A0A087YDG1_POEFO Loading...

Protein tyrosine phosphatase receptor type N2

AlphaFold DB , UniProt , Accession A0A087YDG1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,070 aa.

						>A0A087YDG1_POEFO|A0A087YDG1
MDSPRCPVLVAALVVCLCSSPAVSDRKFGCLFEDELCAPYEFCVNDGVFGRCQELAGADLYTHDISSSALQRLRILLQKLAHRGLTWRDDITQQVISRELSKLRNIPLRQQSPPPSQLTAYSSSRNRKLRPTQAELSRNLQQYLMGLGFRPDADTKQQENQPVIQNEDITPEALKKPGQPKPKQTWKETTIYSLQKGAGQPPVTKVVTKSGDGRHPKLSTAYSSHEPDRSKLLSNHLQQLLPGASSTQQGIAGGEPVWPKGKLHYLSYLQPTQSNHADPQIAFGSNTAKPNLDRLLFKAGPNRLPAKDPHSLVDDHLILNAVNQLGRHSLNMEALMGKDLDHLAEVITGALQEVDEERLTYGVEPVPGAGDDPRGEMRVNQEKPAGMLLNQDQDLKSDEGLNPNPKETLTLKQPGQQIDVAEKESTDKHGAIFSKLLDYLNMEPFGGAPGVKSRPPAPLQKMVGLESVHSITKQGQVPAPYRSEEKIVIVPAKEGSTLRLTGGAEAPDGRVDSEIQRWMQADQPPDGAAQPEEAQKKDVKIKTQLVHVGVKEFSSRGKDRHFGYIITNSDSLTNDRASDLMDRLTQRLSLHTADLTQLSVLGPAMTFRVGPNPKNVTTADLVQAAVQEKQQLEKETGLKIVEAGVSDRGSLTQIPVVKETRVESGQFLLLSVLCMLFILVALAMSATFFCVRQRSHLHMKEKLASLGTDTSHDATAAYQELCRQRMAIKTSERVERPETLRHSRLNSVSSQFSDGPVASPSTRSSTSSWCEEPVPSNMDISTGHMILSYMEDHLKNKNRLEREWEALCSYQAEPSACSVGQGEQNSKRNRADAVVVYDHSRITLKSENNHSNSDYINASPIMDHDPRNPTYIAAQGPLASTVADFWQMVWESGCVVIVMLTPLSENGVKQCHHYWPDEGSDIYHIYEVNLVSEHIWCEDFLVRSFYLKNLQTNETRTVTQFHFLSWMDRGIPSSARTLLDFRRKVNKCYRGRSCPIIVHCSDGAGRSGTYILIDMVLNRMAKGAKEIDIAATLEHLRDQRAGMVQTKEQFEFALTAVAEEVNAILKALPQ
					

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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	31.5	Very low	42.4	Very low	224 Å²	224	130.1 Å²	130.1	100%	1.103	73%	0.734	S	S	*	*				0	102.4	0	-71.3	-166.9	176.5	0	0	111.5
2	D	36.7	Very low	42.5	Very low	146 Å²	146	123.8 Å²	123.8	78%	0.781	71%	0.711	S	S	*	*			cis	-172.6	159.3	-45.5	-85.2	-30.6	0	0	0	109
3	S	31.8	Very low	42.4	Very low	116 Å²	116	123.1 Å²	123.1	81%	0.811	70%	0.702	S	S	*	*			trans	72.2	163	164.9	-116.8	0	0	0	0	116.4
4	P	48	Very low	42.4	Very low	104 Å²	104	120.6 Å²	120.6	68%	0.675	69%	0.691	S	S	*	*				-136.1	130.7	-103.1	33.7	-13.7	0	0	0	115.6
5	R	39.9	Very low	42.4	Very low	233 Å²	233	119.3 Å²	119.3	88%	0.879	69%	0.685	S	S	*	*			trans	-137.6	10.5	170.7	-70.3	-168.5	173.9	169.6	-0.6	116.4	P7	R5-P7 VanDerWaalsContact C-CD 3.42Å
6	C	46.4	Very low	42.2	Very low	112 Å²	112	118.3 Å²	118.3	76%	0.757	69%	0.686	S	S	*	*			trans	-80	-14.8	-177.4	-78.8	0	0	0	0	119.8
7	P	46.4	Very low	42	Very low	98 Å²	98	119.9 Å²	119.9	64%	0.636	69%	0.691	S	S	*	*	H	α-helix	trans	-80.3	-23.2	-174.7	30.8	-33.8	0	0	0	114.3	R5	R5-P7 VanDerWaalsContact C-CD 3.42Å
8	V	47.1	Very low	41.8	Very low	110 Å²	110	119.1 Å²	119.1	67%	0.667	69%	0.692	S	S	*	*	H	α-helix	trans	-79.3	-40.4	-169.5	-175.4	0	0	0	0	112.7	A11 A12	V8-A11 PolarHBondContact O-N 3.4Å; V8-A12 PolarHBondContact O-N 2.85Å
9	L	43.5	Very low	41.3	Very low	131 Å²	131	117.7 Å²	117.7	69%	0.686	69%	0.689	S	S	*	*	H	α-helix	trans	-69.6	-34.4	-177.7	-89.7	160.5	0	0	0	113.1	L13	L9-L13 PolarHBondContact O-N 2.72Å
10	V	48.5	Very low	40.9	Very low	98 Å²	98	117.2 Å²	117.2	59%	0.594	69%	0.692	S	S	*	*	H	α-helix	trans	-71.2	-41.1	177.4	-176	0	0	0	0	110.8	A12 L13 V14	V10-A12 VanDerWaalsContact C-N 3.35Å; V10-A12 PolarHBondContact O-N 3.37Å; V10-L13 PolarHBondContact O-N 3.1Å; V10-V14 WeakPolarHBondContact O-CG2 3.32Å; V10-V14 PolarHBondContact O-N 2.56Å
11	A	46.3	Very low	40.4	Very low	59 Å²	59	117.4 Å²	117.4	49%	0.488	70%	0.697	S	S	.	*	H	α-helix	trans	-60.8	-41.6	176.5	0	0	0	0	0	112.5	V8 L13 V14 V15	V8-A11 PolarHBondContact O-N 3.4Å; A11-L13 PolarHBondContact O-N 3.45Å; A11-V14 PolarHBondContact O-N 2.72Å; A11-V15 WeakPolarHBondContact O-CG2 3.24Å; A11-V15 PolarHBondContact O-N 3.06Å
12	A	43.5	Very low	40.4	Very low	55 Å²	55	111 Å²	111	46%	0.455	68%	0.68	S	S	.	*	H	α-helix	trans	-64	-39.1	177.9	0	0	0	0	0	113	V8 V10 C16	V8-A12 PolarHBondContact O-N 2.85Å; V10-A12 VanDerWaalsContact C-N 3.35Å; V10-A12 PolarHBondContact O-N 3.37Å; A12-C16 PolarHBondContact O-N 3.09Å; A12-C16 PolarHBondContact O-SG 2.9Å; A12-C16 VanDerWaalsContact O-SG 3.42Å
13	L	40.8	Very low	40.3	Very low	114 Å²	114	110 Å²	110	60%	0.597	68%	0.679	S	S	*	*	H	α-helix	trans	-70.8	-35.2	179.7	-90.3	161.6	0	0	0	113.5	L9 V10 A11 C16	L9-L13 PolarHBondContact O-N 2.72Å; V10-L13 PolarHBondContact O-N 3.1Å; A11-L13 PolarHBondContact O-N 3.45Å; L13-C16 PolarHBondContact O-N 3.34Å
14	V	43.5	Very low	40.6	Very low	89 Å²	89	108.1 Å²	108.1	54%	0.539	67%	0.666	S	S	.	*	H	α-helix	trans	-69.3	-37.1	177.4	174.5	0	0	0	0	111.6	V10 A11 C16 L17	V10-V14 WeakPolarHBondContact O-CG2 3.32Å; V10-V14 PolarHBondContact O-N 2.56Å; A11-V14 PolarHBondContact O-N 2.72Å; V14-C16 VanDerWaalsContact C-N 3.34Å; V14-C16 PolarHBondContact O-N 3.08Å; V14-L17 PolarHBondContact O-N 3.18Å
15	V	41.8	Very low	40.8	Very low	101 Å²	101	109.7 Å²	109.7	61%	0.612	67%	0.668	S	S	*	*	H	α-helix	trans	-64.4	-38.4	176.5	173.5	0	0	0	0	111.6	A11 L17 S19	A11-V15 WeakPolarHBondContact O-CG2 3.24Å; A11-V15 PolarHBondContact O-N 3.06Å; V15-L17 VanDerWaalsContact C-N 3.26Å; V15-L17 PolarHBondContact O-N 2.8Å; V15-S19 PolarHBondContact O-OG 2.81Å
16	C	38.9	Very low	42.3	Very low	103 Å²	103	103.1 Å²	103.1	70%	0.696	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	-10.3	179.9	-67.3	0	0	0	0	115.2	A12 L13 V14	A12-C16 PolarHBondContact O-N 3.09Å; A12-C16 PolarHBondContact O-SG 2.9Å; A12-C16 VanDerWaalsContact O-SG 3.42Å; L13-C16 PolarHBondContact O-N 3.34Å; V14-C16 VanDerWaalsContact C-N 3.34Å; V14-C16 PolarHBondContact O-N 3.08Å
17	L	38.8	Very low	43.9	Very low	146 Å²	146	100.7 Å²	100.7	76%	0.764	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.4	-4.9	-176.8	-75.6	168.7	0	0	0	114.6	V14 V15	V14-L17 PolarHBondContact O-N 3.18Å; V15-L17 VanDerWaalsContact C-N 3.26Å; V15-L17 PolarHBondContact O-N 2.8Å
18	C	38.9	Very low	45.8	Very low	105 Å²	105	96.8 Å²	96.8	71%	0.709	59%	0.593	S	S	*	*	S	Bend	trans	-111.8	3.7	177.8	-67.1	0	0	0	0	113.9	S20	C18-S20 PolarHBondContact O-N 3.47Å
19	S	32	Very low	47.6	Very low	92 Å²	92	91.6 Å²	91.6	64%	0.643	56%	0.561	S	S	*	*			trans	-96.6	74	178.6	-61.5	0	0	0	0	112	V15	V15-S19 PolarHBondContact O-OG 2.81Å
20	S	33.3	Very low	49.6	Very low	107 Å²	107	86.1 Å²	86.1	75%	0.748	53%	0.534	S	S	*	.			trans	-55.8	129.9	163.3	-62.2	0	0	0	0	109.5	C18 A22	C18-S20 PolarHBondContact O-N 3.47Å; S20-A22 PolarHBondContact O-N 3Å
21	P	31.3	Very low	51.3	Low	123 Å²	123	84.8 Å²	84.8	80%	0.799	52%	0.523	S	S	*	.			trans	-75.9	67.2	171.4	32.9	-34.9	0	0	0	109.7	V23	P21-V23 PolarHBondContact O-N 3.12Å
22	A	30.3	Very low	53	Low	90 Å²	90	84.9 Å²	84.9	74%	0.744	51%	0.513	S	S	*	.			trans	-67.5	82.1	159.9	0	0	0	0	0	107.3	S20 S24	S20-A22 PolarHBondContact O-N 3Å; A22-S24 PolarHBondContact O-N 3.38Å
23	V	34.9	Very low	54.7	Low	124 Å²	124	84.4 Å²	84.4	75%	0.752	50%	0.501	S	S	*	.			trans	-63.1	104.8	167.7	177.8	0	0	0	0	106	P21 D25	P21-V23 PolarHBondContact O-N 3.12Å; V23-D25 PolarHBondContact O-N 3.28Å; V23-D25 VanDerWaalsContact O-N 3.16Å
24	S	38.9	Very low	56.2	Low	77 Å²	77	85.6 Å²	85.6	54%	0.538	51%	0.508	S	S	.	.			trans	-62.8	116	169.5	43.5	0	0	0	0	108.2	A22 R26	A22-S24 PolarHBondContact O-N 3.38Å; S24-R26 VanDerWaalsContact C-N 3.32Å; S24-R26 PolarHBondContact O-N 3.1Å
25	D	52.7	Low	57.5	Low	136 Å²	136	88.8 Å²	88.8	73%	0.727	52%	0.517	S	S	*	.			trans	-67.5	94.4	173.7	-112	-33.6	0	0	0	107.9	V23 K27	V23-D25 PolarHBondContact O-N 3.28Å; V23-D25 VanDerWaalsContact O-N 3.16Å; D25-K27 PolarHBondContact O-N 3Å
26	R	70.3	Confident	59.4	Low	95 Å²	95	84.6 Å²	84.6	36%	0.358	49%	0.491	S	S	.	.			trans	-63.7	108.3	-174	-64.9	-172.1	-171.4	178.8	2	109.5	S24 F28 R51	S24-R26 VanDerWaalsContact C-N 3.32Å; S24-R26 PolarHBondContact O-N 3.1Å; R26-F28 VanDerWaalsContact O-CD2 3.24Å; R26-F28 WeakPolarHBondContact O-CD2 3.32Å; R26-F28 VanDerWaalsContact O-CE2 3.24Å; R26-F28 WeakPolarHBondContact O-CE2 3.45Å; R26-R51 HydrophobicContact CB-CG 4.08Å
27	K	81.1	Confident	61.6	Low	62 Å²	62	81.1 Å²	81.1	27%	0.27	47%	0.468	S	S	.	.			trans	-64.6	142.3	-175.3	-62.3	-159.7	172.1	-153.3	0	111.9	D25 L36 R51 C52 R88 D90 Q93	D25-K27 PolarHBondContact O-N 3Å; K27-L36 HydrophobicContact CB-CD2 4.12Å; K27-L36 HydrophobicContact CB-CG 4.27Å; K27-R51 WeakPolarHBondContact O-CA 3.33Å; K27-C52 PolarHBondContact O-N 3.17Å; K27-R88 PolarHBondContact NZ-O 2.81Å; K27-D90 IonicContact NZ-OD1 3.5Å; K27-D90 PolarHBondContact NZ-OD1 2.99Å; K27-Q93 HydrophobicContact CD-CG 4.35Å; K27-Q93 HydrophobicContact CG-CG 4.35Å
28	F	85.6	Confident	63.6	Low	16 Å²	16	75.4 Å²	75.4	7%	0.07	44%	0.442	C	S	.	.	B	Isolated β-bridge	trans	-110.7	145.7	179.1	-61.2	-95.3	0	0	0	110	R26 L36 G50 R51 W87 Q93 I96 L100	R26-F28 VanDerWaalsContact O-CD2 3.24Å; R26-F28 WeakPolarHBondContact O-CD2 3.32Å; R26-F28 VanDerWaalsContact O-CE2 3.24Å; R26-F28 WeakPolarHBondContact O-CE2 3.45Å; F28-L36 WeakPolarHBondContact O-CD2 3.49Å; F28-G50 CarbonylContact C-O 3.55Å; F28-G50 VanDerWaalsContact CA-O 3.31Å; F28-G50 WeakPolarHBondContact CA-O 3.49Å; F28-R51 HydrophobicContact CD1-CB 4.27Å; F28-R51 HydrophobicContact CD1-CG 3.98Å; F28-R51 HydrophobicContact CE1-CG 3.97Å; F28-R51 VanDerWaalsContact CE1-CZ 3.45Å; F28-R51 VanDerWaalsContact CE1-NE 3.3Å; F28-R51 HydrophobicContact CZ-CG 4.43Å; F28-W87 VanDerWaalsContact O-CE3 3.3Å; F28-Q93 PolarHBondContact O-NE2 3.33Å; F28-Q93 PolarHBondContact O-OE1 2.87Å; F28-I96 HydrophobicContact CB-CG2 4.14Å; F28-L100 HydrophobicContact CB-CD1 4.48Å; F28-L100 HydrophobicContact CD1-CD1 3.25Å; F28-L100 HydrophobicContact CE1-CD1 3.41Å; F28-L100 VanDerWaalsContact CE1-CD1 3.41Å; F28-L100 HydrophobicContact CG-CD1 3.93Å; F28-L100 HydrophobicContact CZ-CD1 4.23Å
29	G	85.4	Confident	65.3	Low	0 Å²	0	77.1 Å²	77.1	0%	0	45%	0.451	C	S	.	.			trans	109.7	3.7	-179	0	0	0	0	0	114.9	L31 F32 E33 F49 G50	G29-L31 PolarHBondContact O-N 3.12Å; G29-F32 WeakPolarHBondContact O-CA 3.49Å; G29-F32 PolarHBondContact O-N 2.7Å; G29-E33 PolarHBondContact O-N 2.85Å; G29-E33 VanDerWaalsContact O-N 3.1Å; G29-F49 CarbonylContact C-O 3.56Å; G29-F49 VanDerWaalsContact C-O 3.26Å; G29-F49 WeakPolarHBondContact CA-O 3.3Å; G29-F49 PolarHBondContact N-O 3.45Å; G29-G50 PolarHBondContact N-O 3.48Å
30	C	85.2	Confident	67.3	Low	16 Å²	16	79.4 Å²	79.4	11%	0.108	45%	0.447	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-3.2	-177.5	63.9	0	0	0	0	115.3	L36 C37 C43 F49 R51	C30-L36 HydrophobicContact CB-CB 4.39Å; C30-C37 WeakPolarHBondContact CB-SG 3.35Å; C30-C43 HydrophobicContact CB-CB 3.72Å; C30-C43 WeakPolarHBondContact CB-SG 3.47Å; C30-C43 PolarHBondContact O-SG 2.56Å; C30-C43 WeakPolarHBondContact SG-CA 3.31Å; C30-C43 WeakPolarHBondContact SG-CB 2.64Å; C30-C43 CovalentContact SG-SG 2.04Å; C30-C43 PolarHBondContact SG-SG 3.29Å; C30-F49 PolarHBondContact N-O 3.04Å; C30-R51 VanDerWaalsContact SG-C 3.52Å; C30-R51 PolarHBondContact SG-N 2.9Å
31	L	83.4	Confident	69.6	Low	71 Å²	71	76 Å²	76	37%	0.372	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-6.9	166.1	-68.1	172.9	0	0	0	113.2	G29 N45 F49	G29-L31 PolarHBondContact O-N 3.12Å; L31-N45 HydrophobicContact CD1-CB 4.17Å; L31-F49 WeakPolarHBondContact CB-O 3.41Å; L31-F49 PolarHBondContact N-O 3.36Å
32	F	82	Confident	72	Confident	61 Å²	61	75.6 Å²	75.6	27%	0.268	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.5	-25.6	-172.5	-68.6	-71	0	0	0	113.9	G29 F49 L140 L144	G29-F32 WeakPolarHBondContact O-CA 3.49Å; G29-F32 PolarHBondContact O-N 2.7Å; F32-F49 HydrophobicContact CD2-CD1 4.29Å; F32-F49 AromaticContact CE2-CD1 3.98Å; F32-F49 HydrophobicContact CE2-CD1 3.98Å; F32-L140 HydrophobicContact CE1-CD2 3.66Å; F32-L140 HydrophobicContact CZ-CD2 3.68Å; F32-L144 HydrophobicContact CD1-CD1 4Å; F32-L144 HydrophobicContact CE1-CD1 4.27Å
33	E	80.2	Confident	74.5	Confident	44 Å²	44	73.9 Å²	73.9	21%	0.206	39%	0.387	C	S	.	.	S	Bend	trans	-134.1	125.7	175.7	-159.8	176.7	151.8	0	0	110.8	G29 W87 R88	G29-E33 PolarHBondContact O-N 2.85Å; G29-E33 VanDerWaalsContact O-N 3.1Å; E33-W87 HydrophobicContact CB-CB 4.3Å; E33-W87 HydrophobicContact CB-CG 4.45Å; E33-W87 WeakPolarHBondContact OE2-CB 3.37Å; E33-W87 PolarHBondContact OE2-N 3.16Å; E33-W87 VanDerWaalsContact OE2-N 3.17Å; E33-R88 WeakPolarHBondContact OE1-CD 3.41Å; E33-R88 VanDerWaalsContact OE1-CG 3.26Å; E33-R88 WeakPolarHBondContact OE1-CG 3.42Å; E33-R88 IonicContact OE1-CZ 3.71Å; E33-R88 IonicContact OE1-NE 3.62Å; E33-R88 PolarHBondContact OE1-NE 3.3Å
34	D	71	Confident	76.8	Confident	139 Å²	139	69.9 Å²	69.9	74%	0.743	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	159.9	178.7	-70.1	-55.5	0	0	0	111.8	L36 R88	D34-L36 PolarHBondContact O-N 3.45Å; D34-R88 PolarHBondContact O-NH2 3.08Å
35	E	72.6	Confident	78.8	Confident	156 Å²	156	70.4 Å²	70.4	73%	0.729	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.8	7.7	-174.1	-42.2	176.4	130.9	0	0	115.9	C37 R88	E35-C37 PolarHBondContact O-N 2.13Å; E35-R88 IonicContact OE2-CZ 3.83Å; E35-R88 IonicContact OE2-NH1 2.7Å; E35-R88 PolarHBondContact OE2-NH1 2.86Å; E35-R88 VanDerWaalsContact OE2-NH1 3.14Å; E35-R88 IonicContact OE2-NH2 3.26Å; E35-R88 PolarHBondContact OE2-NH2 3.26Å
36	L	80.9	Confident	80	Confident	14 Å²	14	64.1 Å²	64.1	7%	0.073	33%	0.326	C	S	.	.			trans	-68.1	-22	-179	-152.5	82.3	0	0	0	113.9	K27 F28 C30 D34 W87 R88	K27-L36 HydrophobicContact CB-CD2 4.12Å; K27-L36 HydrophobicContact CB-CG 4.27Å; F28-L36 WeakPolarHBondContact O-CD2 3.49Å; C30-L36 HydrophobicContact CB-CB 4.39Å; D34-L36 PolarHBondContact O-N 3.45Å; L36-W87 HydrophobicContact CD1-CB 3.8Å; L36-W87 HydrophobicContact CD2-CB 4.14Å; L36-R88 HydrophobicContact CD1-CG 3.89Å
37	C	84.4	Confident	80.2	Confident	29 Å²	29	61.8 Å²	61.8	20%	0.196	33%	0.331	C	S	.	.	S	Bend	trans	-97.9	147.4	177.7	-56	0	0	0	0	111.1	C30 E35 E41 C52	C30-C37 WeakPolarHBondContact CB-SG 3.35Å; E35-C37 PolarHBondContact O-N 2.13Å; C37-E41 HydrophobicContact CB-CB 3.97Å; C37-C52 WeakPolarHBondContact CA-SG 3.41Å; C37-C52 HydrophobicContact CB-CB 3.62Å; C37-C52 WeakPolarHBondContact CB-SG 3.31Å; C37-C52 WeakPolarHBondContact SG-CA 3.43Å; C37-C52 WeakPolarHBondContact SG-CB 3.25Å; C37-C52 CovalentContact SG-SG 2.04Å; C37-C52 PolarHBondContact SG-SG 3.21Å
38	A	80.8	Confident	80.3	Confident	27 Å²	27	60 Å²	60	22%	0.223	33%	0.325	C	S	.	.			trans	-64.3	156.7	174.3	0	0	0	0	0	111.4	Y40 E41	A38-Y40 HydrophobicContact CB-CD1 4.05Å; A38-Y40 HydrophobicContact CB-CD2 4.3Å; A38-Y40 HydrophobicContact CB-CE1 3.57Å; A38-Y40 HydrophobicContact CB-CE2 3.85Å; A38-Y40 HydrophobicContact CB-CG 4.4Å; A38-Y40 VanDerWaalsContact CB-CZ 3.45Å; A38-Y40 PolarHBondContact O-N 2.96Å; A38-E41 HydrophobicContact CB-CG 4.17Å; A38-E41 PolarHBondContact N-OE2 3.21Å; A38-E41 PolarHBondContact O-N 2.71Å
39	P	74.1	Confident	80.4	Confident	140 Å²	140	60.2 Å²	60.2	91%	0.909	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-7	-176.1	-26.3	35.9	0	0	0	116.7
40	Y	74.7	Confident	80.3	Confident	141 Å²	141	60.2 Å²	60.2	55%	0.553	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.2	-7.2	175.9	48.9	-94.2	0	0	0	113.2	A38 E54	A38-Y40 HydrophobicContact CB-CD1 4.05Å; A38-Y40 HydrophobicContact CB-CD2 4.3Å; A38-Y40 HydrophobicContact CB-CE1 3.57Å; A38-Y40 HydrophobicContact CB-CE2 3.85Å; A38-Y40 HydrophobicContact CB-CG 4.4Å; A38-Y40 VanDerWaalsContact CB-CZ 3.45Å; A38-Y40 PolarHBondContact O-N 2.96Å; Y40-E54 HydrophobicContact CD2-CG 4.24Å; Y40-E54 WeakPolarHBondContact CD2-OE1 3.46Å
41	E	81.6	Confident	80.3	Confident	34 Å²	34	60.6 Å²	60.6	16%	0.159	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	149.6	177	-67.7	-175.9	120.7	0	0	111.8	C37 A38 C52 E54	C37-E41 HydrophobicContact CB-CB 3.97Å; A38-E41 HydrophobicContact CB-CG 4.17Å; A38-E41 PolarHBondContact N-OE2 3.21Å; A38-E41 PolarHBondContact O-N 2.71Å; E41-C52 HydrophobicContact CB-CB 4.25Å; E41-C52 WeakPolarHBondContact OE2-CB 3.29Å; E41-E54 HydrophobicContact CG-CB 4.47Å
42	F	81.5	Confident	80.5	Confident	115 Å²	115	57.2 Å²	57.2	50%	0.504	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	141	177.3	-59.5	-96.4	0	0	0	109.5	V44 Q53 L55	F42-V44 PolarHBondContact O-N 3.34Å; F42-Q53 PolarHBondContact N-O 2.92Å; F42-Q53 PolarHBondContact O-N 3.4Å; F42-L55 HydrophobicContact CB-CD1 4.23Å; F42-L55 HydrophobicContact CD2-CB 4.28Å; F42-L55 HydrophobicContact CD2-CD1 3.47Å; F42-L55 VanDerWaalsContact CD2-CD1 3.47Å; F42-L55 HydrophobicContact CD2-CG 4.42Å; F42-L55 HydrophobicContact CE2-CB 4.14Å; F42-L55 HydrophobicContact CE2-CD1 3.95Å; F42-L55 HydrophobicContact CG-CD1 3.85Å
43	C	84	Confident	80.5	Confident	54 Å²	54	55.2 Å²	55.2	37%	0.365	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	109.6	174.5	-173.4	0	0	0	0	110.5	C30	C30-C43 HydrophobicContact CB-CB 3.72Å; C30-C43 WeakPolarHBondContact CB-SG 3.47Å; C30-C43 PolarHBondContact O-SG 2.56Å; C30-C43 WeakPolarHBondContact SG-CA 3.31Å; C30-C43 WeakPolarHBondContact SG-CB 2.64Å; C30-C43 CovalentContact SG-SG 2.04Å; C30-C43 PolarHBondContact SG-SG 3.29Å
44	V	82.3	Confident	80.2	Confident	40 Å²	40	58.7 Å²	58.7	24%	0.242	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	127	174.6	177.9	0	0	0	0	109	F42 D46 G50 R51 Q53 L60	F42-V44 PolarHBondContact O-N 3.34Å; V44-D46 PolarHBondContact O-N 2.77Å; V44-G50 CarbonylContact O-C 3.5Å; V44-G50 VanDerWaalsContact O-CA 3.28Å; V44-G50 WeakPolarHBondContact O-CA 3.42Å; V44-R51 PolarHBondContact N-O 3.41Å; V44-R51 PolarHBondContact O-N 2.99Å; V44-Q53 HydrophobicContact CG2-CB 3.91Å; V44-L60 HydrophobicContact CG1-CD2 3.82Å
45	N	80.9	Confident	79.9	Confident	89 Å²	89	58.1 Å²	58.1	48%	0.476	31%	0.312	S	S	.	.			trans	-75.2	108.7	174.8	-172.6	-21.3	0	0	0	110.3	L31 G47	L31-N45 HydrophobicContact CD1-CB 4.17Å; N45-G47 VanDerWaalsContact C-N 3.35Å; N45-G47 PolarHBondContact OD1-N 3.13Å
46	D	78.8	Confident	78.6	Confident	4 Å²	4	55 Å²	55	2%	0.021	31%	0.313	C	S	.	.			trans	-91.6	6.6	179.8	67.7	-8.4	0	0	0	114	V44 V48 F49 G50 R51 T62 H63	V44-D46 PolarHBondContact O-N 2.77Å; D46-V48 PolarHBondContact OD1-N 2.79Å; D46-F49 PolarHBondContact OD1-N 3.49Å; D46-F49 VanDerWaalsContact OD1-N 3.09Å; D46-G50 PolarHBondContact OD1-N 3.32Å; D46-R51 IonicContact OD2-NE 3.53Å; D46-R51 IonicContact OD2-NH2 2.82Å; D46-T62 VanDerWaalsContact O-CA 3.32Å; D46-T62 WeakPolarHBondContact O-CA 3.48Å; D46-H63 PolarHBondContact O-N 2.97Å; D46-H63 IonicContact OD2-CD2 3.18Å
47	G	74	Confident	77.2	Confident	45 Å²	45	58.4 Å²	58.4	46%	0.464	35%	0.351	S	S	.	.	S	Bend	trans	86.1	-2.5	-176	0	0	0	0	0	114.8	N45	N45-G47 VanDerWaalsContact C-N 3.35Å; N45-G47 PolarHBondContact OD1-N 3.13Å
48	V	82.7	Confident	75.7	Confident	24 Å²	24	59 Å²	59	15%	0.145	36%	0.358	C	S	.	.	S	Bend	trans	-125.9	-70.9	-176.6	-154.9	0	0	0	0	112.7	D46 H63 I65 L73 L100	D46-V48 PolarHBondContact OD1-N 2.79Å; V48-H63 HydrophobicContact CG2-CB 3.63Å; V48-I65 HydrophobicContact CB-CD1 4.34Å; V48-I65 HydrophobicContact CG1-CD1 4.01Å; V48-I65 HydrophobicContact CG2-CD1 3.8Å; V48-I65 HydrophobicContact CG2-CG1 4.26Å; V48-L73 HydrophobicContact CG1-CD1 4.33Å; V48-L100 HydrophobicContact CB-CD2 4.28Å; V48-L100 HydrophobicContact CG1-CD2 4.14Å; V48-L100 HydrophobicContact CG2-CD2 4.13Å
49	F	87	Confident	74.4	Confident	21 Å²	21	64.2 Å²	64.2	9%	0.092	38%	0.382	C	S	.	.	S	Bend	trans	-129.5	-10.4	-171	-58.9	-54.3	0	0	0	112.8	G29 C30 L31 F32 D46 L73 L77 W87 I96 L100	G29-F49 CarbonylContact C-O 3.56Å; G29-F49 VanDerWaalsContact C-O 3.26Å; G29-F49 WeakPolarHBondContact CA-O 3.3Å; G29-F49 PolarHBondContact N-O 3.45Å; C30-F49 PolarHBondContact N-O 3.04Å; L31-F49 WeakPolarHBondContact CB-O 3.41Å; L31-F49 PolarHBondContact N-O 3.36Å; F32-F49 HydrophobicContact CD2-CD1 4.29Å; F32-F49 AromaticContact CE2-CD1 3.98Å; F32-F49 HydrophobicContact CE2-CD1 3.98Å; D46-F49 PolarHBondContact OD1-N 3.49Å; D46-F49 VanDerWaalsContact OD1-N 3.09Å; F49-L73 HydrophobicContact CE2-CD1 4.15Å; F49-L73 HydrophobicContact CE2-CD2 4.23Å; F49-L73 HydrophobicContact CZ-CB 4.35Å; F49-L73 HydrophobicContact CZ-CD1 4.26Å; F49-L77 HydrophobicContact CE1-CD1 3.66Å; F49-L77 HydrophobicContact CZ-CD1 3.63Å; F49-W87 HydrophobicContact CB-CH2 4.14Å; F49-W87 HydrophobicContact CB-CZ3 4.34Å; F49-W87 AromaticContact CD1-CH2 3.61Å; F49-W87 HydrophobicContact CD1-CH2 3.61Å; F49-W87 HydrophobicContact CD1-CZ2 4.21Å; F49-W87 HydrophobicContact CD2-CH2 4.12Å; F49-W87 HydrophobicContact CD2-CZ3 4.42Å; F49-W87 HydrophobicContact CE1-CH2 4.01Å; F49-W87 HydrophobicContact CE2-CH2 4.46Å; F49-W87 AromaticContact CG-CH2 3.7Å; F49-W87 HydrophobicContact CG-CH2 3.7Å; F49-W87 HydrophobicContact CG-CZ3 4.2Å; F49-W87 HydrophobicContact CZ-CH2 4.42Å; F49-I96 HydrophobicContact CD2-CG2 3.85Å; F49-I96 HydrophobicContact CE2-CD1 4.37Å; F49-I96 HydrophobicContact CE2-CG2 4.08Å; F49-L100 HydrophobicContact CD2-CD1 4.23Å; F49-L100 HydrophobicContact CD2-CD2 4.27Å; F49-L100 HydrophobicContact CE2-CD2 4.26Å
50	G	84	Confident	73.9	Confident	0 Å²	0	62 Å²	62	0%	0	36%	0.362	C	S	.	.			trans	77.6	148.9	-170.2	0	0	0	0	0	111.7	F28 G29 V44 D46	F28-G50 CarbonylContact C-O 3.55Å; F28-G50 VanDerWaalsContact CA-O 3.31Å; F28-G50 WeakPolarHBondContact CA-O 3.49Å; G29-G50 PolarHBondContact N-O 3.48Å; V44-G50 CarbonylContact O-C 3.5Å; V44-G50 VanDerWaalsContact O-CA 3.28Å; V44-G50 WeakPolarHBondContact O-CA 3.42Å; D46-G50 PolarHBondContact OD1-N 3.32Å
51	R	86.3	Confident	73.6	Confident	25 Å²	25	58.1 Å²	58.1	9%	0.094	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	137.2	-179	-164.6	-171.3	-44.8	-159	2.9	111	R26 K27 F28 C30 V44 D46 Y61	R26-R51 HydrophobicContact CB-CG 4.08Å; K27-R51 WeakPolarHBondContact O-CA 3.33Å; F28-R51 HydrophobicContact CD1-CB 4.27Å; F28-R51 HydrophobicContact CD1-CG 3.98Å; F28-R51 HydrophobicContact CE1-CG 3.97Å; F28-R51 VanDerWaalsContact CE1-CZ 3.45Å; F28-R51 VanDerWaalsContact CE1-NE 3.3Å; F28-R51 HydrophobicContact CZ-CG 4.43Å; C30-R51 VanDerWaalsContact SG-C 3.52Å; C30-R51 PolarHBondContact SG-N 2.9Å; V44-R51 PolarHBondContact N-O 3.41Å; V44-R51 PolarHBondContact O-N 2.99Å; D46-R51 IonicContact OD2-NE 3.53Å; D46-R51 IonicContact OD2-NH2 2.82Å; R51-Y61 PolarHBondContact NH1-OH 3.28Å
52	C	87.1	Confident	73.3	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	131.4	172.7	-55.8	0	0	0	0	110.3	K27 C37 E41	K27-C52 PolarHBondContact O-N 3.17Å; C37-C52 WeakPolarHBondContact CA-SG 3.41Å; C37-C52 HydrophobicContact CB-CB 3.62Å; C37-C52 WeakPolarHBondContact CB-SG 3.31Å; C37-C52 WeakPolarHBondContact SG-CA 3.43Å; C37-C52 WeakPolarHBondContact SG-CB 3.25Å; C37-C52 CovalentContact SG-SG 2.04Å; C37-C52 PolarHBondContact SG-SG 3.21Å; E41-C52 HydrophobicContact CB-CB 4.25Å; E41-C52 WeakPolarHBondContact OE2-CB 3.29Å
53	Q	81	Confident	73.2	Confident	18 Å²	18	53.6 Å²	53.6	8%	0.084	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	128.1	-179.1	-172.7	166.3	-20.8	0	0	112.1	F42 V44 A58	F42-Q53 PolarHBondContact N-O 2.92Å; F42-Q53 PolarHBondContact O-N 3.4Å; V44-Q53 HydrophobicContact CG2-CB 3.91Å; Q53-A58 PolarHBondContact NE2-O 2.92Å
54	E	75.6	Confident	72.7	Confident	118 Å²	118	54.8 Å²	54.8	55%	0.551	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.7	139.8	173.6	-160.3	169.1	-155.2	0	0	111.3	Y40 E41	Y40-E54 HydrophobicContact CD2-CG 4.24Å; Y40-E54 WeakPolarHBondContact CD2-OE1 3.46Å; E41-E54 HydrophobicContact CG-CB 4.47Å
55	L	63.3	Low	72.5	Confident	126 Å²	126	55.4 Å²	55.4	66%	0.66	33%	0.334	S	S	*	.	S	Bend	trans	-77.9	138.1	177.8	-114	79.7	0	0	0	110.2	F42	F42-L55 HydrophobicContact CB-CD1 4.23Å; F42-L55 HydrophobicContact CD2-CB 4.28Å; F42-L55 HydrophobicContact CD2-CD1 3.47Å; F42-L55 VanDerWaalsContact CD2-CD1 3.47Å; F42-L55 HydrophobicContact CD2-CG 4.42Å; F42-L55 HydrophobicContact CE2-CB 4.14Å; F42-L55 HydrophobicContact CE2-CD1 3.95Å; F42-L55 HydrophobicContact CG-CD1 3.85Å
56	A	46.1	Very low	72.3	Confident	92 Å²	92	53.9 Å²	53.9	76%	0.76	33%	0.331	S	S	*	.	S	Bend	cis	-150.5	151	-0.4	0	0	0	0	0	110.5
57	G	51.9	Low	72	Confident	84 Å²	84	57 Å²	57	87%	0.866	35%	0.352	S	S	*	.			trans	127.4	-1.8	168.3	0	0	0	0	0	117.3
58	A	51.2	Low	71.9	Confident	43 Å²	43	58.2 Å²	58.2	36%	0.355	35%	0.354	S	S	.	.	S	Bend	trans	-94.1	147.6	174.8	0	0	0	0	0	112.4	Q53 L60	Q53-A58 PolarHBondContact NE2-O 2.92Å; A58-L60 PolarHBondContact O-N 3.3Å
59	D	54.1	Low	71.6	Confident	135 Å²	135	57.8 Å²	57.8	72%	0.722	35%	0.353	S	S	*	.			trans	-46.7	114.5	-164.9	-63.7	-64.8	0	0	0	115.1	Y61	D59-Y61 HydrophobicContact CB-CD1 4.06Å; D59-Y61 HydrophobicContact CB-CE1 4.49Å; D59-Y61 WeakPolarHBondContact O-CD1 3.22Å; D59-Y61 PolarHBondContact O-N 2.94Å
60	L	63.9	Low	71.3	Confident	93 Å²	93	61.5 Å²	61.5	49%	0.487	37%	0.373	S	S	.	.			trans	-78.8	110.3	167.4	-69.5	175.5	0	0	0	109	V44 A58 L108	V44-L60 HydrophobicContact CG1-CD2 3.82Å; A58-L60 PolarHBondContact O-N 3.3Å; L60-L108 HydrophobicContact CB-CB 4.14Å; L60-L108 HydrophobicContact CB-CD1 4.08Å; L60-L108 PolarHBondContact O-N 3.03Å
61	Y	68.4	Low	70.7	Confident	60 Å²	60	66 Å²	66	24%	0.235	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	147.7	172.7	59.8	-95.8	0	0	0	111.8	R51 D59 H63 N105 I106	R51-Y61 PolarHBondContact NH1-OH 3.28Å; D59-Y61 HydrophobicContact CB-CD1 4.06Å; D59-Y61 HydrophobicContact CB-CE1 4.49Å; D59-Y61 WeakPolarHBondContact O-CD1 3.22Å; D59-Y61 PolarHBondContact O-N 2.94Å; Y61-H63 AromaticContact CE2-NE2 3.78Å; Y61-N105 HydrophobicContact CD2-CB 3.58Å; Y61-N105 HydrophobicContact CE2-CB 4.05Å; Y61-N105 VanDerWaalsContact CE2-ND2 3.3Å; Y61-N105 WeakPolarHBondContact CE2-ND2 3.45Å; Y61-N105 VanDerWaalsContact CE2-OD1 3.29Å; Y61-N105 WeakPolarHBondContact CE2-OD1 3.37Å; Y61-N105 HydrophobicContact CG-CB 3.89Å; Y61-I106 CarbonylContact C-O 3.6Å; Y61-I106 WeakPolarHBondContact CA-O 3.4Å; Y61-I106 VanDerWaalsContact CB-O 3.3Å; Y61-I106 WeakPolarHBondContact CB-O 3.29Å
62	T	75.7	Confident	70.4	Confident	37 Å²	37	73.1 Å²	73.1	23%	0.227	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	148.8	168.5	53.6	0	0	0	0	110.1	D46 I106 L108	D46-T62 VanDerWaalsContact O-CA 3.32Å; D46-T62 WeakPolarHBondContact O-CA 3.48Å; T62-I106 PolarHBondContact N-O 3.16Å; T62-I106 PolarHBondContact O-N 3.24Å; T62-L108 HydrophobicContact CG2-CD1 4Å; T62-L108 HydrophobicContact CG2-CD2 4.14Å; T62-L108 HydrophobicContact CG2-CG 4.16Å
63	H	78.1	Confident	70.2	Confident	18 Å²	18	73.6 Å²	73.6	8%	0.083	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	133	172.9	-69.4	-74.9	0	0	0	111.9	D46 V48 Y61 I65 L100 L103 N105	D46-H63 PolarHBondContact O-N 2.97Å; D46-H63 IonicContact OD2-CD2 3.18Å; V48-H63 HydrophobicContact CG2-CB 3.63Å; Y61-H63 AromaticContact CE2-NE2 3.78Å; H63-I65 HydrophobicContact CB-CG1 4.38Å; H63-L100 PolarHBondContact NE2-O 3.5Å; H63-L103 HydrophobicContact CB-CB 4.31Å; H63-L103 HydrophobicContact CB-CD1 3.91Å; H63-L103 WeakPolarHBondContact CE1-CB 3.33Å; H63-N105 PolarHBondContact CE1-OD1 3.48Å; H63-N105 PolarHBondContact ND1-OD1 3.42Å; H63-N105 PolarHBondContact NE2-OD1 3.13Å
64	D	73.5	Confident	70.3	Confident	79 Å²	79	77 Å²	77	42%	0.422	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	109.9	166.1	-163.7	9	0	0	0	108.2	R104 I106	D64-R104 HydrophobicContact CB-CB 4.12Å; D64-R104 WeakPolarHBondContact CB-O 3.04Å; D64-R104 PolarHBondContact N-O 2.95Å; D64-I106 HydrophobicContact CB-CD1 3.75Å; D64-I106 HydrophobicContact CB-CG1 4.08Å
65	I	79.3	Confident	70.5	Confident	52 Å²	52	74.9 Å²	74.9	27%	0.267	43%	0.428	S	S	.	.			trans	-108.1	117.4	-172	-31.6	172.1	0	0	0	110	V48 H63 A69 L70	V48-I65 HydrophobicContact CB-CD1 4.34Å; V48-I65 HydrophobicContact CG1-CD1 4.01Å; V48-I65 HydrophobicContact CG2-CD1 3.8Å; V48-I65 HydrophobicContact CG2-CG1 4.26Å; H63-I65 HydrophobicContact CB-CG1 4.38Å; I65-A69 HydrophobicContact CG2-CB 4.06Å; I65-L70 HydrophobicContact CG2-CB 4.07Å
66	S	76.8	Confident	71.5	Confident	58 Å²	58	71.3 Å²	71.3	41%	0.406	41%	0.409	S	S	.	.			trans	-72.6	154.3	166.8	67.5	0	0	0	0	111.2	S68 A69 L70	S66-S68 PolarHBondContact O-N 3.2Å; S66-S68 PolarHBondContact OG-OG 2.79Å; S66-A69 PolarHBondContact O-N 2.79Å; S66-A69 WeakPolarHBondContact OG-CB 3.27Å; S66-A69 PolarHBondContact OG-N 3.34Å; S66-L70 PolarHBondContact O-N 3.19Å
67	S	71.4	Confident	73.2	Confident	68 Å²	68	69 Å²	69	48%	0.476	38%	0.384	S	S	.	.	H	α-helix	trans	-52	-40.6	170.3	51.2	0	0	0	0	112.2	L70 Q71	S67-L70 PolarHBondContact O-N 2.82Å; S67-Q71 PolarHBondContact O-N 3.46Å
68	S	72.1	Confident	74.5	Confident	71 Å²	71	69.1 Å²	69.1	50%	0.497	36%	0.361	S	S	.	.	H	α-helix	trans	-67.3	-31.1	176.9	57.8	0	0	0	0	114	S66 R72	S66-S68 PolarHBondContact O-N 3.2Å; S66-S68 PolarHBondContact OG-OG 2.79Å; S68-R72 WeakPolarHBondContact O-CD 3.27Å; S68-R72 VanDerWaalsContact O-CG 3.27Å; S68-R72 WeakPolarHBondContact O-CG 3.29Å; S68-R72 PolarHBondContact O-N 3.22Å
69	A	77.9	Confident	75.8	Confident	16 Å²	16	73.5 Å²	73.5	13%	0.132	37%	0.372	C	S	.	.	H	α-helix	trans	-76.4	-42.1	173.1	0	0	0	0	0	111.6	I65 S66 Q71 R72 L73 L103	I65-A69 HydrophobicContact CG2-CB 4.06Å; S66-A69 PolarHBondContact O-N 2.79Å; S66-A69 WeakPolarHBondContact OG-CB 3.27Å; S66-A69 PolarHBondContact OG-N 3.34Å; A69-Q71 VanDerWaalsContact C-N 3.35Å; A69-Q71 PolarHBondContact O-N 3.36Å; A69-R72 WeakPolarHBondContact O-CB 3.36Å; A69-R72 PolarHBondContact O-N 3.27Å; A69-L73 WeakPolarHBondContact O-CG 3.38Å; A69-L73 PolarHBondContact O-N 2.96Å; A69-L103 HydrophobicContact CB-CD2 3.71Å
70	L	78.9	Confident	77.2	Confident	99 Å²	99	67.9 Å²	67.9	52%	0.518	34%	0.343	S	S	.	.	H	α-helix	trans	-60	-44.4	176.9	-163.8	160.6	0	0	0	111	I65 S66 S67 R72 L73 R74	I65-L70 HydrophobicContact CG2-CB 4.07Å; S66-L70 PolarHBondContact O-N 3.19Å; S67-L70 PolarHBondContact O-N 2.82Å; L70-R72 VanDerWaalsContact C-N 3.34Å; L70-R72 PolarHBondContact O-N 3.13Å; L70-L73 PolarHBondContact O-N 2.74Å; L70-R74 PolarHBondContact O-N 3.28Å
71	Q	72.4	Confident	77.9	Confident	95 Å²	95	64.9 Å²	64.9	44%	0.444	33%	0.331	S	S	.	.	H	α-helix	trans	-65.9	-34	176.9	-169.9	68.4	-13.7	0	0	112.8	S67 A69 R74 I75	S67-Q71 PolarHBondContact O-N 3.46Å; A69-Q71 VanDerWaalsContact C-N 3.35Å; A69-Q71 PolarHBondContact O-N 3.36Å; Q71-R74 PolarHBondContact O-N 3.1Å; Q71-I75 HydrophobicContact CG-CD1 4.24Å; Q71-I75 WeakPolarHBondContact O-CD1 3.4Å; Q71-I75 VanDerWaalsContact O-CG1 3.3Å; Q71-I75 WeakPolarHBondContact O-CG1 3.46Å; Q71-I75 PolarHBondContact O-N 3.04Å; Q71-I75 VanDerWaalsContact O-N 3.08Å
72	R	79.3	Confident	78.1	Confident	174 Å²	174	70 Å²	70	66%	0.657	36%	0.357	S	S	*	.	H	α-helix	trans	-65.7	-43.9	172.3	-73.8	170.1	-173.3	-91.5	1.2	111.6	S68 A69 L70 I75 L76	S68-R72 WeakPolarHBondContact O-CD 3.27Å; S68-R72 VanDerWaalsContact O-CG 3.27Å; S68-R72 WeakPolarHBondContact O-CG 3.29Å; S68-R72 PolarHBondContact O-N 3.22Å; A69-R72 WeakPolarHBondContact O-CB 3.36Å; A69-R72 PolarHBondContact O-N 3.27Å; L70-R72 VanDerWaalsContact C-N 3.34Å; L70-R72 PolarHBondContact O-N 3.13Å; R72-I75 PolarHBondContact O-N 3.08Å; R72-L76 WeakPolarHBondContact O-CB 3.46Å; R72-L76 WeakPolarHBondContact O-CG 3.39Å; R72-L76 PolarHBondContact O-N 3.05Å
73	L	84.1	Confident	78.2	Confident	10 Å²	10	76.8 Å²	76.8	5%	0.052	38%	0.378	C	S	.	.	H	α-helix	trans	-62.4	-42.2	174.8	-71.5	170.3	0	0	0	111.8	V48 F49 A69 L70 I75 L76 L77 I96 E99 L100	V48-L73 HydrophobicContact CG1-CD1 4.33Å; F49-L73 HydrophobicContact CE2-CD1 4.15Å; F49-L73 HydrophobicContact CE2-CD2 4.23Å; F49-L73 HydrophobicContact CZ-CB 4.35Å; F49-L73 HydrophobicContact CZ-CD1 4.26Å; A69-L73 WeakPolarHBondContact O-CG 3.38Å; A69-L73 PolarHBondContact O-N 2.96Å; L70-L73 PolarHBondContact O-N 2.74Å; L73-I75 PolarHBondContact O-N 3.05Å; L73-L76 PolarHBondContact O-N 2.66Å; L73-L77 WeakPolarHBondContact O-CB 3.34Å; L73-L77 WeakPolarHBondContact O-CG 3.49Å; L73-L77 PolarHBondContact O-N 2.85Å; L73-I96 HydrophobicContact CD2-CD1 4.37Å; L73-E99 HydrophobicContact CD2-CB 3.73Å; L73-E99 HydrophobicContact CD2-CG 4.39Å; L73-L100 HydrophobicContact CD1-CD2 4.48Å
74	R	82.1	Confident	78.3	Confident	89 Å²	89	78.8 Å²	78.8	34%	0.336	40%	0.404	S	S	.	.	H	α-helix	trans	-56.1	-50	174	-174.2	-179.4	-175.2	166.6	2.2	111.5	L70 Q71 L76 Q78 E938	L70-R74 PolarHBondContact O-N 3.28Å; Q71-R74 PolarHBondContact O-N 3.1Å; R74-L76 PolarHBondContact O-N 3.33Å; R74-Q78 WeakPolarHBondContact O-CB 3.26Å; R74-Q78 WeakPolarHBondContact O-CG 3.45Å; R74-Q78 PolarHBondContact O-N 3.39Å; R74-E938 IonicContact NH1-OE1 2.83Å; R74-E938 PolarHBondContact NH1-OE1 3.08Å
75	I	79.3	Confident	78.7	Confident	74 Å²	74	76.9 Å²	76.9	38%	0.379	39%	0.393	S	S	.	.	H	α-helix	trans	-65.6	-36.8	180	-68	165.3	0	0	0	111.7	Q71 R72 L73 K79	Q71-I75 HydrophobicContact CG-CD1 4.24Å; Q71-I75 WeakPolarHBondContact O-CD1 3.4Å; Q71-I75 VanDerWaalsContact O-CG1 3.3Å; Q71-I75 WeakPolarHBondContact O-CG1 3.46Å; Q71-I75 PolarHBondContact O-N 3.04Å; Q71-I75 VanDerWaalsContact O-N 3.08Å; R72-I75 PolarHBondContact O-N 3.08Å; L73-I75 PolarHBondContact O-N 3.05Å; I75-K79 HydrophobicContact CG2-CD 4.29Å; I75-K79 WeakPolarHBondContact O-CB 3.25Å; I75-K79 WeakPolarHBondContact O-CG 3.45Å; I75-K79 PolarHBondContact O-N 3.18Å
76	L	85.2	Confident	79	Confident	50 Å²	50	77 Å²	77	26%	0.262	40%	0.397	S	S	.	.	H	α-helix	trans	-71.3	-45.8	177.8	-74	169.2	0	0	0	112.1	R72 L73 R74 Q78 K79 L80 E99	R72-L76 WeakPolarHBondContact O-CB 3.46Å; R72-L76 WeakPolarHBondContact O-CG 3.39Å; R72-L76 PolarHBondContact O-N 3.05Å; L73-L76 PolarHBondContact O-N 2.66Å; R74-L76 PolarHBondContact O-N 3.33Å; L76-Q78 VanDerWaalsContact C-N 3.32Å; L76-Q78 PolarHBondContact O-N 2.92Å; L76-K79 PolarHBondContact O-N 2.82Å; L76-K79 VanDerWaalsContact O-N 3.08Å; L76-L80 WeakPolarHBondContact O-CG 3.4Å; L76-L80 PolarHBondContact O-N 3.16Å; L76-E99 HydrophobicContact CD1-CG 3.55Å
77	L	81.8	Confident	79.3	Confident	45 Å²	45	76.1 Å²	76.1	24%	0.236	38%	0.384	C	S	.	.	H	α-helix	trans	-60.4	-41.4	174	-75.6	170.7	0	0	0	111.7	F49 L73 K79 L80 A81 W87 I96	F49-L77 HydrophobicContact CE1-CD1 3.66Å; F49-L77 HydrophobicContact CZ-CD1 3.63Å; L73-L77 WeakPolarHBondContact O-CB 3.34Å; L73-L77 WeakPolarHBondContact O-CG 3.49Å; L73-L77 PolarHBondContact O-N 2.85Å; L77-K79 VanDerWaalsContact C-N 3.34Å; L77-K79 PolarHBondContact O-N 2.71Å; L77-L80 PolarHBondContact O-N 3.35Å; L77-A81 VanDerWaalsContact O-CB 3.27Å; L77-A81 WeakPolarHBondContact O-CB 3.49Å; L77-A81 PolarHBondContact O-N 2.88Å; L77-W87 HydrophobicContact CD1-CH2 4.25Å; L77-W87 HydrophobicContact CD1-CZ2 4.39Å; L77-W87 HydrophobicContact CD2-CH2 3.66Å; L77-W87 HydrophobicContact CD2-CZ2 3.81Å; L77-W87 HydrophobicContact CD2-CZ3 4.34Å; L77-I96 HydrophobicContact CD2-CD1 3.76Å; L77-I96 HydrophobicContact CD2-CG1 4.39Å; L77-I96 HydrophobicContact CG-CD1 4.08Å
78	Q	78.4	Confident	79.7	Confident	85 Å²	85	78.4 Å²	78.4	40%	0.397	38%	0.383	S	S	.	.	H	α-helix	trans	-60.1	-41.4	172.2	-76.1	178.4	-47.7	0	0	112	R74 L76 A81 H82	R74-Q78 WeakPolarHBondContact O-CB 3.26Å; R74-Q78 WeakPolarHBondContact O-CG 3.45Å; R74-Q78 PolarHBondContact O-N 3.39Å; L76-Q78 VanDerWaalsContact C-N 3.32Å; L76-Q78 PolarHBondContact O-N 2.92Å; Q78-A81 PolarHBondContact O-N 2.98Å; Q78-H82 PolarHBondContact O-N 3.12Å; Q78-H82 PolarHBondContact O-ND1 3.38Å
79	K	79	Confident	80.3	Confident	135 Å²	135	77.8 Å²	77.8	59%	0.587	37%	0.374	S	S	*	.	H	α-helix	trans	-69.9	-30.3	177.7	-76.6	176.7	178.5	-174.6	0	114.2	I75 L76 L77 R83	I75-K79 HydrophobicContact CG2-CD 4.29Å; I75-K79 WeakPolarHBondContact O-CB 3.25Å; I75-K79 WeakPolarHBondContact O-CG 3.45Å; I75-K79 PolarHBondContact O-N 3.18Å; L76-K79 PolarHBondContact O-N 2.82Å; L76-K79 VanDerWaalsContact O-N 3.08Å; L77-K79 VanDerWaalsContact C-N 3.34Å; L77-K79 PolarHBondContact O-N 2.71Å; K79-R83 WeakPolarHBondContact O-CG 3.41Å
80	L	82.9	Confident	80.4	Confident	18 Å²	18	82.6 Å²	82.6	9%	0.094	40%	0.397	C	S	.	.	H	α-helix	trans	-72	-45.4	172.3	-67.2	168.2	0	0	0	110.3	L76 L77 H82 R83 G84 L85 T92 V95	L76-L80 WeakPolarHBondContact O-CG 3.4Å; L76-L80 PolarHBondContact O-N 3.16Å; L77-L80 PolarHBondContact O-N 3.35Å; L80-H82 PolarHBondContact O-N 2.99Å; L80-R83 CarbonylContact O-C 3.58Å; L80-R83 WeakPolarHBondContact O-CA 3.37Å; L80-R83 WeakPolarHBondContact O-CB 3.41Å; L80-R83 PolarHBondContact O-N 2.99Å; L80-G84 PolarHBondContact O-N 2.77Å; L80-L85 HydrophobicContact CB-CB 4.33Å; L80-L85 HydrophobicContact CD2-CD1 3.67Å; L80-L85 PolarHBondContact O-N 3.11Å; L80-L85 VanDerWaalsContact O-N 3.13Å; L80-T92 HydrophobicContact CD1-CG2 4.18Å; L80-V95 HydrophobicContact CD1-CB 4.44Å; L80-V95 HydrophobicContact CD1-CG1 4.17Å
81	A	79.3	Confident	80.4	Confident	30 Å²	30	82.8 Å²	82.8	25%	0.248	40%	0.398	C	S	.	.	H	α-helix	trans	-56.7	-47	174.9	0	0	0	0	0	113.1	L77 Q78 R83 G84 F149	L77-A81 VanDerWaalsContact O-CB 3.27Å; L77-A81 WeakPolarHBondContact O-CB 3.49Å; L77-A81 PolarHBondContact O-N 2.88Å; Q78-A81 PolarHBondContact O-N 2.98Å; A81-R83 PolarHBondContact O-N 2.98Å; A81-R83 VanDerWaalsContact O-N 3.08Å; A81-G84 PolarHBondContact O-N 3.45Å; A81-F149 HydrophobicContact CB-CE2 3.82Å; A81-F149 HydrophobicContact CB-CZ 3.46Å; A81-F149 VanDerWaalsContact CB-CZ 3.46Å
82	H	73.3	Confident	81	Confident	166 Å²	166	78.4 Å²	78.4	77%	0.769	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-5.8	176.5	-73.9	70.5	0	0	0	113.6	Q78 L80	Q78-H82 PolarHBondContact O-N 3.12Å; Q78-H82 PolarHBondContact O-ND1 3.38Å; L80-H82 PolarHBondContact O-N 2.99Å
83	R	77.5	Confident	81.3	Confident	181 Å²	181	71 Å²	71	68%	0.683	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.7	7.8	171.6	-70.4	-178.9	170.3	-157.1	-5.3	112.9	K79 L80 A81 L85	K79-R83 WeakPolarHBondContact O-CG 3.41Å; L80-R83 CarbonylContact O-C 3.58Å; L80-R83 WeakPolarHBondContact O-CA 3.37Å; L80-R83 WeakPolarHBondContact O-CB 3.41Å; L80-R83 PolarHBondContact O-N 2.99Å; A81-R83 PolarHBondContact O-N 2.98Å; A81-R83 VanDerWaalsContact O-N 3.08Å; R83-L85 VanDerWaalsContact C-N 3.29Å; R83-L85 HydrophobicContact CB-CD1 4.41Å; R83-L85 HydrophobicContact CB-CG 4.44Å; R83-L85 PolarHBondContact O-N 3.13Å
84	G	80.1	Confident	81.3	Confident	60 Å²	60	77.4 Å²	77.4	62%	0.619	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	75	11.6	179.9	0	0	0	0	0	115	L80 A81	L80-G84 PolarHBondContact O-N 2.77Å; A81-G84 PolarHBondContact O-N 3.45Å
85	L	82.3	Confident	81.4	Confident	39 Å²	39	75.1 Å²	75.1	20%	0.204	38%	0.376	C	S	.	.			trans	-84.1	132	-177.2	-63.7	170.3	0	0	0	111.5	L80 R83 D89 I91	L80-L85 HydrophobicContact CB-CB 4.33Å; L80-L85 HydrophobicContact CD2-CD1 3.67Å; L80-L85 PolarHBondContact O-N 3.11Å; L80-L85 VanDerWaalsContact O-N 3.13Å; R83-L85 VanDerWaalsContact C-N 3.29Å; R83-L85 HydrophobicContact CB-CD1 4.41Å; R83-L85 HydrophobicContact CB-CG 4.44Å; R83-L85 PolarHBondContact O-N 3.13Å; L85-D89 HydrophobicContact CD2-CB 4.14Å; L85-I91 HydrophobicContact CD1-CB 4.43Å; L85-I91 HydrophobicContact CD1-CG2 4.04Å
86	T	84.7	Confident	81.7	Confident	55 Å²	55	71.6 Å²	71.6	34%	0.337	36%	0.358	S	S	.	.			trans	-96.8	-177.9	-179.1	68.1	0	0	0	0	111.3	R88 D89 T92	T86-R88 VanDerWaalsContact C-N 3.34Å; T86-R88 PolarHBondContact OG1-N 3.47Å; T86-D89 WeakPolarHBondContact CB-OD2 3.47Å; T86-D89 PolarHBondContact N-OD2 2.9Å; T86-D89 PolarHBondContact OG1-OD2 3.05Å; T86-T92 WeakPolarHBondContact O-CB 3.19Å; T86-T92 WeakPolarHBondContact O-CG2 3.27Å; T86-T92 PolarHBondContact O-OG1 3.32Å
87	W	82.8	Confident	81.7	Confident	38 Å²	38	71 Å²	71	14%	0.144	36%	0.358	C	S	.	.	S	Bend	trans	-76.5	-22.5	169.3	-61.6	93.6	0	0	0	112.5	F28 E33 L36 F49 L77 D89 T92 Q93 I96	F28-W87 VanDerWaalsContact O-CE3 3.3Å; E33-W87 HydrophobicContact CB-CB 4.3Å; E33-W87 HydrophobicContact CB-CG 4.45Å; E33-W87 WeakPolarHBondContact OE2-CB 3.37Å; E33-W87 PolarHBondContact OE2-N 3.16Å; E33-W87 VanDerWaalsContact OE2-N 3.17Å; L36-W87 HydrophobicContact CD1-CB 3.8Å; L36-W87 HydrophobicContact CD2-CB 4.14Å; F49-W87 HydrophobicContact CB-CH2 4.14Å; F49-W87 HydrophobicContact CB-CZ3 4.34Å; F49-W87 AromaticContact CD1-CH2 3.61Å; F49-W87 HydrophobicContact CD1-CH2 3.61Å; F49-W87 HydrophobicContact CD1-CZ2 4.21Å; F49-W87 HydrophobicContact CD2-CH2 4.12Å; F49-W87 HydrophobicContact CD2-CZ3 4.42Å; F49-W87 HydrophobicContact CE1-CH2 4.01Å; F49-W87 HydrophobicContact CE2-CH2 4.46Å; F49-W87 AromaticContact CG-CH2 3.7Å; F49-W87 HydrophobicContact CG-CH2 3.7Å; F49-W87 HydrophobicContact CG-CZ3 4.2Å; F49-W87 HydrophobicContact CZ-CH2 4.42Å; L77-W87 HydrophobicContact CD1-CH2 4.25Å; L77-W87 HydrophobicContact CD1-CZ2 4.39Å; L77-W87 HydrophobicContact CD2-CH2 3.66Å; L77-W87 HydrophobicContact CD2-CZ2 3.81Å; L77-W87 HydrophobicContact CD2-CZ3 4.34Å; W87-D89 PolarHBondContact O-N 2.85Å; W87-T92 HydrophobicContact CE3-CG2 4.09Å; W87-Q93 PolarHBondContact O-NE2 3.25Å; W87-I96 HydrophobicContact CZ3-CG1 4.01Å; W87-I96 HydrophobicContact CZ3-CG2 4.26Å
88	R	80.5	Confident	81.8	Confident	117 Å²	117	77.3 Å²	77.3	44%	0.442	38%	0.379	S	S	.	.	S	Bend	trans	-64.9	-28.9	177.7	-70.9	174.7	-169.3	-132	-8.8	112.4	K27 E33 D34 E35 L36 T86	K27-R88 PolarHBondContact NZ-O 2.81Å; E33-R88 WeakPolarHBondContact OE1-CD 3.41Å; E33-R88 VanDerWaalsContact OE1-CG 3.26Å; E33-R88 WeakPolarHBondContact OE1-CG 3.42Å; E33-R88 IonicContact OE1-CZ 3.71Å; E33-R88 IonicContact OE1-NE 3.62Å; E33-R88 PolarHBondContact OE1-NE 3.3Å; D34-R88 PolarHBondContact O-NH2 3.08Å; E35-R88 IonicContact OE2-CZ 3.83Å; E35-R88 IonicContact OE2-NH1 2.7Å; E35-R88 PolarHBondContact OE2-NH1 2.86Å; E35-R88 VanDerWaalsContact OE2-NH1 3.14Å; E35-R88 IonicContact OE2-NH2 3.26Å; E35-R88 PolarHBondContact OE2-NH2 3.26Å; L36-R88 HydrophobicContact CD1-CG 3.89Å; T86-R88 VanDerWaalsContact C-N 3.34Å; T86-R88 PolarHBondContact OG1-N 3.47Å
89	D	83.8	Confident	82.1	Confident	58 Å²	58	75.2 Å²	75.2	31%	0.31	37%	0.369	S	S	.	.	S	Bend	trans	-68.2	128.4	-177.9	-66.1	-68.4	0	0	0	114.1	L85 T86 W87 I91 T92 Q93	L85-D89 HydrophobicContact CD2-CB 4.14Å; T86-D89 WeakPolarHBondContact CB-OD2 3.47Å; T86-D89 PolarHBondContact N-OD2 2.9Å; T86-D89 PolarHBondContact OG1-OD2 3.05Å; W87-D89 PolarHBondContact O-N 2.85Å; D89-I91 PolarHBondContact O-N 3.28Å; D89-T92 WeakPolarHBondContact O-CB 3.12Å; D89-T92 PolarHBondContact O-N 2.89Å; D89-Q93 PolarHBondContact O-N 3.15Å; D89-Q93 VanDerWaalsContact O-N 3.1Å
90	D	80.4	Confident	82.3	Confident	116 Å²	116	68.9 Å²	68.9	62%	0.62	34%	0.341	S	S	*	.	H	α-helix	trans	-63.9	-25.2	-178.7	-58.9	-38.5	0	0	0	112.8	K27 Q93 Q94	K27-D90 IonicContact NZ-OD1 3.5Å; K27-D90 PolarHBondContact NZ-OD1 2.99Å; D90-Q93 PolarHBondContact O-N 3.3Å; D90-Q94 WeakPolarHBondContact O-CB 3.45Å; D90-Q94 PolarHBondContact O-N 3.12Å
91	I	79.2	Confident	82.2	Confident	104 Å²	104	72.2 Å²	72.2	53%	0.533	37%	0.366	S	S	.	.	H	α-helix	trans	-64.9	-44.2	172.7	-60.1	176.4	0	0	0	110.6	L85 D89 Q94 V95	L85-I91 HydrophobicContact CD1-CB 4.43Å; L85-I91 HydrophobicContact CD1-CG2 4.04Å; D89-I91 PolarHBondContact O-N 3.28Å; I91-Q94 PolarHBondContact O-N 2.7Å; I91-V95 WeakPolarHBondContact O-CB 3.47Å; I91-V95 VanDerWaalsContact O-CG2 3.3Å; I91-V95 WeakPolarHBondContact O-CG2 3.46Å; I91-V95 PolarHBondContact O-N 3.35Å
92	T	84.4	Confident	82.4	Confident	3 Å²	3	77 Å²	77	2%	0.018	38%	0.381	C	S	.	.	H	α-helix	trans	-63.2	-45.7	175.2	-62	0	0	0	0	110.2	L80 T86 W87 D89 Q94 V95 I96	L80-T92 HydrophobicContact CD1-CG2 4.18Å; T86-T92 WeakPolarHBondContact O-CB 3.19Å; T86-T92 WeakPolarHBondContact O-CG2 3.27Å; T86-T92 PolarHBondContact O-OG1 3.32Å; W87-T92 HydrophobicContact CE3-CG2 4.09Å; D89-T92 WeakPolarHBondContact O-CB 3.12Å; D89-T92 PolarHBondContact O-N 2.89Å; T92-Q94 PolarHBondContact O-N 2.81Å; T92-V95 PolarHBondContact O-N 2.35Å; T92-I96 HydrophobicContact CG2-CG1 4.23Å; T92-I96 WeakPolarHBondContact O-CB 3.22Å; T92-I96 WeakPolarHBondContact O-CG1 3.33Å; T92-I96 PolarHBondContact O-N 3.24Å
93	Q	87.3	Confident	82.8	Confident	18 Å²	18	70.5 Å²	70.5	8%	0.084	35%	0.352	C	S	.	.	H	α-helix	trans	-58.9	-47.8	177.6	-67.3	-58.5	-33.8	0	0	112.2	K27 F28 W87 D89 D90 V95 I96 S97	K27-Q93 HydrophobicContact CD-CG 4.35Å; K27-Q93 HydrophobicContact CG-CG 4.35Å; F28-Q93 PolarHBondContact O-NE2 3.33Å; F28-Q93 PolarHBondContact O-OE1 2.87Å; W87-Q93 PolarHBondContact O-NE2 3.25Å; D89-Q93 PolarHBondContact O-N 3.15Å; D89-Q93 VanDerWaalsContact O-N 3.1Å; D90-Q93 PolarHBondContact O-N 3.3Å; Q93-V95 PolarHBondContact O-N 3.39Å; Q93-I96 PolarHBondContact O-N 2.85Å; Q93-S97 WeakPolarHBondContact O-CB 3.18Å; Q93-S97 PolarHBondContact O-N 3.31Å
94	Q	82.6	Confident	82.8	Confident	144 Å²	144	70.5 Å²	70.5	67%	0.673	35%	0.352	S	S	*	.	H	α-helix	trans	-64.8	-41.2	179.7	-168.7	-177.8	63.9	0	0	112.2	D90 I91 T92 R98	D90-Q94 WeakPolarHBondContact O-CB 3.45Å; D90-Q94 PolarHBondContact O-N 3.12Å; I91-Q94 PolarHBondContact O-N 2.7Å; T92-Q94 PolarHBondContact O-N 2.81Å; Q94-R98 WeakPolarHBondContact O-CB 3.47Å; Q94-R98 PolarHBondContact O-N 2.66Å
95	V	85.1	Confident	82.8	Confident	41 Å²	41	71.2 Å²	71.2	25%	0.248	34%	0.342	C	S	.	.	H	α-helix	trans	-66.3	-47.6	177.5	170.3	0	0	0	0	111.2	L80 I91 T92 Q93 R98 E99	L80-V95 HydrophobicContact CD1-CB 4.44Å; L80-V95 HydrophobicContact CD1-CG1 4.17Å; I91-V95 WeakPolarHBondContact O-CB 3.47Å; I91-V95 VanDerWaalsContact O-CG2 3.3Å; I91-V95 WeakPolarHBondContact O-CG2 3.46Å; I91-V95 PolarHBondContact O-N 3.35Å; T92-V95 PolarHBondContact O-N 2.35Å; Q93-V95 PolarHBondContact O-N 3.39Å; V95-R98 PolarHBondContact O-N 3.23Å; V95-E99 PolarHBondContact O-N 3.16Å
96	I	86	Confident	82.6	Confident	0 Å²	0	72.9 Å²	72.9	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-68.1	-44.3	-179.1	-64.8	-64.4	0	0	0	111.2	F28 F49 L73 L77 W87 T92 Q93 R98 E99 L100	F28-I96 HydrophobicContact CB-CG2 4.14Å; F49-I96 HydrophobicContact CD2-CG2 3.85Å; F49-I96 HydrophobicContact CE2-CD1 4.37Å; F49-I96 HydrophobicContact CE2-CG2 4.08Å; L73-I96 HydrophobicContact CD2-CD1 4.37Å; L77-I96 HydrophobicContact CD2-CD1 3.76Å; L77-I96 HydrophobicContact CD2-CG1 4.39Å; L77-I96 HydrophobicContact CG-CD1 4.08Å; W87-I96 HydrophobicContact CZ3-CG1 4.01Å; W87-I96 HydrophobicContact CZ3-CG2 4.26Å; T92-I96 HydrophobicContact CG2-CG1 4.23Å; T92-I96 WeakPolarHBondContact O-CB 3.22Å; T92-I96 WeakPolarHBondContact O-CG1 3.33Å; T92-I96 PolarHBondContact O-N 3.24Å; Q93-I96 PolarHBondContact O-N 2.85Å; I96-R98 VanDerWaalsContact C-N 3.29Å; I96-R98 PolarHBondContact O-N 3.39Å; I96-E99 PolarHBondContact O-N 3.41Å; I96-L100 HydrophobicContact CG2-CD1 3.66Å; I96-L100 HydrophobicContact CG2-CG 4Å; I96-L100 WeakPolarHBondContact O-CB 3.24Å; I96-L100 VanDerWaalsContact O-CG 3.32Å; I96-L100 WeakPolarHBondContact O-CG 3.39Å; I96-L100 PolarHBondContact O-N 3.12Å
97	S	84.6	Confident	81.8	Confident	38 Å²	38	75.1 Å²	75.1	27%	0.266	37%	0.365	S	S	.	.	H	α-helix	trans	-54.2	-46	172.7	-178.9	0	0	0	0	111.4	Q93 E99 L100 S101	Q93-S97 WeakPolarHBondContact O-CB 3.18Å; Q93-S97 PolarHBondContact O-N 3.31Å; S97-E99 PolarHBondContact O-N 2.88Å; S97-L100 PolarHBondContact O-N 3.41Å; S97-S101 WeakPolarHBondContact O-CB 3.15Å; S97-S101 PolarHBondContact O-N 3.05Å
98	R	84.3	Confident	80.5	Confident	178 Å²	178	77.9 Å²	77.9	67%	0.672	38%	0.382	S	S	*	.	H	α-helix	trans	-63.6	-38.1	178.1	-172.6	177.1	-174.3	-174.9	1.7	113.3	Q94 V95 I96 S101 K102	Q94-R98 WeakPolarHBondContact O-CB 3.47Å; Q94-R98 PolarHBondContact O-N 2.66Å; V95-R98 PolarHBondContact O-N 3.23Å; I96-R98 VanDerWaalsContact C-N 3.29Å; I96-R98 PolarHBondContact O-N 3.39Å; R98-S101 PolarHBondContact O-OG 2.96Å; R98-K102 WeakPolarHBondContact O-CE 3.38Å
99	E	85.1	Confident	78.6	Confident	41 Å²	41	83.4 Å²	83.4	19%	0.192	40%	0.403	C	S	.	.	H	α-helix	trans	-75.7	-43.8	175.9	-64.9	-51.5	125.6	0	0	112.8	L73 L76 V95 I96 S97 S101 K102	L73-E99 HydrophobicContact CD2-CB 3.73Å; L73-E99 HydrophobicContact CD2-CG 4.39Å; L76-E99 HydrophobicContact CD1-CG 3.55Å; V95-E99 PolarHBondContact O-N 3.16Å; I96-E99 PolarHBondContact O-N 3.41Å; S97-E99 PolarHBondContact O-N 2.88Å; E99-S101 PolarHBondContact O-N 3.37Å; E99-K102 WeakPolarHBondContact O-CB 3.39Å; E99-K102 PolarHBondContact O-N 3.39Å; E99-K102 WeakPolarHBondContact OE1-CE 3.17Å; E99-K102 IonicContact OE1-NZ 3.97Å; E99-K102 PolarHBondContact OE1-NZ 3.35Å; E99-K102 WeakPolarHBondContact OE2-CE 3.39Å; E99-K102 IonicContact OE2-NZ 2.74Å; E99-K102 PolarHBondContact OE2-NZ 3.18Å
100	L	82.9	Confident	76.3	Confident	1 Å²	1	89.7 Å²	89.7	1%	0.005	43%	0.431	C	S	.	.	H	α-helix	trans	-60.6	-32.3	176.4	-68.4	177.6	0	0	0	112.1	F28 V48 F49 H63 L73 I96 S97 K102 L103	F28-L100 HydrophobicContact CB-CD1 4.48Å; F28-L100 HydrophobicContact CD1-CD1 3.25Å; F28-L100 HydrophobicContact CE1-CD1 3.41Å; F28-L100 VanDerWaalsContact CE1-CD1 3.41Å; F28-L100 HydrophobicContact CG-CD1 3.93Å; F28-L100 HydrophobicContact CZ-CD1 4.23Å; V48-L100 HydrophobicContact CB-CD2 4.28Å; V48-L100 HydrophobicContact CG1-CD2 4.14Å; V48-L100 HydrophobicContact CG2-CD2 4.13Å; F49-L100 HydrophobicContact CD2-CD1 4.23Å; F49-L100 HydrophobicContact CD2-CD2 4.27Å; F49-L100 HydrophobicContact CE2-CD2 4.26Å; H63-L100 PolarHBondContact NE2-O 3.5Å; L73-L100 HydrophobicContact CD1-CD2 4.48Å; I96-L100 HydrophobicContact CG2-CD1 3.66Å; I96-L100 HydrophobicContact CG2-CG 4Å; I96-L100 WeakPolarHBondContact O-CB 3.24Å; I96-L100 VanDerWaalsContact O-CG 3.32Å; I96-L100 WeakPolarHBondContact O-CG 3.39Å; I96-L100 PolarHBondContact O-N 3.12Å; S97-L100 PolarHBondContact O-N 3.41Å; L100-K102 PolarHBondContact O-N 2.92Å; L100-K102 VanDerWaalsContact O-N 3.09Å; L100-L103 HydrophobicContact CD2-CD1 3.68Å; L100-L103 WeakPolarHBondContact O-CB 3.31Å; L100-L103 PolarHBondContact O-N 3Å
101	S	81.4	Confident	74	Confident	89 Å²	89	93 Å²	93	62%	0.622	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-14.6	174.7	80.2	0	0	0	0	114.8	S97 R98 E99	S97-S101 WeakPolarHBondContact O-CB 3.15Å; S97-S101 PolarHBondContact O-N 3.05Å; R98-S101 PolarHBondContact O-OG 2.96Å; E99-S101 PolarHBondContact O-N 3.37Å
102	K	82.4	Confident	71.6	Confident	130 Å²	130	93.3 Å²	93.3	57%	0.565	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-12.9	177.4	-52.8	174.2	-165.6	170.8	0	113	R98 E99 L100	R98-K102 WeakPolarHBondContact O-CE 3.38Å; E99-K102 WeakPolarHBondContact O-CB 3.39Å; E99-K102 PolarHBondContact O-N 3.39Å; E99-K102 WeakPolarHBondContact OE1-CE 3.17Å; E99-K102 IonicContact OE1-NZ 3.97Å; E99-K102 PolarHBondContact OE1-NZ 3.35Å; E99-K102 WeakPolarHBondContact OE2-CE 3.39Å; E99-K102 IonicContact OE2-NZ 2.74Å; E99-K102 PolarHBondContact OE2-NZ 3.18Å; L100-K102 PolarHBondContact O-N 2.92Å; L100-K102 VanDerWaalsContact O-N 3.09Å
103	L	81.1	Confident	69	Low	29 Å²	29	98.8 Å²	98.8	15%	0.152	49%	0.489	C	S	.	.	S	Bend	trans	-78.5	163.8	-179.8	-56	-175.3	0	0	0	111	H63 A69 L100	H63-L103 HydrophobicContact CB-CB 4.31Å; H63-L103 HydrophobicContact CB-CD1 3.91Å; H63-L103 WeakPolarHBondContact CE1-CB 3.33Å; A69-L103 HydrophobicContact CB-CD2 3.71Å; L100-L103 HydrophobicContact CD2-CD1 3.68Å; L100-L103 WeakPolarHBondContact O-CB 3.31Å; L100-L103 PolarHBondContact O-N 3Å
104	R	78.6	Confident	66.3	Low	181 Å²	181	103.3 Å²	103.3	68%	0.683	52%	0.521	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.8	122	179.2	-178.1	-172.7	-169.7	-178.1	5.8	110.3	D64	D64-R104 HydrophobicContact CB-CB 4.12Å; D64-R104 WeakPolarHBondContact CB-O 3.04Å; D64-R104 PolarHBondContact N-O 2.95Å
105	N	79.6	Confident	63.9	Low	75 Å²	75	102.8 Å²	102.8	40%	0.401	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	131.1	178	-61	-11.4	0	0	0	110.9	Y61 H63	Y61-N105 HydrophobicContact CD2-CB 3.58Å; Y61-N105 HydrophobicContact CE2-CB 4.05Å; Y61-N105 VanDerWaalsContact CE2-ND2 3.3Å; Y61-N105 WeakPolarHBondContact CE2-ND2 3.45Å; Y61-N105 VanDerWaalsContact CE2-OD1 3.29Å; Y61-N105 WeakPolarHBondContact CE2-OD1 3.37Å; Y61-N105 HydrophobicContact CG-CB 3.89Å; H63-N105 PolarHBondContact CE1-OD1 3.48Å; H63-N105 PolarHBondContact ND1-OD1 3.42Å; H63-N105 PolarHBondContact NE2-OD1 3.13Å
106	I	77.5	Confident	61.4	Low	75 Å²	75	106.1 Å²	106.1	39%	0.385	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.5	115.6	171.5	-57.9	176.2	0	0	0	108.6	Y61 T62 D64	Y61-I106 CarbonylContact C-O 3.6Å; Y61-I106 WeakPolarHBondContact CA-O 3.4Å; Y61-I106 VanDerWaalsContact CB-O 3.3Å; Y61-I106 WeakPolarHBondContact CB-O 3.29Å; T62-I106 PolarHBondContact N-O 3.16Å; T62-I106 PolarHBondContact O-N 3.24Å; D64-I106 HydrophobicContact CB-CD1 3.75Å; D64-I106 HydrophobicContact CB-CG1 4.08Å
107	P	68.9	Low	58.7	Low	101 Å²	101	114.8 Å²	114.8	66%	0.656	60%	0.595	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-71.7	132.2	179.8	28.3	-33.8	0	0	0	112.1	R109	P107-R109 PolarHBondContact O-N 3.24Å; P107-R109 VanDerWaalsContact O-N 3.12Å
108	L	55.6	Low	56	Low	96 Å²	96	120.2 Å²	120.2	50%	0.503	62%	0.621	S	S	.	*			trans	-75.6	98.1	178.7	-77.3	165.5	0	0	0	110.7	L60 T62 Q110	L60-L108 HydrophobicContact CB-CB 4.14Å; L60-L108 HydrophobicContact CB-CD1 4.08Å; L60-L108 PolarHBondContact O-N 3.03Å; T62-L108 HydrophobicContact CG2-CD1 4Å; T62-L108 HydrophobicContact CG2-CD2 4.14Å; T62-L108 HydrophobicContact CG2-CG 4.16Å; L108-Q110 PolarHBondContact O-N 2.92Å; L108-Q110 VanDerWaalsContact O-N 3.08Å
109	R	39.6	Very low	53.3	Low	233 Å²	233	118 Å²	118	88%	0.879	63%	0.627	S	S	*	*			trans	-70.2	104.4	-179.6	-169.4	178.6	-172.6	177	3.8	111.6	P107 Q111	P107-R109 PolarHBondContact O-N 3.24Å; P107-R109 VanDerWaalsContact O-N 3.12Å; R109-Q111 PolarHBondContact O-N 3.5Å
110	Q	36.7	Very low	50.5	Low	191 Å²	191	120.1 Å²	120.1	89%	0.893	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-55.5	122.9	176.1	-158.3	175.7	39.3	0	0	111.2	L108	L108-Q110 PolarHBondContact O-N 2.92Å; L108-Q110 VanDerWaalsContact O-N 3.08Å
111	Q	32.1	Very low	47.7	Very low	185 Å²	185	131.1 Å²	131.1	86%	0.864	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-89.1	128.8	176.5	-66.5	-173.6	3.4	0	0	110.4	R109	R109-Q111 PolarHBondContact O-N 3.5Å
112	S	27.1	Very low	45.1	Very low	111 Å²	111	131.8 Å²	131.8	78%	0.776	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-75.7	142.1	172.7	52.4	0	0	0	0	111.4
113	P	30.9	Very low	42.3	Very low	117 Å²	117	131.1 Å²	131.1	76%	0.76	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-72.9	143.3	-175.2	29.6	-35.5	0	0	0	112.9
114	P	30.8	Very low	39.7	Very low	114 Å²	114	135.5 Å²	135.5	74%	0.74	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-75	149.3	168.8	31.8	-34	0	0	0	111.6
115	P	32.3	Very low	37.3	Very low	132 Å²	132	137.7 Å²	137.7	86%	0.857	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-73	156	178.8	30.9	-35.6	0	0	0	112.9
116	S	31.9	Very low	34.9	Very low	111 Å²	111	142 Å²	142	78%	0.776	78%	0.775	S	S	*	*			trans	-117.8	130.9	-163.1	47.8	0	0	0	0	115.2
117	Q	29	Very low	32.5	Very low	182 Å²	182	149.5 Å²	149.5	85%	0.85	80%	0.799	S	S	*	*			trans	-146.4	125.8	152.5	-62.4	-168.7	-9.4	0	0	105.8
118	L	28.3	Very low	30.5	Very low	153 Å²	153	154.8 Å²	154.8	80%	0.801	81%	0.811	S	S	*	*				55.8	119	68.5	-62.5	169.5	0	0	0	110.6
119	T	28.5	Very low	29.2	Very low	130 Å²	130	157.7 Å²	157.7	80%	0.798	83%	0.826	S	S	*	*			cis	-158.1	174.6	12.8	-16.5	0	0	0	0	107.8
120	A	25.1	Very low	28.7	Very low	86 Å²	86	157.3 Å²	157.3	71%	0.711	83%	0.825	S	S	*	*			cis	-158.1	-153	13.6	0	0	0	0	0	113.4
121	Y	25.3	Very low	28.6	Very low	233 Å²	233	152.2 Å²	152.2	91%	0.914	81%	0.809	S	S	*	*			trans	-59.4	161.3	173.4	-72.8	-102.9	0	0	0	114.1
122	S	25	Very low	29.1	Very low	103 Å²	103	148.4 Å²	148.4	72%	0.72	80%	0.798	S	S	*	*			cis	-153.9	165.8	17.4	77.9	0	0	0	0	115
123	S	25.1	Very low	29.6	Very low	115 Å²	115	150.7 Å²	150.7	80%	0.804	80%	0.796	S	S	*	*			trans	53.4	101.7	145.1	-176.4	0	0	0	0	121.8
124	S	26.6	Very low	29.9	Very low	121 Å²	121	148.2 Å²	148.2	85%	0.846	79%	0.786	S	S	*	*				-163	168.4	116.7	-163.1	0	0	0	0	111.5
125	R	26.8	Very low	30.3	Very low	227 Å²	227	146.2 Å²	146.2	86%	0.857	77%	0.767	S	S	*	*			trans	-106.6	167.7	-173.7	-70.4	178.5	174.2	164.4	-2.7	113.3
126	N	29.9	Very low	30.6	Very low	165 Å²	165	145.9 Å²	145.9	88%	0.882	76%	0.757	S	S	*	*			trans	68.5	92.7	166.9	-68.5	-6	0	0	0	118.3
127	R	26.7	Very low	31	Very low	234 Å²	234	143.6 Å²	143.6	88%	0.883	74%	0.741	S	S	*	*			trans	-139.5	107.3	144.1	-150.8	175.3	-166.8	-177.4	3.8	108.9	L129	R127-L129 PolarHBondContact O-N 3.44Å
128	K	27.8	Very low	31.6	Very low	212 Å²	212	140.4 Å²	140.4	92%	0.922	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-69.1	122.9	172.9	-83.2	-172.8	173.3	-176.2	0	108.9
129	L	28.1	Very low	32.2	Very low	157 Å²	157	137.6 Å²	137.6	82%	0.822	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-77.7	157.7	160.3	-95.4	69.9	0	0	0	109.7	R127	R127-L129 PolarHBondContact O-N 3.44Å
130	R	29.3	Very low	32.9	Very low	224 Å²	224	135.4 Å²	135.4	85%	0.845	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-85.5	135.5	176.5	-60.2	177.5	-178.7	174.8	-1.2	110	T132	R130-T132 HydrophobicContact CB-CG2 4.47Å
131	P	33.5	Very low	33.7	Very low	85 Å²	85	135.9 Å²	135.9	55%	0.552	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-75.1	139.8	154.5	33.3	-31.1	0	0	0	109
132	T	42.4	Very low	34.6	Very low	104 Å²	104	130.3 Å²	130.3	64%	0.638	66%	0.66	S	S	*	*			trans	-143.6	-32.6	170.8	50.4	0	0	0	0	112.5	R130	R130-T132 HydrophobicContact CB-CG2 4.47Å
133	Q	39.1	Very low	35.3	Very low	160 Å²	160	132 Å²	132	75%	0.748	65%	0.651	S	S	*	*	H	α-helix	trans	-87.9	-43.6	-174.9	-161.4	166.6	2.5	0	0	113.5	E135	Q133-E135 PolarHBondContact O-N 2.87Å
134	A	36.4	Very low	36.3	Very low	65 Å²	65	129.6 Å²	129.6	54%	0.537	63%	0.629	S	S	.	*	H	α-helix	trans	-77.6	5	177.6	0	0	0	0	0	114.4	R138	A134-R138 PolarHBondContact O-NE 3.13Å; A134-R138 PolarHBondContact O-NH2 3.47Å
135	E	39.1	Very low	37.3	Very low	72 Å²	72	130 Å²	130	34%	0.336	62%	0.619	S	S	.	*	H	α-helix	trans	-105.7	-37.4	176.6	-146.7	110	-98.1	0	0	110.4	Q133 R138 N139	Q133-E135 PolarHBondContact O-N 2.87Å; E135-R138 PolarHBondContact O-N 3.35Å; E135-R138 IonicContact OE1-CZ 3.36Å; E135-R138 IonicContact OE1-NH1 2.78Å; E135-R138 PolarHBondContact OE1-NH1 2.91Å; E135-R138 IonicContact OE1-NH2 3.29Å; E135-R138 PolarHBondContact OE1-NH2 2.69Å; E135-N139 WeakPolarHBondContact O-CB 3.35Å; E135-N139 PolarHBondContact O-N 2.72Å; E135-N139 PolarHBondContact O-ND2 3.3Å; E135-N139 VanDerWaalsContact O-ND2 3.13Å
136	L	39.7	Very low	37.8	Very low	124 Å²	124	122.4 Å²	122.4	65%	0.649	61%	0.611	S	S	*	*	H	α-helix	trans	-62.5	-44.3	175.6	-173.8	65.6	0	0	0	112	R138 N139 L140	L136-R138 PolarHBondContact O-N 3.05Å; L136-N139 PolarHBondContact O-N 2.86Å; L136-L140 PolarHBondContact O-N 2.96Å
137	S	39.4	Very low	38.3	Very low	63 Å²	63	119.1 Å²	119.1	44%	0.441	59%	0.593	S	S	.	*	H	α-helix	trans	-61.6	-42.6	174.9	54.4	0	0	0	0	112.3	L140 Q141	S137-L140 PolarHBondContact O-N 3.14Å; S137-Q141 PolarHBondContact O-N 2.74Å
138	R	41.1	Very low	38.8	Very low	115 Å²	115	111.1 Å²	111.1	43%	0.434	58%	0.583	S	S	.	*	H	α-helix	trans	-65.2	-42.6	179.6	-140.6	-173.2	-49.5	129.9	12.9	111.7	A134 E135 L136 L140 Q141 Q142	A134-R138 PolarHBondContact O-NE 3.13Å; A134-R138 PolarHBondContact O-NH2 3.47Å; E135-R138 PolarHBondContact O-N 3.35Å; E135-R138 IonicContact OE1-CZ 3.36Å; E135-R138 IonicContact OE1-NH1 2.78Å; E135-R138 PolarHBondContact OE1-NH1 2.91Å; E135-R138 IonicContact OE1-NH2 3.29Å; E135-R138 PolarHBondContact OE1-NH2 2.69Å; L136-R138 PolarHBondContact O-N 3.05Å; R138-L140 VanDerWaalsContact C-N 3.35Å; R138-Q141 PolarHBondContact O-N 2.6Å; R138-Q142 WeakPolarHBondContact O-CG 3.37Å; R138-Q142 PolarHBondContact O-N 3.2Å
139	N	41.5	Very low	39.1	Very low	94 Å²	94	105.9 Å²	105.9	50%	0.503	56%	0.561	S	S	.	*	H	α-helix	trans	-64.2	-37.7	173.4	-74.3	-38.9	0	0	0	111.9	E135 L136 Q142 Y143	E135-N139 WeakPolarHBondContact O-CB 3.35Å; E135-N139 PolarHBondContact O-N 2.72Å; E135-N139 PolarHBondContact O-ND2 3.3Å; E135-N139 VanDerWaalsContact O-ND2 3.13Å; L136-N139 PolarHBondContact O-N 2.86Å; N139-Q142 PolarHBondContact O-N 3.12Å; N139-Y143 WeakPolarHBondContact O-CB 3.34Å; N139-Y143 PolarHBondContact O-N 2.87Å
140	L	42.3	Very low	39.1	Very low	84 Å²	84	108 Å²	108	44%	0.44	56%	0.558	S	S	.	*	H	α-helix	trans	-65.5	-43	174.9	-139.8	87.2	0	0	0	111.8	F32 L136 S137 R138 Y143 L144	F32-L140 HydrophobicContact CE1-CD2 3.66Å; F32-L140 HydrophobicContact CZ-CD2 3.68Å; L136-L140 PolarHBondContact O-N 2.96Å; S137-L140 PolarHBondContact O-N 3.14Å; R138-L140 VanDerWaalsContact C-N 3.35Å; L140-Y143 PolarHBondContact O-N 2.86Å; L140-L144 WeakPolarHBondContact O-CG 3.41Å; L140-L144 PolarHBondContact O-N 3.44Å
141	Q	43.1	Very low	39.1	Very low	97 Å²	97	102.9 Å²	102.9	45%	0.453	55%	0.554	S	S	.	*	H	α-helix	trans	-62.8	-41.4	173.9	-79.1	178.4	-53.4	0	0	112.2	S137 R138 Y143 L144 M145	S137-Q141 PolarHBondContact O-N 2.74Å; R138-Q141 PolarHBondContact O-N 2.6Å; Q141-Y143 VanDerWaalsContact C-N 3.34Å; Q141-Y143 PolarHBondContact O-N 3.47Å; Q141-L144 PolarHBondContact O-N 2.72Å; Q141-M145 WeakPolarHBondContact O-CG 3.34Å; Q141-M145 PolarHBondContact O-N 2.88Å
142	Q	43.9	Very low	38.7	Very low	115 Å²	115	105.4 Å²	105.4	54%	0.537	56%	0.563	S	S	.	*	H	α-helix	trans	-65	-36.5	174.2	-73.8	-176.2	-100.7	0	0	112.6	R138 N139 M145 G146	R138-Q142 WeakPolarHBondContact O-CG 3.37Å; R138-Q142 PolarHBondContact O-N 3.2Å; N139-Q142 PolarHBondContact O-N 3.12Å; Q142-M145 HydrophobicContact CG-CE 3.99Å; Q142-M145 PolarHBondContact O-N 3.28Å; Q142-G146 PolarHBondContact O-N 3.36Å
143	Y	40.6	Very low	38.3	Very low	139 Å²	139	105 Å²	105	55%	0.545	57%	0.57	S	S	.	*	H	α-helix	trans	-67.4	-37.9	175.3	-166.8	-100.9	0	0	0	112	N139 L140 Q141 G146 L147	N139-Y143 WeakPolarHBondContact O-CB 3.34Å; N139-Y143 PolarHBondContact O-N 2.87Å; L140-Y143 PolarHBondContact O-N 2.86Å; Q141-Y143 VanDerWaalsContact C-N 3.34Å; Q141-Y143 PolarHBondContact O-N 3.47Å; Y143-G146 PolarHBondContact O-N 3.24Å; Y143-L147 HydrophobicContact CD1-CD1 3.92Å; Y143-L147 HydrophobicContact CE1-CD1 3.87Å; Y143-L147 WeakPolarHBondContact O-CG 3.41Å; Y143-L147 PolarHBondContact O-N 2.66Å
144	L	46	Very low	37.8	Very low	65 Å²	65	104.4 Å²	104.4	34%	0.34	57%	0.572	S	S	.	*	H	α-helix	trans	-69.5	-39.4	174.8	-70.5	167.4	0	0	0	112.6	F32 L140 Q141 G146 L147	F32-L144 HydrophobicContact CD1-CD1 4Å; F32-L144 HydrophobicContact CE1-CD1 4.27Å; L140-L144 WeakPolarHBondContact O-CG 3.41Å; L140-L144 PolarHBondContact O-N 3.44Å; Q141-L144 PolarHBondContact O-N 2.72Å; L144-G146 PolarHBondContact O-N 3.39Å; L144-L147 HydrophobicContact CD2-CD1 4.43Å; L144-L147 PolarHBondContact O-N 2.71Å
145	M	45.7	Very low	37.2	Very low	130 Å²	130	106.6 Å²	106.6	64%	0.64	58%	0.579	S	S	*	*	H	α-helix	trans	-61.7	-31.9	169.7	-73.6	-170.7	-69.7	0	0	112.2	Q141 Q142 L147	Q141-M145 WeakPolarHBondContact O-CG 3.34Å; Q141-M145 PolarHBondContact O-N 2.88Å; Q142-M145 HydrophobicContact CG-CE 3.99Å; Q142-M145 PolarHBondContact O-N 3.28Å; M145-L147 PolarHBondContact O-N 2.84Å
146	G	39.1	Very low	36.6	Very low	67 Å²	67	112.4 Å²	112.4	69%	0.691	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	-11.2	173.4	0	0	0	0	0	115.2	Q142 Y143 L144	Q142-G146 PolarHBondContact O-N 3.36Å; Y143-G146 PolarHBondContact O-N 3.24Å; L144-G146 PolarHBondContact O-N 3.39Å
147	L	40.7	Very low	35.8	Very low	95 Å²	95	114.5 Å²	114.5	50%	0.497	61%	0.609	S	S	.	*	T	Hydrogen-bonded Turn	trans	-98.7	14.8	-178	-74	167.3	0	0	0	113.8	Y143 L144 M145	Y143-L147 HydrophobicContact CD1-CD1 3.92Å; Y143-L147 HydrophobicContact CE1-CD1 3.87Å; Y143-L147 WeakPolarHBondContact O-CG 3.41Å; Y143-L147 PolarHBondContact O-N 2.66Å; L144-L147 HydrophobicContact CD2-CD1 4.43Å; L144-L147 PolarHBondContact O-N 2.71Å; M145-L147 PolarHBondContact O-N 2.84Å
148	G	35.7	Very low	35.2	Very low	66 Å²	66	117.9 Å²	117.9	68%	0.68	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	85.2	4.3	170.7	0	0	0	0	0	115.9	R150	G148-R150 PolarHBondContact O-N 2.86Å
149	F	34.3	Very low	34.4	Very low	103 Å²	103	119.2 Å²	119.2	45%	0.452	63%	0.629	S	S	.	*			trans	-69.9	93.7	170.2	-79.4	-73.2	0	0	0	110.9	A81	A81-F149 HydrophobicContact CB-CE2 3.82Å; A81-F149 HydrophobicContact CB-CZ 3.46Å; A81-F149 VanDerWaalsContact CB-CZ 3.46Å
150	R	28.1	Very low	33.6	Very low	202 Å²	202	121.2 Å²	121.2	76%	0.762	64%	0.64	S	S	*	*			trans	-92.2	129.4	173	-161.1	-174.9	-162.9	-148.7	6.5	109.3	G148 D152	G148-R150 PolarHBondContact O-N 2.86Å; R150-D152 IonicContact NH1-OD1 3.57Å; R150-D152 PolarHBondContact O-N 3.41Å
151	P	28.8	Very low	32.6	Very low	116 Å²	116	125.6 Å²	125.6	75%	0.753	66%	0.658	S	S	*	*			trans	-72.5	107.4	163.9	29.2	-30.6	0	0	0	108.3	A153	P151-A153 PolarHBondContact O-N 2.82Å
152	D	26.8	Very low	32.1	Very low	138 Å²	138	126.7 Å²	126.7	74%	0.738	67%	0.673	S	S	*	*			trans	-74.1	96.6	171.9	-82.8	-23	0	0	0	109.5	R150	R150-D152 IonicContact NH1-OD1 3.57Å; R150-D152 PolarHBondContact O-N 3.41Å
153	A	33.8	Very low	31.1	Very low	95 Å²	95	126.2 Å²	126.2	79%	0.785	68%	0.678	S	S	*	*			trans	-96	109.2	167.3	0	0	0	0	0	108.8	P151	P151-A153 PolarHBondContact O-N 2.82Å
154	D	27	Very low	30.3	Very low	148 Å²	148	126.2 Å²	126.2	79%	0.791	69%	0.686	S	S	*	*			trans	-135.2	91.4	174.8	-140.4	-16.7	0	0	0	114.1
155	T	25.3	Very low	29.3	Very low	111 Å²	111	130.2 Å²	130.2	68%	0.681	70%	0.703	S	S	*	*			trans	51.9	112.4	130.4	-45.5	0	0	0	0	120.3
156	K	25.2	Very low	28.4	Very low	194 Å²	194	129.7 Å²	129.7	84%	0.843	70%	0.703	S	S	*	*				-168.3	152	120.7	-109	152.7	-168.8	165.6	0	115.8
157	Q	24.6	Very low	27.7	Very low	167 Å²	167	134 Å²	134	78%	0.78	71%	0.705	S	S	*	*			trans	79.7	140.6	165.3	-66.2	-173.8	-40.4	0	0	119.3
158	Q	24.8	Very low	27	Very low	135 Å²	135	136.2 Å²	136.2	63%	0.631	72%	0.717	S	S	*	*			cis	-163.3	145.3	-20.9	-169.2	156.6	-35.8	0	0	111.1
159	E	25.9	Very low	26.6	Very low	143 Å²	143	140.9 Å²	140.9	67%	0.668	73%	0.725	S	S	*	*			trans	72.6	149.1	154.1	-93.5	166.8	-126.5	0	0	125
160	N	25	Very low	26.2	Very low	136 Å²	136	142 Å²	142	73%	0.727	74%	0.74	S	S	*	*			trans	73.1	95	153.2	-60.4	-29.8	0	0	0	122.2
161	Q	20.6	Very low	26.6	Very low	175 Å²	175	138.2 Å²	138.2	82%	0.818	74%	0.742	S	S	*	*			trans	-49.5	149.9	138.8	-78.1	-178.8	-10.2	0	0	111.8
162	P	31.3	Very low	26.5	Very low	120 Å²	120	141.7 Å²	141.7	78%	0.779	75%	0.748	S	S	*	*				-140.5	134.8	84.3	35	-17.2	0	0	0	113.8
163	V	23	Very low	26.5	Very low	105 Å²	105	140.4 Å²	140.4	64%	0.636	76%	0.757	S	S	*	*				103.8	137.6	66.3	157.5	0	0	0	0	112.3
164	I	24.9	Very low	26.3	Very low	140 Å²	140	143.1 Å²	143.1	72%	0.718	76%	0.757	S	S	*	*			trans	71.3	140.8	163.7	-79.9	167.6	0	0	0	116.7
165	Q	25	Very low	26.2	Very low	149 Å²	149	145.5 Å²	145.5	70%	0.696	76%	0.761	S	S	*	*			cis	-160.2	161.1	-8.4	-120.5	162.7	9.5	0	0	112.7
166	N	25.6	Very low	26.4	Very low	119 Å²	119	149.5 Å²	149.5	64%	0.636	77%	0.769	S	S	*	*			trans	16.3	153.1	130.9	-57.8	40.1	0	0	0	120.1
167	E	26.3	Very low	27.1	Very low	158 Å²	158	146.6 Å²	146.6	74%	0.738	77%	0.77	S	S	*	*			cis	-161.3	-174.4	1.5	-126.3	163	-145.5	0	0	112.3
168	D	24.7	Very low	27.1	Very low	140 Å²	140	142.2 Å²	142.2	75%	0.749	77%	0.769	S	S	*	*			trans	-58.9	170.4	170.9	-64.2	-79.4	0	0	0	115.3
169	I	27.4	Very low	27.3	Very low	164 Å²	164	144 Å²	144	84%	0.841	78%	0.777	S	S	*	*				176	126.6	116.2	-88.6	158.1	0	0	0	112.2
170	T	25.2	Very low	28	Very low	126 Å²	126	143 Å²	143	77%	0.773	78%	0.783	S	S	*	*			trans	-79.6	161	168.3	1.9	0	0	0	0	111.2
171	P	37.9	Very low	28.1	Very low	123 Å²	123	145.1 Å²	145.1	80%	0.799	79%	0.786	S	S	*	*				-157.7	-163.1	75	43.2	-20.4	0	0	0	117
172	E	25.9	Very low	29	Very low	190 Å²	190	141.8 Å²	141.8	89%	0.888	78%	0.779	S	S	*	*			trans	-70.1	162.2	-175.3	-47.2	164.6	102.9	0	0	115.4
173	A	26.9	Very low	28.8	Very low	110 Å²	110	144.8 Å²	144.8	91%	0.909	78%	0.78	S	S	*	*				-173.4	160.2	127.3	0	0	0	0	0	114.1
174	L	28.8	Very low	29.1	Very low	152 Å²	152	147.8 Å²	147.8	80%	0.796	79%	0.787	S	S	*	*			trans	-122	133.2	-163.9	177.7	94.4	0	0	0	112.6
175	K	25.3	Very low	29	Very low	199 Å²	199	145.8 Å²	145.8	87%	0.865	78%	0.782	S	S	*	*			trans	163.2	166.4	134.4	-90.5	164.1	-175.9	172.4	0	116.7
176	K	30.8	Very low	29	Very low	195 Å²	195	149.3 Å²	149.3	85%	0.848	79%	0.789	S	S	*	*			trans	-94.6	164.8	-177.7	-60.7	179.9	179.2	177.7	0	113.7
177	P	39.9	Very low	29.1	Very low	133 Å²	133	150.2 Å²	150.2	86%	0.864	79%	0.787	S	S	*	*				-126.3	-161.3	102.1	29.5	-14.5	0	0	0	111.8
178	G	24.6	Very low	29.1	Very low	74 Å²	74	149 Å²	149	76%	0.763	78%	0.781	S	S	*	*			cis	-168.3	-153.2	6.3	0	0	0	0	0	113.3
179	Q	28.8	Very low	29.1	Very low	172 Å²	172	147.3 Å²	147.3	80%	0.804	78%	0.776	S	S	*	*			trans	-157.2	168.2	-179.9	-137.1	-177.8	39.8	0	0	110.5
180	P	40.1	Very low	29	Very low	122 Å²	122	145.2 Å²	145.2	79%	0.792	77%	0.771	S	S	*	*				-153.9	-172	79.2	40.5	-18.5	0	0	0	117.6
181	K	27.8	Very low	28.9	Very low	181 Å²	181	145.1 Å²	145.1	79%	0.787	76%	0.764	S	S	*	*			trans	-103	-172.3	173.3	-82.1	-177	176.1	179.1	0	110.3
182	P	39.8	Very low	28.3	Very low	105 Å²	105	149.5 Å²	149.5	68%	0.682	77%	0.767	S	S	*	*			cis	-154.8	-169.3	21.5	47.6	-25.4	0	0	0	120.6
183	K	25.3	Very low	28.2	Very low	184 Å²	184	144.6 Å²	144.6	80%	0.8	75%	0.753	S	S	*	*			trans	72.1	131	163.3	-66.4	175.6	-178.7	179.9	0	117.7
184	Q	29.4	Very low	28.3	Very low	168 Å²	168	146.9 Å²	146.9	79%	0.785	75%	0.749	S	S	*	*				76.3	144.1	61.2	-95	-178.2	-19.5	0	0	113.6
185	T	24	Very low	28.1	Very low	98 Å²	98	147 Å²	147	60%	0.601	75%	0.746	S	S	*	*			cis	-164.7	168	30.6	-12	0	0	0	0	114
186	W	24.3	Very low	28.1	Very low	223 Å²	223	146.6 Å²	146.6	85%	0.845	74%	0.744	S	S	*	*			trans	74.2	149.6	158.4	-67.4	6.9	0	0	0	116.8
187	K	27.3	Very low	28	Very low	138 Å²	138	140.8 Å²	140.8	60%	0.6	74%	0.74	S	S	*	*			cis	-162.3	172.8	7	-124.1	175.8	176.7	-130.1	0	108.1
188	E	27	Very low	27.2	Very low	133 Å²	133	139.5 Å²	139.5	62%	0.621	74%	0.74	S	S	*	*			cis	-159.4	143.8	-2.6	-163.8	138.7	-133.2	0	0	112.9
189	T	24.6	Very low	27.3	Very low	104 Å²	104	139.3 Å²	139.3	64%	0.638	74%	0.738	S	S	*	*			trans	30.8	150.4	144.7	-47.5	0	0	0	0	126.1
190	T	26	Very low	27.2	Very low	120 Å²	120	140.3 Å²	140.3	74%	0.736	74%	0.743	S	S	*	*			trans	105.9	113	160.2	-42.4	0	0	0	0	115
191	I	23.4	Very low	27.4	Very low	123 Å²	123	140.3 Å²	140.3	63%	0.631	74%	0.743	S	S	*	*			cis	94.2	137.3	2.5	-45.2	170.4	0	0	0	117
192	Y	25.1	Very low	27.8	Very low	216 Å²	216	137.5 Å²	137.5	85%	0.847	74%	0.743	S	S	*	*			trans	71.4	159	-175.2	-56.6	-76.4	0	0	0	116.5
193	S	22.7	Very low	27.2	Very low	87 Å²	87	138.3 Å²	138.3	61%	0.608	75%	0.746	S	S	*	*				155.5	132.7	-51.6	63.8	0	0	0	0	110.8
194	L	29.1	Very low	27.3	Very low	157 Å²	157	136 Å²	136	82%	0.822	75%	0.747	S	S	*	*			trans	164.2	135	151.3	-112.7	65.1	0	0	0	106.8
195	Q	24	Very low	27	Very low	154 Å²	154	137 Å²	137	72%	0.72	75%	0.749	S	S	*	*			cis	104	121.2	11.1	-165.8	-178.6	44.5	0	0	115.9
196	K	26.4	Very low	27.2	Very low	192 Å²	192	138.5 Å²	138.5	84%	0.835	76%	0.758	S	S	*	*			trans	66.2	152	173.9	-72.5	164.8	179.9	178	0	115.4
197	G	27.8	Very low	27.1	Very low	73 Å²	73	133.4 Å²	133.4	75%	0.753	75%	0.751	S	S	*	*			cis	179.2	-164.4	-0.5	0	0	0	0	0	108.9
198	A	23.4	Very low	27.3	Very low	105 Å²	105	133.1 Å²	133.1	87%	0.868	76%	0.761	S	S	*	*			cis	-171.7	151.9	-24.8	0	0	0	0	0	108.8
199	G	27.5	Very low	27.3	Very low	70 Å²	70	135.2 Å²	135.2	72%	0.722	77%	0.768	S	S	*	*			trans	87.5	137.7	-178	0	0	0	0	0	113.6
200	Q	27	Very low	27.3	Very low	193 Å²	193	136.2 Å²	136.2	90%	0.902	78%	0.779	S	S	*	*			cis	63.4	144.3	22.5	-52.7	-176.5	-29.5	0	0	115.1
201	P	42.9	Very low	27.3	Very low	122 Å²	122	133.3 Å²	133.3	79%	0.792	77%	0.773	S	S	*	*			cis	-110.6	-148	-6.4	44.7	-32.5	0	0	0	109.9
202	P	36	Very low	27.2	Very low	123 Å²	123	135.8 Å²	135.8	80%	0.799	79%	0.788	S	S	*	*			cis	-128	-105.1	-13.8	36.4	-14	0	0	0	114.2
203	V	27.1	Very low	27.2	Very low	122 Å²	122	128.2 Å²	128.2	74%	0.739	78%	0.775	S	S	*	*			trans	-148.8	132.3	-167.9	169.2	0	0	0	0	111.7
204	T	27.6	Very low	27.2	Very low	135 Å²	135	135.5 Å²	135.5	83%	0.828	79%	0.789	S	S	*	*			trans	-163.5	126.5	153.5	24.3	0	0	0	0	106.3
205	K	23.3	Very low	27.7	Very low	188 Å²	188	136.6 Å²	136.6	82%	0.817	79%	0.79	S	S	*	*			cis	69.9	148.3	32.8	-119.9	-175.1	-170.3	-176.3	0	114
206	V	27.7	Very low	28	Very low	131 Å²	131	134.6 Å²	134.6	79%	0.794	79%	0.79	S	S	*	*			trans	75.6	106.9	-167	-169.6	0	0	0	0	112.1
207	V	24.1	Very low	28.1	Very low	115 Å²	115	134.6 Å²	134.6	70%	0.697	79%	0.79	S	S	*	*			cis	81.9	101.9	33.4	-171.5	0	0	0	0	115
208	T	30.1	Very low	28	Very low	133 Å²	133	139 Å²	139	82%	0.816	80%	0.796	S	S	*	*				-118	108.5	129.8	42.7	0	0	0	0	106.6
209	K	27.1	Very low	28.1	Very low	177 Å²	177	138.8 Å²	138.8	77%	0.77	79%	0.788	S	S	*	*				70.1	110.5	98.2	-72.7	-177.8	177.3	-176.5	0	111.8
210	S	24.5	Very low	28.1	Very low	124 Å²	124	141.8 Å²	141.8	87%	0.867	79%	0.793	S	S	*	*				77.9	131.8	63.7	-178.6	0	0	0	0	111.8
211	G	25.7	Very low	28.1	Very low	59 Å²	59	136.2 Å²	136.2	61%	0.608	78%	0.779	S	S	*	*			cis	-121.2	-165.2	-3	0	0	0	0	0	111.9
212	D	22.8	Very low	27.4	Very low	175 Å²	175	140.6 Å²	140.6	94%	0.936	78%	0.781	S	S	*	*			cis	57.4	130.2	24	-162.3	14.1	0	0	0	114.3
213	G	23.9	Very low	26.9	Very low	57 Å²	57	139.4 Å²	139.4	59%	0.588	78%	0.776	S	S	*	*			trans	113	88.1	-179.5	0	0	0	0	0	116.9
214	R	23.7	Very low	26.9	Very low	240 Å²	240	137.7 Å²	137.7	91%	0.906	77%	0.77	S	S	*	*				45	140.7	125.1	-56.7	174.4	-170	-175.5	2.1	121.6
215	H	39.3	Very low	27	Very low	180 Å²	180	139.8 Å²	139.8	83%	0.833	77%	0.77	S	S	*	*			trans	-26.8	145	152.1	-45.3	-76.2	0	0	0	115.5
216	P	30.7	Very low	27.1	Very low	112 Å²	112	138.4 Å²	138.4	73%	0.727	77%	0.766	S	S	*	*				-124.9	163.4	64.9	37.9	-25.6	0	0	0	113.3
217	K	28.2	Very low	27.8	Very low	192 Å²	192	137.6 Å²	137.6	84%	0.835	76%	0.764	S	S	*	*			cis	63.7	148	49.8	-91.8	-170.5	177.2	-176.3	0	113.7
218	L	24.6	Very low	28.1	Very low	165 Å²	165	136.6 Å²	136.6	86%	0.864	76%	0.755	S	S	*	*			trans	76.4	120.3	-173.3	-59.9	158	0	0	0	112.1
219	S	26.6	Very low	28.2	Very low	101 Å²	101	139.3 Å²	139.3	71%	0.706	75%	0.75	S	S	*	*			cis	57.6	118.5	19	-157.5	0	0	0	0	112.5
220	T	27.8	Very low	28.3	Very low	134 Å²	134	135.4 Å²	135.4	82%	0.822	75%	0.745	S	S	*	*			cis	-137.1	-177	33.9	48.5	0	0	0	0	110
221	A	27.1	Very low	28.4	Very low	75 Å²	75	138.6 Å²	138.6	62%	0.62	74%	0.743	S	S	*	*			cis	-167.8	-175.3	35.7	0	0	0	0	0	107.5
222	Y	28.1	Very low	28.5	Very low	214 Å²	214	142.2 Å²	142.2	84%	0.839	75%	0.748	S	S	*	*			cis	-159.2	161.1	36.1	-119.1	-87.9	0	0	0	110.4
223	S	25.7	Very low	28.6	Very low	98 Å²	98	140.8 Å²	140.8	69%	0.685	74%	0.739	S	S	*	*			trans	38.4	144.8	142	-94.3	0	0	0	0	123.1
224	S	26.2	Very low	28.6	Very low	87 Å²	87	142.8 Å²	142.8	61%	0.608	74%	0.744	S	S	*	*			cis	-177.4	170.2	-5.9	37	0	0	0	0	111.6
225	H	29.8	Very low	28.7	Very low	178 Å²	178	138.1 Å²	138.1	82%	0.824	74%	0.737	S	S	*	*			trans	79.7	92.6	161.6	-71.8	-67.2	0	0	0	120
226	E	26.3	Very low	28.1	Very low	160 Å²	160	137.3 Å²	137.3	75%	0.748	73%	0.734	S	S	*	*				-10.3	158.2	116.9	-91.2	-177.5	173.4	0	0	117.9
227	P	41.4	Very low	27.8	Very low	114 Å²	114	139.6 Å²	139.6	74%	0.74	74%	0.739	S	S	*	*			cis	-140.7	-178.6	40.6	47.5	-31.2	0	0	0	114.1
228	D	30.7	Very low	27.6	Very low	94 Å²	94	137.4 Å²	137.4	50%	0.503	73%	0.732	S	S	.	*			cis	-161.6	165.7	-12.3	-128.3	-35.3	0	0	0	105.8
229	R	32.4	Very low	27.6	Very low	189 Å²	189	137 Å²	137	71%	0.713	73%	0.725	S	S	*	*			cis	-158.8	128.8	2.2	-173	158.2	-84.3	-166.5	0.7	111.4
230	S	28.2	Very low	27.5	Very low	96 Å²	96	139.4 Å²	139.4	67%	0.671	73%	0.73	S	S	*	*			trans	60.2	155.4	149.6	75.2	0	0	0	0	120.8
231	K	27.3	Very low	27.9	Very low	191 Å²	191	140.3 Å²	140.3	83%	0.83	73%	0.729	S	S	*	*			cis	-165.9	166.1	-12.7	-103.3	166.8	-172.9	176.4	0	104.3
232	L	27.6	Very low	28.2	Very low	135 Å²	135	142.7 Å²	142.7	71%	0.707	74%	0.738	S	S	*	*			cis	-160.9	151.1	25.3	-160.8	76.9	0	0	0	110.7
233	L	24.7	Very low	28.1	Very low	144 Å²	144	135.4 Å²	135.4	75%	0.754	73%	0.727	S	S	*	*			trans	37	137.6	149.9	-78.5	168.1	0	0	0	124.1
234	S	23.9	Very low	28.2	Very low	99 Å²	99	135.5 Å²	135.5	69%	0.692	73%	0.734	S	S	*	*			trans	-69.1	149.4	148	54.8	0	0	0	0	112.8
235	N	26.5	Very low	28.2	Very low	142 Å²	142	136.1 Å²	136.1	76%	0.759	74%	0.738	S	S	*	*			trans	-159.7	153.7	145.5	-123.8	-19.6	0	0	0	115.2
236	H	25.9	Very low	28.1	Very low	164 Å²	164	132.8 Å²	132.8	76%	0.759	74%	0.735	S	S	*	*			trans	20.9	132.4	149.6	-100.9	-86.9	0	0	0	122.8
237	L	25.7	Very low	28.2	Very low	160 Å²	160	131.7 Å²	131.7	84%	0.838	74%	0.74	S	S	*	*			trans	-54	135.7	136.7	-98.2	167.5	0	0	0	109.8
238	Q	23.6	Very low	27.5	Very low	146 Å²	146	134.8 Å²	134.8	68%	0.682	74%	0.744	S	S	*	*				155.3	130.9	128.8	179	164.6	-30.2	0	0	113.9
239	Q	23.9	Very low	27.3	Very low	155 Å²	155	140 Å²	140	72%	0.724	77%	0.766	S	S	*	*			trans	67.5	150.9	159.1	-80	163	-16.2	0	0	118.2
240	L	25.6	Very low	27.1	Very low	153 Å²	153	134.2 Å²	134.2	80%	0.801	77%	0.765	S	S	*	*			cis	-141.4	163.4	13.7	-117.2	138.3	0	0	0	112.9
241	L	34.5	Very low	27	Very low	153 Å²	153	137.8 Å²	137.8	80%	0.801	78%	0.775	S	S	*	*			trans	-62.1	149.9	162.7	-82.2	150.7	0	0	0	111.2
242	P	34.3	Very low	27.1	Very low	125 Å²	125	133.5 Å²	133.5	81%	0.812	78%	0.775	S	S	*	*				-132.9	170.2	82.2	39.2	-28.6	0	0	0	113.5
243	G	25.8	Very low	27	Very low	60 Å²	60	131 Å²	131	62%	0.619	78%	0.781	S	S	*	*			cis	118.6	127	0.3	0	0	0	0	0	113
244	A	28.1	Very low	27.1	Very low	101 Å²	101	128.2 Å²	128.2	84%	0.835	79%	0.788	S	S	*	*			trans	72.2	144.7	179.4	0	0	0	0	0	116.7
245	S	26.5	Very low	27.2	Very low	99 Å²	99	132 Å²	132	69%	0.692	79%	0.794	S	S	*	*			cis	-170.6	157.4	-12.9	45.6	0	0	0	0	113.5
246	S	26.9	Very low	27.9	Very low	109 Å²	109	130 Å²	130	76%	0.762	79%	0.79	S	S	*	*			trans	64.4	144.9	156.2	48.3	0	0	0	0	118.2
247	T	27.9	Very low	28	Very low	137 Å²	137	127.1 Å²	127.1	84%	0.84	78%	0.783	S	S	*	*			cis	-141.9	161.7	37	-58.4	0	0	0	0	113.3
248	Q	27.3	Very low	28	Very low	179 Å²	179	130.1 Å²	130.1	84%	0.836	78%	0.783	S	S	*	*			trans	-109.2	150	-176.2	-60.6	174.8	-61.9	0	0	114.6
249	Q	27.9	Very low	28.9	Very low	203 Å²	203	128.5 Å²	128.5	95%	0.949	79%	0.785	S	S	*	*			trans	-177.4	140.9	141	-99	160.2	-6.6	0	0	106
250	G	26.6	Very low	29.2	Very low	68 Å²	68	131.2 Å²	131.2	70%	0.701	80%	0.795	S	S	*	*			cis	121	111.9	13.4	0	0	0	0	0	107.9
251	I	26.7	Very low	29.3	Very low	170 Å²	170	127.8 Å²	127.8	87%	0.872	80%	0.797	S	S	*	*				-165.7	158.9	63.8	-85.5	159.4	0	0	0	111.1
252	A	29.4	Very low	28.9	Very low	102 Å²	102	129.4 Å²	129.4	84%	0.843	80%	0.797	S	S	*	*			trans	-1.6	153.6	166.4	0	0	0	0	0	122.9
253	G	26.2	Very low	28.5	Very low	81 Å²	81	131.7 Å²	131.7	84%	0.835	80%	0.802	S	S	*	*			cis	156	167.1	-3.4	0	0	0	0	0	113.7
254	G	26.3	Very low	28.5	Very low	86 Å²	86	136 Å²	136	89%	0.887	81%	0.805	S	S	*	*			trans	130.3	110.8	171.8	0	0	0	0	0	115.7
255	E	26.2	Very low	28.3	Very low	179 Å²	179	141.3 Å²	141.3	84%	0.836	81%	0.805	S	S	*	*			trans	-125.8	168.2	164.6	-124.7	-154.2	-137.1	0	0	106.9
256	P	41.3	Very low	28.4	Very low	101 Å²	101	142.7 Å²	142.7	66%	0.656	80%	0.804	S	S	*	*			cis	-151.7	179.8	44	41.8	-20.1	0	0	0	118.9
257	V	27.8	Very low	28.3	Very low	102 Å²	102	142.1 Å²	142.1	62%	0.618	80%	0.8	S	S	*	*			trans	73.4	142.5	141.2	136	0	0	0	0	118.9
258	W	25.6	Very low	28.4	Very low	224 Å²	224	145.8 Å²	145.8	85%	0.848	80%	0.8	S	S	*	*			cis	-158.7	175.7	-3.6	-98.4	135.6	0	0	0	106.7
259	P	42.3	Very low	28.4	Very low	111 Å²	111	145.2 Å²	145.2	72%	0.721	80%	0.802	S	S	*	*			cis	-127.9	-176	-29.6	38.1	-21.1	0	0	0	113.1
260	K	29.4	Very low	28.3	Very low	212 Å²	212	144.1 Å²	144.1	92%	0.922	80%	0.797	S	S	*	*			trans	-107.1	150.2	174.8	-68.8	171.7	-179.5	166.5	0	112
261	G	27.8	Very low	29.1	Very low	82 Å²	82	145.8 Å²	145.8	85%	0.845	80%	0.796	S	S	*	*			trans	-142.6	118.8	164	0	0	0	0	0	111.6
262	K	27.4	Very low	29	Very low	187 Å²	187	144.7 Å²	144.7	81%	0.813	80%	0.797	S	S	*	*			trans	-115.3	150.3	168.2	-84.6	-168.1	174.1	-167.9	0	108.6
263	L	25.6	Very low	28.8	Very low	173 Å²	173	148.7 Å²	148.7	91%	0.906	80%	0.798	S	S	*	*			trans	-159.5	146.6	143.8	-109.1	156.7	0	0	0	110.9
264	H	25.1	Very low	28.8	Very low	150 Å²	150	150.6 Å²	150.6	69%	0.694	80%	0.798	S	S	*	*			trans	-104.8	158	168	-60.7	-106	0	0	0	108.2
265	Y	25	Very low	28.8	Very low	212 Å²	212	152.7 Å²	152.7	83%	0.831	79%	0.789	S	S	*	*				-171.2	-169.7	106.5	-142	-113.4	0	0	0	113.2
266	L	27.4	Very low	28.9	Very low	129 Å²	129	152.9 Å²	152.9	68%	0.675	79%	0.79	S	S	*	*			trans	-109.4	143.3	-162.2	-72.8	134.7	0	0	0	114.8
267	S	24.1	Very low	28.1	Very low	97 Å²	97	152.9 Å²	152.9	68%	0.678	80%	0.798	S	S	*	*				43.2	145.6	123	-146.7	0	0	0	0	123.6
268	Y	31.6	Very low	28.1	Very low	213 Å²	213	154.7 Å²	154.7	84%	0.835	81%	0.805	S	S	*	*			trans	92	141.4	150.1	-97.4	-67.2	0	0	0	123.4
269	L	27.3	Very low	28.7	Very low	168 Å²	168	149.5 Å²	149.5	88%	0.88	80%	0.8	S	S	*	*			trans	98.7	160.7	154.2	-72.5	167.4	0	0	0	121
270	Q	24.3	Very low	27.9	Very low	179 Å²	179	152.3 Å²	152.3	84%	0.836	80%	0.803	S	S	*	*			trans	-127.6	-155.8	-153.5	-155.8	-159	-15.6	0	0	110.8
271	P	44.5	Very low	27.7	Very low	104 Å²	104	150.4 Å²	150.4	68%	0.675	80%	0.801	S	S	*	*				-101.8	167.4	-122.4	40.7	-26.8	0	0	0	116.2
272	T	23.5	Very low	27.6	Very low	146 Å²	146	150.2 Å²	150.2	90%	0.896	79%	0.792	S	S	*	*			trans	-142.9	148.8	166.1	48.1	0	0	0	0	112.9
273	Q	26.3	Very low	27.4	Very low	187 Å²	187	151.4 Å²	151.4	87%	0.874	80%	0.797	S	S	*	*			trans	-91.8	159.3	174.9	-58.9	170.8	-65.7	0	0	112.4
274	S	26	Very low	27.4	Very low	120 Å²	120	146.9 Å²	146.9	84%	0.839	79%	0.793	S	S	*	*			trans	-150.5	159.2	150.1	60.8	0	0	0	0	110.8
275	N	26	Very low	27.3	Very low	130 Å²	130	144.6 Å²	144.6	70%	0.695	79%	0.793	S	S	*	*			trans	-107.5	173.3	-163.9	-70.5	-38.5	0	0	0	114.4
276	H	28.5	Very low	27.3	Very low	184 Å²	184	141.1 Å²	141.1	85%	0.852	79%	0.789	S	S	*	*			trans	82.6	144.2	166.5	-53.1	-75.8	0	0	0	116.1
277	A	25.8	Very low	27.3	Very low	100 Å²	100	141.4 Å²	141.4	83%	0.826	80%	0.797	S	S	*	*			cis	-142.2	164.6	2.4	0	0	0	0	0	112.7
278	D	26.3	Very low	27.4	Very low	141 Å²	141	141.9 Å²	141.9	75%	0.754	81%	0.806	S	S	*	*			trans	-112.8	149.3	169.7	-154.9	-10.2	0	0	0	107.4	Q280	D278-Q280 PolarHBondContact OD1-N 3.19Å
279	P	39.6	Very low	27.3	Very low	115 Å²	115	141.4 Å²	141.4	75%	0.747	81%	0.809	S	S	*	*				-151.7	132	103.9	36.1	-17.6	0	0	0	117.5
280	Q	24.8	Very low	27.8	Very low	169 Å²	169	138.7 Å²	138.7	79%	0.79	80%	0.801	S	S	*	*			trans	40	126.3	132.3	-59.8	-171.4	-3.3	0	0	121.8	D278	D278-Q280 PolarHBondContact OD1-N 3.19Å
281	I	25.6	Very low	27.8	Very low	172 Å²	172	137.9 Å²	137.9	88%	0.882	80%	0.803	S	S	*	*			trans	168.6	145.1	131	-90.7	153.3	0	0	0	107.3
282	A	25	Very low	27.3	Very low	78 Å²	78	139.6 Å²	139.6	65%	0.645	81%	0.805	S	S	*	*			cis	-179.9	138.4	-35.8	0	0	0	0	0	106.2
283	F	23.9	Very low	27.4	Very low	212 Å²	212	139.4 Å²	139.4	93%	0.93	80%	0.799	S	S	*	*			trans	49.4	110.1	157.9	-82.5	-90	0	0	0	123.5
284	G	24	Very low	27.5	Very low	79 Å²	79	140.8 Å²	140.8	81%	0.814	80%	0.796	S	S	*	*			trans	76.6	172.7	137	0	0	0	0	0	119.1
285	S	25	Very low	27.6	Very low	101 Å²	101	141.1 Å²	141.1	71%	0.706	79%	0.787	S	S	*	*			cis	-164.2	166.9	-20.8	61.8	0	0	0	0	111.1
286	N	24.5	Very low	27.6	Very low	139 Å²	139	140.9 Å²	140.9	74%	0.743	79%	0.785	S	S	*	*			trans	65.7	97.7	158	-60.3	-13.1	0	0	0	121
287	T	27.5	Very low	27.4	Very low	136 Å²	136	140.6 Å²	140.6	83%	0.834	78%	0.782	S	S	*	*				31.4	120	121.5	58.1	0	0	0	0	121
288	A	25.1	Very low	27.3	Very low	106 Å²	106	145.1 Å²	145.1	88%	0.876	78%	0.783	S	S	*	*			trans	-147	93.5	152.2	0	0	0	0	0	113.3
289	K	31.1	Very low	27.2	Very low	204 Å²	204	142.9 Å²	142.9	89%	0.887	78%	0.784	S	S	*	*			trans	-103.6	162.1	142.2	-88.5	-170.9	177.4	-176	0	105.9
290	P	37.2	Very low	26.5	Very low	111 Å²	111	141 Å²	141	72%	0.721	79%	0.786	S	S	*	*			cis	-145.2	-177.7	24.7	39.2	-18.1	0	0	0	117.8
291	N	23.8	Very low	27.3	Very low	162 Å²	162	138.5 Å²	138.5	87%	0.866	78%	0.784	S	S	*	*			trans	99.2	155.1	133.6	-110	16.5	0	0	0	122.6
292	L	33.3	Very low	27.3	Very low	140 Å²	140	136.8 Å²	136.8	73%	0.733	78%	0.777	S	S	*	*			trans	-118.5	177.9	-172.8	-150.5	73.7	0	0	0	109.8
293	D	26.5	Very low	27.4	Very low	141 Å²	141	143.5 Å²	143.5	75%	0.754	79%	0.786	S	S	*	*			trans	67.6	123.8	171.5	-50.3	-34.7	0	0	0	115.4
294	R	28.6	Very low	27.5	Very low	217 Å²	217	140.7 Å²	140.7	82%	0.819	78%	0.779	S	S	*	*				-156.3	143.7	58	-88.2	-177.3	139.8	-164.4	-6.2	114.2
295	L	27.1	Very low	27.7	Very low	126 Å²	126	142.6 Å²	142.6	66%	0.66	78%	0.777	S	S	*	*				50.6	150.5	126.7	-45.7	174.1	0	0	0	120.7
296	L	26.5	Very low	27.8	Very low	125 Å²	125	142.4 Å²	142.4	65%	0.654	78%	0.782	S	S	*	*			cis	-167.4	157.7	-15	-108.8	177.9	0	0	0	111
297	F	25.4	Very low	28	Very low	179 Å²	179	145.7 Å²	145.7	79%	0.785	79%	0.789	S	S	*	*			trans	63.9	134.9	152.4	-80.5	-58.2	0	0	0	125.5
298	K	23.3	Very low	28	Very low	195 Å²	195	145.9 Å²	145.9	85%	0.848	79%	0.786	S	S	*	*			trans	89.6	99.6	141.5	-91.4	-175.8	172.5	179.8	0	122.6
299	A	24.4	Very low	28.3	Very low	94 Å²	94	146.6 Å²	146.6	78%	0.777	78%	0.781	S	S	*	*				79.1	60.4	117.2	0	0	0	0	0	122.7
300	G	24.3	Very low	28.2	Very low	76 Å²	76	145 Å²	145	78%	0.784	78%	0.777	S	S	*	*			trans	51.1	-167.7	136.4	0	0	0	0	0	121.7
301	P	41.3	Very low	28.3	Very low	116 Å²	116	144.8 Å²	144.8	75%	0.753	78%	0.777	S	S	*	*			cis	-126.3	157.4	-21.6	39.4	-27	0	0	0	113.6
302	N	25.9	Very low	28.8	Very low	136 Å²	136	144.3 Å²	144.3	73%	0.727	77%	0.774	S	S	*	*			trans	170	134.1	137.6	-99.9	-64.5	0	0	0	113
303	R	25.9	Very low	29.4	Very low	219 Å²	219	143 Å²	143	83%	0.826	77%	0.772	S	S	*	*			trans	46.1	134.4	147.6	-58.9	180	-175	-159.5	-3.5	119.8
304	L	26.4	Very low	30	Very low	152 Å²	152	140.9 Å²	140.9	80%	0.796	76%	0.761	S	S	*	*			cis	-158.4	148.3	-2.6	-101.4	163.2	0	0	0	107.5
305	P	29.5	Very low	30.6	Very low	119 Å²	119	136.2 Å²	136.2	77%	0.773	75%	0.752	S	S	*	*			trans	-91.1	168.5	-178.1	36.5	-34.8	0	0	0	114.2
306	A	26.3	Very low	31.3	Very low	97 Å²	97	136.9 Å²	136.9	80%	0.802	75%	0.751	S	S	*	*			trans	-89.9	174.4	168.8	0	0	0	0	0	112
307	K	29.5	Very low	32	Very low	208 Å²	208	136.3 Å²	136.3	90%	0.904	75%	0.748	S	S	*	*			trans	-77.7	137.6	-170	-64.3	-179.2	175.9	-176.3	0	114.4
308	D	26.3	Very low	33	Very low	141 Å²	141	132.1 Å²	132.1	75%	0.754	73%	0.733	S	S	*	*			trans	-108.9	152.8	150.2	-72.9	-52.7	0	0	0	110
309	P	32.6	Very low	33.8	Very low	120 Å²	120	127.7 Å²	127.7	78%	0.779	72%	0.718	S	S	*	*			trans	-104.4	116.2	166.5	34.4	-24.2	0	0	0	111.1
310	H	27.4	Very low	34.7	Very low	172 Å²	172	128 Å²	128	80%	0.796	71%	0.707	S	S	*	*			trans	-135.3	145.1	173.4	-90.2	-74.3	0	0	0	112.8
311	S	39.6	Very low	35.5	Very low	105 Å²	105	126.8 Å²	126.8	73%	0.734	69%	0.689	S	S	*	*			trans	-65.5	145.2	163.2	52.8	0	0	0	0	111.6
312	L	35.1	Very low	35.7	Very low	153 Å²	153	125.5 Å²	125.5	80%	0.801	68%	0.679	S	S	*	*			trans	-160.3	115.3	148.1	-108.6	161.9	0	0	0	108.7
313	V	44.6	Very low	36.5	Very low	113 Å²	113	123.7 Å²	123.7	69%	0.685	67%	0.669	S	S	*	*			trans	-80.4	129.1	150	174.2	0	0	0	0	104.8	D315 I318	V313-D315 PolarHBondContact O-N 3.06Å; V313-I318 HydrophobicContact CG1-CD1 4.33Å
314	D	40.4	Very low	37.2	Very low	96 Å²	96	117 Å²	117	51%	0.513	65%	0.647	S	S	.	*			trans	-75.1	115.3	-171.9	-164.3	-17.3	0	0	0	110.7	H316 L317	D314-H316 PolarHBondContact O-N 2.88Å; D314-H316 VanDerWaalsContact O-N 3.12Å; D314-H316 WeakPolarHBondContact OD1-CB 3.46Å; D314-H316 PolarHBondContact OD1-N 3.09Å; D314-H316 VanDerWaalsContact OD1-N 3.14Å; D314-L317 HydrophobicContact CB-CB 4.45Å; D314-L317 WeakPolarHBondContact O-CB 3.45Å; D314-L317 PolarHBondContact O-N 3.45Å
315	D	40.6	Very low	38	Very low	118 Å²	118	114.1 Å²	114.1	63%	0.631	63%	0.632	S	S	*	*	H	α-helix	trans	-55.3	-29.3	177.8	-74	-48.1	0	0	0	111.8	V313 L317 I318 L319	V313-D315 PolarHBondContact O-N 3.06Å; D315-L317 VanDerWaalsContact C-N 3.28Å; D315-L317 PolarHBondContact O-N 3.45Å; D315-I318 PolarHBondContact O-N 2.98Å; D315-L319 WeakPolarHBondContact O-CB 3.09Å; D315-L319 PolarHBondContact O-N 2.8Å
316	H	41.4	Very low	38.3	Very low	140 Å²	140	111.9 Å²	111.9	65%	0.648	63%	0.631	S	S	*	*	H	α-helix	trans	-62.6	-32.7	174	-98	-80.8	0	0	0	113.1	D314 N320	D314-H316 PolarHBondContact O-N 2.88Å; D314-H316 VanDerWaalsContact O-N 3.12Å; D314-H316 WeakPolarHBondContact OD1-CB 3.46Å; D314-H316 PolarHBondContact OD1-N 3.09Å; D314-H316 VanDerWaalsContact OD1-N 3.14Å; H316-N320 WeakPolarHBondContact O-CB 3.44Å; H316-N320 PolarHBondContact O-N 3.49Å
317	L	42.6	Very low	39.1	Very low	113 Å²	113	117.2 Å²	117.2	59%	0.592	63%	0.63	S	S	*	*	H	α-helix	trans	-70.2	-43	-179.3	-166.7	153.5	0	0	0	110.6	D314 D315 A321	D314-L317 HydrophobicContact CB-CB 4.45Å; D314-L317 WeakPolarHBondContact O-CB 3.45Å; D314-L317 PolarHBondContact O-N 3.45Å; D315-L317 VanDerWaalsContact C-N 3.28Å; D315-L317 PolarHBondContact O-N 3.45Å; L317-A321 WeakPolarHBondContact O-CB 3.26Å; L317-A321 PolarHBondContact O-N 3.41Å; L317-A321 VanDerWaalsContact O-N 3.07Å
318	I	46.7	Very low	39.6	Very low	91 Å²	91	112.4 Å²	112.4	47%	0.467	61%	0.611	S	S	.	*	H	α-helix	trans	-63.6	-49.2	174.1	-58.4	175.5	0	0	0	110	V313 D315 N320 A321 V322	V313-I318 HydrophobicContact CG1-CD1 4.33Å; D315-I318 PolarHBondContact O-N 2.98Å; I318-N320 VanDerWaalsContact C-N 3.3Å; I318-N320 PolarHBondContact O-N 3.47Å; I318-A321 PolarHBondContact O-N 3.04Å; I318-V322 WeakPolarHBondContact O-CG2 3.39Å; I318-V322 PolarHBondContact O-N 3.43Å
319	L	39.6	Very low	40.4	Very low	102 Å²	102	111.8 Å²	111.8	53%	0.534	62%	0.618	S	S	.	*	H	α-helix	trans	-64.1	-34	-177.5	-166.4	68.9	0	0	0	112.5	D315 N323	D315-L319 WeakPolarHBondContact O-CB 3.09Å; D315-L319 PolarHBondContact O-N 2.8Å; L319-N323 WeakPolarHBondContact O-CB 3.5Å; L319-N323 PolarHBondContact O-N 2.86Å; L319-N323 VanDerWaalsContact O-N 3.1Å; L319-N323 PolarHBondContact O-ND2 3.39Å
320	N	42.1	Very low	40.8	Very low	102 Å²	102	110.8 Å²	110.8	55%	0.545	61%	0.605	S	S	.	*	H	α-helix	trans	-75.2	-38.8	177.3	-149.9	6.1	0	0	0	111.5	H316 I318 N323 Q324	H316-N320 WeakPolarHBondContact O-CB 3.44Å; H316-N320 PolarHBondContact O-N 3.49Å; I318-N320 VanDerWaalsContact C-N 3.3Å; I318-N320 PolarHBondContact O-N 3.47Å; N320-N323 PolarHBondContact O-N 3.15Å; N320-Q324 WeakPolarHBondContact O-CG 3.16Å; N320-Q324 PolarHBondContact O-N 3.08Å
321	A	42.6	Very low	41.5	Very low	49 Å²	49	107.8 Å²	107.8	41%	0.405	60%	0.595	S	S	.	*	H	α-helix	trans	-61	-44.7	173.5	0	0	0	0	0	112.3	L317 I318 Q324 L325	L317-A321 WeakPolarHBondContact O-CB 3.26Å; L317-A321 PolarHBondContact O-N 3.41Å; L317-A321 VanDerWaalsContact O-N 3.07Å; I318-A321 PolarHBondContact O-N 3.04Å; A321-Q324 PolarHBondContact O-N 3.49Å; A321-L325 PolarHBondContact O-N 3.14Å
322	V	45.8	Very low	41.7	Very low	90 Å²	90	110.3 Å²	110.3	55%	0.545	60%	0.597	S	S	.	*	H	α-helix	trans	-63.8	-40.7	175.8	173.2	0	0	0	0	111.7	I318 Q324 L325 G326	I318-V322 WeakPolarHBondContact O-CG2 3.39Å; I318-V322 PolarHBondContact O-N 3.43Å; V322-Q324 VanDerWaalsContact C-N 3.34Å; V322-Q324 PolarHBondContact O-N 3.32Å; V322-L325 PolarHBondContact O-N 3.34Å; V322-G326 PolarHBondContact O-N 3.46Å
323	N	41.8	Very low	42.1	Very low	97 Å²	97	111.2 Å²	111.2	52%	0.519	60%	0.597	S	S	.	*	H	α-helix	trans	-68.4	-27.9	176.3	-85.4	-59	0	0	0	114	L319 N320	L319-N323 WeakPolarHBondContact O-CB 3.5Å; L319-N323 PolarHBondContact O-N 2.86Å; L319-N323 VanDerWaalsContact O-N 3.1Å; L319-N323 PolarHBondContact O-ND2 3.39Å; N320-N323 PolarHBondContact O-N 3.15Å
324	Q	41	Very low	42.2	Very low	78 Å²	78	109.7 Å²	109.7	36%	0.364	60%	0.596	S	S	.	*	H	α-helix	trans	-73.2	-46.6	172.8	-67.2	-86.7	9.5	0	0	110.7	N320 A321 V322 G326 R327 F433	N320-Q324 WeakPolarHBondContact O-CG 3.16Å; N320-Q324 PolarHBondContact O-N 3.08Å; A321-Q324 PolarHBondContact O-N 3.49Å; V322-Q324 VanDerWaalsContact C-N 3.34Å; V322-Q324 PolarHBondContact O-N 3.32Å; Q324-G326 VanDerWaalsContact C-N 3.32Å; Q324-G326 PolarHBondContact O-N 2.63Å; Q324-R327 PolarHBondContact O-N 2.75Å; Q324-R327 VanDerWaalsContact O-N 3.16Å; Q324-F433 HydrophobicContact CB-CE2 3.8Å; Q324-F433 HydrophobicContact CB-CZ 4.18Å; Q324-F433 HydrophobicContact CG-CE2 4.44Å
325	L	42.6	Very low	42.5	Very low	93 Å²	93	109.2 Å²	109.2	49%	0.487	59%	0.593	S	S	.	*	H	α-helix	trans	-58.6	-41.9	175.7	-76.7	164.5	0	0	0	112	A321 V322 R327 H328	A321-L325 PolarHBondContact O-N 3.14Å; V322-L325 PolarHBondContact O-N 3.34Å; L325-R327 PolarHBondContact O-N 2.74Å; L325-H328 PolarHBondContact O-N 2.79Å; L325-H328 VanDerWaalsContact O-N 3.08Å; L325-H328 VanDerWaalsContact O-O 3.13Å
326	G	36.3	Very low	42.6	Very low	72 Å²	72	111.3 Å²	111.3	74%	0.742	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.5	-6.6	177.6	0	0	0	0	0	115.9	V322 Q324	V322-G326 PolarHBondContact O-N 3.46Å; Q324-G326 VanDerWaalsContact C-N 3.32Å; Q324-G326 PolarHBondContact O-N 2.63Å
327	R	42.9	Very low	43.5	Very low	209 Å²	209	106.8 Å²	106.8	79%	0.789	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	-16.5	174.8	-67.5	-178.3	175.8	-156.8	-2.2	114.3	Q324 L325	Q324-R327 PolarHBondContact O-N 2.75Å; Q324-R327 VanDerWaalsContact O-N 3.16Å; L325-R327 PolarHBondContact O-N 2.74Å
328	H	39.9	Very low	43.7	Very low	106 Å²	106	109.7 Å²	109.7	49%	0.491	60%	0.6	S	S	.	*	S	Bend	trans	-109.5	109.5	172.5	-74	-95.5	0	0	0	108.7	L325 L330	L325-H328 PolarHBondContact O-N 2.79Å; L325-H328 VanDerWaalsContact O-N 3.08Å; L325-H328 VanDerWaalsContact O-O 3.13Å; H328-L330 VanDerWaalsContact C-N 3.25Å; H328-L330 PolarHBondContact O-N 3.45Å
329	S	42.8	Very low	43.7	Very low	129 Å²	129	109.4 Å²	109.4	90%	0.902	60%	0.6	S	S	*	*			trans	-73.4	71.9	-171.9	58.2	0	0	0	0	112.9
330	L	41.4	Very low	44.4	Very low	99 Å²	99	109.2 Å²	109.2	52%	0.518	60%	0.599	S	S	.	*			trans	-79.5	128.3	175	-66.4	169.9	0	0	0	110.2	H328 M332 L440	H328-L330 VanDerWaalsContact C-N 3.25Å; H328-L330 PolarHBondContact O-N 3.45Å; L330-M332 PolarHBondContact O-N 2.84Å; L330-L440 HydrophobicContact CD1-CD1 4.21Å; L330-L440 HydrophobicContact CD1-CD2 4.4Å
331	N	42.6	Very low	44.6	Very low	109 Å²	109	109.9 Å²	109.9	58%	0.583	60%	0.602	S	S	*	*			trans	-80.7	102.9	176.7	-173.8	0.8	0	0	0	110.8	E333 A334	N331-E333 PolarHBondContact O-N 3.07Å; N331-E333 WeakPolarHBondContact OD1-CB 3.45Å; N331-E333 PolarHBondContact OD1-N 3.38Å; N331-E333 VanDerWaalsContact OD1-N 3.08Å; N331-A334 PolarHBondContact O-N 3.03Å
332	M	43.2	Very low	44.7	Very low	157 Å²	157	112.6 Å²	112.6	77%	0.773	61%	0.606	S	S	*	*	G	3₁₀ helix	trans	-69.8	-10.9	-178.8	-61.9	-156.4	-62.6	0	0	114.4	L330 A334 L335	L330-M332 PolarHBondContact O-N 2.84Å; M332-A334 PolarHBondContact O-N 3.47Å; M332-L335 PolarHBondContact O-N 3.3Å
333	E	43.9	Very low	44.9	Very low	173 Å²	173	112.4 Å²	112.4	81%	0.808	60%	0.602	S	S	*	*	G	3₁₀ helix	trans	-69.8	-8.1	176.1	-60.3	-175.7	146.6	0	0	113.6	N331	N331-E333 PolarHBondContact O-N 3.07Å; N331-E333 WeakPolarHBondContact OD1-CB 3.45Å; N331-E333 PolarHBondContact OD1-N 3.38Å; N331-E333 VanDerWaalsContact OD1-N 3.08Å
334	A	46.6	Very low	45.3	Very low	80 Å²	80	110.1 Å²	110.1	66%	0.661	60%	0.597	S	S	*	*	G	3₁₀ helix	trans	-91.3	-14.6	180	0	0	0	0	0	114.9	N331 M332	N331-A334 PolarHBondContact O-N 3.03Å; M332-A334 PolarHBondContact O-N 3.47Å
335	L	45.5	Very low	45.7	Very low	86 Å²	86	112.9 Å²	112.9	45%	0.45	61%	0.609	S	S	.	*			trans	-97.2	114.9	-174.9	-72.2	163.3	0	0	0	110.6	M332 D339	M332-L335 PolarHBondContact O-N 3.3Å; L335-D339 HydrophobicContact CD2-CB 3.59Å
336	M	44.3	Very low	46.1	Very low	162 Å²	162	112.4 Å²	112.4	80%	0.798	61%	0.61	S	S	*	*			trans	-139.8	112.2	-172.9	-85.5	-72.3	-73.8	0	0	112.6
337	G	60.1	Low	46.7	Very low	45 Å²	45	113.3 Å²	113.3	46%	0.464	60%	0.597	S	S	.	*	S	Bend	trans	82.4	-113.8	176.9	0	0	0	0	0	112.4	D339 L340	G337-D339 PolarHBondContact O-N 2.83Å; G337-L340 PolarHBondContact O-N 2.95Å
338	K	45.6	Very low	47.2	Very low	174 Å²	174	107.3 Å²	107.3	76%	0.757	58%	0.584	S	S	*	*	H	α-helix	trans	-57.6	-28.4	-164	-65.1	-173.8	175.4	-172.8	0	115	L340 D341 H342	K338-L340 VanDerWaalsContact C-N 3.26Å; K338-L340 PolarHBondContact O-N 3.41Å; K338-D341 PolarHBondContact O-N 3.43Å; K338-H342 WeakPolarHBondContact O-CB 3.42Å; K338-H342 PolarHBondContact O-N 3.03Å
339	D	47.7	Very low	47.5	Very low	85 Å²	85	103.9 Å²	103.9	46%	0.455	58%	0.577	S	S	.	*	H	α-helix	trans	-68.7	-28.2	-177.6	-45	-48.7	0	0	0	111.6	L335 G337 L343	L335-D339 HydrophobicContact CD2-CB 3.59Å; G337-D339 PolarHBondContact O-N 2.83Å; D339-L343 WeakPolarHBondContact O-CB 3.43Å; D339-L343 PolarHBondContact O-N 2.89Å
340	L	53.3	Low	47.6	Very low	99 Å²	99	100.4 Å²	100.4	52%	0.518	56%	0.557	S	S	.	*	H	α-helix	trans	-75.1	-40.2	173.7	-85	157.5	0	0	0	112.1	G337 K338 L343 A344	G337-L340 PolarHBondContact O-N 2.95Å; K338-L340 VanDerWaalsContact C-N 3.26Å; K338-L340 PolarHBondContact O-N 3.41Å; L340-L343 PolarHBondContact O-N 3.35Å; L340-A344 WeakPolarHBondContact O-CB 3.26Å; L340-A344 PolarHBondContact O-N 3.49Å
341	D	47.1	Very low	47.5	Very low	115 Å²	115	101.5 Å²	101.5	62%	0.615	56%	0.562	S	S	*	*	H	α-helix	trans	-62.2	-46.1	175	-59.3	-42.5	0	0	0	110.2	K338 L343 A344 E345	K338-D341 PolarHBondContact O-N 3.43Å; D341-L343 PolarHBondContact O-N 2.99Å; D341-A344 PolarHBondContact O-N 3.5Å; D341-E345 PolarHBondContact O-N 3.39Å
342	H	44.8	Very low	47.6	Very low	107 Å²	107	102.9 Å²	102.9	50%	0.495	57%	0.565	S	S	.	*	H	α-helix	trans	-68.9	-34.5	179.9	-156.8	-10	0	0	0	112.5	K338 E345 V346	K338-H342 WeakPolarHBondContact O-CB 3.42Å; K338-H342 PolarHBondContact O-N 3.03Å; H342-E345 IonicContact ND1-OE2 2.76Å; H342-E345 PolarHBondContact O-N 2.86Å; H342-V346 WeakPolarHBondContact O-CG2 3.34Å; H342-V346 PolarHBondContact O-N 3.33Å
343	L	49.3	Very low	47.5	Very low	85 Å²	85	102.5 Å²	102.5	45%	0.445	56%	0.562	S	S	.	*	H	α-helix	trans	-64.6	-42.3	172.3	-177.6	68	0	0	0	111.5	D339 L340 D341 E345 V346 I347	D339-L343 WeakPolarHBondContact O-CB 3.43Å; D339-L343 PolarHBondContact O-N 2.89Å; L340-L343 PolarHBondContact O-N 3.35Å; D341-L343 PolarHBondContact O-N 2.99Å; L343-E345 VanDerWaalsContact C-N 3.35Å; L343-V346 PolarHBondContact O-N 2.93Å; L343-I347 HydrophobicContact CD1-CD1 4.4Å; L343-I347 HydrophobicContact CG-CD1 4.03Å; L343-I347 VanDerWaalsContact O-CG1 3.28Å; L343-I347 WeakPolarHBondContact O-CG1 3.33Å; L343-I347 PolarHBondContact O-N 3.18Å
344	A	49.8	Very low	47.5	Very low	50 Å²	50	99.1 Å²	99.1	41%	0.413	55%	0.552	S	S	.	*	H	α-helix	trans	-62.5	-42.1	174.8	0	0	0	0	0	111.6	L340 D341 V346 I347 T348	L340-A344 WeakPolarHBondContact O-CB 3.26Å; L340-A344 PolarHBondContact O-N 3.49Å; D341-A344 PolarHBondContact O-N 3.5Å; A344-V346 PolarHBondContact O-N 2.72Å; A344-I347 PolarHBondContact O-N 3.44Å; A344-T348 PolarHBondContact O-N 3.49Å; A344-T348 PolarHBondContact O-OG1 2.9Å
345	E	49.9	Very low	47	Very low	135 Å²	135	100.4 Å²	100.4	63%	0.631	55%	0.548	S	S	*	.	H	α-helix	trans	-61.9	-42.5	177.2	-162	171.2	-127.9	0	0	112.2	D341 H342 L343 T348 G349	D341-E345 PolarHBondContact O-N 3.39Å; H342-E345 IonicContact ND1-OE2 2.76Å; H342-E345 PolarHBondContact O-N 2.86Å; L343-E345 VanDerWaalsContact C-N 3.35Å; E345-T348 PolarHBondContact O-N 3.5Å; E345-G349 PolarHBondContact O-N 3.12Å
346	V	50.4	Low	46.6	Very low	84 Å²	84	104.1 Å²	104.1	51%	0.509	56%	0.563	S	S	.	*	H	α-helix	trans	-65.1	-41	174.2	170.1	0	0	0	0	112	H342 L343 A344 G349 A350	H342-V346 WeakPolarHBondContact O-CG2 3.34Å; H342-V346 PolarHBondContact O-N 3.33Å; L343-V346 PolarHBondContact O-N 2.93Å; A344-V346 PolarHBondContact O-N 2.72Å; V346-G349 PolarHBondContact O-N 3.3Å; V346-A350 WeakPolarHBondContact O-CB 3.43Å; V346-A350 PolarHBondContact O-N 3.08Å
347	I	48.8	Very low	46.2	Very low	91 Å²	91	104.7 Å²	104.7	47%	0.467	56%	0.564	S	S	.	*	H	α-helix	trans	-64.4	-41.9	175.5	-70.3	165.7	0	0	0	110.8	L343 A344 A350 L351	L343-I347 HydrophobicContact CD1-CD1 4.4Å; L343-I347 HydrophobicContact CG-CD1 4.03Å; L343-I347 VanDerWaalsContact O-CG1 3.28Å; L343-I347 WeakPolarHBondContact O-CG1 3.33Å; L343-I347 PolarHBondContact O-N 3.18Å; A344-I347 PolarHBondContact O-N 3.44Å; I347-A350 PolarHBondContact O-N 3.2Å; I347-L351 HydrophobicContact CG2-CD1 4.12Å; I347-L351 WeakPolarHBondContact O-CG 3.21Å; I347-L351 PolarHBondContact O-N 3.2Å; I347-L351 VanDerWaalsContact O-N 3.12Å
348	T	54.4	Low	45.1	Very low	82 Å²	82	112 Å²	112	50%	0.503	58%	0.578	S	S	.	*	H	α-helix	trans	-64.1	-45.7	176.9	-58.6	0	0	0	0	111.5	A344 E345 A350 L351 Q352	A344-T348 PolarHBondContact O-N 3.49Å; A344-T348 PolarHBondContact O-OG1 2.9Å; E345-T348 PolarHBondContact O-N 3.5Å; T348-A350 PolarHBondContact O-N 2.97Å; T348-L351 PolarHBondContact O-N 3.13Å; T348-Q352 WeakPolarHBondContact O-CB 3.44Å; T348-Q352 PolarHBondContact O-N 3.49Å
349	G	45.1	Very low	44.3	Very low	35 Å²	35	111.2 Å²	111.2	36%	0.361	58%	0.581	S	S	.	*	H	α-helix	trans	-60.3	-43.1	175.8	0	0	0	0	0	113.1	E345 V346 L351 Q352 E353	E345-G349 PolarHBondContact O-N 3.12Å; V346-G349 PolarHBondContact O-N 3.3Å; G349-L351 VanDerWaalsContact C-N 3.26Å; G349-L351 PolarHBondContact O-N 3.41Å; G349-Q352 PolarHBondContact O-N 3.09Å; G349-E353 PolarHBondContact O-N 2.92Å
350	A	45.5	Very low	43.5	Very low	56 Å²	56	112.5 Å²	112.5	46%	0.463	59%	0.592	S	S	.	*	H	α-helix	trans	-66.8	-23.1	177.5	0	0	0	0	0	114	V346 I347 T348	V346-A350 WeakPolarHBondContact O-CB 3.43Å; V346-A350 PolarHBondContact O-N 3.08Å; I347-A350 PolarHBondContact O-N 3.2Å; T348-A350 PolarHBondContact O-N 2.97Å
351	L	39.5	Very low	42.3	Very low	121 Å²	121	119.3 Å²	119.3	63%	0.634	61%	0.612	S	S	*	*	H	α-helix	trans	-81.2	-28.5	170.3	-71.5	166.6	0	0	0	112.1	I347 T348 G349 V354	I347-L351 HydrophobicContact CG2-CD1 4.12Å; I347-L351 WeakPolarHBondContact O-CG 3.21Å; I347-L351 PolarHBondContact O-N 3.2Å; I347-L351 VanDerWaalsContact O-N 3.12Å; T348-L351 PolarHBondContact O-N 3.13Å; G349-L351 VanDerWaalsContact C-N 3.26Å; G349-L351 PolarHBondContact O-N 3.41Å; L351-V354 PolarHBondContact O-N 3.24Å
352	Q	44.7	Very low	41.3	Very low	138 Å²	138	117.2 Å²	117.2	65%	0.645	62%	0.618	S	S	*	*	H	α-helix	trans	-78.9	-33.3	-174.1	-155.8	160.2	11	0	0	113	T348 G349 V354 D355	T348-Q352 WeakPolarHBondContact O-CB 3.44Å; T348-Q352 PolarHBondContact O-N 3.49Å; G349-Q352 PolarHBondContact O-N 3.09Å; Q352-V354 PolarHBondContact O-N 2.94Å; Q352-D355 PolarHBondContact O-N 3.27Å
353	E	41.5	Very low	40.6	Very low	150 Å²	150	118.9 Å²	118.9	70%	0.701	64%	0.635	S	S	*	*	H	α-helix	trans	-62.7	-19.4	170.6	-72.1	-169.2	146.3	0	0	113.3	G349	G349-E353 PolarHBondContact O-N 2.92Å
354	V	44	Very low	39.5	Very low	101 Å²	101	122.5 Å²	122.5	61%	0.612	65%	0.65	S	S	*	*	H	α-helix	trans	-82.7	-19.2	-176.1	179.2	0	0	0	0	113.2	L351 Q352	L351-V354 PolarHBondContact O-N 3.24Å; Q352-V354 PolarHBondContact O-N 2.94Å
355	D	35.5	Very low	38.6	Very low	108 Å²	108	126.3 Å²	126.3	58%	0.578	67%	0.67	S	S	*	*	H	α-helix	trans	-98.5	-23.5	-177.8	-119.6	3.3	0	0	0	113.7	Q352 R358	Q352-D355 PolarHBondContact O-N 3.27Å; D355-R358 WeakPolarHBondContact O-CB 3.48Å; D355-R358 PolarHBondContact O-N 3.39Å
356	E	38.3	Very low	37.5	Very low	163 Å²	163	124.6 Å²	124.6	76%	0.762	67%	0.669	S	S	*	*	H	α-helix	trans	-72.4	-31.6	178.4	-72.7	-147	137.8	0	0	114	R358	E356-R358 PolarHBondContact O-N 3.32Å
357	E	35.9	Very low	37	Very low	175 Å²	175	126.7 Å²	126.7	82%	0.818	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	-3.5	173.3	-76.6	-156	142.2	0	0	113.6
358	R	35.6	Very low	35.9	Very low	199 Å²	199	126.2 Å²	126.2	75%	0.751	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.2	-3.3	-173.1	-128.8	174	-172.6	169.3	3.3	115.6	D355 E356	D355-R358 WeakPolarHBondContact O-CB 3.48Å; D355-R358 PolarHBondContact O-N 3.39Å; E356-R358 PolarHBondContact O-N 3.32Å
359	L	29.6	Very low	34.7	Very low	156 Å²	156	127.8 Å²	127.8	82%	0.817	72%	0.723	S	S	*	*	S	Bend	trans	-111.9	11.6	-171.6	-82.5	169.4	0	0	0	115.9
360	T	31.1	Very low	33.8	Very low	112 Å²	112	129.3 Å²	129.3	69%	0.687	74%	0.739	S	S	*	*			trans	-122.3	45.3	-172.4	48.3	0	0	0	0	115.6
361	Y	27.8	Very low	32.9	Very low	242 Å²	242	134.7 Å²	134.7	95%	0.949	76%	0.76	S	S	*	*			trans	-145.1	109.8	160.4	-101	-73.4	0	0	0	113.3
362	G	26.7	Very low	32.3	Very low	71 Å²	71	136.3 Å²	136.3	73%	0.732	77%	0.769	S	S	*	*			trans	152.1	112.1	164	0	0	0	0	0	116.6
363	V	28.8	Very low	32.8	Very low	142 Å²	142	134.3 Å²	134.3	86%	0.861	77%	0.768	S	S	*	*			trans	109.9	98.4	161.1	-177.2	0	0	0	0	115.7
364	E	27	Very low	32.2	Very low	162 Å²	162	137.9 Å²	137.9	76%	0.757	78%	0.775	S	S	*	*			trans	-83.6	156.2	147.8	-76.5	-166	129.4	0	0	110.3	V366	E364-V366 HydrophobicContact CB-CG2 4.28Å; E364-V366 VanDerWaalsContact CD-CG2 3.49Å; E364-V366 HydrophobicContact CG-CG2 4.37Å; E364-V366 WeakPolarHBondContact OE1-CG2 3.38Å
365	P	30	Very low	31.4	Very low	129 Å²	129	136.4 Å²	136.4	84%	0.838	78%	0.781	S	S	*	*				-133.6	161.9	108.5	37.6	-29.6	0	0	0	115.1
366	V	27.8	Very low	31	Very low	100 Å²	100	137.9 Å²	137.9	61%	0.606	78%	0.784	S	S	*	*			trans	-128.9	158.9	-167.2	177.1	0	0	0	0	108.9	E364	E364-V366 HydrophobicContact CB-CG2 4.28Å; E364-V366 VanDerWaalsContact CD-CG2 3.49Å; E364-V366 HydrophobicContact CG-CG2 4.37Å; E364-V366 WeakPolarHBondContact OE1-CG2 3.38Å
367	P	38.7	Very low	30.7	Very low	127 Å²	127	136.5 Å²	136.5	83%	0.825	78%	0.779	S	S	*	*			cis	-122.6	-179.8	-25	36.1	-20.6	0	0	0	113.4
368	G	27	Very low	30.4	Very low	82 Å²	82	138.1 Å²	138.1	85%	0.845	78%	0.778	S	S	*	*			trans	-178.4	131.7	160.2	0	0	0	0	0	113.1
369	A	28.3	Very low	30.1	Very low	114 Å²	114	134.2 Å²	134.2	94%	0.942	78%	0.776	S	S	*	*			trans	-115.8	153.9	-174.8	0	0	0	0	0	112.8
370	G	26.2	Very low	30.2	Very low	67 Å²	67	133.3 Å²	133.3	69%	0.691	77%	0.772	S	S	*	*			trans	156.9	106.7	166.4	0	0	0	0	0	116.3
371	D	27.3	Very low	30.2	Very low	169 Å²	169	135.5 Å²	135.5	90%	0.904	78%	0.775	S	S	*	*			trans	60	102.7	143.3	-54.4	-15.4	0	0	0	122.5
372	D	27.3	Very low	30.1	Very low	155 Å²	155	132.6 Å²	132.6	83%	0.829	77%	0.77	S	S	*	*			trans	-71.9	-168.5	150.4	-147.1	13.3	0	0	0	109.9
373	P	54.2	Low	30	Very low	97 Å²	97	138.6 Å²	138.6	63%	0.63	78%	0.775	S	S	*	*			cis	-135	172.8	-18.3	41	-25.4	0	0	0	115.7
374	R	29	Very low	30.4	Very low	224 Å²	224	137.5 Å²	137.5	85%	0.845	77%	0.771	S	S	*	*			trans	166.3	128.5	138.1	-92.3	165	-159.7	-98	6.4	109.3
375	G	26.8	Very low	30.4	Very low	71 Å²	71	134.5 Å²	134.5	73%	0.732	77%	0.774	S	S	*	*			cis	147.7	167.7	3.3	0	0	0	0	0	110.9
376	E	28.1	Very low	30.2	Very low	138 Å²	138	131.6 Å²	131.6	65%	0.645	77%	0.768	S	S	*	*			cis	-157.5	151.7	-2.9	-57.1	-177.2	30.4	0	0	110.1
377	M	31.6	Very low	30.1	Very low	135 Å²	135	135 Å²	135	67%	0.665	78%	0.779	S	S	*	*			trans	72.3	154.1	147.5	-73.8	176.9	-173	0	0	120.4
378	R	29	Very low	29.4	Very low	208 Å²	208	135.5 Å²	135.5	79%	0.785	77%	0.774	S	S	*	*			cis	-161.4	173.1	5.9	-108.2	157.8	-151.7	-126.2	3.1	107.7
379	V	30.4	Very low	29.4	Very low	117 Å²	117	138.2 Å²	138.2	71%	0.709	77%	0.768	S	S	*	*			cis	171.2	167.7	-32.9	136.4	0	0	0	0	109
380	N	30.9	Very low	29.3	Very low	138 Å²	138	138.4 Å²	138.4	74%	0.738	75%	0.754	S	S	*	*			trans	80.8	146.2	174	-71.5	-2.7	0	0	0	118.7
381	Q	31.9	Very low	29.3	Very low	158 Å²	158	142.3 Å²	142.3	74%	0.738	75%	0.754	S	S	*	*			cis	-168	168.3	-26.9	-155.2	173.2	-17.5	0	0	111.4
382	E	26.2	Very low	29.3	Very low	181 Å²	181	139.3 Å²	139.3	85%	0.846	74%	0.738	S	S	*	*			trans	108.5	171.8	154.8	-53.6	-135	111.3	0	0	120.6
383	K	23.8	Very low	29.5	Very low	196 Å²	196	139.6 Å²	139.6	85%	0.852	74%	0.735	S	S	*	*			trans	-138.6	-177.1	-154.7	-111.4	179.1	-178	179.2	0	110.4
384	P	36.5	Very low	28.2	Very low	120 Å²	120	141.3 Å²	141.3	78%	0.779	74%	0.738	S	S	*	*			cis	-129.1	157.9	24.5	28.6	-4.5	0	0	0	115.8
385	A	27.5	Very low	28.2	Very low	98 Å²	98	137 Å²	137	81%	0.81	73%	0.732	S	S	*	*				75.2	138	68	0	0	0	0	0	116.5
386	G	25.3	Very low	28.5	Very low	69 Å²	69	143.1 Å²	143.1	71%	0.711	74%	0.738	S	S	*	*			cis	163.4	173.2	-8.5	0	0	0	0	0	115.5
387	M	26.1	Very low	28.9	Very low	172 Å²	172	141.3 Å²	141.3	85%	0.847	74%	0.741	S	S	*	*			trans	64.6	155	166.7	-61.4	172.9	60.7	0	0	118
388	L	25.1	Very low	28.9	Very low	137 Å²	137	141.7 Å²	141.7	72%	0.717	75%	0.745	S	S	*	*			cis	-133	152.9	10.9	-89	97.3	0	0	0	110.5
389	L	25.3	Very low	29.4	Very low	138 Å²	138	140.8 Å²	140.8	72%	0.723	75%	0.75	S	S	*	*				48.6	138.6	88.3	-58.2	163.4	0	0	0	115.3
390	N	27.2	Very low	29.6	Very low	119 Å²	119	138.3 Å²	138.3	64%	0.636	75%	0.748	S	S	*	*			cis	-164.1	157.8	8.7	-141.9	20.6	0	0	0	115.7
391	Q	26.7	Very low	29.6	Very low	148 Å²	148	140.7 Å²	140.7	69%	0.692	76%	0.76	S	S	*	*			trans	38	133.4	144.1	-73.1	-175	-90	0	0	127.8
392	D	27.6	Very low	29.8	Very low	106 Å²	106	139 Å²	139	57%	0.567	76%	0.756	S	S	*	*				70.6	119.2	129.1	-68.4	-57.2	0	0	0	127.6
393	Q	29.6	Very low	31	Very low	162 Å²	162	136.3 Å²	136.3	76%	0.757	75%	0.754	S	S	*	*				72.6	146	127.1	-68.3	173.9	61.3	0	0	126.8
394	D	27.5	Very low	31.4	Very low	132 Å²	132	133.1 Å²	133.1	71%	0.706	75%	0.746	S	S	*	*			trans	80.9	109.9	148.6	-75.4	-6.3	0	0	0	128
395	L	30.3	Very low	32.3	Very low	135 Å²	135	132.5 Å²	132.5	71%	0.707	74%	0.742	S	S	*	*				40.7	119.5	122	-71.2	164.3	0	0	0	125.4
396	K	32.7	Very low	32.7	Very low	198 Å²	198	136.2 Å²	136.2	86%	0.861	74%	0.74	S	S	*	*			trans	61.4	161.7	142.8	-67.3	-179	178.5	-179.7	0	118.7
397	S	35.7	Very low	33.1	Very low	101 Å²	101	139.4 Å²	139.4	71%	0.706	74%	0.737	S	S	*	*			cis	-140.4	-171	-9.2	41.2	0	0	0	0	108.3
398	D	32.3	Very low	33.4	Very low	143 Å²	143	135.4 Å²	135.4	77%	0.765	72%	0.722	S	S	*	*			cis	-175.6	-175.6	47.1	-140.7	-32.7	0	0	0	113.8
399	E	39.1	Very low	33.8	Very low	189 Å²	189	135.9 Å²	135.9	88%	0.883	72%	0.724	S	S	*	*			trans	-73.3	173.3	-179.6	-59	-169.1	141.9	0	0	115.1
400	G	34.7	Very low	34	Very low	65 Å²	65	135 Å²	135	67%	0.67	72%	0.724	S	S	*	*			cis	144.4	155.6	-1.8	0	0	0	0	0	112
401	L	31.4	Very low	34.2	Very low	188 Å²	188	136.5 Å²	136.5	98%	0.984	73%	0.732	S	S	*	*			trans	-174.9	-176.9	153.6	-127.3	71.7	0	0	0	115.6
402	N	36.4	Very low	34.4	Very low	122 Å²	122	138 Å²	138	65%	0.652	74%	0.736	S	S	*	*			trans	-134.8	173.9	-156.5	-150.5	-16.6	0	0	0	112.2	N404	N402-N404 PolarHBondContact OD1-N 3.09Å
403	P	50.8	Low	34.1	Very low	124 Å²	124	141.4 Å²	141.4	81%	0.805	75%	0.749	S	S	*	*				-147.2	155.3	83.4	37.5	-18.9	0	0	0	117.1
404	N	31.2	Very low	34.5	Very low	130 Å²	130	139.5 Å²	139.5	70%	0.695	75%	0.75	S	S	*	*			trans	-140	116	-167.2	165.3	54.7	0	0	0	115.9	N402	N402-N404 PolarHBondContact OD1-N 3.09Å
405	P	57	Low	34.3	Very low	106 Å²	106	136.7 Å²	136.7	69%	0.688	75%	0.753	S	S	*	*			trans	-114.9	163.3	153.8	38.2	-28	0	0	0	111.2
406	K	34.5	Very low	34	Very low	177 Å²	177	139.3 Å²	139.3	77%	0.77	76%	0.761	S	S	*	*			cis	-175.4	164.9	-3.3	-110.9	-166.1	176.9	-137.3	0	105.5
407	E	34.6	Very low	33.6	Very low	136 Å²	136	137.9 Å²	137.9	64%	0.636	76%	0.758	S	S	*	*			cis	-172.3	176.2	-15.6	-134.1	-165.5	-64.9	0	0	105.6
408	T	32.2	Very low	33.2	Very low	88 Å²	88	139.1 Å²	139.1	54%	0.54	76%	0.755	S	S	.	*			cis	-166.9	164.2	0.6	-156.8	0	0	0	0	111.2
409	L	33.4	Very low	33	Very low	147 Å²	147	139.2 Å²	139.2	77%	0.77	76%	0.756	S	S	*	*			trans	53.5	145	162.1	-53.9	-179.9	0	0	0	120
410	T	29.4	Very low	32.4	Very low	118 Å²	118	136.9 Å²	136.9	72%	0.724	75%	0.754	S	S	*	*			cis	-157.9	141.6	1.4	-2.2	0	0	0	0	114.9
411	L	31.5	Very low	32.2	Very low	151 Å²	151	137.9 Å²	137.9	79%	0.791	76%	0.756	S	S	*	*			trans	51.3	115.2	143.5	-114	72.4	0	0	0	126.7
412	K	30.2	Very low	32.1	Very low	179 Å²	179	138.6 Å²	138.6	78%	0.778	76%	0.755	S	S	*	*			trans	62.9	112.9	133.1	-82.3	-175.6	175.3	-175	0	125.3
413	Q	22.3	Very low	31.7	Very low	178 Å²	178	141.8 Å²	141.8	83%	0.832	76%	0.763	S	S	*	*			trans	62	156.4	136.6	-77.3	-170.6	-5.9	0	0	121.7
414	P	37.9	Very low	30.9	Very low	122 Å²	122	145.2 Å²	145.2	79%	0.792	77%	0.768	S	S	*	*			cis	-136.3	171.6	-27.9	39.1	-23	0	0	0	114.9
415	G	22.3	Very low	31	Very low	74 Å²	74	144.1 Å²	144.1	76%	0.763	77%	0.77	S	S	*	*			trans	125	92.3	148.4	0	0	0	0	0	121.5
416	Q	24.9	Very low	30	Very low	189 Å²	189	143.5 Å²	143.5	88%	0.883	76%	0.764	S	S	*	*				47.1	111.5	129.8	-170.3	177.8	6.7	0	0	122.6
417	Q	24.6	Very low	30.4	Very low	169 Å²	169	141.8 Å²	141.8	79%	0.79	76%	0.764	S	S	*	*				-176.6	141.9	120.2	-105.2	-171.3	-16.5	0	0	116
418	I	27.1	Very low	30.9	Very low	127 Å²	127	143.8 Å²	143.8	65%	0.651	77%	0.771	S	S	*	*			trans	75.8	126.3	143.8	-66.3	168.6	0	0	0	121.8
419	D	26.9	Very low	31.4	Very low	144 Å²	144	145.9 Å²	145.9	77%	0.77	77%	0.774	S	S	*	*			trans	44.2	140.2	154.5	-56.3	-6	0	0	0	124.7
420	V	27.6	Very low	31.9	Very low	140 Å²	140	140.9 Å²	140.9	85%	0.848	76%	0.758	S	S	*	*				175.1	144.2	108.3	151.2	0	0	0	0	113.4
421	A	30.6	Very low	32.7	Very low	87 Å²	87	138.2 Å²	138.2	72%	0.719	75%	0.747	S	S	*	*			trans	69.3	107.8	159.3	0	0	0	0	0	122.1
422	E	27.8	Very low	33.3	Very low	203 Å²	203	136.4 Å²	136.4	95%	0.949	74%	0.737	S	S	*	*			trans	-78.5	158.8	132.9	-68.1	-179.4	127.3	0	0	109.8
423	K	29.8	Very low	33.8	Very low	189 Å²	189	131 Å²	131	82%	0.822	71%	0.714	S	S	*	*			trans	-155.7	78.2	-175	-168.8	-161.3	174.2	-171.8	0	114.4
424	E	33.4	Very low	35	Very low	196 Å²	196	125.4 Å²	125.4	92%	0.916	70%	0.695	S	S	*	*			trans	-156.5	89.2	165.4	-148.4	163	-149.6	0	0	113.4
425	S	33.9	Very low	35.3	Very low	106 Å²	106	127 Å²	127	74%	0.741	69%	0.689	S	S	*	*			trans	-165.6	-8.4	171.2	59.9	0	0	0	0	116	D427	S425-D427 PolarHBondContact O-N 2.71Å
426	T	35.7	Very low	36.2	Very low	93 Å²	93	127.1 Å²	127.1	57%	0.571	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	-23.8	-162.4	41.5	0	0	0	0	116.6	K428 H429	T426-K428 PolarHBondContact O-N 3.18Å; T426-H429 PolarHBondContact O-N 3.33Å
427	D	43.1	Very low	37.2	Very low	141 Å²	141	121.2 Å²	121.2	75%	0.754	65%	0.646	S	S	*	*	H	α-helix	trans	-75.2	-21.4	-160.2	-73.2	13.9	0	0	0	114.7	S425 H429 G430	S425-D427 PolarHBondContact O-N 2.71Å; D427-H429 VanDerWaalsContact C-N 3.3Å; D427-H429 PolarHBondContact O-N 2.99Å; D427-G430 PolarHBondContact O-N 2.87Å
428	K	44.4	Very low	38.1	Very low	179 Å²	179	118.6 Å²	118.6	78%	0.778	64%	0.638	S	S	*	*	H	α-helix	trans	-67.8	-27.5	177.1	-70	-160.3	173.7	-162.4	0	113.5	T426	T426-K428 PolarHBondContact O-N 3.18Å
429	H	43.2	Very low	38.9	Very low	132 Å²	132	121.7 Å²	121.7	61%	0.611	64%	0.642	S	S	*	*	H	α-helix	trans	-78.3	-26.4	178.1	-67.1	-77.2	0	0	0	112.9	T426 D427 A431 I432 F433	T426-H429 PolarHBondContact O-N 3.33Å; D427-H429 VanDerWaalsContact C-N 3.3Å; D427-H429 PolarHBondContact O-N 2.99Å; H429-A431 PolarHBondContact O-N 2.99Å; H429-I432 PolarHBondContact O-N 2.67Å; H429-F433 PolarHBondContact O-N 2.86Å
430	G	43.3	Very low	39.4	Very low	42 Å²	42	119.3 Å²	119.3	43%	0.433	63%	0.629	S	S	.	*	H	α-helix	trans	-63.3	-41.3	-179.5	0	0	0	0	0	113.3	D427 I432 F433 S434	D427-G430 PolarHBondContact O-N 2.87Å; G430-I432 VanDerWaalsContact C-N 3.34Å; G430-I432 PolarHBondContact O-N 2.86Å; G430-F433 PolarHBondContact O-N 3.16Å; G430-S434 PolarHBondContact O-N 3.23Å; G430-S434 PolarHBondContact O-OG 3.29Å
431	A	45.6	Very low	40.1	Very low	61 Å²	61	118.7 Å²	118.7	50%	0.504	62%	0.621	S	S	.	*	H	α-helix	trans	-68.7	-27.8	-177.3	0	0	0	0	0	114.2	H429 S434	H429-A431 PolarHBondContact O-N 2.99Å; A431-S434 PolarHBondContact O-OG 2.84Å
432	I	44.1	Very low	40.1	Very low	113 Å²	113	122.4 Å²	122.4	58%	0.579	63%	0.625	S	S	*	*	H	α-helix	trans	-75	-43.6	172.9	-59.5	172.5	0	0	0	109.1	H429 G430 L436	H429-I432 PolarHBondContact O-N 2.67Å; G430-I432 VanDerWaalsContact C-N 3.34Å; G430-I432 PolarHBondContact O-N 2.86Å; I432-L436 PolarHBondContact O-N 3.19Å; I432-L436 VanDerWaalsContact O-N 3.15Å
433	F	42	Very low	40.4	Very low	65 Å²	65	121.3 Å²	121.3	29%	0.285	62%	0.62	S	S	.	*	H	α-helix	trans	-67.8	-36.4	-178.9	-156.5	-110.2	0	0	0	112.8	Q324 H429 G430 L436 L437	Q324-F433 HydrophobicContact CB-CE2 3.8Å; Q324-F433 HydrophobicContact CB-CZ 4.18Å; Q324-F433 HydrophobicContact CG-CE2 4.44Å; H429-F433 PolarHBondContact O-N 2.86Å; G430-F433 PolarHBondContact O-N 3.16Å; F433-L436 PolarHBondContact O-N 3.06Å; F433-L437 HydrophobicContact CD1-CD1 3.72Å; F433-L437 HydrophobicContact CE1-CD1 3.5Å; F433-L437 VanDerWaalsContact CE1-CD1 3.5Å; F433-L437 HydrophobicContact CE2-CD1 4.42Å; F433-L437 HydrophobicContact CG-CD1 4.28Å; F433-L437 HydrophobicContact CZ-CD1 3.88Å; F433-L437 WeakPolarHBondContact O-CD1 3.19Å; F433-L437 PolarHBondContact O-N 2.87Å
434	S	45.9	Very low	40.5	Very low	61 Å²	61	117.6 Å²	117.6	43%	0.427	62%	0.616	S	S	.	*	H	α-helix	trans	-66.9	-45.1	176.3	63.2	0	0	0	0	112.4	G430 A431 L436 L437 D438	G430-S434 PolarHBondContact O-N 3.23Å; G430-S434 PolarHBondContact O-OG 3.29Å; A431-S434 PolarHBondContact O-OG 2.84Å; S434-L436 PolarHBondContact O-N 2.86Å; S434-L437 PolarHBondContact O-N 2.89Å; S434-L437 VanDerWaalsContact O-N 3.15Å; S434-D438 PolarHBondContact O-N 2.82Å
435	K	46	Very low	40.3	Very low	156 Å²	156	118.4 Å²	118.4	68%	0.678	62%	0.616	S	S	*	*	H	α-helix	trans	-57.6	-36.2	172.9	-79.3	-176.6	174.6	-177.9	0	112	Y439	K435-Y439 PolarHBondContact O-N 2.98Å
436	L	40.9	Very low	40	Very low	76 Å²	76	117.1 Å²	117.1	40%	0.398	62%	0.62	S	S	.	*	H	α-helix	trans	-70.5	-38.9	177.3	-156.7	77.5	0	0	0	112.2	I432 F433 S434 L440	I432-L436 PolarHBondContact O-N 3.19Å; I432-L436 VanDerWaalsContact O-N 3.15Å; F433-L436 PolarHBondContact O-N 3.06Å; S434-L436 PolarHBondContact O-N 2.86Å; L436-L440 WeakPolarHBondContact O-CD1 3.25Å; L436-L440 WeakPolarHBondContact O-CG 3.24Å; L436-L440 PolarHBondContact O-N 2.84Å
437	L	45.5	Very low	39.5	Very low	65 Å²	65	116.6 Å²	116.6	34%	0.34	63%	0.633	S	S	.	*	H	α-helix	trans	-69.5	-40.2	175.6	-98.6	77.3	0	0	0	112.8	F433 S434 Y439 L440 N441	F433-L437 HydrophobicContact CD1-CD1 3.72Å; F433-L437 HydrophobicContact CE1-CD1 3.5Å; F433-L437 VanDerWaalsContact CE1-CD1 3.5Å; F433-L437 HydrophobicContact CE2-CD1 4.42Å; F433-L437 HydrophobicContact CG-CD1 4.28Å; F433-L437 HydrophobicContact CZ-CD1 3.88Å; F433-L437 WeakPolarHBondContact O-CD1 3.19Å; F433-L437 PolarHBondContact O-N 2.87Å; S434-L437 PolarHBondContact O-N 2.89Å; S434-L437 VanDerWaalsContact O-N 3.15Å; L437-Y439 PolarHBondContact O-N 2.87Å; L437-L440 PolarHBondContact O-N 2.93Å; L437-N441 WeakPolarHBondContact O-CB 3.3Å; L437-N441 PolarHBondContact O-N 2.98Å; L437-N441 VanDerWaalsContact O-N 3.16Å
438	D	44	Very low	39	Very low	115 Å²	115	114.7 Å²	114.7	62%	0.615	64%	0.637	S	S	*	*	H	α-helix	trans	-61.1	-33.8	178.9	-76.9	-24.3	0	0	0	112	S434	S434-D438 PolarHBondContact O-N 2.82Å
439	Y	42.8	Very low	38.5	Very low	192 Å²	192	112.6 Å²	112.6	75%	0.753	64%	0.642	S	S	*	*	H	α-helix	trans	-70.6	-29.1	174.2	-170.2	-99.4	0	0	0	113.3	K435 L437	K435-Y439 PolarHBondContact O-N 2.98Å; L437-Y439 PolarHBondContact O-N 2.87Å
440	L	37.9	Very low	37.7	Very low	93 Å²	93	110 Å²	110	49%	0.487	65%	0.651	S	S	.	*	H	α-helix	trans	-89.7	-8.6	-177	-69.6	168.9	0	0	0	113.8	L330 L436 L437	L330-L440 HydrophobicContact CD1-CD1 4.21Å; L330-L440 HydrophobicContact CD1-CD2 4.4Å; L436-L440 WeakPolarHBondContact O-CD1 3.25Å; L436-L440 WeakPolarHBondContact O-CG 3.24Å; L436-L440 PolarHBondContact O-N 2.84Å; L437-L440 PolarHBondContact O-N 2.93Å
441	N	41.2	Very low	36.9	Very low	127 Å²	127	114 Å²	114	68%	0.679	67%	0.667	S	S	*	*			trans	-108.7	50.9	-168.9	-165	26.9	0	0	0	113.9	L437	L437-N441 WeakPolarHBondContact O-CB 3.3Å; L437-N441 PolarHBondContact O-N 2.98Å; L437-N441 VanDerWaalsContact O-N 3.16Å
442	M	32.4	Very low	35.9	Very low	165 Å²	165	120.3 Å²	120.3	81%	0.813	68%	0.683	S	S	*	*			trans	-123.6	90.3	174.3	-75.4	-71.1	160.8	0	0	111.1
443	E	32.8	Very low	34.9	Very low	180 Å²	180	121 Å²	121	84%	0.841	70%	0.697	S	S	*	*			trans	-82.4	163.2	174.6	-103.6	-155.8	-175.7	0	0	113.2
444	P	32.8	Very low	33.9	Very low	112 Å²	112	129.3 Å²	129.3	73%	0.727	73%	0.727	S	S	*	*			trans	-85	142.9	-150.4	31.6	-37.3	0	0	0	116.2	G446	P444-G446 PolarHBondContact O-N 3.36Å
445	F	28.6	Very low	34.1	Very low	212 Å²	212	131.4 Å²	131.4	93%	0.93	74%	0.739	S	S	*	*			trans	-71.9	93.9	171.3	-73.9	-78.7	0	0	0	112.8
446	G	26.8	Very low	34	Very low	80 Å²	80	130 Å²	130	83%	0.825	75%	0.746	S	S	*	*			trans	-90	133.3	160.2	0	0	0	0	0	111.8	P444	P444-G446 PolarHBondContact O-N 3.36Å
447	G	26.5	Very low	33.3	Very low	81 Å²	81	130.7 Å²	130.7	84%	0.835	76%	0.762	S	S	*	*			trans	178.2	105.1	174.4	0	0	0	0	0	115.7
448	A	32.6	Very low	33.9	Very low	102 Å²	102	132.9 Å²	132.9	84%	0.843	78%	0.781	S	S	*	*			trans	-150.1	123.4	168.3	0	0	0	0	0	111.2
449	P	34.4	Very low	33	Very low	134 Å²	134	134.8 Å²	134.8	87%	0.87	79%	0.79	S	S	*	*			trans	-116.2	122.3	174.3	35.3	-23.9	0	0	0	113.1
450	G	25.6	Very low	32.2	Very low	79 Å²	79	133.3 Å²	133.3	81%	0.814	79%	0.79	S	S	*	*			trans	174.7	102.6	173.8	0	0	0	0	0	113.8
451	V	27.4	Very low	31.8	Very low	125 Å²	125	137 Å²	137	76%	0.758	80%	0.802	S	S	*	*			trans	-122	120.6	-164.3	167.5	0	0	0	0	113.1
452	K	23.6	Very low	31.1	Very low	193 Å²	193	137.8 Å²	137.8	84%	0.839	80%	0.804	S	S	*	*				167	158.3	126.3	-107	139.5	-173.4	174.4	0	117.4
453	S	23.1	Very low	30.8	Very low	127 Å²	127	136.2 Å²	136.2	89%	0.888	80%	0.803	S	S	*	*			trans	89.9	177	152.6	80	0	0	0	0	119.5
454	R	20.6	Very low	30.5	Very low	240 Å²	240	131.1 Å²	131.1	91%	0.906	80%	0.799	S	S	*	*			trans	-133.7	-164.7	-144.7	-140.4	-165	170.2	177.7	-2.2	112
455	P	50.5	Low	30.3	Very low	106 Å²	106	132.3 Å²	132.3	69%	0.688	80%	0.798	S	S	*	*			trans	-92.9	-168.8	-143.5	45.9	-30.7	0	0	0	112.9
456	P	44.7	Very low	30.3	Very low	127 Å²	127	130.2 Å²	130.2	83%	0.825	79%	0.791	S	S	*	*			cis	-134.4	-145.5	7.2	42.9	-21.4	0	0	0	114.8
457	A	26.5	Very low	30.3	Very low	89 Å²	89	130.8 Å²	130.8	74%	0.736	78%	0.783	S	S	*	*			trans	-98.4	-165.3	-175.9	0	0	0	0	0	112.9
458	P	57.7	Low	30.3	Very low	112 Å²	112	132.9 Å²	132.9	73%	0.727	78%	0.779	S	S	*	*			cis	-124.7	-177.7	-36.5	38.5	-23.8	0	0	0	112.8
459	L	25.2	Very low	29.9	Very low	155 Å²	155	135.6 Å²	135.6	81%	0.812	77%	0.774	S	S	*	*			trans	164.1	121.1	135.3	-90	164.3	0	0	0	117.5
460	Q	26.1	Very low	29.5	Very low	160 Å²	160	134.5 Å²	134.5	75%	0.748	77%	0.769	S	S	*	*				35.8	126.6	127.9	-139.9	176.2	37.1	0	0	125.9
461	K	29.4	Very low	29.9	Very low	170 Å²	170	137.8 Å²	137.8	74%	0.739	77%	0.767	S	S	*	*			trans	88.1	136.5	136.6	-101.3	-177.4	174.3	-174.5	0	125.4
462	M	26.1	Very low	30	Very low	145 Å²	145	136.8 Å²	136.8	71%	0.714	76%	0.761	S	S	*	*			trans	90.6	114.4	136.6	-80.4	178.7	71.3	0	0	124.7
463	V	26.9	Very low	30.2	Very low	131 Å²	131	136.2 Å²	136.2	79%	0.794	76%	0.759	S	S	*	*				64.6	133.5	120.8	176.5	0	0	0	0	121.8
464	G	25.8	Very low	30.4	Very low	73 Å²	73	138.6 Å²	138.6	75%	0.753	76%	0.756	S	S	*	*			trans	147.6	139.1	160	0	0	0	0	0	113.3
465	L	28.7	Very low	30.8	Very low	138 Å²	138	130.7 Å²	130.7	72%	0.723	75%	0.749	S	S	*	*			cis	171.7	136.5	-48.9	-176.7	82.4	0	0	0	105.6
466	E	28	Very low	29.7	Very low	167 Å²	167	134.2 Å²	134.2	78%	0.78	76%	0.756	S	S	*	*			trans	67.1	157.1	159.1	-92.8	156.9	-135.8	0	0	119.7
467	S	26.3	Very low	28.8	Very low	92 Å²	92	134 Å²	134	64%	0.643	75%	0.753	S	S	*	*			cis	-154.9	148.5	0.1	65.7	0	0	0	0	110.9
468	V	26.5	Very low	29	Very low	126 Å²	126	135.6 Å²	135.6	76%	0.764	76%	0.755	S	S	*	*				71.2	138	101.4	173.1	0	0	0	0	115.9
469	H	26	Very low	27.4	Very low	158 Å²	158	134.7 Å²	134.7	73%	0.731	76%	0.757	S	S	*	*			cis	-173.7	151.9	-21.1	-122.5	74.8	0	0	0	110.5
470	S	25.6	Very low	29.1	Very low	111 Å²	111	132.6 Å²	132.6	78%	0.776	75%	0.753	S	S	*	*			trans	-176.4	129.4	146.1	45.1	0	0	0	0	109.9
471	I	33.1	Very low	28.9	Very low	148 Å²	148	134.4 Å²	134.4	76%	0.759	75%	0.754	S	S	*	*			cis	99.2	127.4	39.3	-75.3	169.4	0	0	0	111.9
472	T	30.5	Very low	28.6	Very low	105 Å²	105	135.8 Å²	135.8	64%	0.644	76%	0.755	S	S	*	*			cis	-169.6	143.8	-15.7	-80.5	0	0	0	0	110
473	K	28.1	Very low	28.6	Very low	180 Å²	180	132.7 Å²	132.7	78%	0.783	75%	0.748	S	S	*	*			trans	175.2	108.1	135.1	-97.3	170	-178.1	-176.6	0	110.8
474	Q	27.3	Very low	28.5	Very low	177 Å²	177	135.2 Å²	135.2	83%	0.827	75%	0.75	S	S	*	*				63.1	117.4	96.4	-71.6	-179.1	-42.8	0	0	113.6
475	G	28.7	Very low	28.4	Very low	74 Å²	74	138.6 Å²	138.6	76%	0.763	75%	0.747	S	S	*	*			cis	-172.2	-174.6	-1.2	0	0	0	0	0	108.2
476	Q	26.4	Very low	28.2	Very low	181 Å²	181	138.8 Å²	138.8	85%	0.846	74%	0.742	S	S	*	*			cis	-148.4	161.3	4.4	-89.7	-179.1	-136.4	0	0	107.4
477	V	26.4	Very low	28	Very low	123 Å²	123	137.5 Å²	137.5	75%	0.745	74%	0.739	S	S	*	*			cis	78.4	123	39.7	-180	0	0	0	0	112.2
478	P	30	Very low	28	Very low	122 Å²	122	139.1 Å²	139.1	79%	0.792	75%	0.745	S	S	*	*			cis	-123.8	171.5	33.7	42	-30.3	0	0	0	117.9
479	A	23.8	Very low	27.8	Very low	92 Å²	92	140.6 Å²	140.6	76%	0.76	75%	0.746	S	S	*	*			trans	-141.7	-155.8	167.1	0	0	0	0	0	109.1
480	P	60.9	Low	28.2	Very low	111 Å²	111	139.1 Å²	139.1	72%	0.721	75%	0.749	S	S	*	*				-113.3	-162.8	-122.1	41.2	-25.2	0	0	0	113.7
481	Y	22.5	Very low	28.8	Very low	199 Å²	199	139.3 Å²	139.3	78%	0.78	75%	0.747	S	S	*	*			trans	159.1	173.3	142	-103.9	-117.2	0	0	0	109
482	R	23.6	Very low	28.7	Very low	198 Å²	198	136.8 Å²	136.8	75%	0.747	75%	0.748	S	S	*	*				-169.3	148.3	-55.1	-166.6	-167.5	171	155.7	-1	106.6
483	S	25.3	Very low	28.6	Very low	81 Å²	81	139.9 Å²	139.9	57%	0.566	75%	0.753	S	S	*	*			trans	-14.1	145.7	169.2	57.8	0	0	0	0	120.7
484	E	24.9	Very low	28.5	Very low	183 Å²	183	138.7 Å²	138.7	86%	0.855	75%	0.75	S	S	*	*				-166.8	-175.3	112.4	-105	166.6	-149.4	0	0	115
485	E	24.2	Very low	28.4	Very low	144 Å²	144	133.6 Å²	133.6	67%	0.673	75%	0.745	S	S	*	*			trans	-81.8	-171.9	-155.7	-46.1	177.8	105.5	0	0	115.4
486	K	24.4	Very low	28.3	Very low	142 Å²	142	135.3 Å²	135.3	62%	0.617	75%	0.745	S	S	*	*			cis	-163.8	143	15.6	-148.4	161.8	-172.1	100.2	0	113.4
487	I	24.3	Very low	28.3	Very low	140 Å²	140	132.8 Å²	132.8	72%	0.718	74%	0.742	S	S	*	*			trans	32.3	123.3	149.1	-54.9	169.7	0	0	0	117.8
488	V	25.7	Very low	28.3	Very low	127 Å²	127	133.5 Å²	133.5	77%	0.77	74%	0.741	S	S	*	*				-161.3	-177.4	63.1	-130.4	0	0	0	0	109.7
489	I	22.9	Very low	28	Very low	156 Å²	156	137.9 Å²	137.9	80%	0.8	74%	0.742	S	S	*	*			cis	-134.8	-144.5	0.8	-27.4	159.7	0	0	0	111.1
490	V	34.2	Very low	28.2	Very low	128 Å²	128	139.6 Å²	139.6	78%	0.776	74%	0.738	S	S	*	*			trans	-152.5	143.5	-167.3	168.2	0	0	0	0	106.2
491	P	37.9	Very low	26.5	Very low	114 Å²	114	140.9 Å²	140.9	74%	0.74	74%	0.743	S	S	*	*				-146.3	151.9	54.5	37.8	-16.6	0	0	0	121.1
492	A	29.8	Very low	26.6	Very low	95 Å²	95	135 Å²	135	79%	0.785	74%	0.743	S	S	*	*			trans	43	139.3	141.4	0	0	0	0	0	121.7
493	K	29.5	Very low	26.7	Very low	170 Å²	170	128.5 Å²	128.5	74%	0.739	74%	0.738	S	S	*	*			cis	-150.8	170.4	44.7	-101.1	-178.6	157.3	-86.2	0	115.3
494	E	25.6	Very low	26.8	Very low	156 Å²	156	127.8 Å²	127.8	73%	0.729	74%	0.737	S	S	*	*			trans	-24.3	156.5	172.3	-55.6	116.5	157.6	0	0	119.7
495	G	26.5	Very low	26.8	Very low	70 Å²	70	127.9 Å²	127.9	72%	0.722	74%	0.738	S	S	*	*			cis	167.5	150.1	0.8	0	0	0	0	0	111.8
496	S	26.7	Very low	26.9	Very low	110 Å²	110	125.3 Å²	125.3	77%	0.769	74%	0.741	S	S	*	*			trans	-144.8	162.5	-141.3	-47.7	0	0	0	0	119.2
497	T	25.9	Very low	27.8	Very low	127 Å²	127	124.1 Å²	124.1	78%	0.779	75%	0.747	S	S	*	*			trans	63.8	170.4	148.8	46.5	0	0	0	0	120.6
498	L	25.5	Very low	28	Very low	138 Å²	138	125.8 Å²	125.8	72%	0.723	76%	0.758	S	S	*	*			cis	156.8	128.1	-46.4	-94.5	165.1	0	0	0	111.6
499	R	24	Very low	28	Very low	215 Å²	215	123.2 Å²	123.2	81%	0.811	76%	0.757	S	S	*	*			trans	71.2	160.6	150.3	-65.7	-177.8	167.8	-162	-3	119
500	L	27.9	Very low	28.3	Very low	128 Å²	128	127.1 Å²	127.1	67%	0.67	76%	0.761	S	S	*	*			cis	-166.2	162.1	-12.2	-108.6	170.3	0	0	0	112.5
501	T	24.9	Very low	28	Very low	137 Å²	137	127.2 Å²	127.2	84%	0.84	76%	0.762	S	S	*	*			trans	59.2	151.2	154.5	46.8	0	0	0	0	121.9
502	G	25.5	Very low	27.3	Very low	75 Å²	75	128.4 Å²	128.4	77%	0.773	76%	0.762	S	S	*	*			cis	177.1	154.4	-7.7	0	0	0	0	0	114.6
503	G	24.6	Very low	27.4	Very low	62 Å²	62	129.7 Å²	129.7	64%	0.639	77%	0.765	S	S	*	*			trans	81.1	173.3	177.9	0	0	0	0	0	116.2	K551	G503-K551 PolarHBondContact O-NZ 2.85Å
504	A	27.7	Very low	27.5	Very low	66 Å²	66	130 Å²	130	55%	0.545	77%	0.769	S	S	.	*			cis	-175.4	168.7	-15.4	0	0	0	0	0	105.9	K551	A504-K551 WeakPolarHBondContact O-CE 3.47Å
505	E	25.1	Very low	27.8	Very low	186 Å²	186	129.3 Å²	129.3	87%	0.869	77%	0.769	S	S	*	*			cis	-151.8	-128.2	-20	-147.4	69.9	170.8	0	0	111.8
506	A	26.9	Very low	27.9	Very low	89 Å²	89	134.7 Å²	134.7	74%	0.736	78%	0.776	S	S	*	*			trans	-156.2	-171.7	-174.7	0	0	0	0	0	111.6
507	P	43.7	Very low	28.4	Very low	117 Å²	117	140 Å²	140	76%	0.76	78%	0.779	S	S	*	*			cis	-144.5	-174.3	3.2	45.8	-25.9	0	0	0	118.7
508	D	27.1	Very low	28.5	Very low	176 Å²	176	146.2 Å²	146.2	94%	0.941	79%	0.788	S	S	*	*			trans	53.9	137.9	151.3	-86.3	-24.6	0	0	0	127.4
509	G	25.1	Very low	28.4	Very low	72 Å²	72	147.2 Å²	147.2	74%	0.742	79%	0.791	S	S	*	*			trans	166.1	130.7	165.9	0	0	0	0	0	115.5
510	R	30.2	Very low	28.6	Very low	239 Å²	239	146.2 Å²	146.2	90%	0.902	80%	0.796	S	S	*	*			trans	-77.5	155.8	177.6	-68.2	-175	-173.2	169.6	5.2	112
511	V	27.3	Very low	28.5	Very low	129 Å²	129	144.3 Å²	144.3	78%	0.782	80%	0.798	S	S	*	*			cis	73.8	77.3	33	-169.3	0	0	0	0	114.9
512	D	24.6	Very low	28.5	Very low	140 Å²	140	145.6 Å²	145.6	75%	0.749	80%	0.8	S	S	*	*			trans	-150.2	179.5	149.7	-100	-49.2	0	0	0	108.6
513	S	31.3	Very low	28.5	Very low	122 Å²	122	150.1 Å²	150.1	85%	0.853	80%	0.801	S	S	*	*			trans	78.1	35.5	177.9	-52.9	0	0	0	0	118.4
514	E	31.5	Very low	29.2	Very low	175 Å²	175	151.8 Å²	151.8	82%	0.818	80%	0.8	S	S	*	*			trans	-108.6	34.3	168	-157.8	162.2	-129.5	0	0	113.6
515	I	31.1	Very low	29.8	Very low	142 Å²	142	154 Å²	154	73%	0.728	81%	0.809	S	S	*	*	S	Bend	trans	-125.1	50	178.6	-42.3	-179.1	0	0	0	110.9
516	Q	28.8	Very low	29.8	Very low	184 Å²	184	152.8 Å²	152.8	86%	0.86	81%	0.809	S	S	*	*	S	Bend	trans	-152.1	20.5	177.7	-152.8	151.4	3.3	0	0	116.7
517	R	37.1	Very low	29.7	Very low	222 Å²	222	151.6 Å²	151.6	84%	0.838	81%	0.805	S	S	*	*			trans	-128.6	16.1	174.9	-75.8	-169.2	-68.1	166	0.8	115.3	M519	R517-M519 VanDerWaalsContact C-N 3.26Å; R517-M519 PolarHBondContact O-N 3.2Å
518	W	28.5	Very low	28.7	Very low	257 Å²	257	151.2 Å²	151.2	97%	0.973	81%	0.812	S	S	*	*			trans	-92.9	48.2	170.2	-81.1	50.2	0	0	0	111.1
519	M	23.9	Very low	28.6	Very low	158 Å²	158	148 Å²	148	78%	0.778	81%	0.809	S	S	*	*			trans	-137.2	131	175.7	-72.7	-170.4	73.3	0	0	110.9	R517	R517-M519 VanDerWaalsContact C-N 3.26Å; R517-M519 PolarHBondContact O-N 3.2Å
520	Q	28.3	Very low	28.5	Very low	195 Å²	195	152.1 Å²	152.1	91%	0.911	81%	0.809	S	S	*	*			trans	77	135.9	172.3	-58.2	173.6	-5.9	0	0	116.6
521	A	25.5	Very low	28.4	Very low	87 Å²	87	146.4 Å²	146.4	72%	0.719	80%	0.804	S	S	*	*			trans	-144	158.7	176.6	0	0	0	0	0	107.3
522	D	24.7	Very low	28.4	Very low	165 Å²	165	147.9 Å²	147.9	88%	0.882	80%	0.802	S	S	*	*				-174.2	161.5	127	-99.9	-27.3	0	0	0	115
523	Q	24.9	Very low	28.4	Very low	170 Å²	170	147.7 Å²	147.7	79%	0.794	80%	0.796	S	S	*	*			trans	-61.9	163.5	-163	-75.4	-91.5	-65.1	0	0	120.4
524	P	39.7	Very low	28.1	Very low	96 Å²	96	146.6 Å²	146.6	62%	0.623	80%	0.795	S	S	*	*			trans	-90.1	179	166.5	42.1	-37.9	0	0	0	112.8
525	P	41.6	Very low	27.9	Very low	113 Å²	113	144.6 Å²	144.6	73%	0.734	79%	0.786	S	S	*	*				-121	-169	84.9	41.4	-37.4	0	0	0	111.5
526	D	23.8	Very low	27.7	Very low	160 Å²	160	147.5 Å²	147.5	86%	0.856	79%	0.793	S	S	*	*			cis	-147.5	179.4	10.5	-127.3	-40.3	0	0	0	108.1
527	G	25.1	Very low	27.7	Very low	65 Å²	65	147.5 Å²	147.5	67%	0.67	79%	0.79	S	S	*	*			cis	-175.1	-157.7	5.8	0	0	0	0	0	113
528	A	23.2	Very low	27.2	Very low	109 Å²	109	144.9 Å²	144.9	90%	0.901	79%	0.793	S	S	*	*			trans	-112.2	141.5	-154.3	0	0	0	0	0	118.6
529	A	24.5	Very low	27.2	Very low	107 Å²	107	138.8 Å²	138.8	88%	0.884	78%	0.784	S	S	*	*			trans	-163.4	142.6	137.4	0	0	0	0	0	110.9
530	Q	22.1	Very low	27.4	Very low	159 Å²	159	141.2 Å²	141.2	74%	0.743	79%	0.79	S	S	*	*			trans	-148.1	161	171.5	-142.5	-150.6	57.2	0	0	110.3
531	P	29.7	Very low	27.4	Very low	120 Å²	120	139 Å²	139	78%	0.779	78%	0.783	S	S	*	*				-148.8	140.5	104.9	36.1	-19.1	0	0	0	117.2
532	E	26.1	Very low	27.4	Very low	159 Å²	159	144.6 Å²	144.6	74%	0.743	79%	0.791	S	S	*	*				8.6	150.3	129.2	-83.1	-179.5	171.5	0	0	121.2
533	E	25.8	Very low	27.5	Very low	136 Å²	136	142.1 Å²	142.1	64%	0.636	78%	0.782	S	S	*	*			cis	-162.6	153.7	-10	-158.5	-163.6	-161.4	0	0	110.4	Q535	E533-Q535 HydrophobicContact CG-CG 4.34Å; E533-Q535 WeakPolarHBondContact OE1-CG 3.48Å; E533-Q535 PolarHBondContact OE1-NE2 2.82Å
534	A	23.5	Very low	27.7	Very low	100 Å²	100	142.8 Å²	142.8	83%	0.826	79%	0.785	S	S	*	*			trans	-159.9	108.7	149.8	0	0	0	0	0	111.6
535	Q	27.7	Very low	27.3	Very low	133 Å²	133	142.9 Å²	142.9	62%	0.621	78%	0.78	S	S	*	*			trans	-75.8	140.1	-171	-58.6	-178.6	5.2	0	0	115.2	E533	E533-Q535 HydrophobicContact CG-CG 4.34Å; E533-Q535 WeakPolarHBondContact OE1-CG 3.48Å; E533-Q535 PolarHBondContact OE1-NE2 2.82Å
536	K	28.1	Very low	26.8	Very low	202 Å²	202	143.2 Å²	143.2	88%	0.878	78%	0.78	S	S	*	*			trans	-133.2	147	145.1	-89.8	-175.7	177.3	174.1	0	109.7
537	K	27.9	Very low	27	Very low	185 Å²	185	142.9 Å²	142.9	80%	0.804	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-99	119.1	-176.6	-64.6	178.7	178.9	179.5	0	109.9
538	D	26.5	Very low	27.4	Very low	166 Å²	166	143.9 Å²	143.9	89%	0.888	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-75.4	142.8	176.6	-73.7	-45.7	0	0	0	112.6
539	V	28.4	Very low	27.7	Very low	129 Å²	129	142.5 Å²	142.5	78%	0.782	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-101.2	129.3	173.6	176.7	0	0	0	0	108.4	I541	V539-I541 PolarHBondContact O-N 2.91Å; V539-I541 VanDerWaalsContact O-N 3.12Å
540	K	27.5	Very low	28.2	Very low	209 Å²	209	142.7 Å²	142.7	91%	0.909	75%	0.752	S	S	*	*			trans	-69.8	107	-171.1	-153.1	169.8	-171.1	173.7	0	111.4
541	I	28.2	Very low	28.5	Very low	149 Å²	149	141.6 Å²	141.6	76%	0.764	75%	0.745	S	S	*	*			trans	-73.8	147.6	179.6	-61	176.6	0	0	0	110.4	V539	V539-I541 PolarHBondContact O-N 2.91Å; V539-I541 VanDerWaalsContact O-N 3.12Å
542	K	26.1	Very low	28.5	Very low	204 Å²	204	144.1 Å²	144.1	89%	0.887	75%	0.746	S	S	*	*			trans	-101.6	110.3	-178.2	-163.9	178.7	-173.9	-176.1	0	110.6
543	T	27.8	Very low	28.9	Very low	113 Å²	113	144 Å²	144	69%	0.693	74%	0.743	S	S	*	*			trans	-72.1	146.8	-176	-28.5	0	0	0	0	112.7	L545	T543-L545 HydrophobicContact CG2-CD1 4.47Å
544	Q	28.8	Very low	29.4	Very low	184 Å²	184	143.5 Å²	143.5	86%	0.86	75%	0.754	S	S	*	*			trans	-129.7	127.9	170.6	-168.3	173.4	14.8	0	0	108.7
545	L	30.8	Very low	29.9	Very low	98 Å²	98	144.2 Å²	144.2	51%	0.513	75%	0.753	S	S	.	*			trans	-88.9	143	-176.2	-93.8	65.1	0	0	0	111.8	T543 Q653	T543-L545 HydrophobicContact CG2-CD1 4.47Å; L545-Q653 HydrophobicContact CD2-CG 4.12Å
546	V	30.3	Very low	30.6	Very low	121 Å²	121	150.2 Å²	150.2	73%	0.733	77%	0.77	S	S	*	*			trans	-116.1	127.9	167	179.7	0	0	0	0	107.8	V548	V546-V548 HydrophobicContact CG1-CG2 4.5Å
547	H	28.8	Very low	31.2	Very low	152 Å²	152	143.4 Å²	143.4	70%	0.704	76%	0.757	S	S	*	*			trans	-87.6	138	173.7	-77.9	61.1	0	0	0	110.3
548	V	34.3	Very low	32	Very low	86 Å²	86	144.2 Å²	144.2	52%	0.521	76%	0.761	S	S	.	*			trans	-131.4	122.3	172.1	-178.7	0	0	0	0	108.7	V546 L601	V546-V548 HydrophobicContact CG1-CG2 4.5Å; V548-L601 HydrophobicContact CG1-CD2 4.35Å
549	G	28.4	Very low	33	Very low	80 Å²	80	141.7 Å²	141.7	83%	0.825	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-82.8	120.1	179.2	0	0	0	0	0	112.1
550	V	34.6	Very low	34.4	Very low	111 Å²	111	144 Å²	144	67%	0.673	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-94.2	117.2	171	-179.3	0	0	0	0	108.7	L601	V550-L601 HydrophobicContact CG2-CD1 4.16Å
551	K	29.2	Very low	36.4	Very low	137 Å²	137	139.1 Å²	139.1	60%	0.596	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-70.6	150.1	-178.2	-136.3	-177.7	-171.3	-174	0	111.6	G503 A504	G503-K551 PolarHBondContact O-NZ 2.85Å; A504-K551 WeakPolarHBondContact O-CE 3.47Å
552	E	30.6	Very low	38.9	Very low	173 Å²	173	132.9 Å²	132.9	81%	0.808	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-69.6	139.2	-171.7	-63.2	-174.3	97.6	0	0	114.5
553	F	34.5	Very low	41.7	Very low	157 Å²	157	123.2 Å²	123.2	69%	0.689	65%	0.648	S	S	*	*			trans	-132.9	132.4	156.7	-72	-82.4	0	0	0	109.6	R648	F553-R648 PolarHBondContact O-NH1 3.14Å; F553-R648 VanDerWaalsContact O-NH1 3.09Å; F553-R648 PolarHBondContact O-NH2 3.18Å
554	S	34.9	Very low	44.5	Very low	124 Å²	124	120 Å²	120	87%	0.867	62%	0.623	S	S	*	*			trans	-120	123.9	-173.8	-175.1	0	0	0	0	111.6
555	S	34	Very low	47.3	Very low	115 Å²	115	111.2 Å²	111.2	80%	0.804	58%	0.582	S	S	*	*			trans	-156.9	146.3	163.1	60.3	0	0	0	0	109.9	G557	S555-G557 PolarHBondContact O-N 3.12Å
556	R	43.9	Very low	49.9	Very low	259 Å²	259	106.8 Å²	106.8	98%	0.977	56%	0.559	S	S	*	*			trans	-71.1	125.4	-176.9	-69.2	171.5	170.4	167.2	-5.4	110.7
557	G	40.2	Very low	52.5	Low	59 Å²	59	101.2 Å²	101.2	61%	0.608	53%	0.525	S	S	*	.			trans	-166.4	150.7	173.5	0	0	0	0	0	110.6	S555	S555-G557 PolarHBondContact O-N 3.12Å
558	K	43.5	Very low	54.8	Low	203 Å²	203	98.4 Å²	98.4	88%	0.883	52%	0.515	S	S	*	.	S	Bend	trans	-88.2	-21.6	-169.8	-121.1	179.6	179.5	-176.1	0	114.8
559	D	48.7	Very low	56.6	Low	113 Å²	113	95.8 Å²	95.8	60%	0.604	50%	0.501	S	S	*	.			trans	-97.2	133.5	-179.5	-45.1	-69.7	0	0	0	111.9	R608	D559-R608 VanDerWaalsContact O-CZ 3.32Å; D559-R608 PolarHBondContact O-NH1 3.03Å; D559-R608 PolarHBondContact O-NH2 2.88Å
560	R	58.3	Low	58.2	Low	178 Å²	178	99 Å²	99	67%	0.672	50%	0.499	S	S	*	.			trans	-122.4	-5.3	-165.9	-69.3	-176	169.7	-169.2	-4.1	116.4	F562 D647	R560-F562 WeakPolarHBondContact O-CD2 3.44Å; R560-D647 WeakPolarHBondContact CB-OD1 3.19Å
561	H	69.2	Low	60	Low	105 Å²	105	97.9 Å²	97.9	49%	0.486	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	131.8	-177	-48.5	117.1	0	0	0	113.3	V645 D647	H561-V645 HydrophobicContact CB-CG1 3.82Å; H561-D647 IonicContact CD2-OD1 3.37Å; H561-D647 PolarHBondContact CD2-OD1 3.06Å; H561-D647 IonicContact CD2-OD2 3.99Å; H561-D647 IonicContact NE2-OD1 3.06Å
562	F	80.4	Confident	62.5	Low	19 Å²	19	91.9 Å²	91.9	8%	0.083	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	144	171.2	-73.8	-92	0	0	0	110.4	R560 R608 V645 S646 R648 L651	R560-F562 WeakPolarHBondContact O-CD2 3.44Å; F562-R608 HydrophobicContact CD1-CB 4.04Å; F562-R608 HydrophobicContact CE1-CB 4.05Å; F562-V645 CarbonylContact O-C 3.54Å; F562-V645 WeakPolarHBondContact O-CA 3.36Å; F562-S646 PolarHBondContact N-O 2.8Å; F562-S646 PolarHBondContact O-N 2.76Å; F562-R648 HydrophobicContact CD2-CB 4.2Å; F562-R648 HydrophobicContact CE2-CB 3.96Å; F562-R648 HydrophobicContact CE2-CG 4.08Å; F562-L651 HydrophobicContact CB-CD1 3.89Å
563	G	83.8	Confident	65	Low	0 Å²	0	86.8 Å²	86.8	0%	0	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	148.6	170.1	0	0	0	0	0	110.2	T606 F607	G563-T606 CarbonylContact O-C 3.58Å; G563-T606 VanDerWaalsContact O-CA 3.24Å; G563-T606 WeakPolarHBondContact O-CA 3.34Å; G563-F607 PolarHBondContact N-O 3.36Å; G563-F607 PolarHBondContact O-N 2.95Å
564	Y	88.1	Confident	67.3	Low	45 Å²	45	84.4 Å²	84.4	18%	0.176	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	147.1	171	68.5	-89.5	0	0	0	111.4	I566 M605 E642 A643 G644	Y564-I566 HydrophobicContact CD2-CG1 4.18Å; Y564-I566 HydrophobicContact CE2-CD1 4.46Å; Y564-I566 HydrophobicContact CE2-CG1 4.47Å; Y564-M605 CarbonylContact C-O 3.53Å; Y564-M605 VanDerWaalsContact CA-O 3.26Å; Y564-M605 WeakPolarHBondContact CA-O 3.21Å; Y564-E642 HydrophobicContact CE2-CG 4.39Å; Y564-E642 PolarHBondContact OH-OE1 2.88Å; Y564-A643 CarbonylContact O-C 3.59Å; Y564-A643 VanDerWaalsContact O-CA 3.31Å; Y564-A643 WeakPolarHBondContact O-CA 3.49Å; Y564-G644 WeakPolarHBondContact CD1-O 3.29Å; Y564-G644 PolarHBondContact N-O 2.82Å; Y564-G644 PolarHBondContact O-N 3.34Å
565	I	86.7	Confident	69.5	Low	0 Å²	0	84.6 Å²	84.6	0%	0	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	126.3	174.9	-69.8	167.1	0	0	0	107.9	L580 L584 A604 M605 F607 A625 I640 A643	I565-L580 HydrophobicContact CG2-CD2 4.28Å; I565-L584 HydrophobicContact CD1-CD1 3.67Å; I565-A604 CarbonylContact O-C 3.56Å; I565-A604 VanDerWaalsContact O-CA 3.32Å; I565-A604 WeakPolarHBondContact O-CA 3.03Å; I565-M605 HydrophobicContact CB-CE 4.07Å; I565-M605 HydrophobicContact CB-CG 4.2Å; I565-M605 HydrophobicContact CD1-CE 3.68Å; I565-M605 HydrophobicContact CG1-CE 4.4Å; I565-M605 HydrophobicContact CG2-CE 4.44Å; I565-M605 PolarHBondContact N-O 3.42Å; I565-M605 PolarHBondContact O-N 2.97Å; I565-F607 HydrophobicContact CD1-CE1 3.81Å; I565-F607 HydrophobicContact CD1-CZ 4.31Å; I565-F607 HydrophobicContact CG1-CE1 4.02Å; I565-A625 HydrophobicContact CD1-CB 3.68Å; I565-A625 HydrophobicContact CG1-CB 4.39Å; I565-I640 HydrophobicContact CG2-CG1 4.31Å; I565-I640 HydrophobicContact CG2-CG2 4.14Å; I565-A643 HydrophobicContact CG1-CB 3.8Å
566	I	85.1	Confident	71.9	Confident	6 Å²	6	86.4 Å²	86.4	3%	0.031	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	131.5	176.9	-45.3	-179	0	0	0	108.9	Y564 P603 A604 V641 E642 I654	Y564-I566 HydrophobicContact CD2-CG1 4.18Å; Y564-I566 HydrophobicContact CE2-CD1 4.46Å; Y564-I566 HydrophobicContact CE2-CG1 4.47Å; I566-P603 HydrophobicContact CG2-CB 4.34Å; I566-A604 HydrophobicContact CB-CB 4.45Å; I566-A604 HydrophobicContact CG1-CB 4.15Å; I566-A604 HydrophobicContact CG2-CB 4.4Å; I566-V641 HydrophobicContact CB-CB 4.39Å; I566-V641 HydrophobicContact CG2-CB 4.38Å; I566-V641 PolarHBondContact O-N 3.39Å; I566-E642 HydrophobicContact CB-CB 4.21Å; I566-E642 HydrophobicContact CD1-CB 3.83Å; I566-E642 HydrophobicContact CD1-CG 4.37Å; I566-E642 HydrophobicContact CG1-CB 4.07Å; I566-E642 PolarHBondContact N-O 3Å; I566-E642 PolarHBondContact O-N 3.48Å; I566-I654 HydrophobicContact CD1-CG2 3.4Å; I566-I654 HydrophobicContact CG1-CG2 4.03Å
567	T	84.9	Confident	73.8	Confident	3 Å²	3	74.1 Å²	74.1	2%	0.018	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	160.9	174.8	72.1	0	0	0	0	112	S569 L572 P603 L638 K639	T567-S569 PolarHBondContact O-N 3.38Å; T567-S569 WeakPolarHBondContact OG1-CB 3.29Å; T567-S569 PolarHBondContact OG1-OG 2.64Å; T567-L572 HydrophobicContact CG2-CD1 4.47Å; T567-L572 HydrophobicContact CG2-CD2 4.1Å; T567-P603 PolarHBondContact N-O 2.85Å; T567-P603 PolarHBondContact OG1-O 3.21Å; T567-L638 HydrophobicContact CG2-CB 4.47Å; T567-K639 CarbonylContact C-O 3.56Å; T567-K639 WeakPolarHBondContact CA-O 3.23Å
568	N	77.9	Confident	75.9	Confident	94 Å²	94	73.6 Å²	73.6	50%	0.503	37%	0.367	S	S	.	.	S	Bend	trans	-79	29.1	176.5	-159.9	99.1	0	0	0	112.8	K639 V641	N568-K639 HydrophobicContact CB-CB 4Å; N568-K639 HydrophobicContact CB-CD 4.12Å; N568-K639 HydrophobicContact CB-CG 4.33Å; N568-K639 PolarHBondContact N-O 2.82Å; N568-V641 HydrophobicContact CB-CG2 3.93Å
569	S	72.7	Confident	77.9	Confident	30 Å²	30	66.8 Å²	66.8	21%	0.21	34%	0.34	C	S	.	.	S	Bend	trans	-111.9	126.1	-172.8	-32.3	0	0	0	0	109.3	T567 S571 P603	T567-S569 PolarHBondContact O-N 3.38Å; T567-S569 WeakPolarHBondContact OG1-CB 3.29Å; T567-S569 PolarHBondContact OG1-OG 2.64Å; S569-S571 PolarHBondContact O-N 3.4Å; S569-S571 VanDerWaalsContact O-N 3.07Å; S569-P603 VanDerWaalsContact O-CA 3.29Å; S569-P603 WeakPolarHBondContact O-CA 3.45Å; S569-P603 VanDerWaalsContact O-CB 3.25Å; S569-P603 WeakPolarHBondContact O-CB 3.46Å
570	D	61.4	Low	79.7	Confident	149 Å²	149	61.4 Å²	61.4	80%	0.797	31%	0.311	S	S	*	.	S	Bend	trans	-55.2	-30.3	179.1	-73.3	-65.9	0	0	0	112.9
571	S	72.7	Confident	81.1	Confident	86 Å²	86	53 Å²	53	60%	0.601	28%	0.279	S	S	*	.	S	Bend	trans	-143.7	137.7	161.3	57	0	0	0	0	111.1	S569	S569-S571 PolarHBondContact O-N 3.4Å; S569-S571 VanDerWaalsContact O-N 3.07Å
572	L	80.3	Confident	82	Confident	11 Å²	11	50.4 Å²	50.4	6%	0.058	27%	0.269	C	S	.	.			trans	-95.3	127.5	171	-176.9	62.4	0	0	0	108.5	T567 R576 A577 V600 G602 M605 L638	T567-L572 HydrophobicContact CG2-CD1 4.47Å; T567-L572 HydrophobicContact CG2-CD2 4.1Å; L572-R576 HydrophobicContact CD1-CB 3.85Å; L572-A577 HydrophobicContact CD2-CB 3.92Å; L572-A577 HydrophobicContact CG-CB 4.16Å; L572-V600 HydrophobicContact CB-CG1 3.81Å; L572-V600 HydrophobicContact CD2-CG1 4.08Å; L572-V600 HydrophobicContact CG-CG1 4.02Å; L572-V600 WeakPolarHBondContact O-CG1 3.49Å; L572-G602 WeakPolarHBondContact CB-O 3.16Å; L572-G602 PolarHBondContact N-O 3.4Å; L572-M605 HydrophobicContact CD2-CB 4.25Å; L572-M605 HydrophobicContact CD2-CG 4.42Å; L572-M605 HydrophobicContact CD2-SD 4.42Å; L572-L638 HydrophobicContact CD1-CD1 3.83Å; L572-L638 HydrophobicContact CD1-CD2 3.94Å
573	T	83	Confident	82.3	Confident	66 Å²	66	53 Å²	53	41%	0.405	28%	0.278	S	S	.	.			trans	-83.6	148.2	174.9	56.6	0	0	0	0	110.7	D575 R576 A577	T573-D575 VanDerWaalsContact C-N 3.26Å; T573-D575 PolarHBondContact O-N 3.05Å; T573-R576 PolarHBondContact O-N 2.85Å; T573-R576 WeakPolarHBondContact OG1-CG 3.47Å; T573-A577 PolarHBondContact O-N 2.82Å
574	N	82.7	Confident	82.4	Confident	107 Å²	107	53 Å²	53	57%	0.572	28%	0.279	S	S	*	.	H	α-helix	trans	-53	-42.9	-179.2	-71.7	-13.6	0	0	0	112.4	R576 A577 S578 V600	N574-R576 VanDerWaalsContact C-N 3.27Å; N574-R576 PolarHBondContact O-N 3.39Å; N574-A577 WeakPolarHBondContact O-CB 3.47Å; N574-A577 PolarHBondContact O-N 2.93Å; N574-A577 VanDerWaalsContact O-N 3.16Å; N574-S578 PolarHBondContact O-N 3.39Å; N574-S578 PolarHBondContact O-OG 2.9Å; N574-V600 WeakPolarHBondContact OD1-CG2 3.31Å
575	D	82.6	Confident	82.3	Confident	129 Å²	129	50.9 Å²	50.9	69%	0.69	27%	0.271	S	S	*	.	H	α-helix	trans	-62.5	-34.9	-179	-38.2	-57.1	0	0	0	112.4	T573 D579	T573-D575 VanDerWaalsContact C-N 3.26Å; T573-D575 PolarHBondContact O-N 3.05Å; D575-D579 PolarHBondContact O-N 3.47Å
576	R	84.4	Confident	82.2	Confident	153 Å²	153	57.3 Å²	57.3	58%	0.577	30%	0.301	S	S	*	.	H	α-helix	trans	-77.9	-32.9	176.6	-73.4	-177.4	173.5	-159.5	-1.9	112.5	L572 T573 N574 L580 L638	L572-R576 HydrophobicContact CD1-CB 3.85Å; T573-R576 PolarHBondContact O-N 2.85Å; T573-R576 WeakPolarHBondContact OG1-CG 3.47Å; N574-R576 VanDerWaalsContact C-N 3.27Å; N574-R576 PolarHBondContact O-N 3.39Å; R576-L580 WeakPolarHBondContact O-CB 3.33Å; R576-L580 PolarHBondContact O-N 3Å; R576-L580 VanDerWaalsContact O-N 3.13Å; R576-L638 HydrophobicContact CB-CD1 4.32Å
577	A	83.4	Confident	82.1	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-66.1	-39.5	170.3	0	0	0	0	0	111.4	L572 T573 N574 M581 V600 M605	L572-A577 HydrophobicContact CD2-CB 3.92Å; L572-A577 HydrophobicContact CG-CB 4.16Å; T573-A577 PolarHBondContact O-N 2.82Å; N574-A577 WeakPolarHBondContact O-CB 3.47Å; N574-A577 PolarHBondContact O-N 2.93Å; N574-A577 VanDerWaalsContact O-N 3.16Å; A577-M581 VanDerWaalsContact O-CB 3.24Å; A577-M581 WeakPolarHBondContact O-CB 3.43Å; A577-M581 PolarHBondContact O-N 3.49Å; A577-V600 HydrophobicContact CB-CG2 3.44Å; A577-V600 VanDerWaalsContact CB-CG2 3.44Å; A577-M605 HydrophobicContact CB-SD 3.79Å
578	S	84.1	Confident	81.9	Confident	48 Å²	48	61.9 Å²	61.9	34%	0.336	32%	0.321	S	S	.	.	H	α-helix	trans	-65.1	-48.2	174.3	-62.9	0	0	0	0	112.3	N574 L580 M581 D582	N574-S578 PolarHBondContact O-N 3.39Å; N574-S578 PolarHBondContact O-OG 2.9Å; S578-L580 VanDerWaalsContact C-N 3.32Å; S578-L580 PolarHBondContact O-N 3.28Å; S578-M581 CarbonylContact O-C 3.6Å; S578-M581 PolarHBondContact O-N 3.08Å; S578-D582 PolarHBondContact O-N 3.36Å
579	D	86.2	Confident	82	Confident	60 Å²	60	60.9 Å²	60.9	32%	0.321	32%	0.321	S	S	.	.	H	α-helix	trans	-60.1	-40.3	176.8	179.6	84	0	0	0	112.5	D575 M581 R583	D575-D579 PolarHBondContact O-N 3.47Å; D579-M581 VanDerWaalsContact C-N 3.35Å; D579-R583 VanDerWaalsContact CG-NE 3.33Å; D579-R583 WeakPolarHBondContact O-CB 3.08Å; D579-R583 VanDerWaalsContact O-CG 3.23Å; D579-R583 WeakPolarHBondContact O-CG 3.45Å; D579-R583 PolarHBondContact O-N 3.38Å; D579-R583 VanDerWaalsContact O-N 3.15Å; D579-R583 IonicContact OD1-CZ 3.93Å; D579-R583 IonicContact OD1-NE 2.73Å; D579-R583 PolarHBondContact OD1-NE 2.96Å; D579-R583 IonicContact OD1-NH2 3.34Å; D579-R583 PolarHBondContact OD1-NH2 3.04Å; D579-R583 IonicContact OD2-CZ 3.29Å; D579-R583 IonicContact OD2-NE 3.36Å; D579-R583 PolarHBondContact OD2-NE 3.49Å; D579-R583 IonicContact OD2-NH2 3.42Å; D579-R583 PolarHBondContact OD2-NH2 2.72Å
580	L	86.9	Confident	82.4	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-62.4	-40.5	172.1	177.1	62.3	0	0	0	112.2	I565 R576 S578 L584 M605 L632 T636 L638	I565-L580 HydrophobicContact CG2-CD2 4.28Å; R576-L580 WeakPolarHBondContact O-CB 3.33Å; R576-L580 PolarHBondContact O-N 3Å; R576-L580 VanDerWaalsContact O-N 3.13Å; S578-L580 VanDerWaalsContact C-N 3.32Å; S578-L580 PolarHBondContact O-N 3.28Å; L580-L584 HydrophobicContact CG-CD1 4.39Å; L580-L584 WeakPolarHBondContact O-CG 3.32Å; L580-L584 PolarHBondContact O-N 2.85Å; L580-M605 HydrophobicContact CD2-CE 3.57Å; L580-M605 HydrophobicContact CD2-SD 4.17Å; L580-M605 HydrophobicContact CG-CE 3.88Å; L580-L632 HydrophobicContact CD1-CD2 4.37Å; L580-T636 HydrophobicContact CB-CG2 4.19Å; L580-T636 HydrophobicContact CD1-CG2 3.88Å; L580-L638 HydrophobicContact CB-CD1 4.1Å; L580-L638 HydrophobicContact CD2-CD1 4.04Å
581	M	87.4	Confident	83.1	Confident	1 Å²	1	59.2 Å²	59.2	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-73.8	-41.3	-179	-176.8	53.5	61.6	0	0	112.8	A577 S578 D579 R583 L584 T585 L595 L598 M605 F607 L621	A577-M581 VanDerWaalsContact O-CB 3.24Å; A577-M581 WeakPolarHBondContact O-CB 3.43Å; A577-M581 PolarHBondContact O-N 3.49Å; S578-M581 CarbonylContact O-C 3.6Å; S578-M581 PolarHBondContact O-N 3.08Å; D579-M581 VanDerWaalsContact C-N 3.35Å; M581-R583 VanDerWaalsContact C-N 3.3Å; M581-R583 PolarHBondContact O-N 2.6Å; M581-L584 HydrophobicContact CE-CD1 4.48Å; M581-L584 WeakPolarHBondContact O-CA 3.34Å; M581-L584 WeakPolarHBondContact O-CB 3.44Å; M581-L584 PolarHBondContact O-N 2.71Å; M581-T585 PolarHBondContact O-N 3.31Å; M581-T585 PolarHBondContact O-OG1 3.1Å; M581-T585 HydrophobicContact SD-CG2 4.19Å; M581-L595 HydrophobicContact CG-CD1 3.32Å; M581-L595 HydrophobicContact SD-CD1 3.67Å; M581-L595 HydrophobicContact SD-CD2 4.07Å; M581-L598 HydrophobicContact CE-CD1 4.2Å; M581-L598 HydrophobicContact CG-CD2 4.39Å; M581-M605 HydrophobicContact CE-CE 3.71Å; M581-F607 HydrophobicContact CE-CB 3.96Å; M581-F607 HydrophobicContact CE-CD1 3.48Å; M581-F607 VanDerWaalsContact CE-CD1 3.48Å; M581-F607 HydrophobicContact CE-CD2 4.07Å; M581-F607 HydrophobicContact CE-CE1 3.91Å; M581-F607 HydrophobicContact CE-CE2 4.45Å; M581-F607 HydrophobicContact CE-CG 3.56Å; M581-F607 HydrophobicContact CE-CZ 4.36Å; M581-L621 HydrophobicContact CE-CD2 4.1Å; M581-L621 HydrophobicContact SD-CD2 3.75Å
582	D	87	Confident	82.9	Confident	51 Å²	51	58.4 Å²	58.4	27%	0.273	30%	0.296	S	S	.	.	H	α-helix	trans	-64.7	-35.2	175.8	-75.6	-36.4	0	0	0	111.3	S578 L584 T585 Q586 T592	S578-D582 PolarHBondContact O-N 3.36Å; D582-L584 VanDerWaalsContact C-N 3.28Å; D582-L584 PolarHBondContact O-N 3.23Å; D582-T585 WeakPolarHBondContact CA-OG1 3.4Å; D582-T585 PolarHBondContact O-OG1 2.93Å; D582-Q586 WeakPolarHBondContact O-CB 3.44Å; D582-Q586 WeakPolarHBondContact O-CG 3.45Å; D582-Q586 PolarHBondContact O-N 3.42Å; D582-T592 WeakPolarHBondContact OD1-CB 3.38Å; D582-T592 WeakPolarHBondContact OD1-CG2 3.47Å; D582-T592 PolarHBondContact OD1-OG1 3.42Å
583	R	87.3	Confident	82.5	Confident	73 Å²	73	61.6 Å²	61.6	28%	0.275	33%	0.325	S	S	.	.	H	α-helix	trans	-69.9	-21.2	171.4	-70.9	174.1	-159.7	-73	-14.2	113.9	D579 M581 R587 L632	D579-R583 VanDerWaalsContact CG-NE 3.33Å; D579-R583 WeakPolarHBondContact O-CB 3.08Å; D579-R583 VanDerWaalsContact O-CG 3.23Å; D579-R583 WeakPolarHBondContact O-CG 3.45Å; D579-R583 PolarHBondContact O-N 3.38Å; D579-R583 VanDerWaalsContact O-N 3.15Å; D579-R583 IonicContact OD1-CZ 3.93Å; D579-R583 IonicContact OD1-NE 2.73Å; D579-R583 PolarHBondContact OD1-NE 2.96Å; D579-R583 IonicContact OD1-NH2 3.34Å; D579-R583 PolarHBondContact OD1-NH2 3.04Å; D579-R583 IonicContact OD2-CZ 3.29Å; D579-R583 IonicContact OD2-NE 3.36Å; D579-R583 PolarHBondContact OD2-NE 3.49Å; D579-R583 IonicContact OD2-NH2 3.42Å; D579-R583 PolarHBondContact OD2-NH2 2.72Å; M581-R583 VanDerWaalsContact C-N 3.3Å; M581-R583 PolarHBondContact O-N 2.6Å; R583-R587 VanDerWaalsContact O-CD 3.26Å; R583-R587 WeakPolarHBondContact O-CD 3.46Å; R583-R587 WeakPolarHBondContact O-CG 3.46Å; R583-R587 PolarHBondContact O-NH1 3.41Å; R583-L632 HydrophobicContact CB-CD2 4.18Å
584	L	85.9	Confident	82.1	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.005	32%	0.315	C	S	.	.	H	α-helix	trans	-84.3	-45	173.5	-77.4	166.4	0	0	0	111.7	I565 L580 M581 D582 Q586 R587 L588 L621 A625 L632	I565-L584 HydrophobicContact CD1-CD1 3.67Å; L580-L584 HydrophobicContact CG-CD1 4.39Å; L580-L584 WeakPolarHBondContact O-CG 3.32Å; L580-L584 PolarHBondContact O-N 2.85Å; M581-L584 HydrophobicContact CE-CD1 4.48Å; M581-L584 WeakPolarHBondContact O-CA 3.34Å; M581-L584 WeakPolarHBondContact O-CB 3.44Å; M581-L584 PolarHBondContact O-N 2.71Å; D582-L584 VanDerWaalsContact C-N 3.28Å; D582-L584 PolarHBondContact O-N 3.23Å; L584-Q586 PolarHBondContact O-N 3Å; L584-R587 PolarHBondContact O-N 2.76Å; L584-L588 PolarHBondContact O-N 3.39Å; L584-L621 HydrophobicContact CB-CD2 4.42Å; L584-A625 HydrophobicContact CD1-CB 4.15Å; L584-A625 HydrophobicContact CD2-CB 3.64Å; L584-L632 HydrophobicContact CD2-CD1 3.54Å; L584-L632 HydrophobicContact CD2-CD2 3.86Å; L584-L632 HydrophobicContact CD2-CG 4.36Å; L584-L632 HydrophobicContact CG-CD1 4.43Å; L584-L632 HydrophobicContact CG-CD2 3.95Å
585	T	85.3	Confident	81.9	Confident	1 Å²	1	56.3 Å²	56.3	1%	0.006	29%	0.294	C	S	.	.	H	α-helix	trans	-65.5	-37.8	177.9	54.1	0	0	0	0	111.7	M581 D582 R587 L588 S589 L590 L595 L621	M581-T585 PolarHBondContact O-N 3.31Å; M581-T585 PolarHBondContact O-OG1 3.1Å; M581-T585 HydrophobicContact SD-CG2 4.19Å; D582-T585 WeakPolarHBondContact CA-OG1 3.4Å; D582-T585 PolarHBondContact O-OG1 2.93Å; T585-R587 VanDerWaalsContact C-N 3.34Å; T585-R587 PolarHBondContact O-N 3.23Å; T585-L588 CarbonylContact O-C 3.56Å; T585-L588 PolarHBondContact O-N 3.41Å; T585-S589 CarbonylContact O-C 3.51Å; T585-S589 WeakPolarHBondContact O-CA 3.49Å; T585-S589 PolarHBondContact O-N 2.86Å; T585-L590 HydrophobicContact CG2-CB 4.42Å; T585-L590 PolarHBondContact O-N 3.32Å; T585-L595 HydrophobicContact CG2-CD1 3.86Å; T585-L595 HydrophobicContact CG2-CD2 4.4Å; T585-L595 HydrophobicContact CG2-CG 4.22Å; T585-L621 HydrophobicContact CG2-CD1 4.26Å
586	Q	85.9	Confident	81.2	Confident	135 Å²	135	54 Å²	54	63%	0.631	29%	0.285	S	S	*	.	H	α-helix	trans	-58.1	-41.4	174.6	-77.3	171.5	24.9	0	0	113	D582 L584 S589	D582-Q586 WeakPolarHBondContact O-CB 3.44Å; D582-Q586 WeakPolarHBondContact O-CG 3.45Å; D582-Q586 PolarHBondContact O-N 3.42Å; L584-Q586 PolarHBondContact O-N 3Å; Q586-S589 WeakPolarHBondContact O-CA 3.29Å; Q586-S589 PolarHBondContact O-N 2.84Å; Q586-S589 PolarHBondContact O-OG 2.94Å
587	R	82.3	Confident	80.6	Confident	55 Å²	55	50.7 Å²	50.7	21%	0.208	28%	0.276	C	S	.	.	H	α-helix	trans	-61.3	-45.6	179.7	-74.6	166.8	157.9	77.6	8.9	112.5	R583 L584 T585 S589 E628 Q631 E635	R583-R587 VanDerWaalsContact O-CD 3.26Å; R583-R587 WeakPolarHBondContact O-CD 3.46Å; R583-R587 WeakPolarHBondContact O-CG 3.46Å; R583-R587 PolarHBondContact O-NH1 3.41Å; L584-R587 PolarHBondContact O-N 2.76Å; T585-R587 VanDerWaalsContact C-N 3.34Å; T585-R587 PolarHBondContact O-N 3.23Å; R587-S589 PolarHBondContact O-N 2.82Å; R587-E628 WeakPolarHBondContact CD-OE2 3.27Å; R587-E628 IonicContact CZ-OE2 2.79Å; R587-E628 IonicContact NE-OE2 2.71Å; R587-E628 PolarHBondContact NE-OE2 2.95Å; R587-E628 IonicContact NH2-OE2 2.91Å; R587-Q631 VanDerWaalsContact NH2-NE2 3.19Å; R587-E635 IonicContact CZ-OE1 3.93Å; R587-E635 IonicContact CZ-OE2 2.78Å; R587-E635 IonicContact NH1-OE1 3.63Å; R587-E635 IonicContact NH1-OE2 2.82Å; R587-E635 PolarHBondContact NH1-OE2 3.27Å; R587-E635 IonicContact NH2-OE1 3.61Å; R587-E635 PolarHBondContact NH2-OE1 3.42Å; R587-E635 IonicContact NH2-OE2 3.82Å; R587-E635 PolarHBondContact NH2-OE2 3.3Å
588	L	81.1	Confident	80.5	Confident	50 Å²	50	54 Å²	54	26%	0.262	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	1	173.3	-68.9	165.4	0	0	0	112.8	L584 T585 L590 V616 L621 A624	L584-L588 PolarHBondContact O-N 3.39Å; T585-L588 CarbonylContact O-C 3.56Å; T585-L588 PolarHBondContact O-N 3.41Å; L588-L590 VanDerWaalsContact C-N 3.25Å; L588-L590 HydrophobicContact CB-CD1 4.48Å; L588-L590 HydrophobicContact CB-CG 4.37Å; L588-L590 PolarHBondContact O-N 2.86Å; L588-V616 HydrophobicContact CD1-CG1 4.14Å; L588-L621 HydrophobicContact CD1-CB 4.03Å; L588-L621 HydrophobicContact CD1-CD1 3.88Å; L588-L621 HydrophobicContact CD1-CG 4.03Å; L588-A624 HydrophobicContact CD1-CB 3.82Å; L588-A624 HydrophobicContact CG-CB 4.19Å
589	S	80.3	Confident	80.2	Confident	72 Å²	72	53.9 Å²	53.9	50%	0.503	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	50	44.6	-177.5	-63.6	0	0	0	0	113	T585 Q586 R587 K614	T585-S589 CarbonylContact O-C 3.51Å; T585-S589 WeakPolarHBondContact O-CA 3.49Å; T585-S589 PolarHBondContact O-N 2.86Å; Q586-S589 WeakPolarHBondContact O-CA 3.29Å; Q586-S589 PolarHBondContact O-N 2.84Å; Q586-S589 PolarHBondContact O-OG 2.94Å; R587-S589 PolarHBondContact O-N 2.82Å; S589-K614 PolarHBondContact O-NZ 2.89Å
590	L	80.6	Confident	80.1	Confident	15 Å²	15	52.4 Å²	52.4	8%	0.079	29%	0.285	C	S	.	.			trans	-91.2	159.5	167.1	-68.1	176	0	0	0	110.2	T585 L588 V609 N612 V616 L621	T585-L590 HydrophobicContact CG2-CB 4.42Å; T585-L590 PolarHBondContact O-N 3.32Å; L588-L590 VanDerWaalsContact C-N 3.25Å; L588-L590 HydrophobicContact CB-CD1 4.48Å; L588-L590 HydrophobicContact CB-CG 4.37Å; L588-L590 PolarHBondContact O-N 2.86Å; L590-V609 HydrophobicContact CD1-CG1 4.16Å; L590-N612 HydrophobicContact CD2-CB 3.83Å; L590-N612 WeakPolarHBondContact CD2-OD1 3.38Å; L590-V616 HydrophobicContact CD1-CB 4.07Å; L590-V616 HydrophobicContact CD1-CG1 3.96Å; L590-V616 HydrophobicContact CD2-CB 4.09Å; L590-V616 HydrophobicContact CD2-CG2 4.05Å; L590-V616 HydrophobicContact CG-CB 4.43Å; L590-V616 HydrophobicContact CG-CG2 4.47Å; L590-L621 HydrophobicContact CD1-CD1 3.72Å
591	H	75.8	Confident	79.3	Confident	130 Å²	130	55.4 Å²	55.4	60%	0.602	30%	0.301	S	S	*	.			trans	-92.7	147.3	172.7	-161.1	-109	0	0	0	110.2	A593 D594	H591-A593 WeakPolarHBondContact ND1-CB 3.39Å; H591-A593 PolarHBondContact ND1-N 3.38Å; H591-A593 PolarHBondContact O-N 3.22Å; H591-D594 PolarHBondContact N-OD2 2.76Å; H591-D594 VanDerWaalsContact O-CB 3.28Å; H591-D594 WeakPolarHBondContact O-CB 3.42Å; H591-D594 PolarHBondContact O-N 2.8Å
592	T	69.1	Low	79	Confident	68 Å²	68	57.1 Å²	57.1	42%	0.417	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-60.9	-22.1	178.3	-41.2	0	0	0	0	112.3	D582 D594 L595	D582-T592 WeakPolarHBondContact OD1-CB 3.38Å; D582-T592 WeakPolarHBondContact OD1-CG2 3.47Å; D582-T592 PolarHBondContact OD1-OG1 3.42Å; T592-D594 VanDerWaalsContact C-N 3.3Å; T592-D594 PolarHBondContact O-N 3.38Å; T592-L595 HydrophobicContact CG2-CD1 4.28Å; T592-L595 WeakPolarHBondContact O-CB 3.42Å; T592-L595 PolarHBondContact O-N 2.83Å
593	A	70.9	Confident	78.7	Confident	79 Å²	79	55.8 Å²	55.8	65%	0.653	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-72.7	-14.6	172.3	0	0	0	0	0	114.6	H591 L595	H591-A593 WeakPolarHBondContact ND1-CB 3.39Å; H591-A593 PolarHBondContact ND1-N 3.38Å; H591-A593 PolarHBondContact O-N 3.22Å; A593-L595 PolarHBondContact O-N 3.08Å
594	D	75.1	Confident	78.3	Confident	36 Å²	36	52.4 Å²	52.4	19%	0.193	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-77.2	-8.5	174.6	-57.1	-35	0	0	0	111.6	H591 T592 T596 G610 N612	H591-D594 PolarHBondContact N-OD2 2.76Å; H591-D594 VanDerWaalsContact O-CB 3.28Å; H591-D594 WeakPolarHBondContact O-CB 3.42Å; H591-D594 PolarHBondContact O-N 2.8Å; T592-D594 VanDerWaalsContact C-N 3.3Å; T592-D594 PolarHBondContact O-N 3.38Å; D594-T596 PolarHBondContact O-N 3.04Å; D594-G610 PolarHBondContact O-N 2.88Å; D594-N612 HydrophobicContact CB-CB 4.19Å
595	L	78.5	Confident	78.4	Confident	26 Å²	26	52.3 Å²	52.3	14%	0.136	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	109	175.3	-63.7	170	0	0	0	110.3	M581 T585 T592 A593 V609	M581-L595 HydrophobicContact CG-CD1 3.32Å; M581-L595 HydrophobicContact SD-CD1 3.67Å; M581-L595 HydrophobicContact SD-CD2 4.07Å; T585-L595 HydrophobicContact CG2-CD1 3.86Å; T585-L595 HydrophobicContact CG2-CD2 4.4Å; T585-L595 HydrophobicContact CG2-CG 4.22Å; T592-L595 HydrophobicContact CG2-CD1 4.28Å; T592-L595 WeakPolarHBondContact O-CB 3.42Å; T592-L595 PolarHBondContact O-N 2.83Å; A593-L595 PolarHBondContact O-N 3.08Å; L595-V609 HydrophobicContact CD2-CG2 4.12Å
596	T	68.8	Low	78.4	Confident	81 Å²	81	53.1 Å²	53.1	50%	0.497	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	-20	-176.4	53.5	0	0	0	0	114	D594 R608	D594-T596 PolarHBondContact O-N 3.04Å; T596-R608 PolarHBondContact N-O 2.64Å; T596-R608 WeakPolarHBondContact OG1-CD 3.39Å; T596-R608 WeakPolarHBondContact OG1-CG 3.43Å; T596-R608 PolarHBondContact OG1-O 3.31Å
597	Q	71.3	Confident	78.5	Confident	83 Å²	83	46.7 Å²	46.7	39%	0.388	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	134.8	177.6	-163.6	166.7	-7.9	0	0	108.8	F607 R608	Q597-F607 CarbonylContact O-C 3.52Å; Q597-F607 WeakPolarHBondContact O-CA 3.46Å; Q597-R608 HydrophobicContact CB-CB 4.18Å; Q597-R608 PolarHBondContact O-N 3.08Å
598	L	81.1	Confident	78.6	Confident	68 Å²	68	47.1 Å²	47.1	36%	0.356	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	131.7	170.7	178	63.9	0	0	0	107.5	M581 M605 T606 F607	M581-L598 HydrophobicContact CE-CD1 4.2Å; M581-L598 HydrophobicContact CG-CD2 4.39Å; L598-M605 HydrophobicContact CD1-SD 4.43Å; L598-T606 CarbonylContact C-O 3.52Å; L598-T606 WeakPolarHBondContact CA-O 3.31Å; L598-F607 HydrophobicContact CD1-CB 3.95Å
599	S	78.4	Confident	78.8	Confident	47 Å²	47	45.2 Å²	45.2	33%	0.329	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	146.2	-178	-169.1	0	0	0	0	110.6	M605 T606	S599-M605 CarbonylContact O-C 3.56Å; S599-M605 WeakPolarHBondContact O-CA 3.45Å; S599-M605 WeakPolarHBondContact O-CB 3.44Å; S599-T606 PolarHBondContact N-O 2.96Å; S599-T606 PolarHBondContact O-N 3.49Å
600	V	82.4	Confident	78.8	Confident	28 Å²	28	42.3 Å²	42.3	17%	0.17	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	128.8	-178.9	-168.8	0	0	0	0	109.4	L572 N574 A577 M605	L572-V600 HydrophobicContact CB-CG1 3.81Å; L572-V600 HydrophobicContact CD2-CG1 4.08Å; L572-V600 HydrophobicContact CG-CG1 4.02Å; L572-V600 WeakPolarHBondContact O-CG1 3.49Å; N574-V600 WeakPolarHBondContact OD1-CG2 3.31Å; A577-V600 HydrophobicContact CB-CG2 3.44Å; A577-V600 VanDerWaalsContact CB-CG2 3.44Å; V600-M605 HydrophobicContact CG2-CB 4.2Å
601	L	71.3	Confident	78.6	Confident	64 Å²	64	48.1 Å²	48.1	34%	0.335	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	88.7	-173.4	-64.9	175.9	0	0	0	109.1	V548 V550 P603 A604	V548-L601 HydrophobicContact CG1-CD2 4.35Å; V550-L601 HydrophobicContact CG2-CD1 4.16Å; L601-P603 WeakPolarHBondContact O-CD 3.26Å; L601-A604 CarbonylContact C-O 3.54Å; L601-A604 PolarHBondContact N-O 2.85Å; L601-A604 PolarHBondContact O-N 3.18Å
602	G	80.6	Confident	78.9	Confident	37 Å²	37	42.5 Å²	42.5	38%	0.381	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.7	-119.4	-179.1	0	0	0	0	0	111.7	L572 A604	L572-G602 WeakPolarHBondContact CB-O 3.16Å; L572-G602 PolarHBondContact N-O 3.4Å; G602-A604 VanDerWaalsContact C-N 3.29Å; G602-A604 PolarHBondContact O-N 2.74Å
603	P	80.6	Confident	79.2	Confident	22 Å²	22	45.2 Å²	45.2	14%	0.143	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-16.9	178.9	30.8	-36.3	0	0	0	114.2	I566 T567 S569 L601 V656	I566-P603 HydrophobicContact CG2-CB 4.34Å; T567-P603 PolarHBondContact N-O 2.85Å; T567-P603 PolarHBondContact OG1-O 3.21Å; S569-P603 VanDerWaalsContact O-CA 3.29Å; S569-P603 WeakPolarHBondContact O-CA 3.45Å; S569-P603 VanDerWaalsContact O-CB 3.25Å; S569-P603 WeakPolarHBondContact O-CB 3.46Å; L601-P603 WeakPolarHBondContact O-CD 3.26Å; P603-V656 HydrophobicContact CG-CG1 4.04Å; P603-V656 HydrophobicContact CG-CG2 3.69Å
604	A	79.6	Confident	79.4	Confident	2 Å²	2	47 Å²	47	2%	0.017	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	152.4	-169.2	0	0	0	0	0	112.8	I565 I566 L601 G602 I654	I565-A604 CarbonylContact O-C 3.56Å; I565-A604 VanDerWaalsContact O-CA 3.32Å; I565-A604 WeakPolarHBondContact O-CA 3.03Å; I566-A604 HydrophobicContact CB-CB 4.45Å; I566-A604 HydrophobicContact CG1-CB 4.15Å; I566-A604 HydrophobicContact CG2-CB 4.4Å; L601-A604 CarbonylContact C-O 3.54Å; L601-A604 PolarHBondContact N-O 2.85Å; L601-A604 PolarHBondContact O-N 3.18Å; G602-A604 VanDerWaalsContact C-N 3.29Å; G602-A604 PolarHBondContact O-N 2.74Å; A604-I654 HydrophobicContact CB-CD1 4.26Å
605	M	87.3	Confident	79.7	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	147.8	167.5	68	177.9	-165.8	0	0	111	Y564 I565 L572 A577 L580 M581 L598 S599 V600	Y564-M605 CarbonylContact C-O 3.53Å; Y564-M605 VanDerWaalsContact CA-O 3.26Å; Y564-M605 WeakPolarHBondContact CA-O 3.21Å; I565-M605 HydrophobicContact CB-CE 4.07Å; I565-M605 HydrophobicContact CB-CG 4.2Å; I565-M605 HydrophobicContact CD1-CE 3.68Å; I565-M605 HydrophobicContact CG1-CE 4.4Å; I565-M605 HydrophobicContact CG2-CE 4.44Å; I565-M605 PolarHBondContact N-O 3.42Å; I565-M605 PolarHBondContact O-N 2.97Å; L572-M605 HydrophobicContact CD2-CB 4.25Å; L572-M605 HydrophobicContact CD2-CG 4.42Å; L572-M605 HydrophobicContact CD2-SD 4.42Å; A577-M605 HydrophobicContact CB-SD 3.79Å; L580-M605 HydrophobicContact CD2-CE 3.57Å; L580-M605 HydrophobicContact CD2-SD 4.17Å; L580-M605 HydrophobicContact CG-CE 3.88Å; M581-M605 HydrophobicContact CE-CE 3.71Å; L598-M605 HydrophobicContact CD1-SD 4.43Å; S599-M605 CarbonylContact O-C 3.56Å; S599-M605 WeakPolarHBondContact O-CA 3.45Å; S599-M605 WeakPolarHBondContact O-CB 3.44Å; V600-M605 HydrophobicContact CG2-CB 4.2Å
606	T	86.1	Confident	79.8	Confident	18 Å²	18	51.9 Å²	51.9	11%	0.11	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	145	176.2	62.2	0	0	0	0	110.6	G563 L598 S599 L651	G563-T606 CarbonylContact O-C 3.58Å; G563-T606 VanDerWaalsContact O-CA 3.24Å; G563-T606 WeakPolarHBondContact O-CA 3.34Å; L598-T606 CarbonylContact C-O 3.52Å; L598-T606 WeakPolarHBondContact CA-O 3.31Å; S599-T606 PolarHBondContact N-O 2.96Å; S599-T606 PolarHBondContact O-N 3.49Å; T606-L651 HydrophobicContact CG2-CD1 4.43Å; T606-L651 HydrophobicContact CG2-CD2 3.89Å
607	F	87.4	Confident	80.5	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	164.4	-174.4	60.9	-91.4	0	0	0	113.6	G563 I565 M581 Q597 L598 T618 L621 V622	G563-F607 PolarHBondContact N-O 3.36Å; G563-F607 PolarHBondContact O-N 2.95Å; I565-F607 HydrophobicContact CD1-CE1 3.81Å; I565-F607 HydrophobicContact CD1-CZ 4.31Å; I565-F607 HydrophobicContact CG1-CE1 4.02Å; M581-F607 HydrophobicContact CE-CB 3.96Å; M581-F607 HydrophobicContact CE-CD1 3.48Å; M581-F607 VanDerWaalsContact CE-CD1 3.48Å; M581-F607 HydrophobicContact CE-CD2 4.07Å; M581-F607 HydrophobicContact CE-CE1 3.91Å; M581-F607 HydrophobicContact CE-CE2 4.45Å; M581-F607 HydrophobicContact CE-CG 3.56Å; M581-F607 HydrophobicContact CE-CZ 4.36Å; Q597-F607 CarbonylContact O-C 3.52Å; Q597-F607 WeakPolarHBondContact O-CA 3.46Å; L598-F607 HydrophobicContact CD1-CB 3.95Å; F607-T618 HydrophobicContact CD2-CG2 4.08Å; F607-T618 HydrophobicContact CE2-CG2 3.94Å; F607-L621 HydrophobicContact CD2-CD2 3.91Å; F607-L621 HydrophobicContact CE2-CB 4.22Å; F607-L621 HydrophobicContact CE2-CD2 3.34Å; F607-L621 HydrophobicContact CE2-CG 4.39Å; F607-L621 HydrophobicContact CZ-CD2 3.77Å; F607-V622 HydrophobicContact CE1-CG2 4.47Å; F607-V622 HydrophobicContact CE2-CG2 4.12Å; F607-V622 HydrophobicContact CZ-CG2 3.56Å
608	R	85	Confident	81.2	Confident	63 Å²	63	48 Å²	48	24%	0.238	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	124.1	175.8	-177.5	-173.3	171.7	131.9	9.7	111.9	D559 F562 T596 Q597	D559-R608 VanDerWaalsContact O-CZ 3.32Å; D559-R608 PolarHBondContact O-NH1 3.03Å; D559-R608 PolarHBondContact O-NH2 2.88Å; F562-R608 HydrophobicContact CD1-CB 4.04Å; F562-R608 HydrophobicContact CE1-CB 4.05Å; T596-R608 PolarHBondContact N-O 2.64Å; T596-R608 WeakPolarHBondContact OG1-CD 3.39Å; T596-R608 WeakPolarHBondContact OG1-CG 3.43Å; T596-R608 PolarHBondContact OG1-O 3.31Å; Q597-R608 HydrophobicContact CB-CB 4.18Å; Q597-R608 PolarHBondContact O-N 3.08Å
609	V	85.6	Confident	81.3	Confident	11 Å²	11	46.9 Å²	46.9	7%	0.067	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	136.6	171.2	-175.3	0	0	0	0	109.6	L590 L595 V616 T618 L621	L590-V609 HydrophobicContact CD1-CG1 4.16Å; L595-V609 HydrophobicContact CD2-CG2 4.12Å; V609-V616 WeakPolarHBondContact CG1-O 3.24Å; V609-T618 PolarHBondContact N-OG1 3.29Å; V609-T618 VanDerWaalsContact N-OG1 3.17Å; V609-L621 HydrophobicContact CG2-CB 4.14Å; V609-L621 HydrophobicContact CG2-CD1 4.2Å
610	G	79.9	Confident	81.5	Confident	10 Å²	10	47.7 Å²	47.7	10%	0.103	28%	0.283	C	S	.	.			trans	-94.9	-178.6	175.2	0	0	0	0	0	113.6	D594 N612	D594-G610 PolarHBondContact O-N 2.88Å; G610-N612 PolarHBondContact O-N 3.48Å; G610-N612 VanDerWaalsContact O-N 3.12Å; G610-N612 PolarHBondContact O-ND2 3.44Å
611	P	76.9	Confident	81.7	Confident	138 Å²	138	46.3 Å²	46.3	90%	0.896	28%	0.275	S	S	*	.			trans	-60.8	114.8	173.5	-18.9	32.1	0	0	0	110.4
612	N	80.6	Confident	82.4	Confident	11 Å²	11	43.7 Å²	43.7	6%	0.059	26%	0.262	C	S	.	.			trans	-124.7	155	-177	61.6	83.5	0	0	0	109.8	L590 D594 G610 K614 N615 V616	L590-N612 HydrophobicContact CD2-CB 3.83Å; L590-N612 WeakPolarHBondContact CD2-OD1 3.38Å; D594-N612 HydrophobicContact CB-CB 4.19Å; G610-N612 PolarHBondContact O-N 3.48Å; G610-N612 VanDerWaalsContact O-N 3.12Å; G610-N612 PolarHBondContact O-ND2 3.44Å; N612-K614 PolarHBondContact O-N 3.03Å; N612-K614 PolarHBondContact OD1-N 3.11Å; N612-N615 PolarHBondContact O-N 3.45Å; N612-N615 VanDerWaalsContact O-N 3.09Å; N612-N615 PolarHBondContact OD1-N 3.45Å; N612-N615 VanDerWaalsContact OD1-N 3.1Å; N612-V616 PolarHBondContact ND2-O 3.03Å; N612-V616 PolarHBondContact OD1-N 3.06Å
613	P	75.2	Confident	82.6	Confident	126 Å²	126	47.4 Å²	47.4	82%	0.818	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	0.9	-173.8	27.6	-36.7	0	0	0	115.1
614	K	76	Confident	82.9	Confident	115 Å²	115	46.9 Å²	46.9	50%	0.5	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.7	2.3	178.3	-67.6	176.6	179.1	174.4	0	113.2	S589 N612 V616	S589-K614 PolarHBondContact O-NZ 2.89Å; N612-K614 PolarHBondContact O-N 3.03Å; N612-K614 PolarHBondContact OD1-N 3.11Å; K614-V616 HydrophobicContact CB-CG2 3.78Å; K614-V616 PolarHBondContact O-N 2.72Å; K614-V616 VanDerWaalsContact O-N 3.15Å
615	N	80.2	Confident	83.1	Confident	144 Å²	144	46.8 Å²	46.8	77%	0.77	27%	0.266	S	S	*	.			trans	54.7	23.1	-176.2	-62.5	-24.9	0	0	0	114.9	N612 T617	N612-N615 PolarHBondContact O-N 3.45Å; N612-N615 VanDerWaalsContact O-N 3.09Å; N612-N615 PolarHBondContact OD1-N 3.45Å; N612-N615 VanDerWaalsContact OD1-N 3.1Å; N615-T617 PolarHBondContact O-N 3.26Å
616	V	81.8	Confident	83.1	Confident	22 Å²	22	50.7 Å²	50.7	13%	0.133	29%	0.289	C	S	.	.			trans	-69.4	130.5	179.3	-174.8	0	0	0	0	109.2	L588 L590 V609 N612 K614 D620	L588-V616 HydrophobicContact CD1-CG1 4.14Å; L590-V616 HydrophobicContact CD1-CB 4.07Å; L590-V616 HydrophobicContact CD1-CG1 3.96Å; L590-V616 HydrophobicContact CD2-CB 4.09Å; L590-V616 HydrophobicContact CD2-CG2 4.05Å; L590-V616 HydrophobicContact CG-CB 4.43Å; L590-V616 HydrophobicContact CG-CG2 4.47Å; V609-V616 WeakPolarHBondContact CG1-O 3.24Å; N612-V616 PolarHBondContact ND2-O 3.03Å; N612-V616 PolarHBondContact OD1-N 3.06Å; K614-V616 HydrophobicContact CB-CG2 3.78Å; K614-V616 PolarHBondContact O-N 2.72Å; K614-V616 VanDerWaalsContact O-N 3.15Å; V616-D620 HydrophobicContact CG1-CB 3.73Å
617	T	84.1	Confident	83.1	Confident	69 Å²	69	57 Å²	57	42%	0.423	32%	0.318	S	S	.	.			trans	-94	167.5	-178	75	0	0	0	0	112.1	N615 A619 D620 L621	N615-T617 PolarHBondContact O-N 3.26Å; T617-A619 PolarHBondContact O-N 2.99Å; T617-A619 PolarHBondContact OG1-N 3.23Å; T617-D620 WeakPolarHBondContact CA-OD2 3.26Å; T617-D620 VanDerWaalsContact CB-OD2 3.26Å; T617-D620 WeakPolarHBondContact CB-OD2 3.47Å; T617-D620 WeakPolarHBondContact CG2-OD2 3.49Å; T617-D620 PolarHBondContact N-OD2 3.2Å; T617-D620 PolarHBondContact O-N 3.34Å; T617-D620 PolarHBondContact OG1-N 2.8Å; T617-D620 PolarHBondContact OG1-OD2 3.08Å; T617-L621 PolarHBondContact O-N 3.2Å
618	T	85.7	Confident	83	Confident	13 Å²	13	60.5 Å²	60.5	8%	0.08	33%	0.334	C	S	.	.	H	α-helix	trans	-58.7	-27.1	169.6	-47.5	0	0	0	0	112.4	F607 V609 V622	F607-T618 HydrophobicContact CD2-CG2 4.08Å; F607-T618 HydrophobicContact CE2-CG2 3.94Å; V609-T618 PolarHBondContact N-OG1 3.29Å; V609-T618 VanDerWaalsContact N-OG1 3.17Å; T618-V622 WeakPolarHBondContact O-CG2 3.47Å; T618-V622 PolarHBondContact O-N 2.99Å
619	A	82.2	Confident	83	Confident	44 Å²	44	60.6 Å²	60.6	36%	0.364	34%	0.336	S	S	.	.	H	α-helix	trans	-73.7	-41.2	178.2	0	0	0	0	0	112.2	T617 L621 V622 Q623 V645	T617-A619 PolarHBondContact O-N 2.99Å; T617-A619 PolarHBondContact OG1-N 3.23Å; A619-L621 VanDerWaalsContact C-N 3.27Å; A619-L621 PolarHBondContact O-N 2.82Å; A619-V622 PolarHBondContact O-N 2.94Å; A619-Q623 WeakPolarHBondContact O-CB 3.47Å; A619-Q623 PolarHBondContact O-N 3.24Å; A619-V645 HydrophobicContact CB-CG2 3.93Å
620	D	83.8	Confident	82.8	Confident	64 Å²	64	67 Å²	67	34%	0.342	37%	0.366	S	S	.	.	H	α-helix	trans	-62	-37	176.9	-54.5	-62.4	0	0	0	111.4	V616 T617 Q623 A624	V616-D620 HydrophobicContact CG1-CB 3.73Å; T617-D620 WeakPolarHBondContact CA-OD2 3.26Å; T617-D620 VanDerWaalsContact CB-OD2 3.26Å; T617-D620 WeakPolarHBondContact CB-OD2 3.47Å; T617-D620 WeakPolarHBondContact CG2-OD2 3.49Å; T617-D620 PolarHBondContact N-OD2 3.2Å; T617-D620 PolarHBondContact O-N 3.34Å; T617-D620 PolarHBondContact OG1-N 2.8Å; T617-D620 PolarHBondContact OG1-OD2 3.08Å; D620-Q623 PolarHBondContact O-N 2.62Å; D620-A624 PolarHBondContact O-N 3.1Å
621	L	85.2	Confident	83	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-70.6	-34.1	177.3	-155.9	119.5	0	0	0	113	M581 L584 T585 L588 L590 F607 V609 T617 A619 A625	M581-L621 HydrophobicContact CE-CD2 4.1Å; M581-L621 HydrophobicContact SD-CD2 3.75Å; L584-L621 HydrophobicContact CB-CD2 4.42Å; T585-L621 HydrophobicContact CG2-CD1 4.26Å; L588-L621 HydrophobicContact CD1-CB 4.03Å; L588-L621 HydrophobicContact CD1-CD1 3.88Å; L588-L621 HydrophobicContact CD1-CG 4.03Å; L590-L621 HydrophobicContact CD1-CD1 3.72Å; F607-L621 HydrophobicContact CD2-CD2 3.91Å; F607-L621 HydrophobicContact CE2-CB 4.22Å; F607-L621 HydrophobicContact CE2-CD2 3.34Å; F607-L621 HydrophobicContact CE2-CG 4.39Å; F607-L621 HydrophobicContact CZ-CD2 3.77Å; V609-L621 HydrophobicContact CG2-CB 4.14Å; V609-L621 HydrophobicContact CG2-CD1 4.2Å; T617-L621 PolarHBondContact O-N 3.2Å; A619-L621 VanDerWaalsContact C-N 3.27Å; A619-L621 PolarHBondContact O-N 2.82Å; L621-A625 PolarHBondContact O-N 3.34Å
622	V	87.1	Confident	83.3	Confident	8 Å²	8	64.8 Å²	64.8	5%	0.048	34%	0.341	C	S	.	.	H	α-helix	trans	-68.2	-42.5	168.8	169	0	0	0	0	110.9	F607 T618 A619 A624 A625 V626 G644 V645	F607-V622 HydrophobicContact CE1-CG2 4.47Å; F607-V622 HydrophobicContact CE2-CG2 4.12Å; F607-V622 HydrophobicContact CZ-CG2 3.56Å; T618-V622 WeakPolarHBondContact O-CG2 3.47Å; T618-V622 PolarHBondContact O-N 2.99Å; A619-V622 PolarHBondContact O-N 2.94Å; V622-A624 VanDerWaalsContact C-N 3.34Å; V622-A624 PolarHBondContact O-N 2.83Å; V622-A625 WeakPolarHBondContact O-CB 3.44Å; V622-A625 PolarHBondContact O-N 3.49Å; V622-A625 VanDerWaalsContact O-N 3.1Å; V622-V626 WeakPolarHBondContact O-CG2 3.47Å; V622-V626 PolarHBondContact O-N 3.48Å; V622-G644 WeakPolarHBondContact CG2-O 3.41Å; V622-V645 HydrophobicContact CB-CG2 3.92Å; V622-V645 HydrophobicContact CG1-CG2 4.09Å; V622-V645 HydrophobicContact CG2-CG2 3.89Å
623	Q	84.6	Confident	83.7	Confident	115 Å²	115	66.6 Å²	66.6	54%	0.537	35%	0.348	S	S	.	.	H	α-helix	trans	-61.5	-42.3	179	-177	172.7	-30.6	0	0	111.4	A619 D620 A625 V626 Q627	A619-Q623 WeakPolarHBondContact O-CB 3.47Å; A619-Q623 PolarHBondContact O-N 3.24Å; D620-Q623 PolarHBondContact O-N 2.62Å; Q623-A625 VanDerWaalsContact C-N 3.34Å; Q623-A625 PolarHBondContact O-N 2.78Å; Q623-V626 PolarHBondContact O-N 2.87Å; Q623-Q627 VanDerWaalsContact O-CB 3.22Å; Q623-Q627 WeakPolarHBondContact O-CB 3.43Å; Q623-Q627 PolarHBondContact O-N 3.38Å
624	A	85.9	Confident	84.2	Confident	11 Å²	11	68.3 Å²	68.3	9%	0.091	34%	0.343	C	S	.	.	H	α-helix	trans	-59.8	-41.3	172	0	0	0	0	0	112.4	L588 D620 V622 V626 Q627 E628	L588-A624 HydrophobicContact CD1-CB 3.82Å; L588-A624 HydrophobicContact CG-CB 4.19Å; D620-A624 PolarHBondContact O-N 3.1Å; V622-A624 VanDerWaalsContact C-N 3.34Å; V622-A624 PolarHBondContact O-N 2.83Å; A624-V626 VanDerWaalsContact C-N 3.33Å; A624-V626 PolarHBondContact O-N 2.76Å; A624-Q627 PolarHBondContact O-N 3.1Å; A624-E628 PolarHBondContact O-N 3.47Å
625	A	85.7	Confident	84.5	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-64.8	-32.8	176.8	0	0	0	0	0	113.6	I565 L584 L621 V622 Q623	I565-A625 HydrophobicContact CD1-CB 3.68Å; I565-A625 HydrophobicContact CG1-CB 4.39Å; L584-A625 HydrophobicContact CD1-CB 4.15Å; L584-A625 HydrophobicContact CD2-CB 3.64Å; L621-A625 PolarHBondContact O-N 3.34Å; V622-A625 WeakPolarHBondContact O-CB 3.44Å; V622-A625 PolarHBondContact O-N 3.49Å; V622-A625 VanDerWaalsContact O-N 3.1Å; Q623-A625 VanDerWaalsContact C-N 3.34Å; Q623-A625 PolarHBondContact O-N 2.78Å
626	V	86.6	Confident	84.5	Confident	82 Å²	82	60.5 Å²	60.5	50%	0.497	31%	0.306	S	S	.	.	H	α-helix	trans	-74.8	-46.3	173.1	174.7	0	0	0	0	111	V622 Q623 A624 K629 A643	V622-V626 WeakPolarHBondContact O-CG2 3.47Å; V622-V626 PolarHBondContact O-N 3.48Å; Q623-V626 PolarHBondContact O-N 2.87Å; A624-V626 VanDerWaalsContact C-N 3.33Å; A624-V626 PolarHBondContact O-N 2.76Å; V626-K629 WeakPolarHBondContact O-CB 3.16Å; V626-A643 HydrophobicContact CG2-CB 3.85Å
627	Q	85.8	Confident	84.5	Confident	151 Å²	151	62.7 Å²	62.7	71%	0.706	33%	0.332	S	S	*	.	H	α-helix	trans	-72.3	-38.8	-172.3	-174.3	170.2	-18.2	0	0	113	Q623 A624	Q623-Q627 VanDerWaalsContact O-CB 3.22Å; Q623-Q627 WeakPolarHBondContact O-CB 3.43Å; Q623-Q627 PolarHBondContact O-N 3.38Å; A624-Q627 PolarHBondContact O-N 3.1Å
628	E	85	Confident	84.4	Confident	74 Å²	74	59.6 Å²	59.6	35%	0.346	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	12.3	178.8	-67.7	-167.8	-132.5	0	0	113.9	R587 A624 Q630 Q631 L632	R587-E628 WeakPolarHBondContact CD-OE2 3.27Å; R587-E628 IonicContact CZ-OE2 2.79Å; R587-E628 IonicContact NE-OE2 2.71Å; R587-E628 PolarHBondContact NE-OE2 2.95Å; R587-E628 IonicContact NH2-OE2 2.91Å; A624-E628 PolarHBondContact O-N 3.47Å; E628-Q630 VanDerWaalsContact C-N 3.34Å; E628-Q630 PolarHBondContact O-N 3.43Å; E628-Q630 VanDerWaalsContact O-N 3.13Å; E628-Q631 PolarHBondContact O-N 3.35Å; E628-L632 HydrophobicContact CB-CD1 4.16Å; E628-L632 PolarHBondContact O-N 3.29Å; E628-L632 VanDerWaalsContact O-N 3.14Å
629	K	85.4	Confident	84.4	Confident	65 Å²	65	64.5 Å²	64.5	28%	0.283	33%	0.334	S	S	.	.	H	α-helix	trans	-40.3	-54.9	-176.2	175.5	170.7	178	166.6	0	113.8	V626 Q631 L632 E633 I640 V641	V626-K629 WeakPolarHBondContact O-CB 3.16Å; K629-Q631 PolarHBondContact O-N 3.42Å; K629-L632 PolarHBondContact O-N 3.38Å; K629-E633 WeakPolarHBondContact CE-OE1 3.31Å; K629-E633 HydrophobicContact CG-CG 4.17Å; K629-E633 WeakPolarHBondContact O-CB 3.38Å; K629-E633 VanDerWaalsContact O-CG 3.25Å; K629-E633 WeakPolarHBondContact O-CG 3.5Å; K629-E633 PolarHBondContact O-N 2.96Å; K629-I640 HydrophobicContact CD-CB 4.37Å; K629-I640 HydrophobicContact CD-CG2 4.49Å; K629-I640 WeakPolarHBondContact CE-O 3.31Å; K629-I640 HydrophobicContact CG-CB 4.34Å; K629-I640 PolarHBondContact NZ-O 2.77Å; K629-V641 PolarHBondContact NZ-O 2.86Å
630	Q	82.1	Confident	84.5	Confident	146 Å²	146	62.6 Å²	62.6	68%	0.682	32%	0.317	S	S	*	.	H	α-helix	trans	-63.8	-15.2	-176.3	-64.9	-170.3	12.5	0	0	114.9	E628 K634	E628-Q630 VanDerWaalsContact C-N 3.34Å; E628-Q630 PolarHBondContact O-N 3.43Å; E628-Q630 VanDerWaalsContact O-N 3.13Å; Q630-K634 WeakPolarHBondContact O-CD 3.34Å; Q630-K634 WeakPolarHBondContact O-CE 3.47Å; Q630-K634 VanDerWaalsContact O-CG 3.31Å; Q630-K634 WeakPolarHBondContact O-CG 3.49Å
631	Q	83.6	Confident	84.4	Confident	101 Å²	101	62.6 Å²	62.6	47%	0.472	32%	0.319	S	S	.	.	H	α-helix	trans	-95.8	-42.3	175.9	-163.1	178.8	-46.7	0	0	110.8	R587 E628 K629 E633 K634 E635	R587-Q631 VanDerWaalsContact NH2-NE2 3.19Å; E628-Q631 PolarHBondContact O-N 3.35Å; K629-Q631 PolarHBondContact O-N 3.42Å; Q631-E633 VanDerWaalsContact C-N 3.31Å; Q631-E633 PolarHBondContact O-N 2.79Å; Q631-K634 PolarHBondContact O-N 3.26Å; Q631-E635 WeakPolarHBondContact CG-OE1 3.34Å; Q631-E635 PolarHBondContact NE2-OE1 2.94Å; Q631-E635 WeakPolarHBondContact O-CG 3.43Å; Q631-E635 PolarHBondContact O-N 3.2Å
632	L	83.9	Confident	84.1	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-56.8	-42.6	171.4	-72.7	154.5	0	0	0	112.1	L580 R583 L584 E628 K629 K634 E635 T636 I640	L580-L632 HydrophobicContact CD1-CD2 4.37Å; R583-L632 HydrophobicContact CB-CD2 4.18Å; L584-L632 HydrophobicContact CD2-CD1 3.54Å; L584-L632 HydrophobicContact CD2-CD2 3.86Å; L584-L632 HydrophobicContact CD2-CG 4.36Å; L584-L632 HydrophobicContact CG-CD1 4.43Å; L584-L632 HydrophobicContact CG-CD2 3.95Å; E628-L632 HydrophobicContact CB-CD1 4.16Å; E628-L632 PolarHBondContact O-N 3.29Å; E628-L632 VanDerWaalsContact O-N 3.14Å; K629-L632 PolarHBondContact O-N 3.38Å; L632-K634 VanDerWaalsContact C-N 3.26Å; L632-K634 PolarHBondContact O-N 3.19Å; L632-E635 PolarHBondContact O-N 3.47Å; L632-T636 WeakPolarHBondContact O-CB 3.34Å; L632-T636 PolarHBondContact O-N 2.89Å; L632-T636 PolarHBondContact O-OG1 3.45Å; L632-I640 HydrophobicContact CB-CD1 4.42Å
633	E	87.1	Confident	84	Confident	48 Å²	48	66.5 Å²	66.5	22%	0.224	34%	0.341	C	S	.	.	H	α-helix	trans	-62.4	-30.9	176.4	-69	-178.4	146.2	0	0	112.6	K629 Q631 G637 L638 I640	K629-E633 WeakPolarHBondContact CE-OE1 3.31Å; K629-E633 HydrophobicContact CG-CG 4.17Å; K629-E633 WeakPolarHBondContact O-CB 3.38Å; K629-E633 VanDerWaalsContact O-CG 3.25Å; K629-E633 WeakPolarHBondContact O-CG 3.5Å; K629-E633 PolarHBondContact O-N 2.96Å; Q631-E633 VanDerWaalsContact C-N 3.31Å; Q631-E633 PolarHBondContact O-N 2.79Å; E633-G637 WeakPolarHBondContact O-CA 3.33Å; E633-G637 PolarHBondContact O-N 3.17Å; E633-G637 VanDerWaalsContact O-N 3.14Å; E633-L638 WeakPolarHBondContact CA-O 3.2Å; E633-L638 WeakPolarHBondContact CG-O 3.48Å; E633-I640 HydrophobicContact CG-CG1 4.35Å; E633-I640 PolarHBondContact OE1-N 3.29Å
634	K	85.9	Confident	83.9	Confident	162 Å²	162	61.6 Å²	61.6	70%	0.704	32%	0.321	S	S	*	.	H	α-helix	trans	-81.6	-34.9	177.2	-69	169.7	-170.6	159.8	0	112.9	Q630 Q631 L632	Q630-K634 WeakPolarHBondContact O-CD 3.34Å; Q630-K634 WeakPolarHBondContact O-CE 3.47Å; Q630-K634 VanDerWaalsContact O-CG 3.31Å; Q630-K634 WeakPolarHBondContact O-CG 3.49Å; Q631-K634 PolarHBondContact O-N 3.26Å; L632-K634 VanDerWaalsContact C-N 3.26Å; L632-K634 PolarHBondContact O-N 3.19Å
635	E	82	Confident	83.8	Confident	69 Å²	69	63.9 Å²	63.9	32%	0.322	33%	0.334	S	S	.	.	H	α-helix	trans	-78.6	-32.7	-178.9	-71.9	170.9	-162.2	0	0	113	R587 Q631 L632	R587-E635 IonicContact CZ-OE1 3.93Å; R587-E635 IonicContact CZ-OE2 2.78Å; R587-E635 IonicContact NH1-OE1 3.63Å; R587-E635 IonicContact NH1-OE2 2.82Å; R587-E635 PolarHBondContact NH1-OE2 3.27Å; R587-E635 IonicContact NH2-OE1 3.61Å; R587-E635 PolarHBondContact NH2-OE1 3.42Å; R587-E635 IonicContact NH2-OE2 3.82Å; R587-E635 PolarHBondContact NH2-OE2 3.3Å; Q631-E635 WeakPolarHBondContact CG-OE1 3.34Å; Q631-E635 PolarHBondContact NE2-OE1 2.94Å; Q631-E635 WeakPolarHBondContact O-CG 3.43Å; Q631-E635 PolarHBondContact O-N 3.2Å; L632-E635 PolarHBondContact O-N 3.47Å
636	T	81.6	Confident	83.2	Confident	27 Å²	27	64.4 Å²	64.4	17%	0.166	34%	0.337	C	S	.	.	H	α-helix	trans	-100.2	-22.4	-178.9	60.6	0	0	0	0	114.1	L580 L632 L638	L580-T636 HydrophobicContact CB-CG2 4.19Å; L580-T636 HydrophobicContact CD1-CG2 3.88Å; L632-T636 WeakPolarHBondContact O-CB 3.34Å; L632-T636 PolarHBondContact O-N 2.89Å; L632-T636 PolarHBondContact O-OG1 3.45Å; T636-L638 PolarHBondContact O-N 2.88Å; T636-L638 PolarHBondContact OG1-N 2.93Å; T636-L638 VanDerWaalsContact OG1-N 3.11Å
637	G	81.1	Confident	82	Confident	67 Å²	67	64.1 Å²	64.1	69%	0.691	33%	0.333	S	S	*	.			trans	69.9	6.3	-167.7	0	0	0	0	0	114.6	E633	E633-G637 WeakPolarHBondContact O-CA 3.33Å; E633-G637 PolarHBondContact O-N 3.17Å; E633-G637 VanDerWaalsContact O-N 3.14Å
638	L	82.9	Confident	80.6	Confident	5 Å²	5	64 Å²	64	3%	0.026	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-93.7	117.7	175.9	-63.2	172.5	0	0	0	109.9	T567 L572 R576 L580 E633 T636 I640	T567-L638 HydrophobicContact CG2-CB 4.47Å; L572-L638 HydrophobicContact CD1-CD1 3.83Å; L572-L638 HydrophobicContact CD1-CD2 3.94Å; R576-L638 HydrophobicContact CB-CD1 4.32Å; L580-L638 HydrophobicContact CB-CD1 4.1Å; L580-L638 HydrophobicContact CD2-CD1 4.04Å; E633-L638 WeakPolarHBondContact CA-O 3.2Å; E633-L638 WeakPolarHBondContact CG-O 3.48Å; T636-L638 PolarHBondContact O-N 2.88Å; T636-L638 PolarHBondContact OG1-N 2.93Å; T636-L638 VanDerWaalsContact OG1-N 3.11Å; L638-I640 PolarHBondContact O-N 3.19Å
639	K	83.9	Confident	78.8	Confident	116 Å²	116	63.6 Å²	63.6	50%	0.504	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-74.4	121.6	170.8	-174.4	-173.8	176.2	-162.9	0	109.6	T567 N568	T567-K639 CarbonylContact C-O 3.56Å; T567-K639 WeakPolarHBondContact CA-O 3.23Å; N568-K639 HydrophobicContact CB-CB 4Å; N568-K639 HydrophobicContact CB-CD 4.12Å; N568-K639 HydrophobicContact CB-CG 4.33Å; N568-K639 PolarHBondContact N-O 2.82Å
640	I	84.7	Confident	76.8	Confident	3 Å²	3	64 Å²	64	2%	0.015	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	127	176.4	-63	171.3	0	0	0	107.5	I565 K629 L632 E633 L638	I565-I640 HydrophobicContact CG2-CG1 4.31Å; I565-I640 HydrophobicContact CG2-CG2 4.14Å; K629-I640 HydrophobicContact CD-CB 4.37Å; K629-I640 HydrophobicContact CD-CG2 4.49Å; K629-I640 WeakPolarHBondContact CE-O 3.31Å; K629-I640 HydrophobicContact CG-CB 4.34Å; K629-I640 PolarHBondContact NZ-O 2.77Å; L632-I640 HydrophobicContact CB-CD1 4.42Å; E633-I640 HydrophobicContact CG-CG1 4.35Å; E633-I640 PolarHBondContact OE1-N 3.29Å; L638-I640 PolarHBondContact O-N 3.19Å
641	V	82.9	Confident	75.3	Confident	65 Å²	65	59 Å²	59	39%	0.394	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	-57.5	173.1	178.7	0	0	0	0	108.4	I566 N568 K629	I566-V641 HydrophobicContact CB-CB 4.39Å; I566-V641 HydrophobicContact CG2-CB 4.38Å; I566-V641 PolarHBondContact O-N 3.39Å; N568-V641 HydrophobicContact CB-CG2 3.93Å; K629-V641 PolarHBondContact NZ-O 2.86Å
642	E	79.2	Confident	73.3	Confident	67 Å²	67	58.6 Å²	58.6	31%	0.313	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	151.2	-170.1	-166	179.9	133.9	0	0	109.7	Y564 I566	Y564-E642 HydrophobicContact CE2-CG 4.39Å; Y564-E642 PolarHBondContact OH-OE1 2.88Å; I566-E642 HydrophobicContact CB-CB 4.21Å; I566-E642 HydrophobicContact CD1-CB 3.83Å; I566-E642 HydrophobicContact CD1-CG 4.37Å; I566-E642 HydrophobicContact CG1-CB 4.07Å; I566-E642 PolarHBondContact N-O 3Å; I566-E642 PolarHBondContact O-N 3.48Å
643	A	84.9	Confident	71.5	Confident	23 Å²	23	64.4 Å²	64.4	19%	0.19	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	136.2	171.9	0	0	0	0	0	108.9	Y564 I565 V626	Y564-A643 CarbonylContact O-C 3.59Å; Y564-A643 VanDerWaalsContact O-CA 3.31Å; Y564-A643 WeakPolarHBondContact O-CA 3.49Å; I565-A643 HydrophobicContact CG1-CB 3.8Å; V626-A643 HydrophobicContact CG2-CB 3.85Å
644	G	82.3	Confident	69.4	Low	11 Å²	11	64.5 Å²	64.5	11%	0.113	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	169.9	-172.6	0	0	0	0	0	113.8	Y564 V622	Y564-G644 WeakPolarHBondContact CD1-O 3.29Å; Y564-G644 PolarHBondContact N-O 2.82Å; Y564-G644 PolarHBondContact O-N 3.34Å; V622-G644 WeakPolarHBondContact CG2-O 3.41Å
645	V	82.7	Confident	67.1	Low	60 Å²	60	59.9 Å²	59.9	36%	0.364	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	135.2	171.7	-174.1	0	0	0	0	107.8	H561 F562 A619 V622	H561-V645 HydrophobicContact CB-CG1 3.82Å; F562-V645 CarbonylContact O-C 3.54Å; F562-V645 WeakPolarHBondContact O-CA 3.36Å; A619-V645 HydrophobicContact CB-CG2 3.93Å; V622-V645 HydrophobicContact CB-CG2 3.92Å; V622-V645 HydrophobicContact CG1-CG2 4.09Å; V622-V645 HydrophobicContact CG2-CG2 3.89Å
646	S	72.6	Confident	65.1	Low	10 Å²	10	60.5 Å²	60.5	7%	0.07	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	137.8	177.9	176.9	0	0	0	0	109.7	F562 S650 L651	F562-S646 PolarHBondContact N-O 2.8Å; F562-S646 PolarHBondContact O-N 2.76Å; S646-S650 PolarHBondContact OG-OG 2.82Å; S646-L651 WeakPolarHBondContact OG-CG 3.43Å
647	D	63.3	Low	63.1	Low	77 Å²	77	64.4 Å²	64.4	41%	0.412	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	154.2	163.8	-96.6	-41.4	0	0	0	110.8	R560 H561 G649 S650	R560-D647 WeakPolarHBondContact CB-OD1 3.19Å; H561-D647 IonicContact CD2-OD1 3.37Å; H561-D647 PolarHBondContact CD2-OD1 3.06Å; H561-D647 IonicContact CD2-OD2 3.99Å; H561-D647 IonicContact NE2-OD1 3.06Å; D647-G649 PolarHBondContact O-N 3.46Å; D647-S650 PolarHBondContact O-N 3.07Å; D647-S650 VanDerWaalsContact O-N 3.08Å; D647-S650 PolarHBondContact O-OG 3.33Å
648	R	54.8	Low	60.8	Low	147 Å²	147	68.7 Å²	68.7	56%	0.555	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-16.4	-177.4	-169.9	172.9	168	163.3	-2.6	114.7	F553 F562	F553-R648 PolarHBondContact O-NH1 3.14Å; F553-R648 VanDerWaalsContact O-NH1 3.09Å; F553-R648 PolarHBondContact O-NH2 3.18Å; F562-R648 HydrophobicContact CD2-CB 4.2Å; F562-R648 HydrophobicContact CE2-CB 3.96Å; F562-R648 HydrophobicContact CE2-CG 4.08Å
649	G	47.8	Very low	58.4	Low	67 Å²	67	75.8 Å²	75.8	69%	0.691	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-22.9	178.2	0	0	0	0	0	116.4	D647	D647-G649 PolarHBondContact O-N 3.46Å
650	S	44.3	Very low	55.8	Low	74 Å²	74	75.7 Å²	75.7	52%	0.517	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-6.4	-176	55.2	0	0	0	0	114.9	S646 D647 T652	S646-S650 PolarHBondContact OG-OG 2.82Å; D647-S650 PolarHBondContact O-N 3.07Å; D647-S650 VanDerWaalsContact O-N 3.08Å; D647-S650 PolarHBondContact O-OG 3.33Å; S650-T652 PolarHBondContact O-N 2.87Å
651	L	49.5	Very low	53.4	Low	41 Å²	41	86.5 Å²	86.5	22%	0.215	47%	0.465	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	9.1	-176.5	-111.3	161.4	0	0	0	114.8	F562 T606 S646 Q653 I654	F562-L651 HydrophobicContact CB-CD1 3.89Å; T606-L651 HydrophobicContact CG2-CD1 4.43Å; T606-L651 HydrophobicContact CG2-CD2 3.89Å; S646-L651 WeakPolarHBondContact OG-CG 3.43Å; L651-Q653 VanDerWaalsContact C-N 3.34Å; L651-I654 HydrophobicContact CD2-CD1 3.78Å; L651-I654 HydrophobicContact CD2-CG1 4.08Å
652	T	41.9	Very low	51.2	Low	92 Å²	92	88.1 Å²	88.1	56%	0.564	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-11.4	179.3	51.9	0	0	0	0	114	S650	S650-T652 PolarHBondContact O-N 2.87Å
653	Q	45.6	Very low	49.6	Very low	121 Å²	121	92.1 Å²	92.1	57%	0.565	49%	0.494	S	S	*	.			trans	-137.6	88.8	-178.3	-62.2	-174.8	11.4	0	0	111.4	L545 L651	L545-Q653 HydrophobicContact CD2-CG 4.12Å; L651-Q653 VanDerWaalsContact C-N 3.34Å
654	I	43.4	Very low	48.1	Very low	50 Å²	50	95.4 Å²	95.4	26%	0.256	52%	0.516	S	S	.	.			trans	-91.4	119	170.6	-58.5	-179.3	0	0	0	108.8	I566 A604 L651 V656	I566-I654 HydrophobicContact CD1-CG2 3.4Å; I566-I654 HydrophobicContact CG1-CG2 4.03Å; A604-I654 HydrophobicContact CB-CD1 4.26Å; L651-I654 HydrophobicContact CD2-CD1 3.78Å; L651-I654 HydrophobicContact CD2-CG1 4.08Å; I654-V656 PolarHBondContact O-N 3.33Å; I654-V656 VanDerWaalsContact O-N 3.1Å
655	P	38.3	Very low	46.7	Very low	66 Å²	66	97.5 Å²	97.5	43%	0.429	54%	0.537	S	S	.	.			trans	-81.2	89.5	-174.2	32.3	-35	0	0	0	112.6	V657	P655-V657 PolarHBondContact O-N 3.16Å; P655-V657 VanDerWaalsContact O-N 3.07Å
656	V	39.4	Very low	45.5	Very low	81 Å²	81	101.3 Å²	101.3	49%	0.491	55%	0.551	S	S	.	*			trans	-74.4	99.4	175.9	-175.8	0	0	0	0	111	P603 I654 K658	P603-V656 HydrophobicContact CG-CG1 4.04Å; P603-V656 HydrophobicContact CG-CG2 3.69Å; I654-V656 PolarHBondContact O-N 3.33Å; I654-V656 VanDerWaalsContact O-N 3.1Å; V656-K658 PolarHBondContact O-N 3.1Å
657	V	38.8	Very low	44.8	Very low	110 Å²	110	107.1 Å²	107.1	67%	0.667	58%	0.575	S	S	*	*			trans	-74.6	109.7	176.2	-178.6	0	0	0	0	110.6	P655 E659	P655-V657 PolarHBondContact O-N 3.16Å; P655-V657 VanDerWaalsContact O-N 3.07Å; V657-E659 PolarHBondContact O-N 3.43Å
658	K	33.8	Very low	44.8	Very low	156 Å²	156	108.7 Å²	108.7	68%	0.678	58%	0.583	S	S	*	*			trans	-84.6	104.8	169.7	-83.7	-167.4	168.8	-173.5	0	111.5	V656 T660	V656-K658 PolarHBondContact O-N 3.1Å; K658-T660 VanDerWaalsContact C-N 3.31Å; K658-T660 PolarHBondContact O-N 3.46Å
659	E	32.8	Very low	45.5	Very low	155 Å²	155	107.4 Å²	107.4	72%	0.724	59%	0.586	S	S	*	*			trans	-78.9	72.8	173.4	-165.2	-177.7	179.6	0	0	111.4	V657 R661	V657-E659 PolarHBondContact O-N 3.43Å; E659-R661 PolarHBondContact O-N 3.26Å
660	T	29.5	Very low	46.8	Very low	113 Å²	113	108.8 Å²	108.8	69%	0.693	58%	0.577	S	S	*	*			trans	-73.7	94	173.7	53.9	0	0	0	0	110.7	K658 V662	K658-T660 VanDerWaalsContact C-N 3.31Å; K658-T660 PolarHBondContact O-N 3.46Å; T660-V662 PolarHBondContact O-N 2.82Å
661	R	33.5	Very low	48.1	Very low	230 Å²	230	108.2 Å²	108.2	87%	0.868	57%	0.573	S	S	*	*			trans	-71.2	82.4	-179.8	-165.9	-175.6	-166.4	-158.6	5.2	112.3	E659	E659-R661 PolarHBondContact O-N 3.26Å
662	V	36.3	Very low	49.6	Very low	100 Å²	100	110 Å²	110	61%	0.606	59%	0.586	S	S	*	*			trans	-66.3	130.3	177.1	177.1	0	0	0	0	111.2	T660 S664 F667	T660-V662 PolarHBondContact O-N 2.82Å; V662-S664 PolarHBondContact O-N 2.96Å; V662-F667 HydrophobicContact CG1-CD2 4.29Å; V662-F667 HydrophobicContact CG1-CE2 3.82Å
663	E	46	Very low	51.5	Low	151 Å²	151	109.3 Å²	109.3	71%	0.706	58%	0.578	S	S	*	*			trans	-75.5	105.2	177.8	-66.3	-164.2	132.6	0	0	112.1	G665	E663-G665 PolarHBondContact O-N 3.49Å
664	S	52.6	Low	53.3	Low	92 Å²	92	106.7 Å²	106.7	64%	0.643	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.8	-25.1	-174.1	-170.5	0	0	0	0	115.6	V662 Q666	V662-S664 PolarHBondContact O-N 2.96Å; S664-Q666 PolarHBondContact O-N 2.82Å
665	G	54.1	Low	55.3	Low	54 Å²	54	109.8 Å²	109.8	56%	0.557	59%	0.587	S	S	*	*	H	α-helix	trans	-63.3	-36.4	-172.8	0	0	0	0	0	115.2	E663 L668 L669	E663-G665 PolarHBondContact O-N 3.49Å; G665-L668 PolarHBondContact O-N 3.42Å; G665-L669 PolarHBondContact O-N 2.7Å
666	Q	57.7	Low	57.6	Low	140 Å²	140	111.3 Å²	111.3	65%	0.654	59%	0.591	S	S	*	*	H	α-helix	trans	-72.7	-38	-172.9	-62.9	-174.9	4.3	0	0	112.6	S664 L668 L669 L670	S664-Q666 PolarHBondContact O-N 2.82Å; Q666-L668 VanDerWaalsContact C-N 3.33Å; Q666-L668 PolarHBondContact O-N 3.21Å; Q666-L669 PolarHBondContact O-N 2.8Å; Q666-L670 WeakPolarHBondContact O-CB 3.42Å; Q666-L670 PolarHBondContact O-N 2.79Å
667	F	58.2	Low	59.9	Low	132 Å²	132	114.9 Å²	114.9	58%	0.579	60%	0.6	S	S	*	*	H	α-helix	trans	-70.7	-29.3	176.9	-70.3	-81.8	0	0	0	112.8	V662 S671	V662-F667 HydrophobicContact CG1-CD2 4.29Å; V662-F667 HydrophobicContact CG1-CE2 3.82Å; F667-S671 WeakPolarHBondContact O-CB 3.48Å; F667-S671 PolarHBondContact O-N 2.9Å; F667-S671 PolarHBondContact O-OG 3.28Å
668	L	63	Low	62.4	Low	111 Å²	111	114 Å²	114	58%	0.581	59%	0.591	S	S	*	*	H	α-helix	trans	-67.7	-41.8	173.6	-126.5	169.9	0	0	0	111.1	G665 Q666 S671 V672	G665-L668 PolarHBondContact O-N 3.42Å; Q666-L668 VanDerWaalsContact C-N 3.33Å; Q666-L668 PolarHBondContact O-N 3.21Å; L668-S671 PolarHBondContact O-OG 3Å; L668-S671 VanDerWaalsContact O-OG 3.08Å; L668-V672 WeakPolarHBondContact O-CG2 3.33Å; L668-V672 PolarHBondContact O-N 3.02Å
669	L	68.3	Low	64.8	Low	119 Å²	119	111.6 Å²	111.6	62%	0.623	59%	0.585	S	S	*	*	H	α-helix	trans	-65	-44.9	174.5	-170.9	69.7	0	0	0	111.8	G665 Q666 V672 L673	G665-L669 PolarHBondContact O-N 2.7Å; Q666-L669 PolarHBondContact O-N 2.8Å; L669-V672 PolarHBondContact O-N 2.91Å; L669-L673 HydrophobicContact CG-CD1 4.31Å; L669-L673 WeakPolarHBondContact O-CG 3.32Å; L669-L673 PolarHBondContact O-N 2.92Å
670	L	75.7	Confident	67.6	Low	97 Å²	97	108.3 Å²	108.3	51%	0.508	58%	0.575	S	S	.	*	H	α-helix	trans	-64.8	-40	-179.4	-174.5	63.1	0	0	0	112.6	Q666 L673 C674	Q666-L670 WeakPolarHBondContact O-CB 3.42Å; Q666-L670 PolarHBondContact O-N 2.79Å; L670-L673 PolarHBondContact O-N 3.32Å; L670-C674 PolarHBondContact O-N 2.93Å; L670-C674 PolarHBondContact O-SG 3.21Å; L670-C674 VanDerWaalsContact O-SG 3.37Å
671	S	71.9	Confident	70.5	Confident	61 Å²	61	105.7 Å²	105.7	43%	0.427	57%	0.565	S	S	.	*	H	α-helix	trans	-67.9	-38.2	177.3	49.2	0	0	0	0	112.6	F667 L668 C674 M675	F667-S671 WeakPolarHBondContact O-CB 3.48Å; F667-S671 PolarHBondContact O-N 2.9Å; F667-S671 PolarHBondContact O-OG 3.28Å; L668-S671 PolarHBondContact O-OG 3Å; L668-S671 VanDerWaalsContact O-OG 3.08Å; S671-C674 PolarHBondContact O-N 3.03Å; S671-M675 WeakPolarHBondContact O-CG 3.38Å; S671-M675 PolarHBondContact O-N 3.43Å
672	V	80.3	Confident	73.2	Confident	79 Å²	79	99.7 Å²	99.7	48%	0.479	55%	0.55	S	S	.	.	H	α-helix	trans	-62.9	-42.2	172	171.4	0	0	0	0	111.6	L668 L669 M675 L676	L668-V672 WeakPolarHBondContact O-CG2 3.33Å; L668-V672 PolarHBondContact O-N 3.02Å; L669-V672 PolarHBondContact O-N 2.91Å; V672-M675 PolarHBondContact O-N 3.47Å; V672-L676 HydrophobicContact CG1-CD1 4.28Å; V672-L676 PolarHBondContact O-N 2.74Å
673	L	81.5	Confident	75.5	Confident	78 Å²	78	97.5 Å²	97.5	41%	0.408	54%	0.542	S	S	.	.	H	α-helix	trans	-62.2	-44.6	175.2	-75.3	166.4	0	0	0	112.2	L669 L670 M675 L676 F677	L669-L673 HydrophobicContact CG-CD1 4.31Å; L669-L673 WeakPolarHBondContact O-CG 3.32Å; L669-L673 PolarHBondContact O-N 2.92Å; L670-L673 PolarHBondContact O-N 3.32Å; L673-M675 VanDerWaalsContact C-N 3.34Å; L673-M675 PolarHBondContact O-N 3.3Å; L673-L676 PolarHBondContact O-N 3.21Å; L673-F677 WeakPolarHBondContact O-CD2 3.02Å; L673-F677 PolarHBondContact O-N 3.02Å
674	C	83.3	Confident	77.6	Confident	65 Å²	65	96.3 Å²	96.3	44%	0.439	54%	0.538	S	S	.	.	H	α-helix	trans	-60.1	-42.1	175.3	-72.8	0	0	0	0	112.3	L670 S671 L676 F677 I678	L670-C674 PolarHBondContact O-N 2.93Å; L670-C674 PolarHBondContact O-SG 3.21Å; L670-C674 VanDerWaalsContact O-SG 3.37Å; S671-C674 PolarHBondContact O-N 3.03Å; C674-L676 PolarHBondContact O-N 2.81Å; C674-F677 PolarHBondContact O-N 2.89Å; C674-I678 VanDerWaalsContact O-CG1 3.31Å; C674-I678 WeakPolarHBondContact O-CG1 3.42Å; C674-I678 PolarHBondContact O-N 3.32Å
675	M	85.9	Confident	79.2	Confident	116 Å²	116	95 Å²	95	57%	0.571	53%	0.529	S	S	*	.	H	α-helix	trans	-64	-38.4	176.3	-70.9	-63.4	-70.3	0	0	112.4	S671 V672 L673 I678 L679	S671-M675 WeakPolarHBondContact O-CG 3.38Å; S671-M675 PolarHBondContact O-N 3.43Å; V672-M675 PolarHBondContact O-N 3.47Å; L673-M675 VanDerWaalsContact C-N 3.34Å; L673-M675 PolarHBondContact O-N 3.3Å; M675-I678 PolarHBondContact O-N 3.36Å; M675-I678 HydrophobicContact SD-CD1 4.47Å; M675-L679 WeakPolarHBondContact O-CG 3.49Å; M675-L679 PolarHBondContact O-N 3.2Å
676	L	86.7	Confident	80.8	Confident	97 Å²	97	95 Å²	95	51%	0.508	52%	0.523	S	S	.	.	H	α-helix	trans	-63.2	-44.8	173	-77.4	165.2	0	0	0	112.1	V672 L673 C674 I678 L679 V680	V672-L676 HydrophobicContact CG1-CD1 4.28Å; V672-L676 PolarHBondContact O-N 2.74Å; L673-L676 PolarHBondContact O-N 3.21Å; C674-L676 PolarHBondContact O-N 2.81Å; L676-I678 VanDerWaalsContact C-N 3.34Å; L676-I678 PolarHBondContact O-N 2.97Å; L676-L679 PolarHBondContact O-N 2.96Å; L676-V680 WeakPolarHBondContact O-CG2 3.26Å; L676-V680 PolarHBondContact O-N 3.47Å
677	F	88.1	Confident	82	Confident	157 Å²	157	92.1 Å²	92.1	69%	0.689	52%	0.516	S	S	*	.	H	α-helix	trans	-62	-39	175.8	-88.5	-72.9	0	0	0	112.7	L673 C674 V680 A681	L673-F677 WeakPolarHBondContact O-CD2 3.02Å; L673-F677 PolarHBondContact O-N 3.02Å; C674-F677 PolarHBondContact O-N 2.89Å; F677-V680 PolarHBondContact O-N 3.25Å; F677-A681 WeakPolarHBondContact O-CB 3.41Å; F677-A681 PolarHBondContact O-N 2.9Å
678	I	90.4	Very high	83.3	Confident	91 Å²	91	92 Å²	92	47%	0.467	52%	0.515	S	S	.	.	H	α-helix	trans	-64	-44.1	175.1	-68.8	163.7	0	0	0	110.8	C674 M675 L676 V680 A681 L682	C674-I678 VanDerWaalsContact O-CG1 3.31Å; C674-I678 WeakPolarHBondContact O-CG1 3.42Å; C674-I678 PolarHBondContact O-N 3.32Å; M675-I678 PolarHBondContact O-N 3.36Å; M675-I678 HydrophobicContact SD-CD1 4.47Å; L676-I678 VanDerWaalsContact C-N 3.34Å; L676-I678 PolarHBondContact O-N 2.97Å; I678-V680 PolarHBondContact O-N 3.07Å; I678-A681 PolarHBondContact O-N 3.46Å; I678-L682 HydrophobicContact CG2-CD1 4.02Å; I678-L682 HydrophobicContact CG2-CG 4.47Å; I678-L682 WeakPolarHBondContact O-CG 3.48Å; I678-L682 PolarHBondContact O-N 3.09Å
679	L	86.1	Confident	84.4	Confident	105 Å²	105	92.8 Å²	92.8	55%	0.55	51%	0.514	S	S	.	.	H	α-helix	trans	-62.3	-40.4	176.6	-73.3	168.5	0	0	0	112.3	M675 L676 L682 A683	M675-L679 WeakPolarHBondContact O-CG 3.49Å; M675-L679 PolarHBondContact O-N 3.2Å; L676-L679 PolarHBondContact O-N 2.96Å; L679-L682 PolarHBondContact O-N 2.82Å; L679-A683 PolarHBondContact O-N 3.36Å
680	V	90	Very high	85	Confident	87 Å²	87	90.7 Å²	90.7	53%	0.527	51%	0.509	S	S	.	.	H	α-helix	trans	-64.6	-42.5	174.1	172.9	0	0	0	0	111.4	L676 F677 I678 L682 A683 M684	L676-V680 WeakPolarHBondContact O-CG2 3.26Å; L676-V680 PolarHBondContact O-N 3.47Å; F677-V680 PolarHBondContact O-N 3.25Å; I678-V680 PolarHBondContact O-N 3.07Å; V680-L682 VanDerWaalsContact C-N 3.33Å; V680-L682 PolarHBondContact O-N 3.37Å; V680-A683 PolarHBondContact O-N 2.69Å; V680-M684 HydrophobicContact CG1-CG 4.4Å; V680-M684 WeakPolarHBondContact O-CB 3.38Å; V680-M684 WeakPolarHBondContact O-CG 3.07Å; V680-M684 PolarHBondContact O-N 3.02Å
681	A	90.8	Very high	85.3	Confident	58 Å²	58	90.8 Å²	90.8	48%	0.479	51%	0.513	S	S	.	.	H	α-helix	trans	-64	-35.9	176.1	0	0	0	0	0	112.8	F677 I678 S685	F677-A681 WeakPolarHBondContact O-CB 3.41Å; F677-A681 PolarHBondContact O-N 2.9Å; I678-A681 PolarHBondContact O-N 3.46Å; A681-S685 WeakPolarHBondContact O-CB 3.35Å; A681-S685 PolarHBondContact O-N 2.79Å; A681-S685 PolarHBondContact O-OG 2.85Å
682	L	90.9	Very high	85.6	Confident	103 Å²	103	95.8 Å²	95.8	54%	0.539	52%	0.523	S	S	.	.	H	α-helix	trans	-69.3	-39.7	173.7	-70.7	172	0	0	0	111.8	I678 L679 V680 S685 A686	I678-L682 HydrophobicContact CG2-CD1 4.02Å; I678-L682 HydrophobicContact CG2-CG 4.47Å; I678-L682 WeakPolarHBondContact O-CG 3.48Å; I678-L682 PolarHBondContact O-N 3.09Å; L679-L682 PolarHBondContact O-N 2.82Å; V680-L682 VanDerWaalsContact C-N 3.33Å; V680-L682 PolarHBondContact O-N 3.37Å; L682-S685 WeakPolarHBondContact CA-OG 3.42Å; L682-S685 PolarHBondContact O-OG 2.75Å; L682-A686 WeakPolarHBondContact O-CB 3.38Å; L682-A686 PolarHBondContact O-N 2.95Å
683	A	84.9	Confident	85.4	Confident	55 Å²	55	97 Å²	97	46%	0.455	52%	0.523	S	S	.	.	H	α-helix	trans	-64.7	-42.1	173.4	0	0	0	0	0	112.2	L679 V680 A686 T687	L679-A683 PolarHBondContact O-N 3.36Å; V680-A683 PolarHBondContact O-N 2.69Å; A683-A686 PolarHBondContact O-N 2.91Å; A683-T687 WeakPolarHBondContact O-CB 3.28Å; A683-T687 WeakPolarHBondContact O-CG2 3.47Å; A683-T687 PolarHBondContact O-N 2.85Å; A683-T687 PolarHBondContact O-OG1 2.66Å
684	M	90.4	Very high	85	Confident	125 Å²	125	102.8 Å²	102.8	62%	0.616	54%	0.54	S	S	*	.	H	α-helix	trans	-66.5	-39.2	176.8	-72.2	-62	-66.5	0	0	112.9	V680 T687 F688	V680-M684 HydrophobicContact CG1-CG 4.4Å; V680-M684 WeakPolarHBondContact O-CB 3.38Å; V680-M684 WeakPolarHBondContact O-CG 3.07Å; V680-M684 PolarHBondContact O-N 3.02Å; M684-T687 WeakPolarHBondContact CA-OG1 3.47Å; M684-T687 PolarHBondContact O-OG1 3.33Å; M684-T687 VanDerWaalsContact O-OG1 3.06Å; M684-F688 VanDerWaalsContact O-CB 3.3Å; M684-F688 WeakPolarHBondContact O-CB 3.48Å; M684-F688 PolarHBondContact O-N 3.11Å
685	S	86.2	Confident	84.3	Confident	65 Å²	65	102.5 Å²	102.5	46%	0.455	54%	0.538	S	S	.	.	H	α-helix	trans	-72.9	-37.6	174.8	51.6	0	0	0	0	112.7	A681 L682 F688 F689	A681-S685 WeakPolarHBondContact O-CB 3.35Å; A681-S685 PolarHBondContact O-N 2.79Å; A681-S685 PolarHBondContact O-OG 2.85Å; L682-S685 WeakPolarHBondContact CA-OG 3.42Å; L682-S685 PolarHBondContact O-OG 2.75Å; S685-F688 PolarHBondContact O-N 2.93Å; S685-F689 VanDerWaalsContact O-CB 3.29Å; S685-F689 WeakPolarHBondContact O-CB 3.45Å; S685-F689 PolarHBondContact O-N 2.83Å
686	A	86.3	Confident	83.3	Confident	53 Å²	53	102.8 Å²	102.8	44%	0.438	54%	0.538	S	S	.	.	H	α-helix	trans	-64.9	-42.8	173.8	0	0	0	0	0	112.3	L682 A683 F689 C690	L682-A686 WeakPolarHBondContact O-CB 3.38Å; L682-A686 PolarHBondContact O-N 2.95Å; A683-A686 PolarHBondContact O-N 2.91Å; A686-F689 PolarHBondContact O-N 2.84Å; A686-C690 WeakPolarHBondContact O-CB 3.46Å; A686-C690 PolarHBondContact O-N 2.91Å; A686-C690 PolarHBondContact O-SG 2.78Å; A686-C690 VanDerWaalsContact O-SG 3.36Å
687	T	82.8	Confident	82.2	Confident	81 Å²	81	103.3 Å²	103.3	50%	0.497	54%	0.541	S	S	.	.	H	α-helix	trans	-66	-42.6	174.6	46.3	0	0	0	0	112.1	A683 M684 F689 C690 V691	A683-T687 WeakPolarHBondContact O-CB 3.28Å; A683-T687 WeakPolarHBondContact O-CG2 3.47Å; A683-T687 PolarHBondContact O-N 2.85Å; A683-T687 PolarHBondContact O-OG1 2.66Å; M684-T687 WeakPolarHBondContact CA-OG1 3.47Å; M684-T687 PolarHBondContact O-OG1 3.33Å; M684-T687 VanDerWaalsContact O-OG1 3.06Å; T687-F689 VanDerWaalsContact C-N 3.32Å; T687-F689 PolarHBondContact O-N 2.83Å; T687-C690 PolarHBondContact O-N 2.7Å; T687-V691 WeakPolarHBondContact O-CG2 3.42Å; T687-V691 PolarHBondContact O-N 3.26Å
688	F	86.8	Confident	80.8	Confident	130 Å²	130	100.4 Å²	100.4	57%	0.57	53%	0.529	S	S	*	.	H	α-helix	trans	-60.8	-40.4	172.7	-172.9	-99.8	0	0	0	112.2	M684 S685 V691 R692	M684-F688 VanDerWaalsContact O-CB 3.3Å; M684-F688 WeakPolarHBondContact O-CB 3.48Å; M684-F688 PolarHBondContact O-N 3.11Å; S685-F688 PolarHBondContact O-N 2.93Å; F688-V691 PolarHBondContact O-N 2.98Å; F688-R692 VanDerWaalsContact O-CB 3.25Å; F688-R692 WeakPolarHBondContact O-CB 3.4Å; F688-R692 PolarHBondContact O-N 2.86Å
689	F	86.3	Confident	79.2	Confident	126 Å²	126	101.7 Å²	101.7	55%	0.553	54%	0.535	S	S	*	.	H	α-helix	trans	-63.5	-46.2	174.6	-173.7	-95.1	0	0	0	111.7	S685 A686 T687 V691 R692 Q693	S685-F689 VanDerWaalsContact O-CB 3.29Å; S685-F689 WeakPolarHBondContact O-CB 3.45Å; S685-F689 PolarHBondContact O-N 2.83Å; A686-F689 PolarHBondContact O-N 2.84Å; T687-F689 VanDerWaalsContact C-N 3.32Å; T687-F689 PolarHBondContact O-N 2.83Å; F689-V691 PolarHBondContact O-N 3.3Å; F689-R692 PolarHBondContact O-N 2.91Å; F689-Q693 VanDerWaalsContact CE1-OE1 3.28Å; F689-Q693 VanDerWaalsContact O-CB 3.32Å; F689-Q693 WeakPolarHBondContact O-CB 3.39Å; F689-Q693 PolarHBondContact O-N 2.83Å
690	C	81.1	Confident	77.9	Confident	76 Å²	76	103.2 Å²	103.2	51%	0.514	54%	0.537	S	S	.	.	H	α-helix	trans	-62.6	-39.7	175.7	-75.3	0	0	0	0	113	A686 T687 R694	A686-C690 WeakPolarHBondContact O-CB 3.46Å; A686-C690 PolarHBondContact O-N 2.91Å; A686-C690 PolarHBondContact O-SG 2.78Å; A686-C690 VanDerWaalsContact O-SG 3.36Å; T687-C690 PolarHBondContact O-N 2.7Å; C690-R694 WeakPolarHBondContact O-CB 3.39Å; C690-R694 WeakPolarHBondContact O-CG 3.38Å; C690-R694 PolarHBondContact O-N 2.83Å
691	V	81.3	Confident	76.4	Confident	99 Å²	99	105.5 Å²	105.5	60%	0.6	54%	0.542	S	S	*	.	H	α-helix	trans	-64.9	-45.7	173.5	169.2	0	0	0	0	110.6	T687 F688 F689 Q693 R694 S695	T687-V691 WeakPolarHBondContact O-CG2 3.42Å; T687-V691 PolarHBondContact O-N 3.26Å; F688-V691 PolarHBondContact O-N 2.98Å; F689-V691 PolarHBondContact O-N 3.3Å; V691-Q693 VanDerWaalsContact C-N 3.34Å; V691-Q693 PolarHBondContact O-N 3.4Å; V691-R694 PolarHBondContact O-N 3.47Å; V691-S695 PolarHBondContact O-N 3.13Å
692	R	78.5	Confident	74.6	Confident	165 Å²	165	108.3 Å²	108.3	62%	0.623	54%	0.543	S	S	*	.	H	α-helix	trans	-65.5	-35.2	177.8	-170.9	172	-180	138.4	-1.6	112.5	F688 F689 S695 H696	F688-R692 VanDerWaalsContact O-CB 3.25Å; F688-R692 WeakPolarHBondContact O-CB 3.4Å; F688-R692 PolarHBondContact O-N 2.86Å; F689-R692 PolarHBondContact O-N 2.91Å; R692-S695 WeakPolarHBondContact CA-OG 3.26Å; R692-S695 PolarHBondContact O-N 2.94Å; R692-S695 PolarHBondContact O-OG 3.23Å; R692-H696 WeakPolarHBondContact O-CB 3.33Å; R692-H696 PolarHBondContact O-N 3.48Å
693	Q	75.8	Confident	72.9	Confident	104 Å²	104	109.1 Å²	109.1	49%	0.486	55%	0.547	S	S	.	.	H	α-helix	trans	-73.5	-39.9	175.9	-171.3	143.5	-40.2	0	0	111.5	F689 V691 H696 L697	F689-Q693 VanDerWaalsContact CE1-OE1 3.28Å; F689-Q693 VanDerWaalsContact O-CB 3.32Å; F689-Q693 WeakPolarHBondContact O-CB 3.39Å; F689-Q693 PolarHBondContact O-N 2.83Å; V691-Q693 VanDerWaalsContact C-N 3.34Å; V691-Q693 PolarHBondContact O-N 3.4Å; Q693-H696 PolarHBondContact O-N 2.95Å; Q693-L697 WeakPolarHBondContact O-CG 3.4Å; Q693-L697 PolarHBondContact O-N 2.82Å
694	R	72.8	Confident	71.5	Confident	201 Å²	201	110 Å²	110	76%	0.758	56%	0.555	S	S	*	*	H	α-helix	trans	-59.8	-43.5	168.5	-79.8	-177.3	171.6	-174.5	-2.5	111.8	C690 V691 H696 L697 H698	C690-R694 WeakPolarHBondContact O-CB 3.39Å; C690-R694 WeakPolarHBondContact O-CG 3.38Å; C690-R694 PolarHBondContact O-N 2.83Å; V691-R694 PolarHBondContact O-N 3.47Å; R694-H696 VanDerWaalsContact C-N 3.31Å; R694-H696 PolarHBondContact O-N 3.45Å; R694-L697 PolarHBondContact O-N 2.83Å; R694-H698 WeakPolarHBondContact O-CB 3.13Å; R694-H698 PolarHBondContact O-N 2.85Å
695	S	69.1	Low	69.7	Low	59 Å²	59	107.6 Å²	107.6	41%	0.413	55%	0.55	S	S	.	.	H	α-helix	trans	-64.8	-35.6	175.8	72.1	0	0	0	0	112	V691 R692 M699	V691-S695 PolarHBondContact O-N 3.13Å; R692-S695 WeakPolarHBondContact CA-OG 3.26Å; R692-S695 PolarHBondContact O-N 2.94Å; R692-S695 PolarHBondContact O-OG 3.23Å; S695-M699 VanDerWaalsContact O-CB 3.32Å; S695-M699 WeakPolarHBondContact O-CB 3.49Å; S695-M699 WeakPolarHBondContact O-CG 3.34Å; S695-M699 PolarHBondContact O-N 2.67Å
696	H	65.2	Low	67.9	Low	121 Å²	121	110.7 Å²	110.7	56%	0.56	56%	0.561	S	S	*	*	H	α-helix	trans	-72.7	-29.4	177.3	-159.6	-46.3	0	0	0	113	R692 Q693 R694 K700	R692-H696 WeakPolarHBondContact O-CB 3.33Å; R692-H696 PolarHBondContact O-N 3.48Å; Q693-H696 PolarHBondContact O-N 2.95Å; R694-H696 VanDerWaalsContact C-N 3.31Å; R694-H696 PolarHBondContact O-N 3.45Å; H696-K700 PolarHBondContact O-N 3.15Å; H696-K700 VanDerWaalsContact O-N 3.09Å
697	L	62.6	Low	66.4	Low	108 Å²	108	111.4 Å²	111.4	57%	0.565	57%	0.573	S	S	*	*	H	α-helix	trans	-71.9	-47.6	170.8	-71.3	168	0	0	0	111.1	Q693 R694 M699 K700 E701	Q693-L697 WeakPolarHBondContact O-CG 3.4Å; Q693-L697 PolarHBondContact O-N 2.82Å; R694-L697 PolarHBondContact O-N 2.83Å; L697-M699 VanDerWaalsContact C-N 3.29Å; L697-M699 PolarHBondContact O-N 3.32Å; L697-K700 CarbonylContact O-C 3.57Å; L697-K700 WeakPolarHBondContact O-CA 3.43Å; L697-K700 WeakPolarHBondContact O-CB 3.5Å; L697-K700 PolarHBondContact O-N 3.19Å; L697-E701 PolarHBondContact O-N 3.06Å
698	H	59.3	Low	65	Low	97 Å²	97	112.5 Å²	112.5	45%	0.449	58%	0.58	S	S	.	*	H	α-helix	trans	-61.6	-33.8	174.2	176.6	-121.5	0	0	0	112.8	R694 E701 K702	R694-H698 WeakPolarHBondContact O-CB 3.13Å; R694-H698 PolarHBondContact O-N 2.85Å; H698-E701 PolarHBondContact O-N 3.22Å; H698-K702 WeakPolarHBondContact O-CG 3.4Å; H698-K702 PolarHBondContact O-N 3.04Å
699	M	56.6	Low	62.7	Low	118 Å²	118	112.7 Å²	112.7	58%	0.581	59%	0.587	S	S	*	*	H	α-helix	trans	-67	-38.7	169.6	-76.2	-72.1	-164.9	0	0	112.4	S695 L697 E701 K702 L703	S695-M699 VanDerWaalsContact O-CB 3.32Å; S695-M699 WeakPolarHBondContact O-CB 3.49Å; S695-M699 WeakPolarHBondContact O-CG 3.34Å; S695-M699 PolarHBondContact O-N 2.67Å; L697-M699 VanDerWaalsContact C-N 3.29Å; L697-M699 PolarHBondContact O-N 3.32Å; M699-E701 VanDerWaalsContact C-N 3.33Å; M699-K702 PolarHBondContact O-N 3.12Å; M699-L703 WeakPolarHBondContact O-CB 3.2Å; M699-L703 VanDerWaalsContact O-CG 3.3Å; M699-L703 WeakPolarHBondContact O-CG 3.41Å; M699-L703 PolarHBondContact O-N 3.42Å
700	K	59.5	Low	61.2	Low	136 Å²	136	113.7 Å²	113.7	59%	0.591	60%	0.603	S	S	*	*	H	α-helix	trans	-64.9	-37.7	172.5	-87	-170.5	170.6	-170.5	0	112.1	H696 L697 L703 A704	H696-K700 PolarHBondContact O-N 3.15Å; H696-K700 VanDerWaalsContact O-N 3.09Å; L697-K700 CarbonylContact O-C 3.57Å; L697-K700 WeakPolarHBondContact O-CA 3.43Å; L697-K700 WeakPolarHBondContact O-CB 3.5Å; L697-K700 PolarHBondContact O-N 3.19Å; K700-L703 PolarHBondContact O-N 3.13Å; K700-A704 PolarHBondContact O-N 2.94Å
701	E	56.7	Low	59.9	Low	136 Å²	136	114.8 Å²	114.8	64%	0.636	61%	0.612	S	S	*	*	H	α-helix	trans	-64.4	-45.2	176.7	-159.4	162.9	-137.2	0	0	110.8	L697 H698 M699 L703 A704 S705	L697-E701 PolarHBondContact O-N 3.06Å; H698-E701 PolarHBondContact O-N 3.22Å; M699-E701 VanDerWaalsContact C-N 3.33Å; E701-L703 VanDerWaalsContact C-N 3.35Å; E701-L703 PolarHBondContact O-N 3.18Å; E701-A704 WeakPolarHBondContact O-CB 3.49Å; E701-A704 PolarHBondContact O-N 3.24Å; E701-S705 PolarHBondContact O-N 2.97Å; E701-S705 PolarHBondContact O-OG 2.73Å
702	K	54	Low	58.6	Low	117 Å²	117	117.7 Å²	117.7	51%	0.509	62%	0.619	S	S	.	*	H	α-helix	trans	-64.3	-33.1	171.4	-73.2	-167.3	172.1	-161.4	0	114.2	H698 M699 S705 L706	H698-K702 WeakPolarHBondContact O-CG 3.4Å; H698-K702 PolarHBondContact O-N 3.04Å; M699-K702 PolarHBondContact O-N 3.12Å; K702-S705 WeakPolarHBondContact CA-OG 3.47Å; K702-S705 PolarHBondContact O-OG 2.89Å; K702-L706 WeakPolarHBondContact O-CD1 3.47Å; K702-L706 WeakPolarHBondContact O-CG 3.38Å; K702-L706 PolarHBondContact O-N 3.19Å
703	L	55.5	Low	57.3	Low	120 Å²	120	116 Å²	116	63%	0.628	62%	0.622	S	S	*	*	H	α-helix	trans	-73	-29	173.3	-76.4	164.9	0	0	0	112.5	M699 K700 E701 L706	M699-L703 WeakPolarHBondContact O-CB 3.2Å; M699-L703 VanDerWaalsContact O-CG 3.3Å; M699-L703 WeakPolarHBondContact O-CG 3.41Å; M699-L703 PolarHBondContact O-N 3.42Å; K700-L703 PolarHBondContact O-N 3.13Å; E701-L703 VanDerWaalsContact C-N 3.35Å; E701-L703 PolarHBondContact O-N 3.18Å; L703-L706 HydrophobicContact CD2-CD1 4.27Å; L703-L706 PolarHBondContact O-N 2.88Å
704	A	55.8	Low	56.2	Low	74 Å²	74	115 Å²	115	61%	0.612	63%	0.632	S	S	*	*	H	α-helix	trans	-71.1	-41.2	172.4	0	0	0	0	0	111.5	K700 E701 L706 G707	K700-A704 PolarHBondContact O-N 2.94Å; E701-A704 WeakPolarHBondContact O-CB 3.49Å; E701-A704 PolarHBondContact O-N 3.24Å; A704-L706 PolarHBondContact O-N 2.85Å; A704-G707 PolarHBondContact O-N 2.86Å
705	S	51.3	Low	55.3	Low	73 Å²	73	109.4 Å²	109.4	51%	0.51	62%	0.62	S	S	.	*	H	α-helix	trans	-68.9	-15	173.3	58.3	0	0	0	0	114.2	E701 K702 G707 T708	E701-S705 PolarHBondContact O-N 2.97Å; E701-S705 PolarHBondContact O-OG 2.73Å; K702-S705 WeakPolarHBondContact CA-OG 3.47Å; K702-S705 PolarHBondContact O-OG 2.89Å; S705-G707 PolarHBondContact O-N 3.11Å; S705-T708 PolarHBondContact O-OG1 2.93Å
706	L	49.6	Very low	54.7	Low	130 Å²	130	108.8 Å²	108.8	68%	0.681	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	0.1	172.8	-82.7	162.2	0	0	0	113.5	K702 L703 A704	K702-L706 WeakPolarHBondContact O-CD1 3.47Å; K702-L706 WeakPolarHBondContact O-CG 3.38Å; K702-L706 PolarHBondContact O-N 3.19Å; L703-L706 HydrophobicContact CD2-CD1 4.27Å; L703-L706 PolarHBondContact O-N 2.88Å; A704-L706 PolarHBondContact O-N 2.85Å
707	G	53.1	Low	54.2	Low	68 Å²	68	105.6 Å²	105.6	70%	0.701	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	-10.7	177.5	0	0	0	0	0	115.7	A704 S705	A704-G707 PolarHBondContact O-N 2.86Å; S705-G707 PolarHBondContact O-N 3.11Å
708	T	54.3	Low	53.8	Low	105 Å²	105	108.4 Å²	108.4	64%	0.644	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.6	-29.3	-167.2	49.2	0	0	0	0	116.1	S705	S705-T708 PolarHBondContact O-OG1 2.93Å
709	D	39.2	Very low	53.9	Low	134 Å²	134	110.1 Å²	110.1	72%	0.717	63%	0.626	S	S	*	*			trans	-115.5	103.3	-167.8	-71.2	-79.5	0	0	0	113.4	S711	D709-S711 PolarHBondContact O-N 3.36Å
710	T	53.5	Low	53.9	Low	146 Å²	146	107.7 Å²	107.7	90%	0.896	61%	0.613	S	S	*	*			trans	-92.1	75.3	-178.3	47.1	0	0	0	0	112.8
711	S	55.1	Low	54	Low	100 Å²	100	106.6 Å²	106.6	70%	0.699	61%	0.613	S	S	*	*	S	Bend	trans	-155.1	148.4	162.7	-159.9	0	0	0	0	115.6	D709 D713	D709-S711 PolarHBondContact O-N 3.36Å; S711-D713 VanDerWaalsContact C-N 3.31Å; S711-D713 PolarHBondContact O-N 3.29Å
712	H	52.8	Low	53.9	Low	160 Å²	160	102.9 Å²	102.9	74%	0.741	60%	0.601	S	S	*	*	S	Bend	trans	59.3	-46.4	159.9	-128.1	-86.2	0	0	0	120.7	T715	H712-T715 PolarHBondContact O-N 3.48Å; H712-T715 PolarHBondContact O-OG1 2.66Å
713	D	52.5	Low	54.6	Low	128 Å²	128	105 Å²	105	68%	0.684	61%	0.606	S	S	*	*	H	α-helix	trans	-78.8	-31.8	-160.9	-133.6	24.5	0	0	0	113.7	S711 T715 A716 A717	S711-D713 VanDerWaalsContact C-N 3.31Å; S711-D713 PolarHBondContact O-N 3.29Å; D713-T715 PolarHBondContact O-N 3.27Å; D713-A716 PolarHBondContact O-N 3.29Å; D713-A716 VanDerWaalsContact O-N 3.11Å; D713-A717 PolarHBondContact O-N 3.35Å
714	A	51.8	Low	54.6	Low	85 Å²	85	103.8 Å²	103.8	70%	0.702	60%	0.597	S	S	*	*	H	α-helix	trans	-60	-33.7	175.7	0	0	0	0	0	112.7	Y718	A714-Y718 PolarHBondContact O-N 2.75Å
715	T	54.2	Low	54.5	Low	83 Å²	83	110.4 Å²	110.4	51%	0.509	61%	0.606	S	S	.	*	H	α-helix	trans	-66.2	-41.2	175.3	-1.3	0	0	0	0	112	H712 D713 Y718 Q719	H712-T715 PolarHBondContact O-N 3.48Å; H712-T715 PolarHBondContact O-OG1 2.66Å; D713-T715 PolarHBondContact O-N 3.27Å; T715-Y718 PolarHBondContact O-N 2.84Å; T715-Q719 WeakPolarHBondContact O-CG 3.31Å; T715-Q719 PolarHBondContact O-N 3.31Å
716	A	56.2	Low	54.1	Low	46 Å²	46	113.6 Å²	113.6	38%	0.38	62%	0.615	S	S	.	*	H	α-helix	trans	-67.4	-42.6	177	0	0	0	0	0	111.3	D713 Y718 Q719 E720	D713-A716 PolarHBondContact O-N 3.29Å; D713-A716 VanDerWaalsContact O-N 3.11Å; A716-Y718 VanDerWaalsContact C-N 3.35Å; A716-Y718 PolarHBondContact O-N 2.59Å; A716-Q719 PolarHBondContact O-N 2.91Å; A716-E720 WeakPolarHBondContact O-CB 3.4Å; A716-E720 PolarHBondContact O-N 2.96Å
717	A	54.7	Low	54.1	Low	53 Å²	53	109.9 Å²	109.9	44%	0.438	60%	0.603	S	S	.	*	H	α-helix	trans	-60.9	-40.7	175.2	0	0	0	0	0	112.6	D713 L721	D713-A717 PolarHBondContact O-N 3.35Å; A717-L721 WeakPolarHBondContact O-CB 3.12Å; A717-L721 WeakPolarHBondContact O-CG 3.16Å; A717-L721 PolarHBondContact O-N 2.87Å
718	Y	54.4	Low	53.9	Low	168 Å²	168	113.8 Å²	113.8	66%	0.659	61%	0.606	S	S	*	*	H	α-helix	trans	-65.3	-44.9	174.9	-175.6	-98	0	0	0	112.2	A714 T715 A716 E720 L721 C722	A714-Y718 PolarHBondContact O-N 2.75Å; T715-Y718 PolarHBondContact O-N 2.84Å; A716-Y718 VanDerWaalsContact C-N 3.35Å; A716-Y718 PolarHBondContact O-N 2.59Å; Y718-E720 PolarHBondContact O-N 3.44Å; Y718-L721 PolarHBondContact O-N 2.71Å; Y718-C722 PolarHBondContact O-N 3.03Å
719	Q	60.1	Low	53.2	Low	133 Å²	133	117.6 Å²	117.6	62%	0.621	61%	0.614	S	S	*	*	H	α-helix	trans	-62.4	-40.5	176.8	-74.4	175.2	-12.5	0	0	112.4	T715 A716 C722 R723	T715-Q719 WeakPolarHBondContact O-CG 3.31Å; T715-Q719 PolarHBondContact O-N 3.31Å; A716-Q719 PolarHBondContact O-N 2.91Å; Q719-C722 WeakPolarHBondContact O-CB 3.46Å; Q719-C722 PolarHBondContact O-N 2.85Å; Q719-R723 WeakPolarHBondContact O-CB 2.96Å; Q719-R723 PolarHBondContact O-N 2.91Å
720	E	58.5	Low	52.9	Low	66 Å²	66	115.3 Å²	115.3	31%	0.308	61%	0.605	S	S	.	*	H	α-helix	trans	-68.4	-39.1	177.1	-179.3	56.7	-160.5	0	0	112	A716 Y718 C722 R723 Q724	A716-E720 WeakPolarHBondContact O-CB 3.4Å; A716-E720 PolarHBondContact O-N 2.96Å; Y718-E720 PolarHBondContact O-N 3.44Å; E720-C722 PolarHBondContact O-N 3.26Å; E720-R723 WeakPolarHBondContact O-CB 3.41Å; E720-R723 PolarHBondContact O-N 2.82Å; E720-R723 IonicContact OE1-CZ 2.72Å; E720-R723 IonicContact OE1-NE 3.53Å; E720-R723 IonicContact OE1-NH2 2.74Å; E720-R723 PolarHBondContact OE1-NH2 3.44Å; E720-R723 IonicContact OE2-CZ 2.69Å; E720-R723 IonicContact OE2-NE 2.35Å; E720-R723 PolarHBondContact OE2-NE 3.13Å; E720-R723 IonicContact OE2-NH2 3.19Å; E720-R723 PolarHBondContact OE2-NH2 3.41Å; E720-Q724 WeakPolarHBondContact O-CB 3.48Å; E720-Q724 VanDerWaalsContact O-CG 3.31Å; E720-Q724 WeakPolarHBondContact O-CG 3.45Å; E720-Q724 PolarHBondContact O-N 2.91Å; E720-Q724 PolarHBondContact OE1-NE2 3.44Å
721	L	60.5	Low	52	Low	113 Å²	113	114.1 Å²	114.1	59%	0.592	60%	0.602	S	S	*	*	H	α-helix	trans	-64.3	-38.2	172.4	-74.5	169.2	0	0	0	112.1	A717 Y718 R725	A717-L721 WeakPolarHBondContact O-CB 3.12Å; A717-L721 WeakPolarHBondContact O-CG 3.16Å; A717-L721 PolarHBondContact O-N 2.87Å; Y718-L721 PolarHBondContact O-N 2.71Å; L721-R725 VanDerWaalsContact O-CB 3.29Å; L721-R725 WeakPolarHBondContact O-CB 3.43Å; L721-R725 PolarHBondContact O-N 3.22Å
722	C	54.9	Low	51	Low	58 Å²	58	117.8 Å²	117.8	39%	0.392	61%	0.609	S	S	.	*	H	α-helix	trans	-62.6	-42.6	170.2	-77.6	0	0	0	0	111.9	Y718 Q719 E720 R725 M726	Y718-C722 PolarHBondContact O-N 3.03Å; Q719-C722 WeakPolarHBondContact O-CB 3.46Å; Q719-C722 PolarHBondContact O-N 2.85Å; E720-C722 PolarHBondContact O-N 3.26Å; C722-R725 PolarHBondContact O-N 3.45Å; C722-M726 WeakPolarHBondContact O-CG 3.46Å; C722-M726 PolarHBondContact O-N 3.28Å; C722-M726 VanDerWaalsContact O-N 3.09Å
723	R	68	Low	49.8	Very low	162 Å²	162	121.3 Å²	121.3	61%	0.611	62%	0.615	S	S	*	*	H	α-helix	trans	-63	-45.6	177.6	-164	-178.5	72.6	95	3.7	111.9	Q719 E720 M726 A727	Q719-R723 WeakPolarHBondContact O-CB 2.96Å; Q719-R723 PolarHBondContact O-N 2.91Å; E720-R723 WeakPolarHBondContact O-CB 3.41Å; E720-R723 PolarHBondContact O-N 2.82Å; E720-R723 IonicContact OE1-CZ 2.72Å; E720-R723 IonicContact OE1-NE 3.53Å; E720-R723 IonicContact OE1-NH2 2.74Å; E720-R723 PolarHBondContact OE1-NH2 3.44Å; E720-R723 IonicContact OE2-CZ 2.69Å; E720-R723 IonicContact OE2-NE 2.35Å; E720-R723 PolarHBondContact OE2-NE 3.13Å; E720-R723 IonicContact OE2-NH2 3.19Å; E720-R723 PolarHBondContact OE2-NH2 3.41Å; R723-M726 PolarHBondContact O-N 2.88Å; R723-A727 WeakPolarHBondContact O-CB 3.48Å; R723-A727 PolarHBondContact O-N 3.48Å
724	Q	56.8	Low	48.6	Very low	94 Å²	94	120.7 Å²	120.7	44%	0.439	62%	0.616	S	S	.	*	H	α-helix	trans	-65.8	-39.7	177.4	-69.7	175	11.8	0	0	112.2	E720 M726 A727 I728	E720-Q724 WeakPolarHBondContact O-CB 3.48Å; E720-Q724 VanDerWaalsContact O-CG 3.31Å; E720-Q724 WeakPolarHBondContact O-CG 3.45Å; E720-Q724 PolarHBondContact O-N 2.91Å; E720-Q724 PolarHBondContact OE1-NE2 3.44Å; Q724-M726 VanDerWaalsContact C-N 3.28Å; Q724-M726 PolarHBondContact O-N 3.44Å; Q724-A727 PolarHBondContact O-N 3.42Å; Q724-I728 WeakPolarHBondContact O-CG1 3.48Å; Q724-I728 PolarHBondContact O-N 3.04Å
725	R	52.4	Low	47.5	Very low	213 Å²	213	125.9 Å²	125.9	80%	0.804	63%	0.626	S	S	*	*	H	α-helix	trans	-68.5	-25.2	177.2	-159.3	175.4	-166.4	-176.9	4.7	113.3	L721 C722	L721-R725 VanDerWaalsContact O-CB 3.29Å; L721-R725 WeakPolarHBondContact O-CB 3.43Å; L721-R725 PolarHBondContact O-N 3.22Å; C722-R725 PolarHBondContact O-N 3.45Å
726	M	44.4	Very low	46.2	Very low	140 Å²	140	132.8 Å²	132.8	69%	0.69	64%	0.642	S	S	*	*	H	α-helix	trans	-79.2	-41.8	168.9	-68.6	-64.5	-126.8	0	0	112	C722 R723 Q724 I728 K729	C722-M726 WeakPolarHBondContact O-CG 3.46Å; C722-M726 PolarHBondContact O-N 3.28Å; C722-M726 VanDerWaalsContact O-N 3.09Å; R723-M726 PolarHBondContact O-N 2.88Å; Q724-M726 VanDerWaalsContact C-N 3.28Å; Q724-M726 PolarHBondContact O-N 3.44Å; M726-I728 VanDerWaalsContact C-N 3.28Å; M726-I728 PolarHBondContact O-N 3.31Å; M726-K729 PolarHBondContact O-N 3.41Å
727	A	49.4	Very low	45.1	Very low	53 Å²	53	135 Å²	135	44%	0.438	65%	0.653	S	S	.	*	H	α-helix	trans	-59.3	-35	-178.5	0	0	0	0	0	113.7	R723 Q724 K729 T730	R723-A727 WeakPolarHBondContact O-CB 3.48Å; R723-A727 PolarHBondContact O-N 3.48Å; Q724-A727 PolarHBondContact O-N 3.42Å; A727-K729 PolarHBondContact O-N 3.19Å; A727-T730 PolarHBondContact O-N 2.99Å; A727-T730 PolarHBondContact O-OG1 3.5Å; A727-T730 VanDerWaalsContact O-OG1 3.08Å
728	I	48	Very low	43.7	Very low	149 Å²	149	141.1 Å²	141.1	76%	0.764	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65	-17.5	176	-68	167.9	0	0	0	112.4	Q724 M726	Q724-I728 WeakPolarHBondContact O-CG1 3.48Å; Q724-I728 PolarHBondContact O-N 3.04Å; M726-I728 VanDerWaalsContact C-N 3.28Å; M726-I728 PolarHBondContact O-N 3.31Å
729	K	39.4	Very low	42.6	Very low	185 Å²	185	139.4 Å²	139.4	80%	0.804	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.8	4.2	176.8	-95.8	-169.4	171.6	-170	0	115	M726 A727	M726-K729 PolarHBondContact O-N 3.41Å; A727-K729 PolarHBondContact O-N 3.19Å
730	T	33.1	Very low	41	Very low	86 Å²	86	140.2 Å²	140.2	53%	0.528	69%	0.687	S	S	.	*	S	Bend	trans	-123	13.7	-172.4	52.2	0	0	0	0	114.9	A727	A727-T730 PolarHBondContact O-N 2.99Å; A727-T730 PolarHBondContact O-OG1 3.5Å; A727-T730 VanDerWaalsContact O-OG1 3.08Å
731	S	34.7	Very low	39.7	Very low	121 Å²	121	147.2 Å²	147.2	85%	0.846	71%	0.711	S	S	*	*	S	Bend	trans	-91.1	-1.6	173.9	-165.8	0	0	0	0	114.2
732	E	35.1	Very low	38.1	Very low	177 Å²	177	150.1 Å²	150.1	83%	0.827	72%	0.721	S	S	*	*	S	Bend	trans	-123.5	117	170.9	-169.4	174.2	-166.7	0	0	108.8
733	R	27.5	Very low	36.8	Very low	234 Å²	234	152.5 Å²	152.5	88%	0.883	74%	0.739	S	S	*	*			trans	56.7	100.3	-176.7	-176.9	-175.3	-88.7	137.4	-7	116.3
734	V	27.7	Very low	35.1	Very low	116 Å²	116	156 Å²	156	70%	0.703	75%	0.752	S	S	*	*			trans	-139.2	107.7	141.1	-178.1	0	0	0	0	110.5
735	E	26.7	Very low	33.7	Very low	194 Å²	194	159.6 Å²	159.6	91%	0.907	77%	0.773	S	S	*	*	S	Bend	trans	-139.9	91.4	143	-90.5	-141.5	117.2	0	0	109.8
736	R	27.8	Very low	32.6	Very low	227 Å²	227	157.1 Å²	157.1	86%	0.857	78%	0.776	S	S	*	*			trans	63	166.5	153.6	-103.7	-167.3	148.6	69.6	6.3	118.3
737	P	33.9	Very low	31.8	Very low	92 Å²	92	156.2 Å²	156.2	60%	0.597	78%	0.783	S	S	*	*				-132.1	163.9	-113.9	41.1	-23.5	0	0	0	117.3
738	E	25.1	Very low	30.8	Very low	182 Å²	182	160.1 Å²	160.1	85%	0.85	80%	0.801	S	S	*	*			trans	44.3	115.8	147	-67.3	177	-150.3	0	0	120.9
739	T	30.4	Very low	29.8	Very low	132 Å²	132	157.9 Å²	157.9	81%	0.81	80%	0.799	S	S	*	*				-157.2	125.7	104.5	47.6	0	0	0	0	113.3
740	L	27.8	Very low	29.3	Very low	150 Å²	150	153.6 Å²	153.6	79%	0.785	79%	0.792	S	S	*	*			trans	43.3	124.1	137.9	-78.8	158.9	0	0	0	123.3
741	R	29.2	Very low	29.3	Very low	214 Å²	214	158 Å²	158	81%	0.808	81%	0.807	S	S	*	*			trans	91.5	112.2	143.2	-67.1	179.8	-179.1	179.2	2.7	121.7
742	H	27	Very low	29	Very low	174 Å²	174	161 Å²	161	81%	0.806	81%	0.805	S	S	*	*				41.5	129.8	123	-72	-82.8	0	0	0	122.6
743	S	28.8	Very low	28.8	Very low	108 Å²	108	158.5 Å²	158.5	76%	0.755	81%	0.807	S	S	*	*			trans	88.7	122.1	142	-62.1	0	0	0	0	120.3
744	R	31.4	Very low	29	Very low	235 Å²	235	155.1 Å²	155.1	89%	0.887	81%	0.806	S	S	*	*			trans	16.9	128.3	142.7	-60.1	174.7	174.1	170.7	-3.9	118.2
745	L	28.3	Very low	29.2	Very low	170 Å²	170	152 Å²	152	89%	0.89	80%	0.797	S	S	*	*				-176.3	166.6	104.4	-97.9	168.1	0	0	0	112.2
746	N	28.8	Very low	29.5	Very low	160 Å²	160	149.7 Å²	149.7	86%	0.856	80%	0.8	S	S	*	*			trans	-75.7	146.5	171.9	-65.1	-8	0	0	0	111.2
747	S	27.2	Very low	29.7	Very low	121 Å²	121	145.3 Å²	145.3	85%	0.846	80%	0.798	S	S	*	*			trans	-156.5	165.3	152.3	52.6	0	0	0	0	110.6
748	V	28.1	Very low	29.5	Very low	135 Å²	135	145.2 Å²	145.2	82%	0.818	80%	0.804	S	S	*	*			trans	-126	164.3	-166.8	-172.3	0	0	0	0	109.6
749	S	27.6	Very low	29.6	Very low	102 Å²	102	141.9 Å²	141.9	71%	0.713	80%	0.802	S	S	*	*			trans	84.7	106.6	159.9	-74.2	0	0	0	0	120.3
750	S	29	Very low	29.7	Very low	95 Å²	95	141.4 Å²	141.4	66%	0.664	80%	0.8	S	S	*	*				106.9	156.5	107.4	79.2	0	0	0	0	120.6
751	Q	32.6	Very low	29.7	Very low	180 Å²	180	138.9 Å²	138.9	84%	0.841	80%	0.795	S	S	*	*			trans	85.9	141.7	158.4	-71.6	173.1	74.7	0	0	120
752	F	28.9	Very low	29.9	Very low	184 Å²	184	136.1 Å²	136.1	81%	0.807	80%	0.802	S	S	*	*			trans	-64.9	153.8	-170.4	-69.5	-109	0	0	0	113.7
753	S	31.4	Very low	30.6	Very low	123 Å²	123	138.4 Å²	138.4	86%	0.86	80%	0.804	S	S	*	*			trans	-153.7	122.1	145.7	-75.1	0	0	0	0	108.5
754	D	32.2	Very low	30.6	Very low	163 Å²	163	137.8 Å²	137.8	87%	0.872	80%	0.8	S	S	*	*			trans	-75.2	140.3	177.1	-75.4	-63.7	0	0	0	111.7
755	G	31.1	Very low	30.8	Very low	50 Å²	50	132.4 Å²	132.4	52%	0.515	80%	0.798	S	S	.	*			trans	-168.3	141.6	173	0	0	0	0	0	109.6	V757	G755-V757 VanDerWaalsContact C-N 3.33Å; G755-V757 PolarHBondContact O-N 2.98Å
756	P	32.9	Very low	30.9	Very low	147 Å²	147	129.9 Å²	129.9	96%	0.955	79%	0.79	S	S	*	*			trans	-76.4	81.3	-173	31	-35.6	0	0	0	111.5	A758	P756-A758 PolarHBondContact O-N 3.43Å
757	V	32.1	Very low	31.3	Very low	134 Å²	134	127.8 Å²	127.8	81%	0.812	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-77.7	119.8	172.8	-162.6	0	0	0	0	108.9	G755 S759	G755-V757 VanDerWaalsContact C-N 3.33Å; G755-V757 PolarHBondContact O-N 2.98Å; V757-S759 PolarHBondContact O-N 3.28Å
758	A	29.2	Very low	31.5	Very low	90 Å²	90	126.6 Å²	126.6	74%	0.744	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-62	134	176.2	0	0	0	0	0	111	P756	P756-A758 PolarHBondContact O-N 3.43Å
759	S	27.8	Very low	32	Very low	113 Å²	113	129.4 Å²	129.4	79%	0.79	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-56.5	126.9	-178	-53.3	0	0	0	0	111.6	V757 S761	V757-S759 PolarHBondContact O-N 3.28Å; S759-S761 PolarHBondContact O-N 2.96Å
760	P	32.2	Very low	32.4	Very low	121 Å²	121	128.4 Å²	128.4	79%	0.786	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-63.9	124	169.5	27.2	-32.6	0	0	0	108.5	T762	P760-T762 PolarHBondContact O-N 3.42Å
761	S	27.6	Very low	32.8	Very low	97 Å²	97	131.8 Å²	131.8	68%	0.678	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-62	133	-176.3	49.6	0	0	0	0	111.2	S759 R763	S759-S761 PolarHBondContact O-N 2.96Å; S761-R763 PolarHBondContact O-N 3.49Å
762	T	32.8	Very low	32.9	Very low	156 Å²	156	131.6 Å²	131.6	96%	0.957	77%	0.772	S	S	*	*	S	Bend	trans	-71.4	27	179.5	45.6	0	0	0	0	113.6	P760	P760-T762 PolarHBondContact O-N 3.42Å
763	R	42.7	Very low	33.7	Very low	223 Å²	223	127.9 Å²	127.9	84%	0.842	77%	0.766	S	S	*	*			trans	-134.4	60.6	-160.4	-160.3	-176.7	-174.3	-157	3	112.8	S761	S761-R763 PolarHBondContact O-N 3.49Å
764	S	28.2	Very low	34.5	Very low	95 Å²	95	128 Å²	128	66%	0.664	76%	0.761	S	S	*	*			trans	-132.6	77	172.2	61.2	0	0	0	0	110.9	T766	S764-T766 PolarHBondContact O-N 3.37Å
765	S	36.8	Very low	35.5	Very low	122 Å²	122	124.7 Å²	124.7	85%	0.853	75%	0.749	S	S	*	*			trans	-75.7	64.9	-178.3	-51.4	0	0	0	0	112.6
766	T	30	Very low	36.7	Very low	117 Å²	117	124.1 Å²	124.1	72%	0.718	74%	0.737	S	S	*	*			trans	-118.5	117.2	173.4	48.3	0	0	0	0	109.8	S764 S768	S764-T766 PolarHBondContact O-N 3.37Å; T766-S768 PolarHBondContact O-N 3.02Å
767	S	36.8	Very low	38	Very low	115 Å²	115	123 Å²	123	80%	0.804	72%	0.723	S	S	*	*			trans	-68.3	96.4	-171.7	55.2	0	0	0	0	112.9
768	S	31.5	Very low	39.9	Very low	96 Å²	96	117.2 Å²	117.2	67%	0.671	69%	0.688	S	S	*	*			trans	-102.4	116.2	162.3	-173.6	0	0	0	0	108.8	T766	T766-S768 PolarHBondContact O-N 3.02Å
769	W	38.1	Very low	42.2	Very low	194 Å²	194	116.1 Å²	116.1	74%	0.735	67%	0.669	S	S	*	*			trans	-76.4	136.9	173.5	-64.4	88.4	0	0	0	109.3	E771	W769-E771 PolarHBondContact O-N 2.85Å
770	C	36.7	Very low	44.9	Very low	82 Å²	82	114.8 Å²	114.8	55%	0.554	65%	0.652	S	S	*	*			trans	-69.9	96	167.1	-63.1	0	0	0	0	108.8	K987	C770-K987 WeakPolarHBondContact O-CE 3.46Å
771	E	37.1	Very low	47.3	Very low	165 Å²	165	113 Å²	113	77%	0.771	64%	0.643	S	S	*	*			trans	-70.6	-41.2	-178.3	-71.1	-160	104.2	0	0	112.3	W769 K987	W769-E771 PolarHBondContact O-N 2.85Å; E771-K987 PolarHBondContact O-NZ 3.26Å
772	E	35.5	Very low	49.9	Very low	176 Å²	176	109.2 Å²	109.2	82%	0.822	62%	0.615	S	S	*	*	S	Bend	trans	-78.1	128.2	179	-66.1	-172.6	123.9	0	0	112
773	P	44.9	Very low	52.4	Low	106 Å²	106	101.8 Å²	101.8	69%	0.688	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-68.5	143.2	162.6	31.5	-32.4	0	0	0	109	P775	P773-P775 VanDerWaalsContact O-CD 3.29Å; P773-P775 WeakPolarHBondContact O-CD 3.12Å; P773-P775 VanDerWaalsContact O-N 3.12Å
774	V	48.2	Very low	54.5	Low	125 Å²	125	96.2 Å²	96.2	76%	0.758	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-60.2	117.8	169.7	179.1	0	0	0	0	107.6	S776	V774-S776 PolarHBondContact O-N 3Å
775	P	52.9	Low	57.2	Low	94 Å²	94	96.7 Å²	96.7	61%	0.61	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-65	131.4	178.7	26.9	-33.4	0	0	0	108.8	P773 N777	P773-P775 VanDerWaalsContact O-CD 3.29Å; P773-P775 WeakPolarHBondContact O-CD 3.12Å; P773-P775 VanDerWaalsContact O-N 3.12Å; P775-N777 PolarHBondContact O-N 2.99Å; P775-N777 PolarHBondContact O-ND2 3.45Å
776	S	56.3	Low	59.5	Low	39 Å²	39	91.3 Å²	91.3	27%	0.273	51%	0.508	S	S	.	.			trans	-64.2	108.3	174.8	52	0	0	0	0	109.2	V774 M778	V774-S776 PolarHBondContact O-N 3Å; S776-M778 PolarHBondContact O-N 3.26Å
777	N	61.1	Low	62.3	Low	122 Å²	122	86.4 Å²	86.4	65%	0.652	48%	0.477	S	S	*	.			trans	-74.7	25.5	174.4	-65	-67.1	0	0	0	112.4	P775	P775-N777 PolarHBondContact O-N 2.99Å; P775-N777 PolarHBondContact O-ND2 3.45Å
778	M	70.9	Confident	64.7	Low	14 Å²	14	84.8 Å²	84.8	7%	0.069	47%	0.466	C	S	.	.			trans	-83.8	119.3	175.3	-178.1	177.5	73.7	0	0	108.2	S776 T782 I786 V1061 I1064	S776-M778 PolarHBondContact O-N 3.26Å; M778-T782 HydrophobicContact CG-CG2 4.48Å; M778-I786 HydrophobicContact SD-CD1 4.47Å; M778-V1061 HydrophobicContact CE-CG1 4.29Å; M778-I1064 HydrophobicContact CE-CB 4.35Å; M778-I1064 HydrophobicContact CE-CG2 3.77Å
779	D	78.6	Confident	67.3	Low	66 Å²	66	83.3 Å²	83.3	35%	0.353	45%	0.446	S	S	.	.			trans	-70.1	149.8	172	64	-80.6	0	0	0	111.2	S781 T782 G783	D779-S781 PolarHBondContact O-N 2.86Å; D779-S781 WeakPolarHBondContact OD2-CB 3.41Å; D779-S781 PolarHBondContact OD2-N 3.12Å; D779-S781 PolarHBondContact OD2-OG 2.88Å; D779-T782 VanDerWaalsContact CG-OG1 3.26Å; D779-T782 PolarHBondContact O-N 3.11Å; D779-T782 VanDerWaalsContact OD1-CB 3.24Å; D779-T782 WeakPolarHBondContact OD1-CB 3.03Å; D779-T782 PolarHBondContact OD1-OG1 3.4Å; D779-T782 PolarHBondContact OD2-N 2.97Å; D779-T782 PolarHBondContact OD2-OG1 3.2Å; D779-T782 VanDerWaalsContact OD2-OG1 3.1Å; D779-G783 PolarHBondContact O-N 3.14Å
780	I	83.3	Confident	69.6	Low	85 Å²	85	74.1 Å²	74.1	44%	0.436	41%	0.411	S	S	.	.	H	α-helix	trans	-56.9	-36.5	-175.9	-66.9	167.4	0	0	0	111.2	G783 H784 L1065 L1068	I780-G783 PolarHBondContact O-N 3.5Å; I780-H784 PolarHBondContact O-CD2 3.08Å; I780-H784 PolarHBondContact O-N 3.07Å; I780-L1065 HydrophobicContact CG2-CD2 4.26Å; I780-L1068 HydrophobicContact CG1-CD1 3.73Å
781	S	83.7	Confident	72	Confident	84 Å²	84	73.8 Å²	73.8	59%	0.587	40%	0.401	S	S	*	.	H	α-helix	trans	-63.1	-52.9	175.5	20.7	0	0	0	0	113.1	D779 G783 H784 M785	D779-S781 PolarHBondContact O-N 2.86Å; D779-S781 WeakPolarHBondContact OD2-CB 3.41Å; D779-S781 PolarHBondContact OD2-N 3.12Å; D779-S781 PolarHBondContact OD2-OG 2.88Å; S781-G783 VanDerWaalsContact C-N 3.3Å; S781-G783 PolarHBondContact O-N 2.84Å; S781-H784 PolarHBondContact O-N 2.76Å; S781-M785 WeakPolarHBondContact O-CB 3.17Å; S781-M785 PolarHBondContact O-N 3.41Å
782	T	82.1	Confident	74.4	Confident	17 Å²	17	69.5 Å²	69.5	10%	0.104	38%	0.384	C	S	.	.	H	α-helix	trans	-60.1	-40.6	175.4	-63.6	0	0	0	0	111	M778 D779 M785 I786	M778-T782 HydrophobicContact CG-CG2 4.48Å; D779-T782 VanDerWaalsContact CG-OG1 3.26Å; D779-T782 PolarHBondContact O-N 3.11Å; D779-T782 VanDerWaalsContact OD1-CB 3.24Å; D779-T782 WeakPolarHBondContact OD1-CB 3.03Å; D779-T782 PolarHBondContact OD1-OG1 3.4Å; D779-T782 PolarHBondContact OD2-N 2.97Å; D779-T782 PolarHBondContact OD2-OG1 3.2Å; D779-T782 VanDerWaalsContact OD2-OG1 3.1Å; T782-M785 PolarHBondContact O-N 3.13Å; T782-I786 HydrophobicContact CG2-CD1 3.72Å; T782-I786 HydrophobicContact CG2-CG1 4.34Å; T782-I786 WeakPolarHBondContact O-CB 3.36Å; T782-I786 VanDerWaalsContact O-CG1 3.29Å; T782-I786 WeakPolarHBondContact O-CG1 3.44Å; T782-I786 PolarHBondContact O-N 2.75Å
783	G	84.8	Confident	76.7	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-60.5	-45.8	175.5	0	0	0	0	0	113.2	D779 I780 S781 I786 L787 V1061	D779-G783 PolarHBondContact O-N 3.14Å; I780-G783 PolarHBondContact O-N 3.5Å; S781-G783 VanDerWaalsContact C-N 3.3Å; S781-G783 PolarHBondContact O-N 2.84Å; G783-I786 PolarHBondContact O-N 3.43Å; G783-L787 WeakPolarHBondContact O-CB 3.5Å; G783-L787 PolarHBondContact O-N 2.92Å; G783-V1061 WeakPolarHBondContact O-CG1 3.34Å
784	H	86.9	Confident	78.7	Confident	107 Å²	107	57.9 Å²	57.9	50%	0.495	32%	0.322	S	S	.	.	H	α-helix	trans	-67.1	-36.3	175.5	-82.5	-66.5	0	0	0	113.1	I780 S781 L787 S788	I780-H784 PolarHBondContact O-CD2 3.08Å; I780-H784 PolarHBondContact O-N 3.07Å; S781-H784 PolarHBondContact O-N 2.76Å; H784-L787 PolarHBondContact O-N 2.85Å; H784-S788 VanDerWaalsContact O-CB 3.31Å; H784-S788 WeakPolarHBondContact O-CB 3.34Å; H784-S788 PolarHBondContact O-N 2.84Å
785	M	86.1	Confident	80.8	Confident	105 Å²	105	58.8 Å²	58.8	52%	0.517	32%	0.315	S	S	.	.	H	α-helix	trans	-62	-48.1	174.5	-176.2	-177.5	74.5	0	0	111.3	S781 T782 S788 Y789 K1025	S781-M785 WeakPolarHBondContact O-CB 3.17Å; S781-M785 PolarHBondContact O-N 3.41Å; T782-M785 PolarHBondContact O-N 3.13Å; M785-S788 PolarHBondContact O-N 2.82Å; M785-Y789 WeakPolarHBondContact O-CB 3.35Å; M785-Y789 PolarHBondContact O-N 3.35Å; M785-K1025 VanDerWaalsContact CE-O 3.32Å; M785-K1025 WeakPolarHBondContact CE-O 3.44Å
786	I	84.1	Confident	82.6	Confident	8 Å²	8	57.4 Å²	57.4	4%	0.041	30%	0.303	C	S	.	.	H	α-helix	trans	-60.2	-47.2	175.3	-73.1	170.5	0	0	0	110.9	M778 T782 G783 S788 Y789 M790 M1020 I1027 V1061	M778-I786 HydrophobicContact SD-CD1 4.47Å; T782-I786 HydrophobicContact CG2-CD1 3.72Å; T782-I786 HydrophobicContact CG2-CG1 4.34Å; T782-I786 WeakPolarHBondContact O-CB 3.36Å; T782-I786 VanDerWaalsContact O-CG1 3.29Å; T782-I786 WeakPolarHBondContact O-CG1 3.44Å; T782-I786 PolarHBondContact O-N 2.75Å; G783-I786 PolarHBondContact O-N 3.43Å; I786-S788 PolarHBondContact O-N 3.23Å; I786-Y789 WeakPolarHBondContact O-CB 3.33Å; I786-Y789 PolarHBondContact O-N 2.97Å; I786-M790 HydrophobicContact CG2-CG 4.32Å; I786-M790 VanDerWaalsContact O-CG 3.24Å; I786-M790 WeakPolarHBondContact O-CG 3.34Å; I786-M790 PolarHBondContact O-N 2.93Å; I786-M1020 HydrophobicContact CD1-CE 4.3Å; I786-M1020 HydrophobicContact CD1-CG 4.27Å; I786-M1020 HydrophobicContact CG2-CE 3.37Å; I786-M1020 HydrophobicContact CG2-SD 4.19Å; I786-I1027 HydrophobicContact CD1-CD1 4.27Å; I786-V1061 HydrophobicContact CG2-CG1 4.31Å; I786-V1061 HydrophobicContact CG2-CG2 4.01Å
787	L	87.9	Confident	84.2	Confident	15 Å²	15	61.6 Å²	61.6	8%	0.079	32%	0.316	C	S	.	.	H	α-helix	trans	-62.2	-43.7	179.6	-177.2	59.3	0	0	0	111.6	G783 H784 Y789 M790 E791 A1058 V1061 N1062 L1065	G783-L787 WeakPolarHBondContact O-CB 3.5Å; G783-L787 PolarHBondContact O-N 2.92Å; H784-L787 PolarHBondContact O-N 2.85Å; L787-Y789 VanDerWaalsContact C-N 3.3Å; L787-Y789 PolarHBondContact O-N 3.42Å; L787-M790 PolarHBondContact O-N 3.48Å; L787-E791 HydrophobicContact CD1-CG 4.35Å; L787-E791 VanDerWaalsContact O-CB 3.31Å; L787-E791 WeakPolarHBondContact O-CB 3.22Å; L787-E791 WeakPolarHBondContact O-CG 3.47Å; L787-E791 PolarHBondContact O-N 3.04Å; L787-A1058 HydrophobicContact CD1-CB 4.11Å; L787-A1058 WeakPolarHBondContact CD1-O 3.45Å; L787-V1061 HydrophobicContact CB-CG1 4.03Å; L787-N1062 HydrophobicContact CD1-CB 4.08Å; L787-N1062 HydrophobicContact CD2-CB 4Å; L787-L1065 HydrophobicContact CB-CD1 4.44Å; L787-L1065 HydrophobicContact CD2-CD1 4.01Å
788	S	87.3	Confident	85.6	Confident	81 Å²	81	61.9 Å²	61.9	57%	0.566	32%	0.317	S	S	*	.	H	α-helix	trans	-61.7	-37	175.7	-171.5	0	0	0	0	112.4	H784 M785 I786 D792	H784-S788 VanDerWaalsContact O-CB 3.31Å; H784-S788 WeakPolarHBondContact O-CB 3.34Å; H784-S788 PolarHBondContact O-N 2.84Å; M785-S788 PolarHBondContact O-N 2.82Å; I786-S788 PolarHBondContact O-N 3.23Å; S788-D792 WeakPolarHBondContact O-CB 3.48Å; S788-D792 PolarHBondContact O-N 2.87Å
789	Y	85.9	Confident	86.5	Confident	65 Å²	65	64.2 Å²	64.2	26%	0.255	33%	0.325	S	S	.	.	H	α-helix	trans	-69.2	-45.8	176.5	174.1	-117.1	0	0	0	112.5	M785 I786 L787 E791 D792 H793 R799 I1027	M785-Y789 WeakPolarHBondContact O-CB 3.35Å; M785-Y789 PolarHBondContact O-N 3.35Å; I786-Y789 WeakPolarHBondContact O-CB 3.33Å; I786-Y789 PolarHBondContact O-N 2.97Å; L787-Y789 VanDerWaalsContact C-N 3.3Å; L787-Y789 PolarHBondContact O-N 3.42Å; Y789-E791 VanDerWaalsContact C-N 3.35Å; Y789-D792 PolarHBondContact O-N 2.87Å; Y789-H793 AromaticContact CD2-CD2 3.94Å; Y789-H793 AromaticContact CD2-NE2 3.75Å; Y789-H793 AromaticContact CE1-NE2 3.47Å; Y789-H793 WeakPolarHBondContact CE1-NE2 3.35Å; Y789-H793 AromaticContact CE2-CD2 3.53Å; Y789-H793 AromaticContact CE2-NE2 2.64Å; Y789-H793 WeakPolarHBondContact CE2-NE2 3.42Å; Y789-H793 AromaticContact CZ-CD2 3.68Å; Y789-H793 AromaticContact CZ-NE2 2.43Å; Y789-H793 PolarHBondContact O-CD2 3.03Å; Y789-H793 PolarHBondContact O-N 3.4Å; Y789-H793 PolarHBondContact OH-NE2 3Å; Y789-R799 PolarHBondContact OH-NH2 3.09Å; Y789-I1027 WeakPolarHBondContact CE1-O 3.24Å
790	M	87.3	Confident	87.1	Confident	1 Å²	1	61.1 Å²	61.1	1%	0.005	31%	0.309	C	S	.	.	H	α-helix	trans	-65.1	-38.4	175.6	-60.4	-82.6	91.2	0	0	111.6	I786 L787 H793 L794 I1029 L1054 V1057 A1058	I786-M790 HydrophobicContact CG2-CG 4.32Å; I786-M790 VanDerWaalsContact O-CG 3.24Å; I786-M790 WeakPolarHBondContact O-CG 3.34Å; I786-M790 PolarHBondContact O-N 2.93Å; L787-M790 PolarHBondContact O-N 3.48Å; M790-H793 WeakPolarHBondContact O-CB 3.4Å; M790-H793 PolarHBondContact O-N 3.32Å; M790-L794 WeakPolarHBondContact O-CG 3.34Å; M790-L794 PolarHBondContact O-N 3.41Å; M790-L794 VanDerWaalsContact O-N 3.12Å; M790-I1029 HydrophobicContact CE-CG2 4.45Å; M790-L1054 HydrophobicContact CE-CD2 3.46Å; M790-L1054 VanDerWaalsContact CE-CD2 3.46Å; M790-L1054 HydrophobicContact SD-CD2 3.69Å; M790-V1057 HydrophobicContact CG-CG1 4.36Å; M790-V1057 HydrophobicContact SD-CB 4.22Å; M790-V1057 HydrophobicContact SD-CG1 3.73Å; M790-A1058 HydrophobicContact CB-CB 3.95Å
791	E	87.7	Confident	87.5	Confident	74 Å²	74	60.6 Å²	60.6	35%	0.346	31%	0.305	S	S	.	.	H	α-helix	trans	-68	-36.1	175	-83.4	-166	-146.8	0	0	113.3	L787 Y789 K795	L787-E791 HydrophobicContact CD1-CG 4.35Å; L787-E791 VanDerWaalsContact O-CB 3.31Å; L787-E791 WeakPolarHBondContact O-CB 3.22Å; L787-E791 WeakPolarHBondContact O-CG 3.47Å; L787-E791 PolarHBondContact O-N 3.04Å; Y789-E791 VanDerWaalsContact C-N 3.35Å; E791-K795 WeakPolarHBondContact O-CB 3.39Å; E791-K795 WeakPolarHBondContact O-CD 3.45Å; E791-K795 WeakPolarHBondContact O-CE 3.3Å; E791-K795 WeakPolarHBondContact O-CG 3.36Å; E791-K795 PolarHBondContact O-N 3.18Å; E791-K795 VanDerWaalsContact O-N 3.13Å; E791-K795 IonicContact OE2-NZ 3.21Å; E791-K795 PolarHBondContact OE2-NZ 3.25Å
792	D	87.6	Confident	87.9	Confident	76 Å²	76	64 Å²	64	41%	0.406	31%	0.305	S	S	.	.	H	α-helix	trans	-65	-45.4	173.3	-179.9	70	0	0	0	111.3	S788 Y789 L794 K795 N796	S788-D792 WeakPolarHBondContact O-CB 3.48Å; S788-D792 PolarHBondContact O-N 2.87Å; Y789-D792 PolarHBondContact O-N 2.87Å; D792-L794 PolarHBondContact O-N 3.49Å; D792-K795 PolarHBondContact O-N 3.04Å; D792-N796 WeakPolarHBondContact O-CB 3.45Å; D792-N796 PolarHBondContact O-N 3.49Å
793	H	83.5	Confident	88.4	Confident	0 Å²	0	65 Å²	65	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-50.2	-53.2	172.4	-98.1	-116.7	0	0	0	112.5	Y789 M790 K795 N796 R799 E803 L1054	Y789-H793 AromaticContact CD2-CD2 3.94Å; Y789-H793 AromaticContact CD2-NE2 3.75Å; Y789-H793 AromaticContact CE1-NE2 3.47Å; Y789-H793 WeakPolarHBondContact CE1-NE2 3.35Å; Y789-H793 AromaticContact CE2-CD2 3.53Å; Y789-H793 AromaticContact CE2-NE2 2.64Å; Y789-H793 WeakPolarHBondContact CE2-NE2 3.42Å; Y789-H793 AromaticContact CZ-CD2 3.68Å; Y789-H793 AromaticContact CZ-NE2 2.43Å; Y789-H793 PolarHBondContact O-CD2 3.03Å; Y789-H793 PolarHBondContact O-N 3.4Å; Y789-H793 PolarHBondContact OH-NE2 3Å; M790-H793 WeakPolarHBondContact O-CB 3.4Å; M790-H793 PolarHBondContact O-N 3.32Å; H793-K795 VanDerWaalsContact C-N 3.3Å; H793-K795 PolarHBondContact O-N 3.04Å; H793-N796 PolarHBondContact O-N 3.25Å; H793-R799 PolarHBondContact NE2-NE 3.34Å; H793-R799 PolarHBondContact NE2-NH1 3.43Å; H793-R799 PolarHBondContact NE2-NH2 3.38Å; H793-E803 IonicContact CE1-OE1 2.71Å; H793-E803 PolarHBondContact CE1-OE1 3.41Å; H793-E803 IonicContact CE1-OE2 2.96Å; H793-E803 PolarHBondContact CE1-OE2 3.15Å; H793-E803 IonicContact ND1-OE2 3.82Å; H793-L1054 HydrophobicContact CB-CD1 4.37Å; H793-L1054 HydrophobicContact CB-CD2 4.05Å
794	L	87	Confident	88.9	Confident	38 Å²	38	66.3 Å²	66.3	20%	0.199	31%	0.313	C	S	.	.	H	α-helix	trans	-68.3	-27.1	-177.8	-68.4	167.9	0	0	0	113.1	M790 D792 E1051 L1054 T1055 A1058	M790-L794 WeakPolarHBondContact O-CG 3.34Å; M790-L794 PolarHBondContact O-N 3.41Å; M790-L794 VanDerWaalsContact O-N 3.12Å; D792-L794 PolarHBondContact O-N 3.49Å; L794-E1051 HydrophobicContact CD2-CG 3.83Å; L794-L1054 HydrophobicContact CD2-CB 3.78Å; L794-L1054 HydrophobicContact CD2-CD1 4.41Å; L794-L1054 HydrophobicContact CG-CB 4.22Å; L794-T1055 WeakPolarHBondContact CD2-OG1 3.49Å; L794-A1058 HydrophobicContact CD1-CB 4.41Å
795	K	90.9	Very high	89.3	Confident	144 Å²	144	66.7 Å²	66.7	63%	0.626	32%	0.315	S	S	*	.	H	α-helix	trans	-79.3	-34.1	174	-69	160.9	-160.9	168.1	0	111.7	E791 D792 H793 K797	E791-K795 WeakPolarHBondContact O-CB 3.39Å; E791-K795 WeakPolarHBondContact O-CD 3.45Å; E791-K795 WeakPolarHBondContact O-CE 3.3Å; E791-K795 WeakPolarHBondContact O-CG 3.36Å; E791-K795 PolarHBondContact O-N 3.18Å; E791-K795 VanDerWaalsContact O-N 3.13Å; E791-K795 IonicContact OE2-NZ 3.21Å; E791-K795 PolarHBondContact OE2-NZ 3.25Å; D792-K795 PolarHBondContact O-N 3.04Å; H793-K795 VanDerWaalsContact C-N 3.3Å; H793-K795 PolarHBondContact O-N 3.04Å; K795-K797 PolarHBondContact O-N 3.37Å
796	N	91.8	Very high	89.7	Confident	64 Å²	64	64 Å²	64	34%	0.342	31%	0.31	S	S	.	.			trans	-92.4	73.3	-173.5	-166.5	-14.9	0	0	0	112.2	D792 H793 N798 R799 L800	D792-N796 WeakPolarHBondContact O-CB 3.45Å; D792-N796 PolarHBondContact O-N 3.49Å; H793-N796 PolarHBondContact O-N 3.25Å; N796-N798 PolarHBondContact O-N 3.38Å; N796-N798 VanDerWaalsContact O-N 3.12Å; N796-R799 HydrophobicContact CB-CB 4.02Å; N796-R799 WeakPolarHBondContact O-CA 3.5Å; N796-R799 VanDerWaalsContact O-CB 3.3Å; N796-R799 WeakPolarHBondContact O-CB 3.25Å; N796-R799 PolarHBondContact O-N 3.3Å; N796-R799 PolarHBondContact OD1-N 3.35Å; N796-L800 PolarHBondContact O-N 2.94Å; N796-L800 VanDerWaalsContact O-N 3.15Å
797	K	89.3	Confident	90.2	Very high	128 Å²	128	63.7 Å²	63.7	56%	0.557	31%	0.308	S	S	*	.	H	α-helix	trans	-53.9	-34.6	-179.8	-62.7	-162.2	173.4	-157.3	0	113.8	K795 R799 L800 E801	K795-K797 PolarHBondContact O-N 3.37Å; K797-R799 PolarHBondContact O-N 3.5Å; K797-L800 PolarHBondContact O-N 2.99Å; K797-E801 WeakPolarHBondContact O-CB 3.49Å; K797-E801 PolarHBondContact O-N 3.41Å
798	N	91.1	Very high	90.5	Very high	127 Å²	127	66.8 Å²	66.8	68%	0.679	33%	0.33	S	S	*	.	H	α-helix	trans	-71.9	-14.6	177.8	-63.3	2.3	0	0	0	113.5	N796 R802	N796-N798 PolarHBondContact O-N 3.38Å; N796-N798 VanDerWaalsContact O-N 3.12Å; N798-R802 PolarHBondContact O-NE 3.03Å; N798-R802 PolarHBondContact O-NH2 2.99Å
799	R	89.6	Confident	90.8	Very high	63 Å²	63	67.6 Å²	67.6	24%	0.238	34%	0.335	C	S	.	.	H	α-helix	trans	-84.7	-52.1	167.8	178.4	-178.1	178.6	156.3	8.5	110	Y789 H793 N796 K797 E801 R802 E803	Y789-R799 PolarHBondContact OH-NH2 3.09Å; H793-R799 PolarHBondContact NE2-NE 3.34Å; H793-R799 PolarHBondContact NE2-NH1 3.43Å; H793-R799 PolarHBondContact NE2-NH2 3.38Å; N796-R799 HydrophobicContact CB-CB 4.02Å; N796-R799 WeakPolarHBondContact O-CA 3.5Å; N796-R799 VanDerWaalsContact O-CB 3.3Å; N796-R799 WeakPolarHBondContact O-CB 3.25Å; N796-R799 PolarHBondContact O-N 3.3Å; N796-R799 PolarHBondContact OD1-N 3.35Å; K797-R799 PolarHBondContact O-N 3.5Å; R799-E801 VanDerWaalsContact C-N 3.26Å; R799-E801 PolarHBondContact O-N 2.95Å; R799-R802 PolarHBondContact O-N 3.49Å; R799-R802 VanDerWaalsContact O-N 3.13Å; R799-E803 HydrophobicContact CG-CG 4.45Å; R799-E803 WeakPolarHBondContact CG-OE1 3.47Å; R799-E803 IonicContact CZ-OE1 2.7Å; R799-E803 VanDerWaalsContact CZ-OE1 3.3Å; R799-E803 IonicContact NE-OE1 3.15Å; R799-E803 PolarHBondContact NE-OE1 3.45Å; R799-E803 IonicContact NH2-OE1 2.59Å; R799-E803 PolarHBondContact NH2-OE1 2.92Å; R799-E803 PolarHBondContact O-N 3.21Å
800	L	90.2	Very high	91.2	Very high	2 Å²	2	67.4 Å²	67.4	1%	0.01	34%	0.335	C	S	.	.	H	α-helix	trans	-55.9	-39.1	179.8	-175.6	64	0	0	0	112.6	N796 K797 W804 F1050 E1051 L1054	N796-L800 PolarHBondContact O-N 2.94Å; N796-L800 VanDerWaalsContact O-N 3.15Å; K797-L800 PolarHBondContact O-N 2.99Å; L800-W804 WeakPolarHBondContact O-CB 3.23Å; L800-W804 PolarHBondContact O-N 3.5Å; L800-F1050 HydrophobicContact CD1-CD1 3.7Å; L800-F1050 HydrophobicContact CD1-CE1 3.77Å; L800-E1051 HydrophobicContact CD2-CB 4.06Å; L800-E1051 HydrophobicContact CD2-CG 3.8Å; L800-L1054 HydrophobicContact CD1-CD1 3.55Å
801	E	91.9	Very high	91.4	Very high	74 Å²	74	73.8 Å²	73.8	35%	0.346	37%	0.365	S	S	.	.	H	α-helix	trans	-59.5	-52.9	174.8	-158.8	75.2	-91.7	0	0	111.8	K797 R799 E803 W804 E805 K1047	K797-E801 WeakPolarHBondContact O-CB 3.49Å; K797-E801 PolarHBondContact O-N 3.41Å; R799-E801 VanDerWaalsContact C-N 3.26Å; R799-E801 PolarHBondContact O-N 2.95Å; E801-E803 PolarHBondContact O-N 3.49Å; E801-W804 CarbonylContact O-C 3.26Å; E801-W804 WeakPolarHBondContact O-CA 3.2Å; E801-W804 WeakPolarHBondContact O-CB 3.17Å; E801-W804 PolarHBondContact O-N 2.92Å; E801-W804 VanDerWaalsContact O-N 3.11Å; E801-E805 WeakPolarHBondContact O-CG 3.49Å; E801-E805 PolarHBondContact O-N 3.37Å; E801-K1047 WeakPolarHBondContact OE1-CD 3.43Å; E801-K1047 VanDerWaalsContact OE1-CE 3.26Å; E801-K1047 WeakPolarHBondContact OE1-CE 3.48Å; E801-K1047 IonicContact OE1-NZ 3.95Å; E801-K1047 PolarHBondContact OE1-NZ 3.27Å; E801-K1047 IonicContact OE2-NZ 3.2Å; E801-K1047 PolarHBondContact OE2-NZ 2.9Å
802	R	92.6	Very high	91.7	Very high	156 Å²	156	70.4 Å²	70.4	59%	0.589	35%	0.349	S	S	*	.	H	α-helix	trans	-69.4	-32.7	-176.6	-71.1	179.1	-65.5	125	7.1	113.2	N798 R799 A806	N798-R802 PolarHBondContact O-NE 3.03Å; N798-R802 PolarHBondContact O-NH2 2.99Å; R799-R802 PolarHBondContact O-N 3.49Å; R799-R802 VanDerWaalsContact O-N 3.13Å; R802-A806 WeakPolarHBondContact O-CB 3.48Å; R802-A806 PolarHBondContact O-N 3.45Å
803	E	92.6	Very high	91.9	Very high	37 Å²	37	74 Å²	74	17%	0.173	36%	0.363	C	S	.	.	H	α-helix	trans	-67.1	-39.1	171.3	-70.5	179.2	-177.7	0	0	110.5	H793 R799 E801 L807	H793-E803 IonicContact CE1-OE1 2.71Å; H793-E803 PolarHBondContact CE1-OE1 3.41Å; H793-E803 IonicContact CE1-OE2 2.96Å; H793-E803 PolarHBondContact CE1-OE2 3.15Å; H793-E803 IonicContact ND1-OE2 3.82Å; R799-E803 HydrophobicContact CG-CG 4.45Å; R799-E803 WeakPolarHBondContact CG-OE1 3.47Å; R799-E803 IonicContact CZ-OE1 2.7Å; R799-E803 VanDerWaalsContact CZ-OE1 3.3Å; R799-E803 IonicContact NE-OE1 3.15Å; R799-E803 PolarHBondContact NE-OE1 3.45Å; R799-E803 IonicContact NH2-OE1 2.59Å; R799-E803 PolarHBondContact NH2-OE1 2.92Å; R799-E803 PolarHBondContact O-N 3.21Å; E801-E803 PolarHBondContact O-N 3.49Å; E803-L807 WeakPolarHBondContact O-CB 3.29Å; E803-L807 WeakPolarHBondContact O-CD1 3.24Å; E803-L807 VanDerWaalsContact O-CG 3.25Å; E803-L807 WeakPolarHBondContact O-CG 3.4Å; E803-L807 PolarHBondContact O-N 3.33Å
804	W	95	Very high	92.4	Very high	28 Å²	28	77.2 Å²	77.2	11%	0.106	38%	0.384	C	S	.	.	H	α-helix	trans	-69.7	-39.3	173.6	-176.5	-106.4	0	0	0	113.5	L800 E801 L807 C808 V1044 T1046 K1047 F1050	L800-W804 WeakPolarHBondContact O-CB 3.23Å; L800-W804 PolarHBondContact O-N 3.5Å; E801-W804 CarbonylContact O-C 3.26Å; E801-W804 WeakPolarHBondContact O-CA 3.2Å; E801-W804 WeakPolarHBondContact O-CB 3.17Å; E801-W804 PolarHBondContact O-N 2.92Å; E801-W804 VanDerWaalsContact O-N 3.11Å; W804-L807 HydrophobicContact CE3-CD1 4.26Å; W804-L807 PolarHBondContact O-N 2.78Å; W804-C808 VanDerWaalsContact CE2-SG 3.52Å; W804-C808 PolarHBondContact NE1-SG 2.85Å; W804-C808 VanDerWaalsContact NE1-SG 3.36Å; W804-C808 WeakPolarHBondContact O-CB 3.18Å; W804-C808 PolarHBondContact O-N 3.06Å; W804-C808 PolarHBondContact O-SG 3.34Å; W804-V1044 HydrophobicContact CZ3-CG1 4.26Å; W804-T1046 WeakPolarHBondContact CH2-O 3.06Å; W804-K1047 HydrophobicContact CB-CG 4.28Å; W804-K1047 HydrophobicContact CD2-CB 3.97Å; W804-K1047 HydrophobicContact CD2-CG 4.29Å; W804-K1047 HydrophobicContact CG-CB 3.95Å; W804-K1047 HydrophobicContact CG-CD 4.38Å; W804-K1047 HydrophobicContact CG-CG 3.9Å; W804-F1050 HydrophobicContact CE3-CB 3.94Å; W804-F1050 HydrophobicContact CE3-CD1 4.19Å; W804-F1050 HydrophobicContact CE3-CG 4.16Å; W804-F1050 HydrophobicContact CZ3-CB 3.96Å; W804-F1050 HydrophobicContact CZ3-CG 4.42Å
805	E	95.4	Very high	92.7	Very high	114 Å²	114	76.9 Å²	76.9	53%	0.533	39%	0.385	S	S	.	.	H	α-helix	trans	-60.1	-46.7	172.9	-73.4	170.7	160.8	0	0	111.3	E801 C808 S809	E801-E805 WeakPolarHBondContact O-CG 3.49Å; E801-E805 PolarHBondContact O-N 3.37Å; E805-C808 WeakPolarHBondContact O-CB 3.35Å; E805-C808 PolarHBondContact O-N 3.22Å; E805-S809 PolarHBondContact O-N 2.87Å
806	A	95.1	Very high	92.9	Very high	49 Å²	49	72.7 Å²	72.7	41%	0.405	38%	0.377	S	S	.	.	H	α-helix	trans	-59.8	-47.8	175.2	0	0	0	0	0	111.1	R802 C808 S809 Y810	R802-A806 WeakPolarHBondContact O-CB 3.48Å; R802-A806 PolarHBondContact O-N 3.45Å; A806-C808 VanDerWaalsContact C-N 3.32Å; A806-C808 PolarHBondContact O-N 3.44Å; A806-S809 CarbonylContact O-C 3.57Å; A806-S809 PolarHBondContact O-N 3.45Å; A806-S809 PolarHBondContact O-OG 3.29Å; A806-Y810 PolarHBondContact O-N 2.87Å; A806-Y810 VanDerWaalsContact O-N 3.08Å
807	L	95.1	Very high	93.1	Very high	2 Å²	2	70.3 Å²	70.3	1%	0.01	37%	0.366	C	S	.	.	H	α-helix	trans	-58.4	-40.1	173.8	-76.1	163.7	0	0	0	112.1	E803 W804 S809 Y810 A1030 L1033 E1034 R1037 F1050	E803-L807 WeakPolarHBondContact O-CB 3.29Å; E803-L807 WeakPolarHBondContact O-CD1 3.24Å; E803-L807 VanDerWaalsContact O-CG 3.25Å; E803-L807 WeakPolarHBondContact O-CG 3.4Å; E803-L807 PolarHBondContact O-N 3.33Å; W804-L807 HydrophobicContact CE3-CD1 4.26Å; W804-L807 PolarHBondContact O-N 2.78Å; L807-S809 VanDerWaalsContact C-N 3.26Å; L807-S809 PolarHBondContact O-N 3.46Å; L807-Y810 VanDerWaalsContact O-CB 3.26Å; L807-Y810 WeakPolarHBondContact O-CB 3.45Å; L807-Y810 PolarHBondContact O-N 3.27Å; L807-Y810 VanDerWaalsContact O-N 3.13Å; L807-A1030 HydrophobicContact CD1-CB 4.35Å; L807-L1033 HydrophobicContact CD1-CD2 3.94Å; L807-L1033 HydrophobicContact CD2-CB 4.29Å; L807-L1033 HydrophobicContact CD2-CD2 4.19Å; L807-L1033 HydrophobicContact CD2-CG 4.15Å; L807-E1034 HydrophobicContact CD2-CG 3.83Å; L807-R1037 VanDerWaalsContact C-NH1 3.3Å; L807-R1037 PolarHBondContact O-NH1 2.99Å; L807-F1050 HydrophobicContact CD1-CE1 4.05Å; L807-F1050 HydrophobicContact CD1-CE2 4.06Å; L807-F1050 HydrophobicContact CD1-CZ 3.82Å
808	C	93.5	Very high	93.4	Very high	79 Å²	79	68 Å²	68	53%	0.534	37%	0.366	S	S	.	.	H	α-helix	trans	-65	-28.3	175.5	-76	0	0	0	0	113.3	W804 E805 A806	W804-C808 VanDerWaalsContact CE2-SG 3.52Å; W804-C808 PolarHBondContact NE1-SG 2.85Å; W804-C808 VanDerWaalsContact NE1-SG 3.36Å; W804-C808 WeakPolarHBondContact O-CB 3.18Å; W804-C808 PolarHBondContact O-N 3.06Å; W804-C808 PolarHBondContact O-SG 3.34Å; E805-C808 WeakPolarHBondContact O-CB 3.35Å; E805-C808 PolarHBondContact O-N 3.22Å; A806-C808 VanDerWaalsContact C-N 3.32Å; A806-C808 PolarHBondContact O-N 3.44Å
809	S	93.2	Very high	93.5	Very high	98 Å²	98	64.1 Å²	64.1	69%	0.685	35%	0.347	S	S	*	.	H	α-helix	trans	-84.8	-8.6	172.8	72.3	0	0	0	0	114.5	E805 A806 L807	E805-S809 PolarHBondContact O-N 2.87Å; A806-S809 CarbonylContact O-C 3.57Å; A806-S809 PolarHBondContact O-N 3.45Å; A806-S809 PolarHBondContact O-OG 3.29Å; L807-S809 VanDerWaalsContact C-N 3.26Å; L807-S809 PolarHBondContact O-N 3.46Å
810	Y	94.9	Very high	93.7	Very high	61 Å²	61	61.1 Å²	61.1	24%	0.239	34%	0.335	C	S	.	.			trans	-73	127.6	-176	-179.8	-85	0	0	0	112	A806 L807 E1034 R1037 D1038	A806-Y810 PolarHBondContact O-N 2.87Å; A806-Y810 VanDerWaalsContact O-N 3.08Å; L807-Y810 VanDerWaalsContact O-CB 3.26Å; L807-Y810 WeakPolarHBondContact O-CB 3.45Å; L807-Y810 PolarHBondContact O-N 3.27Å; L807-Y810 VanDerWaalsContact O-N 3.13Å; Y810-E1034 HydrophobicContact CD2-CB 4.22Å; Y810-E1034 HydrophobicContact CD2-CG 3.66Å; Y810-E1034 HydrophobicContact CE1-CB 4.37Å; Y810-E1034 HydrophobicContact CE2-CB 3.62Å; Y810-E1034 HydrophobicContact CE2-CG 3.57Å; Y810-E1034 HydrophobicContact CG-CG 4.26Å; Y810-E1034 PolarHBondContact OH-O 2.84Å; Y810-R1037 HydrophobicContact CD1-CB 4.01Å; Y810-R1037 HydrophobicContact CE1-CB 3.78Å; Y810-D1038 PolarHBondContact OH-OD1 3.45Å; Y810-D1038 VanDerWaalsContact OH-OD1 3.09Å; Y810-D1038 PolarHBondContact OH-OD2 3.1Å; Y810-D1038 VanDerWaalsContact OH-OD2 3.06Å
811	Q	91.8	Very high	93.9	Very high	136 Å²	136	67 Å²	67	64%	0.636	36%	0.363	S	S	*	.			trans	-124.4	128.8	173.7	-179.8	170.3	-3.3	0	0	109.7	S815	Q811-S815 WeakPolarHBondContact CG-OG 3.41Å; Q811-S815 PolarHBondContact NE2-OG 3.46Å
812	A	93.3	Very high	93.9	Very high	2 Å²	2	65 Å²	65	2%	0.017	36%	0.361	C	S	.	.			trans	-67	148.6	175.3	0	0	0	0	0	111.8	P814 S815 Y837	A812-P814 CarbonylContact O-C 3.57Å; A812-S815 WeakPolarHBondContact O-CB 3.44Å; A812-S815 PolarHBondContact O-N 3.35Å; A812-S815 PolarHBondContact O-OG 3.47Å; A812-Y837 HydrophobicContact CB-CE2 4.25Å
813	E	92.4	Very high	93.8	Very high	151 Å²	151	65.9 Å²	65.9	71%	0.706	37%	0.372	S	S	*	.	S	Bend	trans	-129.7	110.2	174.3	-81.4	-61.9	164.2	0	0	111.4
814	P	94.3	Very high	93.6	Very high	68 Å²	68	72.1 Å²	72.1	44%	0.442	40%	0.402	S	S	.	.	S	Bend	cis	-77.6	151.6	3	32.1	-35.2	0	0	0	113.7	A812 H839	A812-P814 CarbonylContact O-C 3.57Å; P814-H839 HydrophobicContact CG-CB 4.36Å; P814-H839 PolarHBondContact O-CE1 3.37Å
815	S	92.9	Very high	93.6	Very high	32 Å²	32	71.5 Å²	71.5	22%	0.224	40%	0.4	C	S	.	.			trans	-118.5	22	174.6	37.3	0	0	0	0	114.5	Q811 A812	Q811-S815 WeakPolarHBondContact CG-OG 3.41Å; Q811-S815 PolarHBondContact NE2-OG 3.46Å; A812-S815 WeakPolarHBondContact O-CB 3.44Å; A812-S815 PolarHBondContact O-N 3.35Å; A812-S815 PolarHBondContact O-OG 3.47Å
816	A	95.9	Very high	93.4	Very high	55 Å²	55	67.8 Å²	67.8	46%	0.455	39%	0.387	S	S	.	.			trans	-70.9	133.1	179.3	0	0	0	0	0	112.6	Y837 D838	A816-Y837 CarbonylContact O-C 3.5Å; A816-Y837 VanDerWaalsContact O-CA 3.22Å; A816-Y837 WeakPolarHBondContact O-CA 3.32Å; A816-D838 PolarHBondContact O-N 2.91Å
817	C	95.3	Very high	93.4	Very high	15 Å²	15	73.7 Å²	73.7	10%	0.101	40%	0.404	C	S	.	.			trans	-122.7	27.1	178.3	-59.2	0	0	0	0	112.6	V819 G820 Q821 V835 V836 Y837	C817-V819 VanDerWaalsContact C-N 3.34Å; C817-V819 PolarHBondContact O-N 3.31Å; C817-G820 PolarHBondContact O-N 2.78Å; C817-G820 VanDerWaalsContact O-N 3.14Å; C817-Q821 HydrophobicContact CB-CG 4.21Å; C817-Q821 WeakPolarHBondContact O-CG 3.24Å; C817-Q821 PolarHBondContact O-N 3.48Å; C817-V835 HydrophobicContact CB-CB 4.1Å; C817-V835 HydrophobicContact CB-CG1 3.93Å; C817-V836 WeakPolarHBondContact CB-O 3.42Å; C817-V836 PolarHBondContact SG-O 2.93Å; C817-Y837 WeakPolarHBondContact SG-CD1 3.31Å
818	S	94.9	Very high	93.4	Very high	79 Å²	79	75.5 Å²	75.5	55%	0.552	41%	0.41	S	S	*	.	H	α-helix	trans	-61.8	-35.9	-165.9	66.8	0	0	0	0	113.9	G820 G822 D838	S818-G820 VanDerWaalsContact C-N 3.35Å; S818-G822 PolarHBondContact O-N 3.3Å; S818-G822 VanDerWaalsContact O-N 3.13Å; S818-D838 WeakPolarHBondContact CB-OD2 3.22Å; S818-D838 VanDerWaalsContact N-CG 3.32Å; S818-D838 PolarHBondContact N-OD1 2.86Å; S818-D838 VanDerWaalsContact N-OD1 3.12Å; S818-D838 PolarHBondContact N-OD2 3.32Å; S818-D838 PolarHBondContact OG-OD2 2.92Å
819	V	94.6	Very high	93.5	Very high	46 Å²	46	72.4 Å²	72.4	28%	0.279	39%	0.388	S	S	.	.	H	α-helix	trans	-69.4	-35.5	178.9	-179.3	0	0	0	0	111	C817 N825 D838 Y855	C817-V819 VanDerWaalsContact C-N 3.34Å; C817-V819 PolarHBondContact O-N 3.31Å; V819-N825 WeakPolarHBondContact O-CB 3.39Å; V819-N825 PolarHBondContact O-ND2 2.99Å; V819-D838 WeakPolarHBondContact CB-OD1 3.45Å; V819-D838 WeakPolarHBondContact CG2-OD1 3.35Å; V819-D838 PolarHBondContact N-OD1 3.1Å; V819-Y855 HydrophobicContact CG1-CD2 4.08Å
820	G	92.9	Very high	93.5	Very high	0 Å²	0	70.4 Å²	70.4	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-83.7	-26.6	179.3	0	0	0	0	0	114.6	C817 S818 N829 Y855	C817-G820 PolarHBondContact O-N 2.78Å; C817-G820 VanDerWaalsContact O-N 3.14Å; S818-G820 VanDerWaalsContact C-N 3.35Å; G820-N829 PolarHBondContact O-ND2 3.44Å; G820-Y855 VanDerWaalsContact CA-CZ 3.46Å; G820-Y855 VanDerWaalsContact CA-OH 3.29Å; G820-Y855 WeakPolarHBondContact CA-OH 3.46Å
821	Q	94.4	Very high	93.3	Very high	125 Å²	125	69.1 Å²	69.1	58%	0.584	37%	0.368	S	S	*	.	H	α-helix	trans	-83.1	-18.8	175.8	-71.5	175.4	-25.2	0	0	113.3	C817 V835	C817-Q821 HydrophobicContact CB-CG 4.21Å; C817-Q821 WeakPolarHBondContact O-CG 3.24Å; C817-Q821 PolarHBondContact O-N 3.48Å; Q821-V835 HydrophobicContact CG-CG1 4.32Å; Q821-V835 HydrophobicContact CG-CG2 4.26Å
822	G	92.3	Very high	93.1	Very high	31 Å²	31	68.6 Å²	68.6	32%	0.32	37%	0.369	S	S	.	.	S	Bend	trans	-59.4	148.7	178.8	0	0	0	0	0	114.2	S818 Q824 N825 S826	S818-G822 PolarHBondContact O-N 3.3Å; S818-G822 VanDerWaalsContact O-N 3.13Å; G822-Q824 PolarHBondContact O-N 2.94Å; G822-N825 PolarHBondContact O-N 2.72Å; G822-S826 PolarHBondContact O-N 3.15Å
823	E	89.4	Confident	92.9	Very high	176 Å²	176	72.9 Å²	72.9	82%	0.822	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-25.9	-171	-58.7	-176.9	167.2	0	0	115.4
824	Q	88.9	Confident	92.8	Very high	168 Å²	168	66 Å²	66	79%	0.785	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-30.7	176.5	-61.1	-71.8	-9.5	0	0	112.6	G822	G822-Q824 PolarHBondContact O-N 2.94Å
825	N	94.3	Very high	92.9	Very high	15 Å²	15	63 Å²	63	8%	0.08	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.4	-19.5	-166.5	-71.7	-24.7	0	0	0	113.8	V819 G822 K827 R828 Y855	V819-N825 WeakPolarHBondContact O-CB 3.39Å; V819-N825 PolarHBondContact O-ND2 2.99Å; G822-N825 PolarHBondContact O-N 2.72Å; N825-K827 PolarHBondContact O-N 3.28Å; N825-R828 WeakPolarHBondContact O-CA 3.49Å; N825-R828 WeakPolarHBondContact O-CB 3.39Å; N825-R828 PolarHBondContact O-N 3.31Å; N825-Y855 HydrophobicContact CB-CD1 3.79Å; N825-Y855 HydrophobicContact CB-CD2 4.37Å; N825-Y855 HydrophobicContact CB-CE1 3.99Å; N825-Y855 HydrophobicContact CB-CG 3.98Å
826	S	93.1	Very high	93.1	Very high	36 Å²	36	61.5 Å²	61.5	25%	0.252	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-51.6	-42.3	176.4	59	0	0	0	0	112.5	G822 R828 N829	G822-S826 PolarHBondContact O-N 3.15Å; S826-R828 PolarHBondContact O-N 3.37Å; S826-R828 VanDerWaalsContact O-N 3.1Å; S826-N829 WeakPolarHBondContact O-CB 3.16Å; S826-N829 PolarHBondContact O-N 3.22Å
827	K	93.8	Very high	93.2	Very high	173 Å²	173	59.8 Å²	59.8	75%	0.752	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-67.4	-5.6	175.9	-63.5	171.1	-175.6	164	0	115.1	N825	N825-K827 PolarHBondContact O-N 3.28Å
828	R	94.8	Very high	93.2	Very high	39 Å²	39	61 Å²	61	15%	0.147	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-99	-6.5	170.8	-57.1	-177.5	-168.9	-124	8.6	112.2	N825 S826 S851 S853 Y855 Q875 L878 T881 D884	N825-R828 WeakPolarHBondContact O-CA 3.49Å; N825-R828 WeakPolarHBondContact O-CB 3.39Å; N825-R828 PolarHBondContact O-N 3.31Å; S826-R828 PolarHBondContact O-N 3.37Å; S826-R828 VanDerWaalsContact O-N 3.1Å; R828-S851 PolarHBondContact NH1-OG 3.25Å; R828-S851 VanDerWaalsContact NH1-OG 3.08Å; R828-S851 PolarHBondContact NH2-OG 2.94Å; R828-S853 VanDerWaalsContact NH2-CB 3.31Å; R828-Y855 HydrophobicContact CB-CD1 4.13Å; R828-Y855 HydrophobicContact CB-CE1 4.11Å; R828-Q875 PolarHBondContact O-NE2 3.43Å; R828-L878 WeakPolarHBondContact O-CD1 3.39Å; R828-T881 HydrophobicContact CB-CG2 3.95Å; R828-T881 HydrophobicContact CG-CG2 4.23Å; R828-D884 IonicContact CZ-OD2 2.66Å; R828-D884 IonicContact NH1-OD1 2.74Å; R828-D884 IonicContact NH1-OD2 2.71Å; R828-D884 PolarHBondContact NH1-OD2 2.88Å
829	N	95.9	Very high	93.3	Very high	14 Å²	14	61.9 Å²	61.9	8%	0.075	33%	0.326	C	S	.	.			trans	-86.8	142.1	172	-58.1	-36.9	0	0	0	110.3	G820 S826 Y855 N857	G820-N829 PolarHBondContact O-ND2 3.44Å; S826-N829 WeakPolarHBondContact O-CB 3.16Å; S826-N829 PolarHBondContact O-N 3.22Å; N829-Y855 PolarHBondContact OD1-OH 2.91Å; N829-N857 PolarHBondContact OD1-ND2 2.96Å
830	R	94.4	Very high	93.3	Very high	57 Å²	57	60 Å²	60	22%	0.215	32%	0.315	C	S	.	.	S	Bend	trans	-83.5	-27.5	172.9	175.7	171.4	-75.8	-82.2	8	112.8	G876 P877 L878 K909 Q910 S1001	R830-G876 PolarHBondContact NE-O 3.42Å; R830-G876 PolarHBondContact NH2-O 2.95Å; R830-P877 PolarHBondContact NH2-O 2.74Å; R830-L878 HydrophobicContact CB-CD2 4.13Å; R830-L878 HydrophobicContact CG-CD2 4.41Å; R830-K909 PolarHBondContact NH1-O 3Å; R830-Q910 WeakPolarHBondContact CD-O 3.47Å; R830-Q910 PolarHBondContact NE-O 3.46Å; R830-Q910 PolarHBondContact NH1-O 3.03Å; R830-S1001 VanDerWaalsContact CD-O 3.31Å; R830-S1001 WeakPolarHBondContact CD-O 3.28Å
831	A	89.2	Confident	93.4	Very high	34 Å²	34	62.3 Å²	62.3	28%	0.281	32%	0.323	S	S	.	.			trans	-147.2	125.8	177.6	0	0	0	0	0	109.9	A833 V834	A831-A833 PolarHBondContact O-N 3.27Å; A831-V834 PolarHBondContact O-N 3.29Å; A831-V834 VanDerWaalsContact O-N 3.1Å
832	D	88.4	Confident	93.5	Very high	124 Å²	124	57.8 Å²	57.8	66%	0.663	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-16.7	-178.3	-55.9	-63	0	0	0	113.5	V834 V835	D832-V834 VanDerWaalsContact C-N 3.35Å; D832-V835 WeakPolarHBondContact O-CG2 3.36Å
833	A	88	Confident	93.7	Very high	93 Å²	93	60.6 Å²	60.6	77%	0.769	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-14.4	174	0	0	0	0	0	114.1	A831	A831-A833 PolarHBondContact O-N 3.27Å
834	V	92.2	Very high	94	Very high	7 Å²	7	52.5 Å²	52.5	4%	0.042	28%	0.276	C	S	.	.	S	Bend	trans	-131.1	82.4	-178	-176	0	0	0	0	109.5	A831 D832 N857 D1002 A1004	A831-V834 PolarHBondContact O-N 3.29Å; A831-V834 VanDerWaalsContact O-N 3.1Å; D832-V834 VanDerWaalsContact C-N 3.35Å; V834-N857 PolarHBondContact O-ND2 2.89Å; V834-D1002 HydrophobicContact CB-CB 4.03Å; V834-D1002 HydrophobicContact CG1-CB 4.18Å; V834-D1002 HydrophobicContact CG2-CB 3.91Å; V834-A1004 HydrophobicContact CG1-CB 3.59Å; V834-A1004 HydrophobicContact CG2-CB 4.22Å
835	V	95.3	Very high	94.2	Very high	5 Å²	5	50.3 Å²	50.3	3%	0.03	26%	0.264	C	S	.	.			trans	-107.1	148.6	176.5	-171.6	0	0	0	0	109.2	C817 Q821 D832	C817-V835 HydrophobicContact CB-CB 4.1Å; C817-V835 HydrophobicContact CB-CG1 3.93Å; Q821-V835 HydrophobicContact CG-CG1 4.32Å; Q821-V835 HydrophobicContact CG-CG2 4.26Å; D832-V835 WeakPolarHBondContact O-CG2 3.36Å
836	V	96.5	Very high	93.8	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.276	C	S	.	.			trans	-64.9	144	172.3	-67.3	0	0	0	0	111.3	C817 R841 Y855 A858 R1040	C817-V836 WeakPolarHBondContact CB-O 3.42Å; C817-V836 PolarHBondContact SG-O 2.93Å; V836-R841 HydrophobicContact CB-CB 3.83Å; V836-R841 HydrophobicContact CG1-CB 4.4Å; V836-R841 HydrophobicContact CG2-CB 3.65Å; V836-Y855 HydrophobicContact CG2-CE2 3.53Å; V836-A858 VanDerWaalsContact CG1-N 3.3Å; V836-A858 WeakPolarHBondContact CG1-O 3.33Å; V836-R1040 VanDerWaalsContact CG1-NH1 3.35Å
837	Y	97.6	Very high	93.3	Very high	18 Å²	18	57.8 Å²	57.8	7%	0.071	30%	0.3	C	S	.	.			trans	-73.3	151.9	166.2	-54.8	-62.6	0	0	0	111.2	A812 A816 C817 H839 S840 R841 R1037 A1041	A812-Y837 HydrophobicContact CB-CE2 4.25Å; A816-Y837 CarbonylContact O-C 3.5Å; A816-Y837 VanDerWaalsContact O-CA 3.22Å; A816-Y837 WeakPolarHBondContact O-CA 3.32Å; C817-Y837 WeakPolarHBondContact SG-CD1 3.31Å; Y837-H839 VanDerWaalsContact C-N 3.29Å; Y837-H839 WeakPolarHBondContact CB-CE1 3.38Å; Y837-H839 VanDerWaalsContact CB-ND1 3.29Å; Y837-H839 WeakPolarHBondContact CB-ND1 3.47Å; Y837-H839 AromaticContact CD2-CE1 3.63Å; Y837-H839 AromaticContact CG-CE1 3.57Å; Y837-H839 PolarHBondContact O-N 2.86Å; Y837-S840 CarbonylContact O-C 3.48Å; Y837-S840 PolarHBondContact O-N 3.43Å; Y837-R841 WeakPolarHBondContact O-CB 3.35Å; Y837-R841 PolarHBondContact O-N 3.08Å; Y837-R1037 VanDerWaalsContact CE2-O 3.27Å; Y837-R1037 WeakPolarHBondContact CE2-O 3.29Å; Y837-R1037 PolarHBondContact OH-O 3.07Å; Y837-A1041 HydrophobicContact CE1-CB 4Å; Y837-A1041 HydrophobicContact CE2-CB 4.29Å; Y837-A1041 VanDerWaalsContact CE2-N 3.34Å; Y837-A1041 WeakPolarHBondContact OH-CA 3.3Å
838	D	96.8	Very high	92.7	Very high	41 Å²	41	51.6 Å²	51.6	22%	0.219	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-28.2	-177.1	-63.3	-35.3	0	0	0	112.6	A816 S818 V819	A816-D838 PolarHBondContact O-N 2.91Å; S818-D838 WeakPolarHBondContact CB-OD2 3.22Å; S818-D838 VanDerWaalsContact N-CG 3.32Å; S818-D838 PolarHBondContact N-OD1 2.86Å; S818-D838 VanDerWaalsContact N-OD1 3.12Å; S818-D838 PolarHBondContact N-OD2 3.32Å; S818-D838 PolarHBondContact OG-OD2 2.92Å; V819-D838 WeakPolarHBondContact CB-OD1 3.45Å; V819-D838 WeakPolarHBondContact CG2-OD1 3.35Å; V819-D838 PolarHBondContact N-OD1 3.1Å
839	H	95.4	Very high	92.3	Very high	97 Å²	97	50 Å²	50	45%	0.449	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-21.9	176.3	67.6	-71.5	0	0	0	114.2	P814 Y837 D1038	P814-H839 HydrophobicContact CG-CB 4.36Å; P814-H839 PolarHBondContact O-CE1 3.37Å; Y837-H839 VanDerWaalsContact C-N 3.29Å; Y837-H839 WeakPolarHBondContact CB-CE1 3.38Å; Y837-H839 VanDerWaalsContact CB-ND1 3.29Å; Y837-H839 WeakPolarHBondContact CB-ND1 3.47Å; Y837-H839 AromaticContact CD2-CE1 3.63Å; Y837-H839 AromaticContact CG-CE1 3.57Å; Y837-H839 PolarHBondContact O-N 2.86Å; H839-D1038 PolarHBondContact NE2-O 3.24Å; H839-D1038 VanDerWaalsContact NE2-O 3.1Å
840	S	95.1	Very high	91.6	Very high	7 Å²	7	53.6 Å²	53.6	5%	0.049	29%	0.285	C	S	.	.	S	Bend	trans	-131.4	46	-174	64.5	0	0	0	0	112.2	Y837 S859 P860 Q1039	Y837-S840 CarbonylContact O-C 3.48Å; Y837-S840 PolarHBondContact O-N 3.43Å; S840-S859 VanDerWaalsContact O-CA 3.26Å; S840-S859 WeakPolarHBondContact O-CA 3.4Å; S840-S859 WeakPolarHBondContact O-CB 3.22Å; S840-S859 PolarHBondContact O-OG 2.87Å; S840-P860 WeakPolarHBondContact O-CD 3.37Å; S840-Q1039 WeakPolarHBondContact CB-O 3.32Å; S840-Q1039 PolarHBondContact OG-O 3.18Å
841	R	95.8	Very high	91	Very high	48 Å²	48	53 Å²	53	18%	0.181	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-102.7	149.1	168.2	66.9	-173.7	-172.4	93.2	-1.4	111.7	V836 Y837 D854	V836-R841 HydrophobicContact CB-CB 3.83Å; V836-R841 HydrophobicContact CG1-CB 4.4Å; V836-R841 HydrophobicContact CG2-CB 3.65Å; Y837-R841 WeakPolarHBondContact O-CB 3.35Å; Y837-R841 PolarHBondContact O-N 3.08Å; R841-D854 IonicContact CZ-OD2 3.55Å; R841-D854 IonicContact NH1-OD1 2.82Å; R841-D854 IonicContact NH1-OD2 3.4Å; R841-D854 PolarHBondContact NH1-OD2 2.94Å; R841-D854 IonicContact NH2-OD2 2.77Å; R841-D854 PolarHBondContact NH2-OD2 3.48Å
842	I	97	Very high	90.8	Very high	31 Å²	31	57.8 Å²	57.8	16%	0.159	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-73.3	129	164.3	-61.6	-63.3	0	0	0	108.7	L844 I856 A858 P860 I872 M888	I842-L844 HydrophobicContact CG2-CD2 4.34Å; I842-I856 HydrophobicContact CB-CG2 3.98Å; I842-I856 HydrophobicContact CG2-CG2 3.99Å; I842-A858 HydrophobicContact CB-CB 4.4Å; I842-A858 HydrophobicContact CG1-CB 4.04Å; I842-A858 PolarHBondContact N-O 3.04Å; I842-P860 HydrophobicContact CD1-CB 3.98Å; I842-P860 HydrophobicContact CD1-CG 4.12Å; I842-I872 HydrophobicContact CD1-CD1 4Å; I842-I872 HydrophobicContact CD1-CG1 4.12Å; I842-I872 HydrophobicContact CD1-CG2 4.36Å; I842-I872 HydrophobicContact CG1-CG2 3.99Å; I842-M888 HydrophobicContact CB-SD 4.47Å; I842-M888 HydrophobicContact CG1-SD 4.29Å; I842-M888 HydrophobicContact CG2-CG 4.15Å; I842-M888 HydrophobicContact CG2-SD 4.26Å
843	T	96.1	Very high	90.9	Very high	89 Å²	89	52.7 Å²	52.7	55%	0.546	29%	0.285	S	S	.	.	B	Isolated β-bridge	trans	-100.8	119.8	171.6	51.9	0	0	0	0	109.9	D854	T843-D854 WeakPolarHBondContact CA-O 3.37Å
844	L	96.1	Very high	91.2	Very high	7 Å²	7	50.3 Å²	50.3	4%	0.037	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-79.8	150.8	171.6	-58.7	-175.9	0	0	0	110.8	I842 S846 D854 I856 D884 Q887 M888	I842-L844 HydrophobicContact CG2-CD2 4.34Å; L844-S846 PolarHBondContact O-N 2.86Å; L844-D854 PolarHBondContact N-O 3.3Å; L844-D854 WeakPolarHBondContact O-CA 3.5Å; L844-D854 WeakPolarHBondContact O-CB 3.2Å; L844-I856 HydrophobicContact CD1-CB 4.15Å; L844-I856 HydrophobicContact CD1-CG2 4.29Å; L844-I856 HydrophobicContact CD2-CG2 4.07Å; L844-I856 HydrophobicContact CG-CB 4.38Å; L844-I856 HydrophobicContact CG-CG2 4Å; L844-D884 HydrophobicContact CD1-CB 3.88Å; L844-Q887 HydrophobicContact CD1-CB 4.47Å; L844-Q887 HydrophobicContact CD2-CB 4.47Å; L844-Q887 HydrophobicContact CD2-CG 4.23Å; L844-M888 HydrophobicContact CD2-CB 3.95Å
845	K	92.7	Very high	91.5	Very high	122 Å²	122	50 Å²	50	53%	0.53	26%	0.257	S	S	.	.			trans	-72.3	111.4	171.7	-65.3	-178.7	179.9	-175.6	0	110.7	E847 N848 N849 Q887 E891	K845-E847 PolarHBondContact O-N 2.94Å; K845-E847 VanDerWaalsContact O-N 3.16Å; K845-N848 HydrophobicContact CB-CB 4.43Å; K845-N848 PolarHBondContact O-N 2.95Å; K845-N849 PolarHBondContact O-N 3.45Å; K845-Q887 PolarHBondContact O-NE2 3.25Å; K845-E891 WeakPolarHBondContact CB-OE1 3.49Å; K845-E891 PolarHBondContact N-OE2 3.03Å
846	S	85.5	Confident	91.6	Very high	47 Å²	47	50.1 Å²	50.1	33%	0.329	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-60.5	-26.6	-175.9	-49.2	0	0	0	0	113.3	L844 N848 N849	L844-S846 PolarHBondContact O-N 2.86Å; S846-N848 VanDerWaalsContact C-N 3.31Å; S846-N848 PolarHBondContact O-N 3.38Å; S846-N849 PolarHBondContact O-N 2.85Å
847	E	83.4	Confident	91.6	Very high	160 Å²	160	50.2 Å²	50.2	75%	0.748	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-71.1	-25.6	178.3	-46.9	90.5	154.1	0	0	113.1	K845	K845-E847 PolarHBondContact O-N 2.94Å; K845-E847 VanDerWaalsContact O-N 3.16Å
848	N	80.6	Confident	91.6	Very high	44 Å²	44	49.3 Å²	49.3	24%	0.235	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-95.5	-7.7	176.6	-64.4	-22.5	0	0	0	112.4	K845 S846 E891 H924	K845-N848 HydrophobicContact CB-CB 4.43Å; K845-N848 PolarHBondContact O-N 2.95Å; S846-N848 VanDerWaalsContact C-N 3.31Å; S846-N848 PolarHBondContact O-N 3.38Å; N848-E891 PolarHBondContact ND2-OE1 3.03Å; N848-H924 PolarHBondContact O-CD2 3.07Å; N848-H924 PolarHBondContact O-NE2 3.35Å
849	N	85.4	Confident	91.7	Very high	4 Å²	4	47.4 Å²	47.4	2%	0.021	24%	0.244	C	C	.	.			trans	-91.6	128.2	-171	-173.6	-92.6	0	0	0	111.6	K845 S846 S851 N852 S853 D884 Q887	K845-N849 PolarHBondContact O-N 3.45Å; S846-N849 PolarHBondContact O-N 2.85Å; N849-S851 PolarHBondContact O-N 2.94Å; N849-S851 WeakPolarHBondContact OD1-CA 3.41Å; N849-S851 WeakPolarHBondContact OD1-CB 3.47Å; N849-S851 PolarHBondContact OD1-N 3.37Å; N849-S851 PolarHBondContact OD1-OG 2.94Å; N849-N852 PolarHBondContact O-N 3.25Å; N849-N852 PolarHBondContact OD1-N 3.26Å; N849-S853 WeakPolarHBondContact CB-O 3.44Å; N849-S853 VanDerWaalsContact CG-O 3.23Å; N849-S853 PolarHBondContact OD1-N 2.88Å; N849-S853 PolarHBondContact OD1-O 3.44Å; N849-D884 PolarHBondContact ND2-OD1 2.94Å; N849-Q887 PolarHBondContact ND2-OE1 2.94Å
850	H	81	Confident	91.8	Very high	90 Å²	90	43.8 Å²	43.8	42%	0.417	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-9.7	-178.1	75.9	83	0	0	0	115.3	A883 D884 H924	H850-A883 VanDerWaalsContact CD2-CB 3.47Å; H850-A883 WeakPolarHBondContact CD2-CB 3.3Å; H850-D884 IonicContact NE2-OD1 3.14Å; H850-H924 HydrophobicContact CB-CB 4.4Å
851	S	83	Confident	91.9	Very high	45 Å²	45	43.5 Å²	43.5	32%	0.315	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.4	8	178.7	71.1	0	0	0	0	113.5	R828 N849 S853	R828-S851 PolarHBondContact NH1-OG 3.25Å; R828-S851 VanDerWaalsContact NH1-OG 3.08Å; R828-S851 PolarHBondContact NH2-OG 2.94Å; N849-S851 PolarHBondContact O-N 2.94Å; N849-S851 WeakPolarHBondContact OD1-CA 3.41Å; N849-S851 WeakPolarHBondContact OD1-CB 3.47Å; N849-S851 PolarHBondContact OD1-N 3.37Å; N849-S851 PolarHBondContact OD1-OG 2.94Å; S851-S853 PolarHBondContact O-N 3.34Å
852	N	85.4	Confident	91.8	Very high	134 Å²	134	43.5 Å²	43.5	72%	0.717	23%	0.23	S	C	*	.	S	Bend	trans	52.4	30.3	-173.8	-58.7	-32.2	0	0	0	113.9	N849	N849-N852 PolarHBondContact O-N 3.25Å; N849-N852 PolarHBondContact OD1-N 3.26Å
853	S	90.4	Very high	91.4	Very high	17 Å²	17	42.6 Å²	42.6	12%	0.119	23%	0.226	C	C	.	.			trans	-107.4	150.8	178.1	-173.4	0	0	0	0	111.1	R828 N849 S851 Y855	R828-S853 VanDerWaalsContact NH2-CB 3.31Å; N849-S853 WeakPolarHBondContact CB-O 3.44Å; N849-S853 VanDerWaalsContact CG-O 3.23Å; N849-S853 PolarHBondContact OD1-N 2.88Å; N849-S853 PolarHBondContact OD1-O 3.44Å; S851-S853 PolarHBondContact O-N 3.34Å; S853-Y855 PolarHBondContact OG-N 3.4Å
854	D	94.6	Very high	90.7	Very high	44 Å²	44	44.6 Å²	44.6	24%	0.235	23%	0.229	C	C	.	.			trans	-95.6	-3.1	171.9	74.1	-37.6	0	0	0	112.7	R841 T843 L844	R841-D854 IonicContact CZ-OD2 3.55Å; R841-D854 IonicContact NH1-OD1 2.82Å; R841-D854 IonicContact NH1-OD2 3.4Å; R841-D854 PolarHBondContact NH1-OD2 2.94Å; R841-D854 IonicContact NH2-OD2 2.77Å; R841-D854 PolarHBondContact NH2-OD2 3.48Å; T843-D854 WeakPolarHBondContact CA-O 3.37Å; L844-D854 PolarHBondContact N-O 3.3Å; L844-D854 WeakPolarHBondContact O-CA 3.5Å; L844-D854 WeakPolarHBondContact O-CB 3.2Å
855	Y	96.7	Very high	90.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-92.9	126.9	-166.9	-176.1	-93.1	0	0	0	114.1	V819 G820 N825 R828 N829 V836 S853 N857	V819-Y855 HydrophobicContact CG1-CD2 4.08Å; G820-Y855 VanDerWaalsContact CA-CZ 3.46Å; G820-Y855 VanDerWaalsContact CA-OH 3.29Å; G820-Y855 WeakPolarHBondContact CA-OH 3.46Å; N825-Y855 HydrophobicContact CB-CD1 3.79Å; N825-Y855 HydrophobicContact CB-CD2 4.37Å; N825-Y855 HydrophobicContact CB-CE1 3.99Å; N825-Y855 HydrophobicContact CB-CG 3.98Å; R828-Y855 HydrophobicContact CB-CD1 4.13Å; R828-Y855 HydrophobicContact CB-CE1 4.11Å; N829-Y855 PolarHBondContact OD1-OH 2.91Å; V836-Y855 HydrophobicContact CG2-CE2 3.53Å; S853-Y855 PolarHBondContact OG-N 3.4Å; Y855-N857 HydrophobicContact CE1-CB 4.35Å
856	I	97.6	Very high	89.7	Confident	8 Å²	8	44.9 Å²	44.9	4%	0.041	24%	0.241	C	C	.	.			trans	-136.5	143.4	160.2	-173.6	166.7	0	0	0	109.5	I842 L844 A858 D884 F885 M888	I842-I856 HydrophobicContact CB-CG2 3.98Å; I842-I856 HydrophobicContact CG2-CG2 3.99Å; L844-I856 HydrophobicContact CD1-CB 4.15Å; L844-I856 HydrophobicContact CD1-CG2 4.29Å; L844-I856 HydrophobicContact CD2-CG2 4.07Å; L844-I856 HydrophobicContact CG-CB 4.38Å; L844-I856 HydrophobicContact CG-CG2 4Å; I856-A858 HydrophobicContact CG2-CB 4.31Å; I856-A858 PolarHBondContact O-N 3.5Å; I856-D884 HydrophobicContact CD1-CB 4.19Å; I856-F885 HydrophobicContact CD1-CB 4.36Å; I856-M888 HydrophobicContact CD1-CB 4.07Å; I856-M888 HydrophobicContact CD1-CE 3.98Å; I856-M888 HydrophobicContact CD1-SD 3.97Å; I856-M888 HydrophobicContact CG2-SD 4.19Å
857	N	97.6	Very high	89.6	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.005	26%	0.262	C	S	.	.	S	Bend	trans	-77.7	77	173.5	-171.2	-32	0	0	0	110.4	N829 V834 Y855 Q875 R1040	N829-N857 PolarHBondContact OD1-ND2 2.96Å; V834-N857 PolarHBondContact O-ND2 2.89Å; Y855-N857 HydrophobicContact CE1-CB 4.35Å; N857-Q875 HydrophobicContact CB-CG 4.16Å; N857-Q875 PolarHBondContact O-N 2.76Å; N857-R1040 PolarHBondContact OD1-NH1 3.16Å; N857-R1040 PolarHBondContact OD1-NH2 2.81Å
858	A	98.1	Very high	89.7	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	145.5	172	0	0	0	0	0	111.3	V836 I842 I856 I872 A873 A874 M888	V836-A858 VanDerWaalsContact CG1-N 3.3Å; V836-A858 WeakPolarHBondContact CG1-O 3.33Å; I842-A858 HydrophobicContact CB-CB 4.4Å; I842-A858 HydrophobicContact CG1-CB 4.04Å; I842-A858 PolarHBondContact N-O 3.04Å; I856-A858 HydrophobicContact CG2-CB 4.31Å; I856-A858 PolarHBondContact O-N 3.5Å; A858-I872 HydrophobicContact CB-CG2 3.86Å; A858-A873 CarbonylContact C-O 3.49Å; A858-A873 VanDerWaalsContact CA-O 3.31Å; A858-A873 WeakPolarHBondContact CA-O 3.42Å; A858-A874 HydrophobicContact CB-CB 3.61Å; A858-M888 HydrophobicContact CB-CE 4.08Å; A858-M888 HydrophobicContact CB-SD 3.39Å; A858-M888 WeakPolarHBondContact CB-SD 3.49Å
859	S	98.1	Very high	90.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	134.7	179.8	-63.6	0	0	0	0	111.1	S840 I872 A873 Q1039	S840-S859 VanDerWaalsContact O-CA 3.26Å; S840-S859 WeakPolarHBondContact O-CA 3.4Å; S840-S859 WeakPolarHBondContact O-CB 3.22Å; S840-S859 PolarHBondContact O-OG 2.87Å; S859-I872 CarbonylContact O-C 3.56Å; S859-I872 WeakPolarHBondContact O-CA 3.25Å; S859-A873 PolarHBondContact N-O 3.48Å; S859-A873 PolarHBondContact O-N 3.36Å; S859-Q1039 WeakPolarHBondContact CB-O 3.32Å; S859-Q1039 PolarHBondContact OG-O 3.16Å
860	P	97.2	Very high	90.6	Very high	22 Å²	22	48.3 Å²	48.3	14%	0.143	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	139.7	165.4	30	-30.6	0	0	0	109.6	S840 I842 M862 P869	S840-P860 WeakPolarHBondContact O-CD 3.37Å; I842-P860 HydrophobicContact CD1-CB 3.98Å; I842-P860 HydrophobicContact CD1-CG 4.12Å; P860-M862 HydrophobicContact CB-SD 4.06Å; P860-M862 HydrophobicContact CG-SD 4.44Å; P860-P869 HydrophobicContact CB-CB 3.8Å; P860-P869 HydrophobicContact CB-CG 4.33Å
861	I	96.9	Very high	91.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	114.1	176.1	-52	-64.7	0	0	0	109.1	T870 Y871 A873 I1011 M1015 L1036 Q1039 R1040 M1043	I861-T870 PolarHBondContact O-N 2.98Å; I861-Y871 HydrophobicContact CB-CD2 4.22Å; I861-Y871 HydrophobicContact CG2-CD2 4.1Å; I861-Y871 PolarHBondContact N-O 3.47Å; I861-Y871 PolarHBondContact O-N 3.38Å; I861-A873 HydrophobicContact CD1-CB 4.14Å; I861-A873 HydrophobicContact CG1-CB 3.85Å; I861-I1011 HydrophobicContact CG2-CG2 4.26Å; I861-M1015 HydrophobicContact CG2-CE 3.86Å; I861-L1036 HydrophobicContact CG2-CD2 3.51Å; I861-Q1039 HydrophobicContact CD1-CB 3.81Å; I861-R1040 HydrophobicContact CD1-CB 4.24Å; I861-M1043 HydrophobicContact CD1-CE 4.15Å
862	M	93.6	Very high	92.1	Very high	48 Å²	48	42 Å²	42	24%	0.236	22%	0.216	C	C	.	.			trans	-91.6	139.1	177.1	-67.8	71.7	75.4	0	0	110.4	P860 P869 H1035 Q1039	P860-M862 HydrophobicContact CB-SD 4.06Å; P860-M862 HydrophobicContact CG-SD 4.44Å; M862-P869 HydrophobicContact SD-CB 4.31Å; M862-H1035 PolarHBondContact O-NE2 2.99Å; M862-Q1039 VanDerWaalsContact CE-OE1 3.27Å; M862-Q1039 PolarHBondContact O-NE2 3.18Å
863	D	88.7	Confident	92.7	Very high	12 Å²	12	35.7 Å²	35.7	6%	0.064	18%	0.182	C	C	.	.	S	Bend	trans	-98.7	-66.7	175.3	167.7	39.2	0	0	0	111.8	M1015 R1019 K1022	D863-M1015 HydrophobicContact CB-CE 4.17Å; D863-M1015 HydrophobicContact CB-CG 4.49Å; D863-R1019 PolarHBondContact O-NH2 3.26Å; D863-R1019 VanDerWaalsContact O-NH2 3.1Å; D863-R1019 IonicContact OD1-CZ 3Å; D863-R1019 IonicContact OD1-NE 3.3Å; D863-R1019 PolarHBondContact OD1-NE 3.33Å; D863-R1019 IonicContact OD1-NH2 3.38Å; D863-R1019 PolarHBondContact OD1-NH2 2.86Å; D863-K1022 IonicContact OD2-NZ 2.71Å; D863-K1022 PolarHBondContact OD2-NZ 3.29Å
864	H	81.2	Confident	93.1	Very high	132 Å²	132	34.9 Å²	34.9	61%	0.611	18%	0.177	S	C	*	.	S	Bend	trans	-135.9	-27.3	-171.5	65.5	-74.3	0	0	0	113.8	K1022	H864-K1022 PolarHBondContact CE1-NZ 3.03Å; H864-K1022 VanDerWaalsContact CE1-NZ 3.31Å; H864-K1022 PolarHBondContact ND1-NZ 3.47Å; H864-K1022 VanDerWaalsContact ND1-NZ 3.13Å
865	D	83.9	Confident	93.2	Very high	31 Å²	31	33.1 Å²	33.1	17%	0.166	17%	0.167	C	C	.	.			trans	-102.6	110.1	167.5	-175.5	-5.7	0	0	0	108.9	R867 N868	D865-R867 PolarHBondContact O-N 3.43Å; D865-R867 VanDerWaalsContact O-N 3.12Å; D865-R867 WeakPolarHBondContact OD1-CB 3.47Å; D865-R867 IonicContact OD1-CZ 3.53Å; D865-R867 PolarHBondContact OD1-N 3.24Å; D865-R867 IonicContact OD1-NE 2.81Å; D865-R867 PolarHBondContact OD1-NE 3.08Å; D865-R867 IonicContact OD1-NH2 3.68Å; D865-R867 PolarHBondContact OD1-NH2 3.19Å; D865-R867 IonicContact OD2-CZ 3.53Å; D865-R867 IonicContact OD2-NE 3.47Å; D865-R867 PolarHBondContact OD2-NE 3.25Å; D865-R867 IonicContact OD2-NH2 3.33Å; D865-R867 PolarHBondContact OD2-NH2 2.79Å; D865-N868 HydrophobicContact CB-CB 4.5Å; D865-N868 PolarHBondContact O-N 3.48Å; D865-N868 PolarHBondContact OD2-ND2 3.16Å
866	P	84.4	Confident	93.3	Very high	103 Å²	103	33.1 Å²	33.1	67%	0.669	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-10.6	-178.3	28.3	-35.4	0	0	0	113.5
867	R	84	Confident	93.3	Very high	200 Å²	200	32.8 Å²	32.8	76%	0.755	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-13.5	-179.7	-53.9	164.3	-61.6	170.5	10.7	113.3	D865	D865-R867 PolarHBondContact O-N 3.43Å; D865-R867 VanDerWaalsContact O-N 3.12Å; D865-R867 WeakPolarHBondContact OD1-CB 3.47Å; D865-R867 IonicContact OD1-CZ 3.53Å; D865-R867 PolarHBondContact OD1-N 3.24Å; D865-R867 IonicContact OD1-NE 2.81Å; D865-R867 PolarHBondContact OD1-NE 3.08Å; D865-R867 IonicContact OD1-NH2 3.68Å; D865-R867 PolarHBondContact OD1-NH2 3.19Å; D865-R867 IonicContact OD2-CZ 3.53Å; D865-R867 IonicContact OD2-NE 3.47Å; D865-R867 PolarHBondContact OD2-NE 3.25Å; D865-R867 IonicContact OD2-NH2 3.33Å; D865-R867 PolarHBondContact OD2-NH2 2.79Å
868	N	84.9	Confident	93.2	Very high	50 Å²	50	34.3 Å²	34.3	27%	0.267	17%	0.173	S	C	.	.	S	Bend	trans	-133	98.1	-172.3	-70.8	-77.1	0	0	0	109.4	D865 T870 S993	D865-N868 HydrophobicContact CB-CB 4.5Å; D865-N868 PolarHBondContact O-N 3.48Å; D865-N868 PolarHBondContact OD2-ND2 3.16Å; N868-T870 PolarHBondContact O-N 2.96Å; N868-S993 WeakPolarHBondContact OD1-CB 3.46Å; N868-S993 PolarHBondContact OD1-OG 3.4Å
869	P	92.3	Very high	93.1	Very high	39 Å²	39	37.7 Å²	37.7	25%	0.253	20%	0.201	S	C	.	.			trans	-60.3	133	176.7	25.6	-33.4	0	0	0	110.1	P860 M862	P860-P869 HydrophobicContact CB-CB 3.8Å; P860-P869 HydrophobicContact CB-CG 4.33Å; M862-P869 HydrophobicContact SD-CB 4.31Å
870	T	93.3	Very high	93	Very high	39 Å²	39	41 Å²	41	24%	0.239	23%	0.225	C	C	.	.	S	Bend	trans	-85.4	-32.3	178.6	-55.3	0	0	0	0	110.5	I861 N868 I996	I861-T870 PolarHBondContact O-N 2.98Å; N868-T870 PolarHBondContact O-N 2.96Å; T870-I996 PolarHBondContact O-N 2.98Å
871	Y	96.7	Very high	93	Very high	1 Å²	1	40.2 Å²	40.2	0%	0.004	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	162.4	176.1	-38.1	-92.8	0	0	0	110.6	I861 I996 V998 I1011 D1014 M1015 N1018	I861-Y871 HydrophobicContact CB-CD2 4.22Å; I861-Y871 HydrophobicContact CG2-CD2 4.1Å; I861-Y871 PolarHBondContact N-O 3.47Å; I861-Y871 PolarHBondContact O-N 3.38Å; Y871-I996 CarbonylContact C-O 3.52Å; Y871-I996 WeakPolarHBondContact CA-O 3.3Å; Y871-I996 HydrophobicContact CD1-CB 4.16Å; Y871-I996 HydrophobicContact CD1-CD1 4.11Å; Y871-I996 HydrophobicContact CE1-CD1 4.01Å; Y871-V998 HydrophobicContact CD1-CG2 4.25Å; Y871-I1011 HydrophobicContact CD1-CG1 4.21Å; Y871-I1011 HydrophobicContact CD2-CG2 3.9Å; Y871-I1011 HydrophobicContact CE2-CG2 4.06Å; Y871-I1011 HydrophobicContact CG-CD1 4.42Å; Y871-I1011 HydrophobicContact CG-CG1 4.15Å; Y871-I1011 HydrophobicContact CG-CG2 4.29Å; Y871-D1014 VanDerWaalsContact CE1-OD2 3.24Å; Y871-D1014 WeakPolarHBondContact CE1-OD2 3.25Å; Y871-D1014 PolarHBondContact OH-OD2 3.14Å; Y871-M1015 HydrophobicContact CD2-CE 4.41Å; Y871-M1015 HydrophobicContact CE2-CE 3.98Å; Y871-N1018 PolarHBondContact OH-ND2 2.84Å
872	I	98.3	Very high	93	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.01	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	113.2	161	-67.4	171.7	0	0	0	106.4	I842 A858 S859 M888 P995 I996 I997 V998	I842-I872 HydrophobicContact CD1-CD1 4Å; I842-I872 HydrophobicContact CD1-CG1 4.12Å; I842-I872 HydrophobicContact CD1-CG2 4.36Å; I842-I872 HydrophobicContact CG1-CG2 3.99Å; A858-I872 HydrophobicContact CB-CG2 3.86Å; S859-I872 CarbonylContact O-C 3.56Å; S859-I872 WeakPolarHBondContact O-CA 3.25Å; I872-M888 HydrophobicContact CG2-CE 4.36Å; I872-M888 HydrophobicContact CG2-SD 3.79Å; I872-P995 HydrophobicContact CD1-CB 4.15Å; I872-P995 HydrophobicContact CD1-CG 3.75Å; I872-P995 HydrophobicContact CG1-CB 4.01Å; I872-P995 HydrophobicContact CG1-CG 4.18Å; I872-I996 PolarHBondContact N-O 3.28Å; I872-I997 HydrophobicContact CB-CG1 4Å; I872-I997 HydrophobicContact CD1-CG1 4.32Å; I872-I997 HydrophobicContact CG2-CG1 4.37Å; I872-I997 WeakPolarHBondContact O-CA 3.36Å; I872-V998 PolarHBondContact O-N 3.04Å
873	A	98.4	Very high	93.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	113.8	176.7	0	0	0	0	0	109	A858 S859 I861 I1011 M1043	A858-A873 CarbonylContact C-O 3.49Å; A858-A873 VanDerWaalsContact CA-O 3.31Å; A858-A873 WeakPolarHBondContact CA-O 3.42Å; S859-A873 PolarHBondContact N-O 3.48Å; S859-A873 PolarHBondContact O-N 3.36Å; I861-A873 HydrophobicContact CD1-CB 4.14Å; I861-A873 HydrophobicContact CG1-CB 3.85Å; A873-I1011 HydrophobicContact CB-CD1 3.95Å; A873-M1043 HydrophobicContact CB-CE 4.34Å; A873-M1043 HydrophobicContact CB-SD 4.35Å
874	A	98.2	Very high	93.5	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.008	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	153.7	-172.7	0	0	0	0	0	111.9	A858 M888 V998 H999 G1003	A858-A874 HydrophobicContact CB-CB 3.61Å; A874-M888 HydrophobicContact CB-CE 3.89Å; A874-V998 PolarHBondContact N-O 2.95Å; A874-H999 HydrophobicContact CB-CB 4.42Å; A874-H999 VanDerWaalsContact O-CA 3.26Å; A874-H999 WeakPolarHBondContact O-CA 3.43Å; A874-H999 WeakPolarHBondContact O-CB 3.41Å; A874-G1003 WeakPolarHBondContact O-CA 3.24Å
875	Q	97.5	Very high	94.3	Very high	7 Å²	7	32.5 Å²	32.5	3%	0.033	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-68.4	157	167.4	73.8	178.2	19.9	0	0	111.5	R828 N857 S1001	R828-Q875 PolarHBondContact O-NE2 3.43Å; N857-Q875 HydrophobicContact CB-CG 4.16Å; N857-Q875 PolarHBondContact O-N 2.76Å; Q875-S1001 CarbonylContact C-O 3.53Å; Q875-S1001 WeakPolarHBondContact CA-O 3.46Å; Q875-S1001 WeakPolarHBondContact CB-O 3.09Å
876	G	97.8	Very high	95	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-63.6	124.5	166.5	0	0	0	0	0	110.2	R830 H999 C1000 S1001	R830-G876 PolarHBondContact NE-O 3.42Å; R830-G876 PolarHBondContact NH2-O 2.95Å; G876-H999 WeakPolarHBondContact CA-CE1 3.32Å; G876-H999 PolarHBondContact N-CE1 3.08Å; G876-C1000 WeakPolarHBondContact CA-O 3.4Å; G876-C1000 PolarHBondContact N-O 3.43Å; G876-S1001 PolarHBondContact N-O 2.9Å
877	P	97.9	Very high	95.6	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.006	15%	0.146	C	C	.	.	P	Polyproline II helix	trans	-50	144.9	-172.9	-33.2	37.9	0	0	0	114.5	R830 V882 F885 H912 Y914	R830-P877 PolarHBondContact NH2-O 2.74Å; P877-V882 HydrophobicContact CB-CG2 4.49Å; P877-F885 HydrophobicContact CB-CB 4.44Å; P877-F885 HydrophobicContact CG-CB 3.9Å; P877-F885 HydrophobicContact CG-CD1 4.01Å; P877-F885 HydrophobicContact CG-CD2 3.59Å; P877-F885 HydrophobicContact CG-CE1 4.43Å; P877-F885 HydrophobicContact CG-CE2 4.05Å; P877-F885 HydrophobicContact CG-CG 3.56Å; P877-F885 HydrophobicContact CG-CZ 4.45Å; P877-H912 WeakPolarHBondContact O-CB 3.37Å; P877-H912 PolarHBondContact O-N 3.44Å; P877-Y914 HydrophobicContact CB-CD1 4.33Å; P877-Y914 HydrophobicContact CG-CD1 3.75Å; P877-Y914 HydrophobicContact CG-CE1 4.22Å; P877-Y914 HydrophobicContact CG-CG 4.1Å
878	L	96.8	Very high	96.3	Very high	32 Å²	32	16.7 Å²	16.7	17%	0.168	11%	0.111	C	C	.	.	P	Polyproline II helix	trans	-89.6	160.4	166.1	-63.2	169.4	0	0	0	109	R828 R830 S880 T881 V882	R828-L878 WeakPolarHBondContact O-CD1 3.39Å; R830-L878 HydrophobicContact CB-CD2 4.13Å; R830-L878 HydrophobicContact CG-CD2 4.41Å; L878-S880 PolarHBondContact O-N 2.88Å; L878-S880 VanDerWaalsContact O-N 3.15Å; L878-T881 HydrophobicContact CB-CG2 4.18Å; L878-T881 HydrophobicContact CD1-CG2 4.31Å; L878-T881 PolarHBondContact N-OG1 2.91Å; L878-T881 PolarHBondContact O-N 2.95Å; L878-T881 PolarHBondContact O-OG1 3.3Å; L878-V882 WeakPolarHBondContact O-CG2 3.18Å; L878-V882 PolarHBondContact O-N 2.87Å
879	A	95.6	Very high	96.8	Very high	72 Å²	72	14.3 Å²	14.3	60%	0.595	10%	0.098	S	C	*	.	G	3₁₀ helix	trans	-53.9	-35.2	174.2	0	0	0	0	0	112.5
880	S	94.9	Very high	97	Very high	70 Å²	70	13.3 Å²	13.3	49%	0.49	9%	0.089	S	C	.	.	G	3₁₀ helix	trans	-74.9	-20.1	176.5	45.1	0	0	0	0	114.8	L878	L878-S880 PolarHBondContact O-N 2.88Å; L878-S880 VanDerWaalsContact O-N 3.15Å
881	T	96.8	Very high	97.1	Very high	4 Å²	4	14.1 Å²	14.1	3%	0.025	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-117.3	14.7	-171.9	75.3	0	0	0	0	113.2	R828 L878 A883 F885	R828-T881 HydrophobicContact CB-CG2 3.95Å; R828-T881 HydrophobicContact CG-CG2 4.23Å; L878-T881 HydrophobicContact CB-CG2 4.18Å; L878-T881 HydrophobicContact CD1-CG2 4.31Å; L878-T881 PolarHBondContact N-OG1 2.91Å; L878-T881 PolarHBondContact O-N 2.95Å; L878-T881 PolarHBondContact O-OG1 3.3Å; T881-A883 VanDerWaalsContact C-N 3.35Å; T881-F885 WeakPolarHBondContact O-CB 3.48Å; T881-F885 PolarHBondContact O-N 3.09Å
882	V	97.7	Very high	96.9	Very high	12 Å²	12	15.7 Å²	15.7	7%	0.073	10%	0.101	C	C	.	.	H	α-helix	trans	-62.6	-42.9	176.2	174.1	0	0	0	0	110.9	P877 L878 F885 W886 Y923	P877-V882 HydrophobicContact CB-CG2 4.49Å; L878-V882 WeakPolarHBondContact O-CG2 3.18Å; L878-V882 PolarHBondContact O-N 2.87Å; V882-F885 PolarHBondContact O-N 3.04Å; V882-W886 VanDerWaalsContact O-CD1 3.26Å; V882-W886 PolarHBondContact O-N 2.96Å; V882-W886 VanDerWaalsContact O-N 3.09Å; V882-Y923 HydrophobicContact CG1-CD1 3.61Å; V882-Y923 HydrophobicContact CG1-CD2 4.31Å; V882-Y923 HydrophobicContact CG1-CE1 3.96Å; V882-Y923 HydrophobicContact CG1-CG 3.8Å
883	A	96.5	Very high	96.6	Very high	15 Å²	15	16.6 Å²	16.6	12%	0.124	11%	0.111	C	C	.	.	H	α-helix	trans	-68.9	-43.3	177.4	0	0	0	0	0	112.1	H850 T881 F885 W886 Q887 H924	H850-A883 VanDerWaalsContact CD2-CB 3.47Å; H850-A883 WeakPolarHBondContact CD2-CB 3.3Å; T881-A883 VanDerWaalsContact C-N 3.35Å; A883-F885 PolarHBondContact O-N 3.39Å; A883-W886 PolarHBondContact O-N 3.35Å; A883-Q887 PolarHBondContact O-N 3.37Å; A883-H924 HydrophobicContact CB-CB 3.95Å
884	D	97.1	Very high	96.4	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-53.9	-42.1	171.6	-65.2	-22.8	0	0	0	111.2	R828 L844 N849 H850 I856 Q887 M888	R828-D884 IonicContact CZ-OD2 2.66Å; R828-D884 IonicContact NH1-OD1 2.74Å; R828-D884 IonicContact NH1-OD2 2.71Å; R828-D884 PolarHBondContact NH1-OD2 2.88Å; L844-D884 HydrophobicContact CD1-CB 3.88Å; N849-D884 PolarHBondContact ND2-OD1 2.94Å; H850-D884 IonicContact NE2-OD1 3.14Å; I856-D884 HydrophobicContact CD1-CB 4.19Å; D884-Q887 WeakPolarHBondContact O-CB 3.36Å; D884-Q887 PolarHBondContact O-N 2.84Å; D884-M888 PolarHBondContact O-N 3.03Å
885	F	98.3	Very high	96.3	Very high	3 Å²	3	17.7 Å²	17.7	1%	0.013	12%	0.117	C	C	.	.	H	α-helix	trans	-66.9	-43.7	178.6	-178.3	-93.5	0	0	0	112.8	I856 P877 T881 V882 A883 Q887 M888 V889 I897 Y914 I997	I856-F885 HydrophobicContact CD1-CB 4.36Å; P877-F885 HydrophobicContact CB-CB 4.44Å; P877-F885 HydrophobicContact CG-CB 3.9Å; P877-F885 HydrophobicContact CG-CD1 4.01Å; P877-F885 HydrophobicContact CG-CD2 3.59Å; P877-F885 HydrophobicContact CG-CE1 4.43Å; P877-F885 HydrophobicContact CG-CE2 4.05Å; P877-F885 HydrophobicContact CG-CG 3.56Å; P877-F885 HydrophobicContact CG-CZ 4.45Å; T881-F885 WeakPolarHBondContact O-CB 3.48Å; T881-F885 PolarHBondContact O-N 3.09Å; V882-F885 PolarHBondContact O-N 3.04Å; A883-F885 PolarHBondContact O-N 3.39Å; F885-Q887 VanDerWaalsContact C-N 3.34Å; F885-M888 HydrophobicContact CD2-CE 3.62Å; F885-M888 HydrophobicContact CE2-CE 3.78Å; F885-M888 WeakPolarHBondContact O-CB 3.2Å; F885-M888 PolarHBondContact O-N 3.19Å; F885-V889 HydrophobicContact CD1-CG2 4.12Å; F885-V889 HydrophobicContact CE1-CG2 3.82Å; F885-V889 HydrophobicContact CZ-CG2 4.28Å; F885-V889 WeakPolarHBondContact O-CG2 3.46Å; F885-V889 PolarHBondContact O-N 2.98Å; F885-I897 HydrophobicContact CE1-CD1 4.12Å; F885-I897 HydrophobicContact CZ-CD1 4.33Å; F885-I897 HydrophobicContact CZ-CG2 4.32Å; F885-Y914 HydrophobicContact CD1-CD2 4.05Å; F885-Y914 HydrophobicContact CD1-CE2 4.24Å; F885-Y914 AromaticContact CE1-CD2 3.78Å; F885-Y914 HydrophobicContact CE1-CD2 3.78Å; F885-Y914 AromaticContact CE1-CE2 3.49Å; F885-Y914 HydrophobicContact CE1-CE2 3.49Å; F885-Y914 VanDerWaalsContact CE1-CE2 3.49Å; F885-Y914 HydrophobicContact CE1-CG 4.49Å; F885-Y914 AromaticContact CE1-CZ 3.94Å; F885-Y914 HydrophobicContact CZ-CE2 4.15Å; F885-I997 HydrophobicContact CE2-CG2 3.94Å; F885-I997 HydrophobicContact CZ-CG2 4.01Å
886	W	97.8	Very high	96.2	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-70.4	-29.7	175.5	-74.5	109	0	0	0	113.2	V882 A883 V889 W890 I897 Y914 Y923 Y926 V928 F945 L947	V882-W886 VanDerWaalsContact O-CD1 3.26Å; V882-W886 PolarHBondContact O-N 2.96Å; V882-W886 VanDerWaalsContact O-N 3.09Å; A883-W886 PolarHBondContact O-N 3.35Å; W886-V889 HydrophobicContact CE3-CB 4.02Å; W886-V889 HydrophobicContact CE3-CG1 4.02Å; W886-V889 HydrophobicContact CE3-CG2 4.1Å; W886-V889 HydrophobicContact CZ3-CB 4.48Å; W886-V889 HydrophobicContact CZ3-CG1 4.05Å; W886-V889 HydrophobicContact CZ3-CG2 4.42Å; W886-V889 PolarHBondContact O-N 2.95Å; W886-W890 WeakPolarHBondContact O-CB 3.27Å; W886-W890 PolarHBondContact O-N 3.44Å; W886-I897 HydrophobicContact CH2-CD1 4.4Å; W886-I897 HydrophobicContact CZ3-CD1 4.44Å; W886-Y914 AromaticContact CZ2-CD2 3.84Å; W886-Y914 HydrophobicContact CZ2-CD2 3.84Å; W886-Y914 HydrophobicContact CZ2-CE2 4.18Å; W886-Y914 WeakPolarHBondContact CZ2-O 3.38Å; W886-Y914 PolarHBondContact NE1-O 3.39Å; W886-Y923 AromaticContact CD1-CD2 3.19Å; W886-Y923 AromaticContact CD1-CE2 3.87Å; W886-Y923 AromaticContact CD1-CG 3.73Å; W886-Y923 HydrophobicContact CD2-CD2 4.44Å; W886-Y923 AromaticContact CG-CD2 3.98Å; W886-Y923 HydrophobicContact CG-CD2 3.98Å; W886-Y923 AromaticContact NE1-CD2 3.2Å; W886-Y923 AromaticContact NE1-CE2 3.35Å; W886-Y926 HydrophobicContact CB-CD2 4.03Å; W886-Y926 HydrophobicContact CB-CG 4.23Å; W886-V928 HydrophobicContact CD2-CG2 3.75Å; W886-V928 HydrophobicContact CE3-CG2 3.92Å; W886-V928 HydrophobicContact CG-CG2 4.31Å; W886-V928 HydrophobicContact CH2-CG1 3.85Å; W886-V928 HydrophobicContact CH2-CG2 4.06Å; W886-V928 HydrophobicContact CZ2-CB 4.47Å; W886-V928 HydrophobicContact CZ2-CG1 3.82Å; W886-V928 HydrophobicContact CZ2-CG2 3.9Å; W886-V928 HydrophobicContact CZ3-CG2 4.07Å; W886-F945 HydrophobicContact CH2-CD2 4.18Å; W886-F945 HydrophobicContact CH2-CG 4.48Å; W886-L947 HydrophobicContact CE3-CD1 4.07Å; W886-L947 HydrophobicContact CE3-CD2 4.11Å; W886-L947 HydrophobicContact CZ3-CD1 4.47Å; W886-L947 HydrophobicContact CZ3-CD2 4.22Å
887	Q	97.1	Very high	96.3	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-60.5	-47	166.8	-173.6	177	-1.3	0	0	110.8	L844 K845 N849 A883 D884 F885 V889 W890 E891 Y926	L844-Q887 HydrophobicContact CD1-CB 4.47Å; L844-Q887 HydrophobicContact CD2-CB 4.47Å; L844-Q887 HydrophobicContact CD2-CG 4.23Å; K845-Q887 PolarHBondContact O-NE2 3.25Å; N849-Q887 PolarHBondContact ND2-OE1 2.94Å; A883-Q887 PolarHBondContact O-N 3.37Å; D884-Q887 WeakPolarHBondContact O-CB 3.36Å; D884-Q887 PolarHBondContact O-N 2.84Å; F885-Q887 VanDerWaalsContact C-N 3.34Å; Q887-V889 PolarHBondContact O-N 3.36Å; Q887-W890 PolarHBondContact O-N 3.3Å; Q887-E891 HydrophobicContact CG-CG 4.15Å; Q887-E891 PolarHBondContact NE2-OE1 3.01Å; Q887-E891 PolarHBondContact NE2-OE2 3.44Å; Q887-E891 WeakPolarHBondContact O-CB 3.33Å; Q887-E891 WeakPolarHBondContact O-CG 3.34Å; Q887-E891 PolarHBondContact O-N 2.99Å; Q887-Y926 HydrophobicContact CB-CE2 3.79Å; Q887-Y926 HydrophobicContact CG-CE2 4.35Å
888	M	97.4	Very high	96.3	Very high	2 Å²	2	17.3 Å²	17.3	1%	0.01	12%	0.116	C	C	.	.	H	α-helix	trans	-58.5	-46.5	174.8	-179.9	175.3	68.2	0	0	112.4	I842 L844 I856 A858 I872 A874 D884 F885 W890 E891 S892 I997	I842-M888 HydrophobicContact CB-SD 4.47Å; I842-M888 HydrophobicContact CG1-SD 4.29Å; I842-M888 HydrophobicContact CG2-CG 4.15Å; I842-M888 HydrophobicContact CG2-SD 4.26Å; L844-M888 HydrophobicContact CD2-CB 3.95Å; I856-M888 HydrophobicContact CD1-CB 4.07Å; I856-M888 HydrophobicContact CD1-CE 3.98Å; I856-M888 HydrophobicContact CD1-SD 3.97Å; I856-M888 HydrophobicContact CG2-SD 4.19Å; A858-M888 HydrophobicContact CB-CE 4.08Å; A858-M888 HydrophobicContact CB-SD 3.39Å; A858-M888 WeakPolarHBondContact CB-SD 3.49Å; I872-M888 HydrophobicContact CG2-CE 4.36Å; I872-M888 HydrophobicContact CG2-SD 3.79Å; A874-M888 HydrophobicContact CB-CE 3.89Å; D884-M888 PolarHBondContact O-N 3.03Å; F885-M888 HydrophobicContact CD2-CE 3.62Å; F885-M888 HydrophobicContact CE2-CE 3.78Å; F885-M888 WeakPolarHBondContact O-CB 3.2Å; F885-M888 PolarHBondContact O-N 3.19Å; M888-W890 VanDerWaalsContact C-N 3.27Å; M888-W890 PolarHBondContact O-N 2.85Å; M888-E891 PolarHBondContact O-N 3.49Å; M888-S892 WeakPolarHBondContact O-CB 3.4Å; M888-S892 PolarHBondContact O-N 3.12Å; M888-S892 PolarHBondContact O-OG 3.41Å; M888-I997 HydrophobicContact CE-CD1 4.07Å; M888-I997 HydrophobicContact CE-CG1 4.46Å; M888-I997 HydrophobicContact CE-CG2 4.32Å; M888-I997 HydrophobicContact CG-CD1 4.44Å
889	V	97.2	Very high	96.3	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-57.4	-42.7	176.2	174.4	0	0	0	0	110.7	F885 W886 Q887 S892 C894 I897 L947 V958 I997	F885-V889 HydrophobicContact CD1-CG2 4.12Å; F885-V889 HydrophobicContact CE1-CG2 3.82Å; F885-V889 HydrophobicContact CZ-CG2 4.28Å; F885-V889 WeakPolarHBondContact O-CG2 3.46Å; F885-V889 PolarHBondContact O-N 2.98Å; W886-V889 HydrophobicContact CE3-CB 4.02Å; W886-V889 HydrophobicContact CE3-CG1 4.02Å; W886-V889 HydrophobicContact CE3-CG2 4.1Å; W886-V889 HydrophobicContact CZ3-CB 4.48Å; W886-V889 HydrophobicContact CZ3-CG1 4.05Å; W886-V889 HydrophobicContact CZ3-CG2 4.42Å; W886-V889 PolarHBondContact O-N 2.95Å; Q887-V889 PolarHBondContact O-N 3.36Å; V889-S892 PolarHBondContact O-OG 2.86Å; V889-C894 HydrophobicContact CG1-CB 4.47Å; V889-C894 PolarHBondContact O-N 2.98Å; V889-I897 HydrophobicContact CG2-CD1 3.93Å; V889-L947 HydrophobicContact CG1-CD2 3.86Å; V889-V958 HydrophobicContact CG1-CG1 4.25Å; V889-V958 HydrophobicContact CG1-CG2 4.04Å; V889-I997 HydrophobicContact CB-CD1 4.26Å; V889-I997 HydrophobicContact CG2-CD1 3.59Å
890	W	95.6	Very high	96.4	Very high	18 Å²	18	12.4 Å²	12.4	7%	0.068	8%	0.079	C	C	.	.	H	α-helix	trans	-70	-48.6	179.4	-172.9	-96.5	0	0	0	113.3	W886 Q887 M888 G893 Y926 L947 N949 E954 R956	W886-W890 WeakPolarHBondContact O-CB 3.27Å; W886-W890 PolarHBondContact O-N 3.44Å; Q887-W890 PolarHBondContact O-N 3.3Å; M888-W890 VanDerWaalsContact C-N 3.27Å; M888-W890 PolarHBondContact O-N 2.85Å; W890-G893 PolarHBondContact O-N 3.25Å; W890-Y926 HydrophobicContact CB-CD1 4.15Å; W890-Y926 HydrophobicContact CB-CE1 3.54Å; W890-Y926 AromaticContact CD1-CE1 3.85Å; W890-Y926 HydrophobicContact CD2-CD1 4.39Å; W890-Y926 AromaticContact CD2-CE1 3.98Å; W890-Y926 HydrophobicContact CD2-CE1 3.98Å; W890-Y926 HydrophobicContact CG-CD1 4.2Å; W890-Y926 AromaticContact CG-CE1 3.46Å; W890-Y926 HydrophobicContact CG-CE1 3.46Å; W890-Y926 VanDerWaalsContact CG-CE1 3.46Å; W890-L947 HydrophobicContact CE3-CD2 3.8Å; W890-L947 HydrophobicContact CE3-CG 3.81Å; W890-L947 HydrophobicContact CZ3-CD2 4.39Å; W890-L947 HydrophobicContact CZ3-CG 4.06Å; W890-N949 HydrophobicContact CD2-CB 4.23Å; W890-N949 HydrophobicContact CE3-CB 4.4Å; W890-N949 HydrophobicContact CH2-CB 3.78Å; W890-N949 HydrophobicContact CZ2-CB 3.56Å; W890-N949 HydrophobicContact CZ3-CB 4.19Å; W890-N949 PolarHBondContact NE1-ND2 3.22Å; W890-E954 HydrophobicContact CH2-CB 3.65Å; W890-E954 WeakPolarHBondContact CH2-O 3.3Å; W890-E954 HydrophobicContact CZ2-CB 3.71Å; W890-E954 WeakPolarHBondContact CZ2-OE2 3.42Å; W890-R956 HydrophobicContact CH2-CG 4Å; W890-R956 HydrophobicContact CZ3-CB 4.27Å; W890-R956 HydrophobicContact CZ3-CG 3.79Å; W890-R956 PolarHBondContact O-NH1 3.04Å
891	E	94.9	Very high	96.3	Very high	56 Å²	56	9 Å²	9	26%	0.262	6%	0.056	S	C	.	.	H	α-helix	trans	-75.6	-32.1	-172.8	-68.4	-176.4	172.3	0	0	112.6	K845 N848 Q887 M888 G893	K845-E891 WeakPolarHBondContact CB-OE1 3.49Å; K845-E891 PolarHBondContact N-OE2 3.03Å; N848-E891 PolarHBondContact ND2-OE1 3.03Å; Q887-E891 HydrophobicContact CG-CG 4.15Å; Q887-E891 PolarHBondContact NE2-OE1 3.01Å; Q887-E891 PolarHBondContact NE2-OE2 3.44Å; Q887-E891 WeakPolarHBondContact O-CB 3.33Å; Q887-E891 WeakPolarHBondContact O-CG 3.34Å; Q887-E891 PolarHBondContact O-N 2.99Å; M888-E891 PolarHBondContact O-N 3.49Å; E891-G893 VanDerWaalsContact C-N 3.27Å; E891-G893 PolarHBondContact O-N 3.24Å
892	S	93.6	Very high	96.2	Very high	34 Å²	34	9.8 Å²	9.8	24%	0.238	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-12	174.3	63.1	0	0	0	0	114.8	M888 V889 C894 P995	M888-S892 WeakPolarHBondContact O-CB 3.4Å; M888-S892 PolarHBondContact O-N 3.12Å; M888-S892 PolarHBondContact O-OG 3.41Å; V889-S892 PolarHBondContact O-OG 2.86Å; S892-C894 PolarHBondContact O-N 2.93Å; S892-C894 WeakPolarHBondContact OG-CB 3.43Å; S892-C894 PolarHBondContact OG-N 2.94Å; S892-P995 WeakPolarHBondContact O-CD 3.3Å
893	G	92.4	Very high	96	Very high	21 Å²	21	12 Å²	12	22%	0.216	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.9	19.5	-172.6	0	0	0	0	0	113.9	W890 E891 C994	W890-G893 PolarHBondContact O-N 3.25Å; E891-G893 VanDerWaalsContact C-N 3.27Å; E891-G893 PolarHBondContact O-N 3.24Å; G893-C994 PolarHBondContact O-SG 3.46Å
894	C	94.1	Very high	95.7	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.007	9%	0.088	C	C	.	.			trans	-64	136.4	-179.6	174.2	0	0	0	0	112.1	V889 S892 V896 I997	V889-C894 HydrophobicContact CG1-CB 4.47Å; V889-C894 PolarHBondContact O-N 2.98Å; S892-C894 PolarHBondContact O-N 2.93Å; S892-C894 WeakPolarHBondContact OG-CB 3.43Å; S892-C894 PolarHBondContact OG-N 2.94Å; C894-V896 PolarHBondContact SG-O 3.37Å; C894-I997 HydrophobicContact CB-CD1 3.65Å; C894-I997 HydrophobicContact CB-CG1 4.07Å; C894-I997 VanDerWaalsContact SG-CD1 3.6Å
895	V	94.5	Very high	95.3	Very high	22 Å²	22	14.6 Å²	14.6	13%	0.133	9%	0.089	C	C	.	.			trans	-123.6	-4.7	174.3	-63.1	0	0	0	0	113.7	T959 C994	V895-T959 PolarHBondContact O-N 3.27Å; V895-C994 HydrophobicContact CG2-CB 4.38Å
896	V	96.8	Very high	94.7	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.006	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	118.8	177	-176.3	0	0	0	0	110.2	C894 V898 T959 F961 V985 C988 R990 I996 I997	C894-V896 PolarHBondContact SG-O 3.37Å; V896-V898 HydrophobicContact CG1-CG2 4.37Å; V896-T959 WeakPolarHBondContact CA-O 3.4Å; V896-F961 HydrophobicContact CG1-CD2 3.83Å; V896-F961 HydrophobicContact CG1-CE2 3.91Å; V896-V985 HydrophobicContact CG1-CG1 4.23Å; V896-C988 HydrophobicContact CG2-CB 4.13Å; V896-R990 HydrophobicContact CG2-CG 4.09Å; V896-I996 HydrophobicContact CB-CG2 4.41Å; V896-I996 HydrophobicContact CG1-CG2 4.18Å; V896-I997 PolarHBondContact O-N 2.91Å; V896-I997 VanDerWaalsContact O-N 3.1Å
897	I	98.4	Very high	94	Very high	0 Å²	0	24 Å²	24	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	136	171.6	-57	171.4	0	0	0	108.4	F885 W886 V889 Y914 V958 T959 Q960 F961 I997	F885-I897 HydrophobicContact CE1-CD1 4.12Å; F885-I897 HydrophobicContact CZ-CD1 4.33Å; F885-I897 HydrophobicContact CZ-CG2 4.32Å; W886-I897 HydrophobicContact CH2-CD1 4.4Å; W886-I897 HydrophobicContact CZ3-CD1 4.44Å; V889-I897 HydrophobicContact CG2-CD1 3.93Å; I897-Y914 WeakPolarHBondContact CG2-OH 3.29Å; I897-V958 HydrophobicContact CD1-CG1 3.72Å; I897-V958 HydrophobicContact CG1-CG1 3.88Å; I897-T959 PolarHBondContact N-O 2.91Å; I897-Q960 HydrophobicContact CB-CB 4.43Å; I897-Q960 CarbonylContact O-C 3.44Å; I897-Q960 WeakPolarHBondContact O-CA 3.35Å; I897-F961 PolarHBondContact O-N 3.08Å; I897-I997 CarbonylContact C-O 3.53Å; I897-I997 WeakPolarHBondContact CA-O 3.21Å; I897-I997 HydrophobicContact CG1-CB 4.4Å; I897-I997 HydrophobicContact CG2-CG2 4.34Å
898	V	98.4	Very high	93.6	Very high	0 Å²	0	28 Å²	28	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	115	175	176.1	0	0	0	0	108.4	V896 L900 F981 V985 I996 I997 V998 H999 Y1010	V896-V898 HydrophobicContact CG1-CG2 4.37Å; V898-L900 HydrophobicContact CG1-CD1 4.34Å; V898-L900 HydrophobicContact CG1-CD2 3.72Å; V898-L900 HydrophobicContact CG1-CG 3.89Å; V898-F981 HydrophobicContact CG1-CE1 3.77Å; V898-F981 HydrophobicContact CG1-CZ 3.93Å; V898-V985 HydrophobicContact CG2-CG1 3.83Å; V898-V985 HydrophobicContact CG2-CG2 4.11Å; V898-I996 HydrophobicContact CG2-CG2 3.74Å; V898-I997 PolarHBondContact N-O 2.83Å; V898-V998 HydrophobicContact CB-CG1 4.31Å; V898-V998 HydrophobicContact CB-CG2 4.25Å; V898-V998 HydrophobicContact CG1-CG1 4.23Å; V898-V998 WeakPolarHBondContact O-CA 3.47Å; V898-H999 PolarHBondContact O-N 2.93Å; V898-Y1010 HydrophobicContact CG1-CD1 4.28Å; V898-Y1010 HydrophobicContact CG1-CE1 3.97Å; V898-Y1010 HydrophobicContact CG2-CE1 4.35Å
899	M	98.1	Very high	93.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	119.3	179.8	177.2	160.4	177.3	0	0	109	T901 L903 C911 Y914 W915 F961 H962 F963 H999	M899-T901 WeakPolarHBondContact CE-O 3.37Å; M899-L903 HydrophobicContact CE-CD2 4.18Å; M899-C911 HydrophobicContact CE-CB 3.84Å; M899-Y914 HydrophobicContact SD-CE1 3.94Å; M899-W915 HydrophobicContact CE-CH2 3.76Å; M899-W915 HydrophobicContact CE-CZ3 3.91Å; M899-W915 HydrophobicContact SD-CH2 3.79Å; M899-W915 HydrophobicContact SD-CZ3 3.56Å; M899-W915 VanDerWaalsContact SD-CZ3 3.56Å; M899-F961 PolarHBondContact N-O 3.04Å; M899-H962 HydrophobicContact CB-CB 4.41Å; M899-H962 WeakPolarHBondContact O-CA 3.48Å; M899-F963 PolarHBondContact O-N 3.08Å; M899-H999 WeakPolarHBondContact CE-NE2 3.4Å; M899-H999 WeakPolarHBondContact CG-NE2 3.43Å; M899-H999 PolarHBondContact SD-NE2 2.87Å
900	L	96.6	Very high	93.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.222	C	C	.	.			trans	-113.7	24.6	-170.6	-59	170.3	0	0	0	113.2	V898 F963 F981 V998 H999 C1000 R1006 Y1010	V898-L900 HydrophobicContact CG1-CD1 4.34Å; V898-L900 HydrophobicContact CG1-CD2 3.72Å; V898-L900 HydrophobicContact CG1-CG 3.89Å; L900-F963 HydrophobicContact CD2-CB 4.09Å; L900-F981 HydrophobicContact CD2-CE1 3.89Å; L900-F981 HydrophobicContact CD2-CZ 4.32Å; L900-V998 HydrophobicContact CD1-CG1 3.79Å; L900-H999 PolarHBondContact N-O 2.86Å; L900-C1000 HydrophobicContact CB-CB 4.23Å; L900-R1006 HydrophobicContact CB-CB 4.22Å; L900-R1006 WeakPolarHBondContact O-CD 3.26Å; L900-R1006 PolarHBondContact O-NH1 2.69Å; L900-R1006 VanDerWaalsContact O-NH1 3.11Å; L900-Y1010 VanDerWaalsContact CD1-CB 3.48Å; L900-Y1010 HydrophobicContact CD1-CD1 4.39Å; L900-Y1010 HydrophobicContact CD1-CG 3.9Å; L900-Y1010 HydrophobicContact CD2-CD2 4.28Å; L900-Y1010 HydrophobicContact CD2-CG 4.43Å
901	T	94.1	Very high	93.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	22%	0.22	C	C	.	.	S	Bend	trans	-151.6	138.7	179.2	-177.3	0	0	0	0	108.9	M899 E905 Q910 C911 H962 C1000 R1006	M899-T901 WeakPolarHBondContact CE-O 3.37Å; T901-E905 PolarHBondContact OG1-OE1 2.92Å; T901-Q910 HydrophobicContact CG2-CB 4.37Å; T901-Q910 VanDerWaalsContact OG1-CB 3.25Å; T901-Q910 WeakPolarHBondContact OG1-CB 3.44Å; T901-C911 HydrophobicContact CG2-CB 4.13Å; T901-H962 PolarHBondContact O-NE2 2.62Å; T901-C1000 HydrophobicContact CG2-CB 4.5Å; T901-C1000 WeakPolarHBondContact CG2-O 3.09Å; T901-R1006 VanDerWaalsContact CB-NH1 3.32Å; T901-R1006 PolarHBondContact OG1-NH1 3.13Å
902	P	93	Very high	93.4	Very high	20 Å²	20	37.8 Å²	37.8	13%	0.13	23%	0.225	C	C	.	.			trans	-63.3	171.6	161.2	28.9	-37.1	0	0	0	111.5	S904 E905 M967	P902-S904 PolarHBondContact O-N 3.35Å; P902-E905 WeakPolarHBondContact CD-OE1 3.45Å; P902-E905 HydrophobicContact CG-CG 3.74Å; P902-M967 HydrophobicContact CG-SD 3.87Å
903	L	93.6	Very high	93.5	Very high	59 Å²	59	38.7 Å²	38.7	31%	0.309	23%	0.225	S	C	.	.	S	Bend	trans	-63.2	-30.8	-179.3	-63.1	170.1	0	0	0	113.3	M899 K909 Q910 C911 H913 W915	M899-L903 HydrophobicContact CE-CD2 4.18Å; L903-K909 CarbonylContact O-C 3.59Å; L903-Q910 PolarHBondContact O-N 3.36Å; L903-C911 HydrophobicContact CD2-CB 4.34Å; L903-C911 PolarHBondContact O-N 3.03Å; L903-C911 VanDerWaalsContact O-N 3.13Å; L903-H913 HydrophobicContact CD2-CB 4.42Å; L903-W915 HydrophobicContact CD2-CH2 3.75Å; L903-W915 HydrophobicContact CD2-CZ2 4.46Å; L903-W915 HydrophobicContact CD2-CZ3 4.35Å; L903-W915 HydrophobicContact CG-CH2 4.39Å
904	S	91.9	Very high	93.8	Very high	66 Å²	66	37.7 Å²	37.7	46%	0.462	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	141.3	-179	57.1	0	0	0	0	112.4	P902 V908	P902-S904 PolarHBondContact O-N 3.35Å; S904-V908 CarbonylContact C-O 3.55Å; S904-V908 WeakPolarHBondContact CA-O 3.37Å; S904-V908 WeakPolarHBondContact CB-O 3.41Å
905	E	88.3	Confident	94	Very high	3 Å²	3	37.8 Å²	37.8	1%	0.014	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	127.2	177.3	-67.7	164.2	-152	0	0	107.3	T901 P902 G907 V908 Q910 M967 D968 R1006	T901-E905 PolarHBondContact OG1-OE1 2.92Å; P902-E905 WeakPolarHBondContact CD-OE1 3.45Å; P902-E905 HydrophobicContact CG-CG 3.74Å; E905-G907 PolarHBondContact O-N 2.97Å; E905-G907 VanDerWaalsContact O-N 3.11Å; E905-V908 PolarHBondContact N-O 3.08Å; E905-V908 WeakPolarHBondContact O-CA 3.46Å; E905-V908 WeakPolarHBondContact O-CB 3.33Å; E905-V908 PolarHBondContact O-N 3.31Å; E905-Q910 HydrophobicContact CB-CG 3.91Å; E905-Q910 HydrophobicContact CG-CG 3.85Å; E905-M967 HydrophobicContact CG-CE 4.39Å; E905-M967 HydrophobicContact CG-SD 4.37Å; E905-D968 WeakPolarHBondContact OE2-CA 3.15Å; E905-D968 PolarHBondContact OE2-N 3.48Å; E905-R1006 VanDerWaalsContact CD-NH2 3.26Å; E905-R1006 IonicContact OE1-CZ 2.71Å; E905-R1006 VanDerWaalsContact OE1-CZ 3.26Å; E905-R1006 IonicContact OE1-NH1 3.55Å; E905-R1006 PolarHBondContact OE1-NH1 3.17Å; E905-R1006 IonicContact OE1-NH2 3.77Å; E905-R1006 PolarHBondContact OE1-NH2 3.29Å; E905-R1006 IonicContact OE2-CZ 3.84Å; E905-R1006 IonicContact OE2-NH1 2.8Å; E905-R1006 IonicContact OE2-NH2 3.58Å; E905-R1006 PolarHBondContact OE2-NH2 3.36Å
906	N	85.5	Confident	94.1	Very high	127 Å²	127	36.9 Å²	36.9	68%	0.679	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.2	38.1	-177.6	-56.5	-34	0	0	0	114.5	V908 D968	N906-V908 PolarHBondContact O-N 2.95Å; N906-D968 PolarHBondContact ND2-OD1 3.49Å; N906-D968 PolarHBondContact ND2-OD2 3.45Å
907	G	82.8	Confident	93.8	Very high	72 Å²	72	42.4 Å²	42.4	74%	0.742	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.8	-14.9	-176.2	0	0	0	0	0	115.2	E905	E905-G907 PolarHBondContact O-N 2.97Å; E905-G907 VanDerWaalsContact O-N 3.11Å
908	V	89.2	Confident	93.4	Very high	87 Å²	87	50.9 Å²	50.9	53%	0.527	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	125.3	177.1	-175.4	0	0	0	0	109.9	S904 E905 N906 Q910	S904-V908 CarbonylContact C-O 3.55Å; S904-V908 WeakPolarHBondContact CA-O 3.37Å; S904-V908 WeakPolarHBondContact CB-O 3.41Å; E905-V908 PolarHBondContact N-O 3.08Å; E905-V908 WeakPolarHBondContact O-CA 3.46Å; E905-V908 WeakPolarHBondContact O-CB 3.33Å; E905-V908 PolarHBondContact O-N 3.31Å; N906-V908 PolarHBondContact O-N 2.95Å; V908-Q910 PolarHBondContact O-N 3.05Å
909	K	92.4	Very high	93.1	Very high	167 Å²	167	52.8 Å²	52.8	73%	0.726	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75	102.1	180	-66.7	180	-179.4	176.6	0	111	R830 L903	R830-K909 PolarHBondContact NH1-O 3Å; L903-K909 CarbonylContact O-C 3.59Å
910	Q	93.7	Very high	93	Very high	30 Å²	30	55.7 Å²	55.7	14%	0.14	32%	0.319	C	S	.	.			trans	-81.6	-31.3	-179.2	-57.8	-60.7	-10.9	0	0	113.4	R830 T901 L903 E905 V908 S1001	R830-Q910 WeakPolarHBondContact CD-O 3.47Å; R830-Q910 PolarHBondContact NE-O 3.46Å; R830-Q910 PolarHBondContact NH1-O 3.03Å; T901-Q910 HydrophobicContact CG2-CB 4.37Å; T901-Q910 VanDerWaalsContact OG1-CB 3.25Å; T901-Q910 WeakPolarHBondContact OG1-CB 3.44Å; L903-Q910 PolarHBondContact O-N 3.36Å; E905-Q910 HydrophobicContact CB-CG 3.91Å; E905-Q910 HydrophobicContact CG-CG 3.85Å; V908-Q910 PolarHBondContact O-N 3.05Å; Q910-S1001 PolarHBondContact O-OG 3.09Å; Q910-S1001 PolarHBondContact OE1-OG 2.87Å
911	C	96.6	Very high	93.1	Very high	5 Å²	5	59 Å²	59	3%	0.034	34%	0.337	C	S	.	.	S	Bend	trans	-143.8	144	178.8	-168.6	0	0	0	0	110.3	M899 T901 L903 H999	M899-C911 HydrophobicContact CE-CB 3.84Å; T901-C911 HydrophobicContact CG2-CB 4.13Å; L903-C911 HydrophobicContact CD2-CB 4.34Å; L903-C911 PolarHBondContact O-N 3.03Å; L903-C911 VanDerWaalsContact O-N 3.13Å; C911-H999 PolarHBondContact SG-NE2 2.92Å
912	H	97.2	Very high	93.2	Very high	78 Å²	78	64 Å²	64	36%	0.361	36%	0.362	S	S	.	.			trans	-79	150.4	168.7	-164.9	-92.3	0	0	0	110.3	P877 Y914	P877-H912 WeakPolarHBondContact O-CB 3.37Å; P877-H912 PolarHBondContact O-N 3.44Å; H912-Y914 WeakPolarHBondContact O-CD1 3.21Å; H912-Y914 PolarHBondContact O-N 3.48Å
913	H	96.7	Very high	93.3	Very high	53 Å²	53	64.5 Å²	64.5	25%	0.245	36%	0.362	C	S	.	.			trans	-67.6	114.9	170.1	-154.8	-124.5	0	0	0	109	L903 W915 D917	L903-H913 HydrophobicContact CD2-CB 4.42Å; H913-W915 AromaticContact CD2-CE2 3.45Å; H913-W915 VanDerWaalsContact CD2-CE2 3.45Å; H913-W915 AromaticContact CD2-CH2 3.85Å; H913-W915 AromaticContact CD2-CZ2 3.3Å; H913-W915 WeakPolarHBondContact CD2-CZ2 3.44Å; H913-W915 AromaticContact CD2-NE1 3.81Å; H913-W915 AromaticContact CE1-CD1 3.96Å; H913-W915 AromaticContact CE1-CE2 3.99Å; H913-W915 AromaticContact CE1-NE1 3.57Å; H913-W915 PolarHBondContact CE1-O 2.73Å; H913-W915 PolarHBondContact ND1-O 3.05Å; H913-W915 VanDerWaalsContact ND1-O 3.11Å; H913-W915 AromaticContact NE2-CD1 3.77Å; H913-W915 AromaticContact NE2-CD2 3.96Å; H913-W915 AromaticContact NE2-CE2 3.1Å; H913-W915 AromaticContact NE2-CZ2 3.29Å; H913-W915 VanDerWaalsContact NE2-CZ2 3.29Å; H913-W915 WeakPolarHBondContact NE2-CZ2 3.42Å; H913-W915 AromaticContact NE2-NE1 2.97Å; H913-W915 PolarHBondContact NE2-NE1 3.45Å; H913-D917 VanDerWaalsContact CE1-CG 3.47Å; H913-D917 IonicContact CE1-OD1 3.78Å; H913-D917 PolarHBondContact CE1-OD1 2.86Å; H913-D917 IonicContact CE1-OD2 3.87Å; H913-D917 PolarHBondContact CE1-OD2 3.28Å; H913-D917 IonicContact ND1-OD2 3.08Å; H913-D917 IonicContact NE2-OD1 3.31Å
914	Y	97.8	Very high	93.3	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	37%	0.366	C	S	.	.			trans	-117.3	11.9	-174.2	67.8	-101.4	0	0	0	113.3	P877 F885 W886 I897 M899 H912 Y923 Q960 H999	P877-Y914 HydrophobicContact CB-CD1 4.33Å; P877-Y914 HydrophobicContact CG-CD1 3.75Å; P877-Y914 HydrophobicContact CG-CE1 4.22Å; P877-Y914 HydrophobicContact CG-CG 4.1Å; F885-Y914 HydrophobicContact CD1-CD2 4.05Å; F885-Y914 HydrophobicContact CD1-CE2 4.24Å; F885-Y914 AromaticContact CE1-CD2 3.78Å; F885-Y914 HydrophobicContact CE1-CD2 3.78Å; F885-Y914 AromaticContact CE1-CE2 3.49Å; F885-Y914 HydrophobicContact CE1-CE2 3.49Å; F885-Y914 VanDerWaalsContact CE1-CE2 3.49Å; F885-Y914 HydrophobicContact CE1-CG 4.49Å; F885-Y914 AromaticContact CE1-CZ 3.94Å; F885-Y914 HydrophobicContact CZ-CE2 4.15Å; W886-Y914 AromaticContact CZ2-CD2 3.84Å; W886-Y914 HydrophobicContact CZ2-CD2 3.84Å; W886-Y914 HydrophobicContact CZ2-CE2 4.18Å; W886-Y914 WeakPolarHBondContact CZ2-O 3.38Å; W886-Y914 PolarHBondContact NE1-O 3.39Å; I897-Y914 WeakPolarHBondContact CG2-OH 3.29Å; M899-Y914 HydrophobicContact SD-CE1 3.94Å; H912-Y914 WeakPolarHBondContact O-CD1 3.21Å; H912-Y914 PolarHBondContact O-N 3.48Å; Y914-Y923 VanDerWaalsContact O-CE2 3.24Å; Y914-Y923 WeakPolarHBondContact O-CE2 3.49Å; Y914-Y923 PolarHBondContact O-OH 2.98Å; Y914-Q960 VanDerWaalsContact CZ-NE2 3.34Å; Y914-Q960 PolarHBondContact OH-NE2 3.19Å; Y914-H999 AromaticContact CE1-NE2 3.48Å; Y914-H999 WeakPolarHBondContact CE1-NE2 3.44Å
915	W	97.9	Very high	93.4	Very high	3 Å²	3	63.3 Å²	63.3	1%	0.011	35%	0.348	C	S	.	.	S	Bend	trans	-138.2	157.4	-179.2	64.7	82	0	0	0	110.2	M899 L903 H913 Y923 F945 Q960	M899-W915 HydrophobicContact CE-CH2 3.76Å; M899-W915 HydrophobicContact CE-CZ3 3.91Å; M899-W915 HydrophobicContact SD-CH2 3.79Å; M899-W915 HydrophobicContact SD-CZ3 3.56Å; M899-W915 VanDerWaalsContact SD-CZ3 3.56Å; L903-W915 HydrophobicContact CD2-CH2 3.75Å; L903-W915 HydrophobicContact CD2-CZ2 4.46Å; L903-W915 HydrophobicContact CD2-CZ3 4.35Å; L903-W915 HydrophobicContact CG-CH2 4.39Å; H913-W915 AromaticContact CD2-CE2 3.45Å; H913-W915 VanDerWaalsContact CD2-CE2 3.45Å; H913-W915 AromaticContact CD2-CH2 3.85Å; H913-W915 AromaticContact CD2-CZ2 3.3Å; H913-W915 WeakPolarHBondContact CD2-CZ2 3.44Å; H913-W915 AromaticContact CD2-NE1 3.81Å; H913-W915 AromaticContact CE1-CD1 3.96Å; H913-W915 AromaticContact CE1-CE2 3.99Å; H913-W915 AromaticContact CE1-NE1 3.57Å; H913-W915 PolarHBondContact CE1-O 2.73Å; H913-W915 PolarHBondContact ND1-O 3.05Å; H913-W915 VanDerWaalsContact ND1-O 3.11Å; H913-W915 AromaticContact NE2-CD1 3.77Å; H913-W915 AromaticContact NE2-CD2 3.96Å; H913-W915 AromaticContact NE2-CE2 3.1Å; H913-W915 AromaticContact NE2-CZ2 3.29Å; H913-W915 VanDerWaalsContact NE2-CZ2 3.29Å; H913-W915 WeakPolarHBondContact NE2-CZ2 3.42Å; H913-W915 AromaticContact NE2-NE1 2.97Å; H913-W915 PolarHBondContact NE2-NE1 3.45Å; W915-Y923 WeakPolarHBondContact CA-OH 3.5Å; W915-Y923 PolarHBondContact N-OH 2.78Å; W915-F945 HydrophobicContact CB-CE1 3.67Å; W915-F945 HydrophobicContact CB-CE2 4.26Å; W915-F945 HydrophobicContact CB-CZ 3.4Å; W915-F945 HydrophobicContact CG-CE1 4.2Å; W915-F945 AromaticContact CG-CZ 3.69Å; W915-F945 HydrophobicContact CG-CZ 3.69Å; W915-Q960 VanDerWaalsContact CE3-NE2 3.26Å
916	P	96.6	Very high	93.8	Very high	4 Å²	4	63.2 Å²	63.2	3%	0.026	35%	0.347	C	S	.	.			trans	-75	142.1	176.2	30.7	-36.6	0	0	0	111.9	G919 D921 V928 L930	P916-G919 WeakPolarHBondContact CG-O 3.41Å; P916-D921 HydrophobicContact CB-CB 4.04Å; P916-D921 HydrophobicContact CG-CB 4.42Å; P916-V928 HydrophobicContact CG-CG1 4.44Å; P916-V928 WeakPolarHBondContact CG-O 3.5Å; P916-L930 HydrophobicContact CG-CB 4.23Å
917	D	91.1	Very high	94.4	Very high	116 Å²	116	59.5 Å²	59.5	62%	0.62	33%	0.325	S	S	*	.	S	Bend	trans	-70.4	-40	172.1	-71.1	-60.9	0	0	0	112.5	H913 L930	H913-D917 VanDerWaalsContact CE1-CG 3.47Å; H913-D917 IonicContact CE1-OD1 3.78Å; H913-D917 PolarHBondContact CE1-OD1 2.86Å; H913-D917 IonicContact CE1-OD2 3.87Å; H913-D917 PolarHBondContact CE1-OD2 3.28Å; H913-D917 IonicContact ND1-OD2 3.08Å; H913-D917 IonicContact NE2-OD1 3.31Å; D917-L930 VanDerWaalsContact O-CD2 3.25Å; D917-L930 WeakPolarHBondContact O-CD2 3.38Å
918	E	89.5	Confident	95.2	Very high	179 Å²	179	56 Å²	56	84%	0.836	29%	0.29	S	S	*	.	S	Bend	trans	-142.5	139.8	176.3	-67.6	-172.7	-175.4	0	0	109.9	S920	E918-S920 PolarHBondContact O-N 3.02Å
919	G	93.4	Very high	95.6	Very high	39 Å²	39	54.6 Å²	54.6	40%	0.402	28%	0.279	S	S	.	.	S	Bend	trans	65.4	-132.9	179.4	0	0	0	0	0	112.7	P916 N929 L930	P916-G919 WeakPolarHBondContact CG-O 3.41Å; G919-N929 VanDerWaalsContact C-OD1 3.31Å; G919-N929 CarbonylContact O-C 3.52Å; G919-N929 WeakPolarHBondContact O-CA 3.44Å; G919-N929 PolarHBondContact O-OD1 3.35Å; G919-N929 VanDerWaalsContact O-OD1 3.07Å; G919-L930 PolarHBondContact O-N 3.34Å
920	S	95.7	Very high	95.8	Very high	62 Å²	62	48 Å²	48	43%	0.434	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	129	-166.6	61.4	0	0	0	0	115.2	E918 V928	E918-S920 PolarHBondContact O-N 3.02Å; S920-V928 CarbonylContact C-O 3.54Å; S920-V928 WeakPolarHBondContact CA-O 2.95Å
921	D	97.4	Very high	95.9	Very high	70 Å²	70	51 Å²	51	37%	0.374	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	160.5	168.5	-89.1	-12.2	0	0	0	111	P916 Y923 E927 V928	P916-D921 HydrophobicContact CB-CB 4.04Å; P916-D921 HydrophobicContact CG-CB 4.42Å; D921-Y923 HydrophobicContact CB-CE1 3.77Å; D921-Y923 HydrophobicContact CB-CE2 3.96Å; D921-Y923 VanDerWaalsContact CB-OH 3.23Å; D921-Y923 WeakPolarHBondContact CB-OH 3.42Å; D921-Y923 PolarHBondContact OD2-OH 3.5Å; D921-E927 WeakPolarHBondContact O-CA 3.32Å; D921-V928 PolarHBondContact N-O 3.17Å; D921-V928 PolarHBondContact O-N 3.37Å
922	I	96.8	Very high	95.8	Very high	103 Å²	103	53.1 Å²	53.1	53%	0.528	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	115.8	174.2	-57.8	174.6	0	0	0	109.9	Y926 E927 L950	I922-Y926 WeakPolarHBondContact CA-O 3.27Å; I922-E927 HydrophobicContact CG1-CB 4.34Å; I922-E927 HydrophobicContact CG1-CG 4.46Å; I922-L950 HydrophobicContact CD1-CD1 4.19Å; I922-L950 HydrophobicContact CG2-CD1 3.77Å
923	Y	95.3	Very high	95.7	Very high	31 Å²	31	53.3 Å²	53.3	12%	0.122	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	100.1	175.7	-48.8	-59.2	0	0	0	109.1	V882 W886 Y914 W915 D921 I925 Y926 V928	V882-Y923 HydrophobicContact CG1-CD1 3.61Å; V882-Y923 HydrophobicContact CG1-CD2 4.31Å; V882-Y923 HydrophobicContact CG1-CE1 3.96Å; V882-Y923 HydrophobicContact CG1-CG 3.8Å; W886-Y923 AromaticContact CD1-CD2 3.19Å; W886-Y923 AromaticContact CD1-CE2 3.87Å; W886-Y923 AromaticContact CD1-CG 3.73Å; W886-Y923 HydrophobicContact CD2-CD2 4.44Å; W886-Y923 AromaticContact CG-CD2 3.98Å; W886-Y923 HydrophobicContact CG-CD2 3.98Å; W886-Y923 AromaticContact NE1-CD2 3.2Å; W886-Y923 AromaticContact NE1-CE2 3.35Å; Y914-Y923 VanDerWaalsContact O-CE2 3.24Å; Y914-Y923 WeakPolarHBondContact O-CE2 3.49Å; Y914-Y923 PolarHBondContact O-OH 2.98Å; W915-Y923 WeakPolarHBondContact CA-OH 3.5Å; W915-Y923 PolarHBondContact N-OH 2.78Å; D921-Y923 HydrophobicContact CB-CE1 3.77Å; D921-Y923 HydrophobicContact CB-CE2 3.96Å; D921-Y923 VanDerWaalsContact CB-OH 3.23Å; D921-Y923 WeakPolarHBondContact CB-OH 3.42Å; D921-Y923 PolarHBondContact OD2-OH 3.5Å; Y923-I925 PolarHBondContact O-N 3.06Å; Y923-Y926 PolarHBondContact N-O 2.95Å; Y923-Y926 WeakPolarHBondContact O-CB 3.36Å; Y923-Y926 WeakPolarHBondContact O-CD2 3.49Å; Y923-Y926 PolarHBondContact O-N 3.25Å; Y923-V928 HydrophobicContact CD2-CB 4.22Å; Y923-V928 HydrophobicContact CD2-CG2 3.72Å; Y923-V928 HydrophobicContact CE2-CB 3.92Å; Y923-V928 HydrophobicContact CE2-CG1 4.49Å; Y923-V928 HydrophobicContact CE2-CG2 3.87Å
924	H	94	Very high	95.5	Very high	85 Å²	85	55.4 Å²	55.4	39%	0.394	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.3	-98.6	-169.2	-174.9	44.6	0	0	0	113.4	N848 H850 A883	N848-H924 PolarHBondContact O-CD2 3.07Å; N848-H924 PolarHBondContact O-NE2 3.35Å; H850-H924 HydrophobicContact CB-CB 4.4Å; A883-H924 HydrophobicContact CB-CB 3.95Å
925	I	94.2	Very high	95.1	Very high	16 Å²	16	59.1 Å²	59.1	8%	0.082	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	4.9	177.9	61.6	171.5	0	0	0	112.9	Y923 L950 Q951	Y923-I925 PolarHBondContact O-N 3.06Å; I925-L950 WeakPolarHBondContact O-CB 3.47Å; I925-L950 WeakPolarHBondContact O-CG 3.44Å; I925-L950 PolarHBondContact O-N 3.04Å; I925-Q951 HydrophobicContact CB-CG 4.31Å; I925-Q951 HydrophobicContact CD1-CG 4.09Å; I925-Q951 HydrophobicContact CG2-CG 4.05Å
926	Y	96.9	Very high	94.5	Very high	1 Å²	1	65 Å²	65	0%	0.004	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	105.6	-175.6	-56.8	-66.4	0	0	0	110.1	W886 Q887 W890 I922 Y923 L947 N949	W886-Y926 HydrophobicContact CB-CD2 4.03Å; W886-Y926 HydrophobicContact CB-CG 4.23Å; Q887-Y926 HydrophobicContact CB-CE2 3.79Å; Q887-Y926 HydrophobicContact CG-CE2 4.35Å; W890-Y926 HydrophobicContact CB-CD1 4.15Å; W890-Y926 HydrophobicContact CB-CE1 3.54Å; W890-Y926 AromaticContact CD1-CE1 3.85Å; W890-Y926 HydrophobicContact CD2-CD1 4.39Å; W890-Y926 AromaticContact CD2-CE1 3.98Å; W890-Y926 HydrophobicContact CD2-CE1 3.98Å; W890-Y926 HydrophobicContact CG-CD1 4.2Å; W890-Y926 AromaticContact CG-CE1 3.46Å; W890-Y926 HydrophobicContact CG-CE1 3.46Å; W890-Y926 VanDerWaalsContact CG-CE1 3.46Å; I922-Y926 WeakPolarHBondContact CA-O 3.27Å; Y923-Y926 PolarHBondContact N-O 2.95Å; Y923-Y926 WeakPolarHBondContact O-CB 3.36Å; Y923-Y926 WeakPolarHBondContact O-CD2 3.49Å; Y923-Y926 PolarHBondContact O-N 3.25Å; Y926-L947 HydrophobicContact CD1-CD1 4.33Å; Y926-L947 HydrophobicContact CG-CD1 4.48Å; Y926-N949 HydrophobicContact CE1-CB 4.5Å
927	E	97.6	Very high	94	Very high	48 Å²	48	67 Å²	67	22%	0.224	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	117.8	169.8	178	-176.7	-157.4	0	0	108.2	D921 I922 L947 K948 L950	D921-E927 WeakPolarHBondContact O-CA 3.32Å; I922-E927 HydrophobicContact CG1-CB 4.34Å; I922-E927 HydrophobicContact CG1-CG 4.46Å; E927-L947 CarbonylContact O-C 3.56Å; E927-L947 WeakPolarHBondContact O-CA 3.17Å; E927-K948 HydrophobicContact CB-CB 4.24Å; E927-K948 PolarHBondContact N-O 3.03Å; E927-K948 PolarHBondContact O-N 2.04Å; E927-K948 VanDerWaalsContact OE2-CD 3.29Å; E927-K948 WeakPolarHBondContact OE2-CD 3.42Å; E927-K948 WeakPolarHBondContact OE2-CE 3.34Å; E927-K948 IonicContact OE2-NZ 3.38Å; E927-K948 PolarHBondContact OE2-NZ 3.3Å; E927-L950 HydrophobicContact CB-CD1 4.4Å; E927-L950 HydrophobicContact CB-CD2 3.98Å; E927-L950 HydrophobicContact CB-CG 4.17Å; E927-L950 WeakPolarHBondContact OE2-CD2 3.45Å
928	V	98.3	Very high	93.7	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	118.1	179.8	177.4	0	0	0	0	107.5	W886 P916 S920 D921 Y923 F945 L947	W886-V928 HydrophobicContact CD2-CG2 3.75Å; W886-V928 HydrophobicContact CE3-CG2 3.92Å; W886-V928 HydrophobicContact CG-CG2 4.31Å; W886-V928 HydrophobicContact CH2-CG1 3.85Å; W886-V928 HydrophobicContact CH2-CG2 4.06Å; W886-V928 HydrophobicContact CZ2-CB 4.47Å; W886-V928 HydrophobicContact CZ2-CG1 3.82Å; W886-V928 HydrophobicContact CZ2-CG2 3.9Å; W886-V928 HydrophobicContact CZ3-CG2 4.07Å; P916-V928 HydrophobicContact CG-CG1 4.44Å; P916-V928 WeakPolarHBondContact CG-O 3.5Å; S920-V928 CarbonylContact C-O 3.54Å; S920-V928 WeakPolarHBondContact CA-O 2.95Å; D921-V928 PolarHBondContact N-O 3.17Å; D921-V928 PolarHBondContact O-N 3.37Å; Y923-V928 HydrophobicContact CD2-CB 4.22Å; Y923-V928 HydrophobicContact CD2-CG2 3.72Å; Y923-V928 HydrophobicContact CE2-CB 3.92Å; Y923-V928 HydrophobicContact CE2-CG1 4.49Å; Y923-V928 HydrophobicContact CE2-CG2 3.87Å; V928-F945 HydrophobicContact CG1-CB 4.19Å; V928-F945 HydrophobicContact CG1-CD1 3.79Å; V928-F945 HydrophobicContact CG1-CE1 4.42Å; V928-F945 HydrophobicContact CG1-CG 4.07Å; V928-L947 HydrophobicContact CG2-CD1 3.84Å
929	N	97.7	Very high	93.6	Very high	57 Å²	57	62.6 Å²	62.6	31%	0.305	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	125.4	179.9	-179.8	21.3	0	0	0	110.7	G919 V931 F945 Y946	G919-N929 VanDerWaalsContact C-OD1 3.31Å; G919-N929 CarbonylContact O-C 3.52Å; G919-N929 WeakPolarHBondContact O-CA 3.44Å; G919-N929 PolarHBondContact O-OD1 3.35Å; G919-N929 VanDerWaalsContact O-OD1 3.07Å; N929-V931 PolarHBondContact O-N 3.04Å; N929-F945 CarbonylContact O-C 3.48Å; N929-F945 WeakPolarHBondContact O-CA 3.43Å; N929-Y946 PolarHBondContact N-O 3.21Å; N929-Y946 PolarHBondContact O-N 3.32Å
930	L	97.4	Very high	93.5	Very high	28 Å²	28	61 Å²	61	15%	0.147	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	109.5	174.7	178.7	64	0	0	0	110	P916 D917 G919 R943 F945	P916-L930 HydrophobicContact CG-CB 4.23Å; D917-L930 VanDerWaalsContact O-CD2 3.25Å; D917-L930 WeakPolarHBondContact O-CD2 3.38Å; G919-L930 PolarHBondContact O-N 3.34Å; L930-R943 HydrophobicContact CD1-CB 3.94Å; L930-R943 HydrophobicContact CD1-CG 4.19Å; L930-F945 HydrophobicContact CB-CD1 4.32Å; L930-F945 HydrophobicContact CB-CE1 4.2Å; L930-F945 HydrophobicContact CD1-CD1 4.08Å; L930-F945 HydrophobicContact CD1-CE1 3.67Å; L930-F945 HydrophobicContact CD1-CZ 4.38Å
931	V	96.1	Very high	93.5	Very high	94 Å²	94	58.6 Å²	58.6	57%	0.57	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.4	-35.4	179.7	-176.3	0	0	0	0	111.5	N929 S944	N929-V931 PolarHBondContact O-N 3.04Å; V931-S944 WeakPolarHBondContact CB-O 3.31Å; V931-S944 PolarHBondContact N-O 3.22Å
932	S	94.4	Very high	93.5	Very high	49 Å²	49	56 Å²	56	34%	0.343	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	139.2	178.8	65.4	0	0	0	0	111.7	R943 S944	S932-R943 CarbonylContact O-C 3.58Å; S932-R943 VanDerWaalsContact O-CA 3.31Å; S932-R943 WeakPolarHBondContact O-CA 3.49Å; S932-S944 PolarHBondContact N-O 2.84Å; S932-S944 PolarHBondContact O-N 3.38Å; S932-S944 VanDerWaalsContact OG-CB 3.24Å; S932-S944 WeakPolarHBondContact OG-CB 3.37Å; S932-S944 PolarHBondContact OG-OG 2.9Å
933	E	95.1	Very high	93.5	Very high	82 Å²	82	52 Å²	52	38%	0.383	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	136.8	157.9	-177.8	176.9	91.6	0	0	109.1	L941 R943	E933-L941 HydrophobicContact CG-CD1 4.34Å; E933-R943 HydrophobicContact CB-CG 4.27Å; E933-R943 HydrophobicContact CG-CG 4.09Å; E933-R943 IonicContact OE2-CZ 3.33Å; E933-R943 IonicContact OE2-NE 2.64Å; E933-R943 PolarHBondContact OE2-NE 3.04Å; E933-R943 IonicContact OE2-NH2 3.71Å; E933-R943 PolarHBondContact OE2-NH2 3.33Å
934	H	91.8	Very high	93.5	Very high	97 Å²	97	52.5 Å²	52.5	45%	0.449	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	107.7	176.3	-175.5	-121.5	0	0	0	110.3	W936 L941 V942	H934-W936 AromaticContact CE1-CD2 3.62Å; H934-W936 AromaticContact CE1-CE2 3.57Å; H934-W936 AromaticContact CE1-CE3 3.83Å; H934-W936 AromaticContact CE1-CZ2 3.82Å; H934-W936 AromaticContact CE1-NE1 3.99Å; H934-W936 AromaticContact ND1-CD1 3.65Å; H934-W936 AromaticContact ND1-CD2 3.63Å; H934-W936 AromaticContact ND1-CE2 3.25Å; H934-W936 AromaticContact ND1-CG 3.94Å; H934-W936 AromaticContact ND1-CZ2 3.69Å; H934-W936 AromaticContact ND1-NE1 3.23Å; H934-W936 PolarHBondContact ND1-NE1 3.22Å; H934-L941 WeakPolarHBondContact O-CA 3.49Å; H934-V942 PolarHBondContact N-O 3.1Å; H934-V942 PolarHBondContact O-N 2.92Å
935	I	90.8	Very high	93.7	Very high	78 Å²	78	48.5 Å²	48.5	40%	0.4	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	121.7	174.3	-56.3	171	0	0	0	107.7	C937 L941	I935-C937 WeakPolarHBondContact CG2-O 3.32Å; I935-L941 HydrophobicContact CB-CB 4.44Å; I935-L941 HydrophobicContact CG1-CB 4.11Å; I935-L941 HydrophobicContact CG1-CD2 4.48Å
936	W	83.8	Confident	93.8	Very high	126 Å²	126	52.2 Å²	52.2	48%	0.477	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	-35	-177	-78.9	93.6	0	0	0	113	H934 F940 K984	H934-W936 AromaticContact CE1-CD2 3.62Å; H934-W936 AromaticContact CE1-CE2 3.57Å; H934-W936 AromaticContact CE1-CE3 3.83Å; H934-W936 AromaticContact CE1-CZ2 3.82Å; H934-W936 AromaticContact CE1-NE1 3.99Å; H934-W936 AromaticContact ND1-CD1 3.65Å; H934-W936 AromaticContact ND1-CD2 3.63Å; H934-W936 AromaticContact ND1-CE2 3.25Å; H934-W936 AromaticContact ND1-CG 3.94Å; H934-W936 AromaticContact ND1-CZ2 3.69Å; H934-W936 AromaticContact ND1-NE1 3.23Å; H934-W936 PolarHBondContact ND1-NE1 3.22Å; W936-F940 HydrophobicContact CB-CD2 3.92Å; W936-F940 HydrophobicContact CB-CE2 3.42Å; W936-F940 VanDerWaalsContact CB-CE2 3.42Å; W936-F940 HydrophobicContact CB-CZ 4.04Å; W936-F940 AromaticContact CD1-CE2 3.92Å; W936-F940 HydrophobicContact CG-CD2 4.34Å; W936-F940 AromaticContact CG-CE2 3.74Å; W936-F940 HydrophobicContact CG-CE2 3.74Å; W936-F940 PolarHBondContact N-O 3.41Å; W936-F940 VanDerWaalsContact N-O 3.13Å; W936-K984 HydrophobicContact CD2-CD 4.2Å; W936-K984 HydrophobicContact CG-CD 4.4Å
937	C	85.7	Confident	93.9	Very high	46 Å²	46	52.2 Å²	52.2	31%	0.311	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	-178.9	171.6	58	0	0	0	0	108.5	I935 D939 F940	I935-C937 WeakPolarHBondContact CG2-O 3.32Å; C937-D939 PolarHBondContact O-N 2.86Å; C937-D939 PolarHBondContact SG-OD2 3.03Å; C937-F940 VanDerWaalsContact SG-CE1 3.58Å
938	E	84.9	Confident	93.8	Very high	155 Å²	155	52.1 Å²	52.1	72%	0.724	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-23.4	176.1	-62	-172.3	139.7	0	0	112	R74	R74-E938 IonicContact NH1-OE1 2.83Å; R74-E938 PolarHBondContact NH1-OE1 3.08Å
939	D	88.1	Confident	93.7	Very high	47 Å²	47	52.4 Å²	52.4	25%	0.251	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-28.9	-178.8	-53.2	-86.7	0	0	0	115.7	C937 L964 S965 T977	C937-D939 PolarHBondContact O-N 2.86Å; C937-D939 PolarHBondContact SG-OD2 3.03Å; D939-L964 WeakPolarHBondContact O-CB 3.3Å; D939-L964 PolarHBondContact O-N 3.19Å; D939-S965 VanDerWaalsContact CB-OG 3.3Å; D939-S965 WeakPolarHBondContact CB-OG 3.31Å; D939-S965 WeakPolarHBondContact OD1-CB 3.34Å; D939-S965 PolarHBondContact OD1-OG 3.45Å; D939-T977 HydrophobicContact CB-CG2 3.34Å
940	F	92.6	Very high	93.6	Very high	6 Å²	6	52.6 Å²	52.6	3%	0.026	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	153.5	-177.3	66.8	-97.7	0	0	0	115.2	W936 C937 H962 F963 F981 K984	W936-F940 HydrophobicContact CB-CD2 3.92Å; W936-F940 HydrophobicContact CB-CE2 3.42Å; W936-F940 VanDerWaalsContact CB-CE2 3.42Å; W936-F940 HydrophobicContact CB-CZ 4.04Å; W936-F940 AromaticContact CD1-CE2 3.92Å; W936-F940 HydrophobicContact CG-CD2 4.34Å; W936-F940 AromaticContact CG-CE2 3.74Å; W936-F940 HydrophobicContact CG-CE2 3.74Å; W936-F940 PolarHBondContact N-O 3.41Å; W936-F940 VanDerWaalsContact N-O 3.13Å; C937-F940 VanDerWaalsContact SG-CE1 3.58Å; F940-H962 VanDerWaalsContact CA-O 3.22Å; F940-H962 WeakPolarHBondContact CA-O 3.36Å; F940-H962 WeakPolarHBondContact CB-O 3.19Å; F940-F963 HydrophobicContact CB-CD2 4.2Å; F940-F963 HydrophobicContact CD1-CD2 4.32Å; F940-F963 HydrophobicContact CD1-CE2 4.33Å; F940-F981 HydrophobicContact CB-CD2 3.81Å; F940-F981 HydrophobicContact CB-CE2 4.1Å; F940-F981 HydrophobicContact CD1-CB 4.03Å; F940-F981 AromaticContact CD1-CD2 3.98Å; F940-F981 HydrophobicContact CD1-CD2 3.98Å; F940-F981 HydrophobicContact CD1-CG 4.48Å; F940-F981 AromaticContact CD2-CD2 3.85Å; F940-F981 HydrophobicContact CD2-CD2 3.85Å; F940-F981 HydrophobicContact CE1-CB 3.98Å; F940-F981 HydrophobicContact CE2-CD2 4.41Å; F940-F981 AromaticContact CG-CD2 3.62Å; F940-F981 HydrophobicContact CG-CD2 3.62Å; F940-F981 HydrophobicContact CG-CE2 4.35Å; F940-F981 HydrophobicContact CZ-CB 4.44Å; F940-K984 HydrophobicContact CE2-CD 3.44Å; F940-K984 VanDerWaalsContact CE2-CD 3.44Å; F940-K984 HydrophobicContact CZ-CD 3.59Å; F940-K984 VanDerWaalsContact CZ-CE 3.48Å
941	L	95	Very high	93.4	Very high	12 Å²	12	56.7 Å²	56.7	6%	0.063	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	164.9	174.2	63	81.3	0	0	0	111.5	E933 H934 I935 R943 H962 L964	E933-L941 HydrophobicContact CG-CD1 4.34Å; H934-L941 WeakPolarHBondContact O-CA 3.49Å; I935-L941 HydrophobicContact CB-CB 4.44Å; I935-L941 HydrophobicContact CG1-CB 4.11Å; I935-L941 HydrophobicContact CG1-CD2 4.48Å; L941-R943 HydrophobicContact CD1-CG 3.82Å; L941-H962 HydrophobicContact CD1-CB 3.75Å; L941-H962 HydrophobicContact CG-CB 4.17Å; L941-H962 PolarHBondContact N-O 3.02Å; L941-H962 PolarHBondContact O-N 2.92Å; L941-L964 HydrophobicContact CD2-CD1 4.25Å
942	V	96.4	Very high	93.3	Very high	15 Å²	15	55.8 Å²	55.8	9%	0.091	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	130.9	176.3	179	0	0	0	0	109.6	H934 T959 Q960 F961	H934-V942 PolarHBondContact N-O 3.1Å; H934-V942 PolarHBondContact O-N 2.92Å; V942-T959 HydrophobicContact CG1-CG2 3.47Å; V942-T959 VanDerWaalsContact CG1-CG2 3.47Å; V942-Q960 CarbonylContact C-O 3.45Å; V942-Q960 WeakPolarHBondContact CA-O 3.33Å; V942-F961 HydrophobicContact CG1-CD1 4.36Å; V942-F961 HydrophobicContact CG1-CE1 4.16Å; V942-F961 HydrophobicContact CG1-CZ 4.27Å; V942-F961 HydrophobicContact CG2-CD1 3.43Å; V942-F961 VanDerWaalsContact CG2-CD1 3.43Å; V942-F961 HydrophobicContact CG2-CE1 3.61Å; V942-F961 HydrophobicContact CG2-CG 4.18Å; V942-F961 HydrophobicContact CG2-CZ 4.5Å
943	R	96.8	Very high	93.3	Very high	19 Å²	19	58.4 Å²	58.4	7%	0.072	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	141.1	174	-59.8	-173.5	-177.8	115.1	-7.2	111.2	L930 S932 E933 L941 F945 T959 Q960 H962	L930-R943 HydrophobicContact CD1-CB 3.94Å; L930-R943 HydrophobicContact CD1-CG 4.19Å; S932-R943 CarbonylContact O-C 3.58Å; S932-R943 VanDerWaalsContact O-CA 3.31Å; S932-R943 WeakPolarHBondContact O-CA 3.49Å; E933-R943 HydrophobicContact CB-CG 4.27Å; E933-R943 HydrophobicContact CG-CG 4.09Å; E933-R943 IonicContact OE2-CZ 3.33Å; E933-R943 IonicContact OE2-NE 2.64Å; E933-R943 PolarHBondContact OE2-NE 3.04Å; E933-R943 IonicContact OE2-NH2 3.71Å; E933-R943 PolarHBondContact OE2-NH2 3.33Å; L941-R943 HydrophobicContact CD1-CG 3.82Å; R943-F945 HydrophobicContact CB-CE1 4.38Å; R943-F945 HydrophobicContact CB-CE2 3.92Å; R943-F945 HydrophobicContact CB-CZ 3.8Å; R943-F945 HydrophobicContact CG-CZ 4.41Å; R943-T959 CarbonylContact O-C 3.55Å; R943-T959 WeakPolarHBondContact O-CA 3.34Å; R943-Q960 HydrophobicContact CB-CB 4.35Å; R943-Q960 PolarHBondContact N-O 3.01Å; R943-Q960 PolarHBondContact O-N 3.07Å; R943-H962 PolarHBondContact NH1-ND1 3.06Å
944	S	96.3	Very high	93.3	Very high	41 Å²	41	59.3 Å²	59.3	29%	0.287	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	118.4	171.8	-49.6	0	0	0	0	108.7	V931 S932	V931-S944 WeakPolarHBondContact CB-O 3.31Å; V931-S944 PolarHBondContact N-O 3.22Å; S932-S944 PolarHBondContact N-O 2.84Å; S932-S944 PolarHBondContact O-N 3.38Å; S932-S944 VanDerWaalsContact OG-CB 3.24Å; S932-S944 WeakPolarHBondContact OG-CB 3.37Å; S932-S944 PolarHBondContact OG-OG 2.9Å
945	F	97.8	Very high	93.4	Very high	1 Å²	1	57.3 Å²	57.3	0%	0.004	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	140.9	176	-60.8	-66.2	0	0	0	111.2	W886 W915 V928 N929 L930 R943 T957 V958 Q960	W886-F945 HydrophobicContact CH2-CD2 4.18Å; W886-F945 HydrophobicContact CH2-CG 4.48Å; W915-F945 HydrophobicContact CB-CE1 3.67Å; W915-F945 HydrophobicContact CB-CE2 4.26Å; W915-F945 HydrophobicContact CB-CZ 3.4Å; W915-F945 HydrophobicContact CG-CE1 4.2Å; W915-F945 AromaticContact CG-CZ 3.69Å; W915-F945 HydrophobicContact CG-CZ 3.69Å; V928-F945 HydrophobicContact CG1-CB 4.19Å; V928-F945 HydrophobicContact CG1-CD1 3.79Å; V928-F945 HydrophobicContact CG1-CE1 4.42Å; V928-F945 HydrophobicContact CG1-CG 4.07Å; N929-F945 CarbonylContact O-C 3.48Å; N929-F945 WeakPolarHBondContact O-CA 3.43Å; L930-F945 HydrophobicContact CB-CD1 4.32Å; L930-F945 HydrophobicContact CB-CE1 4.2Å; L930-F945 HydrophobicContact CD1-CD1 4.08Å; L930-F945 HydrophobicContact CD1-CE1 3.67Å; L930-F945 HydrophobicContact CD1-CZ 4.38Å; R943-F945 HydrophobicContact CB-CE1 4.38Å; R943-F945 HydrophobicContact CB-CE2 3.92Å; R943-F945 HydrophobicContact CB-CZ 3.8Å; R943-F945 HydrophobicContact CG-CZ 4.41Å; F945-T957 CarbonylContact O-C 3.57Å; F945-T957 WeakPolarHBondContact O-CA 3.29Å; F945-V958 PolarHBondContact N-O 3.32Å; F945-V958 PolarHBondContact O-N 3.45Å; F945-Q960 HydrophobicContact CD2-CB 4.29Å; F945-Q960 HydrophobicContact CE2-CB 3.67Å
946	Y	97.1	Very high	93.5	Very high	94 Å²	94	57.4 Å²	57.4	37%	0.369	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	110.1	163.6	-175.2	-101.1	0	0	0	108	N929 K948 T955	N929-Y946 PolarHBondContact N-O 3.21Å; N929-Y946 PolarHBondContact O-N 3.32Å; Y946-K948 HydrophobicContact CE1-CB 4.49Å; Y946-T955 HydrophobicContact CE1-CG2 4.05Å; Y946-T955 WeakPolarHBondContact OH-CB 3.33Å; Y946-T955 WeakPolarHBondContact OH-CG2 3.41Å; Y946-T955 PolarHBondContact OH-OG1 3.24Å; Y946-T955 VanDerWaalsContact OH-OG1 3.13Å
947	L	97.4	Very high	94	Very high	1 Å²	1	56 Å²	56	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	119.2	-176	169.9	62.2	0	0	0	108.9	W886 V889 W890 Y926 E927 V928 T955 R956 V958	W886-L947 HydrophobicContact CE3-CD1 4.07Å; W886-L947 HydrophobicContact CE3-CD2 4.11Å; W886-L947 HydrophobicContact CZ3-CD1 4.47Å; W886-L947 HydrophobicContact CZ3-CD2 4.22Å; V889-L947 HydrophobicContact CG1-CD2 3.86Å; W890-L947 HydrophobicContact CE3-CD2 3.8Å; W890-L947 HydrophobicContact CE3-CG 3.81Å; W890-L947 HydrophobicContact CZ3-CD2 4.39Å; W890-L947 HydrophobicContact CZ3-CG 4.06Å; Y926-L947 HydrophobicContact CD1-CD1 4.33Å; Y926-L947 HydrophobicContact CG-CD1 4.48Å; E927-L947 CarbonylContact O-C 3.56Å; E927-L947 WeakPolarHBondContact O-CA 3.17Å; V928-L947 HydrophobicContact CG2-CD1 3.84Å; L947-T955 CarbonylContact O-C 3.52Å; L947-T955 WeakPolarHBondContact O-CA 3.3Å; L947-R956 PolarHBondContact N-O 3.1Å; L947-R956 PolarHBondContact O-N 3.21Å; L947-V958 HydrophobicContact CB-CG2 4.2Å; L947-V958 HydrophobicContact CD2-CG2 3.84Å
948	K	96.9	Very high	94.5	Very high	47 Å²	47	53.8 Å²	53.8	20%	0.204	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	128.5	-179.6	166.5	160.5	158.7	-95	0	110.4	E927 Y946 L950 N953 E954 T955	E927-K948 HydrophobicContact CB-CB 4.24Å; E927-K948 PolarHBondContact N-O 3.03Å; E927-K948 PolarHBondContact O-N 2.04Å; E927-K948 VanDerWaalsContact OE2-CD 3.29Å; E927-K948 WeakPolarHBondContact OE2-CD 3.42Å; E927-K948 WeakPolarHBondContact OE2-CE 3.34Å; E927-K948 IonicContact OE2-NZ 3.38Å; E927-K948 PolarHBondContact OE2-NZ 3.3Å; Y946-K948 HydrophobicContact CE1-CB 4.49Å; K948-L950 HydrophobicContact CG-CD2 4.42Å; K948-N953 WeakPolarHBondContact CE-OD1 3.43Å; K948-E954 WeakPolarHBondContact CA-O 3.36Å; K948-T955 HydrophobicContact CB-CG2 3.84Å; K948-T955 HydrophobicContact CD-CG2 3.86Å; K948-T955 HydrophobicContact CG-CG2 3.89Å
949	N	96.1	Very high	95.1	Very high	5 Å²	5	47.8 Å²	47.8	3%	0.027	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	119.1	170.2	179.7	-42.2	0	0	0	108.6	W890 Y926 Q951 T952 N953 E954	W890-N949 HydrophobicContact CD2-CB 4.23Å; W890-N949 HydrophobicContact CE3-CB 4.4Å; W890-N949 HydrophobicContact CH2-CB 3.78Å; W890-N949 HydrophobicContact CZ2-CB 3.56Å; W890-N949 HydrophobicContact CZ3-CB 4.19Å; W890-N949 PolarHBondContact NE1-ND2 3.22Å; Y926-N949 HydrophobicContact CE1-CB 4.5Å; N949-Q951 VanDerWaalsContact C-N 3.33Å; N949-Q951 PolarHBondContact O-N 2.99Å; N949-Q951 WeakPolarHBondContact OD1-CA 3.45Å; N949-Q951 WeakPolarHBondContact OD1-CB 3.49Å; N949-Q951 PolarHBondContact OD1-N 2.81Å; N949-T952 WeakPolarHBondContact CB-OG1 3.39Å; N949-T952 PolarHBondContact OD1-N 3.09Å; N949-N953 WeakPolarHBondContact O-CA 3.49Å; N949-N953 PolarHBondContact O-N 3.07Å; N949-E954 PolarHBondContact N-O 3.47Å
950	L	95	Very high	95.6	Very high	62 Å²	62	45.5 Å²	45.5	33%	0.325	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-20.2	-175.1	-65.4	175.7	0	0	0	113.8	I922 I925 E927 K948	I922-L950 HydrophobicContact CD1-CD1 4.19Å; I922-L950 HydrophobicContact CG2-CD1 3.77Å; I925-L950 WeakPolarHBondContact O-CB 3.47Å; I925-L950 WeakPolarHBondContact O-CG 3.44Å; I925-L950 PolarHBondContact O-N 3.04Å; E927-L950 HydrophobicContact CB-CD1 4.4Å; E927-L950 HydrophobicContact CB-CD2 3.98Å; E927-L950 HydrophobicContact CB-CG 4.17Å; E927-L950 WeakPolarHBondContact OE2-CD2 3.45Å; K948-L950 HydrophobicContact CG-CD2 4.42Å
951	Q	93.1	Very high	95.8	Very high	113 Å²	113	45.7 Å²	45.7	53%	0.528	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-50.2	174.9	-64.4	177.9	-19.2	0	0	111.3	I925 N949	I925-Q951 HydrophobicContact CB-CG 4.31Å; I925-Q951 HydrophobicContact CD1-CG 4.09Å; I925-Q951 HydrophobicContact CG2-CG 4.05Å; N949-Q951 VanDerWaalsContact C-N 3.33Å; N949-Q951 PolarHBondContact O-N 2.99Å; N949-Q951 WeakPolarHBondContact OD1-CA 3.45Å; N949-Q951 WeakPolarHBondContact OD1-CB 3.49Å; N949-Q951 PolarHBondContact OD1-N 2.81Å
952	T	94.1	Very high	95.9	Very high	76 Å²	76	45.5 Å²	45.5	47%	0.466	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-16.8	-176.1	66.6	0	0	0	0	113.6	N949 E954	N949-T952 WeakPolarHBondContact CB-OG1 3.39Å; N949-T952 PolarHBondContact OD1-N 3.09Å; T952-E954 PolarHBondContact O-N 2.8Å; T952-E954 VanDerWaalsContact O-N 3.17Å; T952-E954 WeakPolarHBondContact OG1-CB 3.46Å; T952-E954 WeakPolarHBondContact OG1-CG 3.32Å; T952-E954 PolarHBondContact OG1-N 2.84Å
953	N	93.8	Very high	95.9	Very high	104 Å²	104	44.8 Å²	44.8	56%	0.556	23%	0.228	S	C	*	.			trans	55.4	19.3	-168.6	-70.7	-86	0	0	0	114.2	K948 N949	K948-N953 WeakPolarHBondContact CE-OD1 3.43Å; N949-N953 WeakPolarHBondContact O-CA 3.49Å; N949-N953 PolarHBondContact O-N 3.07Å
954	E	95.1	Very high	95.6	Very high	101 Å²	101	46.2 Å²	46.2	47%	0.472	24%	0.237	S	C	.	.			trans	-75	150	167	-66.6	-173.2	136.8	0	0	110.9	W890 K948 N949 T952	W890-E954 HydrophobicContact CH2-CB 3.65Å; W890-E954 WeakPolarHBondContact CH2-O 3.3Å; W890-E954 HydrophobicContact CZ2-CB 3.71Å; W890-E954 WeakPolarHBondContact CZ2-OE2 3.42Å; K948-E954 WeakPolarHBondContact CA-O 3.36Å; N949-E954 PolarHBondContact N-O 3.47Å; T952-E954 PolarHBondContact O-N 2.8Å; T952-E954 VanDerWaalsContact O-N 3.17Å; T952-E954 WeakPolarHBondContact OG1-CB 3.46Å; T952-E954 WeakPolarHBondContact OG1-CG 3.32Å; T952-E954 PolarHBondContact OG1-N 2.84Å
955	T	94.9	Very high	95.1	Very high	55 Å²	55	46.4 Å²	46.4	34%	0.337	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	143.7	-175.2	67.8	0	0	0	0	111.7	Y946 L947 K948	Y946-T955 HydrophobicContact CE1-CG2 4.05Å; Y946-T955 WeakPolarHBondContact OH-CB 3.33Å; Y946-T955 WeakPolarHBondContact OH-CG2 3.41Å; Y946-T955 PolarHBondContact OH-OG1 3.24Å; Y946-T955 VanDerWaalsContact OH-OG1 3.13Å; L947-T955 CarbonylContact O-C 3.52Å; L947-T955 WeakPolarHBondContact O-CA 3.3Å; K948-T955 HydrophobicContact CB-CG2 3.84Å; K948-T955 HydrophobicContact CD-CG2 3.86Å; K948-T955 HydrophobicContact CG-CG2 3.89Å
956	R	93	Very high	94.6	Very high	79 Å²	79	46.4 Å²	46.4	30%	0.298	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	154.4	-177	-59.5	-177.1	-168.3	165	8.4	110.5	W890 L947	W890-R956 HydrophobicContact CH2-CG 4Å; W890-R956 HydrophobicContact CZ3-CB 4.27Å; W890-R956 HydrophobicContact CZ3-CG 3.79Å; W890-R956 PolarHBondContact O-NH1 3.04Å; L947-R956 PolarHBondContact N-O 3.1Å; L947-R956 PolarHBondContact O-N 3.21Å
957	T	94.4	Very high	93.6	Very high	96 Å²	96	46.2 Å²	46.2	59%	0.589	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-100.4	129	171.4	51.1	0	0	0	0	110.1	F945	F945-T957 CarbonylContact O-C 3.57Å; F945-T957 WeakPolarHBondContact O-CA 3.29Å
958	V	96.4	Very high	91.8	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.006	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	128	178.5	-177.1	0	0	0	0	109	V889 I897 F945 L947	V889-V958 HydrophobicContact CG1-CG1 4.25Å; V889-V958 HydrophobicContact CG1-CG2 4.04Å; I897-V958 HydrophobicContact CD1-CG1 3.72Å; I897-V958 HydrophobicContact CG1-CG1 3.88Å; F945-V958 PolarHBondContact N-O 3.32Å; F945-V958 PolarHBondContact O-N 3.45Å; L947-V958 HydrophobicContact CB-CG2 4.2Å; L947-V958 HydrophobicContact CD2-CG2 3.84Å
959	T	97	Very high	90.1	Very high	28 Å²	28	57.4 Å²	57.4	17%	0.172	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	121.2	178.7	-49	0	0	0	0	110	V895 V896 I897 V942 R943 F961	V895-T959 PolarHBondContact O-N 3.27Å; V896-T959 WeakPolarHBondContact CA-O 3.4Å; I897-T959 PolarHBondContact N-O 2.91Å; V942-T959 HydrophobicContact CG1-CG2 3.47Å; V942-T959 VanDerWaalsContact CG1-CG2 3.47Å; R943-T959 CarbonylContact O-C 3.55Å; R943-T959 WeakPolarHBondContact O-CA 3.34Å; T959-F961 HydrophobicContact CG2-CD2 3.98Å; T959-F961 HydrophobicContact CG2-CE2 3.41Å; T959-F961 VanDerWaalsContact CG2-CE2 3.41Å; T959-F961 HydrophobicContact CG2-CZ 3.9Å
960	Q	97.8	Very high	89	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	124.6	171.2	179	-163.2	64.9	0	0	109.4	I897 Y914 W915 V942 R943 F945	I897-Q960 HydrophobicContact CB-CB 4.43Å; I897-Q960 CarbonylContact O-C 3.44Å; I897-Q960 WeakPolarHBondContact O-CA 3.35Å; Y914-Q960 VanDerWaalsContact CZ-NE2 3.34Å; Y914-Q960 PolarHBondContact OH-NE2 3.19Å; W915-Q960 VanDerWaalsContact CE3-NE2 3.26Å; V942-Q960 CarbonylContact C-O 3.45Å; V942-Q960 WeakPolarHBondContact CA-O 3.33Å; R943-Q960 HydrophobicContact CB-CB 4.35Å; R943-Q960 PolarHBondContact N-O 3.01Å; R943-Q960 PolarHBondContact O-N 3.07Å; F945-Q960 HydrophobicContact CD2-CB 4.29Å; F945-Q960 HydrophobicContact CE2-CB 3.67Å
961	F	97.9	Very high	88.6	Confident	10 Å²	10	59.3 Å²	59.3	4%	0.044	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	118.4	168.7	-69.3	-100.5	0	0	0	107.9	V896 I897 M899 V942 T959 F981 K984 V985 C988	V896-F961 HydrophobicContact CG1-CD2 3.83Å; V896-F961 HydrophobicContact CG1-CE2 3.91Å; I897-F961 PolarHBondContact O-N 3.08Å; M899-F961 PolarHBondContact N-O 3.04Å; V942-F961 HydrophobicContact CG1-CD1 4.36Å; V942-F961 HydrophobicContact CG1-CE1 4.16Å; V942-F961 HydrophobicContact CG1-CZ 4.27Å; V942-F961 HydrophobicContact CG2-CD1 3.43Å; V942-F961 VanDerWaalsContact CG2-CD1 3.43Å; V942-F961 HydrophobicContact CG2-CE1 3.61Å; V942-F961 HydrophobicContact CG2-CG 4.18Å; V942-F961 HydrophobicContact CG2-CZ 4.5Å; T959-F961 HydrophobicContact CG2-CD2 3.98Å; T959-F961 HydrophobicContact CG2-CE2 3.41Å; T959-F961 VanDerWaalsContact CG2-CE2 3.41Å; T959-F961 HydrophobicContact CG2-CZ 3.9Å; F961-F981 HydrophobicContact CB-CE2 3.65Å; F961-F981 HydrophobicContact CB-CZ 3.68Å; F961-K984 HydrophobicContact CE1-CB 4.07Å; F961-V985 HydrophobicContact CB-CG2 3.73Å; F961-V985 HydrophobicContact CD1-CB 4.5Å; F961-V985 HydrophobicContact CD1-CG2 3.57Å; F961-V985 HydrophobicContact CD2-CG2 4.03Å; F961-V985 HydrophobicContact CE1-CG2 4.18Å; F961-V985 HydrophobicContact CG-CG2 3.5Å; F961-C988 HydrophobicContact CE2-CB 3.79Å; F961-C988 HydrophobicContact CZ-CB 3.69Å
962	H	97.1	Very high	88.3	Confident	7 Å²	7	54.3 Å²	54.3	3%	0.032	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	108.8	-171.9	-176.3	-174.3	0	0	0	110	M899 T901 F940 L941 R943 L964	M899-H962 HydrophobicContact CB-CB 4.41Å; M899-H962 WeakPolarHBondContact O-CA 3.48Å; T901-H962 PolarHBondContact O-NE2 2.62Å; F940-H962 VanDerWaalsContact CA-O 3.22Å; F940-H962 WeakPolarHBondContact CA-O 3.36Å; F940-H962 WeakPolarHBondContact CB-O 3.19Å; L941-H962 HydrophobicContact CD1-CB 3.75Å; L941-H962 HydrophobicContact CG-CB 4.17Å; L941-H962 PolarHBondContact N-O 3.02Å; L941-H962 PolarHBondContact O-N 2.92Å; R943-H962 PolarHBondContact NH1-ND1 3.06Å; H962-L964 WeakPolarHBondContact NE2-CD2 3.36Å
963	F	95.1	Very high	87.6	Confident	1 Å²	1	57.3 Å²	57.3	0%	0.004	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	124.8	176.1	-159	-83.7	0	0	0	109.8	M899 L900 F940 S965 W966 T977 L978 F981	M899-F963 PolarHBondContact O-N 3.08Å; L900-F963 HydrophobicContact CD2-CB 4.09Å; F940-F963 HydrophobicContact CB-CD2 4.2Å; F940-F963 HydrophobicContact CD1-CD2 4.32Å; F940-F963 HydrophobicContact CD1-CE2 4.33Å; F963-S965 WeakPolarHBondContact CE1-OG 3.28Å; F963-W966 HydrophobicContact CD1-CB 3.74Å; F963-W966 HydrophobicContact CE1-CB 3.86Å; F963-T977 HydrophobicContact CE2-CG2 3.81Å; F963-T977 HydrophobicContact CZ-CG2 3.75Å; F963-L978 HydrophobicContact CD2-CD1 4.06Å; F963-L978 HydrophobicContact CE2-CB 4.39Å; F963-L978 HydrophobicContact CE2-CD1 3.94Å; F963-L978 HydrophobicContact CZ-CB 4.48Å; F963-L978 HydrophobicContact CZ-CD1 4.29Å; F963-F981 HydrophobicContact CB-CD2 4.44Å; F963-F981 HydrophobicContact CB-CE1 4.36Å; F963-F981 HydrophobicContact CB-CE2 3.97Å; F963-F981 HydrophobicContact CB-CZ 3.93Å; F963-F981 HydrophobicContact CD2-CB 3.9Å; F963-F981 AromaticContact CD2-CD1 3.98Å; F963-F981 HydrophobicContact CD2-CD1 3.98Å; F963-F981 AromaticContact CD2-CD2 3.75Å; F963-F981 HydrophobicContact CD2-CD2 3.75Å; F963-F981 HydrophobicContact CD2-CE1 4.39Å; F963-F981 HydrophobicContact CD2-CE2 4.15Å; F963-F981 AromaticContact CD2-CG 3.63Å; F963-F981 HydrophobicContact CD2-CG 3.63Å; F963-F981 HydrophobicContact CD2-CZ 4.45Å; F963-F981 HydrophobicContact CE2-CB 4.01Å; F963-F981 HydrophobicContact CE2-CG 4.25Å
964	L	90.9	Very high	87.2	Confident	49 Å²	49	54 Å²	54	26%	0.257	29%	0.292	S	S	.	.			trans	-105	-35.6	-167.9	-59.4	170	0	0	0	112.6	D939 L941 H962 W966	D939-L964 WeakPolarHBondContact O-CB 3.3Å; D939-L964 PolarHBondContact O-N 3.19Å; L941-L964 HydrophobicContact CD2-CD1 4.25Å; H962-L964 WeakPolarHBondContact NE2-CD2 3.36Å; L964-W966 VanDerWaalsContact C-N 3.34Å; L964-W966 PolarHBondContact O-N 3.03Å
965	S	86.6	Confident	87	Confident	45 Å²	45	49.4 Å²	49.4	32%	0.315	27%	0.271	S	S	.	.	S	Bend	trans	-85.7	4.4	-171	59.1	0	0	0	0	115.4	D939 F963 M967	D939-S965 VanDerWaalsContact CB-OG 3.3Å; D939-S965 WeakPolarHBondContact CB-OG 3.31Å; D939-S965 WeakPolarHBondContact OD1-CB 3.34Å; D939-S965 PolarHBondContact OD1-OG 3.45Å; F963-S965 WeakPolarHBondContact CE1-OG 3.28Å; S965-M967 PolarHBondContact O-N 3.03Å
966	W	87.9	Confident	86.8	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.283	C	S	.	.			trans	-89.1	89.6	172.1	-162.1	-17.1	0	0	0	109.7	F963 L964 G970 P972 L978 R1006 T1009 F1052	F963-W966 HydrophobicContact CD1-CB 3.74Å; F963-W966 HydrophobicContact CE1-CB 3.86Å; L964-W966 VanDerWaalsContact C-N 3.34Å; L964-W966 PolarHBondContact O-N 3.03Å; W966-G970 PolarHBondContact NE1-O 3.36Å; W966-P972 HydrophobicContact CB-CG 4.37Å; W966-P972 HydrophobicContact CD2-CG 3.7Å; W966-P972 HydrophobicContact CE3-CG 4Å; W966-P972 HydrophobicContact CG-CG 3.89Å; W966-P972 HydrophobicContact CZ2-CG 4.46Å; W966-P972 HydrophobicContact CZ3-CG 4.49Å; W966-L978 HydrophobicContact CE3-CD1 4.21Å; W966-L978 HydrophobicContact CE3-CD2 4.43Å; W966-L978 HydrophobicContact CH2-CD2 4.13Å; W966-L978 HydrophobicContact CZ3-CD1 4.01Å; W966-L978 HydrophobicContact CZ3-CD2 3.66Å; W966-R1006 HydrophobicContact CD2-CB 4.24Å; W966-R1006 HydrophobicContact CD2-CG 3.89Å; W966-R1006 HydrophobicContact CE3-CB 4.32Å; W966-R1006 HydrophobicContact CE3-CG 4.48Å; W966-R1006 HydrophobicContact CG-CG 4.27Å; W966-R1006 HydrophobicContact CH2-CB 4.29Å; W966-R1006 HydrophobicContact CZ2-CB 4.17Å; W966-R1006 HydrophobicContact CZ2-CG 3.9Å; W966-R1006 HydrophobicContact CZ3-CB 4.34Å; W966-R1006 PolarHBondContact O-NH1 3.42Å; W966-T1009 HydrophobicContact CH2-CG2 3.71Å; W966-T1009 HydrophobicContact CZ2-CG2 4.08Å; W966-F1052 HydrophobicContact CH2-CE1 4.36Å
967	M	76.1	Confident	86.7	Confident	91 Å²	91	52 Å²	52	45%	0.448	28%	0.279	S	S	.	.			trans	-97.3	144.4	-176	-54.7	-65.2	-86.6	0	0	112	P902 E905 S965	P902-M967 HydrophobicContact CG-SD 3.87Å; E905-M967 HydrophobicContact CG-CE 4.39Å; E905-M967 HydrophobicContact CG-SD 4.37Å; S965-M967 PolarHBondContact O-N 3.03Å
968	D	57.9	Low	86.6	Confident	67 Å²	67	47.7 Å²	47.7	36%	0.358	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.3	-162.7	172.1	-74.3	-63.6	0	0	0	115	E905 N906 G970	E905-D968 WeakPolarHBondContact OE2-CA 3.15Å; E905-D968 PolarHBondContact OE2-N 3.48Å; N906-D968 PolarHBondContact ND2-OD1 3.49Å; N906-D968 PolarHBondContact ND2-OD2 3.45Å; D968-G970 PolarHBondContact O-N 2.91Å
969	R	62.1	Low	86.5	Confident	216 Å²	216	47.8 Å²	47.8	82%	0.815	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-0.7	178.9	-58.4	-173.9	-176.4	-161.9	1.1	113.6
970	G	72.2	Confident	86.2	Confident	33 Å²	33	50 Å²	50	34%	0.34	26%	0.263	S	S	.	.	S	Bend	trans	-82.7	-160.1	-177.6	0	0	0	0	0	114.2	W966 D968	W966-G970 PolarHBondContact NE1-O 3.36Å; D968-G970 PolarHBondContact O-N 2.91Å
971	I	87.6	Confident	86.1	Confident	73 Å²	73	50 Å²	50	37%	0.374	26%	0.263	S	S	.	.			trans	-126.6	153.4	-177.6	56.6	173.3	0	0	0	110.4	S973 E1048 Q1049 F1052	I971-S973 PolarHBondContact O-N 3.02Å; I971-E1048 HydrophobicContact CG2-CB 4.19Å; I971-E1048 WeakPolarHBondContact CG2-O 3.33Å; I971-Q1049 HydrophobicContact CG2-CG 4.16Å; I971-F1052 HydrophobicContact CB-CB 4.02Å; I971-F1052 HydrophobicContact CB-CD2 3.98Å; I971-F1052 HydrophobicContact CB-CG 3.93Å; I971-F1052 HydrophobicContact CD1-CB 3.91Å; I971-F1052 HydrophobicContact CD1-CD2 4.08Å; I971-F1052 HydrophobicContact CD1-CG 4.33Å; I971-F1052 HydrophobicContact CG1-CD2 4.45Å; I971-F1052 HydrophobicContact CG2-CB 3.7Å; I971-F1052 HydrophobicContact CG2-CG 4.03Å
972	P	86.8	Confident	85.9	Confident	8 Å²	8	50.5 Å²	50.5	5%	0.052	27%	0.265	C	S	.	.			trans	-58.8	136.2	173.4	-21.9	33.8	0	0	0	111	W966 S974 F1052	W966-P972 HydrophobicContact CB-CG 4.37Å; W966-P972 HydrophobicContact CD2-CG 3.7Å; W966-P972 HydrophobicContact CE3-CG 4Å; W966-P972 HydrophobicContact CG-CG 3.89Å; W966-P972 HydrophobicContact CZ2-CG 4.46Å; W966-P972 HydrophobicContact CZ3-CG 4.49Å; P972-S974 PolarHBondContact O-N 3.48Å; P972-F1052 HydrophobicContact CB-CE2 4.13Å; P972-F1052 HydrophobicContact CB-CZ 3.93Å; P972-F1052 VanDerWaalsContact CD-CZ 3.5Å; P972-F1052 HydrophobicContact CG-CE1 4.1Å; P972-F1052 HydrophobicContact CG-CE2 4.22Å; P972-F1052 HydrophobicContact CG-CZ 3.64Å; P972-F1052 WeakPolarHBondContact O-CE2 3.36Å
973	S	79.3	Confident	85.6	Confident	139 Å²	139	54.9 Å²	54.9	97%	0.972	28%	0.281	S	S	*	.	S	Bend	trans	-63.8	-12.9	-179.1	56.7	0	0	0	0	114.4	I971	I971-S973 PolarHBondContact O-N 3.02Å
974	S	84.8	Confident	85.5	Confident	36 Å²	36	57.8 Å²	57.8	25%	0.252	29%	0.293	S	S	.	.			trans	-144.8	134	165.7	-171.8	0	0	0	0	111.1	P972 R976	P972-S974 PolarHBondContact O-N 3.48Å; S974-R976 PolarHBondContact O-N 3.49Å; S974-R976 PolarHBondContact OG-N 2.86Å
975	A	91.4	Very high	85.6	Confident	3 Å²	3	55.4 Å²	55.4	3%	0.025	28%	0.281	C	S	.	.	H	α-helix	trans	-62.8	-29.2	173	0	0	0	0	0	112.5	T977 L978 L979 F1052 A1056	A975-T977 VanDerWaalsContact C-N 3.33Å; A975-T977 PolarHBondContact O-N 3.01Å; A975-L978 PolarHBondContact O-N 2.73Å; A975-L979 HydrophobicContact CB-CD1 4.34Å; A975-L979 WeakPolarHBondContact O-CG 3.42Å; A975-L979 PolarHBondContact O-N 3.44Å; A975-F1052 HydrophobicContact CB-CE2 3.98Å; A975-F1052 HydrophobicContact CB-CZ 4.2Å; A975-A1056 HydrophobicContact CB-CB 3.78Å
976	R	90.5	Very high	85.7	Confident	157 Å²	157	55.8 Å²	55.8	59%	0.592	28%	0.279	S	S	*	.	H	α-helix	trans	-56.3	-43.2	-174.7	-62	180	-170.6	156.3	12.1	113.2	S974 L978 L979 D980 E1059	S974-R976 PolarHBondContact O-N 3.49Å; S974-R976 PolarHBondContact OG-N 2.86Å; R976-L978 VanDerWaalsContact C-N 3.34Å; R976-L978 PolarHBondContact O-N 2.76Å; R976-L979 PolarHBondContact O-N 2.86Å; R976-D980 PolarHBondContact O-N 3.48Å; R976-E1059 WeakPolarHBondContact CG-OE2 3.26Å; R976-E1059 IonicContact CZ-OE2 3.85Å; R976-E1059 IonicContact NE-OE2 2.75Å; R976-E1059 PolarHBondContact NE-OE2 3.13Å; R976-E1059 IonicContact NH2-OE2 3.73Å; R976-E1059 PolarHBondContact NH2-OE2 2.91Å
977	T	90.3	Very high	85.7	Confident	33 Å²	33	61 Å²	61	20%	0.202	30%	0.302	C	S	.	.	H	α-helix	trans	-61.3	-43.3	178.2	-52.9	0	0	0	0	111.4	D939 F963 A975 D980 F981	D939-T977 HydrophobicContact CB-CG2 3.34Å; F963-T977 HydrophobicContact CE2-CG2 3.81Å; F963-T977 HydrophobicContact CZ-CG2 3.75Å; A975-T977 VanDerWaalsContact C-N 3.33Å; A975-T977 PolarHBondContact O-N 3.01Å; T977-D980 PolarHBondContact O-N 2.82Å; T977-F981 WeakPolarHBondContact O-CB 3.46Å; T977-F981 PolarHBondContact O-N 2.76Å
978	L	93.4	Very high	86.1	Confident	4 Å²	4	57.6 Å²	57.6	2%	0.021	29%	0.287	C	S	.	.	H	α-helix	trans	-69.8	-34.2	176.8	-169.5	68.2	0	0	0	111.9	F963 W966 A975 R976 F981 R982 Y1010 I1013 F1052	F963-L978 HydrophobicContact CD2-CD1 4.06Å; F963-L978 HydrophobicContact CE2-CB 4.39Å; F963-L978 HydrophobicContact CE2-CD1 3.94Å; F963-L978 HydrophobicContact CZ-CB 4.48Å; F963-L978 HydrophobicContact CZ-CD1 4.29Å; W966-L978 HydrophobicContact CE3-CD1 4.21Å; W966-L978 HydrophobicContact CE3-CD2 4.43Å; W966-L978 HydrophobicContact CH2-CD2 4.13Å; W966-L978 HydrophobicContact CZ3-CD1 4.01Å; W966-L978 HydrophobicContact CZ3-CD2 3.66Å; A975-L978 PolarHBondContact O-N 2.73Å; R976-L978 VanDerWaalsContact C-N 3.34Å; R976-L978 PolarHBondContact O-N 2.76Å; L978-F981 HydrophobicContact CD1-CD1 4.14Å; L978-R982 VanDerWaalsContact O-CB 3.26Å; L978-R982 WeakPolarHBondContact O-CB 3.06Å; L978-R982 PolarHBondContact O-N 2.67Å; L978-Y1010 HydrophobicContact CD1-CD2 4.08Å; L978-Y1010 HydrophobicContact CG-CD2 4.43Å; L978-I1013 HydrophobicContact CD2-CD1 4.02Å; L978-F1052 HydrophobicContact CD2-CE1 3.62Å; L978-F1052 HydrophobicContact CD2-CZ 4.01Å
979	L	93.8	Very high	86.6	Confident	3 Å²	3	61.1 Å²	61.1	2%	0.016	30%	0.296	C	S	.	.	H	α-helix	trans	-68.8	-41.7	174.6	-67.2	170	0	0	0	111.9	A975 R976 R982 R983 I1013 L1017 E1059 E1060	A975-L979 HydrophobicContact CB-CD1 4.34Å; A975-L979 WeakPolarHBondContact O-CG 3.42Å; A975-L979 PolarHBondContact O-N 3.44Å; R976-L979 PolarHBondContact O-N 2.86Å; L979-R982 WeakPolarHBondContact O-CB 3.34Å; L979-R982 PolarHBondContact O-N 3.36Å; L979-R983 WeakPolarHBondContact O-CB 3.02Å; L979-R983 WeakPolarHBondContact O-CG 3.48Å; L979-R983 PolarHBondContact O-N 3.14Å; L979-I1013 HydrophobicContact CD2-CG2 4.33Å; L979-L1017 HydrophobicContact CD2-CD1 4Å; L979-E1059 HydrophobicContact CD1-CB 4.04Å; L979-E1060 HydrophobicContact CD1-CB 4.11Å; L979-E1060 HydrophobicContact CD2-CB 3.93Å; L979-E1060 HydrophobicContact CD2-CG 4.31Å
980	D	91.5	Very high	87.1	Confident	76 Å²	76	53.7 Å²	53.7	41%	0.406	27%	0.268	S	S	.	.	H	α-helix	trans	-67.7	-37.3	173.9	-85.6	-38.5	0	0	0	112.8	R976 T977 R983 K984	R976-D980 PolarHBondContact O-N 3.48Å; T977-D980 PolarHBondContact O-N 2.82Å; D980-R983 PolarHBondContact O-N 2.76Å; D980-R983 IonicContact OD1-CZ 2.66Å; D980-R983 IonicContact OD1-NH1 2.79Å; D980-R983 PolarHBondContact OD1-NH1 2.95Å; D980-R983 IonicContact OD2-NH1 3.2Å; D980-K984 WeakPolarHBondContact O-CG 3.44Å; D980-K984 PolarHBondContact O-N 2.04Å; D980-K984 VanDerWaalsContact O-N 3.1Å
981	F	94.3	Very high	86.8	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-58.7	-50.1	167.5	174.6	-99.3	0	0	0	111.3	V898 L900 F940 F961 F963 T977 L978 R983 K984 V985 Y1010	V898-F981 HydrophobicContact CG1-CE1 3.77Å; V898-F981 HydrophobicContact CG1-CZ 3.93Å; L900-F981 HydrophobicContact CD2-CE1 3.89Å; L900-F981 HydrophobicContact CD2-CZ 4.32Å; F940-F981 HydrophobicContact CB-CD2 3.81Å; F940-F981 HydrophobicContact CB-CE2 4.1Å; F940-F981 HydrophobicContact CD1-CB 4.03Å; F940-F981 AromaticContact CD1-CD2 3.98Å; F940-F981 HydrophobicContact CD1-CD2 3.98Å; F940-F981 HydrophobicContact CD1-CG 4.48Å; F940-F981 AromaticContact CD2-CD2 3.85Å; F940-F981 HydrophobicContact CD2-CD2 3.85Å; F940-F981 HydrophobicContact CE1-CB 3.98Å; F940-F981 HydrophobicContact CE2-CD2 4.41Å; F940-F981 AromaticContact CG-CD2 3.62Å; F940-F981 HydrophobicContact CG-CD2 3.62Å; F940-F981 HydrophobicContact CG-CE2 4.35Å; F940-F981 HydrophobicContact CZ-CB 4.44Å; F961-F981 HydrophobicContact CB-CE2 3.65Å; F961-F981 HydrophobicContact CB-CZ 3.68Å; F963-F981 HydrophobicContact CB-CD2 4.44Å; F963-F981 HydrophobicContact CB-CE1 4.36Å; F963-F981 HydrophobicContact CB-CE2 3.97Å; F963-F981 HydrophobicContact CB-CZ 3.93Å; F963-F981 HydrophobicContact CD2-CB 3.9Å; F963-F981 AromaticContact CD2-CD1 3.98Å; F963-F981 HydrophobicContact CD2-CD1 3.98Å; F963-F981 AromaticContact CD2-CD2 3.75Å; F963-F981 HydrophobicContact CD2-CD2 3.75Å; F963-F981 HydrophobicContact CD2-CE1 4.39Å; F963-F981 HydrophobicContact CD2-CE2 4.15Å; F963-F981 AromaticContact CD2-CG 3.63Å; F963-F981 HydrophobicContact CD2-CG 3.63Å; F963-F981 HydrophobicContact CD2-CZ 4.45Å; F963-F981 HydrophobicContact CE2-CB 4.01Å; F963-F981 HydrophobicContact CE2-CG 4.25Å; T977-F981 WeakPolarHBondContact O-CB 3.46Å; T977-F981 PolarHBondContact O-N 2.76Å; L978-F981 HydrophobicContact CD1-CD1 4.14Å; F981-R983 PolarHBondContact O-N 3.1Å; F981-K984 WeakPolarHBondContact O-CB 3.45Å; F981-K984 PolarHBondContact O-N 3.29Å; F981-K984 VanDerWaalsContact O-N 3.16Å; F981-V985 HydrophobicContact CD1-CG2 4.17Å; F981-V985 HydrophobicContact CE1-CG2 3.94Å; F981-V985 HydrophobicContact CZ-CG2 4.14Å; F981-V985 WeakPolarHBondContact O-CG2 3.25Å; F981-V985 PolarHBondContact O-N 2.83Å; F981-Y1010 AromaticContact CD1-CE2 3.96Å; F981-Y1010 HydrophobicContact CD1-CE2 3.96Å; F981-Y1010 AromaticContact CE1-CE2 3.95Å; F981-Y1010 HydrophobicContact CE1-CE2 3.95Å
982	R	94.6	Very high	85.7	Confident	20 Å²	20	61.6 Å²	61.6	8%	0.075	29%	0.29	C	S	.	.	H	α-helix	trans	-57.2	-45.4	175.8	-178.9	-165.4	170.7	-105.1	-10.8	112.2	L978 L979 K984 V985 N986 Y1010 D1014 L1017 N1018 E1060	L978-R982 VanDerWaalsContact O-CB 3.26Å; L978-R982 WeakPolarHBondContact O-CB 3.06Å; L978-R982 PolarHBondContact O-N 2.67Å; L979-R982 WeakPolarHBondContact O-CB 3.34Å; L979-R982 PolarHBondContact O-N 3.36Å; R982-K984 VanDerWaalsContact C-N 3.3Å; R982-K984 PolarHBondContact O-N 3.2Å; R982-V985 PolarHBondContact O-N 2.93Å; R982-N986 PolarHBondContact NH2-ND2 3.04Å; R982-N986 WeakPolarHBondContact O-CB 3.29Å; R982-N986 PolarHBondContact O-N 2.88Å; R982-Y1010 HydrophobicContact CB-CE2 4.22Å; R982-D1014 IonicContact CZ-OD1 3.41Å; R982-D1014 IonicContact NE-OD1 2.76Å; R982-D1014 PolarHBondContact NE-OD1 3.17Å; R982-D1014 IonicContact NH2-OD1 3.22Å; R982-D1014 PolarHBondContact NH2-OD1 2.87Å; R982-L1017 VanDerWaalsContact CZ-CB 3.49Å; R982-N1018 PolarHBondContact NH2-OD1 2.85Å; R982-E1060 IonicContact NH1-OE1 2.79Å
983	R	91.6	Very high	84.9	Confident	98 Å²	98	65 Å²	65	37%	0.37	31%	0.314	S	S	.	.	H	α-helix	trans	-59.9	-39.3	177.3	-69.5	163.4	-166.9	164.8	-3.8	111.4	L979 D980 F981 K987 E1060	L979-R983 WeakPolarHBondContact O-CB 3.02Å; L979-R983 WeakPolarHBondContact O-CG 3.48Å; L979-R983 PolarHBondContact O-N 3.14Å; D980-R983 PolarHBondContact O-N 2.76Å; D980-R983 IonicContact OD1-CZ 2.66Å; D980-R983 IonicContact OD1-NH1 2.79Å; D980-R983 PolarHBondContact OD1-NH1 2.95Å; D980-R983 IonicContact OD2-NH1 3.2Å; F981-R983 PolarHBondContact O-N 3.1Å; R983-K987 WeakPolarHBondContact O-CB 3.49Å; R983-K987 PolarHBondContact O-N 2.89Å; R983-E1060 IonicContact CZ-OE1 3.98Å; R983-E1060 IonicContact CZ-OE2 2.69Å; R983-E1060 IonicContact NE-OE1 3.48Å; R983-E1060 PolarHBondContact NE-OE1 3.34Å; R983-E1060 VanDerWaalsContact NE-OE1 3.08Å; R983-E1060 IonicContact NE-OE2 3.55Å; R983-E1060 PolarHBondContact NE-OE2 3.29Å; R983-E1060 IonicContact NH2-OE1 3.8Å; R983-E1060 IonicContact NH2-OE2 2.62Å; R983-E1060 PolarHBondContact NH2-OE2 3.41Å
984	K	91.9	Very high	85.2	Confident	62 Å²	62	60 Å²	60	27%	0.27	28%	0.279	S	S	.	.	H	α-helix	trans	-68.4	-45	173.2	-69.6	174.6	-172	-66.8	0	112.5	W936 F940 F961 D980 F981 R982 N986 K987 C988	W936-K984 HydrophobicContact CD2-CD 4.2Å; W936-K984 HydrophobicContact CG-CD 4.4Å; F940-K984 HydrophobicContact CE2-CD 3.44Å; F940-K984 VanDerWaalsContact CE2-CD 3.44Å; F940-K984 HydrophobicContact CZ-CD 3.59Å; F940-K984 VanDerWaalsContact CZ-CE 3.48Å; F961-K984 HydrophobicContact CE1-CB 4.07Å; D980-K984 WeakPolarHBondContact O-CG 3.44Å; D980-K984 PolarHBondContact O-N 2.04Å; D980-K984 VanDerWaalsContact O-N 3.1Å; F981-K984 WeakPolarHBondContact O-CB 3.45Å; F981-K984 PolarHBondContact O-N 3.29Å; F981-K984 VanDerWaalsContact O-N 3.16Å; R982-K984 VanDerWaalsContact C-N 3.3Å; R982-K984 PolarHBondContact O-N 3.2Å; K984-N986 VanDerWaalsContact C-N 3.31Å; K984-N986 PolarHBondContact O-N 3.18Å; K984-K987 PolarHBondContact O-N 3.17Å; K984-C988 PolarHBondContact O-N 3.16Å
985	V	93.4	Very high	85.7	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-55.6	-47.6	174.7	169.9	0	0	0	0	110.1	V896 V898 F961 F981 R982 C988 R990 Y1010	V896-V985 HydrophobicContact CG1-CG1 4.23Å; V898-V985 HydrophobicContact CG2-CG1 3.83Å; V898-V985 HydrophobicContact CG2-CG2 4.11Å; F961-V985 HydrophobicContact CB-CG2 3.73Å; F961-V985 HydrophobicContact CD1-CB 4.5Å; F961-V985 HydrophobicContact CD1-CG2 3.57Å; F961-V985 HydrophobicContact CD2-CG2 4.03Å; F961-V985 HydrophobicContact CE1-CG2 4.18Å; F961-V985 HydrophobicContact CG-CG2 3.5Å; F981-V985 HydrophobicContact CD1-CG2 4.17Å; F981-V985 HydrophobicContact CE1-CG2 3.94Å; F981-V985 HydrophobicContact CZ-CG2 4.14Å; F981-V985 WeakPolarHBondContact O-CG2 3.25Å; F981-V985 PolarHBondContact O-N 2.83Å; R982-V985 PolarHBondContact O-N 2.93Å; V985-C988 WeakPolarHBondContact O-CB 3.47Å; V985-C988 PolarHBondContact O-N 3.47Å; V985-C988 VanDerWaalsContact O-N 3.14Å; V985-R990 VanDerWaalsContact CG1-NH2 3.3Å; V985-R990 VanDerWaalsContact O-CZ 3.27Å; V985-R990 PolarHBondContact O-NH1 3.13Å; V985-R990 PolarHBondContact O-NH2 3.02Å; V985-Y1010 WeakPolarHBondContact CB-OH 3.44Å; V985-Y1010 VanDerWaalsContact CG1-OH 3.31Å; V985-Y1010 WeakPolarHBondContact CG1-OH 3.22Å
986	N	89.3	Confident	85.9	Confident	52 Å²	52	58.8 Å²	58.8	28%	0.278	27%	0.27	S	S	.	.	H	α-helix	trans	-77.5	-21.6	-175.8	-69.9	-0.9	0	0	0	113.7	R982 K984 C988 D1014	R982-N986 PolarHBondContact NH2-ND2 3.04Å; R982-N986 WeakPolarHBondContact O-CB 3.29Å; R982-N986 PolarHBondContact O-N 2.88Å; K984-N986 VanDerWaalsContact C-N 3.31Å; K984-N986 PolarHBondContact O-N 3.18Å; N986-C988 VanDerWaalsContact C-N 3.31Å; N986-D1014 PolarHBondContact ND2-OD1 2.93Å
987	K	87.6	Confident	86.3	Confident	110 Å²	110	51.3 Å²	51.3	48%	0.478	24%	0.241	S	C	.	.	H	α-helix	trans	-77.8	-11.4	167.2	-173.1	156.3	-176.3	152.1	0	113.6	C770 E771 R983 K984	C770-K987 WeakPolarHBondContact O-CE 3.46Å; E771-K987 PolarHBondContact O-NZ 3.26Å; R983-K987 WeakPolarHBondContact O-CB 3.49Å; R983-K987 PolarHBondContact O-N 2.89Å; K984-K987 PolarHBondContact O-N 3.17Å
988	C	84.6	Confident	86.7	Confident	19 Å²	19	49.8 Å²	49.8	13%	0.128	23%	0.232	C	C	.	.	S	Bend	trans	-64.2	142.9	174.3	-162.4	0	0	0	0	111.8	V896 F961 K984 V985 N986 R990	V896-C988 HydrophobicContact CG2-CB 4.13Å; F961-C988 HydrophobicContact CE2-CB 3.79Å; F961-C988 HydrophobicContact CZ-CB 3.69Å; K984-C988 PolarHBondContact O-N 3.16Å; V985-C988 WeakPolarHBondContact O-CB 3.47Å; V985-C988 PolarHBondContact O-N 3.47Å; V985-C988 VanDerWaalsContact O-N 3.14Å; N986-C988 VanDerWaalsContact C-N 3.31Å; C988-R990 PolarHBondContact O-NH1 3.3Å
989	Y	67.6	Low	86.9	Confident	141 Å²	141	49.6 Å²	49.6	55%	0.553	23%	0.231	S	C	*	.			trans	-60.4	137	177.1	175.9	-90.2	0	0	0	111.4
990	R	73.8	Confident	86.9	Confident	61 Å²	61	49.5 Å²	49.5	23%	0.23	23%	0.23	C	C	.	.			trans	-136	140.4	173.4	-69.8	171.5	180	70.7	-3.5	109.7	V896 V985 C988 I996	V896-R990 HydrophobicContact CG2-CG 4.09Å; V985-R990 VanDerWaalsContact CG1-NH2 3.3Å; V985-R990 VanDerWaalsContact O-CZ 3.27Å; V985-R990 PolarHBondContact O-NH1 3.13Å; V985-R990 PolarHBondContact O-NH2 3.02Å; C988-R990 PolarHBondContact O-NH1 3.3Å; R990-I996 VanDerWaalsContact NH2-CD1 3.28Å
991	G	64.6	Low	87.1	Confident	23 Å²	23	46.6 Å²	46.6	24%	0.237	22%	0.216	C	C	.	.			trans	-66.7	157.1	161.4	0	0	0	0	0	110.6	S993 C994	G991-S993 PolarHBondContact O-N 3.16Å; G991-C994 PolarHBondContact O-N 2.87Å
992	R	64.6	Low	87.1	Confident	248 Å²	248	47.9 Å²	47.9	94%	0.936	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	135.1	167.9	-65.9	-178.5	179.9	177.9	-0.4	108.4	C994	R992-C994 VanDerWaalsContact C-N 3.26Å; R992-C994 PolarHBondContact O-N 2.85Å
993	S	70.4	Confident	87.1	Confident	79 Å²	79	46.9 Å²	46.9	55%	0.552	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.2	19.1	-176.6	-58.1	0	0	0	0	116.4	N868 G991 P995	N868-S993 WeakPolarHBondContact OD1-CB 3.46Å; N868-S993 PolarHBondContact OD1-OG 3.4Å; G991-S993 PolarHBondContact O-N 3.16Å; S993-P995 WeakPolarHBondContact O-CD 3.35Å
994	C	86.1	Confident	87.2	Confident	34 Å²	34	42.2 Å²	42.2	23%	0.23	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-84.4	117.9	167.7	-68.3	0	0	0	0	110.5	G893 V895 G991 R992	G893-C994 PolarHBondContact O-SG 3.46Å; V895-C994 HydrophobicContact CG2-CB 4.38Å; G991-C994 PolarHBondContact O-N 2.87Å; R992-C994 VanDerWaalsContact C-N 3.26Å; R992-C994 PolarHBondContact O-N 2.85Å
995	P	93.8	Very high	87.3	Confident	6 Å²	6	39.3 Å²	39.3	4%	0.039	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-70.6	156	174.8	29.2	-34	0	0	0	111.9	I872 S892 S993	I872-P995 HydrophobicContact CD1-CB 4.15Å; I872-P995 HydrophobicContact CD1-CG 3.75Å; I872-P995 HydrophobicContact CG1-CB 4.01Å; I872-P995 HydrophobicContact CG1-CG 4.18Å; S892-P995 WeakPolarHBondContact O-CD 3.3Å; S993-P995 WeakPolarHBondContact O-CD 3.35Å
996	I	96.2	Very high	87.4	Confident	9 Å²	9	40.1 Å²	40.1	5%	0.046	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	121.4	167.8	-55	164.8	0	0	0	108.5	T870 Y871 I872 V896 V898 R990 V998	T870-I996 PolarHBondContact O-N 2.98Å; Y871-I996 CarbonylContact C-O 3.52Å; Y871-I996 WeakPolarHBondContact CA-O 3.3Å; Y871-I996 HydrophobicContact CD1-CB 4.16Å; Y871-I996 HydrophobicContact CD1-CD1 4.11Å; Y871-I996 HydrophobicContact CE1-CD1 4.01Å; I872-I996 PolarHBondContact N-O 3.28Å; V896-I996 HydrophobicContact CB-CG2 4.41Å; V896-I996 HydrophobicContact CG1-CG2 4.18Å; V898-I996 HydrophobicContact CG2-CG2 3.74Å; R990-I996 VanDerWaalsContact NH2-CD1 3.28Å; I996-V998 HydrophobicContact CG2-CG2 3.9Å
997	I	98.3	Very high	87.8	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	124.8	169.6	-71.2	166.6	0	0	0	108.3	I872 F885 M888 V889 C894 V896 I897 V898	I872-I997 HydrophobicContact CB-CG1 4Å; I872-I997 HydrophobicContact CD1-CG1 4.32Å; I872-I997 HydrophobicContact CG2-CG1 4.37Å; I872-I997 WeakPolarHBondContact O-CA 3.36Å; F885-I997 HydrophobicContact CE2-CG2 3.94Å; F885-I997 HydrophobicContact CZ-CG2 4.01Å; M888-I997 HydrophobicContact CE-CD1 4.07Å; M888-I997 HydrophobicContact CE-CG1 4.46Å; M888-I997 HydrophobicContact CE-CG2 4.32Å; M888-I997 HydrophobicContact CG-CD1 4.44Å; V889-I997 HydrophobicContact CB-CD1 4.26Å; V889-I997 HydrophobicContact CG2-CD1 3.59Å; C894-I997 HydrophobicContact CB-CD1 3.65Å; C894-I997 HydrophobicContact CB-CG1 4.07Å; C894-I997 VanDerWaalsContact SG-CD1 3.6Å; V896-I997 PolarHBondContact O-N 2.91Å; V896-I997 VanDerWaalsContact O-N 3.1Å; I897-I997 CarbonylContact C-O 3.53Å; I897-I997 WeakPolarHBondContact CA-O 3.21Å; I897-I997 HydrophobicContact CG1-CB 4.4Å; I897-I997 HydrophobicContact CG2-CG2 4.34Å; V898-I997 PolarHBondContact N-O 2.83Å
998	V	98.4	Very high	88.2	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	120.6	179	-173.5	0	0	0	0	109.2	Y871 I872 A874 V898 L900 I996 S1007 Y1010 I1011	Y871-V998 HydrophobicContact CD1-CG2 4.25Å; I872-V998 PolarHBondContact O-N 3.04Å; A874-V998 PolarHBondContact N-O 2.95Å; V898-V998 HydrophobicContact CB-CG1 4.31Å; V898-V998 HydrophobicContact CB-CG2 4.25Å; V898-V998 HydrophobicContact CG1-CG1 4.23Å; V898-V998 WeakPolarHBondContact O-CA 3.47Å; L900-V998 HydrophobicContact CD1-CG1 3.79Å; I996-V998 HydrophobicContact CG2-CG2 3.9Å; V998-S1007 PolarHBondContact O-OG 2.87Å; V998-Y1010 HydrophobicContact CG1-CD1 3.88Å; V998-Y1010 HydrophobicContact CG2-CD1 4.33Å; V998-Y1010 HydrophobicContact CG2-CE1 4.41Å; V998-I1011 HydrophobicContact CB-CD1 4.01Å; V998-I1011 HydrophobicContact CB-CG1 4.26Å; V998-I1011 HydrophobicContact CG1-CD1 4.3Å; V998-I1011 HydrophobicContact CG1-CG1 4.26Å; V998-I1011 HydrophobicContact CG2-CD1 4.19Å; V998-I1011 HydrophobicContact CG2-CG1 4.06Å
999	H	98.3	Very high	88.8	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	151	178.9	82.2	88.6	0	0	0	113.4	A874 G876 V898 M899 L900 C911 Y914 S1007	A874-H999 HydrophobicContact CB-CB 4.42Å; A874-H999 VanDerWaalsContact O-CA 3.26Å; A874-H999 WeakPolarHBondContact O-CA 3.43Å; A874-H999 WeakPolarHBondContact O-CB 3.41Å; G876-H999 WeakPolarHBondContact CA-CE1 3.32Å; G876-H999 PolarHBondContact N-CE1 3.08Å; V898-H999 PolarHBondContact O-N 2.93Å; M899-H999 WeakPolarHBondContact CE-NE2 3.4Å; M899-H999 WeakPolarHBondContact CG-NE2 3.43Å; M899-H999 PolarHBondContact SD-NE2 2.87Å; L900-H999 PolarHBondContact N-O 2.86Å; C911-H999 PolarHBondContact SG-NE2 2.92Å; Y914-H999 AromaticContact CE1-NE2 3.48Å; Y914-H999 WeakPolarHBondContact CE1-NE2 3.44Å; H999-S1007 VanDerWaalsContact C-OG 3.31Å; H999-S1007 VanDerWaalsContact CA-OG 3.28Å; H999-S1007 WeakPolarHBondContact CA-OG 3.21Å
1000	C	94.8	Very high	90.2	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.007	12%	0.124	C	C	.	.	S	Bend	trans	-124.4	-129.5	165.4	52.3	0	0	0	0	108	G876 L900 T901 D1002 G1003 R1006 S1007	G876-C1000 WeakPolarHBondContact CA-O 3.4Å; G876-C1000 PolarHBondContact N-O 3.43Å; L900-C1000 HydrophobicContact CB-CB 4.23Å; T901-C1000 HydrophobicContact CG2-CB 4.5Å; T901-C1000 WeakPolarHBondContact CG2-O 3.09Å; C1000-D1002 PolarHBondContact SG-OD1 2.82Å; C1000-G1003 PolarHBondContact SG-N 3.08Å; C1000-R1006 HydrophobicContact CB-CB 3.77Å; C1000-S1007 PolarHBondContact N-OG 2.88Å; C1000-S1007 PolarHBondContact SG-N 2.89Å
1001	S	94.8	Very high	91.4	Very high	16 Å²	16	22 Å²	22	11%	0.112	11%	0.113	C	C	.	.	S	Bend	trans	-80.3	-76.8	169.1	-171.5	0	0	0	0	109.7	R830 Q875 G876 Q910 G1003	R830-S1001 VanDerWaalsContact CD-O 3.31Å; R830-S1001 WeakPolarHBondContact CD-O 3.28Å; Q875-S1001 CarbonylContact C-O 3.53Å; Q875-S1001 WeakPolarHBondContact CA-O 3.46Å; Q875-S1001 WeakPolarHBondContact CB-O 3.09Å; G876-S1001 PolarHBondContact N-O 2.9Å; Q910-S1001 PolarHBondContact O-OG 3.09Å; Q910-S1001 PolarHBondContact OE1-OG 2.87Å; S1001-G1003 VanDerWaalsContact C-N 3.35Å; S1001-G1003 PolarHBondContact O-N 2.9Å
1002	D	93.7	Very high	92.9	Very high	26 Å²	26	20.9 Å²	20.9	14%	0.139	10%	0.102	C	C	.	.	S	Bend	trans	-69.7	-21.8	174.9	47	44.1	0	0	0	115.7	V834 C1000 A1004 G1005 R1040 Q1045	V834-D1002 HydrophobicContact CB-CB 4.03Å; V834-D1002 HydrophobicContact CG1-CB 4.18Å; V834-D1002 HydrophobicContact CG2-CB 3.91Å; C1000-D1002 PolarHBondContact SG-OD1 2.82Å; D1002-A1004 PolarHBondContact OD1-N 2.74Å; D1002-G1005 PolarHBondContact OD1-N 2.93Å; D1002-G1005 VanDerWaalsContact OD1-N 3.12Å; D1002-R1040 PolarHBondContact O-NH2 3.43Å; D1002-Q1045 VanDerWaalsContact CG-NE2 3.31Å; D1002-Q1045 PolarHBondContact OD2-NE2 3.49Å; D1002-Q1045 PolarHBondContact OD2-OE1 3.38Å
1003	G	95.1	Very high	94.5	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	6%	0.058	C	C	.	.	S	Bend	trans	77.2	20.6	-173	0	0	0	0	0	115	A874 C1000 S1001 S1007 R1040	A874-G1003 WeakPolarHBondContact O-CA 3.24Å; C1000-G1003 PolarHBondContact SG-N 3.08Å; S1001-G1003 VanDerWaalsContact C-N 3.35Å; S1001-G1003 PolarHBondContact O-N 2.9Å; G1003-S1007 WeakPolarHBondContact O-CB 3.24Å; G1003-R1040 PolarHBondContact O-NE 3.25Å
1004	A	94.9	Very high	95.7	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.032	C	C	.	.	S	Bend	trans	-130.9	-46.5	-177	0	0	0	0	0	113.6	V834 D1002 G1008 M1043 V1044	V834-A1004 HydrophobicContact CG1-CB 3.59Å; V834-A1004 HydrophobicContact CG2-CB 4.22Å; D1002-A1004 PolarHBondContact OD1-N 2.74Å; A1004-G1008 VanDerWaalsContact O-CA 3.24Å; A1004-G1008 WeakPolarHBondContact O-CA 3.02Å; A1004-G1008 PolarHBondContact O-N 3.46Å; A1004-M1043 WeakPolarHBondContact O-CA 3.28Å; A1004-V1044 PolarHBondContact O-N 3.05Å
1005	G	94.1	Very high	96	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-66.8	-76.7	-178.9	0	0	0	0	0	112.5	D1002 G1008 T1009 Q1049	D1002-G1005 PolarHBondContact OD1-N 2.93Å; D1002-G1005 VanDerWaalsContact OD1-N 3.12Å; G1005-G1008 PolarHBondContact O-N 3.07Å; G1005-T1009 WeakPolarHBondContact O-CB 3.44Å; G1005-T1009 PolarHBondContact O-N 3.39Å; G1005-T1009 PolarHBondContact O-OG1 2.79Å; G1005-Q1049 PolarHBondContact O-OE1 3.39Å
1006	R	95.1	Very high	96	Very high	18 Å²	18	3.6 Å²	3.6	7%	0.068	2%	0.019	C	C	.	.	H	α-helix	trans	-67.6	-39.3	-179.4	-61.1	179.8	-104.7	176.3	-15.6	112.1	L900 T901 E905 W966 C1000 T1009 Y1010	L900-R1006 HydrophobicContact CB-CB 4.22Å; L900-R1006 WeakPolarHBondContact O-CD 3.26Å; L900-R1006 PolarHBondContact O-NH1 2.69Å; L900-R1006 VanDerWaalsContact O-NH1 3.11Å; T901-R1006 VanDerWaalsContact CB-NH1 3.32Å; T901-R1006 PolarHBondContact OG1-NH1 3.13Å; E905-R1006 VanDerWaalsContact CD-NH2 3.26Å; E905-R1006 IonicContact OE1-CZ 2.71Å; E905-R1006 VanDerWaalsContact OE1-CZ 3.26Å; E905-R1006 IonicContact OE1-NH1 3.55Å; E905-R1006 PolarHBondContact OE1-NH1 3.17Å; E905-R1006 IonicContact OE1-NH2 3.77Å; E905-R1006 PolarHBondContact OE1-NH2 3.29Å; E905-R1006 IonicContact OE2-CZ 3.84Å; E905-R1006 IonicContact OE2-NH1 2.8Å; E905-R1006 IonicContact OE2-NH2 3.58Å; E905-R1006 PolarHBondContact OE2-NH2 3.36Å; W966-R1006 HydrophobicContact CD2-CB 4.24Å; W966-R1006 HydrophobicContact CD2-CG 3.89Å; W966-R1006 HydrophobicContact CE3-CB 4.32Å; W966-R1006 HydrophobicContact CE3-CG 4.48Å; W966-R1006 HydrophobicContact CG-CG 4.27Å; W966-R1006 HydrophobicContact CH2-CB 4.29Å; W966-R1006 HydrophobicContact CZ2-CB 4.17Å; W966-R1006 HydrophobicContact CZ2-CG 3.9Å; W966-R1006 HydrophobicContact CZ3-CB 4.34Å; W966-R1006 PolarHBondContact O-NH1 3.42Å; C1000-R1006 HydrophobicContact CB-CB 3.77Å; R1006-T1009 PolarHBondContact O-N 3.49Å; R1006-Y1010 WeakPolarHBondContact O-CB 3.22Å; R1006-Y1010 PolarHBondContact O-N 3.12Å
1007	S	96.8	Very high	95.8	Very high	0 Å²	0	3.5 Å²	3.5	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-57.9	-49.6	171.9	-70.4	0	0	0	0	112.6	V998 H999 C1000 G1003 T1009 Y1010 I1011	V998-S1007 PolarHBondContact O-OG 2.87Å; H999-S1007 VanDerWaalsContact C-OG 3.31Å; H999-S1007 VanDerWaalsContact CA-OG 3.28Å; H999-S1007 WeakPolarHBondContact CA-OG 3.21Å; C1000-S1007 PolarHBondContact N-OG 2.88Å; C1000-S1007 PolarHBondContact SG-N 2.89Å; G1003-S1007 WeakPolarHBondContact O-CB 3.24Å; S1007-T1009 VanDerWaalsContact C-N 3.33Å; S1007-T1009 PolarHBondContact O-N 2.88Å; S1007-Y1010 PolarHBondContact O-N 3.16Å; S1007-I1011 WeakPolarHBondContact O-CB 3.46Å; S1007-I1011 VanDerWaalsContact O-CG1 3.26Å; S1007-I1011 WeakPolarHBondContact O-CG1 3.02Å; S1007-I1011 PolarHBondContact O-N 2.99Å
1008	G	96.8	Very high	95.4	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-64.1	-39.4	179.6	0	0	0	0	0	112	A1004 G1005 I1011 L1012	A1004-G1008 VanDerWaalsContact O-CA 3.24Å; A1004-G1008 WeakPolarHBondContact O-CA 3.02Å; A1004-G1008 PolarHBondContact O-N 3.46Å; G1005-G1008 PolarHBondContact O-N 3.07Å; G1008-I1011 PolarHBondContact O-N 3.43Å; G1008-L1012 WeakPolarHBondContact O-CB 3.43Å; G1008-L1012 PolarHBondContact O-N 2.63Å
1009	T	97.1	Very high	94.9	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-62.6	-46.5	176.5	-51.2	0	0	0	0	111.6	W966 G1005 R1006 S1007 L1012 I1013 Q1049 F1052 A1053	W966-T1009 HydrophobicContact CH2-CG2 3.71Å; W966-T1009 HydrophobicContact CZ2-CG2 4.08Å; G1005-T1009 WeakPolarHBondContact O-CB 3.44Å; G1005-T1009 PolarHBondContact O-N 3.39Å; G1005-T1009 PolarHBondContact O-OG1 2.79Å; R1006-T1009 PolarHBondContact O-N 3.49Å; S1007-T1009 VanDerWaalsContact C-N 3.33Å; S1007-T1009 PolarHBondContact O-N 2.88Å; T1009-L1012 PolarHBondContact O-N 3.36Å; T1009-I1013 HydrophobicContact CG2-CD1 4.15Å; T1009-I1013 WeakPolarHBondContact O-CD1 3.48Å; T1009-I1013 VanDerWaalsContact O-CG1 3.27Å; T1009-I1013 WeakPolarHBondContact O-CG1 3.38Å; T1009-I1013 PolarHBondContact O-N 2.78Å; T1009-I1013 VanDerWaalsContact O-N 3.09Å; T1009-Q1049 HydrophobicContact CG2-CB 4.34Å; T1009-Q1049 WeakPolarHBondContact CG2-O 3.43Å; T1009-Q1049 WeakPolarHBondContact OG1-CB 3.17Å; T1009-F1052 HydrophobicContact CG2-CD1 4.11Å; T1009-A1053 HydrophobicContact CG2-CB 4.37Å
1010	Y	97.4	Very high	94.3	Very high	2 Å²	2	8.4 Å²	8.4	1%	0.008	4%	0.04	C	C	.	.	H	α-helix	trans	-64.4	-44.3	176.1	178.8	-95	0	0	0	112.7	V898 L900 L978 F981 R982 V985 V998 R1006 S1007 I1013 D1014	V898-Y1010 HydrophobicContact CG1-CD1 4.28Å; V898-Y1010 HydrophobicContact CG1-CE1 3.97Å; V898-Y1010 HydrophobicContact CG2-CE1 4.35Å; L900-Y1010 VanDerWaalsContact CD1-CB 3.48Å; L900-Y1010 HydrophobicContact CD1-CD1 4.39Å; L900-Y1010 HydrophobicContact CD1-CG 3.9Å; L900-Y1010 HydrophobicContact CD2-CD2 4.28Å; L900-Y1010 HydrophobicContact CD2-CG 4.43Å; L978-Y1010 HydrophobicContact CD1-CD2 4.08Å; L978-Y1010 HydrophobicContact CG-CD2 4.43Å; F981-Y1010 AromaticContact CD1-CE2 3.96Å; F981-Y1010 HydrophobicContact CD1-CE2 3.96Å; F981-Y1010 AromaticContact CE1-CE2 3.95Å; F981-Y1010 HydrophobicContact CE1-CE2 3.95Å; R982-Y1010 HydrophobicContact CB-CE2 4.22Å; V985-Y1010 WeakPolarHBondContact CB-OH 3.44Å; V985-Y1010 VanDerWaalsContact CG1-OH 3.31Å; V985-Y1010 WeakPolarHBondContact CG1-OH 3.22Å; V998-Y1010 HydrophobicContact CG1-CD1 3.88Å; V998-Y1010 HydrophobicContact CG2-CD1 4.33Å; V998-Y1010 HydrophobicContact CG2-CE1 4.41Å; R1006-Y1010 WeakPolarHBondContact O-CB 3.22Å; R1006-Y1010 PolarHBondContact O-N 3.12Å; S1007-Y1010 PolarHBondContact O-N 3.16Å; Y1010-I1013 PolarHBondContact O-N 3.04Å; Y1010-D1014 WeakPolarHBondContact O-CB 3.26Å; Y1010-D1014 PolarHBondContact O-N 2.97Å
1011	I	97.9	Very high	93.8	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-64.6	-39.9	178	-71.2	166.8	0	0	0	110.9	I861 Y871 A873 V998 S1007 G1008 D1014 M1015 L1036 M1043	I861-I1011 HydrophobicContact CG2-CG2 4.26Å; Y871-I1011 HydrophobicContact CD1-CG1 4.21Å; Y871-I1011 HydrophobicContact CD2-CG2 3.9Å; Y871-I1011 HydrophobicContact CE2-CG2 4.06Å; Y871-I1011 HydrophobicContact CG-CD1 4.42Å; Y871-I1011 HydrophobicContact CG-CG1 4.15Å; Y871-I1011 HydrophobicContact CG-CG2 4.29Å; A873-I1011 HydrophobicContact CB-CD1 3.95Å; V998-I1011 HydrophobicContact CB-CD1 4.01Å; V998-I1011 HydrophobicContact CB-CG1 4.26Å; V998-I1011 HydrophobicContact CG1-CD1 4.3Å; V998-I1011 HydrophobicContact CG1-CG1 4.26Å; V998-I1011 HydrophobicContact CG2-CD1 4.19Å; V998-I1011 HydrophobicContact CG2-CG1 4.06Å; S1007-I1011 WeakPolarHBondContact O-CB 3.46Å; S1007-I1011 VanDerWaalsContact O-CG1 3.26Å; S1007-I1011 WeakPolarHBondContact O-CG1 3.02Å; S1007-I1011 PolarHBondContact O-N 2.99Å; G1008-I1011 PolarHBondContact O-N 3.43Å; I1011-D1014 PolarHBondContact O-N 3.37Å; I1011-M1015 HydrophobicContact CG2-CE 4.31Å; I1011-M1015 WeakPolarHBondContact O-CB 3.38Å; I1011-M1015 PolarHBondContact O-N 2.78Å; I1011-L1036 HydrophobicContact CG2-CD1 4.19Å; I1011-L1036 HydrophobicContact CG2-CD2 3.64Å; I1011-M1043 HydrophobicContact CB-CE 4.48Å; I1011-M1043 HydrophobicContact CD1-CE 4.03Å; I1011-M1043 HydrophobicContact CG2-CE 4.45Å
1012	L	97.4	Very high	93.3	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-61.2	-50.9	176.4	-179	60.7	0	0	0	111.1	G1008 T1009 D1014 M1015 V1016 I1029 T1032 L1033 L1036 V1044 F1050 A1053	G1008-L1012 WeakPolarHBondContact O-CB 3.43Å; G1008-L1012 PolarHBondContact O-N 2.63Å; T1009-L1012 PolarHBondContact O-N 3.36Å; L1012-D1014 PolarHBondContact O-N 3.29Å; L1012-M1015 PolarHBondContact O-N 2.73Å; L1012-V1016 HydrophobicContact CD1-CG2 4.13Å; L1012-V1016 VanDerWaalsContact O-CB 3.3Å; L1012-V1016 WeakPolarHBondContact O-CB 3.24Å; L1012-V1016 VanDerWaalsContact O-CG2 3.25Å; L1012-V1016 WeakPolarHBondContact O-CG2 3.4Å; L1012-V1016 PolarHBondContact O-N 3.15Å; L1012-I1029 HydrophobicContact CD1-CG1 3.9Å; L1012-I1029 HydrophobicContact CD2-CD1 4.29Å; L1012-I1029 HydrophobicContact CD2-CG1 3.97Å; L1012-I1029 HydrophobicContact CG-CD1 4.33Å; L1012-I1029 HydrophobicContact CG-CG1 4.02Å; L1012-T1032 HydrophobicContact CD1-CG2 3.7Å; L1012-L1033 HydrophobicContact CD1-CB 4.3Å; L1012-L1033 HydrophobicContact CD2-CB 4.29Å; L1012-L1033 HydrophobicContact CD2-CD1 4.38Å; L1012-L1033 HydrophobicContact CD2-CD2 4.4Å; L1012-L1036 HydrophobicContact CB-CD1 3.87Å; L1012-L1036 HydrophobicContact CD1-CD1 4.09Å; L1012-V1044 HydrophobicContact CD2-CG2 4.04Å; L1012-F1050 HydrophobicContact CD2-CD2 4.25Å; L1012-F1050 HydrophobicContact CD2-CE2 4.48Å; L1012-A1053 HydrophobicContact CD2-CB 3.92Å; L1012-A1053 HydrophobicContact CG-CB 4.45Å
1013	I	96.3	Very high	92.7	Very high	3 Å²	3	15.2 Å²	15.2	2%	0.015	8%	0.083	C	C	.	.	H	α-helix	trans	-57.7	-48	176.3	-66.8	163.5	0	0	0	110.5	L978 L979 T1009 Y1010 L1017 F1052 A1053 A1056	L978-I1013 HydrophobicContact CD2-CD1 4.02Å; L979-I1013 HydrophobicContact CD2-CG2 4.33Å; T1009-I1013 HydrophobicContact CG2-CD1 4.15Å; T1009-I1013 WeakPolarHBondContact O-CD1 3.48Å; T1009-I1013 VanDerWaalsContact O-CG1 3.27Å; T1009-I1013 WeakPolarHBondContact O-CG1 3.38Å; T1009-I1013 PolarHBondContact O-N 2.78Å; T1009-I1013 VanDerWaalsContact O-N 3.09Å; Y1010-I1013 PolarHBondContact O-N 3.04Å; I1013-L1017 HydrophobicContact CG2-CD1 3.66Å; I1013-L1017 WeakPolarHBondContact O-CB 3.33Å; I1013-L1017 WeakPolarHBondContact O-CD1 3.49Å; I1013-L1017 VanDerWaalsContact O-CG 3.23Å; I1013-L1017 WeakPolarHBondContact O-CG 3.32Å; I1013-L1017 PolarHBondContact O-N 2.86Å; I1013-F1052 HydrophobicContact CD1-CD1 4.31Å; I1013-F1052 HydrophobicContact CD1-CE1 4.09Å; I1013-A1053 HydrophobicContact CD1-CB 4.34Å; I1013-A1053 HydrophobicContact CG1-CB 3.88Å; I1013-A1056 HydrophobicContact CD1-CB 3.79Å; I1013-A1056 HydrophobicContact CG1-CB 4.17Å; I1013-A1056 HydrophobicContact CG2-CB 4.32Å
1014	D	95.8	Very high	92.2	Very high	1 Å²	1	17 Å²	17	1%	0.005	10%	0.097	C	C	.	.	H	α-helix	trans	-68.9	-43.6	-177.8	-171.9	52.2	0	0	0	113.1	Y871 R982 N986 Y1010 I1011 L1012 L1017 N1018	Y871-D1014 VanDerWaalsContact CE1-OD2 3.24Å; Y871-D1014 WeakPolarHBondContact CE1-OD2 3.25Å; Y871-D1014 PolarHBondContact OH-OD2 3.14Å; R982-D1014 IonicContact CZ-OD1 3.41Å; R982-D1014 IonicContact NE-OD1 2.76Å; R982-D1014 PolarHBondContact NE-OD1 3.17Å; R982-D1014 IonicContact NH2-OD1 3.22Å; R982-D1014 PolarHBondContact NH2-OD1 2.87Å; N986-D1014 PolarHBondContact ND2-OD1 2.93Å; Y1010-D1014 WeakPolarHBondContact O-CB 3.26Å; Y1010-D1014 PolarHBondContact O-N 2.97Å; I1011-D1014 PolarHBondContact O-N 3.37Å; L1012-D1014 PolarHBondContact O-N 3.29Å; D1014-L1017 PolarHBondContact O-N 3.45Å; D1014-N1018 WeakPolarHBondContact O-CB 3.34Å; D1014-N1018 PolarHBondContact O-N 2.94Å; D1014-N1018 PolarHBondContact O-ND2 3.48Å; D1014-N1018 VanDerWaalsContact O-ND2 3.08Å; D1014-N1018 PolarHBondContact OD1-ND2 2.8Å; D1014-N1018 VanDerWaalsContact OD1-ND2 3.15Å; D1014-N1018 PolarHBondContact OD2-ND2 2.94Å
1015	M	94.1	Very high	91	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-62.2	-46.1	178.2	-174.9	-179.3	-69.4	0	0	111.1	I861 D863 Y871 I1011 L1012 N1018 R1019 T1032 L1036	I861-M1015 HydrophobicContact CG2-CE 3.86Å; D863-M1015 HydrophobicContact CB-CE 4.17Å; D863-M1015 HydrophobicContact CB-CG 4.49Å; Y871-M1015 HydrophobicContact CD2-CE 4.41Å; Y871-M1015 HydrophobicContact CE2-CE 3.98Å; I1011-M1015 HydrophobicContact CG2-CE 4.31Å; I1011-M1015 WeakPolarHBondContact O-CB 3.38Å; I1011-M1015 PolarHBondContact O-N 2.78Å; L1012-M1015 PolarHBondContact O-N 2.73Å; M1015-N1018 PolarHBondContact O-N 3.31Å; M1015-R1019 WeakPolarHBondContact O-CB 3.14Å; M1015-R1019 VanDerWaalsContact O-CG 3.27Å; M1015-R1019 WeakPolarHBondContact O-CG 3.49Å; M1015-R1019 PolarHBondContact O-N 2.72Å; M1015-T1032 HydrophobicContact CG-CG2 4.34Å; M1015-T1032 HydrophobicContact SD-CG2 3.8Å; M1015-L1036 HydrophobicContact CE-CD2 3.71Å; M1015-L1036 HydrophobicContact SD-CD2 4.36Å
1016	V	93.4	Very high	89.9	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-61	-49.8	177.1	167	0	0	0	0	111.3	L1012 N1018 R1019 M1020 I1027 I1029 T1032 V1057	L1012-V1016 HydrophobicContact CD1-CG2 4.13Å; L1012-V1016 VanDerWaalsContact O-CB 3.3Å; L1012-V1016 WeakPolarHBondContact O-CB 3.24Å; L1012-V1016 VanDerWaalsContact O-CG2 3.25Å; L1012-V1016 WeakPolarHBondContact O-CG2 3.4Å; L1012-V1016 PolarHBondContact O-N 3.15Å; V1016-N1018 VanDerWaalsContact C-N 3.32Å; V1016-N1018 PolarHBondContact O-N 3.11Å; V1016-R1019 WeakPolarHBondContact O-CB 3.47Å; V1016-R1019 PolarHBondContact O-N 2.87Å; V1016-R1019 VanDerWaalsContact O-N 3.16Å; V1016-M1020 HydrophobicContact CG1-CE 3.71Å; V1016-M1020 WeakPolarHBondContact O-CG 3.36Å; V1016-M1020 PolarHBondContact O-N 2.82Å; V1016-I1027 HydrophobicContact CG1-CG2 3.82Å; V1016-I1029 HydrophobicContact CG2-CG1 4.24Å; V1016-T1032 HydrophobicContact CG2-CG2 4.03Å; V1016-V1057 HydrophobicContact CB-CG2 4.25Å; V1016-V1057 HydrophobicContact CG1-CG1 3.85Å; V1016-V1057 HydrophobicContact CG1-CG2 3.78Å
1017	L	91.5	Very high	89.4	Confident	6 Å²	6	32.3 Å²	32.3	3%	0.031	17%	0.168	C	C	.	.	H	α-helix	trans	-68.1	-30.8	179.9	-68.1	169.7	0	0	0	112.7	L979 R982 I1013 D1014 M1020 A1021 V1057 E1060	L979-L1017 HydrophobicContact CD2-CD1 4Å; R982-L1017 VanDerWaalsContact CZ-CB 3.49Å; I1013-L1017 HydrophobicContact CG2-CD1 3.66Å; I1013-L1017 WeakPolarHBondContact O-CB 3.33Å; I1013-L1017 WeakPolarHBondContact O-CD1 3.49Å; I1013-L1017 VanDerWaalsContact O-CG 3.23Å; I1013-L1017 WeakPolarHBondContact O-CG 3.32Å; I1013-L1017 PolarHBondContact O-N 2.86Å; D1014-L1017 PolarHBondContact O-N 3.45Å; L1017-M1020 HydrophobicContact CD2-SD 3.86Å; L1017-M1020 PolarHBondContact O-N 3.01Å; L1017-A1021 PolarHBondContact O-N 2.86Å; L1017-V1057 HydrophobicContact CD2-CG1 4.24Å; L1017-V1057 HydrophobicContact CD2-CG2 4.46Å; L1017-V1057 HydrophobicContact CG-CG2 4.27Å; L1017-E1060 HydrophobicContact CD1-CB 3.96Å; L1017-E1060 HydrophobicContact CD1-CG 3.95Å; L1017-E1060 HydrophobicContact CD2-CB 3.79Å; L1017-E1060 HydrophobicContact CD2-CG 3.91Å
1018	N	89.6	Confident	89	Confident	41 Å²	41	35.6 Å²	35.6	22%	0.219	19%	0.186	C	C	.	.	H	α-helix	trans	-72	-33.5	172.3	-70.5	-24.8	0	0	0	112	Y871 R982 D1014 M1015 V1016 K1022	Y871-N1018 PolarHBondContact OH-ND2 2.84Å; R982-N1018 PolarHBondContact NH2-OD1 2.85Å; D1014-N1018 WeakPolarHBondContact O-CB 3.34Å; D1014-N1018 PolarHBondContact O-N 2.94Å; D1014-N1018 PolarHBondContact O-ND2 3.48Å; D1014-N1018 VanDerWaalsContact O-ND2 3.08Å; D1014-N1018 PolarHBondContact OD1-ND2 2.8Å; D1014-N1018 VanDerWaalsContact OD1-ND2 3.15Å; D1014-N1018 PolarHBondContact OD2-ND2 2.94Å; M1015-N1018 PolarHBondContact O-N 3.31Å; V1016-N1018 VanDerWaalsContact C-N 3.32Å; V1016-N1018 PolarHBondContact O-N 3.11Å; N1018-K1022 WeakPolarHBondContact O-CD 3.38Å; N1018-K1022 WeakPolarHBondContact O-CG 3.39Å; N1018-K1022 PolarHBondContact O-N 3.46Å; N1018-K1022 VanDerWaalsContact O-N 3.16Å
1019	R	88.6	Confident	88.8	Confident	54 Å²	54	35.6 Å²	35.6	20%	0.204	19%	0.186	C	C	.	.	H	α-helix	trans	-65.1	-42.5	170.7	-73.6	169.1	179.1	-165.9	-6.4	111.1	D863 M1015 V1016 K1022 G1023 A1024 T1032	D863-R1019 PolarHBondContact O-NH2 3.26Å; D863-R1019 VanDerWaalsContact O-NH2 3.1Å; D863-R1019 IonicContact OD1-CZ 3Å; D863-R1019 IonicContact OD1-NE 3.3Å; D863-R1019 PolarHBondContact OD1-NE 3.33Å; D863-R1019 IonicContact OD1-NH2 3.38Å; D863-R1019 PolarHBondContact OD1-NH2 2.86Å; M1015-R1019 WeakPolarHBondContact O-CB 3.14Å; M1015-R1019 VanDerWaalsContact O-CG 3.27Å; M1015-R1019 WeakPolarHBondContact O-CG 3.49Å; M1015-R1019 PolarHBondContact O-N 2.72Å; V1016-R1019 WeakPolarHBondContact O-CB 3.47Å; V1016-R1019 PolarHBondContact O-N 2.87Å; V1016-R1019 VanDerWaalsContact O-N 3.16Å; R1019-K1022 PolarHBondContact O-N 3.34Å; R1019-G1023 PolarHBondContact O-N 3.47Å; R1019-A1024 HydrophobicContact CB-CB 4.1Å; R1019-A1024 VanDerWaalsContact O-CB 3.25Å; R1019-A1024 WeakPolarHBondContact O-CB 3.23Å; R1019-A1024 PolarHBondContact O-N 2.85Å; R1019-T1032 PolarHBondContact NH1-OG1 2.71Å
1020	M	85.3	Confident	88.6	Confident	8 Å²	8	36.2 Å²	36.2	4%	0.039	19%	0.191	C	C	.	.	H	α-helix	trans	-57.6	-50.5	172	-68.1	177.7	-178	0	0	112.3	I786 V1016 L1017 K1022 G1023 I1027 V1057 V1061	I786-M1020 HydrophobicContact CD1-CE 4.3Å; I786-M1020 HydrophobicContact CD1-CG 4.27Å; I786-M1020 HydrophobicContact CG2-CE 3.37Å; I786-M1020 HydrophobicContact CG2-SD 4.19Å; V1016-M1020 HydrophobicContact CG1-CE 3.71Å; V1016-M1020 WeakPolarHBondContact O-CG 3.36Å; V1016-M1020 PolarHBondContact O-N 2.82Å; L1017-M1020 HydrophobicContact CD2-SD 3.86Å; L1017-M1020 PolarHBondContact O-N 3.01Å; M1020-K1022 PolarHBondContact O-N 3.15Å; M1020-G1023 PolarHBondContact O-N 3.04Å; M1020-I1027 HydrophobicContact CB-CD1 4.25Å; M1020-I1027 HydrophobicContact CE-CD1 3.66Å; M1020-I1027 HydrophobicContact CE-CG2 4.29Å; M1020-I1027 HydrophobicContact CG-CD1 3.15Å; M1020-I1027 HydrophobicContact SD-CD1 4.29Å; M1020-V1057 HydrophobicContact CE-CG1 3.4Å; M1020-V1057 VanDerWaalsContact CE-CG1 3.4Å; M1020-V1057 HydrophobicContact SD-CG1 4.22Å; M1020-V1061 HydrophobicContact CE-CG2 4.06Å; M1020-V1061 HydrophobicContact SD-CG2 3.39Å; M1020-V1061 WeakPolarHBondContact SD-CG2 3.38Å
1021	A	84.2	Confident	88.4	Confident	33 Å²	33	38.2 Å²	38.2	27%	0.273	21%	0.208	S	C	.	.	H	α-helix	trans	-62.9	-28.3	-178.8	0	0	0	0	0	113.5	L1017 G1023	L1017-A1021 PolarHBondContact O-N 2.86Å; A1021-G1023 VanDerWaalsContact C-N 3.3Å
1022	K	84.3	Confident	88.3	Confident	118 Å²	118	38.5 Å²	38.5	51%	0.513	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-7.7	172.5	-68.5	167.1	-167.9	-177.7	0	113.9	D863 H864 N1018 R1019 M1020	D863-K1022 IonicContact OD2-NZ 2.71Å; D863-K1022 PolarHBondContact OD2-NZ 3.29Å; H864-K1022 PolarHBondContact CE1-NZ 3.03Å; H864-K1022 VanDerWaalsContact CE1-NZ 3.31Å; H864-K1022 PolarHBondContact ND1-NZ 3.47Å; H864-K1022 VanDerWaalsContact ND1-NZ 3.13Å; N1018-K1022 WeakPolarHBondContact O-CD 3.38Å; N1018-K1022 WeakPolarHBondContact O-CG 3.39Å; N1018-K1022 PolarHBondContact O-N 3.46Å; N1018-K1022 VanDerWaalsContact O-N 3.16Å; R1019-K1022 PolarHBondContact O-N 3.34Å; M1020-K1022 PolarHBondContact O-N 3.15Å
1023	G	81.8	Confident	88.3	Confident	36 Å²	36	38.5 Å²	38.5	37%	0.371	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.1	23.7	179.5	0	0	0	0	0	115.4	R1019 M1020 A1021 K1025	R1019-G1023 PolarHBondContact O-N 3.47Å; M1020-G1023 PolarHBondContact O-N 3.04Å; A1021-G1023 VanDerWaalsContact C-N 3.3Å; G1023-K1025 PolarHBondContact O-N 3.44Å
1024	A	83.1	Confident	88.3	Confident	36 Å²	36	41.6 Å²	41.6	30%	0.298	22%	0.224	S	C	.	.			trans	-64.5	123.9	168.8	0	0	0	0	0	110.3	R1019 I1027	R1019-A1024 HydrophobicContact CB-CB 4.1Å; R1019-A1024 VanDerWaalsContact O-CB 3.25Å; R1019-A1024 WeakPolarHBondContact O-CB 3.23Å; R1019-A1024 PolarHBondContact O-N 2.85Å; A1024-I1027 HydrophobicContact CB-CD1 4.32Å; A1024-I1027 HydrophobicContact CB-CG1 4.25Å
1025	K	70.4	Confident	88.2	Confident	141 Å²	141	44.3 Å²	44.3	61%	0.613	24%	0.237	S	C	*	.	S	Bend	trans	-89.3	-27.5	-175.1	-63.9	-172.2	175.2	-170.5	0	114.2	M785 G1023	M785-K1025 VanDerWaalsContact CE-O 3.32Å; M785-K1025 WeakPolarHBondContact CE-O 3.44Å; G1023-K1025 PolarHBondContact O-N 3.44Å
1026	E	71.7	Confident	88.4	Confident	178 Å²	178	44.3 Å²	44.3	83%	0.832	24%	0.237	S	C	*	.			trans	-120.2	129.4	179.9	-70.8	169	-160.5	0	0	107.2
1027	I	83	Confident	88.6	Confident	21 Å²	21	45.5 Å²	45.5	11%	0.108	24%	0.241	C	C	.	.			trans	-140.8	108.2	-173.1	-68.1	-177.4	0	0	0	108.2	I786 Y789 V1016 M1020 A1024	I786-I1027 HydrophobicContact CD1-CD1 4.27Å; Y789-I1027 WeakPolarHBondContact CE1-O 3.24Å; V1016-I1027 HydrophobicContact CG1-CG2 3.82Å; M1020-I1027 HydrophobicContact CB-CD1 4.25Å; M1020-I1027 HydrophobicContact CE-CD1 3.66Å; M1020-I1027 HydrophobicContact CE-CG2 4.29Å; M1020-I1027 HydrophobicContact CG-CD1 3.15Å; M1020-I1027 HydrophobicContact SD-CD1 4.29Å; A1024-I1027 HydrophobicContact CB-CD1 4.32Å; A1024-I1027 HydrophobicContact CB-CG1 4.25Å
1028	D	88.9	Confident	88.8	Confident	70 Å²	70	48.2 Å²	48.2	37%	0.374	26%	0.255	S	S	.	.			trans	-99.9	118.4	168.7	-168.2	-41	0	0	0	108.7	A1030 A1031 T1032	D1028-A1030 WeakPolarHBondContact OD1-CA 3.39Å; D1028-A1030 WeakPolarHBondContact OD1-CB 3.45Å; D1028-A1030 PolarHBondContact OD1-N 2.95Å; D1028-A1031 HydrophobicContact CB-CB 3.93Å; D1028-A1031 PolarHBondContact OD1-N 3.03Å; D1028-T1032 VanDerWaalsContact O-CB 3.31Å; D1028-T1032 WeakPolarHBondContact O-CB 3.47Å; D1028-T1032 PolarHBondContact O-N 2.96Å; D1028-T1032 VanDerWaalsContact O-N 3.12Å; D1028-T1032 PolarHBondContact O-OG1 3.12Å
1029	I	92	Very high	89.1	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-82.1	-25.8	-179.5	-165.6	164.8	0	0	0	112.2	M790 L1012 V1016 L1033 F1050 A1053 L1054 V1057	M790-I1029 HydrophobicContact CE-CG2 4.45Å; L1012-I1029 HydrophobicContact CD1-CG1 3.9Å; L1012-I1029 HydrophobicContact CD2-CD1 4.29Å; L1012-I1029 HydrophobicContact CD2-CG1 3.97Å; L1012-I1029 HydrophobicContact CG-CD1 4.33Å; L1012-I1029 HydrophobicContact CG-CG1 4.02Å; V1016-I1029 HydrophobicContact CG2-CG1 4.24Å; I1029-L1033 WeakPolarHBondContact O-CB 3.42Å; I1029-L1033 PolarHBondContact O-N 3.43Å; I1029-F1050 HydrophobicContact CG1-CE2 4.3Å; I1029-F1050 HydrophobicContact CG2-CE2 4.12Å; I1029-F1050 HydrophobicContact CG2-CZ 4Å; I1029-A1053 HydrophobicContact CD1-CB 4.28Å; I1029-L1054 HydrophobicContact CD1-CD2 4.34Å; I1029-L1054 HydrophobicContact CD1-CG 4.29Å; I1029-L1054 HydrophobicContact CG2-CD2 3.75Å; I1029-L1054 HydrophobicContact CG2-CG 4.23Å; I1029-V1057 HydrophobicContact CD1-CG2 4.5Å
1030	A	93.4	Very high	89.5	Confident	12 Å²	12	44.3 Å²	44.3	10%	0.099	24%	0.238	C	C	.	.	H	α-helix	trans	-72.3	-50.5	173.9	0	0	0	0	0	109.6	L807 D1028 T1032 L1033 E1034 F1050	L807-A1030 HydrophobicContact CD1-CB 4.35Å; D1028-A1030 WeakPolarHBondContact OD1-CA 3.39Å; D1028-A1030 WeakPolarHBondContact OD1-CB 3.45Å; D1028-A1030 PolarHBondContact OD1-N 2.95Å; A1030-T1032 VanDerWaalsContact C-N 3.26Å; A1030-T1032 PolarHBondContact O-N 2.86Å; A1030-L1033 CarbonylContact O-C 3.55Å; A1030-L1033 WeakPolarHBondContact O-CA 3.33Å; A1030-L1033 WeakPolarHBondContact O-CB 3.48Å; A1030-L1033 PolarHBondContact O-N 3.34Å; A1030-E1034 WeakPolarHBondContact O-CG 3.31Å; A1030-E1034 PolarHBondContact O-N 3.28Å; A1030-F1050 HydrophobicContact CB-CZ 4.2Å
1031	A	94.1	Very high	89.9	Confident	44 Å²	44	44.7 Å²	44.7	36%	0.364	24%	0.242	S	C	.	.	H	α-helix	trans	-64.1	-30	174.9	0	0	0	0	0	112.8	D1028 L1033 H1035	D1028-A1031 HydrophobicContact CB-CB 3.93Å; D1028-A1031 PolarHBondContact OD1-N 3.03Å; A1031-L1033 VanDerWaalsContact C-N 3.31Å; A1031-H1035 WeakPolarHBondContact O-CB 3.19Å; A1031-H1035 PolarHBondContact O-N 3.24Å; A1031-H1035 VanDerWaalsContact O-N 3.08Å
1032	T	95.1	Very high	90.3	Very high	7 Å²	7	44.7 Å²	44.7	4%	0.043	25%	0.246	C	C	.	.	H	α-helix	trans	-69	-30.5	170.4	-59.5	0	0	0	0	111.8	L1012 M1015 V1016 R1019 D1028 A1030 L1036	L1012-T1032 HydrophobicContact CD1-CG2 3.7Å; M1015-T1032 HydrophobicContact CG-CG2 4.34Å; M1015-T1032 HydrophobicContact SD-CG2 3.8Å; V1016-T1032 HydrophobicContact CG2-CG2 4.03Å; R1019-T1032 PolarHBondContact NH1-OG1 2.71Å; D1028-T1032 VanDerWaalsContact O-CB 3.31Å; D1028-T1032 WeakPolarHBondContact O-CB 3.47Å; D1028-T1032 PolarHBondContact O-N 2.96Å; D1028-T1032 VanDerWaalsContact O-N 3.12Å; D1028-T1032 PolarHBondContact O-OG1 3.12Å; A1030-T1032 VanDerWaalsContact C-N 3.26Å; A1030-T1032 PolarHBondContact O-N 2.86Å; T1032-L1036 WeakPolarHBondContact O-CG 3.43Å; T1032-L1036 PolarHBondContact O-N 2.96Å
1033	L	97	Very high	90.9	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-77.4	-36.8	174.5	-178.6	53.9	0	0	0	112.7	L807 L1012 I1029 A1030 A1031 L1036 R1037 M1043 V1044 F1050	L807-L1033 HydrophobicContact CD1-CD2 3.94Å; L807-L1033 HydrophobicContact CD2-CB 4.29Å; L807-L1033 HydrophobicContact CD2-CD2 4.19Å; L807-L1033 HydrophobicContact CD2-CG 4.15Å; L1012-L1033 HydrophobicContact CD1-CB 4.3Å; L1012-L1033 HydrophobicContact CD2-CB 4.29Å; L1012-L1033 HydrophobicContact CD2-CD1 4.38Å; L1012-L1033 HydrophobicContact CD2-CD2 4.4Å; I1029-L1033 WeakPolarHBondContact O-CB 3.42Å; I1029-L1033 PolarHBondContact O-N 3.43Å; A1030-L1033 CarbonylContact O-C 3.55Å; A1030-L1033 WeakPolarHBondContact O-CA 3.33Å; A1030-L1033 WeakPolarHBondContact O-CB 3.48Å; A1030-L1033 PolarHBondContact O-N 3.34Å; A1031-L1033 VanDerWaalsContact C-N 3.31Å; L1033-L1036 HydrophobicContact CD1-CB 4.35Å; L1033-L1036 HydrophobicContact CD1-CD1 4.32Å; L1033-L1036 WeakPolarHBondContact O-CB 3.02Å; L1033-L1036 PolarHBondContact O-N 3.32Å; L1033-L1036 VanDerWaalsContact O-N 3.08Å; L1033-R1037 HydrophobicContact CD1-CG 4.46Å; L1033-R1037 WeakPolarHBondContact O-CG 3.34Å; L1033-R1037 PolarHBondContact O-N 3.14Å; L1033-M1043 HydrophobicContact CD1-CB 4.4Å; L1033-M1043 WeakPolarHBondContact CD1-O 3.39Å; L1033-V1044 HydrophobicContact CD1-CB 3.79Å; L1033-V1044 HydrophobicContact CD1-CG2 3.52Å; L1033-V1044 HydrophobicContact CD2-CB 3.87Å; L1033-V1044 HydrophobicContact CD2-CG1 4.24Å; L1033-V1044 HydrophobicContact CD2-CG2 4.14Å; L1033-F1050 HydrophobicContact CD2-CD2 3.66Å; L1033-F1050 HydrophobicContact CD2-CE2 3.87Å
1034	E	96.4	Very high	91.6	Very high	67 Å²	67	37.4 Å²	37.4	31%	0.313	20%	0.204	S	C	.	.	H	α-helix	trans	-54.8	-51.3	168.2	-68.4	179.2	162.3	0	0	110.4	L807 Y810 A1030 L1036 R1037 D1038	L807-E1034 HydrophobicContact CD2-CG 3.83Å; Y810-E1034 HydrophobicContact CD2-CB 4.22Å; Y810-E1034 HydrophobicContact CD2-CG 3.66Å; Y810-E1034 HydrophobicContact CE1-CB 4.37Å; Y810-E1034 HydrophobicContact CE2-CB 3.62Å; Y810-E1034 HydrophobicContact CE2-CG 3.57Å; Y810-E1034 HydrophobicContact CG-CG 4.26Å; Y810-E1034 PolarHBondContact OH-O 2.84Å; A1030-E1034 WeakPolarHBondContact O-CG 3.31Å; A1030-E1034 PolarHBondContact O-N 3.28Å; E1034-L1036 PolarHBondContact O-N 3.23Å; E1034-L1036 VanDerWaalsContact O-N 3.12Å; E1034-R1037 CarbonylContact O-C 3.58Å; E1034-R1037 WeakPolarHBondContact O-CA 3.15Å; E1034-R1037 PolarHBondContact O-N 3.22Å; E1034-D1038 PolarHBondContact O-N 3.24Å
1035	H	95.2	Very high	92.1	Very high	59 Å²	59	39.3 Å²	39.3	27%	0.273	21%	0.207	S	C	.	.	H	α-helix	trans	-58.5	-24.5	174.5	175.5	84.6	0	0	0	114.3	M862 A1031 Q1039	M862-H1035 PolarHBondContact O-NE2 2.99Å; A1031-H1035 WeakPolarHBondContact O-CB 3.19Å; A1031-H1035 PolarHBondContact O-N 3.24Å; A1031-H1035 VanDerWaalsContact O-N 3.08Å; H1035-Q1039 PolarHBondContact CD2-NE2 3.06Å; H1035-Q1039 PolarHBondContact NE2-NE2 2.99Å; H1035-Q1039 VanDerWaalsContact NE2-NE2 3.16Å; H1035-Q1039 PolarHBondContact O-NE2 2.91Å
1036	L	97.1	Very high	93.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-79.9	-37.3	170	-69.2	175	0	0	0	112	I861 I1011 L1012 M1015 T1032 L1033 E1034 Q1039 R1040 M1043	I861-L1036 HydrophobicContact CG2-CD2 3.51Å; I1011-L1036 HydrophobicContact CG2-CD1 4.19Å; I1011-L1036 HydrophobicContact CG2-CD2 3.64Å; L1012-L1036 HydrophobicContact CB-CD1 3.87Å; L1012-L1036 HydrophobicContact CD1-CD1 4.09Å; M1015-L1036 HydrophobicContact CE-CD2 3.71Å; M1015-L1036 HydrophobicContact SD-CD2 4.36Å; T1032-L1036 WeakPolarHBondContact O-CG 3.43Å; T1032-L1036 PolarHBondContact O-N 2.96Å; L1033-L1036 HydrophobicContact CD1-CB 4.35Å; L1033-L1036 HydrophobicContact CD1-CD1 4.32Å; L1033-L1036 WeakPolarHBondContact O-CB 3.02Å; L1033-L1036 PolarHBondContact O-N 3.32Å; L1033-L1036 VanDerWaalsContact O-N 3.08Å; E1034-L1036 PolarHBondContact O-N 3.23Å; E1034-L1036 VanDerWaalsContact O-N 3.12Å; L1036-Q1039 PolarHBondContact O-N 3.27Å; L1036-Q1039 VanDerWaalsContact O-N 3.16Å; L1036-R1040 PolarHBondContact O-N 3.34Å; L1036-M1043 HydrophobicContact CB-CB 4.11Å; L1036-M1043 HydrophobicContact CB-CE 4.09Å; L1036-M1043 HydrophobicContact CB-CG 4.38Å; L1036-M1043 HydrophobicContact CD1-CE 4.32Å; L1036-M1043 HydrophobicContact CD2-CE 4Å; L1036-M1043 HydrophobicContact CG-CE 4.36Å
1037	R	97.1	Very high	94.2	Very high	25 Å²	25	27.3 Å²	27.3	9%	0.094	15%	0.154	C	C	.	.	H	α-helix	trans	-71.9	-26.3	177.9	-71.9	179.7	174.6	-166.9	2.9	113	L807 Y810 Y837 L1033 E1034 Q1039 M1043 V1044	L807-R1037 VanDerWaalsContact C-NH1 3.3Å; L807-R1037 PolarHBondContact O-NH1 2.99Å; Y810-R1037 HydrophobicContact CD1-CB 4.01Å; Y810-R1037 HydrophobicContact CE1-CB 3.78Å; Y837-R1037 VanDerWaalsContact CE2-O 3.27Å; Y837-R1037 WeakPolarHBondContact CE2-O 3.29Å; Y837-R1037 PolarHBondContact OH-O 3.07Å; L1033-R1037 HydrophobicContact CD1-CG 4.46Å; L1033-R1037 WeakPolarHBondContact O-CG 3.34Å; L1033-R1037 PolarHBondContact O-N 3.14Å; E1034-R1037 CarbonylContact O-C 3.58Å; E1034-R1037 WeakPolarHBondContact O-CA 3.15Å; E1034-R1037 PolarHBondContact O-N 3.22Å; R1037-Q1039 PolarHBondContact O-N 3.2Å; R1037-M1043 HydrophobicContact CG-CB 4.15Å; R1037-M1043 PolarHBondContact NE-O 3.44Å; R1037-M1043 PolarHBondContact NH2-O 3.25Å; R1037-V1044 PolarHBondContact NH2-O 2.96Å
1038	D	96.5	Very high	94.7	Very high	62 Å²	62	30.9 Å²	30.9	33%	0.332	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-26.5	165.9	-89.5	-37.4	0	0	0	113.5	Y810 H839 E1034	Y810-D1038 PolarHBondContact OH-OD1 3.45Å; Y810-D1038 VanDerWaalsContact OH-OD1 3.09Å; Y810-D1038 PolarHBondContact OH-OD2 3.1Å; Y810-D1038 VanDerWaalsContact OH-OD2 3.06Å; H839-D1038 PolarHBondContact NE2-O 3.24Å; H839-D1038 VanDerWaalsContact NE2-O 3.1Å; E1034-D1038 PolarHBondContact O-N 3.24Å
1039	Q	96.8	Very high	95	Very high	14 Å²	14	27.7 Å²	27.7	7%	0.065	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-27.3	-171.4	-63.5	179.8	85.8	0	0	113.1	S840 S859 I861 M862 H1035 L1036 R1037	S840-Q1039 WeakPolarHBondContact CB-O 3.32Å; S840-Q1039 PolarHBondContact OG-O 3.18Å; S859-Q1039 WeakPolarHBondContact CB-O 3.32Å; S859-Q1039 PolarHBondContact OG-O 3.16Å; I861-Q1039 HydrophobicContact CD1-CB 3.81Å; M862-Q1039 VanDerWaalsContact CE-OE1 3.27Å; M862-Q1039 PolarHBondContact O-NE2 3.18Å; H1035-Q1039 PolarHBondContact CD2-NE2 3.06Å; H1035-Q1039 PolarHBondContact NE2-NE2 2.99Å; H1035-Q1039 VanDerWaalsContact NE2-NE2 3.16Å; H1035-Q1039 PolarHBondContact O-NE2 2.91Å; L1036-Q1039 PolarHBondContact O-N 3.27Å; L1036-Q1039 VanDerWaalsContact O-N 3.16Å; R1037-Q1039 PolarHBondContact O-N 3.2Å
1040	R	96.8	Very high	95.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.153	C	C	.	.	S	Bend	trans	-150.7	130.5	171.8	-176.3	172	177.5	75.7	1.1	111.1	V836 N857 I861 D1002 G1003 L1036 M1043	V836-R1040 VanDerWaalsContact CG1-NH1 3.35Å; N857-R1040 PolarHBondContact OD1-NH1 3.16Å; N857-R1040 PolarHBondContact OD1-NH2 2.81Å; I861-R1040 HydrophobicContact CD1-CB 4.24Å; D1002-R1040 PolarHBondContact O-NH2 3.43Å; G1003-R1040 PolarHBondContact O-NE 3.25Å; L1036-R1040 PolarHBondContact O-N 3.34Å; R1040-M1043 HydrophobicContact CB-CG 3.83Å; R1040-M1043 HydrophobicContact CB-SD 4.2Å; R1040-M1043 HydrophobicContact CG-CG 4.27Å; R1040-M1043 HydrophobicContact CG-SD 4.36Å; R1040-M1043 WeakPolarHBondContact O-CG 3.48Å
1041	A	93.9	Very high	95.1	Very high	15 Å²	15	29.9 Å²	29.9	12%	0.124	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	141.2	178.2	0	0	0	0	0	112.6	Y837 M1043	Y837-A1041 HydrophobicContact CE1-CB 4Å; Y837-A1041 HydrophobicContact CE2-CB 4.29Å; Y837-A1041 VanDerWaalsContact CE2-N 3.34Å; Y837-A1041 WeakPolarHBondContact OH-CA 3.3Å; A1041-M1043 VanDerWaalsContact C-N 3.28Å; A1041-M1043 PolarHBondContact O-N 2.8Å
1042	G	92.4	Very high	95.1	Very high	34 Å²	34	28.2 Å²	28.2	35%	0.351	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.4	13.4	170.1	0	0	0	0	0	116.4	V1044 Q1045	G1042-V1044 PolarHBondContact O-N 3.36Å; G1042-Q1045 VanDerWaalsContact O-CG 3.26Å; G1042-Q1045 WeakPolarHBondContact O-CG 3.34Å
1043	M	96.7	Very high	95.1	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.144	C	C	.	.	S	Bend	trans	-55.9	128.8	175.9	-70.6	-79.3	-86.7	0	0	110.7	I861 A873 A1004 I1011 L1033 L1036 R1037 R1040 A1041	I861-M1043 HydrophobicContact CD1-CE 4.15Å; A873-M1043 HydrophobicContact CB-CE 4.34Å; A873-M1043 HydrophobicContact CB-SD 4.35Å; A1004-M1043 WeakPolarHBondContact O-CA 3.28Å; I1011-M1043 HydrophobicContact CB-CE 4.48Å; I1011-M1043 HydrophobicContact CD1-CE 4.03Å; I1011-M1043 HydrophobicContact CG2-CE 4.45Å; L1033-M1043 HydrophobicContact CD1-CB 4.4Å; L1033-M1043 WeakPolarHBondContact CD1-O 3.39Å; L1036-M1043 HydrophobicContact CB-CB 4.11Å; L1036-M1043 HydrophobicContact CB-CE 4.09Å; L1036-M1043 HydrophobicContact CB-CG 4.38Å; L1036-M1043 HydrophobicContact CD1-CE 4.32Å; L1036-M1043 HydrophobicContact CD2-CE 4Å; L1036-M1043 HydrophobicContact CG-CE 4.36Å; R1037-M1043 HydrophobicContact CG-CB 4.15Å; R1037-M1043 PolarHBondContact NE-O 3.44Å; R1037-M1043 PolarHBondContact NH2-O 3.25Å; R1040-M1043 HydrophobicContact CB-CG 3.83Å; R1040-M1043 HydrophobicContact CB-SD 4.2Å; R1040-M1043 HydrophobicContact CG-CG 4.27Å; R1040-M1043 HydrophobicContact CG-SD 4.36Å; R1040-M1043 WeakPolarHBondContact O-CG 3.48Å; A1041-M1043 VanDerWaalsContact C-N 3.28Å; A1041-M1043 PolarHBondContact O-N 2.8Å
1044	V	96	Very high	94.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.144	C	C	.	.	S	Bend	trans	54.6	102.8	-165.6	-174.1	0	0	0	0	111.2	W804 A1004 L1012 L1033 R1037 G1042 Q1049 F1050	W804-V1044 HydrophobicContact CZ3-CG1 4.26Å; A1004-V1044 PolarHBondContact O-N 3.05Å; L1012-V1044 HydrophobicContact CD2-CG2 4.04Å; L1033-V1044 HydrophobicContact CD1-CB 3.79Å; L1033-V1044 HydrophobicContact CD1-CG2 3.52Å; L1033-V1044 HydrophobicContact CD2-CB 3.87Å; L1033-V1044 HydrophobicContact CD2-CG1 4.24Å; L1033-V1044 HydrophobicContact CD2-CG2 4.14Å; R1037-V1044 PolarHBondContact NH2-O 2.96Å; G1042-V1044 PolarHBondContact O-N 3.36Å; V1044-Q1049 HydrophobicContact CG1-CB 3.76Å; V1044-F1050 HydrophobicContact CG1-CB 4.08Å
1045	Q	93.6	Very high	94.8	Very high	77 Å²	77	27 Å²	27	36%	0.36	14%	0.143	S	C	.	.			trans	-91.9	-23	-166.8	-74.4	170.1	-29.5	0	0	114.6	D1002 G1042	D1002-Q1045 VanDerWaalsContact CG-NE2 3.31Å; D1002-Q1045 PolarHBondContact OD2-NE2 3.49Å; D1002-Q1045 PolarHBondContact OD2-OE1 3.38Å; G1042-Q1045 VanDerWaalsContact O-CG 3.26Å; G1042-Q1045 WeakPolarHBondContact O-CG 3.34Å
1046	T	93.8	Very high	94.8	Very high	27 Å²	27	24.1 Å²	24.1	17%	0.166	13%	0.13	C	C	.	.	S	Bend	trans	-131.7	157.4	-173.9	89.1	0	0	0	0	111.5	W804 E1048 Q1049 F1050	W804-T1046 WeakPolarHBondContact CH2-O 3.06Å; T1046-E1048 VanDerWaalsContact C-N 3.28Å; T1046-E1048 WeakPolarHBondContact CB-OE2 3.26Å; T1046-E1048 PolarHBondContact O-N 3.31Å; T1046-E1048 PolarHBondContact OG1-OE2 2.87Å; T1046-Q1049 WeakPolarHBondContact O-CB 3.47Å; T1046-Q1049 PolarHBondContact O-N 2.85Å; T1046-Q1049 WeakPolarHBondContact OG1-CG 3.44Å; T1046-Q1049 PolarHBondContact OG1-N 3.43Å; T1046-F1050 PolarHBondContact O-N 3.24Å
1047	K	93.1	Very high	94.6	Very high	40 Å²	40	24.1 Å²	24.1	17%	0.174	13%	0.13	C	C	.	.	H	α-helix	trans	-63.5	-37.4	-179.7	-174.7	-177.8	170.2	-170.1	0	111.7	E801 W804 Q1049 F1050 E1051	E801-K1047 WeakPolarHBondContact OE1-CD 3.43Å; E801-K1047 VanDerWaalsContact OE1-CE 3.26Å; E801-K1047 WeakPolarHBondContact OE1-CE 3.48Å; E801-K1047 IonicContact OE1-NZ 3.95Å; E801-K1047 PolarHBondContact OE1-NZ 3.27Å; E801-K1047 IonicContact OE2-NZ 3.2Å; E801-K1047 PolarHBondContact OE2-NZ 2.9Å; W804-K1047 HydrophobicContact CB-CG 4.28Å; W804-K1047 HydrophobicContact CD2-CB 3.97Å; W804-K1047 HydrophobicContact CD2-CG 4.29Å; W804-K1047 HydrophobicContact CG-CB 3.95Å; W804-K1047 HydrophobicContact CG-CD 4.38Å; W804-K1047 HydrophobicContact CG-CG 3.9Å; K1047-Q1049 VanDerWaalsContact C-N 3.29Å; K1047-Q1049 PolarHBondContact O-N 3.39Å; K1047-F1050 WeakPolarHBondContact O-CB 3.41Å; K1047-F1050 PolarHBondContact O-N 2.91Å; K1047-F1050 VanDerWaalsContact O-N 3.08Å; K1047-E1051 PolarHBondContact O-N 2.75Å
1048	E	93.2	Very high	94.4	Very high	96 Å²	96	23.4 Å²	23.4	45%	0.449	13%	0.129	S	C	.	.	H	α-helix	trans	-63.5	-38.2	178.7	-52.3	69.8	-148.9	0	0	110.4	I971 T1046 F1050 E1051 F1052	I971-E1048 HydrophobicContact CG2-CB 4.19Å; I971-E1048 WeakPolarHBondContact CG2-O 3.33Å; T1046-E1048 VanDerWaalsContact C-N 3.28Å; T1046-E1048 WeakPolarHBondContact CB-OE2 3.26Å; T1046-E1048 PolarHBondContact O-N 3.31Å; T1046-E1048 PolarHBondContact OG1-OE2 2.87Å; E1048-F1050 VanDerWaalsContact C-N 3.33Å; E1048-F1050 PolarHBondContact O-N 3Å; E1048-E1051 PolarHBondContact O-N 2.78Å; E1048-F1052 WeakPolarHBondContact O-CB 3.47Å; E1048-F1052 PolarHBondContact O-N 3.48Å
1049	Q	94.4	Very high	94.2	Very high	2 Å²	2	23 Å²	23	1%	0.009	13%	0.126	C	C	.	.	H	α-helix	trans	-64.1	-36.4	173.7	-68.9	172.1	13.8	0	0	112	I971 G1005 T1009 V1044 T1046 K1047 A1053	I971-Q1049 HydrophobicContact CG2-CG 4.16Å; G1005-Q1049 PolarHBondContact O-OE1 3.39Å; T1009-Q1049 HydrophobicContact CG2-CB 4.34Å; T1009-Q1049 WeakPolarHBondContact CG2-O 3.43Å; T1009-Q1049 WeakPolarHBondContact OG1-CB 3.17Å; V1044-Q1049 HydrophobicContact CG1-CB 3.76Å; T1046-Q1049 WeakPolarHBondContact O-CB 3.47Å; T1046-Q1049 PolarHBondContact O-N 2.85Å; T1046-Q1049 WeakPolarHBondContact OG1-CG 3.44Å; T1046-Q1049 PolarHBondContact OG1-N 3.43Å; K1047-Q1049 VanDerWaalsContact C-N 3.29Å; K1047-Q1049 PolarHBondContact O-N 3.39Å; Q1049-A1053 PolarHBondContact O-N 2.76Å
1050	F	94.3	Very high	93.9	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-72.3	-44.3	175.6	-173.1	-119.9	0	0	0	112.5	L800 W804 L807 L1012 I1029 A1030 L1033 V1044 T1046 K1047 E1048 F1052 A1053 L1054	L800-F1050 HydrophobicContact CD1-CD1 3.7Å; L800-F1050 HydrophobicContact CD1-CE1 3.77Å; W804-F1050 HydrophobicContact CE3-CB 3.94Å; W804-F1050 HydrophobicContact CE3-CD1 4.19Å; W804-F1050 HydrophobicContact CE3-CG 4.16Å; W804-F1050 HydrophobicContact CZ3-CB 3.96Å; W804-F1050 HydrophobicContact CZ3-CG 4.42Å; L807-F1050 HydrophobicContact CD1-CE1 4.05Å; L807-F1050 HydrophobicContact CD1-CE2 4.06Å; L807-F1050 HydrophobicContact CD1-CZ 3.82Å; L1012-F1050 HydrophobicContact CD2-CD2 4.25Å; L1012-F1050 HydrophobicContact CD2-CE2 4.48Å; I1029-F1050 HydrophobicContact CG1-CE2 4.3Å; I1029-F1050 HydrophobicContact CG2-CE2 4.12Å; I1029-F1050 HydrophobicContact CG2-CZ 4Å; A1030-F1050 HydrophobicContact CB-CZ 4.2Å; L1033-F1050 HydrophobicContact CD2-CD2 3.66Å; L1033-F1050 HydrophobicContact CD2-CE2 3.87Å; V1044-F1050 HydrophobicContact CG1-CB 4.08Å; T1046-F1050 PolarHBondContact O-N 3.24Å; K1047-F1050 WeakPolarHBondContact O-CB 3.41Å; K1047-F1050 PolarHBondContact O-N 2.91Å; K1047-F1050 VanDerWaalsContact O-N 3.08Å; E1048-F1050 VanDerWaalsContact C-N 3.33Å; E1048-F1050 PolarHBondContact O-N 3Å; F1050-F1052 VanDerWaalsContact C-N 3.3Å; F1050-F1052 PolarHBondContact O-N 3.1Å; F1050-A1053 WeakPolarHBondContact O-CB 3.5Å; F1050-A1053 PolarHBondContact O-N 3.09Å; F1050-A1053 VanDerWaalsContact O-N 3.14Å; F1050-L1054 HydrophobicContact CE1-CD1 4.44Å; F1050-L1054 PolarHBondContact O-N 2.78Å
1051	E	93.4	Very high	93.6	Very high	59 Å²	59	23 Å²	23	28%	0.276	13%	0.125	S	C	.	.	H	α-helix	trans	-61.7	-37.6	173.4	-167.9	171.9	162.5	0	0	111.7	L794 L800 K1047 E1048 L1054 T1055	L794-E1051 HydrophobicContact CD2-CG 3.83Å; L800-E1051 HydrophobicContact CD2-CB 4.06Å; L800-E1051 HydrophobicContact CD2-CG 3.8Å; K1047-E1051 PolarHBondContact O-N 2.75Å; E1048-E1051 PolarHBondContact O-N 2.78Å; E1051-L1054 WeakPolarHBondContact O-CB 3.42Å; E1051-T1055 WeakPolarHBondContact O-CB 3.25Å; E1051-T1055 PolarHBondContact O-N 3.32Å; E1051-T1055 PolarHBondContact O-OG1 3.46Å
1052	F	94.3	Very high	93.4	Very high	8 Å²	8	24.4 Å²	24.4	4%	0.035	13%	0.131	C	C	.	.	H	α-helix	trans	-68.8	-36.1	173	177.4	-97.1	0	0	0	112.7	W966 I971 P972 A975 L978 T1009 I1013 E1048 F1050 T1055 A1056	W966-F1052 HydrophobicContact CH2-CE1 4.36Å; I971-F1052 HydrophobicContact CB-CB 4.02Å; I971-F1052 HydrophobicContact CB-CD2 3.98Å; I971-F1052 HydrophobicContact CB-CG 3.93Å; I971-F1052 HydrophobicContact CD1-CB 3.91Å; I971-F1052 HydrophobicContact CD1-CD2 4.08Å; I971-F1052 HydrophobicContact CD1-CG 4.33Å; I971-F1052 HydrophobicContact CG1-CD2 4.45Å; I971-F1052 HydrophobicContact CG2-CB 3.7Å; I971-F1052 HydrophobicContact CG2-CG 4.03Å; P972-F1052 HydrophobicContact CB-CE2 4.13Å; P972-F1052 HydrophobicContact CB-CZ 3.93Å; P972-F1052 VanDerWaalsContact CD-CZ 3.5Å; P972-F1052 HydrophobicContact CG-CE1 4.1Å; P972-F1052 HydrophobicContact CG-CE2 4.22Å; P972-F1052 HydrophobicContact CG-CZ 3.64Å; P972-F1052 WeakPolarHBondContact O-CE2 3.36Å; A975-F1052 HydrophobicContact CB-CE2 3.98Å; A975-F1052 HydrophobicContact CB-CZ 4.2Å; L978-F1052 HydrophobicContact CD2-CE1 3.62Å; L978-F1052 HydrophobicContact CD2-CZ 4.01Å; T1009-F1052 HydrophobicContact CG2-CD1 4.11Å; I1013-F1052 HydrophobicContact CD1-CD1 4.31Å; I1013-F1052 HydrophobicContact CD1-CE1 4.09Å; E1048-F1052 WeakPolarHBondContact O-CB 3.47Å; E1048-F1052 PolarHBondContact O-N 3.48Å; F1050-F1052 VanDerWaalsContact C-N 3.3Å; F1050-F1052 PolarHBondContact O-N 3.1Å; F1052-T1055 PolarHBondContact O-N 2.82Å; F1052-A1056 WeakPolarHBondContact O-CB 3.35Å; F1052-A1056 PolarHBondContact O-N 3.44Å
1053	A	94.9	Very high	93.2	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-63.6	-46.1	174.1	0	0	0	0	0	111.8	T1009 L1012 I1013 I1029 Q1049 F1050 T1055 A1056 V1057	T1009-A1053 HydrophobicContact CG2-CB 4.37Å; L1012-A1053 HydrophobicContact CD2-CB 3.92Å; L1012-A1053 HydrophobicContact CG-CB 4.45Å; I1013-A1053 HydrophobicContact CD1-CB 4.34Å; I1013-A1053 HydrophobicContact CG1-CB 3.88Å; I1029-A1053 HydrophobicContact CD1-CB 4.28Å; Q1049-A1053 PolarHBondContact O-N 2.76Å; F1050-A1053 WeakPolarHBondContact O-CB 3.5Å; F1050-A1053 PolarHBondContact O-N 3.09Å; F1050-A1053 VanDerWaalsContact O-N 3.14Å; A1053-T1055 VanDerWaalsContact C-N 3.34Å; A1053-T1055 PolarHBondContact O-N 3.39Å; A1053-A1056 PolarHBondContact O-N 3.06Å; A1053-V1057 VanDerWaalsContact O-CG2 3.29Å; A1053-V1057 WeakPolarHBondContact O-CG2 3.36Å; A1053-V1057 PolarHBondContact O-N 2.92Å
1054	L	93.4	Very high	92.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-54	-49.2	169.7	-82.7	163.7	0	0	0	111.6	M790 H793 L794 L800 I1029 F1050 E1051 V1057 A1058	M790-L1054 HydrophobicContact CE-CD2 3.46Å; M790-L1054 VanDerWaalsContact CE-CD2 3.46Å; M790-L1054 HydrophobicContact SD-CD2 3.69Å; H793-L1054 HydrophobicContact CB-CD1 4.37Å; H793-L1054 HydrophobicContact CB-CD2 4.05Å; L794-L1054 HydrophobicContact CD2-CB 3.78Å; L794-L1054 HydrophobicContact CD2-CD1 4.41Å; L794-L1054 HydrophobicContact CG-CB 4.22Å; L800-L1054 HydrophobicContact CD1-CD1 3.55Å; I1029-L1054 HydrophobicContact CD1-CD2 4.34Å; I1029-L1054 HydrophobicContact CD1-CG 4.29Å; I1029-L1054 HydrophobicContact CG2-CD2 3.75Å; I1029-L1054 HydrophobicContact CG2-CG 4.23Å; F1050-L1054 HydrophobicContact CE1-CD1 4.44Å; F1050-L1054 PolarHBondContact O-N 2.78Å; E1051-L1054 WeakPolarHBondContact O-CB 3.42Å; L1054-V1057 PolarHBondContact O-N 3.36Å; L1054-A1058 WeakPolarHBondContact O-CB 3.11Å; L1054-A1058 PolarHBondContact O-N 2.83Å
1055	T	93.5	Very high	92.2	Very high	48 Å²	48	27.7 Å²	27.7	29%	0.294	15%	0.145	S	C	.	.	H	α-helix	trans	-62.5	-44.1	-179.2	-58.7	0	0	0	0	112.4	L794 E1051 F1052 A1053 A1058 E1059	L794-T1055 WeakPolarHBondContact CD2-OG1 3.49Å; E1051-T1055 WeakPolarHBondContact O-CB 3.25Å; E1051-T1055 PolarHBondContact O-N 3.32Å; E1051-T1055 PolarHBondContact O-OG1 3.46Å; F1052-T1055 PolarHBondContact O-N 2.82Å; A1053-T1055 VanDerWaalsContact C-N 3.34Å; A1053-T1055 PolarHBondContact O-N 3.39Å; T1055-A1058 PolarHBondContact O-N 3.07Å; T1055-E1059 PolarHBondContact O-N 2.71Å
1056	A	94.9	Very high	91.8	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-67.5	-37.8	179	0	0	0	0	0	112.4	A975 I1013 F1052 A1053 E1060	A975-A1056 HydrophobicContact CB-CB 3.78Å; I1013-A1056 HydrophobicContact CD1-CB 3.79Å; I1013-A1056 HydrophobicContact CG1-CB 4.17Å; I1013-A1056 HydrophobicContact CG2-CB 4.32Å; F1052-A1056 WeakPolarHBondContact O-CB 3.35Å; F1052-A1056 PolarHBondContact O-N 3.44Å; A1053-A1056 PolarHBondContact O-N 3.06Å; A1056-E1060 PolarHBondContact O-N 3.36Å; A1056-E1060 VanDerWaalsContact O-N 3.08Å
1057	V	93.5	Very high	91.3	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-64.6	-44.1	173.1	171	0	0	0	0	110.6	M790 V1016 L1017 M1020 I1029 A1053 L1054 E1060 V1061	M790-V1057 HydrophobicContact CG-CG1 4.36Å; M790-V1057 HydrophobicContact SD-CB 4.22Å; M790-V1057 HydrophobicContact SD-CG1 3.73Å; V1016-V1057 HydrophobicContact CB-CG2 4.25Å; V1016-V1057 HydrophobicContact CG1-CG1 3.85Å; V1016-V1057 HydrophobicContact CG1-CG2 3.78Å; L1017-V1057 HydrophobicContact CD2-CG1 4.24Å; L1017-V1057 HydrophobicContact CD2-CG2 4.46Å; L1017-V1057 HydrophobicContact CG-CG2 4.27Å; M1020-V1057 HydrophobicContact CE-CG1 3.4Å; M1020-V1057 VanDerWaalsContact CE-CG1 3.4Å; M1020-V1057 HydrophobicContact SD-CG1 4.22Å; I1029-V1057 HydrophobicContact CD1-CG2 4.5Å; A1053-V1057 VanDerWaalsContact O-CG2 3.29Å; A1053-V1057 WeakPolarHBondContact O-CG2 3.36Å; A1053-V1057 PolarHBondContact O-N 2.92Å; L1054-V1057 PolarHBondContact O-N 3.36Å; V1057-E1060 PolarHBondContact O-N 3.3Å; V1057-V1061 WeakPolarHBondContact O-CG2 3.47Å; V1057-V1061 PolarHBondContact O-N 3.28Å
1058	A	92.1	Very high	90.5	Very high	10 Å²	10	34.4 Å²	34.4	8%	0.083	19%	0.189	C	C	.	.	H	α-helix	trans	-62	-45	175.9	0	0	0	0	0	112.7	L787 M790 L794 L1054 T1055 E1060 V1061 N1062	L787-A1058 HydrophobicContact CD1-CB 4.11Å; L787-A1058 WeakPolarHBondContact CD1-O 3.45Å; M790-A1058 HydrophobicContact CB-CB 3.95Å; L794-A1058 HydrophobicContact CD1-CB 4.41Å; L1054-A1058 WeakPolarHBondContact O-CB 3.11Å; L1054-A1058 PolarHBondContact O-N 2.83Å; T1055-A1058 PolarHBondContact O-N 3.07Å; A1058-E1060 PolarHBondContact O-N 2.83Å; A1058-V1061 PolarHBondContact O-N 2.6Å; A1058-N1062 WeakPolarHBondContact O-CB 3.47Å; A1058-N1062 PolarHBondContact O-N 2.88Å
1059	E	92.9	Very high	89.2	Confident	54 Å²	54	35.2 Å²	35.2	25%	0.252	20%	0.203	S	C	.	.	H	α-helix	trans	-62.2	-41	176.4	-82.3	-151.7	-114.4	0	0	112.3	R976 L979 T1055 N1062 A1063	R976-E1059 WeakPolarHBondContact CG-OE2 3.26Å; R976-E1059 IonicContact CZ-OE2 3.85Å; R976-E1059 IonicContact NE-OE2 2.75Å; R976-E1059 PolarHBondContact NE-OE2 3.13Å; R976-E1059 IonicContact NH2-OE2 3.73Å; R976-E1059 PolarHBondContact NH2-OE2 2.91Å; L979-E1059 HydrophobicContact CD1-CB 4.04Å; T1055-E1059 PolarHBondContact O-N 2.71Å; E1059-N1062 PolarHBondContact O-N 3.39Å; E1059-A1063 WeakPolarHBondContact O-CB 3.31Å; E1059-A1063 PolarHBondContact O-N 3.47Å
1060	E	91.3	Very high	87.1	Confident	12 Å²	12	47.1 Å²	47.1	6%	0.056	26%	0.258	C	S	.	.	H	α-helix	trans	-68.1	-44.1	178.6	-167.3	76.4	161.6	0	0	112.1	L979 R982 R983 L1017 A1056 V1057 A1058 N1062 A1063 I1064	L979-E1060 HydrophobicContact CD1-CB 4.11Å; L979-E1060 HydrophobicContact CD2-CB 3.93Å; L979-E1060 HydrophobicContact CD2-CG 4.31Å; R982-E1060 IonicContact NH1-OE1 2.79Å; R983-E1060 IonicContact CZ-OE1 3.98Å; R983-E1060 IonicContact CZ-OE2 2.69Å; R983-E1060 IonicContact NE-OE1 3.48Å; R983-E1060 PolarHBondContact NE-OE1 3.34Å; R983-E1060 VanDerWaalsContact NE-OE1 3.08Å; R983-E1060 IonicContact NE-OE2 3.55Å; R983-E1060 PolarHBondContact NE-OE2 3.29Å; R983-E1060 IonicContact NH2-OE1 3.8Å; R983-E1060 IonicContact NH2-OE2 2.62Å; R983-E1060 PolarHBondContact NH2-OE2 3.41Å; L1017-E1060 HydrophobicContact CD1-CB 3.96Å; L1017-E1060 HydrophobicContact CD1-CG 3.95Å; L1017-E1060 HydrophobicContact CD2-CB 3.79Å; L1017-E1060 HydrophobicContact CD2-CG 3.91Å; A1056-E1060 PolarHBondContact O-N 3.36Å; A1056-E1060 VanDerWaalsContact O-N 3.08Å; V1057-E1060 PolarHBondContact O-N 3.3Å; A1058-E1060 PolarHBondContact O-N 2.83Å; E1060-N1062 VanDerWaalsContact C-N 3.32Å; E1060-N1062 PolarHBondContact O-N 2.85Å; E1060-A1063 PolarHBondContact O-N 2.73Å; E1060-I1064 HydrophobicContact CG-CD1 4.04Å; E1060-I1064 VanDerWaalsContact O-CG1 3.31Å; E1060-I1064 WeakPolarHBondContact O-CG1 3.22Å; E1060-I1064 PolarHBondContact O-N 3.5Å
1061	V	89.4	Confident	86.8	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-61.7	-42.4	176.8	173.3	0	0	0	0	110.8	M778 G783 I786 L787 M1020 V1057 A1058 A1063 I1064 L1065	M778-V1061 HydrophobicContact CE-CG1 4.29Å; G783-V1061 WeakPolarHBondContact O-CG1 3.34Å; I786-V1061 HydrophobicContact CG2-CG1 4.31Å; I786-V1061 HydrophobicContact CG2-CG2 4.01Å; L787-V1061 HydrophobicContact CB-CG1 4.03Å; M1020-V1061 HydrophobicContact CE-CG2 4.06Å; M1020-V1061 HydrophobicContact SD-CG2 3.39Å; M1020-V1061 WeakPolarHBondContact SD-CG2 3.38Å; V1057-V1061 WeakPolarHBondContact O-CG2 3.47Å; V1057-V1061 PolarHBondContact O-N 3.28Å; A1058-V1061 PolarHBondContact O-N 2.6Å; V1061-A1063 VanDerWaalsContact C-N 3.35Å; V1061-A1063 PolarHBondContact O-N 3.32Å; V1061-I1064 PolarHBondContact O-N 3.2Å; V1061-L1065 HydrophobicContact CG1-CD1 4.04Å; V1061-L1065 WeakPolarHBondContact O-CB 3.42Å; V1061-L1065 WeakPolarHBondContact O-CG 3.45Å; V1061-L1065 PolarHBondContact O-N 3.42Å
1062	N	90.1	Very high	86.4	Confident	46 Å²	46	49 Å²	49	25%	0.246	27%	0.271	C	S	.	.	H	α-helix	trans	-63	-39.4	175.2	-167	-13.6	0	0	0	111.8	L787 A1058 E1059 E1060 K1066	L787-N1062 HydrophobicContact CD1-CB 4.08Å; L787-N1062 HydrophobicContact CD2-CB 4Å; A1058-N1062 WeakPolarHBondContact O-CB 3.47Å; A1058-N1062 PolarHBondContact O-N 2.88Å; E1059-N1062 PolarHBondContact O-N 3.39Å; E1060-N1062 VanDerWaalsContact C-N 3.32Å; E1060-N1062 PolarHBondContact O-N 2.85Å; N1062-K1066 WeakPolarHBondContact O-CB 3.12Å; N1062-K1066 WeakPolarHBondContact O-CD 3.2Å; N1062-K1066 VanDerWaalsContact O-CG 3.32Å; N1062-K1066 WeakPolarHBondContact O-CG 3.46Å; N1062-K1066 PolarHBondContact O-N 3.33Å; N1062-K1066 VanDerWaalsContact O-N 3.09Å; N1062-K1066 WeakPolarHBondContact OD1-CE 3.19Å; N1062-K1066 PolarHBondContact OD1-NZ 3.47Å
1063	A	88.9	Confident	86	Confident	39 Å²	39	51.3 Å²	51.3	32%	0.322	28%	0.284	S	S	.	.	H	α-helix	trans	-67.1	-41	174.6	0	0	0	0	0	112.7	E1059 E1060 V1061 K1066 A1067	E1059-A1063 WeakPolarHBondContact O-CB 3.31Å; E1059-A1063 PolarHBondContact O-N 3.47Å; E1060-A1063 PolarHBondContact O-N 2.73Å; V1061-A1063 VanDerWaalsContact C-N 3.35Å; V1061-A1063 PolarHBondContact O-N 3.32Å; A1063-K1066 PolarHBondContact O-N 3.15Å; A1063-A1067 WeakPolarHBondContact O-CB 3.48Å; A1063-A1067 PolarHBondContact O-N 3.22Å; A1063-A1067 VanDerWaalsContact O-N 3.13Å
1064	I	85.4	Confident	85.5	Confident	46 Å²	46	54.3 Å²	54.3	24%	0.236	30%	0.301	C	S	.	.	H	α-helix	trans	-63.2	-49.3	175.6	-68.6	163.8	0	0	0	110.3	M778 E1060 V1061 K1066 A1067 L1068	M778-I1064 HydrophobicContact CE-CB 4.35Å; M778-I1064 HydrophobicContact CE-CG2 3.77Å; E1060-I1064 HydrophobicContact CG-CD1 4.04Å; E1060-I1064 VanDerWaalsContact O-CG1 3.31Å; E1060-I1064 WeakPolarHBondContact O-CG1 3.22Å; E1060-I1064 PolarHBondContact O-N 3.5Å; V1061-I1064 PolarHBondContact O-N 3.2Å; I1064-K1066 VanDerWaalsContact C-N 3.27Å; I1064-K1066 PolarHBondContact O-N 3.49Å; I1064-A1067 PolarHBondContact O-N 3.49Å; I1064-L1068 PolarHBondContact O-N 3.32Å; I1064-L1068 VanDerWaalsContact O-N 3.12Å
1065	L	85.4	Confident	85	Confident	18 Å²	18	57.7 Å²	57.7	9%	0.094	32%	0.32	C	S	.	.	H	α-helix	trans	-58.4	-37.4	177.6	-73.6	168.7	0	0	0	112.7	I780 L787 V1061 A1067	I780-L1065 HydrophobicContact CG2-CD2 4.26Å; L787-L1065 HydrophobicContact CB-CD1 4.44Å; L787-L1065 HydrophobicContact CD2-CD1 4.01Å; V1061-L1065 HydrophobicContact CG1-CD1 4.04Å; V1061-L1065 WeakPolarHBondContact O-CB 3.42Å; V1061-L1065 WeakPolarHBondContact O-CG 3.45Å; V1061-L1065 PolarHBondContact O-N 3.42Å; L1065-A1067 VanDerWaalsContact C-N 3.3Å; L1065-A1067 PolarHBondContact O-N 3.44Å
1066	K	86.2	Confident	84.4	Confident	151 Å²	151	58.3 Å²	58.3	66%	0.657	32%	0.321	S	S	*	.	H	α-helix	trans	-72.9	-17.9	174.9	-76.6	166.7	174.6	154	0	114.4	N1062 A1063 I1064	N1062-K1066 WeakPolarHBondContact O-CB 3.12Å; N1062-K1066 WeakPolarHBondContact O-CD 3.2Å; N1062-K1066 VanDerWaalsContact O-CG 3.32Å; N1062-K1066 WeakPolarHBondContact O-CG 3.46Å; N1062-K1066 PolarHBondContact O-N 3.33Å; N1062-K1066 VanDerWaalsContact O-N 3.09Å; N1062-K1066 WeakPolarHBondContact OD1-CE 3.19Å; N1062-K1066 PolarHBondContact OD1-NZ 3.47Å; A1063-K1066 PolarHBondContact O-N 3.15Å; I1064-K1066 VanDerWaalsContact C-N 3.27Å; I1064-K1066 PolarHBondContact O-N 3.49Å
1067	A	83.6	Confident	83.6	Confident	85 Å²	85	62.5 Å²	62.5	70%	0.702	34%	0.344	S	S	*	.	H	α-helix	trans	-94.3	-17.2	178.7	0	0	0	0	0	113.3	A1063 I1064 L1065	A1063-A1067 WeakPolarHBondContact O-CB 3.48Å; A1063-A1067 PolarHBondContact O-N 3.22Å; A1063-A1067 VanDerWaalsContact O-N 3.13Å; I1064-A1067 PolarHBondContact O-N 3.49Å; L1065-A1067 VanDerWaalsContact C-N 3.3Å; L1065-A1067 PolarHBondContact O-N 3.44Å
1068	L	76.3	Confident	82.9	Confident	48 Å²	48	67.3 Å²	67.3	25%	0.251	37%	0.371	S	S	.	.	S	Bend	trans	-71.7	143	172.5	-68.7	172.5	0	0	0	110.7	I780 I1064	I780-L1068 HydrophobicContact CG1-CD1 3.73Å; I1064-L1068 PolarHBondContact O-N 3.32Å; I1064-L1068 VanDerWaalsContact O-N 3.12Å
1069	P	65.8	Low	82.1	Confident	114 Å²	114	72.1 Å²	72.1	74%	0.74	40%	0.395	S	S	*	.			trans	-66.5	134.3	173.1	28.5	-33.6	0	0	0	110.6
1070	Q	49.9	Very low	81.1	Confident	252 Å²	252	73.7 Å²	73.7	100%	1.178	41%	0.408	S	S	*	.			trans	-85.8	0	176.9	-62.4	-178.2	-8.2	0	0	111.8

Retrieved 1,070 of 1,070 residues in 642.4 ms (Link to these results)

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