1036-F1135 HydrophobicContact CB-CE2 4.32Å; F1036-F1135 HydrophobicContact CB-CZ 4.2Å; F1036-F1135 HydrophobicContact CD2-CB 3.68Å; F1036-F1135 AromaticContact CD2-CD1 3.91Å; F1036-F1135 HydrophobicContact CD2-CD1 3.91Å; F1036-F1135 AromaticContact CD2-CD2 3.93Å; F1036-F1135 HydrophobicContact CD2-CD2 3.93Å; F1036-F1135 AromaticContact CD2-CG 3.56Å; F1036-F1135 HydrophobicContact CD2-CG 3.56Å; F1036-F1135 HydrophobicContact CE2-CB 3.87Å; F1036-F1135 HydrophobicContact CE2-CG 4.26Å; F1036-F1135 HydrophobicContact CG-CG 4.49Å; F1039-F1135 HydrophobicContact CB-CD2 3.75Å; F1039-F1135 HydrophobicContact CB-CE2 4.19Å; F1039-F1135 HydrophobicContact CD1-CB 3.96Å; F1039-F1135 HydrophobicContact CD1-CD2 4.06Å; F1039-F1135 HydrophobicContact CD1-CG 4.46Å; F1039-F1135 HydrophobicContact CD2-CD2 4.1Å; F1039-F1135 HydrophobicContact CE1-CB 3.89Å; F1039-F1135 HydrophobicContact CG-CB 4.41Å; F1039-F1135 AromaticContact CG-CD2 3.73Å; F1039-F1135 HydrophobicContact CG-CD2 3.73Å; F1039-F1135 HydrophobicContact CZ-CB 4.29Å; F1131-F1135 PolarHBondContact O-N 2.88Å; F1131-F1135 VanDerWaalsContact O-N 3.09Å; W1132-F1135 AromaticContact CE3-CD1 3.83Å; W1132-F1135 HydrophobicContact CE3-CD1 3.83Å; W1132-F1135 HydrophobicContact CH2-CD1 4.28Å; W1132-F1135 HydrophobicContact CH2-CE1 4.44Å; W1132-F1135 AromaticContact CZ3-CD1 3.44Å; W1132-F1135 HydrophobicContact CZ3-CD1 3.44Å; W1132-F1135 VanDerWaalsContact CZ3-CD1 3.44Å; W1132-F1135 AromaticContact CZ3-CE1 3.8Å; W1132-F1135 HydrophobicContact CZ3-CE1 3.8Å; W1132-F1135 WeakPolarHBondContact O-CB 3.41Å; W1132-F1135 PolarHBondContact O-N 2.92Å; W1132-F1135 VanDerWaalsContact O-N 3.07Å; P1133-F1135 VanDerWaalsContact C-N 3.27Å; P1133-F1135 PolarHBondContact O-N 3.22Å; F1135-E1137 PolarHBondContact O-N 2.88Å; F1135-F1138 PolarHBondContact O-N 3.42Å; F1135-R1139 WeakPolarHBondContact O-CB 3.38Å; F1135-R1139 PolarHBondContact O-N 3.14Å
1136	C	77.3	Confident	74.4	Confident	38 Å²	38	70.8 Å²	70.8	26%	0.257	35%	0.35	S	S	.	.	H	α-helix	trans	-60.7	-42.3	174.1	-71.4	0	0	0	0	112.1	W1132 P1133 R1139 K1140	W1132-C1136 VanDerWaalsContact CZ2-SG 3.57Å; W1132-C1136 PolarHBondContact O-N 3.4Å; W1132-C1136 PolarHBondContact O-SG 3.15Å; P1133-C1136 WeakPolarHBondContact O-CB 3.42Å; P1133-C1136 PolarHBondContact O-N 3.31Å; P1133-C1136 VanDerWaalsContact O-N 3.14Å; C1136-R1139 PolarHBondContact O-N 3.43Å; C1136-K1140 WeakPolarHBondContact O-CB 3.39Å; C1136-K1140 VanDerWaalsContact O-CG 3.3Å; C1136-K1140 WeakPolarHBondContact O-CG 3.35Å; C1136-K1140 PolarHBondContact O-N 3.07Å
1137	E	77.5	Confident	73.9	Confident	121 Å²	121	70.1 Å²	70.1	57%	0.565	34%	0.343	S	S	*	.	H	α-helix	trans	-63.2	-45.9	171.4	-71.1	174.3	170.6	0	0	112	P1133 F1135 R1139 K1140 N1141	P1133-E1137 WeakPolarHBondContact O-CG 3.45Å; P1133-E1137 PolarHBondContact O-N 2.94Å; F1135-E1137 PolarHBondContact O-N 2.88Å; E1137-R1139 VanDerWaalsContact C-N 3.29Å; E1137-R1139 PolarHBondContact O-N 3.49Å; E1137-K1140 PolarHBondContact O-N 3.3Å; E1137-N1141 PolarHBondContact O-N 3.34Å; E1137-N1141 PolarHBondContact O-ND2 3.44Å
1138	F	75	Confident	73	Confident	34 Å²	34	71.3 Å²	71.3	15%	0.149	35%	0.348	C	S	.	.	H	α-helix	trans	-60.4	-38.1	177.3	-179.8	-109.3	0	0	0	112.3	F1039 Q1134 F1135 L1142 I1147 V1150 L1151	F1039-F1138 AromaticContact CD2-CD1 3.91Å; F1039-F1138 HydrophobicContact CD2-CD1 3.91Å; F1039-F1138 HydrophobicContact CD2-CE1 4.35Å; F1039-F1138 HydrophobicContact CD2-CG 4.24Å; F1039-F1138 HydrophobicContact CE2-CB 4.03Å; F1039-F1138 HydrophobicContact CE2-CD1 4.21Å; F1039-F1138 HydrophobicContact CE2-CG 4.07Å; Q1134-F1138 VanDerWaalsContact O-CB 3.31Å; Q1134-F1138 WeakPolarHBondContact O-CB 3.33Å; Q1134-F1138 PolarHBondContact O-N 2.92Å; Q1134-F1138 VanDerWaalsContact O-N 3.1Å; F1135-F1138 PolarHBondContact O-N 3.42Å; F1138-L1142 HydrophobicContact CD1-CD1 4.49Å; F1138-L1142 HydrophobicContact CD2-CD1 4.15Å; F1138-L1142 HydrophobicContact CE1-CD1 3.96Å; F1138-L1142 HydrophobicContact CE2-CD1 3.56Å; F1138-L1142 HydrophobicContact CZ-CD1 3.46Å; F1138-L1142 VanDerWaalsContact CZ-CD1 3.46Å; F1138-I1147 HydrophobicContact CE1-CG2 4.12Å; F1138-V1150 HydrophobicContact CE2-CG1 4.3Å; F1138-V1150 HydrophobicContact CZ-CG1 3.93Å; F1138-L1151 HydrophobicContact CE1-CD1 4.08Å; F1138-L1151 HydrophobicContact CE1-CD2 3.64Å; F1138-L1151 HydrophobicContact CE1-CG 3.76Å; F1138-L1151 HydrophobicContact CZ-CD2 3.86Å; F1138-L1151 HydrophobicContact CZ-CG 4.1Å
1139	R	75.6	Confident	72.2	Confident	94 Å²	94	73.3 Å²	73.3	36%	0.355	36%	0.362	S	S	.	.	H	α-helix	trans	-72	-39.8	174.8	-179.6	161.9	-171.1	-128.4	-2.6	112.8	F1135 C1136 E1137 N1141 L1142 D1144 I1147	F1135-R1139 WeakPolarHBondContact O-CB 3.38Å; F1135-R1139 PolarHBondContact O-N 3.14Å; C1136-R1139 PolarHBondContact O-N 3.43Å; E1137-R1139 VanDerWaalsContact C-N 3.29Å; E1137-R1139 PolarHBondContact O-N 3.49Å; R1139-N1141 PolarHBondContact O-N 2.88Å; R1139-L1142 PolarHBondContact O-N 3.44Å; R1139-D1144 IonicContact CZ-OD1 3.79Å; R1139-D1144 IonicContact CZ-OD2 2.68Å; R1139-D1144 IonicContact NE-OD1 2.79Å; R1139-D1144 PolarHBondContact NE-OD1 2.92Å; R1139-D1144 IonicContact NE-OD2 3.58Å; R1139-D1144 IonicContact NH2-OD1 2.8Å; R1139-D1144 PolarHBondContact NH2-OD1 3.47Å; R1139-D1144 IonicContact NH2-OD2 3.65Å; R1139-D1144 PolarHBondContact NH2-OD2 3.01Å; R1139-I1147 HydrophobicContact CB-CD1 3.95Å; R1139-I1147 HydrophobicContact CG-CD1 3.65Å
1140	K	71.8	Confident	71.5	Confident	182 Å²	182	73.5 Å²	73.5	79%	0.791	37%	0.366	S	S	*	.	H	α-helix	trans	-60	-26.4	174.7	-78.1	173.3	179.4	-178.5	0	112.9	C1136 E1137	C1136-K1140 WeakPolarHBondContact O-CB 3.39Å; C1136-K1140 VanDerWaalsContact O-CG 3.3Å; C1136-K1140 WeakPolarHBondContact O-CG 3.35Å; C1136-K1140 PolarHBondContact O-N 3.07Å; E1137-K1140 PolarHBondContact O-N 3.3Å
1141	N	63.9	Low	71	Confident	131 Å²	131	67.2 Å²	67.2	70%	0.701	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	3.1	-178.2	-69.2	-48.5	0	0	0	114.8	E1137 R1139	E1137-N1141 PolarHBondContact O-N 3.34Å; E1137-N1141 PolarHBondContact O-ND2 3.44Å; R1139-N1141 PolarHBondContact O-N 2.88Å
1142	L	64.5	Low	70.5	Confident	56 Å²	56	70 Å²	70	29%	0.293	35%	0.352	S	S	.	.	S	Bend	trans	-143.6	148	-175.3	-69.7	175.1	0	0	0	111.9	F1138 R1139 I1147 V1150	F1138-L1142 HydrophobicContact CD1-CD1 4.49Å; F1138-L1142 HydrophobicContact CD2-CD1 4.15Å; F1138-L1142 HydrophobicContact CE1-CD1 3.96Å; F1138-L1142 HydrophobicContact CE2-CD1 3.56Å; F1138-L1142 HydrophobicContact CZ-CD1 3.46Å; F1138-L1142 VanDerWaalsContact CZ-CD1 3.46Å; R1139-L1142 PolarHBondContact O-N 3.44Å; L1142-I1147 HydrophobicContact CB-CD1 4.4Å; L1142-I1147 HydrophobicContact CB-CG1 3.68Å; L1142-I1147 HydrophobicContact CD1-CG1 4.14Å; L1142-V1150 HydrophobicContact CD1-CG1 4.5Å
1143	T	59.9	Low	69.9	Low	89 Å²	89	76.2 Å²	76.2	55%	0.546	38%	0.375	S	S	.	.			trans	-73.2	143.4	167.7	58.6	0	0	0	0	110.6	E1145 N1146 I1147	T1143-E1145 PolarHBondContact O-N 3.46Å; T1143-N1146 PolarHBondContact O-N 3.32Å; T1143-N1146 PolarHBondContact OG1-ND2 2.89Å; T1143-I1147 PolarHBondContact O-N 2.99Å
1144	D	59.1	Low	69.3	Low	74 Å²	74	80.3 Å²	80.3	40%	0.396	38%	0.384	S	S	.	.	H	α-helix	trans	-55.9	-31.4	-169.1	-92.8	-37.9	0	0	0	114.8	Q1035 R1139	Q1035-D1144 PolarHBondContact NE2-O 2.97Å; Q1035-D1144 PolarHBondContact NE2-OD1 3.2Å; R1139-D1144 IonicContact CZ-OD1 3.79Å; R1139-D1144 IonicContact CZ-OD2 2.68Å; R1139-D1144 IonicContact NE-OD1 2.79Å; R1139-D1144 PolarHBondContact NE-OD1 2.92Å; R1139-D1144 IonicContact NE-OD2 3.58Å; R1139-D1144 IonicContact NH2-OD1 2.8Å; R1139-D1144 PolarHBondContact NH2-OD1 3.47Å; R1139-D1144 IonicContact NH2-OD2 3.65Å; R1139-D1144 PolarHBondContact NH2-OD2 3.01Å
1145	E	59.3	Low	68.8	Low	179 Å²	179	77.7 Å²	77.7	84%	0.836	37%	0.372	S	S	*	.	H	α-helix	trans	-69.8	-36.9	175.8	-59.2	-177.9	160.8	0	0	112.5	T1143	T1143-E1145 PolarHBondContact O-N 3.46Å
1146	N	64.9	Low	68.4	Low	78 Å²	78	81.1 Å²	81.1	42%	0.417	39%	0.387	S	S	.	.	H	α-helix	trans	-76.2	-24.4	-180	-81.4	-56.1	0	0	0	113	T1143 M1148 S1149 V1150	T1143-N1146 PolarHBondContact O-N 3.32Å; T1143-N1146 PolarHBondContact OG1-ND2 2.89Å; N1146-M1148 VanDerWaalsContact C-N 3.34Å; N1146-M1148 PolarHBondContact O-N 2.98Å; N1146-S1149 PolarHBondContact O-N 2.9Å; N1146-S1149 PolarHBondContact O-OG 3.21Å; N1146-V1150 WeakPolarHBondContact O-CB 3.46Å; N1146-V1150 VanDerWaalsContact O-CG2 3.3Å; N1146-V1150 WeakPolarHBondContact O-CG2 3.37Å; N1146-V1150 PolarHBondContact O-N 3.3Å
1147	I	69.7	Low	68.1	Low	0 Å²	0	86.4 Å²	86.4	0%	0	40%	0.403	C	S	.	.	H	α-helix	trans	-54.4	-49.6	179.7	-69.6	177.6	0	0	0	111.1	Q1035 F1138 R1139 L1142 T1143 V1150 L1151	Q1035-I1147 HydrophobicContact CB-CG2 4.17Å; Q1035-I1147 HydrophobicContact CG-CG2 3.97Å; F1138-I1147 HydrophobicContact CE1-CG2 4.12Å; R1139-I1147 HydrophobicContact CB-CD1 3.95Å; R1139-I1147 HydrophobicContact CG-CD1 3.65Å; L1142-I1147 HydrophobicContact CB-CD1 4.4Å; L1142-I1147 HydrophobicContact CB-CG1 3.68Å; L1142-I1147 HydrophobicContact CD1-CG1 4.14Å; T1143-I1147 PolarHBondContact O-N 2.99Å; I1147-V1150 PolarHBondContact O-N 3.32Å; I1147-L1151 HydrophobicContact CG2-CD1 3.83Å; I1147-L1151 WeakPolarHBondContact O-CB 3.38Å; I1147-L1151 VanDerWaalsContact O-CG 3.23Å; I1147-L1151 WeakPolarHBondContact O-CG 3.35Å; I1147-L1151 PolarHBondContact O-N 2.96Å
1148	M	62.9	Low	67.7	Low	53 Å²	53	83.4 Å²	83.4	26%	0.261	39%	0.391	S	S	.	.	H	α-helix	trans	-64.2	-48.2	-179.2	-72.7	-62.6	-60.6	0	0	111.9	Q1035 R1038 N1146 V1150 L1151 E1152	Q1035-M1148 HydrophobicContact CB-SD 4.4Å; Q1035-M1148 HydrophobicContact CG-CG 4.23Å; Q1035-M1148 HydrophobicContact CG-SD 3.85Å; R1038-M1148 HydrophobicContact CG-CE 4.05Å; R1038-M1148 HydrophobicContact CG-SD 4.5Å; N1146-M1148 VanDerWaalsContact C-N 3.34Å; N1146-M1148 PolarHBondContact O-N 2.98Å; M1148-V1150 VanDerWaalsContact C-N 3.29Å; M1148-V1150 PolarHBondContact O-N 3.15Å; M1148-L1151 PolarHBondContact O-N 3.25Å; M1148-E1152 WeakPolarHBondContact CE-OE1 3.15Å; M1148-E1152 WeakPolarHBondContact O-CB 3.28Å; M1148-E1152 WeakPolarHBondContact O-CG 3.47Å; M1148-E1152 PolarHBondContact O-N 2.98Å
1149	S	65.5	Low	67.7	Low	43 Å²	43	86.3 Å²	86.3	30%	0.301	40%	0.404	S	S	.	.	H	α-helix	trans	-66.2	-30.4	-177.5	81.3	0	0	0	0	112.9	N1146 R1153	N1146-S1149 PolarHBondContact O-N 2.9Å; N1146-S1149 PolarHBondContact O-OG 3.21Å; S1149-R1153 WeakPolarHBondContact O-CB 3.29Å; S1149-R1153 WeakPolarHBondContact O-CG 3.34Å; S1149-R1153 PolarHBondContact O-N 2.89Å; S1149-R1153 PolarHBondContact O-NE 2.97Å; S1149-R1153 PolarHBondContact OG-NH2 2.9Å
1150	V	68.9	Low	67.5	Low	39 Å²	39	86.4 Å²	86.4	24%	0.236	41%	0.408	C	S	.	.	H	α-helix	trans	-71.7	-43.9	173.3	172.1	0	0	0	0	110.9	F1138 L1142 N1146 I1147 M1148 R1154	F1138-V1150 HydrophobicContact CE2-CG1 4.3Å; F1138-V1150 HydrophobicContact CZ-CG1 3.93Å; L1142-V1150 HydrophobicContact CD1-CG1 4.5Å; N1146-V1150 WeakPolarHBondContact O-CB 3.46Å; N1146-V1150 VanDerWaalsContact O-CG2 3.3Å; N1146-V1150 WeakPolarHBondContact O-CG2 3.37Å; N1146-V1150 PolarHBondContact O-N 3.3Å; I1147-V1150 PolarHBondContact O-N 3.32Å; M1148-V1150 VanDerWaalsContact C-N 3.29Å; M1148-V1150 PolarHBondContact O-N 3.15Å; V1150-R1154 WeakPolarHBondContact O-CB 3.46Å; V1150-R1154 PolarHBondContact O-N 3.5Å
1151	L	71	Confident	67.6	Low	0 Å²	0	84.3 Å²	84.3	0%	0	40%	0.399	C	S	.	.	H	α-helix	trans	-65	-41.1	177.9	-71.6	174.3	0	0	0	112.2	Q1035 R1038 F1039 L1042 F1138 I1147 M1148 R1154 Q1155	Q1035-L1151 WeakPolarHBondContact O-CD1 3.44Å; R1038-L1151 HydrophobicContact CB-CB 4.15Å; R1038-L1151 HydrophobicContact CB-CD1 3.95Å; F1039-L1151 HydrophobicContact CB-CD1 4.2Å; F1039-L1151 HydrophobicContact CB-CD2 4.03Å; F1039-L1151 HydrophobicContact CD2-CD2 4.15Å; L1042-L1151 HydrophobicContact CD1-CD2 3.63Å; F1138-L1151 HydrophobicContact CE1-CD1 4.08Å; F1138-L1151 HydrophobicContact CE1-CD2 3.64Å; F1138-L1151 HydrophobicContact CE1-CG 3.76Å; F1138-L1151 HydrophobicContact CZ-CD2 3.86Å; F1138-L1151 HydrophobicContact CZ-CG 4.1Å; I1147-L1151 HydrophobicContact CG2-CD1 3.83Å; I1147-L1151 WeakPolarHBondContact O-CB 3.38Å; I1147-L1151 VanDerWaalsContact O-CG 3.23Å; I1147-L1151 WeakPolarHBondContact O-CG 3.35Å; I1147-L1151 PolarHBondContact O-N 2.96Å; M1148-L1151 PolarHBondContact O-N 3.25Å; L1151-R1154 CarbonylContact O-C 3.24Å; L1151-R1154 PolarHBondContact O-N 2.9Å; L1151-Q1155 WeakPolarHBondContact O-CB 3.37Å; L1151-Q1155 PolarHBondContact O-N 3.27Å
1152	E	71.4	Confident	67.9	Low	98 Å²	98	83.4 Å²	83.4	46%	0.458	39%	0.389	S	S	.	.	H	α-helix	trans	-67.6	-44.8	179.1	-72.9	173.1	171.6	0	0	112	M1148 R1154 Q1155 E1156	M1148-E1152 WeakPolarHBondContact CE-OE1 3.15Å; M1148-E1152 WeakPolarHBondContact O-CB 3.28Å; M1148-E1152 WeakPolarHBondContact O-CG 3.47Å; M1148-E1152 PolarHBondContact O-N 2.98Å; E1152-R1154 VanDerWaalsContact C-N 3.26Å; E1152-R1154 PolarHBondContact O-N 3.39Å; E1152-Q1155 PolarHBondContact O-N 3.43Å; E1152-E1156 PolarHBondContact O-N 3.39Å
1153	R	68.8	Low	68.3	Low	156 Å²	156	86.7 Å²	86.7	59%	0.589	40%	0.401	S	S	*	.	H	α-helix	trans	-55.7	-41.3	170.6	-80.7	176.3	-77.7	164.7	-9.2	111.9	S1149 Y1157	S1149-R1153 WeakPolarHBondContact O-CB 3.29Å; S1149-R1153 WeakPolarHBondContact O-CG 3.34Å; S1149-R1153 PolarHBondContact O-N 2.89Å; S1149-R1153 PolarHBondContact O-NE 2.97Å; S1149-R1153 PolarHBondContact OG-NH2 2.9Å; R1153-Y1157 WeakPolarHBondContact O-CB 3.31Å; R1153-Y1157 PolarHBondContact O-N 3.43Å
1154	R	69	Low	68.9	Low	143 Å²	143	87.9 Å²	87.9	54%	0.54	40%	0.403	S	S	.	.	H	α-helix	trans	-73.2	-33.3	179.3	-161.7	166.7	-174.5	176.5	6.9	112.7	L1042 V1150 L1151 E1152 N1158	L1042-R1154 HydrophobicContact CD1-CB 4.05Å; L1042-R1154 HydrophobicContact CD1-CG 3.94Å; L1042-R1154 HydrophobicContact CD2-CB 4.38Å; L1042-R1154 HydrophobicContact CD2-CG 4.32Å; V1150-R1154 WeakPolarHBondContact O-CB 3.46Å; V1150-R1154 PolarHBondContact O-N 3.5Å; L1151-R1154 CarbonylContact O-C 3.24Å; L1151-R1154 PolarHBondContact O-N 2.9Å; E1152-R1154 VanDerWaalsContact C-N 3.26Å; E1152-R1154 PolarHBondContact O-N 3.39Å; R1154-N1158 WeakPolarHBondContact O-CB 3.5Å; R1154-N1158 PolarHBondContact O-N 2.59Å; R1154-N1158 VanDerWaalsContact O-N 3.13Å
1155	Q	68.8	Low	69.3	Low	23 Å²	23	86.4 Å²	86.4	11%	0.107	40%	0.401	C	S	.	.	H	α-helix	trans	-71	-40.6	174.7	-162.9	176.4	32.1	0	0	111.1	L1042 L1151 E1152 N1158 K1159	L1042-Q1155 HydrophobicContact CD2-CB 3.83Å; L1042-Q1155 HydrophobicContact CD2-CG 4.2Å; L1151-Q1155 WeakPolarHBondContact O-CB 3.37Å; L1151-Q1155 PolarHBondContact O-N 3.27Å; E1152-Q1155 PolarHBondContact O-N 3.43Å; Q1155-N1158 PolarHBondContact O-N 2.95Å; Q1155-K1159 WeakPolarHBondContact O-CB 3.29Å; Q1155-K1159 WeakPolarHBondContact O-CG 3.29Å; Q1155-K1159 PolarHBondContact O-N 3.41Å
1156	E	71.1	Confident	70	Confident	72 Å²	72	81.8 Å²	81.8	34%	0.336	39%	0.385	S	S	.	.	H	α-helix	trans	-69.4	-41.1	177.6	-175.5	50.5	-151.3	0	0	112	E1152 N1158 K1159 Q1160	E1152-E1156 PolarHBondContact O-N 3.39Å; E1156-N1158 VanDerWaalsContact C-N 3.33Å; E1156-N1158 PolarHBondContact O-N 2.96Å; E1156-K1159 WeakPolarHBondContact O-CB 3.39Å; E1156-K1159 PolarHBondContact O-N 2.94Å; E1156-K1159 VanDerWaalsContact O-N 3.15Å; E1156-Q1160 WeakPolarHBondContact O-CG 3.37Å; E1156-Q1160 PolarHBondContact O-N 3.42Å; E1156-Q1160 WeakPolarHBondContact OE1-CG 3.34Å; E1156-Q1160 PolarHBondContact OE1-NE2 2.96Å
1157	Y	72.6	Confident	70.4	Confident	149 Å²	149	82.4 Å²	82.4	58%	0.584	39%	0.388	S	S	*	.	H	α-helix	trans	-56.7	-44.8	170.5	179.2	-98	0	0	0	112.3	R1153 Q1160 K1161	R1153-Y1157 WeakPolarHBondContact O-CB 3.31Å; R1153-Y1157 PolarHBondContact O-N 3.43Å; Y1157-Q1160 PolarHBondContact O-N 2.94Å; Y1157-K1161 WeakPolarHBondContact O-CB 3.36Å; Y1157-K1161 PolarHBondContact O-N 3.22Å
1158	N	69.1	Low	70.1	Confident	58 Å²	58	89 Å²	89	31%	0.31	42%	0.419	S	S	.	.	H	α-helix	trans	-65.4	-38.1	175.6	-82	-3.6	0	0	0	112.6	R1154 Q1155 E1156 K1161 K1162	R1154-N1158 WeakPolarHBondContact O-CB 3.5Å; R1154-N1158 PolarHBondContact O-N 2.59Å; R1154-N1158 VanDerWaalsContact O-N 3.13Å; Q1155-N1158 PolarHBondContact O-N 2.95Å; E1156-N1158 VanDerWaalsContact C-N 3.33Å; E1156-N1158 PolarHBondContact O-N 2.96Å; N1158-K1161 PolarHBondContact O-N 3.38Å; N1158-K1162 PolarHBondContact O-N 2.88Å
1159	K	73.3	Confident	70	Confident	96 Å²	96	91.8 Å²	91.8	42%	0.417	43%	0.434	S	S	.	.	H	α-helix	trans	-64	-42.8	173.8	-77.5	172.1	177.3	174.9	0	111.7	Q1155 E1156 K1162 K1163	Q1155-K1159 WeakPolarHBondContact O-CB 3.29Å; Q1155-K1159 WeakPolarHBondContact O-CG 3.29Å; Q1155-K1159 PolarHBondContact O-N 3.41Å; E1156-K1159 WeakPolarHBondContact O-CB 3.39Å; E1156-K1159 PolarHBondContact O-N 2.94Å; E1156-K1159 VanDerWaalsContact O-N 3.15Å; K1159-K1162 PolarHBondContact O-N 3.17Å; K1159-K1163 WeakPolarHBondContact O-CB 3.48Å; K1159-K1163 VanDerWaalsContact O-CG 3.27Å; K1159-K1163 WeakPolarHBondContact O-CG 3.42Å; K1159-K1163 PolarHBondContact O-N 2.86Å
1160	Q	71.4	Confident	69.8	Low	96 Å²	96	94.6 Å²	94.6	45%	0.449	44%	0.443	S	S	.	.	H	α-helix	trans	-63.3	-43.5	175.3	-70.1	172.7	11.5	0	0	111.1	E1156 Y1157 K1162 K1163 L1164	E1156-Q1160 WeakPolarHBondContact O-CG 3.37Å; E1156-Q1160 PolarHBondContact O-N 3.42Å; E1156-Q1160 WeakPolarHBondContact OE1-CG 3.34Å; E1156-Q1160 PolarHBondContact OE1-NE2 2.96Å; Y1157-Q1160 PolarHBondContact O-N 2.94Å; Q1160-K1162 PolarHBondContact O-N 3.36Å; Q1160-K1163 PolarHBondContact O-N 3.39Å; Q1160-L1164 WeakPolarHBondContact O-CB 3.34Å; Q1160-L1164 VanDerWaalsContact O-CG 3.32Å; Q1160-L1164 WeakPolarHBondContact O-CG 3.4Å; Q1160-L1164 PolarHBondContact O-N 2.92Å
1161	K	73.6	Confident	69.3	Low	138 Å²	138	99.1 Å²	99.1	60%	0.6	46%	0.459	S	S	*	.	H	α-helix	trans	-61.4	-43.6	174	-172.1	175.5	179.4	179.5	0	113	Y1157 N1158 L1164 A1165	Y1157-K1161 WeakPolarHBondContact O-CB 3.36Å; Y1157-K1161 PolarHBondContact O-N 3.22Å; N1158-K1161 PolarHBondContact O-N 3.38Å; K1161-L1164 PolarHBondContact O-N 2.94Å; K1161-A1165 PolarHBondContact O-N 3.05Å
1162	K	71.1	Confident	68.2	Low	112 Å²	112	103.2 Å²	103.2	49%	0.487	49%	0.488	S	S	.	.	H	α-helix	trans	-63.7	-43.7	174.5	-75.4	-168.8	-177.8	-177.8	0	111.9	D1045 N1158 K1159 Q1160 L1164 A1165 V1166	D1045-K1162 IonicContact OD1-NZ 2.75Å; D1045-K1162 PolarHBondContact OD1-NZ 3.28Å; D1045-K1162 IonicContact OD2-NZ 3.52Å; D1045-K1162 PolarHBondContact OD2-NZ 3.32Å; N1158-K1162 PolarHBondContact O-N 2.88Å; K1159-K1162 PolarHBondContact O-N 3.17Å; Q1160-K1162 PolarHBondContact O-N 3.36Å; K1162-L1164 VanDerWaalsContact C-N 3.34Å; K1162-L1164 PolarHBondContact O-N 3.31Å; K1162-A1165 PolarHBondContact O-N 3.46Å; K1162-V1166 WeakPolarHBondContact O-CG2 3.42Å; K1162-V1166 PolarHBondContact O-N 3.18Å
1163	K	73.6	Confident	67	Low	125 Å²	125	101.7 Å²	101.7	54%	0.543	50%	0.498	S	S	.	.	H	α-helix	trans	-59.2	-42.3	175.2	-75.2	169.5	179.3	173.6	0	112.1	K1159 Q1160 L1167	K1159-K1163 WeakPolarHBondContact O-CB 3.48Å; K1159-K1163 VanDerWaalsContact O-CG 3.27Å; K1159-K1163 WeakPolarHBondContact O-CG 3.42Å; K1159-K1163 PolarHBondContact O-N 2.86Å; Q1160-K1163 PolarHBondContact O-N 3.39Å; K1163-L1167 WeakPolarHBondContact O-CB 3.42Å; K1163-L1167 PolarHBondContact O-N 2.96Å
1164	L	71.1	Confident	66	Low	113 Å²	113	100.8 Å²	100.8	59%	0.592	50%	0.499	S	S	*	.	H	α-helix	trans	-63.8	-46.4	177.4	-75.1	166.8	0	0	0	111.7	Q1160 K1161 K1162 V1166 L1167 E1168	Q1160-L1164 WeakPolarHBondContact O-CB 3.34Å; Q1160-L1164 VanDerWaalsContact O-CG 3.32Å; Q1160-L1164 WeakPolarHBondContact O-CG 3.4Å; Q1160-L1164 PolarHBondContact O-N 2.92Å; K1161-L1164 PolarHBondContact O-N 2.94Å; K1162-L1164 VanDerWaalsContact C-N 3.34Å; K1162-L1164 PolarHBondContact O-N 3.31Å; L1164-V1166 PolarHBondContact O-N 3.23Å; L1164-L1167 CarbonylContact O-C 3.59Å; L1164-L1167 WeakPolarHBondContact O-CA 3.38Å; L1164-L1167 WeakPolarHBondContact O-CB 3.41Å; L1164-L1167 PolarHBondContact O-N 2.99Å; L1164-L1167 VanDerWaalsContact O-N 3.1Å; L1164-E1168 PolarHBondContact O-N 3.47Å
1165	A	69.3	Low	64.7	Low	43 Å²	43	100.8 Å²	100.8	36%	0.355	51%	0.51	S	S	.	.	H	α-helix	trans	-59.5	-46.3	176.8	0	0	0	0	0	112.3	K1161 K1162 L1167 E1168 D1169	K1161-A1165 PolarHBondContact O-N 3.05Å; K1162-A1165 PolarHBondContact O-N 3.46Å; A1165-L1167 VanDerWaalsContact C-N 3.25Å; A1165-L1167 PolarHBondContact O-N 3.42Å; A1165-E1168 PolarHBondContact O-N 3.32Å; A1165-D1169 PolarHBondContact O-N 3.32Å
1166	V	72.7	Confident	63.3	Low	82 Å²	82	103 Å²	103	50%	0.497	54%	0.538	S	S	.	.	H	α-helix	trans	-61.7	-34	175.4	174.6	0	0	0	0	111.7	K1162 L1164 E1168 E1170	K1162-V1166 WeakPolarHBondContact O-CG2 3.42Å; K1162-V1166 PolarHBondContact O-N 3.18Å; L1164-V1166 PolarHBondContact O-N 3.23Å; V1166-E1168 VanDerWaalsContact C-N 3.33Å; V1166-E1170 VanDerWaalsContact O-CB 3.3Å; V1166-E1170 WeakPolarHBondContact O-CB 3.47Å; V1166-E1170 PolarHBondContact O-N 2.91Å
1167	L	74	Confident	62	Low	92 Å²	92	106.7 Å²	106.7	48%	0.482	56%	0.559	S	S	.	*	H	α-helix	trans	-74.4	-16.6	174.2	-101.2	161.3	0	0	0	114.6	K1163 L1164 A1165 K1171	K1163-L1167 WeakPolarHBondContact O-CB 3.42Å; K1163-L1167 PolarHBondContact O-N 2.96Å; L1164-L1167 CarbonylContact O-C 3.59Å; L1164-L1167 WeakPolarHBondContact O-CA 3.38Å; L1164-L1167 WeakPolarHBondContact O-CB 3.41Å; L1164-L1167 PolarHBondContact O-N 2.99Å; L1164-L1167 VanDerWaalsContact O-N 3.1Å; A1165-L1167 VanDerWaalsContact C-N 3.25Å; A1165-L1167 PolarHBondContact O-N 3.42Å; L1167-K1171 WeakPolarHBondContact O-CD 3.41Å; L1167-K1171 VanDerWaalsContact O-CE 3.32Å; L1167-K1171 WeakPolarHBondContact O-CE 3.48Å; L1167-K1171 VanDerWaalsContact O-CG 3.22Å; L1167-K1171 WeakPolarHBondContact O-CG 3.46Å
1168	E	64.1	Low	60.2	Low	138 Å²	138	109 Å²	109	65%	0.645	57%	0.572	S	S	*	*	H	α-helix	trans	-85.9	-46.3	169.6	-70.3	-176.8	137.7	0	0	110.3	L1164 A1165 V1166 E1170 K1171 S1172	L1164-E1168 PolarHBondContact O-N 3.47Å; A1165-E1168 PolarHBondContact O-N 3.32Å; V1166-E1168 VanDerWaalsContact C-N 3.33Å; E1168-E1170 PolarHBondContact O-N 3.45Å; E1168-K1171 PolarHBondContact O-N 2.88Å; E1168-K1171 VanDerWaalsContact O-N 3.13Å; E1168-S1172 PolarHBondContact O-N 3.21Å
1169	D	60.3	Low	58.4	Low	111 Å²	111	115.2 Å²	115.2	59%	0.594	60%	0.599	S	S	*	*	H	α-helix	trans	-58.1	-48.7	175.1	-72.8	-27.6	0	0	0	111.2	A1165 K1171 S1172 G1173	A1165-D1169 PolarHBondContact O-N 3.32Å; D1169-K1171 PolarHBondContact O-N 2.93Å; D1169-S1172 PolarHBondContact O-N 3.32Å; D1169-S1172 PolarHBondContact O-OG 3.09Å; D1169-G1173 PolarHBondContact O-N 3.38Å
1170	E	61.3	Low	56.2	Low	103 Å²	103	122.3 Å²	122.3	48%	0.481	63%	0.625	S	S	.	*	H	α-helix	trans	-60.2	-28.6	176.5	-94.1	-153.7	-148.3	0	0	114.2	V1166 E1168 K1174	V1166-E1170 VanDerWaalsContact O-CB 3.3Å; V1166-E1170 WeakPolarHBondContact O-CB 3.47Å; V1166-E1170 PolarHBondContact O-N 2.91Å; E1168-E1170 PolarHBondContact O-N 3.45Å; E1170-K1174 VanDerWaalsContact O-CD 3.29Å; E1170-K1174 WeakPolarHBondContact O-CD 3.16Å; E1170-K1174 VanDerWaalsContact O-CG 3.31Å; E1170-K1174 WeakPolarHBondContact O-CG 3.15Å; E1170-K1174 IonicContact OE2-NZ 3.06Å; E1170-K1174 PolarHBondContact OE2-NZ 2.92Å
1171	K	57.2	Low	54	Low	133 Å²	133	121.9 Å²	121.9	58%	0.578	64%	0.638	S	S	*	*	H	α-helix	trans	-75.5	-47.6	175.5	-74.4	171.1	-169	169.2	0	110.3	L1167 E1168 D1169 G1173 K1174 D1175	L1167-K1171 WeakPolarHBondContact O-CD 3.41Å; L1167-K1171 VanDerWaalsContact O-CE 3.32Å; L1167-K1171 WeakPolarHBondContact O-CE 3.48Å; L1167-K1171 VanDerWaalsContact O-CG 3.22Å; L1167-K1171 WeakPolarHBondContact O-CG 3.46Å; E1168-K1171 PolarHBondContact O-N 2.88Å; E1168-K1171 VanDerWaalsContact O-N 3.13Å; D1169-K1171 PolarHBondContact O-N 2.93Å; K1171-G1173 PolarHBondContact O-N 2.87Å; K1171-K1174 PolarHBondContact O-N 3.09Å; K1171-D1175 PolarHBondContact O-N 3.35Å
1172	S	49.5	Very low	51.7	Low	87 Å²	87	122.4 Å²	122.4	61%	0.608	65%	0.647	S	S	*	*	H	α-helix	trans	-57.9	-34.2	177	74.4	0	0	0	0	112.9	E1168 D1169 K1174	E1168-S1172 PolarHBondContact O-N 3.21Å; D1169-S1172 PolarHBondContact O-N 3.32Å; D1169-S1172 PolarHBondContact O-OG 3.09Å; S1172-K1174 VanDerWaalsContact C-N 3.31Å; S1172-K1174 PolarHBondContact O-N 3.34Å
1173	G	46	Very low	49.5	Very low	65 Å²	65	123.3 Å²	123.3	67%	0.67	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	-12.1	175.4	0	0	0	0	0	115.4	D1169 K1171	D1169-G1173 PolarHBondContact O-N 3.38Å; K1171-G1173 PolarHBondContact O-N 2.87Å
1174	K	47.6	Very low	47.2	Very low	137 Å²	137	123 Å²	123	60%	0.596	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.8	-19	-176.1	-75.2	170.3	-174.6	165.2	0	114.1	E1170 K1171 S1172 G1176	E1170-K1174 VanDerWaalsContact O-CD 3.29Å; E1170-K1174 WeakPolarHBondContact O-CD 3.16Å; E1170-K1174 VanDerWaalsContact O-CG 3.31Å; E1170-K1174 WeakPolarHBondContact O-CG 3.15Å; E1170-K1174 IonicContact OE2-NZ 3.06Å; E1170-K1174 PolarHBondContact OE2-NZ 2.92Å; K1171-K1174 PolarHBondContact O-N 3.09Å; S1172-K1174 VanDerWaalsContact C-N 3.31Å; S1172-K1174 PolarHBondContact O-N 3.34Å; K1174-G1176 PolarHBondContact O-N 2.85Å
1175	D	40.4	Very low	45	Very low	144 Å²	144	124.1 Å²	124.1	77%	0.77	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	-9.4	176.6	-72.7	-28.3	0	0	0	113.9	K1171 I1177	K1171-D1175 PolarHBondContact O-N 3.35Å; D1175-I1177 VanDerWaalsContact C-N 3.33Å; D1175-I1177 PolarHBondContact O-N 2.85Å
1176	G	40.8	Very low	43.4	Very low	69 Å²	69	127.5 Å²	127.5	71%	0.711	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.5	-16.7	179.6	0	0	0	0	0	115.9	K1174	K1174-G1176 PolarHBondContact O-N 2.85Å
1177	I	43.4	Very low	41	Very low	149 Å²	149	127.8 Å²	127.8	76%	0.764	72%	0.717	S	S	*	*	S	Bend	trans	-140.4	83.4	-176	-49.3	179	0	0	0	111.6	D1175	D1175-I1177 VanDerWaalsContact C-N 3.33Å; D1175-I1177 PolarHBondContact O-N 2.85Å
1178	K	35.3	Very low	38.8	Very low	199 Å²	199	130.8 Å²	130.8	87%	0.865	73%	0.731	S	S	*	*			trans	170.8	100	144.7	-94.8	153.8	-172.7	175.7	0	112.4
1179	Q	30.2	Very low	36.8	Very low	188 Å²	188	133 Å²	133	88%	0.879	74%	0.739	S	S	*	*			trans	-145.8	97.2	151.4	-75.4	-159.3	7.6	0	0	111.1
1180	Y	27.2	Very low	35	Very low	244 Å²	244	133.8 Å²	133.8	96%	0.957	75%	0.748	S	S	*	*			trans	-171.4	90.8	147.6	-100.2	-63.1	0	0	0	109.4
1181	A	24.8	Very low	33.2	Very low	87 Å²	87	133.2 Å²	133.2	72%	0.719	76%	0.761	S	S	*	*			trans	169.8	112.2	149.6	0	0	0	0	0	112.2
1182	N	26.5	Very low	31.6	Very low	149 Å²	149	134.5 Å²	134.5	80%	0.797	77%	0.773	S	S	*	*			trans	57.8	102.1	138.4	-54	-9.7	0	0	0	121.5
1183	T	25.3	Very low	30.4	Very low	131 Å²	131	137.5 Å²	137.5	80%	0.804	78%	0.781	S	S	*	*				51	105.4	113.4	-45.6	0	0	0	0	120
1184	S	24.6	Very low	29.3	Very low	118 Å²	118	138.5 Å²	138.5	83%	0.825	78%	0.778	S	S	*	*				178.6	162.9	114.7	43.3	0	0	0	0	114
1185	V	24.4	Very low	28	Very low	138 Å²	138	139.3 Å²	139.3	84%	0.836	79%	0.789	S	S	*	*			trans	-125.5	146	-177.4	160.4	0	0	0	0	105
1186	P	35.9	Very low	27.2	Very low	114 Å²	114	137.2 Å²	137.2	74%	0.74	79%	0.786	S	S	*	*			cis	-144.8	177.6	46	27.7	-1.5	0	0	0	118.8
1187	A	22.4	Very low	26.5	Very low	88 Å²	88	143.7 Å²	143.7	73%	0.727	79%	0.794	S	S	*	*			trans	20.1	149.6	139.1	0	0	0	0	0	121
1188	I	26.7	Very low	25.6	Very low	154 Å²	154	144.7 Å²	144.7	79%	0.79	80%	0.8	S	S	*	*				-154.4	156.2	64.5	-80.6	167.4	0	0	0	113.6
1189	K	23.6	Very low	25	Very low	185 Å²	185	138.5 Å²	138.5	80%	0.804	79%	0.794	S	S	*	*			trans	-25.9	160.1	163.4	-50.4	168.9	-175.4	175.3	0	115.8
1190	T	22.1	Very low	24.8	Very low	127 Å²	127	137.7 Å²	137.7	78%	0.779	79%	0.794	S	S	*	*			cis	-171.5	156.8	48.9	-41.1	0	0	0	0	112.9
1191	A	22.8	Very low	24.7	Very low	91 Å²	91	133.5 Å²	133.5	75%	0.752	78%	0.784	S	S	*	*			trans	60	125	163.4	0	0	0	0	0	118.4
1192	L	24.3	Very low	24.7	Very low	160 Å²	160	135.4 Å²	135.4	84%	0.838	79%	0.788	S	S	*	*			cis	91	108.9	20.1	-158.5	157.6	0	0	0	115.5
1193	L	24.7	Very low	24.7	Very low	150 Å²	150	138.4 Å²	138.4	79%	0.785	79%	0.79	S	S	*	*			trans	178.5	109	144.3	-92.5	166.7	0	0	0	106
1194	S	22.2	Very low	24.8	Very low	86 Å²	86	135.8 Å²	135.8	60%	0.601	79%	0.789	S	S	*	*				55.3	126.7	103	71.2	0	0	0	0	114.6
1195	D	21.3	Very low	25	Very low	155 Å²	155	141.6 Å²	141.6	83%	0.829	79%	0.793	S	S	*	*			cis	-162.3	-176.3	9.6	-135.6	-43.4	0	0	0	112.1
1196	S	23.7	Very low	25.2	Very low	99 Å²	99	143.5 Å²	143.5	69%	0.692	79%	0.793	S	S	*	*			trans	88.9	111	164	-56.7	0	0	0	0	120.3
1197	F	24.4	Very low	25	Very low	205 Å²	205	143.9 Å²	143.9	90%	0.899	80%	0.795	S	S	*	*			trans	72.3	109.2	150.9	-78.9	-88	0	0	0	122.1
1198	L	25.9	Very low	25.4	Very low	170 Å²	170	145.1 Å²	145.1	89%	0.89	79%	0.794	S	S	*	*			trans	-52.8	153.4	154.7	-59.8	152	0	0	0	111.4
1199	G	22	Very low	25.8	Very low	70 Å²	70	147.8 Å²	147.8	72%	0.722	79%	0.794	S	S	*	*			cis	116.6	75.3	11.2	0	0	0	0	0	111.5
1200	L	26.1	Very low	26.8	Very low	170 Å²	170	141.5 Å²	141.5	89%	0.89	77%	0.773	S	S	*	*			trans	-122.8	126.9	172.1	-82.2	171.9	0	0	0	109.9
1201	Q	24.2	Very low	28	Very low	157 Å²	157	143.7 Å²	143.7	73%	0.734	77%	0.768	S	S	*	*			trans	-73	144.4	177.6	-70.8	-177.4	-50.5	0	0	112	Y1203	Q1201-Y1203 PolarHBondContact O-N 3.39Å
1202	P	25.8	Very low	29.6	Very low	126 Å²	126	143.2 Å²	143.2	82%	0.818	76%	0.76	S	S	*	*			trans	-76.3	112.9	164.4	31.2	-31.2	0	0	0	110.2
1203	Y	26.5	Very low	31.4	Very low	212 Å²	212	142 Å²	142	83%	0.831	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-75	146.4	165.3	-91.7	-100.4	0	0	0	110.6	Q1201	Q1201-Y1203 PolarHBondContact O-N 3.39Å
1204	G	27.4	Very low	33.4	Very low	77 Å²	77	139.6 Å²	139.6	79%	0.794	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-64.7	150.2	-158	0	0	0	0	0	116.9
1205	R	28.5	Very low	35.8	Very low	239 Å²	239	138.2 Å²	138.2	90%	0.902	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-75.7	143.2	163.6	-72.3	-173.1	175.4	-141.9	-0	110.4
1206	Q	28.6	Very low	37.9	Very low	179 Å²	179	135.9 Å²	135.9	84%	0.836	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-68.6	146.8	164.2	-69.8	177	-27	0	0	110.7	T1208	Q1206-T1208 PolarHBondContact O-N 3.45Å
1207	P	32.3	Very low	40.1	Very low	121 Å²	121	133.5 Å²	133.5	79%	0.786	68%	0.684	S	S	*	*			trans	-78.1	101.1	176.6	30.9	-33.2	0	0	0	110.8	W1209	P1207-W1209 PolarHBondContact O-N 3.16Å
1208	T	29.4	Very low	41.8	Very low	115 Å²	115	126.1 Å²	126.1	71%	0.706	65%	0.654	S	S	*	*			trans	-68.6	117.8	169.6	46	0	0	0	0	110.3	Q1206 C1210	Q1206-T1208 PolarHBondContact O-N 3.45Å; T1208-C1210 PolarHBondContact O-N 2.82Å
1209	W	35.8	Very low	43.9	Very low	210 Å²	210	123 Å²	123	80%	0.795	64%	0.635	S	S	*	*			trans	-78.7	117.5	178.4	-123.9	68.2	0	0	0	110	P1207 Y1214	P1207-W1209 PolarHBondContact O-N 3.16Å; W1209-Y1214 AromaticContact CH2-CD2 3.44Å; W1209-Y1214 HydrophobicContact CH2-CD2 3.44Å; W1209-Y1214 VanDerWaalsContact CH2-CD2 3.44Å; W1209-Y1214 AromaticContact CH2-CE2 3.9Å; W1209-Y1214 HydrophobicContact CH2-CE2 3.9Å; W1209-Y1214 AromaticContact CH2-CG 4Å; W1209-Y1214 HydrophobicContact CH2-CG 4Å; W1209-Y1214 HydrophobicContact CZ2-CD2 4.16Å; W1209-Y1214 AromaticContact CZ3-CD2 4Å; W1209-Y1214 HydrophobicContact CZ3-CD2 4Å; W1209-Y1214 HydrophobicContact CZ3-CG 4.08Å
1210	C	44.3	Very low	45.6	Very low	53 Å²	53	124.9 Å²	124.9	36%	0.358	63%	0.625	S	S	.	*			trans	-116	132.4	177.6	-62.4	0	0	0	0	109.7	T1208 S1212 K1213 Y1214	T1208-C1210 PolarHBondContact O-N 2.82Å; C1210-S1212 PolarHBondContact O-N 3.05Å; C1210-S1212 VanDerWaalsContact O-N 3.16Å; C1210-K1213 HydrophobicContact CB-CG 4.42Å; C1210-K1213 PolarHBondContact O-N 3.43Å; C1210-Y1214 PolarHBondContact O-N 3.14Å
1211	Y	48.4	Very low	47.7	Very low	173 Å²	173	122.1 Å²	122.1	68%	0.678	61%	0.607	S	S	*	*	H	α-helix	trans	-56.5	-33.1	179.3	-176.3	-99.6	0	0	0	112.9	Y1214 I1215	Y1211-Y1214 HydrophobicContact CD2-CD1 4.47Å; Y1211-Y1214 HydrophobicContact CE2-CD1 4.48Å; Y1211-Y1214 PolarHBondContact O-N 3.27Å; Y1211-I1215 HydrophobicContact CD1-CG1 3.98Å; Y1211-I1215 HydrophobicContact CE1-CD1 4.02Å; Y1211-I1215 HydrophobicContact CE1-CG1 3.59Å; Y1211-I1215 HydrophobicContact CE2-CD1 4.43Å; Y1211-I1215 HydrophobicContact CE2-CG1 4.45Å; Y1211-I1215 WeakPolarHBondContact O-CG1 3.42Å; Y1211-I1215 PolarHBondContact O-N 3.47Å
1212	S	56.1	Low	50	Low	81 Å²	81	122.9 Å²	122.9	57%	0.566	60%	0.604	S	S	*	*	H	α-helix	trans	-57.6	-47.3	172.3	46.9	0	0	0	0	112.8	C1210 Y1214 I1215 E1216	C1210-S1212 PolarHBondContact O-N 3.05Å; C1210-S1212 VanDerWaalsContact O-N 3.16Å; S1212-Y1214 VanDerWaalsContact C-N 3.3Å; S1212-Y1214 PolarHBondContact O-N 2.83Å; S1212-I1215 PolarHBondContact O-N 2.86Å; S1212-E1216 WeakPolarHBondContact O-CB 3.35Å; S1212-E1216 PolarHBondContact O-N 3.12Å
1213	K	61.1	Low	52.7	Low	133 Å²	133	121.8 Å²	121.8	58%	0.578	59%	0.59	S	S	*	*	H	α-helix	trans	-67.5	-29.7	177.4	-68.6	-170.7	172.9	-171.1	0	112.9	C1210 A1217	C1210-K1213 HydrophobicContact CB-CG 4.42Å; C1210-K1213 PolarHBondContact O-N 3.43Å; K1213-A1217 VanDerWaalsContact O-CB 3.29Å; K1213-A1217 WeakPolarHBondContact O-CB 3.3Å; K1213-A1217 PolarHBondContact O-N 3.09Å
1214	Y	67.3	Low	55	Low	100 Å²	100	117.1 Å²	117.1	39%	0.392	58%	0.579	S	S	.	*	H	α-helix	trans	-70.6	-41.8	173.7	176.9	-108.8	0	0	0	111.8	W1209 C1210 Y1211 S1212 A1217 L1218	W1209-Y1214 AromaticContact CH2-CD2 3.44Å; W1209-Y1214 HydrophobicContact CH2-CD2 3.44Å; W1209-Y1214 VanDerWaalsContact CH2-CD2 3.44Å; W1209-Y1214 AromaticContact CH2-CE2 3.9Å; W1209-Y1214 HydrophobicContact CH2-CE2 3.9Å; W1209-Y1214 AromaticContact CH2-CG 4Å; W1209-Y1214 HydrophobicContact CH2-CG 4Å; W1209-Y1214 HydrophobicContact CZ2-CD2 4.16Å; W1209-Y1214 AromaticContact CZ3-CD2 4Å; W1209-Y1214 HydrophobicContact CZ3-CD2 4Å; W1209-Y1214 HydrophobicContact CZ3-CG 4.08Å; C1210-Y1214 PolarHBondContact O-N 3.14Å; Y1211-Y1214 HydrophobicContact CD2-CD1 4.47Å; Y1211-Y1214 HydrophobicContact CE2-CD1 4.48Å; Y1211-Y1214 PolarHBondContact O-N 3.27Å; S1212-Y1214 VanDerWaalsContact C-N 3.3Å; S1212-Y1214 PolarHBondContact O-N 2.83Å; Y1214-A1217 PolarHBondContact O-N 2.97Å; Y1214-L1218 HydrophobicContact CD1-CD1 4.04Å; Y1214-L1218 HydrophobicContact CE1-CD1 3.49Å; Y1214-L1218 VanDerWaalsContact CE1-CD1 3.49Å; Y1214-L1218 HydrophobicContact CE1-CG 4.32Å; Y1214-L1218 HydrophobicContact CE2-CD1 4.33Å; Y1214-L1218 HydrophobicContact CE2-CG 4.33Å; Y1214-L1218 WeakPolarHBondContact O-CG 3.45Å; Y1214-L1218 PolarHBondContact O-N 3.33Å
1215	I	72.3	Confident	57.2	Low	57 Å²	57	118.8 Å²	118.8	29%	0.292	57%	0.569	S	S	.	*	H	α-helix	trans	-65.3	-43.7	173	-66.7	-65.6	0	0	0	111.2	Y1211 S1212 A1217 L1218 E1219	Y1211-I1215 HydrophobicContact CD1-CG1 3.98Å; Y1211-I1215 HydrophobicContact CE1-CD1 4.02Å; Y1211-I1215 HydrophobicContact CE1-CG1 3.59Å; Y1211-I1215 HydrophobicContact CE2-CD1 4.43Å; Y1211-I1215 HydrophobicContact CE2-CG1 4.45Å; Y1211-I1215 WeakPolarHBondContact O-CG1 3.42Å; Y1211-I1215 PolarHBondContact O-N 3.47Å; S1212-I1215 PolarHBondContact O-N 2.86Å; I1215-A1217 VanDerWaalsContact C-N 3.32Å; I1215-A1217 PolarHBondContact O-N 2.94Å; I1215-L1218 HydrophobicContact CD1-CD1 4.45Å; I1215-L1218 PolarHBondContact O-N 2.97Å; I1215-L1218 VanDerWaalsContact O-N 3.17Å; I1215-E1219 WeakPolarHBondContact O-CG 3.47Å; I1215-E1219 PolarHBondContact O-N 3.38Å
1216	E	65	Low	59.5	Low	107 Å²	107	113.7 Å²	113.7	50%	0.5	55%	0.553	S	S	.	*	H	α-helix	trans	-58.5	-42.2	174.6	-174.7	178	-165.9	0	0	111.7	S1212 E1219 Q1220	S1212-E1216 WeakPolarHBondContact O-CB 3.35Å; S1212-E1216 PolarHBondContact O-N 3.12Å; E1216-E1219 PolarHBondContact O-N 3.47Å; E1216-Q1220 VanDerWaalsContact O-CG 3.3Å; E1216-Q1220 WeakPolarHBondContact O-CG 3.28Å; E1216-Q1220 PolarHBondContact O-N 3.41Å
1217	A	70	Confident	61.9	Low	49 Å²	49	109.7 Å²	109.7	41%	0.405	54%	0.537	S	S	.	.	H	α-helix	trans	-65.3	-41.4	173.7	0	0	0	0	0	112.8	K1213 Y1214 I1215 E1219 Q1220 E1221	K1213-A1217 VanDerWaalsContact O-CB 3.29Å; K1213-A1217 WeakPolarHBondContact O-CB 3.3Å; K1213-A1217 PolarHBondContact O-N 3.09Å; Y1214-A1217 PolarHBondContact O-N 2.97Å; I1215-A1217 VanDerWaalsContact C-N 3.32Å; I1215-A1217 PolarHBondContact O-N 2.94Å; A1217-E1219 VanDerWaalsContact C-N 3.32Å; A1217-E1219 PolarHBondContact O-N 2.85Å; A1217-Q1220 PolarHBondContact O-N 2.85Å; A1217-E1221 WeakPolarHBondContact O-CB 3.19Å; A1217-E1221 PolarHBondContact O-N 2.85Å
1218	L	61.2	Low	63.7	Low	50 Å²	50	108.9 Å²	108.9	26%	0.262	52%	0.522	S	S	.	.	H	α-helix	trans	-66.4	-31.8	175.1	-74.6	175.5	0	0	0	112.8	Y1214 I1215 R1222	Y1214-L1218 HydrophobicContact CD1-CD1 4.04Å; Y1214-L1218 HydrophobicContact CE1-CD1 3.49Å; Y1214-L1218 VanDerWaalsContact CE1-CD1 3.49Å; Y1214-L1218 HydrophobicContact CE1-CG 4.32Å; Y1214-L1218 HydrophobicContact CE2-CD1 4.33Å; Y1214-L1218 HydrophobicContact CE2-CG 4.33Å; Y1214-L1218 WeakPolarHBondContact O-CG 3.45Å; Y1214-L1218 PolarHBondContact O-N 3.33Å; I1215-L1218 HydrophobicContact CD1-CD1 4.45Å; I1215-L1218 PolarHBondContact O-N 2.97Å; I1215-L1218 VanDerWaalsContact O-N 3.17Å; L1218-R1222 WeakPolarHBondContact O-CB 3.36Å; L1218-R1222 VanDerWaalsContact O-CG 3.27Å; L1218-R1222 WeakPolarHBondContact O-CG 3.27Å; L1218-R1222 PolarHBondContact O-N 3.39Å
1219	E	69.3	Low	65.7	Low	105 Å²	105	107.8 Å²	107.8	49%	0.491	51%	0.509	S	S	.	.	H	α-helix	trans	-72.6	-40.2	173.6	-72.8	-175.8	163.2	0	0	111.4	I1215 E1216 A1217 R1222 I1223	I1215-E1219 WeakPolarHBondContact O-CG 3.47Å; I1215-E1219 PolarHBondContact O-N 3.38Å; E1216-E1219 PolarHBondContact O-N 3.47Å; A1217-E1219 VanDerWaalsContact C-N 3.32Å; A1217-E1219 PolarHBondContact O-N 2.85Å; E1219-R1222 PolarHBondContact O-N 2.9Å; E1219-I1223 WeakPolarHBondContact O-CD1 3.47Å; E1219-I1223 VanDerWaalsContact O-CG1 3.27Å; E1219-I1223 WeakPolarHBondContact O-CG1 3.27Å; E1219-I1223 PolarHBondContact O-N 3.31Å
1220	Q	58.5	Low	67.5	Low	108 Å²	108	102.2 Å²	102.2	51%	0.505	49%	0.492	S	S	.	.	H	α-helix	trans	-61.8	-42.4	170.5	-70.5	172.6	18.2	0	0	111.8	E1216 A1217 I1223 L1224	E1216-Q1220 VanDerWaalsContact O-CG 3.3Å; E1216-Q1220 WeakPolarHBondContact O-CG 3.28Å; E1216-Q1220 PolarHBondContact O-N 3.41Å; A1217-Q1220 PolarHBondContact O-N 2.85Å; Q1220-I1223 PolarHBondContact O-N 3.21Å; Q1220-L1224 WeakPolarHBondContact O-CG 3.41Å; Q1220-L1224 PolarHBondContact O-N 3.25Å
1221	E	69.6	Low	68.4	Low	112 Å²	112	104.2 Å²	104.2	52%	0.523	50%	0.499	S	S	.	.	H	α-helix	trans	-63.7	-42.1	176.2	-171.9	171.7	-140.2	0	0	111.8	A1217 I1223 L1224 L1225	A1217-E1221 WeakPolarHBondContact O-CB 3.19Å; A1217-E1221 PolarHBondContact O-N 2.85Å; E1221-I1223 VanDerWaalsContact C-N 3.34Å; E1221-I1223 PolarHBondContact O-N 3.45Å; E1221-L1224 PolarHBondContact O-N 2.95Å; E1221-L1225 HydrophobicContact CG-CD1 4.25Å; E1221-L1225 WeakPolarHBondContact O-CB 3.37Å; E1221-L1225 VanDerWaalsContact O-CG 3.31Å; E1221-L1225 WeakPolarHBondContact O-CG 3.42Å; E1221-L1225 PolarHBondContact O-N 3.24Å
1222	R	72.9	Confident	69.1	Low	174 Å²	174	100 Å²	100	66%	0.657	49%	0.485	S	S	*	.	H	α-helix	trans	-61	-39.3	171.4	-77.5	169.9	174.6	176.9	-1.3	113	L1218 E1219 K1226	L1218-R1222 WeakPolarHBondContact O-CB 3.36Å; L1218-R1222 VanDerWaalsContact O-CG 3.27Å; L1218-R1222 WeakPolarHBondContact O-CG 3.27Å; L1218-R1222 PolarHBondContact O-N 3.39Å; E1219-R1222 PolarHBondContact O-N 2.9Å; R1222-K1226 WeakPolarHBondContact O-CB 3.31Å; R1222-K1226 PolarHBondContact O-N 2.98Å
1223	I	81.6	Confident	69.6	Low	102 Å²	102	101.6 Å²	101.6	52%	0.523	48%	0.482	S	S	.	.	H	α-helix	trans	-66.5	-44.3	176.5	-70.2	162.6	0	0	0	110.2	E1219 Q1220 E1221 K1226 I1227	E1219-I1223 WeakPolarHBondContact O-CD1 3.47Å; E1219-I1223 VanDerWaalsContact O-CG1 3.27Å; E1219-I1223 WeakPolarHBondContact O-CG1 3.27Å; E1219-I1223 PolarHBondContact O-N 3.31Å; Q1220-I1223 PolarHBondContact O-N 3.21Å; E1221-I1223 VanDerWaalsContact C-N 3.34Å; E1221-I1223 PolarHBondContact O-N 3.45Å; I1223-K1226 PolarHBondContact O-N 2.89Å; I1223-I1227 HydrophobicContact CG2-CD1 3.87Å; I1223-I1227 VanDerWaalsContact O-CG1 3.32Å; I1223-I1227 WeakPolarHBondContact O-CG1 3.35Å; I1223-I1227 PolarHBondContact O-N 3.45Å
1224	L	74.5	Confident	69.7	Low	115 Å²	115	101.8 Å²	101.8	60%	0.602	48%	0.483	S	S	*	.	H	α-helix	trans	-63.2	-43.7	176.1	-71	171.3	0	0	0	112	Q1220 E1221 K1226 I1227 Q1228	Q1220-L1224 WeakPolarHBondContact O-CG 3.41Å; Q1220-L1224 PolarHBondContact O-N 3.25Å; E1221-L1224 PolarHBondContact O-N 2.95Å; L1224-K1226 VanDerWaalsContact C-N 3.31Å; L1224-K1226 PolarHBondContact O-N 2.83Å; L1224-I1227 PolarHBondContact O-N 3.48Å; L1224-Q1228 WeakPolarHBondContact O-CB 3.45Å; L1224-Q1228 PolarHBondContact O-N 3.39Å
1225	L	75.5	Confident	68.9	Low	111 Å²	111	102.3 Å²	102.3	58%	0.581	49%	0.492	S	S	*	.	H	α-helix	trans	-61.9	-36.3	174.3	-73.9	169.1	0	0	0	112.3	E1221 Q1228 E1229	E1221-L1225 HydrophobicContact CG-CD1 4.25Å; E1221-L1225 WeakPolarHBondContact O-CB 3.37Å; E1221-L1225 VanDerWaalsContact O-CG 3.31Å; E1221-L1225 WeakPolarHBondContact O-CG 3.42Å; E1221-L1225 PolarHBondContact O-N 3.24Å; L1225-Q1228 WeakPolarHBondContact O-CB 3.32Å; L1225-Q1228 PolarHBondContact O-N 2.76Å; L1225-E1229 WeakPolarHBondContact O-CB 3.4Å; L1225-E1229 PolarHBondContact O-N 3.42Å
1226	K	75.4	Confident	67.8	Low	132 Å²	132	107.3 Å²	107.3	57%	0.574	51%	0.511	S	S	*	.	H	α-helix	trans	-70.8	-37	175.3	-166.7	178.1	-178.7	-177.3	0	112.5	R1222 I1223 L1224 E1229 E1230	R1222-K1226 WeakPolarHBondContact O-CB 3.31Å; R1222-K1226 PolarHBondContact O-N 2.98Å; I1223-K1226 PolarHBondContact O-N 2.89Å; L1224-K1226 VanDerWaalsContact C-N 3.31Å; L1224-K1226 PolarHBondContact O-N 2.83Å; K1226-E1229 PolarHBondContact O-N 2.94Å; K1226-E1230 PolarHBondContact O-N 2.97Å
1227	I	80.2	Confident	67	Low	96 Å²	96	106.5 Å²	106.5	49%	0.492	52%	0.523	S	S	.	.	H	α-helix	trans	-66.2	-43.1	173.2	-68.7	164.9	0	0	0	110.3	I1223 L1224 E1230 L1231	I1223-I1227 HydrophobicContact CG2-CD1 3.87Å; I1223-I1227 VanDerWaalsContact O-CG1 3.32Å; I1223-I1227 WeakPolarHBondContact O-CG1 3.35Å; I1223-I1227 PolarHBondContact O-N 3.45Å; L1224-I1227 PolarHBondContact O-N 3.48Å; I1227-E1230 PolarHBondContact O-N 3.25Å; I1227-L1231 WeakPolarHBondContact O-CB 3.35Å; I1227-L1231 PolarHBondContact O-N 3.06Å
1228	Q	68.8	Low	65.8	Low	104 Å²	104	107.1 Å²	107.1	49%	0.486	54%	0.535	S	S	.	.	H	α-helix	trans	-56.3	-50.4	172.3	-178.9	80.4	19.8	0	0	110.5	L1224 L1225 E1230 L1231 E1232	L1224-Q1228 WeakPolarHBondContact O-CB 3.45Å; L1224-Q1228 PolarHBondContact O-N 3.39Å; L1225-Q1228 WeakPolarHBondContact O-CB 3.32Å; L1225-Q1228 PolarHBondContact O-N 2.76Å; Q1228-E1230 VanDerWaalsContact C-N 3.35Å; Q1228-E1230 PolarHBondContact O-N 2.82Å; Q1228-L1231 PolarHBondContact O-N 3.4Å; Q1228-L1231 VanDerWaalsContact O-N 3.08Å; Q1228-E1232 WeakPolarHBondContact CG-OE1 3.43Å; Q1228-E1232 PolarHBondContact NE2-OE1 2.92Å; Q1228-E1232 WeakPolarHBondContact O-CB 3.36Å; Q1228-E1232 WeakPolarHBondContact O-CG 3.48Å; Q1228-E1232 PolarHBondContact O-N 3.34Å
1229	E	72.2	Confident	64.8	Low	92 Å²	92	111.5 Å²	111.5	43%	0.43	56%	0.557	S	S	.	*	H	α-helix	trans	-62	-38.4	179	-162	-159.6	178.8	0	0	112.4	L1225 K1226 K1233	L1225-E1229 WeakPolarHBondContact O-CB 3.4Å; L1225-E1229 PolarHBondContact O-N 3.42Å; K1226-E1229 PolarHBondContact O-N 2.94Å; E1229-K1233 HydrophobicContact CG-CD 4.42Å; E1229-K1233 WeakPolarHBondContact O-CB 3.48Å; E1229-K1233 WeakPolarHBondContact O-CD 3.2Å; E1229-K1233 WeakPolarHBondContact O-CG 3.37Å; E1229-K1233 PolarHBondContact O-N 3.08Å; E1229-K1233 VanDerWaalsContact OE1-CE 3.25Å; E1229-K1233 WeakPolarHBondContact OE1-CE 3.43Å; E1229-K1233 IonicContact OE1-NZ 2.63Å; E1229-K1233 PolarHBondContact OE1-NZ 2.94Å; E1229-K1233 IonicContact OE2-NZ 3.34Å; E1229-K1233 PolarHBondContact OE2-NZ 3.34Å
1230	E	72.8	Confident	63.2	Low	92 Å²	92	115.5 Å²	115.5	43%	0.43	58%	0.576	S	S	.	*	H	α-helix	trans	-67.8	-34.1	172.6	-84.1	-165.8	-149.8	0	0	113.4	K1226 I1227 Q1228 K1234	K1226-E1230 PolarHBondContact O-N 2.97Å; I1227-E1230 PolarHBondContact O-N 3.25Å; Q1228-E1230 VanDerWaalsContact C-N 3.35Å; Q1228-E1230 PolarHBondContact O-N 2.82Å; E1230-K1234 VanDerWaalsContact O-CD 3.28Å; E1230-K1234 WeakPolarHBondContact O-CD 3.49Å; E1230-K1234 VanDerWaalsContact O-CG 3.23Å; E1230-K1234 WeakPolarHBondContact O-CG 3.24Å; E1230-K1234 PolarHBondContact O-N 2.83Å; E1230-K1234 VanDerWaalsContact O-N 3.09Å; E1230-K1234 IonicContact OE2-NZ 2.7Å; E1230-K1234 PolarHBondContact OE2-NZ 3.32Å
1231	L	64.4	Low	62.2	Low	96 Å²	96	116 Å²	116	50%	0.503	59%	0.589	S	S	.	*	H	α-helix	trans	-74.3	-41.3	178.8	-151.5	162.6	0	0	0	110.1	I1227 Q1228 K1234 L1235	I1227-L1231 WeakPolarHBondContact O-CB 3.35Å; I1227-L1231 PolarHBondContact O-N 3.06Å; Q1228-L1231 PolarHBondContact O-N 3.4Å; Q1228-L1231 VanDerWaalsContact O-N 3.08Å; L1231-K1234 WeakPolarHBondContact O-CB 3.25Å; L1231-K1234 PolarHBondContact O-N 2.91Å; L1231-L1235 HydrophobicContact CD2-CD1 3.78Å; L1231-L1235 HydrophobicContact CD2-CG 4.19Å; L1231-L1235 WeakPolarHBondContact O-CG 3.23Å; L1231-L1235 PolarHBondContact O-N 3.19Å
1232	E	63	Low	60.7	Low	83 Å²	83	118.1 Å²	118.1	39%	0.388	60%	0.603	S	S	.	*	H	α-helix	trans	-62.6	-43.8	171.1	-72.9	174.9	-168	0	0	111.7	Q1228 K1234 L1235 F1236	Q1228-E1232 WeakPolarHBondContact CG-OE1 3.43Å; Q1228-E1232 PolarHBondContact NE2-OE1 2.92Å; Q1228-E1232 WeakPolarHBondContact O-CB 3.36Å; Q1228-E1232 WeakPolarHBondContact O-CG 3.48Å; Q1228-E1232 PolarHBondContact O-N 3.34Å; E1232-K1234 VanDerWaalsContact C-N 3.27Å; E1232-K1234 PolarHBondContact O-N 2.63Å; E1232-L1235 WeakPolarHBondContact O-CB 3.28Å; E1232-L1235 PolarHBondContact O-N 3.09Å; E1232-F1236 VanDerWaalsContact O-CD2 3.24Å; E1232-F1236 WeakPolarHBondContact O-CD2 3.39Å; E1232-F1236 PolarHBondContact O-N 3.06Å
1233	K	65.8	Low	58.8	Low	115 Å²	115	116.2 Å²	116.2	50%	0.5	61%	0.611	S	S	.	*	H	α-helix	trans	-59.2	-36.4	172.3	-76.3	165.7	-174.8	167.5	0	112.7	E1229 A1237	E1229-K1233 HydrophobicContact CG-CD 4.42Å; E1229-K1233 WeakPolarHBondContact O-CB 3.48Å; E1229-K1233 WeakPolarHBondContact O-CD 3.2Å; E1229-K1233 WeakPolarHBondContact O-CG 3.37Å; E1229-K1233 PolarHBondContact O-N 3.08Å; E1229-K1233 VanDerWaalsContact OE1-CE 3.25Å; E1229-K1233 WeakPolarHBondContact OE1-CE 3.43Å; E1229-K1233 IonicContact OE1-NZ 2.63Å; E1229-K1233 PolarHBondContact OE1-NZ 2.94Å; E1229-K1233 IonicContact OE2-NZ 3.34Å; E1229-K1233 PolarHBondContact OE2-NZ 3.34Å; K1233-A1237 WeakPolarHBondContact O-CB 3.39Å; K1233-A1237 PolarHBondContact O-N 3.3Å; K1233-A1237 VanDerWaalsContact O-N 3.09Å
1234	K	63.2	Low	56.6	Low	138 Å²	138	118.2 Å²	118.2	60%	0.6	62%	0.622	S	S	*	*	H	α-helix	trans	-70.5	-32.5	174.1	-72.4	159.2	-168	152	0	112.3	E1230 L1231 E1232	E1230-K1234 VanDerWaalsContact O-CD 3.28Å; E1230-K1234 WeakPolarHBondContact O-CD 3.49Å; E1230-K1234 VanDerWaalsContact O-CG 3.23Å; E1230-K1234 WeakPolarHBondContact O-CG 3.24Å; E1230-K1234 PolarHBondContact O-N 2.83Å; E1230-K1234 VanDerWaalsContact O-N 3.09Å; E1230-K1234 IonicContact OE2-NZ 2.7Å; E1230-K1234 PolarHBondContact OE2-NZ 3.32Å; L1231-K1234 WeakPolarHBondContact O-CB 3.25Å; L1231-K1234 PolarHBondContact O-N 2.91Å; E1232-K1234 VanDerWaalsContact C-N 3.27Å; E1232-K1234 PolarHBondContact O-N 2.63Å
1235	L	50.5	Low	54.5	Low	111 Å²	111	123.2 Å²	123.2	58%	0.581	64%	0.64	S	S	*	*	H	α-helix	trans	-72	-45	173.6	-71.4	165.5	0	0	0	112.2	L1231 E1232 A1237 G1238	L1231-L1235 HydrophobicContact CD2-CD1 3.78Å; L1231-L1235 HydrophobicContact CD2-CG 4.19Å; L1231-L1235 WeakPolarHBondContact O-CG 3.23Å; L1231-L1235 PolarHBondContact O-N 3.19Å; E1232-L1235 WeakPolarHBondContact O-CB 3.28Å; E1232-L1235 PolarHBondContact O-N 3.09Å; L1235-A1237 VanDerWaalsContact C-N 3.29Å; L1235-A1237 PolarHBondContact O-N 3.04Å; L1235-G1238 PolarHBondContact O-N 3.4Å
1236	F	50.3	Low	52.4	Low	161 Å²	161	127.6 Å²	127.6	71%	0.706	65%	0.654	S	S	*	*	H	α-helix	trans	-67.3	-27.2	177.3	-79.2	-68.2	0	0	0	113.2	E1232 G1238	E1232-F1236 VanDerWaalsContact O-CD2 3.24Å; E1232-F1236 WeakPolarHBondContact O-CD2 3.39Å; E1232-F1236 PolarHBondContact O-N 3.06Å; F1236-G1238 PolarHBondContact O-N 3.09Å
1237	A	48.1	Very low	50.2	Low	90 Å²	90	125.9 Å²	125.9	74%	0.744	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	-13.9	170.6	0	0	0	0	0	114	K1233 L1235	K1233-A1237 WeakPolarHBondContact O-CB 3.39Å; K1233-A1237 PolarHBondContact O-N 3.3Å; K1233-A1237 VanDerWaalsContact O-N 3.09Å; L1235-A1237 VanDerWaalsContact C-N 3.29Å; L1235-A1237 PolarHBondContact O-N 3.04Å
1238	G	45	Very low	47.7	Very low	63 Å²	63	126.6 Å²	126.6	65%	0.649	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.5	-1.6	-176.7	0	0	0	0	0	116.1	L1235 F1236	L1235-G1238 PolarHBondContact O-N 3.4Å; F1236-G1238 PolarHBondContact O-N 3.09Å
1239	L	39.7	Very low	45.8	Very low	141 Å²	141	126 Å²	126	74%	0.738	69%	0.691	S	S	*	*			trans	-126.2	91.4	-170.6	-79.4	169.8	0	0	0	113
1240	Q	34.9	Very low	43.9	Very low	189 Å²	189	126.7 Å²	126.7	88%	0.883	71%	0.706	S	S	*	*			trans	-99.6	123.8	161.4	-81.4	-160.6	-17.1	0	0	111.6
1241	P	38.9	Very low	41.9	Very low	119 Å²	119	128.3 Å²	128.3	77%	0.773	72%	0.722	S	S	*	*			trans	-79	141	157.8	-11.3	28.9	0	0	0	110.9
1242	L	37	Very low	40.3	Very low	156 Å²	156	130.7 Å²	130.7	82%	0.817	73%	0.733	S	S	*	*			trans	-93.9	114	-175.3	-160.5	88.5	0	0	0	111.8
1243	T	32.4	Very low	38.6	Very low	135 Å²	135	132.2 Å²	132.2	83%	0.828	75%	0.753	S	S	*	*			trans	-141.8	123.4	167.1	51.8	0	0	0	0	112.1
1244	N	35.8	Very low	37	Very low	143 Å²	143	133.3 Å²	133.3	77%	0.765	76%	0.763	S	S	*	*			trans	-84.2	147.5	176.8	-68.2	-65.1	0	0	0	112.2
1245	F	30.2	Very low	35.3	Very low	220 Å²	220	136.3 Å²	136.3	97%	0.965	78%	0.776	S	S	*	*			trans	-159.9	163.3	131.7	-107.3	-71	0	0	0	110.9
1246	K	31.1	Very low	34.5	Very low	204 Å²	204	139 Å²	139	89%	0.887	78%	0.783	S	S	*	*			trans	-115.9	141.6	-168.7	-75.7	-179.9	173.7	178.1	0	113.8
1247	A	29.4	Very low	33.4	Very low	96 Å²	96	137.6 Å²	137.6	79%	0.793	78%	0.783	S	S	*	*			trans	174.5	157.4	140.3	0	0	0	0	0	109.4
1248	S	29	Very low	32.5	Very low	110 Å²	110	141.2 Å²	141.2	77%	0.769	79%	0.786	S	S	*	*			cis	179.3	159.4	-43	48.3	0	0	0	0	107.8
1249	A	28.2	Very low	31.8	Very low	92 Å²	92	143.2 Å²	143.2	76%	0.76	79%	0.79	S	S	*	*			trans	71.5	122.5	-174.3	0	0	0	0	0	113.9
1250	S	31.8	Very low	31.3	Very low	106 Å²	106	140.3 Å²	140.3	74%	0.741	79%	0.787	S	S	*	*			cis	85.3	136.6	46.6	79.4	0	0	0	0	113.1
1251	T	31.2	Very low	31.3	Very low	127 Å²	127	139.4 Å²	139.4	78%	0.779	78%	0.782	S	S	*	*			cis	-155.1	173	22.7	-25.7	0	0	0	0	113.8
1252	M	29.8	Very low	31	Very low	146 Å²	146	138 Å²	138	72%	0.719	78%	0.776	S	S	*	*			trans	-36.8	162.9	169.5	-62.1	-121.1	79.4	0	0	116.7	L1254	M1252-L1254 HydrophobicContact CE-CD1 3.78Å
1253	S	28.9	Very low	30.8	Very low	115 Å²	115	135.3 Å²	135.3	80%	0.804	77%	0.77	S	S	*	*			cis	-165.7	165.5	49.6	62.5	0	0	0	0	118.1
1254	L	30.7	Very low	31	Very low	138 Å²	138	138 Å²	138	72%	0.723	77%	0.773	S	S	*	*			trans	-86.3	151.9	-179.7	-56.2	109.1	0	0	0	113.8	M1252	M1252-L1254 HydrophobicContact CE-CD1 3.78Å
1255	K	28.6	Very low	31.1	Very low	200 Å²	200	144.4 Å²	144.4	87%	0.87	79%	0.794	S	S	*	*			trans	163.8	154.8	139.3	-93.3	158.6	-174.1	176.8	0	110.3
1256	K	33.2	Very low	31.2	Very low	169 Å²	169	140.7 Å²	140.7	74%	0.735	79%	0.785	S	S	*	*			cis	-171.3	142.7	-26.2	-138.1	-165.9	178.6	-173.8	0	107.9
1257	N	27.9	Very low	31.2	Very low	130 Å²	130	137.3 Å²	137.3	70%	0.695	78%	0.78	S	S	*	*			trans	60.9	135.1	158.5	-66.6	16.5	0	0	0	117
1258	M	28.1	Very low	31.3	Very low	166 Å²	166	139.6 Å²	139.6	82%	0.818	78%	0.779	S	S	*	*				56.8	127.4	65.8	-59.1	-73.9	102.5	0	0	113
1259	S	30.2	Very low	31.4	Very low	105 Å²	105	141.4 Å²	141.4	73%	0.734	78%	0.78	S	S	*	*			cis	-174.3	-179.7	-3.9	49.4	0	0	0	0	110.3
1260	A	30.9	Very low	31.6	Very low	81 Å²	81	144.4 Å²	144.4	67%	0.669	78%	0.781	S	S	*	*			trans	113.3	133	145.8	0	0	0	0	0	119.7
1261	H	33.1	Very low	31.6	Very low	170 Å²	170	147 Å²	147	79%	0.787	78%	0.784	S	S	*	*			trans	43.2	119.6	143.8	-63.4	-57.8	0	0	0	120.3
1262	S	33.6	Very low	31.6	Very low	90 Å²	90	148.4 Å²	148.4	63%	0.629	78%	0.784	S	S	*	*				60.8	130.3	64.3	83.8	0	0	0	0	112.9
1263	S	33.8	Very low	31.8	Very low	99 Å²	99	148.6 Å²	148.6	69%	0.692	79%	0.789	S	S	*	*			cis	-159.4	172.6	30.6	-54.1	0	0	0	0	112.7
1264	Q	36.5	Very low	32	Very low	190 Å²	190	151.4 Å²	151.4	89%	0.888	79%	0.788	S	S	*	*			trans	67.9	140.7	164.4	-64.2	169.3	-28.8	0	0	115.6
1265	K	37.8	Very low	32.1	Very low	279 Å²	279	152.6 Å²	152.6	100%	1.213	79%	0.794	S	S	*	*			cis	-107.4	0	18.8	-77.6	173.5	171.1	174.1	0	114.8

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