A0A087Y8R3_POEFO Loading...

DNA replication licensing factor MCM6

Acts as component of the MCM2-7 complex (MCM complex) which is the replicative helicase essential for 'once per cell cycle' DNA replication initiation and elongation in eukaryotic cells. The active ATPase sites in the MCM2-7 ring are formed through the interaction surfaces of two neighboring subunits such that a critical structure of a conserved arginine finger motif is provided in trans relative to the ATP-binding site of the Walker A box of the adjacent subunit. The six ATPase active sites, however, are likely to contribute differentially to the complex helicase activity.

AlphaFold DB , UniProt , Accession A0A087Y8R3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 825 aa.

						>A0A087Y8R3_POEFO|A0A087Y8R3
MDVATATAENAGTTVKDELAEKCQKLFQAFLEEFQTGDGEVKYVREAEELIRPERNTLLVSFLDLEGFNQELATTIQEEYYRVYPFLCRAVRNFARDHGNVPLNKEFYVAIEDLPTRHKIRELSSMRIGTLVKISGQVVRTHPVHPELVSGTFLCMDCQAVIKDVPQQFKYSPPTICRNPVCNNRSRFHLDTHKSKFIDFQKVRIQETQAELPRGSIPRSLEIILRAEAVETAQAGDRCDFTGTLIVVPDVSQLSTPGLRAETSTRVPGRPQGLESEGLRGLKALGVRELSYRLAFLACNVAPTNPRFGGKELRDEEQTAESIKSQMTEKEWEKVFEMSQDKNLYHNLCTSLFPTIHGNDEVKRGILLMLFGGVPKTTMEGTSLRGDVNVCIVGDPSTAKSQFLKHVEEFSPRAVYTSGKASSAAGLTAAVVRDEESHEFVIEAGALMLADNGVCCIDEFDKMDLKDQVAIHEAMEQQTISITKAGVKATLNARTSILAAANPVSGRYDRSKSLKQNINLTAPIMSRFDLFFILVDECNEVTDYAIARRIVDLHSRVEESVDRLYSLDEIRRYLLFARQFKPKISSESEEFIVEQYKRLRQRDGSGSVSKSAWRITVRQLESMIRLSEAMARMHCCDEVQPKHVKEAFRLLNKSIIRVETPDINLEQEEETEEESQQEDGNNIPNGVNGVNGHVDGVNGHVNGDVNGHADLGAQPKPSLRLSFAEYKRISNLLVLHLRRAEDAEEEEELKKTAVVNWYLKEIESEIDSEEELINRKGLIEKVIHRLVHYDHILIELSQVGLKGSESESSEGDGVLVVNPNYILED
					

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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	30.5	Very low	33.7	Very low	235 Å²	235	136.6 Å²	136.6	100%	1.158	83%	0.83	S	S	*	*				0	85.4	0	-83	-176.5	177.2	0	0	106.1
2	D	27	Very low	34.8	Very low	151 Å²	151	131.2 Å²	131.2	81%	0.807	82%	0.822	S	S	*	*			trans	-92.5	116.8	-174	-70.1	-35.8	0	0	0	109.9	A4	D2-A4 VanDerWaalsContact C-N 3.25Å; D2-A4 PolarHBondContact O-N 3.49Å
3	V	30.1	Very low	36.3	Very low	146 Å²	146	131.6 Å²	131.6	89%	0.885	82%	0.823	S	S	*	*			trans	-77	75.5	179.8	-174.7	0	0	0	0	108.4
4	A	30.4	Very low	38.2	Very low	87 Å²	87	130.9 Å²	130.9	72%	0.719	82%	0.817	S	S	*	*			trans	-136.1	12.8	178.7	0	0	0	0	0	114.2	D2	D2-A4 VanDerWaalsContact C-N 3.25Å; D2-A4 PolarHBondContact O-N 3.49Å
5	T	32.9	Very low	41.1	Very low	138 Å²	138	131.7 Å²	131.7	85%	0.847	82%	0.821	S	S	*	*	S	Bend	trans	-105.7	3.6	-177.3	45.7	0	0	0	0	115.3
6	A	29.6	Very low	43.2	Very low	82 Å²	82	132.4 Å²	132.4	68%	0.678	81%	0.808	S	S	*	*	S	Bend	trans	-113.8	15.8	-166.9	0	0	0	0	0	117.2
7	T	33	Very low	45.6	Very low	142 Å²	142	126.9 Å²	126.9	87%	0.871	77%	0.773	S	S	*	*			trans	-133.8	41.3	-179.6	51.1	0	0	0	0	114.4
8	A	37.9	Very low	47.8	Very low	89 Å²	89	129.1 Å²	129.1	74%	0.736	77%	0.773	S	S	*	*			trans	-111.9	26.3	174.6	0	0	0	0	0	113.7
9	E	34.3	Very low	49.9	Very low	182 Å²	182	125.8 Å²	125.8	85%	0.85	75%	0.751	S	S	*	*	S	Bend	trans	-96.9	-4.7	-176.8	-69.3	-171.7	161.3	0	0	115
10	N	39.4	Very low	51.7	Low	171 Å²	171	119.5 Å²	119.5	91%	0.914	71%	0.713	S	S	*	*	S	Bend	trans	-124.9	22.9	-177.5	-78.7	-27.2	0	0	0	115.2
11	A	45.4	Very low	53.4	Low	80 Å²	80	117 Å²	117	66%	0.661	69%	0.694	S	S	*	*	S	Bend	trans	-99.3	120.1	158.3	0	0	0	0	0	106.7	T13	A11-T13 PolarHBondContact O-N 3.18Å
12	G	47.2	Very low	56.2	Low	71 Å²	71	111.8 Å²	111.8	73%	0.732	67%	0.665	S	S	*	*			trans	-46.1	136.5	177.6	0	0	0	0	0	110.8	T14	G12-T14 PolarHBondContact O-N 3.37Å
13	T	54.1	Low	59.2	Low	137 Å²	137	104.8 Å²	104.8	84%	0.84	63%	0.628	S	S	*	*			trans	-46.5	110.8	-175.6	44.7	0	0	0	0	110.4	A11 V15	A11-T13 PolarHBondContact O-N 3.18Å; T13-V15 PolarHBondContact O-N 3.01Å
14	T	63.6	Low	62.1	Low	121 Å²	121	99.5 Å²	99.5	74%	0.742	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-59.1	121.3	172.8	50.2	0	0	0	0	107.9	G12 K16	G12-T14 PolarHBondContact O-N 3.37Å; T14-K16 PolarHBondContact O-N 3.47Å; T14-K16 VanDerWaalsContact O-N 3.17Å
15	V	80.5	Confident	65	Low	144 Å²	144	102.6 Å²	102.6	87%	0.873	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-62.8	120.5	175.9	-179.7	0	0	0	0	107.2	T13	T13-V15 PolarHBondContact O-N 3.01Å
16	K	75.3	Confident	67.8	Low	143 Å²	143	98.7 Å²	98.7	62%	0.622	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-75.6	133.4	177.5	-67.4	-172.8	176.7	-172.8	0	109	T14 E18	T14-K16 PolarHBondContact O-N 3.47Å; T14-K16 VanDerWaalsContact O-N 3.17Å; K16-E18 PolarHBondContact O-N 3.45Å
17	D	83.3	Confident	70.8	Confident	39 Å²	39	95 Å²	95	21%	0.209	53%	0.533	C	S	.	.			trans	-84.6	94.4	173.5	-167.3	-21.4	0	0	0	108.7	L19 A20 E21 R82 F86	D17-L19 VanDerWaalsContact C-N 3.28Å; D17-L19 PolarHBondContact O-N 3.34Å; D17-L19 PolarHBondContact OD1-N 3.2Å; D17-A20 HydrophobicContact CB-CB 3.94Å; D17-A20 PolarHBondContact O-N 3.29Å; D17-A20 PolarHBondContact OD1-N 3.08Å; D17-E21 PolarHBondContact O-N 3.26Å; D17-R82 IonicContact OD1-CZ 3.99Å; D17-R82 IonicContact OD1-NE 3.6Å; D17-R82 IonicContact OD1-NH2 3.49Å; D17-R82 PolarHBondContact OD1-NH2 3.35Å; D17-R82 IonicContact OD2-CZ 3.07Å; D17-R82 VanDerWaalsContact OD2-CZ 3.29Å; D17-R82 IonicContact OD2-NE 3.97Å; D17-R82 PolarHBondContact OD2-NE 3.15Å; D17-R82 IonicContact OD2-NH2 2.75Å; D17-R82 PolarHBondContact OD2-NH2 2.99Å; D17-F86 HydrophobicContact CB-CZ 4.44Å
18	E	86.9	Confident	73.5	Confident	165 Å²	165	90.1 Å²	90.1	77%	0.771	50%	0.501	S	S	*	.	H	α-helix	trans	-61.3	-36.7	-175.7	-64.7	-171.6	168.7	0	0	112.6	K16 K22	K16-E18 PolarHBondContact O-N 3.45Å; E18-K22 VanDerWaalsContact O-CB 3.25Å; E18-K22 WeakPolarHBondContact O-CB 3.45Å; E18-K22 PolarHBondContact O-N 3.48Å
19	L	86.4	Confident	76	Confident	67 Å²	67	87.2 Å²	87.2	35%	0.351	48%	0.477	S	S	.	.	H	α-helix	trans	-66.5	-46.6	179	-177.5	149.1	0	0	0	110.4	D17 K22 C23 T75 V83	D17-L19 VanDerWaalsContact C-N 3.28Å; D17-L19 PolarHBondContact O-N 3.34Å; D17-L19 PolarHBondContact OD1-N 3.2Å; L19-K22 PolarHBondContact O-N 3.39Å; L19-C23 WeakPolarHBondContact O-CB 3.21Å; L19-C23 PolarHBondContact O-N 3.44Å; L19-T75 HydrophobicContact CD2-CG2 3.86Å; L19-T75 HydrophobicContact CG-CG2 4.5Å; L19-V83 HydrophobicContact CD2-CG1 4.06Å
20	A	86.1	Confident	78.7	Confident	0 Å²	0	78.6 Å²	78.6	0%	0	44%	0.436	C	S	.	.	H	α-helix	trans	-68.8	-37.8	-179.6	0	0	0	0	0	112.6	D17 C23 Q24 F86	D17-A20 HydrophobicContact CB-CB 3.94Å; D17-A20 PolarHBondContact O-N 3.29Å; D17-A20 PolarHBondContact OD1-N 3.08Å; A20-C23 PolarHBondContact O-N 3.08Å; A20-Q24 WeakPolarHBondContact O-CB 3.45Å; A20-Q24 PolarHBondContact O-N 3.43Å; A20-F86 HydrophobicContact CB-CD1 4.06Å; A20-F86 HydrophobicContact CB-CD2 3.53Å; A20-F86 HydrophobicContact CB-CE1 4.01Å; A20-F86 HydrophobicContact CB-CE2 3.47Å; A20-F86 VanDerWaalsContact CB-CE2 3.47Å; A20-F86 HydrophobicContact CB-CG 3.82Å; A20-F86 HydrophobicContact CB-CZ 3.71Å
21	E	87.9	Confident	81	Confident	67 Å²	67	70.4 Å²	70.4	31%	0.313	39%	0.393	S	S	.	.	H	α-helix	trans	-67.2	-38.2	173.6	-74.5	-173.4	-174.8	0	0	112.2	D17 Q24 K25	D17-E21 PolarHBondContact O-N 3.26Å; E21-Q24 WeakPolarHBondContact O-CB 3.37Å; E21-Q24 PolarHBondContact O-N 2.84Å; E21-K25 WeakPolarHBondContact O-CG 3.34Å; E21-K25 PolarHBondContact O-N 3.41Å; E21-K25 VanDerWaalsContact O-N 3.14Å
22	K	89.6	Confident	82.9	Confident	125 Å²	125	70.6 Å²	70.6	54%	0.543	38%	0.38	S	S	.	.	H	α-helix	trans	-63.3	-46.7	173.6	-173.4	-175.4	177.5	-166.4	0	110.6	E18 L19 Q24 K25 L26	E18-K22 VanDerWaalsContact O-CB 3.25Å; E18-K22 WeakPolarHBondContact O-CB 3.45Å; E18-K22 PolarHBondContact O-N 3.48Å; L19-K22 PolarHBondContact O-N 3.39Å; K22-Q24 VanDerWaalsContact C-N 3.33Å; K22-Q24 PolarHBondContact O-N 3.42Å; K22-K25 PolarHBondContact O-N 2.86Å; K22-L26 HydrophobicContact CG-CD1 4.11Å; K22-L26 WeakPolarHBondContact O-CG 3.38Å; K22-L26 PolarHBondContact O-N 2.93Å
23	C	89.4	Confident	84.8	Confident	5 Å²	5	72.9 Å²	72.9	3%	0.034	37%	0.371	C	S	.	.	H	α-helix	trans	-58.2	-44.1	175.7	-175.9	0	0	0	0	111.4	L19 A20 K25 L26 F27 L72 V83	L19-C23 WeakPolarHBondContact O-CB 3.21Å; L19-C23 PolarHBondContact O-N 3.44Å; A20-C23 PolarHBondContact O-N 3.08Å; C23-K25 PolarHBondContact O-N 3.36Å; C23-L26 PolarHBondContact O-N 3.08Å; C23-F27 VanDerWaalsContact O-CB 3.26Å; C23-F27 WeakPolarHBondContact O-CB 3.18Å; C23-F27 PolarHBondContact O-N 3.21Å; C23-L72 HydrophobicContact CB-CD1 4.37Å; C23-L72 WeakPolarHBondContact SG-CD1 3.42Å; C23-V83 HydrophobicContact CB-CG1 4.48Å
24	Q	91	Very high	86.2	Confident	35 Å²	35	67.7 Å²	67.7	16%	0.164	34%	0.337	C	S	.	.	H	α-helix	trans	-56.8	-46.8	176.3	-171.2	-174.7	-21	0	0	112.6	A20 E21 K22 Q28 F86 A90	A20-Q24 WeakPolarHBondContact O-CB 3.45Å; A20-Q24 PolarHBondContact O-N 3.43Å; E21-Q24 WeakPolarHBondContact O-CB 3.37Å; E21-Q24 PolarHBondContact O-N 2.84Å; K22-Q24 VanDerWaalsContact C-N 3.33Å; K22-Q24 PolarHBondContact O-N 3.42Å; Q24-Q28 WeakPolarHBondContact O-CB 3.36Å; Q24-Q28 PolarHBondContact O-N 3.43Å; Q24-F86 HydrophobicContact CB-CB 4.28Å; Q24-A90 HydrophobicContact CG-CB 3.9Å
25	K	91	Very high	87.1	Confident	152 Å²	152	67.6 Å²	67.6	66%	0.661	33%	0.328	S	S	*	.	H	α-helix	trans	-67.1	-44	-179.9	-71	176.9	-177.3	175.5	0	112.1	E21 K22 C23 F27 Q28 A29	E21-K25 WeakPolarHBondContact O-CG 3.34Å; E21-K25 PolarHBondContact O-N 3.41Å; E21-K25 VanDerWaalsContact O-N 3.14Å; K22-K25 PolarHBondContact O-N 2.86Å; C23-K25 PolarHBondContact O-N 3.36Å; K25-F27 VanDerWaalsContact C-N 3.33Å; K25-Q28 PolarHBondContact O-N 3.25Å; K25-A29 PolarHBondContact O-N 3.29Å
26	L	91.8	Very high	86.9	Confident	56 Å²	56	63.1 Å²	63.1	29%	0.293	30%	0.301	S	S	.	.	H	α-helix	trans	-64	-40.2	178.1	-70.6	173.5	0	0	0	111.5	K22 C23 A29 F30 L72	K22-L26 HydrophobicContact CG-CD1 4.11Å; K22-L26 WeakPolarHBondContact O-CG 3.38Å; K22-L26 PolarHBondContact O-N 2.93Å; C23-L26 PolarHBondContact O-N 3.08Å; L26-A29 PolarHBondContact O-N 3.01Å; L26-F30 PolarHBondContact O-N 3.04Å; L26-L72 HydrophobicContact CB-CD1 4.08Å; L26-L72 HydrophobicContact CB-CD2 4.23Å
27	F	91.9	Very high	86.6	Confident	3 Å²	3	60.5 Å²	60.5	1%	0.013	32%	0.315	C	S	.	.	H	α-helix	trans	-69	-37.6	177.2	-170.8	-101.7	0	0	0	112.3	C23 K25 F30 L31 V60 L65 L72 I76 L87 A90 V91 V109	C23-F27 VanDerWaalsContact O-CB 3.26Å; C23-F27 WeakPolarHBondContact O-CB 3.18Å; C23-F27 PolarHBondContact O-N 3.21Å; K25-F27 VanDerWaalsContact C-N 3.33Å; F27-F30 HydrophobicContact CD2-CD1 4.27Å; F27-F30 HydrophobicContact CE2-CD1 4.21Å; F27-F30 HydrophobicContact CE2-CE1 4.48Å; F27-F30 WeakPolarHBondContact O-CB 3.24Å; F27-F30 PolarHBondContact O-N 3.44Å; F27-L31 HydrophobicContact CD1-CD1 4.05Å; F27-L31 HydrophobicContact CD1-CG 4.44Å; F27-L31 HydrophobicContact CE1-CD1 3.74Å; F27-L31 HydrophobicContact CE1-CD2 4.49Å; F27-L31 HydrophobicContact CE1-CG 4.19Å; F27-L31 HydrophobicContact CZ-CD1 4.5Å; F27-L31 HydrophobicContact CZ-CD2 4.47Å; F27-L31 WeakPolarHBondContact O-CG 3.13Å; F27-L31 PolarHBondContact O-N 2.96Å; F27-L31 VanDerWaalsContact O-N 3.11Å; F27-V60 HydrophobicContact CE2-CG1 4.46Å; F27-V60 HydrophobicContact CZ-CG1 4.5Å; F27-V60 HydrophobicContact CZ-CG2 4.28Å; F27-L65 HydrophobicContact CD2-CD1 4.02Å; F27-L65 HydrophobicContact CE2-CD1 3.75Å; F27-L72 HydrophobicContact CB-CD2 4.33Å; F27-L72 HydrophobicContact CD2-CD2 4.31Å; F27-I76 HydrophobicContact CD2-CD1 4.17Å; F27-L87 HydrophobicContact CB-CD2 3.92Å; F27-L87 HydrophobicContact CD1-CD2 3.88Å; F27-L87 HydrophobicContact CD2-CD2 3.89Å; F27-L87 HydrophobicContact CE1-CD2 4.33Å; F27-L87 HydrophobicContact CE2-CD2 4.35Å; F27-L87 HydrophobicContact CG-CD2 3.61Å; F27-A90 HydrophobicContact CD1-CB 3.8Å; F27-V91 HydrophobicContact CE1-CG2 3.98Å; F27-V109 HydrophobicContact CZ-CG1 4.16Å
28	Q	90.6	Very high	85.8	Confident	41 Å²	41	65.7 Å²	65.7	19%	0.192	34%	0.343	C	S	.	.	H	α-helix	trans	-63	-45.4	172.7	-179.8	170.5	-6.7	0	0	111.4	Q24 K25 F30 L31 E32 A90	Q24-Q28 WeakPolarHBondContact O-CB 3.36Å; Q24-Q28 PolarHBondContact O-N 3.43Å; K25-Q28 PolarHBondContact O-N 3.25Å; Q28-F30 VanDerWaalsContact C-N 3.29Å; Q28-F30 PolarHBondContact O-N 3.35Å; Q28-L31 PolarHBondContact O-N 3.02Å; Q28-L31 VanDerWaalsContact O-N 3.17Å; Q28-E32 VanDerWaalsContact CG-OE1 3.27Å; Q28-E32 WeakPolarHBondContact CG-OE1 3.32Å; Q28-E32 PolarHBondContact NE2-OE1 3.11Å; Q28-E32 PolarHBondContact O-N 3.24Å; Q28-A90 HydrophobicContact CB-CB 4.39Å
29	A	89.7	Confident	85.2	Confident	28 Å²	28	60.1 Å²	60.1	23%	0.231	33%	0.329	C	S	.	.	H	α-helix	trans	-59.9	-40.4	175.5	0	0	0	0	0	111.9	K25 L26 L31 E32 E33	K25-A29 PolarHBondContact O-N 3.29Å; L26-A29 PolarHBondContact O-N 3.01Å; A29-L31 PolarHBondContact O-N 3.34Å; A29-E32 PolarHBondContact O-N 3.07Å; A29-E33 VanDerWaalsContact O-CB 3.3Å; A29-E33 WeakPolarHBondContact O-CB 3.45Å; A29-E33 WeakPolarHBondContact O-CG 3.35Å; A29-E33 PolarHBondContact O-N 3.3Å
30	F	91.1	Very high	84.7	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-57.6	-45.5	173.9	163.7	-104.8	0	0	0	112.4	L26 F27 Q28 E32 F34 Y43 V60 D64 L65 F68	L26-F30 PolarHBondContact O-N 3.04Å; F27-F30 HydrophobicContact CD2-CD1 4.27Å; F27-F30 HydrophobicContact CE2-CD1 4.21Å; F27-F30 HydrophobicContact CE2-CE1 4.48Å; F27-F30 WeakPolarHBondContact O-CB 3.24Å; F27-F30 PolarHBondContact O-N 3.44Å; Q28-F30 VanDerWaalsContact C-N 3.29Å; Q28-F30 PolarHBondContact O-N 3.35Å; F30-E32 VanDerWaalsContact C-N 3.27Å; F30-E32 PolarHBondContact O-N 3.43Å; F30-F34 HydrophobicContact CD2-CB 3.96Å; F30-F34 HydrophobicContact CD2-CD2 4.21Å; F30-F34 HydrophobicContact CD2-CG 4.28Å; F30-F34 HydrophobicContact CE2-CB 3.86Å; F30-F34 HydrophobicContact CE2-CD1 4.45Å; F30-F34 AromaticContact CE2-CD2 3.64Å; F30-F34 HydrophobicContact CE2-CD2 3.64Å; F30-F34 HydrophobicContact CE2-CE2 4.29Å; F30-F34 AromaticContact CE2-CG 3.72Å; F30-F34 HydrophobicContact CE2-CG 3.72Å; F30-F34 HydrophobicContact CZ-CG 4.38Å; F30-F34 WeakPolarHBondContact O-CB 3.28Å; F30-F34 PolarHBondContact O-N 3.04Å; F30-Y43 HydrophobicContact CE1-CD2 4.45Å; F30-Y43 AromaticContact CE1-CE2 3.84Å; F30-Y43 HydrophobicContact CE1-CE2 3.84Å; F30-Y43 HydrophobicContact CE2-CE2 4.38Å; F30-Y43 HydrophobicContact CZ-CD2 4.47Å; F30-Y43 AromaticContact CZ-CE2 3.56Å; F30-Y43 HydrophobicContact CZ-CE2 3.56Å; F30-V60 HydrophobicContact CE1-CG1 3.73Å; F30-V60 HydrophobicContact CZ-CG1 4.28Å; F30-D64 HydrophobicContact CE2-CB 4.36Å; F30-D64 HydrophobicContact CZ-CB 4.08Å; F30-L65 HydrophobicContact CE1-CB 4.48Å; F30-L65 HydrophobicContact CE1-CD1 4.5Å; F30-L65 HydrophobicContact CE2-CB 4.4Å; F30-L65 HydrophobicContact CZ-CB 4.09Å; F30-F68 HydrophobicContact CB-CD1 3.84Å; F30-F68 HydrophobicContact CB-CE1 3.93Å; F30-F68 HydrophobicContact CD2-CB 3.63Å; F30-F68 AromaticContact CD2-CD1 3.71Å; F30-F68 HydrophobicContact CD2-CD1 3.71Å; F30-F68 AromaticContact CD2-CG 3.72Å; F30-F68 HydrophobicContact CD2-CG 3.72Å; F30-F68 HydrophobicContact CE2-CB 3.96Å; F30-F68 HydrophobicContact CE2-CG 4.5Å; F30-F68 HydrophobicContact CG-CD1 4.25Å
31	L	87.6	Confident	84.4	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-65.3	-30.7	179.6	-67.6	174.4	0	0	0	113.1	F27 Q28 A29 Y43 L58 V60 V91 F94	F27-L31 HydrophobicContact CD1-CD1 4.05Å; F27-L31 HydrophobicContact CD1-CG 4.44Å; F27-L31 HydrophobicContact CE1-CD1 3.74Å; F27-L31 HydrophobicContact CE1-CD2 4.49Å; F27-L31 HydrophobicContact CE1-CG 4.19Å; F27-L31 HydrophobicContact CZ-CD1 4.5Å; F27-L31 HydrophobicContact CZ-CD2 4.47Å; F27-L31 WeakPolarHBondContact O-CG 3.13Å; F27-L31 PolarHBondContact O-N 2.96Å; F27-L31 VanDerWaalsContact O-N 3.11Å; Q28-L31 PolarHBondContact O-N 3.02Å; Q28-L31 VanDerWaalsContact O-N 3.17Å; A29-L31 PolarHBondContact O-N 3.34Å; L31-Y43 HydrophobicContact CD2-CD2 4.22Å; L31-Y43 HydrophobicContact CD2-CG 4.08Å; L31-L58 HydrophobicContact CD1-CD2 4.42Å; L31-L58 HydrophobicContact CD2-CD2 4.01Å; L31-V60 HydrophobicContact CD2-CG2 4.41Å; L31-V91 HydrophobicContact CD1-CG2 3.99Å; L31-F94 HydrophobicContact CB-CD1 4.2Å; L31-F94 HydrophobicContact CB-CD2 3.9Å; L31-F94 HydrophobicContact CB-CE1 4.17Å; L31-F94 HydrophobicContact CB-CE2 3.89Å; L31-F94 HydrophobicContact CB-CG 4.06Å; L31-F94 HydrophobicContact CB-CZ 4.03Å; L31-F94 HydrophobicContact CD1-CB 4.17Å; L31-F94 HydrophobicContact CD1-CD1 4.12Å; L31-F94 HydrophobicContact CD1-CG 4.1Å; L31-F94 WeakPolarHBondContact O-CE2 3.14Å; L31-F94 WeakPolarHBondContact O-CZ 3.46Å
32	E	86.2	Confident	84	Confident	83 Å²	83	65.1 Å²	65.1	39%	0.388	35%	0.352	S	S	.	.	H	α-helix	trans	-85.1	-37.2	-179.1	-68.9	170.5	-163.6	0	0	112.8	Q28 A29 F30 F94	Q28-E32 VanDerWaalsContact CG-OE1 3.27Å; Q28-E32 WeakPolarHBondContact CG-OE1 3.32Å; Q28-E32 PolarHBondContact NE2-OE1 3.11Å; Q28-E32 PolarHBondContact O-N 3.24Å; A29-E32 PolarHBondContact O-N 3.07Å; F30-E32 VanDerWaalsContact C-N 3.27Å; F30-E32 PolarHBondContact O-N 3.43Å; E32-F94 HydrophobicContact CB-CE2 4.46Å; E32-F94 HydrophobicContact CG-CD2 3.7Å; E32-F94 HydrophobicContact CG-CE2 3.66Å
33	E	86.1	Confident	83.8	Confident	120 Å²	120	59.2 Å²	59.2	56%	0.561	33%	0.327	S	S	*	.	H	α-helix	trans	-97.7	-20.8	-170.6	-64.5	-178.9	176	0	0	114	A29 Q35 F68	A29-E33 VanDerWaalsContact O-CB 3.3Å; A29-E33 WeakPolarHBondContact O-CB 3.45Å; A29-E33 WeakPolarHBondContact O-CG 3.35Å; A29-E33 PolarHBondContact O-N 3.3Å; E33-Q35 PolarHBondContact O-N 3.41Å; E33-F68 HydrophobicContact CB-CE2 4.1Å; E33-F68 HydrophobicContact CB-CZ 4.23Å; E33-F68 WeakPolarHBondContact OE2-CZ 3.02Å
34	F	84.4	Confident	83.6	Confident	27 Å²	27	60.4 Å²	60.4	12%	0.118	33%	0.334	C	S	.	.			trans	-69.1	115.8	-173.4	-175.7	-98	0	0	0	112.6	F30 V41 K42 Y43 D64 F68	F30-F34 HydrophobicContact CD2-CB 3.96Å; F30-F34 HydrophobicContact CD2-CD2 4.21Å; F30-F34 HydrophobicContact CD2-CG 4.28Å; F30-F34 HydrophobicContact CE2-CB 3.86Å; F30-F34 HydrophobicContact CE2-CD1 4.45Å; F30-F34 AromaticContact CE2-CD2 3.64Å; F30-F34 HydrophobicContact CE2-CD2 3.64Å; F30-F34 HydrophobicContact CE2-CE2 4.29Å; F30-F34 AromaticContact CE2-CG 3.72Å; F30-F34 HydrophobicContact CE2-CG 3.72Å; F30-F34 HydrophobicContact CZ-CG 4.38Å; F30-F34 WeakPolarHBondContact O-CB 3.28Å; F30-F34 PolarHBondContact O-N 3.04Å; F34-V41 WeakPolarHBondContact O-CG1 3.28Å; F34-K42 HydrophobicContact CE1-CD 4.5Å; F34-Y43 HydrophobicContact CB-CE2 4.49Å; F34-Y43 HydrophobicContact CD1-CD2 4.14Å; F34-Y43 AromaticContact CD1-CE2 3.65Å; F34-Y43 HydrophobicContact CD1-CE2 3.65Å; F34-Y43 HydrophobicContact CE1-CE2 4.23Å; F34-Y43 HydrophobicContact CG-CE2 4.28Å; F34-D64 HydrophobicContact CD1-CB 4.42Å; F34-D64 HydrophobicContact CE1-CB 3.67Å; F34-D64 VanDerWaalsContact CE1-CG 3.48Å; F34-D64 HydrophobicContact CE2-CB 3.88Å; F34-D64 WeakPolarHBondContact CE2-O 3.43Å; F34-D64 HydrophobicContact CZ-CB 3.36Å; F34-D64 WeakPolarHBondContact CZ-OD1 3.24Å; F34-F68 HydrophobicContact CD2-CB 4.14Å
35	Q	81.6	Confident	83.2	Confident	119 Å²	119	67 Å²	67	56%	0.556	36%	0.357	S	S	*	.	B	Isolated β-bridge	trans	-109.8	137.9	178.9	-67.8	171.6	12.8	0	0	110.7	E33 E40 V41	E33-Q35 PolarHBondContact O-N 3.41Å; Q35-E40 WeakPolarHBondContact CA-O 3.38Å; Q35-V41 HydrophobicContact CG-CG2 4.13Å
36	T	77.2	Confident	82.8	Confident	50 Å²	50	61.7 Å²	61.7	31%	0.307	34%	0.335	S	S	.	.			trans	-73.2	168.3	166.4	27.6	0	0	0	0	110.6	D38 G39 E40 K42	T36-D38 PolarHBondContact O-N 3.38Å; T36-G39 PolarHBondContact O-N 3.48Å; T36-E40 PolarHBondContact N-O 2.84Å; T36-E40 PolarHBondContact OG1-O 3.41Å; T36-K42 HydrophobicContact CG2-CB 4.16Å; T36-K42 HydrophobicContact CG2-CD 4.01Å; T36-K42 HydrophobicContact CG2-CG 4.45Å
37	G	68.3	Low	82.3	Confident	89 Å²	89	59.1 Å²	59.1	92%	0.918	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-15.6	-179	0	0	0	0	0	115.5
38	D	66.9	Low	81.8	Confident	148 Å²	148	64.4 Å²	64.4	79%	0.791	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-0.1	177.7	-54.2	-48.4	0	0	0	113.8	T36 E40	T36-D38 PolarHBondContact O-N 3.38Å; D38-E40 VanDerWaalsContact C-N 3.28Å; D38-E40 PolarHBondContact O-N 3.08Å
39	G	73.5	Confident	81.4	Confident	47 Å²	47	66.3 Å²	66.3	49%	0.485	36%	0.355	S	S	.	.	S	Bend	trans	78.9	3	179.7	0	0	0	0	0	115.2	T36	T36-G39 PolarHBondContact O-N 3.48Å
40	E	77.8	Confident	81	Confident	122 Å²	122	65.2 Å²	65.2	57%	0.57	35%	0.346	S	S	*	.			trans	-87.7	145.6	172.4	-65.2	-170.6	170.9	0	0	111.5	Q35 T36 D38 K42	Q35-E40 WeakPolarHBondContact CA-O 3.38Å; T36-E40 PolarHBondContact N-O 2.84Å; T36-E40 PolarHBondContact OG1-O 3.41Å; D38-E40 VanDerWaalsContact C-N 3.28Å; D38-E40 PolarHBondContact O-N 3.08Å; E40-K42 PolarHBondContact O-N 3.31Å
41	V	77.9	Confident	80.5	Confident	39 Å²	39	68.7 Å²	68.7	24%	0.236	36%	0.363	C	S	.	.	B	Isolated β-bridge	trans	-82.8	109.3	175.2	-173.2	0	0	0	0	108.9	F34 Q35 Y43 V44	F34-V41 WeakPolarHBondContact O-CG1 3.28Å; Q35-V41 HydrophobicContact CG-CG2 4.13Å; V41-Y43 PolarHBondContact O-N 3.24Å; V41-V44 HydrophobicContact CB-CB 4.46Å; V41-V44 HydrophobicContact CB-CG2 3.8Å; V41-V44 HydrophobicContact CG1-CB 4.45Å; V41-V44 HydrophobicContact CG1-CG2 3.52Å; V41-V44 PolarHBondContact O-N 3.34Å
42	K	80.9	Confident	80.2	Confident	78 Å²	78	76.4 Å²	76.4	34%	0.339	39%	0.392	S	S	.	.	H	α-helix	trans	-59	-45.9	-172	-176.8	-179.8	174.3	-174.6	0	113.2	F34 T36 E40 V44 D64	F34-K42 HydrophobicContact CE1-CD 4.5Å; T36-K42 HydrophobicContact CG2-CB 4.16Å; T36-K42 HydrophobicContact CG2-CD 4.01Å; T36-K42 HydrophobicContact CG2-CG 4.45Å; E40-K42 PolarHBondContact O-N 3.31Å; K42-V44 VanDerWaalsContact C-N 3.34Å; K42-V44 PolarHBondContact O-N 3.3Å; K42-D64 IonicContact NZ-OD2 3.72Å; K42-D64 PolarHBondContact NZ-OD2 3.11Å
43	Y	85.2	Confident	79.7	Confident	2 Å²	2	78.2 Å²	78.2	1%	0.008	41%	0.411	C	S	.	.	H	α-helix	trans	-78.8	-12.8	-170.8	-63.2	-66	0	0	0	114.5	F30 L31 F34 V41 A47 V60 S61 D64	F30-Y43 HydrophobicContact CE1-CD2 4.45Å; F30-Y43 AromaticContact CE1-CE2 3.84Å; F30-Y43 HydrophobicContact CE1-CE2 3.84Å; F30-Y43 HydrophobicContact CE2-CE2 4.38Å; F30-Y43 HydrophobicContact CZ-CD2 4.47Å; F30-Y43 AromaticContact CZ-CE2 3.56Å; F30-Y43 HydrophobicContact CZ-CE2 3.56Å; L31-Y43 HydrophobicContact CD2-CD2 4.22Å; L31-Y43 HydrophobicContact CD2-CG 4.08Å; F34-Y43 HydrophobicContact CB-CE2 4.49Å; F34-Y43 HydrophobicContact CD1-CD2 4.14Å; F34-Y43 AromaticContact CD1-CE2 3.65Å; F34-Y43 HydrophobicContact CD1-CE2 3.65Å; F34-Y43 HydrophobicContact CE1-CE2 4.23Å; F34-Y43 HydrophobicContact CG-CE2 4.28Å; V41-Y43 PolarHBondContact O-N 3.24Å; Y43-A47 WeakPolarHBondContact O-CB 3.39Å; Y43-A47 PolarHBondContact O-N 3.04Å; Y43-V60 HydrophobicContact CE1-CB 4.4Å; Y43-V60 HydrophobicContact CE1-CG1 4.31Å; Y43-V60 HydrophobicContact CE1-CG2 4.29Å; Y43-S61 PolarHBondContact OH-N 3.19Å; Y43-D64 WeakPolarHBondContact OH-CB 3.49Å; Y43-D64 PolarHBondContact OH-OD2 2.92Å
44	V	84.9	Confident	79.4	Confident	29 Å²	29	80.9 Å²	80.9	18%	0.176	42%	0.424	C	S	.	.	H	α-helix	trans	-68	-44.7	179.3	172.2	0	0	0	0	111	V41 K42 E46 A47 E48 F94	V41-V44 HydrophobicContact CB-CB 4.46Å; V41-V44 HydrophobicContact CB-CG2 3.8Å; V41-V44 HydrophobicContact CG1-CB 4.45Å; V41-V44 HydrophobicContact CG1-CG2 3.52Å; V41-V44 PolarHBondContact O-N 3.34Å; K42-V44 VanDerWaalsContact C-N 3.34Å; K42-V44 PolarHBondContact O-N 3.3Å; V44-E46 VanDerWaalsContact C-N 3.3Å; V44-E46 PolarHBondContact O-N 3.09Å; V44-A47 PolarHBondContact O-N 3.24Å; V44-A47 VanDerWaalsContact O-N 3.17Å; V44-E48 PolarHBondContact O-N 3.44Å; V44-F94 HydrophobicContact CG2-CZ 4.08Å
45	R	82.8	Confident	79.3	Confident	173 Å²	173	84.6 Å²	84.6	65%	0.653	44%	0.437	S	S	*	.	H	α-helix	trans	-62.1	-40.2	178.2	-66.5	-176.1	68.3	171.8	-0.7	111.8	E48 E49	R45-E48 PolarHBondContact O-N 3.12Å; R45-E49 PolarHBondContact O-N 3.15Å
46	E	81.6	Confident	79.5	Confident	41 Å²	41	80.9 Å²	80.9	19%	0.192	42%	0.421	C	S	.	.	H	α-helix	trans	-67.5	-40.3	176.4	-61.2	-164.1	151.5	0	0	110.9	V44 E48 E49 L50 L58 K311	V44-E46 VanDerWaalsContact C-N 3.3Å; V44-E46 PolarHBondContact O-N 3.09Å; E46-E48 VanDerWaalsContact C-N 3.31Å; E46-E48 PolarHBondContact O-N 3.29Å; E46-E49 WeakPolarHBondContact O-CA 3.33Å; E46-E49 WeakPolarHBondContact O-CB 3.24Å; E46-E49 PolarHBondContact O-N 2.97Å; E46-L50 WeakPolarHBondContact O-CD1 3.41Å; E46-L50 PolarHBondContact O-N 3.43Å; E46-L58 HydrophobicContact CB-CD1 3.77Å; E46-K311 IonicContact OE1-NZ 3.52Å; E46-K311 PolarHBondContact OE1-NZ 3.37Å
47	A	82.4	Confident	80.1	Confident	3 Å²	3	79.6 Å²	79.6	3%	0.025	41%	0.413	C	S	.	.	H	α-helix	trans	-63	-31.7	174.6	0	0	0	0	0	114.1	Y43 V44 L50 F94	Y43-A47 WeakPolarHBondContact O-CB 3.39Å; Y43-A47 PolarHBondContact O-N 3.04Å; V44-A47 PolarHBondContact O-N 3.24Å; V44-A47 VanDerWaalsContact O-N 3.17Å; A47-L50 WeakPolarHBondContact O-CB 3.23Å; A47-L50 PolarHBondContact O-N 3.3Å; A47-F94 HydrophobicContact CB-CD1 3.93Å; A47-F94 HydrophobicContact CB-CE1 3.51Å; A47-F94 HydrophobicContact CB-CZ 4.47Å
48	E	82	Confident	81.1	Confident	114 Å²	114	75.4 Å²	75.4	53%	0.533	37%	0.37	S	S	.	.	H	α-helix	trans	-65.2	-39	170.1	-70.7	179	173.3	0	0	111.6	V44 R45 E46 L50 I51	V44-E48 PolarHBondContact O-N 3.44Å; R45-E48 PolarHBondContact O-N 3.12Å; E46-E48 VanDerWaalsContact C-N 3.31Å; E46-E48 PolarHBondContact O-N 3.29Å; E48-L50 VanDerWaalsContact C-N 3.29Å; E48-L50 PolarHBondContact O-N 3.15Å; E48-I51 WeakPolarHBondContact O-CB 3.5Å; E48-I51 WeakPolarHBondContact O-CG1 3.37Å; E48-I51 PolarHBondContact O-N 3.48Å
49	E	81.6	Confident	82.2	Confident	81 Å²	81	70.6 Å²	70.6	38%	0.379	34%	0.344	S	S	.	.	H	α-helix	trans	-65.5	-31.5	174.7	-67.5	-168.2	169.3	0	0	112.7	R45 E46 I51 R52 R55	R45-E49 PolarHBondContact O-N 3.15Å; E46-E49 WeakPolarHBondContact O-CA 3.33Å; E46-E49 WeakPolarHBondContact O-CB 3.24Å; E46-E49 PolarHBondContact O-N 2.97Å; E49-I51 PolarHBondContact O-N 3.49Å; E49-I51 VanDerWaalsContact O-N 3.11Å; E49-R52 WeakPolarHBondContact O-CB 3.2Å; E49-R52 WeakPolarHBondContact O-CG 3.33Å; E49-R52 PolarHBondContact O-N 2.55Å; E49-R55 IonicContact OE2-NH1 2.83Å
50	L	81.8	Confident	83	Confident	5 Å²	5	68.4 Å²	68.4	3%	0.026	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-11.5	174.7	-88.6	127.4	0	0	0	114	E46 A47 E48 R52 L58 K105 F107	E46-L50 WeakPolarHBondContact O-CD1 3.41Å; E46-L50 PolarHBondContact O-N 3.43Å; A47-L50 WeakPolarHBondContact O-CB 3.23Å; A47-L50 PolarHBondContact O-N 3.3Å; E48-L50 VanDerWaalsContact C-N 3.29Å; E48-L50 PolarHBondContact O-N 3.15Å; L50-R52 VanDerWaalsContact C-N 3.28Å; L50-L58 HydrophobicContact CD1-CB 3.74Å; L50-L58 HydrophobicContact CD1-CD1 3.42Å; L50-L58 VanDerWaalsContact CD1-CD1 3.42Å; L50-L58 HydrophobicContact CD1-CG 4.11Å; L50-L58 HydrophobicContact CD2-CB 4.45Å; L50-K105 PolarHBondContact O-NZ 2.69Å; L50-F107 HydrophobicContact CB-CE1 4.13Å; L50-F107 HydrophobicContact CD2-CD1 3.35Å; L50-F107 HydrophobicContact CD2-CE1 3.64Å; L50-F107 HydrophobicContact CD2-CG 4.42Å
51	I	79.6	Confident	83.6	Confident	72 Å²	72	63 Å²	63	37%	0.369	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-29.6	172.6	-59.4	172.1	0	0	0	110.6	E48 E49	E48-I51 WeakPolarHBondContact O-CB 3.5Å; E48-I51 WeakPolarHBondContact O-CG1 3.37Å; E48-I51 PolarHBondContact O-N 3.48Å; E49-I51 PolarHBondContact O-N 3.49Å; E49-I51 VanDerWaalsContact O-N 3.11Å
52	R	81.9	Confident	84.2	Confident	162 Å²	162	61.4 Å²	61.4	61%	0.611	29%	0.286	S	S	*	.	S	Bend	trans	-59	139.3	178.9	-65.5	-176.1	-177.9	175.2	5.1	110.7	E49 L50 E54 R55 K105	E49-R52 WeakPolarHBondContact O-CB 3.2Å; E49-R52 WeakPolarHBondContact O-CG 3.33Å; E49-R52 PolarHBondContact O-N 2.55Å; L50-R52 VanDerWaalsContact C-N 3.28Å; R52-E54 VanDerWaalsContact C-N 3.27Å; R52-E54 PolarHBondContact O-N 3.41Å; R52-R55 PolarHBondContact O-N 3.3Å; R52-K105 PolarHBondContact O-NZ 3Å
53	P	75.4	Confident	84.6	Confident	121 Å²	121	61.9 Å²	61.9	79%	0.786	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-32	-171	23.8	-33.4	0	0	0	113.5
54	E	79	Confident	84.8	Confident	177 Å²	177	63.2 Å²	63.2	83%	0.827	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-25.7	-176.1	-63.8	174.8	-177.2	0	0	113.6	R52	R52-E54 VanDerWaalsContact C-N 3.27Å; R52-E54 PolarHBondContact O-N 3.41Å
55	R	83.6	Confident	84.9	Confident	104 Å²	104	62 Å²	62	39%	0.392	29%	0.292	S	S	.	.			trans	-92.3	127.7	-177.2	-81.4	-96	161.3	119	-4.6	110.9	E49 R52 K105 E228	E49-R55 IonicContact OE2-NH1 2.83Å; R52-R55 PolarHBondContact O-N 3.3Å; R55-K105 WeakPolarHBondContact O-CE 3.27Å; R55-K105 PolarHBondContact O-NZ 2.97Å; R55-E228 WeakPolarHBondContact CD-OE1 3.17Å; R55-E228 IonicContact CZ-OE1 3.7Å; R55-E228 IonicContact NE-OE1 2.8Å; R55-E228 PolarHBondContact NE-OE1 2.94Å; R55-E228 IonicContact NE-OE2 3.97Å; R55-E228 IonicContact NH2-OE1 3.69Å
56	N	86.4	Confident	85.2	Confident	41 Å²	41	57.8 Å²	57.8	22%	0.219	28%	0.28	C	S	.	.			trans	-138.5	-1.2	178.9	67.3	14.9	0	0	0	114.7	F107 Y108 E228	N56-F107 CarbonylContact O-C 3.52Å; N56-F107 VanDerWaalsContact O-CA 3.3Å; N56-F107 WeakPolarHBondContact O-CA 3.35Å; N56-Y108 PolarHBondContact O-N 3.3Å; N56-E228 PolarHBondContact N-OE2 3.44Å
57	T	88.5	Confident	85.5	Confident	23 Å²	23	59.1 Å²	59.1	14%	0.141	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	139.3	174.3	52.5	0	0	0	0	110.9	Y108 E228	T57-Y108 WeakPolarHBondContact CA-O 3.37Å; T57-E228 HydrophobicContact CG2-CB 3.79Å; T57-E228 PolarHBondContact OG1-OE2 3.03Å
58	L	89.9	Confident	85.8	Confident	1 Å²	1	62.6 Å²	62.6	1%	0.005	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	126.6	165.4	-178.5	66.9	0	0	0	108.3	L31 E46 L50 V60 V91 Y108 A110	L31-L58 HydrophobicContact CD1-CD2 4.42Å; L31-L58 HydrophobicContact CD2-CD2 4.01Å; E46-L58 HydrophobicContact CB-CD1 3.77Å; L50-L58 HydrophobicContact CD1-CB 3.74Å; L50-L58 HydrophobicContact CD1-CD1 3.42Å; L50-L58 VanDerWaalsContact CD1-CD1 3.42Å; L50-L58 HydrophobicContact CD1-CG 4.11Å; L50-L58 HydrophobicContact CD2-CB 4.45Å; L58-V60 HydrophobicContact CD2-CG2 4.07Å; L58-V60 HydrophobicContact CG-CG2 4.04Å; L58-V91 HydrophobicContact CB-CG1 4.13Å; L58-V91 HydrophobicContact CD2-CG1 4.07Å; L58-V91 HydrophobicContact CD2-CG2 3.94Å; L58-Y108 PolarHBondContact N-O 3.08Å; L58-A110 PolarHBondContact O-N 3.32Å
59	L	89	Confident	86.2	Confident	48 Å²	48	58.9 Å²	58.9	25%	0.251	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	128.1	174.1	-59.6	179.4	0	0	0	108.6	A110 E112	L59-A110 WeakPolarHBondContact CA-O 3.45Å; L59-A110 HydrophobicContact CD2-CB 3.67Å; L59-E112 HydrophobicContact CB-CG 4.22Å; L59-E112 HydrophobicContact CD2-CG 4.32Å
60	V	90.5	Very high	86.6	Confident	1 Å²	1	61.3 Å²	61.3	1%	0.006	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	123.2	179.9	-179.5	0	0	0	0	109	F27 F30 L31 Y43 L58 V109 A110 I111 E112	F27-V60 HydrophobicContact CE2-CG1 4.46Å; F27-V60 HydrophobicContact CZ-CG1 4.5Å; F27-V60 HydrophobicContact CZ-CG2 4.28Å; F30-V60 HydrophobicContact CE1-CG1 3.73Å; F30-V60 HydrophobicContact CZ-CG1 4.28Å; L31-V60 HydrophobicContact CD2-CG2 4.41Å; Y43-V60 HydrophobicContact CE1-CB 4.4Å; Y43-V60 HydrophobicContact CE1-CG1 4.31Å; Y43-V60 HydrophobicContact CE1-CG2 4.29Å; L58-V60 HydrophobicContact CD2-CG2 4.07Å; L58-V60 HydrophobicContact CG-CG2 4.04Å; V60-V109 HydrophobicContact CG2-CG1 4.14Å; V60-A110 PolarHBondContact N-O 3.1Å; V60-I111 CarbonylContact O-C 3.57Å; V60-I111 WeakPolarHBondContact O-CA 3.39Å; V60-E112 PolarHBondContact O-N 3.21Å
61	S	89.9	Confident	87	Confident	8 Å²	8	67.6 Å²	67.6	6%	0.056	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	131.2	177.8	-174.3	0	0	0	0	110.1	Y43 L63 D64 L65 D113	Y43-S61 PolarHBondContact OH-N 3.19Å; S61-L63 VanDerWaalsContact C-N 3.3Å; S61-L63 PolarHBondContact O-N 2.97Å; S61-D64 PolarHBondContact O-N 3.15Å; S61-L65 PolarHBondContact O-N 3.04Å; S61-D113 PolarHBondContact OG-OD2 3.41Å
62	F	90.8	Very high	87.5	Confident	5 Å²	5	64.3 Å²	64.3	2%	0.022	33%	0.327	C	S	.	.	H	α-helix	trans	-67.8	-31.9	178.3	-171.3	-97.3	0	0	0	112.1	L65 E66 A73 Q77 I111 E112 L114 L131	F62-L65 WeakPolarHBondContact O-CB 3.44Å; F62-L65 PolarHBondContact O-N 3.13Å; F62-E66 PolarHBondContact O-N 2.97Å; F62-A73 HydrophobicContact CE2-CB 4.32Å; F62-A73 HydrophobicContact CZ-CB 4Å; F62-Q77 HydrophobicContact CZ-CB 4.42Å; F62-I111 HydrophobicContact CB-CG2 3.83Å; F62-I111 HydrophobicContact CD2-CG2 4.04Å; F62-I111 HydrophobicContact CG-CG2 4.4Å; F62-E112 VanDerWaalsContact CB-O 3.26Å; F62-E112 WeakPolarHBondContact CB-O 3.44Å; F62-E112 PolarHBondContact N-O 3.45Å; F62-L114 HydrophobicContact CB-CD1 4.36Å; F62-L114 HydrophobicContact CB-CG 4.47Å; F62-L114 HydrophobicContact CG-CG 4.31Å; F62-L131 HydrophobicContact CD2-CD2 4.38Å; F62-L131 HydrophobicContact CE2-CD2 4.45Å
63	L	89.1	Confident	88	Confident	89 Å²	89	56.8 Å²	56.8	47%	0.466	30%	0.299	S	S	.	.	H	α-helix	trans	-65.1	-39.7	177.8	-65.1	175.4	0	0	0	112	S61 L65 E66 G67 D113	S61-L63 VanDerWaalsContact C-N 3.3Å; S61-L63 PolarHBondContact O-N 2.97Å; L63-L65 VanDerWaalsContact C-N 3.28Å; L63-L65 PolarHBondContact O-N 2.79Å; L63-E66 PolarHBondContact O-N 3.37Å; L63-G67 PolarHBondContact O-N 2.89Å; L63-D113 HydrophobicContact CD1-CB 4.12Å; L63-D113 HydrophobicContact CG-CB 4.18Å
64	D	89.7	Confident	88.7	Confident	30 Å²	30	53.9 Å²	53.9	16%	0.16	28%	0.28	C	S	.	.	H	α-helix	trans	-62.6	-40.5	175.5	-69.3	-12.2	0	0	0	110.7	F30 F34 K42 Y43 S61 G67 F68	F30-D64 HydrophobicContact CE2-CB 4.36Å; F30-D64 HydrophobicContact CZ-CB 4.08Å; F34-D64 HydrophobicContact CD1-CB 4.42Å; F34-D64 HydrophobicContact CE1-CB 3.67Å; F34-D64 VanDerWaalsContact CE1-CG 3.48Å; F34-D64 HydrophobicContact CE2-CB 3.88Å; F34-D64 WeakPolarHBondContact CE2-O 3.43Å; F34-D64 HydrophobicContact CZ-CB 3.36Å; F34-D64 WeakPolarHBondContact CZ-OD1 3.24Å; K42-D64 IonicContact NZ-OD2 3.72Å; K42-D64 PolarHBondContact NZ-OD2 3.11Å; Y43-D64 WeakPolarHBondContact OH-CB 3.49Å; Y43-D64 PolarHBondContact OH-OD2 2.92Å; S61-D64 PolarHBondContact O-N 3.15Å; D64-G67 PolarHBondContact O-N 2.83Å; D64-F68 PolarHBondContact O-N 3.47Å; D64-F68 VanDerWaalsContact O-N 3.09Å
65	L	88.6	Confident	89.4	Confident	3 Å²	3	47.5 Å²	47.5	2%	0.016	25%	0.253	C	S	.	.	H	α-helix	trans	-68	-42	178.8	-163	155.7	0	0	0	111.6	F27 F30 S61 F62 L63 G67 F68 N69 L72 A73 I76	F27-L65 HydrophobicContact CD2-CD1 4.02Å; F27-L65 HydrophobicContact CE2-CD1 3.75Å; F30-L65 HydrophobicContact CE1-CB 4.48Å; F30-L65 HydrophobicContact CE1-CD1 4.5Å; F30-L65 HydrophobicContact CE2-CB 4.4Å; F30-L65 HydrophobicContact CZ-CB 4.09Å; S61-L65 PolarHBondContact O-N 3.04Å; F62-L65 WeakPolarHBondContact O-CB 3.44Å; F62-L65 PolarHBondContact O-N 3.13Å; L63-L65 VanDerWaalsContact C-N 3.28Å; L63-L65 PolarHBondContact O-N 2.79Å; L65-G67 VanDerWaalsContact C-N 3.34Å; L65-F68 PolarHBondContact O-N 3Å; L65-N69 CarbonylContact O-C 3.52Å; L65-N69 PolarHBondContact O-N 3.28Å; L65-L72 HydrophobicContact CD2-CB 4.24Å; L65-L72 HydrophobicContact CD2-CD2 4.2Å; L65-L72 HydrophobicContact CD2-CG 4.05Å; L65-L72 HydrophobicContact CG-CD2 4.37Å; L65-A73 HydrophobicContact CD2-CB 3.51Å; L65-I76 HydrophobicContact CD1-CD1 3.69Å; L65-I76 HydrophobicContact CD2-CD1 4.27Å
66	E	89	Confident	89.7	Confident	84 Å²	84	42.6 Å²	42.6	39%	0.393	23%	0.234	S	C	.	.	H	α-helix	trans	-62.7	-40.2	173.6	-173.4	173.3	-158.4	0	0	111.9	F62 L63 F68 A73	F62-E66 PolarHBondContact O-N 2.97Å; L63-E66 PolarHBondContact O-N 3.37Å; E66-F68 PolarHBondContact O-N 3.05Å; E66-A73 HydrophobicContact CB-CB 4.44Å
67	G	86.6	Confident	90	Very high	69 Å²	69	43.9 Å²	43.9	71%	0.711	24%	0.239	S	C	*	.	H	α-helix	trans	-65.6	-34.6	177.7	0	0	0	0	0	114	L63 D64 L65	L63-G67 PolarHBondContact O-N 2.89Å; D64-G67 PolarHBondContact O-N 2.83Å; L65-G67 VanDerWaalsContact C-N 3.34Å
68	F	88.4	Confident	90.1	Very high	77 Å²	77	49 Å²	49	34%	0.338	26%	0.261	S	S	.	.	H	α-helix	trans	-82.3	-48.5	177	-176.2	-101.7	0	0	0	112.6	F30 E33 F34 D64 L65 E66	F30-F68 HydrophobicContact CB-CD1 3.84Å; F30-F68 HydrophobicContact CB-CE1 3.93Å; F30-F68 HydrophobicContact CD2-CB 3.63Å; F30-F68 AromaticContact CD2-CD1 3.71Å; F30-F68 HydrophobicContact CD2-CD1 3.71Å; F30-F68 AromaticContact CD2-CG 3.72Å; F30-F68 HydrophobicContact CD2-CG 3.72Å; F30-F68 HydrophobicContact CE2-CB 3.96Å; F30-F68 HydrophobicContact CE2-CG 4.5Å; F30-F68 HydrophobicContact CG-CD1 4.25Å; E33-F68 HydrophobicContact CB-CE2 4.1Å; E33-F68 HydrophobicContact CB-CZ 4.23Å; E33-F68 WeakPolarHBondContact OE2-CZ 3.02Å; F34-F68 HydrophobicContact CD2-CB 4.14Å; D64-F68 PolarHBondContact O-N 3.47Å; D64-F68 VanDerWaalsContact O-N 3.09Å; L65-F68 PolarHBondContact O-N 3Å; E66-F68 PolarHBondContact O-N 3.05Å
69	N	90.9	Very high	90.1	Very high	35 Å²	35	52.4 Å²	52.4	19%	0.187	28%	0.277	C	S	.	.			trans	-151.7	105.7	-175.9	-169.7	-29.9	0	0	0	113	L65 E71 L72 A73	L65-N69 CarbonylContact O-C 3.52Å; L65-N69 PolarHBondContact O-N 3.28Å; N69-E71 PolarHBondContact O-N 3.04Å; N69-E71 WeakPolarHBondContact OD1-CB 3.4Å; N69-E71 PolarHBondContact OD1-N 3.47Å; N69-L72 HydrophobicContact CB-CB 3.98Å; N69-L72 PolarHBondContact O-N 3.14Å; N69-L72 PolarHBondContact OD1-N 3.4Å; N69-L72 VanDerWaalsContact OD1-N 3.09Å; N69-A73 PolarHBondContact O-N 3.12Å; N69-A73 VanDerWaalsContact O-N 3.15Å
70	Q	90.1	Very high	90.3	Very high	133 Å²	133	50.4 Å²	50.4	62%	0.621	27%	0.266	S	S	*	.	H	α-helix	trans	-67.8	-33.5	179.2	-167.2	175.2	17.1	0	0	114.1	L72 A73 T74	Q70-L72 VanDerWaalsContact C-N 3.34Å; Q70-A73 PolarHBondContact O-N 3.01Å; Q70-T74 PolarHBondContact O-N 3.27Å; Q70-T74 PolarHBondContact O-OG1 3.14Å
71	E	90.9	Very high	90.3	Very high	136 Å²	136	55.5 Å²	55.5	64%	0.636	29%	0.286	S	S	*	.	H	α-helix	trans	-66.1	-40.6	177.6	-64.1	-174.7	175.2	0	0	110.9	N69 T75	N69-E71 PolarHBondContact O-N 3.04Å; N69-E71 WeakPolarHBondContact OD1-CB 3.4Å; N69-E71 PolarHBondContact OD1-N 3.47Å; E71-T75 WeakPolarHBondContact O-CB 3.46Å; E71-T75 PolarHBondContact O-N 2.94Å; E71-T75 PolarHBondContact O-OG1 3.16Å
72	L	90.2	Very high	90.4	Very high	3 Å²	3	60.2 Å²	60.2	2%	0.016	30%	0.303	C	S	.	.	H	α-helix	trans	-64.2	-45.4	175.9	-176.2	64.4	0	0	0	110.8	C23 L26 F27 L65 N69 Q70 T74 T75 I76	C23-L72 HydrophobicContact CB-CD1 4.37Å; C23-L72 WeakPolarHBondContact SG-CD1 3.42Å; L26-L72 HydrophobicContact CB-CD1 4.08Å; L26-L72 HydrophobicContact CB-CD2 4.23Å; F27-L72 HydrophobicContact CB-CD2 4.33Å; F27-L72 HydrophobicContact CD2-CD2 4.31Å; L65-L72 HydrophobicContact CD2-CB 4.24Å; L65-L72 HydrophobicContact CD2-CD2 4.2Å; L65-L72 HydrophobicContact CD2-CG 4.05Å; L65-L72 HydrophobicContact CG-CD2 4.37Å; N69-L72 HydrophobicContact CB-CB 3.98Å; N69-L72 PolarHBondContact O-N 3.14Å; N69-L72 PolarHBondContact OD1-N 3.4Å; N69-L72 VanDerWaalsContact OD1-N 3.09Å; Q70-L72 VanDerWaalsContact C-N 3.34Å; L72-T74 PolarHBondContact O-N 2.89Å; L72-T75 PolarHBondContact O-N 2.98Å; L72-I76 HydrophobicContact CD1-CD1 4.04Å; L72-I76 HydrophobicContact CD1-CG1 4.37Å; L72-I76 HydrophobicContact CG-CD1 3.86Å; L72-I76 WeakPolarHBondContact O-CG1 3.38Å; L72-I76 PolarHBondContact O-N 2.88Å
73	A	90.6	Very high	90.4	Very high	4 Å²	4	60 Å²	60	3%	0.033	30%	0.302	C	S	.	.	H	α-helix	trans	-58	-47.2	178.1	0	0	0	0	0	112	F62 L65 E66 N69 Q70 T75 I76 Q77	F62-A73 HydrophobicContact CE2-CB 4.32Å; F62-A73 HydrophobicContact CZ-CB 4Å; L65-A73 HydrophobicContact CD2-CB 3.51Å; E66-A73 HydrophobicContact CB-CB 4.44Å; N69-A73 PolarHBondContact O-N 3.12Å; N69-A73 VanDerWaalsContact O-N 3.15Å; Q70-A73 PolarHBondContact O-N 3.01Å; A73-T75 PolarHBondContact O-N 3.34Å; A73-I76 PolarHBondContact O-N 2.76Å; A73-Q77 WeakPolarHBondContact O-CB 3.45Å; A73-Q77 PolarHBondContact O-N 2.69Å
74	T	91.8	Very high	90.5	Very high	61 Å²	61	58.5 Å²	58.5	37%	0.374	29%	0.29	S	S	.	.	H	α-helix	trans	-62.3	-43.9	178.6	-50.9	0	0	0	0	111.2	Q70 L72 I76 Q77 E78	Q70-T74 PolarHBondContact O-N 3.27Å; Q70-T74 PolarHBondContact O-OG1 3.14Å; L72-T74 PolarHBondContact O-N 2.89Å; T74-I76 PolarHBondContact O-N 2.85Å; T74-Q77 PolarHBondContact O-N 3.01Å; T74-E78 PolarHBondContact O-N 3.05Å
75	T	92.1	Very high	90.5	Very high	43 Å²	43	60 Å²	60	26%	0.264	30%	0.302	S	S	.	.	H	α-helix	trans	-62.6	-43	178.2	-53.9	0	0	0	0	111.7	L19 E71 L72 A73 Q77 E79	L19-T75 HydrophobicContact CD2-CG2 3.86Å; L19-T75 HydrophobicContact CG-CG2 4.5Å; E71-T75 WeakPolarHBondContact O-CB 3.46Å; E71-T75 PolarHBondContact O-N 2.94Å; E71-T75 PolarHBondContact O-OG1 3.16Å; L72-T75 PolarHBondContact O-N 2.98Å; A73-T75 PolarHBondContact O-N 3.34Å; T75-Q77 VanDerWaalsContact C-N 3.34Å; T75-E79 PolarHBondContact O-N 3.1Å
76	I	91.7	Very high	90.6	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-67.2	-36.8	177.5	-69.6	173.8	0	0	0	110.8	F27 L65 L72 A73 T74 Y80 V83 L87 I111	F27-I76 HydrophobicContact CD2-CD1 4.17Å; L65-I76 HydrophobicContact CD1-CD1 3.69Å; L65-I76 HydrophobicContact CD2-CD1 4.27Å; L72-I76 HydrophobicContact CD1-CD1 4.04Å; L72-I76 HydrophobicContact CD1-CG1 4.37Å; L72-I76 HydrophobicContact CG-CD1 3.86Å; L72-I76 WeakPolarHBondContact O-CG1 3.38Å; L72-I76 PolarHBondContact O-N 2.88Å; A73-I76 PolarHBondContact O-N 2.76Å; T74-I76 PolarHBondContact O-N 2.85Å; I76-Y80 HydrophobicContact CG2-CD2 3.97Å; I76-Y80 HydrophobicContact CG2-CE2 4.49Å; I76-Y80 WeakPolarHBondContact O-CA 3.35Å; I76-Y80 WeakPolarHBondContact O-CB 3.48Å; I76-Y80 PolarHBondContact O-N 3.06Å; I76-V83 HydrophobicContact CG1-CG2 4.39Å; I76-L87 HydrophobicContact CD1-CD1 4.35Å; I76-L87 HydrophobicContact CD1-CD2 4.2Å; I76-L87 HydrophobicContact CG1-CD1 4.42Å; I76-L87 HydrophobicContact CG2-CD1 4.45Å; I76-I111 HydrophobicContact CG2-CD1 3.82Å
77	Q	91.6	Very high	90.7	Very high	69 Å²	69	57.6 Å²	57.6	32%	0.322	29%	0.29	S	S	.	.	H	α-helix	trans	-70.3	-42.7	-179.6	-171.2	175.5	3	0	0	112.4	F62 A73 T74 T75 T130 L131	F62-Q77 HydrophobicContact CZ-CB 4.42Å; A73-Q77 WeakPolarHBondContact O-CB 3.45Å; A73-Q77 PolarHBondContact O-N 2.69Å; T74-Q77 PolarHBondContact O-N 3.01Å; T75-Q77 VanDerWaalsContact C-N 3.34Å; Q77-T130 CarbonylContact O-C 3.59Å; Q77-T130 VanDerWaalsContact O-CA 3.3Å; Q77-T130 WeakPolarHBondContact O-CA 3.5Å; Q77-T130 WeakPolarHBondContact O-CB 3.48Å; Q77-L131 PolarHBondContact O-N 3.39Å
78	E	90.9	Very high	90.9	Very high	131 Å²	131	54.9 Å²	54.9	61%	0.612	26%	0.26	S	S	*	.	H	α-helix	trans	-79.8	-46.4	-178	-67.5	-174.9	168.5	0	0	113	T74	T74-E78 PolarHBondContact O-N 3.05Å
79	E	90.7	Very high	90.9	Very high	71 Å²	71	56.6 Å²	56.6	33%	0.332	26%	0.264	S	S	.	.	S	Bend	trans	-110.4	33.4	-174	-62.9	-161.9	171.7	0	0	113.4	T75 Y81 R82 V83	T75-E79 PolarHBondContact O-N 3.1Å; E79-Y81 VanDerWaalsContact C-N 3.35Å; E79-Y81 PolarHBondContact O-N 2.88Å; E79-R82 HydrophobicContact CB-CB 4.49Å; E79-R82 PolarHBondContact O-N 3.3Å; E79-R82 IonicContact OE1-NH1 2.93Å; E79-R82 VanDerWaalsContact OE2-CD 3.3Å; E79-R82 WeakPolarHBondContact OE2-CD 3.33Å; E79-R82 IonicContact OE2-CZ 2.92Å; E79-R82 IonicContact OE2-NE 3.27Å; E79-R82 IonicContact OE2-NH1 3.33Å; E79-R82 PolarHBondContact OE2-NH1 2.92Å; E79-V83 WeakPolarHBondContact O-CG2 3.4Å; E79-V83 PolarHBondContact O-N 2.9Å; E79-V83 VanDerWaalsContact O-N 3.15Å
80	Y	92.3	Very high	90.8	Very high	6 Å²	6	55 Å²	55	2%	0.024	26%	0.255	C	S	.	.	H	α-helix	trans	-48.4	-51	-174.5	-174.8	-111.5	0	0	0	113.5	I76 R82 V83 Y84 L87 I111 G129 L131 T244 C299	I76-Y80 HydrophobicContact CG2-CD2 3.97Å; I76-Y80 HydrophobicContact CG2-CE2 4.49Å; I76-Y80 WeakPolarHBondContact O-CA 3.35Å; I76-Y80 WeakPolarHBondContact O-CB 3.48Å; I76-Y80 PolarHBondContact O-N 3.06Å; Y80-R82 VanDerWaalsContact C-N 3.25Å; Y80-R82 PolarHBondContact O-N 3.44Å; Y80-V83 PolarHBondContact O-N 3.39Å; Y80-Y84 HydrophobicContact CE1-CD2 4.01Å; Y80-Y84 HydrophobicContact CE1-CG 4.45Å; Y80-Y84 AromaticContact CE2-CD2 3.95Å; Y80-Y84 HydrophobicContact CE2-CD2 3.95Å; Y80-Y84 AromaticContact CZ-CD2 3.45Å; Y80-Y84 VanDerWaalsContact CZ-CD2 3.45Å; Y80-Y84 AromaticContact CZ-CE2 3.97Å; Y80-Y84 VanDerWaalsContact O-CB 3.23Å; Y80-Y84 WeakPolarHBondContact O-CB 3.41Å; Y80-Y84 PolarHBondContact O-N 3.43Å; Y80-Y84 WeakPolarHBondContact OH-CD2 3.36Å; Y80-Y84 WeakPolarHBondContact OH-CE2 3.29Å; Y80-L87 HydrophobicContact CE2-CD1 4.46Å; Y80-I111 HydrophobicContact CD2-CD1 4.2Å; Y80-I111 HydrophobicContact CE2-CD1 3.54Å; Y80-G129 WeakPolarHBondContact CB-O 3.23Å; Y80-G129 PolarHBondContact N-O 3.41Å; Y80-L131 HydrophobicContact CD1-CD1 4.03Å; Y80-L131 HydrophobicContact CD2-CB 4.35Å; Y80-L131 HydrophobicContact CD2-CD1 3.93Å; Y80-L131 HydrophobicContact CD2-CD2 4.47Å; Y80-L131 HydrophobicContact CD2-CG 4.49Å; Y80-L131 HydrophobicContact CE1-CD1 3.98Å; Y80-L131 HydrophobicContact CE2-CD1 3.92Å; Y80-L131 HydrophobicContact CG-CB 4.16Å; Y80-L131 HydrophobicContact CG-CD1 3.98Å; Y80-T244 HydrophobicContact CD1-CG2 3.92Å; Y80-T244 HydrophobicContact CE1-CG2 4.18Å; Y80-C299 PolarHBondContact OH-SG 3.15Å; Y80-C299 VanDerWaalsContact OH-SG 3.41Å
81	Y	90.9	Very high	90.8	Very high	109 Å²	109	48.7 Å²	48.7	43%	0.427	23%	0.226	S	C	.	.	H	α-helix	trans	-61.8	-32.6	-175.5	-173.5	-100	0	0	0	113.2	E79 G129 T244 I246	E79-Y81 VanDerWaalsContact C-N 3.35Å; E79-Y81 PolarHBondContact O-N 2.88Å; Y81-G129 PolarHBondContact N-O 3.13Å; Y81-T244 HydrophobicContact CD2-CG2 4.39Å; Y81-I246 HydrophobicContact CD2-CG2 4.21Å; Y81-I246 HydrophobicContact CE2-CG2 4.19Å
82	R	90.9	Very high	90.6	Very high	107 Å²	107	45.3 Å²	45.3	40%	0.404	21%	0.208	S	C	.	.	H	α-helix	trans	-76.8	-42.9	179.5	-177.6	-174.4	173.8	-173.4	0.4	111.6	D17 E79 Y80	D17-R82 IonicContact OD1-CZ 3.99Å; D17-R82 IonicContact OD1-NE 3.6Å; D17-R82 IonicContact OD1-NH2 3.49Å; D17-R82 PolarHBondContact OD1-NH2 3.35Å; D17-R82 IonicContact OD2-CZ 3.07Å; D17-R82 VanDerWaalsContact OD2-CZ 3.29Å; D17-R82 IonicContact OD2-NE 3.97Å; D17-R82 PolarHBondContact OD2-NE 3.15Å; D17-R82 IonicContact OD2-NH2 2.75Å; D17-R82 PolarHBondContact OD2-NH2 2.99Å; E79-R82 HydrophobicContact CB-CB 4.49Å; E79-R82 PolarHBondContact O-N 3.3Å; E79-R82 IonicContact OE1-NH1 2.93Å; E79-R82 VanDerWaalsContact OE2-CD 3.3Å; E79-R82 WeakPolarHBondContact OE2-CD 3.33Å; E79-R82 IonicContact OE2-CZ 2.92Å; E79-R82 IonicContact OE2-NE 3.27Å; E79-R82 IonicContact OE2-NH1 3.33Å; E79-R82 PolarHBondContact OE2-NH1 2.92Å; Y80-R82 VanDerWaalsContact C-N 3.25Å; Y80-R82 PolarHBondContact O-N 3.44Å
83	V	91.9	Very high	90.5	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-82.9	-21.2	-176.6	-58.1	0	0	0	0	113.2	L19 C23 I76 E79 Y80 F86 L87	L19-V83 HydrophobicContact CD2-CG1 4.06Å; C23-V83 HydrophobicContact CB-CG1 4.48Å; I76-V83 HydrophobicContact CG1-CG2 4.39Å; E79-V83 WeakPolarHBondContact O-CG2 3.4Å; E79-V83 PolarHBondContact O-N 2.9Å; E79-V83 VanDerWaalsContact O-N 3.15Å; Y80-V83 PolarHBondContact O-N 3.39Å; V83-F86 WeakPolarHBondContact O-CA 3.38Å; V83-F86 WeakPolarHBondContact O-CB 3.5Å; V83-F86 PolarHBondContact O-N 3.36Å; V83-L87 HydrophobicContact CG2-CD1 4.23Å; V83-L87 PolarHBondContact O-N 2.83Å
84	Y	91.4	Very high	90.3	Very high	57 Å²	57	47.6 Å²	47.6	22%	0.224	22%	0.219	C	C	.	.	H	α-helix	trans	-51	-47.5	-175.4	179.9	-104.5	0	0	0	115.1	Y80 F86 L87 C88	Y80-Y84 HydrophobicContact CE1-CD2 4.01Å; Y80-Y84 HydrophobicContact CE1-CG 4.45Å; Y80-Y84 AromaticContact CE2-CD2 3.95Å; Y80-Y84 HydrophobicContact CE2-CD2 3.95Å; Y80-Y84 AromaticContact CZ-CD2 3.45Å; Y80-Y84 VanDerWaalsContact CZ-CD2 3.45Å; Y80-Y84 AromaticContact CZ-CE2 3.97Å; Y80-Y84 VanDerWaalsContact O-CB 3.23Å; Y80-Y84 WeakPolarHBondContact O-CB 3.41Å; Y80-Y84 PolarHBondContact O-N 3.43Å; Y80-Y84 WeakPolarHBondContact OH-CD2 3.36Å; Y80-Y84 WeakPolarHBondContact OH-CE2 3.29Å; Y84-F86 PolarHBondContact O-N 3.4Å; Y84-F86 VanDerWaalsContact O-N 3.16Å; Y84-L87 WeakPolarHBondContact O-CB 3.42Å; Y84-L87 PolarHBondContact O-N 3.49Å; Y84-L87 VanDerWaalsContact O-N 3.14Å; Y84-C88 PolarHBondContact O-N 3.39Å; Y84-C88 VanDerWaalsContact O-N 3.1Å
85	P	89.3	Confident	90	Very high	63 Å²	63	44.9 Å²	44.9	41%	0.409	20%	0.203	S	C	.	.	H	α-helix	trans	-61.8	-26.3	177.5	-22.3	34.5	0	0	0	113.7	R89	P85-R89 WeakPolarHBondContact O-CG 3.45Å; P85-R89 PolarHBondContact O-N 2.98Å
86	F	90.8	Very high	89.6	Confident	34 Å²	34	48.4 Å²	48.4	15%	0.149	21%	0.211	C	C	.	.	H	α-helix	trans	-81	-35.2	177.5	-63	-94.4	0	0	0	111.5	D17 A20 Q24 V83 Y84 R89 A90	D17-F86 HydrophobicContact CB-CZ 4.44Å; A20-F86 HydrophobicContact CB-CD1 4.06Å; A20-F86 HydrophobicContact CB-CD2 3.53Å; A20-F86 HydrophobicContact CB-CE1 4.01Å; A20-F86 HydrophobicContact CB-CE2 3.47Å; A20-F86 VanDerWaalsContact CB-CE2 3.47Å; A20-F86 HydrophobicContact CB-CG 3.82Å; A20-F86 HydrophobicContact CB-CZ 3.71Å; Q24-F86 HydrophobicContact CB-CB 4.28Å; V83-F86 WeakPolarHBondContact O-CA 3.38Å; V83-F86 WeakPolarHBondContact O-CB 3.5Å; V83-F86 PolarHBondContact O-N 3.36Å; Y84-F86 PolarHBondContact O-N 3.4Å; Y84-F86 VanDerWaalsContact O-N 3.16Å; F86-R89 WeakPolarHBondContact O-CB 3.31Å; F86-R89 PolarHBondContact O-N 2.94Å; F86-R89 VanDerWaalsContact O-N 3.14Å; F86-A90 PolarHBondContact O-N 3.31Å
87	L	91.3	Very high	89.2	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-59.9	-45.3	170.7	-59.6	179.7	0	0	0	111.1	F27 I76 Y80 V83 Y84 R89 A90 V91 V109	F27-L87 HydrophobicContact CB-CD2 3.92Å; F27-L87 HydrophobicContact CD1-CD2 3.88Å; F27-L87 HydrophobicContact CD2-CD2 3.89Å; F27-L87 HydrophobicContact CE1-CD2 4.33Å; F27-L87 HydrophobicContact CE2-CD2 4.35Å; F27-L87 HydrophobicContact CG-CD2 3.61Å; I76-L87 HydrophobicContact CD1-CD1 4.35Å; I76-L87 HydrophobicContact CD1-CD2 4.2Å; I76-L87 HydrophobicContact CG1-CD1 4.42Å; I76-L87 HydrophobicContact CG2-CD1 4.45Å; Y80-L87 HydrophobicContact CE2-CD1 4.46Å; V83-L87 HydrophobicContact CG2-CD1 4.23Å; V83-L87 PolarHBondContact O-N 2.83Å; Y84-L87 WeakPolarHBondContact O-CB 3.42Å; Y84-L87 PolarHBondContact O-N 3.49Å; Y84-L87 VanDerWaalsContact O-N 3.14Å; L87-R89 VanDerWaalsContact C-N 3.25Å; L87-R89 PolarHBondContact O-N 3.29Å; L87-A90 WeakPolarHBondContact O-CB 3.43Å; L87-A90 PolarHBondContact O-N 3.31Å; L87-A90 VanDerWaalsContact O-N 3.1Å; L87-V91 PolarHBondContact O-N 3.11Å; L87-V109 HydrophobicContact CB-CG2 4.13Å
88	C	89.7	Confident	88.6	Confident	12 Å²	12	54 Å²	54	8%	0.081	24%	0.241	C	C	.	.	H	α-helix	trans	-60.5	-34	174.6	-64.2	0	0	0	0	112.9	Y84 R92 F107	Y84-C88 PolarHBondContact O-N 3.39Å; Y84-C88 VanDerWaalsContact O-N 3.1Å; C88-R92 PolarHBondContact O-N 2.94Å; C88-F107 WeakPolarHBondContact CB-O 3.29Å
89	R	88.6	Confident	87.7	Confident	114 Å²	114	48.8 Å²	48.8	43%	0.43	22%	0.222	S	C	.	.	H	α-helix	trans	-71.3	-37.9	174.4	-71.5	173.1	-171	173.6	2.9	112.1	P85 F86 L87 R92 N93	P85-R89 WeakPolarHBondContact O-CG 3.45Å; P85-R89 PolarHBondContact O-N 2.98Å; F86-R89 WeakPolarHBondContact O-CB 3.31Å; F86-R89 PolarHBondContact O-N 2.94Å; F86-R89 VanDerWaalsContact O-N 3.14Å; L87-R89 VanDerWaalsContact C-N 3.25Å; L87-R89 PolarHBondContact O-N 3.29Å; R89-R92 WeakPolarHBondContact O-CB 3.32Å; R89-R92 PolarHBondContact O-N 3.27Å; R89-N93 PolarHBondContact O-N 3.34Å
90	A	89.8	Confident	87	Confident	0 Å²	0	53 Å²	53	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-60.3	-47.3	174.1	0	0	0	0	0	110.9	Q24 F27 Q28 F86 L87 R92 N93 F94	Q24-A90 HydrophobicContact CG-CB 3.9Å; F27-A90 HydrophobicContact CD1-CB 3.8Å; Q28-A90 HydrophobicContact CB-CB 4.39Å; F86-A90 PolarHBondContact O-N 3.31Å; L87-A90 WeakPolarHBondContact O-CB 3.43Å; L87-A90 PolarHBondContact O-N 3.31Å; L87-A90 VanDerWaalsContact O-N 3.1Å; A90-R92 VanDerWaalsContact C-N 3.31Å; A90-R92 PolarHBondContact O-N 3.37Å; A90-N93 WeakPolarHBondContact O-CB 3.25Å; A90-N93 PolarHBondContact O-N 3.4Å; A90-N93 VanDerWaalsContact O-N 3.12Å; A90-F94 WeakPolarHBondContact O-CB 3.43Å; A90-F94 PolarHBondContact O-N 2.79Å
91	V	88.7	Confident	86.2	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.006	25%	0.249	C	C	.	.	H	α-helix	trans	-61.7	-38.8	175.4	174.9	0	0	0	0	112	F27 L31 L58 L87 N93 F94 A95 F107 V109	F27-V91 HydrophobicContact CE1-CG2 3.98Å; L31-V91 HydrophobicContact CD1-CG2 3.99Å; L58-V91 HydrophobicContact CB-CG1 4.13Å; L58-V91 HydrophobicContact CD2-CG1 4.07Å; L58-V91 HydrophobicContact CD2-CG2 3.94Å; L87-V91 PolarHBondContact O-N 3.11Å; V91-N93 VanDerWaalsContact C-N 3.32Å; V91-N93 PolarHBondContact O-N 2.97Å; V91-F94 PolarHBondContact O-N 2.89Å; V91-A95 VanDerWaalsContact O-CB 3.32Å; V91-A95 WeakPolarHBondContact O-CB 3.3Å; V91-A95 PolarHBondContact O-N 3.43Å; V91-F107 HydrophobicContact CB-CB 4.5Å; V91-F107 HydrophobicContact CG1-CB 3.91Å; V91-F107 HydrophobicContact CG1-CG 4.38Å; V91-V109 HydrophobicContact CB-CG2 4.34Å; V91-V109 HydrophobicContact CG2-CG2 3.48Å; V91-V109 VanDerWaalsContact CG2-CG2 3.48Å
92	R	87.6	Confident	85.4	Confident	66 Å²	66	52 Å²	52	25%	0.249	25%	0.254	C	S	.	.	H	α-helix	trans	-61.3	-39.9	174.6	-173.2	-170.5	-63.4	147.7	-0.3	112.6	C88 R89 A90 R96 F107	C88-R92 PolarHBondContact O-N 2.94Å; R89-R92 WeakPolarHBondContact O-CB 3.32Å; R89-R92 PolarHBondContact O-N 3.27Å; A90-R92 VanDerWaalsContact C-N 3.31Å; A90-R92 PolarHBondContact O-N 3.37Å; R92-R96 VanDerWaalsContact O-CG 3.31Å; R92-R96 WeakPolarHBondContact O-CG 3.32Å; R92-R96 PolarHBondContact O-N 3.1Å; R92-F107 HydrophobicContact CB-CD2 3.91Å; R92-F107 HydrophobicContact CG-CD2 4.01Å; R92-F107 HydrophobicContact CG-CE2 4.31Å
93	N	88.1	Confident	84.5	Confident	54 Å²	54	53.5 Å²	53.5	29%	0.289	27%	0.269	S	S	.	.	H	α-helix	trans	-66.9	-49.4	176.1	-68.8	-9.5	0	0	0	110.1	R89 A90 V91 A95 R96 D97	R89-N93 PolarHBondContact O-N 3.34Å; A90-N93 WeakPolarHBondContact O-CB 3.25Å; A90-N93 PolarHBondContact O-N 3.4Å; A90-N93 VanDerWaalsContact O-N 3.12Å; V91-N93 VanDerWaalsContact C-N 3.32Å; V91-N93 PolarHBondContact O-N 2.97Å; N93-A95 VanDerWaalsContact C-N 3.33Å; N93-A95 PolarHBondContact O-N 3.43Å; N93-R96 WeakPolarHBondContact O-CA 3.42Å; N93-R96 WeakPolarHBondContact O-CB 3.33Å; N93-R96 PolarHBondContact O-N 2.99Å; N93-D97 PolarHBondContact O-N 3.41Å; N93-D97 VanDerWaalsContact O-N 3.09Å
94	F	87.1	Confident	83.6	Confident	1 Å²	1	60.6 Å²	60.6	0%	0.004	31%	0.307	C	S	.	.	H	α-helix	trans	-55.5	-44.7	178.2	-177.5	-113.2	0	0	0	113	L31 E32 V44 A47 A90 V91 R96 D97 H98	L31-F94 HydrophobicContact CB-CD1 4.2Å; L31-F94 HydrophobicContact CB-CD2 3.9Å; L31-F94 HydrophobicContact CB-CE1 4.17Å; L31-F94 HydrophobicContact CB-CE2 3.89Å; L31-F94 HydrophobicContact CB-CG 4.06Å; L31-F94 HydrophobicContact CB-CZ 4.03Å; L31-F94 HydrophobicContact CD1-CB 4.17Å; L31-F94 HydrophobicContact CD1-CD1 4.12Å; L31-F94 HydrophobicContact CD1-CG 4.1Å; L31-F94 WeakPolarHBondContact O-CE2 3.14Å; L31-F94 WeakPolarHBondContact O-CZ 3.46Å; E32-F94 HydrophobicContact CB-CE2 4.46Å; E32-F94 HydrophobicContact CG-CD2 3.7Å; E32-F94 HydrophobicContact CG-CE2 3.66Å; V44-F94 HydrophobicContact CG2-CZ 4.08Å; A47-F94 HydrophobicContact CB-CD1 3.93Å; A47-F94 HydrophobicContact CB-CE1 3.51Å; A47-F94 HydrophobicContact CB-CZ 4.47Å; A90-F94 WeakPolarHBondContact O-CB 3.43Å; A90-F94 PolarHBondContact O-N 2.79Å; V91-F94 PolarHBondContact O-N 2.89Å; F94-R96 VanDerWaalsContact C-N 3.3Å; F94-R96 PolarHBondContact O-N 3.48Å; F94-D97 PolarHBondContact O-N 3.12Å; F94-H98 AromaticContact CD2-CE1 3.74Å; F94-H98 AromaticContact CD2-ND1 3.93Å; F94-H98 AromaticContact CE2-CE1 3.31Å; F94-H98 WeakPolarHBondContact CE2-CE1 3.47Å; F94-H98 AromaticContact CE2-ND1 3.8Å; F94-H98 AromaticContact CZ-CE1 3.86Å; F94-H98 PolarHBondContact O-N 2.91Å; F94-H98 PolarHBondContact O-ND1 2.9Å
95	A	84.9	Confident	83.1	Confident	3 Å²	3	59.4 Å²	59.4	3%	0.025	30%	0.303	C	S	.	.	H	α-helix	trans	-67.8	-27.3	177.3	0	0	0	0	0	113.3	V91 N93 G99 V101 F107	V91-A95 VanDerWaalsContact O-CB 3.32Å; V91-A95 WeakPolarHBondContact O-CB 3.3Å; V91-A95 PolarHBondContact O-N 3.43Å; N93-A95 VanDerWaalsContact C-N 3.33Å; N93-A95 PolarHBondContact O-N 3.43Å; A95-G99 PolarHBondContact O-N 3.5Å; A95-G99 VanDerWaalsContact O-N 3.16Å; A95-V101 HydrophobicContact CB-CG2 4.21Å; A95-F107 HydrophobicContact CB-CD2 4.48Å; A95-F107 HydrophobicContact CB-CE2 3.85Å; A95-F107 HydrophobicContact CB-CZ 3.85Å
96	R	83.9	Confident	82.7	Confident	118 Å²	118	58.5 Å²	58.5	45%	0.445	29%	0.294	S	S	.	.	H	α-helix	trans	-74.5	-33.2	174.5	-80.2	174.1	158.8	-163.5	-1.1	112.6	R92 N93 F94 H98 G99	R92-R96 VanDerWaalsContact O-CG 3.31Å; R92-R96 WeakPolarHBondContact O-CG 3.32Å; R92-R96 PolarHBondContact O-N 3.1Å; N93-R96 WeakPolarHBondContact O-CA 3.42Å; N93-R96 WeakPolarHBondContact O-CB 3.33Å; N93-R96 PolarHBondContact O-N 2.99Å; F94-R96 VanDerWaalsContact C-N 3.3Å; F94-R96 PolarHBondContact O-N 3.48Å; R96-H98 VanDerWaalsContact C-N 3.29Å; R96-G99 VanDerWaalsContact O-O 3.1Å
97	D	83.7	Confident	82.5	Confident	108 Å²	108	57 Å²	57	58%	0.578	29%	0.287	S	S	*	.	H	α-helix	trans	-71.2	-29.8	-179.4	-63.1	-29.6	0	0	0	111.1	N93 F94	N93-D97 PolarHBondContact O-N 3.41Å; N93-D97 VanDerWaalsContact O-N 3.09Å; F94-D97 PolarHBondContact O-N 3.12Å
98	H	78.8	Confident	82.5	Confident	78 Å²	78	58.5 Å²	58.5	36%	0.361	29%	0.293	S	S	.	.	H	α-helix	trans	-98.3	-10.4	-179.7	-63.9	79.5	0	0	0	114.5	F94 R96	F94-H98 AromaticContact CD2-CE1 3.74Å; F94-H98 AromaticContact CD2-ND1 3.93Å; F94-H98 AromaticContact CE2-CE1 3.31Å; F94-H98 WeakPolarHBondContact CE2-CE1 3.47Å; F94-H98 AromaticContact CE2-ND1 3.8Å; F94-H98 AromaticContact CZ-CE1 3.86Å; F94-H98 PolarHBondContact O-N 2.91Å; F94-H98 PolarHBondContact O-ND1 2.9Å; R96-H98 VanDerWaalsContact C-N 3.29Å
99	G	72.2	Confident	82.5	Confident	21 Å²	21	58 Å²	58	22%	0.216	29%	0.29	C	S	.	.	S	Bend	trans	-165.2	162.7	-176.5	0	0	0	0	0	115.9	A95 R96 V101	A95-G99 PolarHBondContact O-N 3.5Å; A95-G99 VanDerWaalsContact O-N 3.16Å; R96-G99 VanDerWaalsContact O-O 3.1Å; G99-V101 PolarHBondContact O-N 3.29Å; G99-V101 VanDerWaalsContact O-N 3.12Å
100	N	75.5	Confident	82.7	Confident	160 Å²	160	52.8 Å²	52.8	86%	0.856	27%	0.27	S	S	*	.			trans	-86.3	81.1	177.8	-167.9	15.9	0	0	0	111.2
101	V	75.4	Confident	82.7	Confident	12 Å²	12	53 Å²	53	7%	0.073	27%	0.272	C	S	.	.			trans	-82.4	136.5	179	-176.2	0	0	0	0	110.9	A95 G99 L103 K105 F107	A95-V101 HydrophobicContact CB-CG2 4.21Å; G99-V101 PolarHBondContact O-N 3.29Å; G99-V101 VanDerWaalsContact O-N 3.12Å; V101-L103 PolarHBondContact O-N 3.14Å; V101-K105 HydrophobicContact CG1-CB 3.99Å; V101-K105 HydrophobicContact CG1-CD 4.07Å; V101-K105 HydrophobicContact CG1-CG 4.49Å; V101-F107 HydrophobicContact CB-CE2 4.47Å; V101-F107 HydrophobicContact CB-CZ 4.26Å; V101-F107 HydrophobicContact CG1-CE2 3.68Å; V101-F107 HydrophobicContact CG1-CZ 3.41Å; V101-F107 VanDerWaalsContact CG1-CZ 3.41Å; V101-F107 HydrophobicContact CG2-CE2 4.36Å; V101-F107 HydrophobicContact CG2-CZ 3.9Å
102	P	74.4	Confident	82.6	Confident	83 Å²	83	55.5 Å²	55.5	54%	0.539	28%	0.283	S	S	.	.			trans	-57.7	134.4	171.2	20.5	-29.9	0	0	0	112.1	N104 K105	P102-N104 PolarHBondContact O-N 3.39Å; P102-K105 HydrophobicContact CG-CB 4.11Å; P102-K105 PolarHBondContact O-N 3.17Å
103	L	71.1	Confident	82.4	Confident	137 Å²	137	56.3 Å²	56.3	72%	0.717	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-23.7	-173.8	-64.9	169.5	0	0	0	114.8	V101	V101-L103 PolarHBondContact O-N 3.14Å
104	N	73.8	Confident	82.3	Confident	149 Å²	149	54 Å²	54	80%	0.797	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-6.1	-175.7	-63.3	-16.8	0	0	0	113.6	P102	P102-N104 PolarHBondContact O-N 3.39Å
105	K	80.3	Confident	82.2	Confident	32 Å²	32	58 Å²	58	14%	0.139	31%	0.307	C	S	.	.			trans	-76.6	128.8	179.9	-170	175.3	-175.9	-174.8	0	110	L50 R52 R55 V101 P102 F107	L50-K105 PolarHBondContact O-NZ 2.69Å; R52-K105 PolarHBondContact O-NZ 3Å; R55-K105 WeakPolarHBondContact O-CE 3.27Å; R55-K105 PolarHBondContact O-NZ 2.97Å; V101-K105 HydrophobicContact CG1-CB 3.99Å; V101-K105 HydrophobicContact CG1-CD 4.07Å; V101-K105 HydrophobicContact CG1-CG 4.49Å; P102-K105 HydrophobicContact CG-CB 4.11Å; P102-K105 PolarHBondContact O-N 3.17Å; K105-F107 HydrophobicContact CD-CE1 4.05Å; K105-F107 HydrophobicContact CD-CZ 4.1Å; K105-F107 HydrophobicContact CG-CE1 4.39Å; K105-F107 HydrophobicContact CG-CZ 4.39Å
106	E	81.1	Confident	82.4	Confident	44 Å²	44	60.7 Å²	60.7	21%	0.206	32%	0.322	C	S	.	.			trans	-97.1	149.2	172.6	-62	-161.4	158	0	0	110.2	K196	E106-K196 HydrophobicContact CG-CD 4.47Å; E106-K196 WeakPolarHBondContact OE1-CD 3.5Å; E106-K196 WeakPolarHBondContact OE1-CE 3.4Å; E106-K196 IonicContact OE1-NZ 3.67Å; E106-K196 PolarHBondContact OE1-NZ 3.42Å
107	F	87.8	Confident	82.5	Confident	3 Å²	3	60 Å²	60	1%	0.013	32%	0.32	C	S	.	.			trans	-121.7	145.2	179.7	-64.4	-71	0	0	0	109.2	L50 N56 C88 V91 R92 A95 V101 K105	L50-F107 HydrophobicContact CB-CE1 4.13Å; L50-F107 HydrophobicContact CD2-CD1 3.35Å; L50-F107 HydrophobicContact CD2-CE1 3.64Å; L50-F107 HydrophobicContact CD2-CG 4.42Å; N56-F107 CarbonylContact O-C 3.52Å; N56-F107 VanDerWaalsContact O-CA 3.3Å; N56-F107 WeakPolarHBondContact O-CA 3.35Å; C88-F107 WeakPolarHBondContact CB-O 3.29Å; V91-F107 HydrophobicContact CB-CB 4.5Å; V91-F107 HydrophobicContact CG1-CB 3.91Å; V91-F107 HydrophobicContact CG1-CG 4.38Å; R92-F107 HydrophobicContact CB-CD2 3.91Å; R92-F107 HydrophobicContact CG-CD2 4.01Å; R92-F107 HydrophobicContact CG-CE2 4.31Å; A95-F107 HydrophobicContact CB-CD2 4.48Å; A95-F107 HydrophobicContact CB-CE2 3.85Å; A95-F107 HydrophobicContact CB-CZ 3.85Å; V101-F107 HydrophobicContact CB-CE2 4.47Å; V101-F107 HydrophobicContact CB-CZ 4.26Å; V101-F107 HydrophobicContact CG1-CE2 3.68Å; V101-F107 HydrophobicContact CG1-CZ 3.41Å; V101-F107 VanDerWaalsContact CG1-CZ 3.41Å; V101-F107 HydrophobicContact CG2-CE2 4.36Å; V101-F107 HydrophobicContact CG2-CZ 3.9Å; K105-F107 HydrophobicContact CD-CE1 4.05Å; K105-F107 HydrophobicContact CD-CZ 4.1Å; K105-F107 HydrophobicContact CG-CE1 4.39Å; K105-F107 HydrophobicContact CG-CZ 4.39Å
108	Y	90	Very high	82.8	Confident	33 Å²	33	56.7 Å²	56.7	13%	0.129	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	154.5	178.6	-61.7	-70.2	0	0	0	110.1	N56 T57 L58 I198 A227	N56-Y108 PolarHBondContact O-N 3.3Å; T57-Y108 WeakPolarHBondContact CA-O 3.37Å; L58-Y108 PolarHBondContact N-O 3.08Å; Y108-I198 WeakPolarHBondContact OH-CG2 3.34Å; Y108-A227 HydrophobicContact CD2-CB 3.52Å; Y108-A227 HydrophobicContact CE2-CB 3.61Å; Y108-A227 HydrophobicContact CG-CB 4.26Å
109	V	90.9	Very high	83.4	Confident	2 Å²	2	57.2 Å²	57.2	1%	0.012	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	125.9	175.5	-173.9	0	0	0	0	107.8	F27 V60 L87 V91 I111	F27-V109 HydrophobicContact CZ-CG1 4.16Å; V60-V109 HydrophobicContact CG2-CG1 4.14Å; L87-V109 HydrophobicContact CB-CG2 4.13Å; V91-V109 HydrophobicContact CB-CG2 4.34Å; V91-V109 HydrophobicContact CG2-CG2 3.48Å; V91-V109 VanDerWaalsContact CG2-CG2 3.48Å; V109-I111 HydrophobicContact CG1-CG1 4.39Å
110	A	91.1	Very high	84.2	Confident	3 Å²	3	56.8 Å²	56.8	3%	0.025	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	121.4	173.2	0	0	0	0	0	107.8	L58 L59 V60 N300	L58-A110 PolarHBondContact O-N 3.32Å; L59-A110 WeakPolarHBondContact CA-O 3.45Å; L59-A110 HydrophobicContact CD2-CB 3.67Å; V60-A110 PolarHBondContact N-O 3.1Å; A110-N300 HydrophobicContact CB-CB 4.16Å
111	I	90.5	Very high	84.9	Confident	5 Å²	5	52.6 Å²	52.6	3%	0.026	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	129.5	-179.2	-58.7	177.3	0	0	0	108.7	V60 F62 I76 Y80 V109 L114 L131 T242	V60-I111 CarbonylContact O-C 3.57Å; V60-I111 WeakPolarHBondContact O-CA 3.39Å; F62-I111 HydrophobicContact CB-CG2 3.83Å; F62-I111 HydrophobicContact CD2-CG2 4.04Å; F62-I111 HydrophobicContact CG-CG2 4.4Å; I76-I111 HydrophobicContact CG2-CD1 3.82Å; Y80-I111 HydrophobicContact CD2-CD1 4.2Å; Y80-I111 HydrophobicContact CE2-CD1 3.54Å; V109-I111 HydrophobicContact CG1-CG1 4.39Å; I111-L114 HydrophobicContact CG2-CD1 3.78Å; I111-L131 HydrophobicContact CB-CD2 4.3Å; I111-L131 HydrophobicContact CD1-CD1 4.41Å; I111-L131 HydrophobicContact CD1-CD2 3.58Å; I111-L131 HydrophobicContact CG2-CD2 4.03Å; I111-T242 WeakPolarHBondContact O-CG2 3.47Å
112	E	87	Confident	85.5	Confident	53 Å²	53	56.1 Å²	56.1	25%	0.248	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	169.1	178.4	-44.1	-147	120.5	0	0	111.3	L59 V60 F62 L114 N300	L59-E112 HydrophobicContact CB-CG 4.22Å; L59-E112 HydrophobicContact CD2-CG 4.32Å; V60-E112 PolarHBondContact O-N 3.21Å; F62-E112 VanDerWaalsContact CB-O 3.26Å; F62-E112 WeakPolarHBondContact CB-O 3.44Å; F62-E112 PolarHBondContact N-O 3.45Å; E112-L114 PolarHBondContact O-N 3.04Å; E112-N300 VanDerWaalsContact CG-ND2 3.3Å; E112-N300 WeakPolarHBondContact CG-ND2 3.27Å; E112-N300 PolarHBondContact OE1-ND2 3.07Å
113	D	83.5	Confident	86.1	Confident	83 Å²	83	53.3 Å²	53.3	44%	0.444	26%	0.263	S	S	.	.			trans	56.1	41.9	170.2	-53.5	-37.2	0	0	0	116.9	S61 L63 P115	S61-D113 PolarHBondContact OG-OD2 3.41Å; L63-D113 HydrophobicContact CD1-CB 4.12Å; L63-D113 HydrophobicContact CG-CB 4.18Å; D113-P115 WeakPolarHBondContact O-CD 3.31Å
114	L	86.4	Confident	86.9	Confident	7 Å²	7	49.4 Å²	49.4	4%	0.037	25%	0.247	C	C	.	.			trans	-66.2	129	167.9	-86	84.9	0	0	0	110.6	F62 I111 E112 L131 K133 T242	F62-L114 HydrophobicContact CB-CD1 4.36Å; F62-L114 HydrophobicContact CB-CG 4.47Å; F62-L114 HydrophobicContact CG-CG 4.31Å; I111-L114 HydrophobicContact CG2-CD1 3.78Å; E112-L114 PolarHBondContact O-N 3.04Å; L114-L131 HydrophobicContact CD1-CD2 3.99Å; L114-L131 HydrophobicContact CD1-CG 4.35Å; L114-L131 HydrophobicContact CD2-CD2 3.96Å; L114-L131 HydrophobicContact CD2-CG 3.84Å; L114-L131 HydrophobicContact CG-CD2 4.37Å; L114-K133 HydrophobicContact CB-CB 4Å; L114-K133 HydrophobicContact CB-CD 4.25Å; L114-T242 HydrophobicContact CD1-CG2 3.39Å
115	P	84.5	Confident	87.5	Confident	85 Å²	85	46.7 Å²	46.7	55%	0.552	24%	0.24	S	C	*	.	S	Bend	trans	-69.7	-35.6	-178.5	26.3	-33.7	0	0	0	112	D113 R117	D113-P115 WeakPolarHBondContact O-CD 3.31Å; P115-R117 PolarHBondContact O-N 2.98Å
116	T	88	Confident	87.9	Confident	58 Å²	58	53 Å²	53	36%	0.356	27%	0.272	S	S	.	.			trans	-91.2	108.2	-176.5	53.7	0	0	0	0	111.5
117	R	87.4	Confident	88.2	Confident	104 Å²	104	53.1 Å²	53.1	39%	0.392	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	132.2	170.5	179.5	173.3	164.6	-179.9	-6.9	110.6	P115 S135 E211 D240	P115-R117 PolarHBondContact O-N 2.98Å; R117-S135 PolarHBondContact NE-OG 2.64Å; R117-S135 PolarHBondContact NH2-OG 3.21Å; R117-E211 IonicContact CZ-OE1 3.29Å; R117-E211 IonicContact NE-OE1 2.95Å; R117-E211 IonicContact NH2-OE1 3.61Å; R117-E211 PolarHBondContact NH2-OE1 3.5Å; R117-D240 IonicContact NH1-OD1 2.77Å
118	H	89.8	Confident	88.5	Confident	38 Å²	38	56.3 Å²	56.3	18%	0.176	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	147.3	-179.3	-72.5	-64.9	0	0	0	112.9	E122 R127 V132 K133	H118-E122 IonicContact CG-OE2 3.81Å; H118-E122 IonicContact ND1-OE2 2.79Å; H118-E122 PolarHBondContact ND1-OE2 3.22Å; H118-R127 PolarHBondContact CD2-NH1 2.8Å; H118-R127 PolarHBondContact CE1-NH1 2.86Å; H118-R127 PolarHBondContact ND1-NH1 3.36Å; H118-R127 PolarHBondContact ND1-NH2 3.21Å; H118-R127 VanDerWaalsContact ND1-NH2 3.15Å; H118-R127 PolarHBondContact NE2-NH1 3.49Å; H118-V132 HydrophobicContact CB-CG1 3.83Å; H118-K133 PolarHBondContact N-O 3.5Å
119	K	90.2	Very high	88.4	Confident	89 Å²	89	55.4 Å²	55.4	39%	0.387	29%	0.288	S	S	.	.			trans	-82.6	153.5	176.2	-55.6	-176.2	179.4	179.3	0	110.8	R121 E122 E211	K119-R121 PolarHBondContact O-N 2.78Å; K119-R121 VanDerWaalsContact O-N 3.16Å; K119-E122 HydrophobicContact CB-CG 4.14Å; K119-E122 PolarHBondContact N-OE2 3.35Å; K119-E122 WeakPolarHBondContact O-CB 3.31Å; K119-E122 PolarHBondContact O-N 3.39Å; K119-E211 HydrophobicContact CD-CB 4.42Å; K119-E211 HydrophobicContact CD-CG 4.47Å
120	I	90.1	Very high	88.5	Confident	12 Å²	12	56.6 Å²	56.6	6%	0.062	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-57	-34.7	177.2	-57.8	179.8	0	0	0	111.3	E122 L123 I205 E207 L221	I120-E122 VanDerWaalsContact C-N 3.31Å; I120-E122 PolarHBondContact O-N 3.5Å; I120-L123 WeakPolarHBondContact O-CB 3.37Å; I120-L123 WeakPolarHBondContact O-CG 3.41Å; I120-L123 PolarHBondContact O-N 2.9Å; I120-I205 HydrophobicContact CD1-CD1 3.77Å; I120-I205 HydrophobicContact CD1-CG1 4.37Å; I120-I205 HydrophobicContact CG1-CD1 4.38Å; I120-E207 HydrophobicContact CD1-CB 4.12Å; I120-L221 HydrophobicContact CG2-CB 4.24Å
121	R	88.9	Confident	88.6	Confident	73 Å²	73	56.7 Å²	56.7	28%	0.275	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-71.1	-21.7	178.5	-68	-178.3	-172.5	-126.4	-8.3	114.5	K119 L123 E207 P213 S216 I217	K119-R121 PolarHBondContact O-N 2.78Å; K119-R121 VanDerWaalsContact O-N 3.16Å; R121-L123 PolarHBondContact O-N 3.45Å; R121-E207 VanDerWaalsContact CD-OE1 3.29Å; R121-E207 WeakPolarHBondContact CD-OE1 3.35Å; R121-E207 WeakPolarHBondContact CG-OE1 3.49Å; R121-E207 IonicContact CZ-OE2 3.53Å; R121-E207 IonicContact NE-OE1 3.98Å; R121-E207 PolarHBondContact NE-OE1 3.42Å; R121-E207 IonicContact NE-OE2 2.63Å; R121-E207 PolarHBondContact NE-OE2 2.95Å; R121-E207 IonicContact NH2-OE2 3.85Å; R121-E207 PolarHBondContact NH2-OE2 2.85Å; R121-P213 VanDerWaalsContact CZ-CG 3.46Å; R121-S216 PolarHBondContact NH1-OG 3.47Å; R121-I217 PolarHBondContact NH2-O 2.87Å; R121-I217 VanDerWaalsContact NH2-O 3.17Å
122	E	89.3	Confident	88.7	Confident	85 Å²	85	56.6 Å²	56.6	40%	0.397	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-83.9	-0.8	178.7	-63.1	169.9	-167.9	0	0	112.3	H118 K119 I120 S124 R127	H118-E122 IonicContact CG-OE2 3.81Å; H118-E122 IonicContact ND1-OE2 2.79Å; H118-E122 PolarHBondContact ND1-OE2 3.22Å; K119-E122 HydrophobicContact CB-CG 4.14Å; K119-E122 PolarHBondContact N-OE2 3.35Å; K119-E122 WeakPolarHBondContact O-CB 3.31Å; K119-E122 PolarHBondContact O-N 3.39Å; I120-E122 VanDerWaalsContact C-N 3.31Å; I120-E122 PolarHBondContact O-N 3.5Å; E122-S124 PolarHBondContact O-N 3.34Å; E122-S124 VanDerWaalsContact O-N 3.15Å; E122-R127 VanDerWaalsContact CB-NH2 3.32Å; E122-R127 PolarHBondContact O-NE 3.43Å; E122-R127 PolarHBondContact O-NH2 2.91Å; E122-R127 IonicContact OE2-NH2 2.78Å
123	L	87.1	Confident	89	Confident	24 Å²	24	55.9 Å²	55.9	13%	0.126	29%	0.291	C	S	.	.			trans	-77.7	99	175.6	-60.2	176.7	0	0	0	109.3	I120 R121 V132 I134 L221 L245	I120-L123 WeakPolarHBondContact O-CB 3.37Å; I120-L123 WeakPolarHBondContact O-CG 3.41Å; I120-L123 PolarHBondContact O-N 2.9Å; R121-L123 PolarHBondContact O-N 3.45Å; L123-V132 HydrophobicContact CD2-CG1 4.13Å; L123-I134 HydrophobicContact CD1-CG2 4.18Å; L123-I134 HydrophobicContact CD2-CG2 3.96Å; L123-I134 HydrophobicContact CG-CG2 4.47Å; L123-L221 HydrophobicContact CD1-CD2 3.55Å; L123-L245 HydrophobicContact CB-CD2 4.42Å
124	S	87.8	Confident	89.4	Confident	55 Å²	55	52 Å²	52	39%	0.385	27%	0.27	S	S	.	.			trans	-105.9	169.3	173.1	70	0	0	0	0	111.1	E122 M126 R127	E122-S124 PolarHBondContact O-N 3.34Å; E122-S124 VanDerWaalsContact O-N 3.15Å; S124-M126 PolarHBondContact O-N 3.44Å; S124-R127 PolarHBondContact O-N 3.21Å; S124-R127 VanDerWaalsContact O-N 3.13Å
125	S	86.5	Confident	89.6	Confident	93 Å²	93	51.6 Å²	51.6	65%	0.65	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-60.8	-22.3	175.7	51.9	0	0	0	0	113.7	R127 I128	S125-R127 PolarHBondContact O-N 3.05Å; S125-I128 VanDerWaalsContact O-CD1 3.27Å; S125-I128 WeakPolarHBondContact O-CD1 3.32Å; S125-I128 VanDerWaalsContact O-CG1 3.28Å; S125-I128 WeakPolarHBondContact O-CG1 3.39Å; S125-I128 PolarHBondContact O-N 3.36Å
126	M	88.1	Confident	89.8	Confident	165 Å²	165	47.6 Å²	47.6	81%	0.813	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-68.2	-16.7	177.8	-167.7	157.6	73.8	0	0	112.8	S124	S124-M126 PolarHBondContact O-N 3.44Å
127	R	88.2	Confident	89.9	Confident	45 Å²	45	47.5 Å²	47.5	17%	0.17	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-100.8	10.5	-177.5	-60.4	-139.7	-80.3	-169.5	-4.8	114.2	H118 E122 S124 S125 G129 T130	H118-R127 PolarHBondContact CD2-NH1 2.8Å; H118-R127 PolarHBondContact CE1-NH1 2.86Å; H118-R127 PolarHBondContact ND1-NH1 3.36Å; H118-R127 PolarHBondContact ND1-NH2 3.21Å; H118-R127 VanDerWaalsContact ND1-NH2 3.15Å; H118-R127 PolarHBondContact NE2-NH1 3.49Å; E122-R127 VanDerWaalsContact CB-NH2 3.32Å; E122-R127 PolarHBondContact O-NE 3.43Å; E122-R127 PolarHBondContact O-NH2 2.91Å; E122-R127 IonicContact OE2-NH2 2.78Å; S124-R127 PolarHBondContact O-N 3.21Å; S124-R127 VanDerWaalsContact O-N 3.13Å; S125-R127 PolarHBondContact O-N 3.05Å; R127-G129 PolarHBondContact O-N 3.08Å; R127-T130 PolarHBondContact O-N 3.46Å; R127-T130 PolarHBondContact O-OG1 3.3Å
128	I	92.4	Very high	90	Very high	71 Å²	71	42.6 Å²	42.6	36%	0.364	22%	0.219	S	C	.	.	B	Isolated β-bridge	trans	-65.6	130.7	174.1	-64	164.9	0	0	0	108.8	S125 T130 L245 V247 L294	S125-I128 VanDerWaalsContact O-CD1 3.27Å; S125-I128 WeakPolarHBondContact O-CD1 3.32Å; S125-I128 VanDerWaalsContact O-CG1 3.28Å; S125-I128 WeakPolarHBondContact O-CG1 3.39Å; S125-I128 PolarHBondContact O-N 3.36Å; I128-T130 VanDerWaalsContact C-N 3.26Å; I128-T130 PolarHBondContact O-N 2.98Å; I128-L245 WeakPolarHBondContact CA-O 3.3Å; I128-L245 HydrophobicContact CG1-CD2 4.1Å; I128-L245 HydrophobicContact CG1-CG 4.44Å; I128-V247 HydrophobicContact CD1-CG2 3.53Å; I128-V247 HydrophobicContact CG1-CG2 4.19Å; I128-V247 HydrophobicContact CG2-CG2 4.25Å; I128-L294 HydrophobicContact CD1-CD2 4.25Å; I128-L294 HydrophobicContact CG1-CD2 4.4Å
129	G	89.6	Confident	89.8	Confident	14 Å²	14	43.8 Å²	43.8	14%	0.144	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	82	-6.4	178.3	0	0	0	0	0	115.9	Y80 Y81 R127 T244 L245	Y80-G129 WeakPolarHBondContact CB-O 3.23Å; Y80-G129 PolarHBondContact N-O 3.41Å; Y81-G129 PolarHBondContact N-O 3.13Å; R127-G129 PolarHBondContact O-N 3.08Å; G129-T244 VanDerWaalsContact CA-OG1 3.26Å; G129-T244 WeakPolarHBondContact CA-OG1 3.22Å; G129-T244 PolarHBondContact N-OG1 2.86Å; G129-L245 PolarHBondContact N-O 2.88Å
130	T	92.3	Very high	89.6	Confident	27 Å²	27	45.2 Å²	45.2	17%	0.166	23%	0.232	C	C	.	.	S	Bend	trans	-87.5	154.3	175.2	65.5	0	0	0	0	111.6	Q77 R127 I128 V132 T244	Q77-T130 CarbonylContact O-C 3.59Å; Q77-T130 VanDerWaalsContact O-CA 3.3Å; Q77-T130 WeakPolarHBondContact O-CA 3.5Å; Q77-T130 WeakPolarHBondContact O-CB 3.48Å; R127-T130 PolarHBondContact O-N 3.46Å; R127-T130 PolarHBondContact O-OG1 3.3Å; I128-T130 VanDerWaalsContact C-N 3.26Å; I128-T130 PolarHBondContact O-N 2.98Å; T130-V132 WeakPolarHBondContact OG1-CG2 3.49Å; T130-T244 WeakPolarHBondContact O-CA 3.34Å; T130-T244 WeakPolarHBondContact O-CB 3.48Å; T130-T244 PolarHBondContact O-OG1 3.18Å
131	L	93	Very high	89.4	Confident	4 Å²	4	47 Å²	47	2%	0.021	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	121.3	173.5	-168.8	68.2	0	0	0	110.4	F62 Q77 Y80 I111 L114 T242 G243	F62-L131 HydrophobicContact CD2-CD2 4.38Å; F62-L131 HydrophobicContact CE2-CD2 4.45Å; Q77-L131 PolarHBondContact O-N 3.39Å; Y80-L131 HydrophobicContact CD1-CD1 4.03Å; Y80-L131 HydrophobicContact CD2-CB 4.35Å; Y80-L131 HydrophobicContact CD2-CD1 3.93Å; Y80-L131 HydrophobicContact CD2-CD2 4.47Å; Y80-L131 HydrophobicContact CD2-CG 4.49Å; Y80-L131 HydrophobicContact CE1-CD1 3.98Å; Y80-L131 HydrophobicContact CE2-CD1 3.92Å; Y80-L131 HydrophobicContact CG-CB 4.16Å; Y80-L131 HydrophobicContact CG-CD1 3.98Å; I111-L131 HydrophobicContact CB-CD2 4.3Å; I111-L131 HydrophobicContact CD1-CD1 4.41Å; I111-L131 HydrophobicContact CD1-CD2 3.58Å; I111-L131 HydrophobicContact CG2-CD2 4.03Å; L114-L131 HydrophobicContact CD1-CD2 3.99Å; L114-L131 HydrophobicContact CD1-CG 4.35Å; L114-L131 HydrophobicContact CD2-CD2 3.96Å; L114-L131 HydrophobicContact CD2-CG 3.84Å; L114-L131 HydrophobicContact CG-CD2 4.37Å; L131-T242 HydrophobicContact CD1-CG2 3.99Å; L131-T242 HydrophobicContact CG-CG2 4.42Å; L131-G243 WeakPolarHBondContact CA-O 3.21Å
132	V	93.1	Very high	89.4	Confident	3 Å²	3	45.5 Å²	45.5	2%	0.018	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	142.5	-175.6	-179.1	0	0	0	0	109.3	H118 L123 T130 I134 G243 F296	H118-V132 HydrophobicContact CB-CG1 3.83Å; L123-V132 HydrophobicContact CD2-CG1 4.13Å; T130-V132 WeakPolarHBondContact OG1-CG2 3.49Å; V132-I134 HydrophobicContact CG1-CG2 3.84Å; V132-G243 PolarHBondContact N-O 3.39Å; V132-G243 PolarHBondContact O-N 3.48Å; V132-G243 VanDerWaalsContact O-O 3.09Å; V132-F296 HydrophobicContact CB-CE2 4.43Å; V132-F296 WeakPolarHBondContact O-CZ 3.49Å
133	K	92.7	Very high	89.4	Confident	39 Å²	39	45.5 Å²	45.5	17%	0.17	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	122.5	168.6	-176.5	177.5	178.9	-177.1	0	109.7	L114 H118 D240 F241	L114-K133 HydrophobicContact CB-CB 4Å; L114-K133 HydrophobicContact CB-CD 4.25Å; H118-K133 PolarHBondContact N-O 3.5Å; K133-D240 VanDerWaalsContact CE-CB 3.48Å; K133-D240 WeakPolarHBondContact CE-OD2 3.35Å; K133-D240 IonicContact NZ-OD2 3.84Å; K133-D240 PolarHBondContact NZ-OD2 3.35Å; K133-F241 WeakPolarHBondContact CA-O 3.48Å
134	I	92.4	Very high	89.6	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	150.2	177.5	66.2	174.1	0	0	0	110.3	L123 V132 I205 L221 I223 D240 F241 F296	L123-I134 HydrophobicContact CD1-CG2 4.18Å; L123-I134 HydrophobicContact CD2-CG2 3.96Å; L123-I134 HydrophobicContact CG-CG2 4.47Å; V132-I134 HydrophobicContact CG1-CG2 3.84Å; I134-I205 HydrophobicContact CD1-CD1 4.02Å; I134-L221 HydrophobicContact CD1-CD2 3.84Å; I134-I223 HydrophobicContact CD1-CD1 3.99Å; I134-D240 CarbonylContact O-C 3.6Å; I134-D240 WeakPolarHBondContact O-CA 3.31Å; I134-F241 HydrophobicContact CG1-CB 3.88Å; I134-F241 PolarHBondContact N-O 2.65Å; I134-F241 PolarHBondContact O-N 3.25Å; I134-F296 HydrophobicContact CD1-CB 4.27Å; I134-F296 HydrophobicContact CD1-CD1 3.59Å; I134-F296 HydrophobicContact CD1-CD2 3.8Å; I134-F296 HydrophobicContact CD1-CE1 3.75Å; I134-F296 HydrophobicContact CD1-CE2 3.95Å; I134-F296 HydrophobicContact CD1-CG 3.61Å; I134-F296 HydrophobicContact CD1-CZ 3.91Å; I134-F296 HydrophobicContact CG1-CD1 4.2Å; I134-F296 HydrophobicContact CG1-CE1 3.83Å; I134-F296 HydrophobicContact CG1-CE2 4.22Å; I134-F296 HydrophobicContact CG1-CZ 3.83Å; I134-F296 HydrophobicContact CG2-CE2 4.09Å; I134-F296 HydrophobicContact CG2-CZ 4.3Å
135	S	90.3	Very high	89.7	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	142.7	176.2	54	0	0	0	0	110.8	R117 E211 D240	R117-S135 PolarHBondContact NE-OG 2.64Å; R117-S135 PolarHBondContact NH2-OG 3.21Å; S135-E211 PolarHBondContact OG-OE1 2.94Å; S135-D240 VanDerWaalsContact CB-OD1 3.25Å; S135-D240 WeakPolarHBondContact CB-OD1 3.47Å
136	G	89.7	Confident	89.9	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	162.1	175.5	0	0	0	0	0	112.3	Q206 C239	G136-Q206 CarbonylContact C-O 3.59Å; G136-Q206 WeakPolarHBondContact CA-O 3.36Å; G136-C239 PolarHBondContact N-O 3.07Å; G136-C239 VanDerWaalsContact N-O 3.11Å; G136-C239 PolarHBondContact O-N 3.49Å; G136-C239 VanDerWaalsContact O-N 3.15Å
137	Q	89.3	Confident	90	Very high	56 Å²	56	42.8 Å²	42.8	26%	0.262	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	132	168.1	-172.4	171.6	11.7	0	0	109.2	V139 I205 Q206 G236 D237	Q137-V139 PolarHBondContact O-N 3.19Å; Q137-I205 CarbonylContact O-C 3.57Å; Q137-I205 VanDerWaalsContact O-CA 3.28Å; Q137-I205 WeakPolarHBondContact O-CA 3.35Å; Q137-Q206 PolarHBondContact N-O 2.85Å; Q137-Q206 PolarHBondContact O-N 3.49Å; Q137-G236 PolarHBondContact NE2-O 2.72Å; Q137-G236 VanDerWaalsContact NE2-O 3.08Å; Q137-D237 CarbonylContact C-O 3.56Å; Q137-D237 WeakPolarHBondContact CA-O 3.46Å
138	V	90	Very high	90.1	Very high	2 Å²	2	42 Å²	42	1%	0.012	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	119.9	175.9	-178.4	0	0	0	0	108.7	T141 V203 I205 A233 Q234 G236 D237 F241	V138-T141 HydrophobicContact CG1-CG2 3.73Å; V138-V203 HydrophobicContact CG1-CG1 3.54Å; V138-V203 HydrophobicContact CG2-CG1 4.35Å; V138-I205 HydrophobicContact CG2-CG2 4.34Å; V138-A233 HydrophobicContact CG2-CB 4.09Å; V138-Q234 WeakPolarHBondContact CB-O 3.42Å; V138-Q234 WeakPolarHBondContact CG1-O 3.46Å; V138-G236 PolarHBondContact O-N 3.37Å; V138-D237 PolarHBondContact N-O 3.06Å; V138-F241 HydrophobicContact CG2-CZ 3.95Å
139	V	85.8	Confident	89.8	Confident	63 Å²	63	40.7 Å²	40.7	38%	0.382	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-44.9	179.1	-172.2	0	0	0	0	110.3	Q137 R204 Q206	Q137-V139 PolarHBondContact O-N 3.19Å; V139-R204 PolarHBondContact N-O 3.36Å; V139-Q206 HydrophobicContact CG2-CB 3.37Å; V139-Q206 HydrophobicContact CG2-CG 4.41Å
140	R	84.4	Confident	89.8	Confident	119 Å²	119	40.6 Å²	40.6	45%	0.449	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	140.3	-175.9	-69.2	-176.7	175.4	164.8	-3.5	110.8	R204 E443	R140-R204 HydrophobicContact CB-CB 4.45Å; R140-R204 PolarHBondContact N-O 3.33Å; R140-R204 PolarHBondContact O-N 2.91Å; R140-E443 IonicContact CZ-OE1 3.28Å; R140-E443 IonicContact NE-OE1 3.53Å; R140-E443 IonicContact NH2-OE1 2.88Å; R140-E443 PolarHBondContact NH2-OE1 3.41Å
141	T	87.7	Confident	89.6	Confident	50 Å²	50	39.3 Å²	39.3	31%	0.307	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	123.6	174.4	50.3	0	0	0	0	108.5	V138 V203 A233	V138-T141 HydrophobicContact CG1-CG2 3.73Å; T141-V203 HydrophobicContact CG2-CG1 4.17Å; T141-V203 HydrophobicContact CG2-CG2 4.23Å; T141-A233 WeakPolarHBondContact CG2-O 3.35Å
142	H	87.6	Confident	89.5	Confident	40 Å²	40	39.3 Å²	39.3	19%	0.185	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-80.3	158.1	172.2	-71	77.4	0	0	0	110.6	Q201 K202 E436	H142-Q201 VanDerWaalsContact O-CG 3.29Å; H142-Q201 WeakPolarHBondContact O-CG 3.37Å; H142-Q201 PolarHBondContact O-NE2 3.48Å; H142-K202 HydrophobicContact CB-CB 4.07Å; H142-K202 VanDerWaalsContact CB-O 3.26Å; H142-K202 WeakPolarHBondContact CB-O 3.44Å; H142-K202 PolarHBondContact N-O 3.08Å; H142-K202 PolarHBondContact ND1-O 3.22Å; H142-E436 IonicContact CD2-OE2 3.99Å; H142-E436 IonicContact CE1-OE2 2.91Å; H142-E436 IonicContact NE2-OE2 2.52Å; H142-E436 PolarHBondContact NE2-OE2 3Å
143	P	88.9	Confident	89.4	Confident	86 Å²	86	39.2 Å²	39.2	56%	0.558	21%	0.209	S	C	*	.	P	Polyproline II helix	trans	-62.2	156.8	173.7	26.3	-35.1	0	0	0	111.9
144	V	91.8	Very high	89.4	Confident	46 Å²	46	39.9 Å²	39.9	28%	0.279	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-73.6	132.5	177.7	-174.5	0	0	0	0	110.1	D199 V230 E231	V144-D199 HydrophobicContact CG1-CB 3.94Å; V144-V230 HydrophobicContact CB-CG1 4.14Å; V144-V230 HydrophobicContact CG1-CG1 3.76Å; V144-V230 HydrophobicContact CG2-CG1 3.28Å; V144-E231 HydrophobicContact CG2-CG 3.89Å
145	H	90.4	Very high	89.3	Confident	105 Å²	105	39.9 Å²	39.9	49%	0.486	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	142.9	175.7	-67.2	-56.9	0	0	0	110.6	E147 F200	H145-E147 PolarHBondContact O-N 3.33Å; H145-F200 PolarHBondContact N-O 3.31Å; H145-F200 WeakPolarHBondContact O-CA 2.95Å; H145-F200 WeakPolarHBondContact O-CB 3.2Å; H145-F200 PolarHBondContact O-N 2.9Å; H145-F200 VanDerWaalsContact O-O 3.1Å
146	P	91.1	Very high	89.2	Confident	93 Å²	93	45.1 Å²	45.1	60%	0.604	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-74.9	121.1	172.3	28.7	-32.4	0	0	0	110.8	F197 I198	P146-F197 HydrophobicContact CB-CB 4.44Å; P146-F197 HydrophobicContact CB-CD1 4.43Å; P146-I198 CarbonylContact C-O 3.47Å; P146-I198 WeakPolarHBondContact CA-O 3.03Å
147	E	89.7	Confident	89	Confident	35 Å²	35	49.4 Å²	49.4	16%	0.164	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	130.6	172.2	-179.7	179.7	-161.6	0	0	110.2	H145 V149 F197 I198 F200 R226	H145-E147 PolarHBondContact O-N 3.33Å; E147-V149 PolarHBondContact O-N 2.72Å; E147-F197 CarbonylContact O-C 3.5Å; E147-F197 VanDerWaalsContact O-CA 3.3Å; E147-F197 WeakPolarHBondContact O-CA 3.46Å; E147-I198 HydrophobicContact CB-CG1 3.97Å; E147-I198 PolarHBondContact N-O 3.07Å; E147-I198 PolarHBondContact O-N 3.31Å; E147-F200 HydrophobicContact CB-CB 3.64Å; E147-F200 HydrophobicContact CB-CG 4.28Å; E147-F200 WeakPolarHBondContact OE2-CD2 3.33Å; E147-R226 VanDerWaalsContact CD-NH2 3.32Å; E147-R226 IonicContact OE1-CZ 3.37Å; E147-R226 IonicContact OE1-NH2 3.84Å; E147-R226 PolarHBondContact OE1-NH2 3.5Å; E147-R226 IonicContact OE2-CZ 3.91Å; E147-R226 VanDerWaalsContact OE2-CZ 3.32Å; E147-R226 IonicContact OE2-NE 2.65Å; E147-R226 PolarHBondContact OE2-NE 3.37Å; E147-R226 IonicContact OE2-NH2 3.02Å; E147-R226 PolarHBondContact OE2-NH2 2.99Å
148	L	90.1	Very high	88.9	Confident	29 Å²	29	48.7 Å²	48.7	15%	0.152	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	109.6	173.3	177.5	68.7	0	0	0	109.6	Q167 Y171 L190 F197	L148-Q167 HydrophobicContact CD2-CG 3.84Å; L148-Q167 HydrophobicContact CG-CG 3.88Å; L148-Q167 VanDerWaalsContact O-CB 3.29Å; L148-Q167 WeakPolarHBondContact O-CB 3.47Å; L148-Y171 HydrophobicContact CD2-CD2 4.46Å; L148-L190 HydrophobicContact CD2-CD1 4.06Å; L148-L190 HydrophobicContact CD2-CD2 3.77Å; L148-F197 HydrophobicContact CB-CD1 4.12Å; L148-F197 HydrophobicContact CB-CE1 3.9Å; L148-F197 HydrophobicContact CD1-CD1 4.16Å; L148-F197 HydrophobicContact CD1-CE1 3.72Å; L148-F197 HydrophobicContact CD1-CZ 3.92Å; L148-F197 HydrophobicContact CG-CE1 4.37Å
149	V	87.1	Confident	88.8	Confident	44 Å²	44	55.8 Å²	55.8	27%	0.267	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	-45.4	178.3	175.3	0	0	0	0	111.7	E147 Q167 K196 I198	E147-V149 PolarHBondContact O-N 2.72Å; V149-Q167 PolarHBondContact O-N 2.75Å; V149-K196 PolarHBondContact N-O 2.94Å; V149-I198 HydrophobicContact CB-CG2 4.34Å; V149-I198 HydrophobicContact CG2-CB 4.09Å; V149-I198 HydrophobicContact CG2-CD1 3.51Å; V149-I198 HydrophobicContact CG2-CG1 3.56Å; V149-I198 HydrophobicContact CG2-CG2 3.42Å; V149-I198 VanDerWaalsContact CG2-CG2 3.42Å
150	S	87.9	Confident	88.9	Confident	11 Å²	11	54.1 Å²	54.1	8%	0.077	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	121.7	176	71.8	0	0	0	0	110.7	V165 K196	S150-V165 WeakPolarHBondContact CA-O 3.49Å; S150-K196 PolarHBondContact O-N 3.19Å; S150-K196 WeakPolarHBondContact OG-CB 3.45Å; S150-K196 VanDerWaalsContact OG-CD 3.27Å; S150-K196 WeakPolarHBondContact OG-CD 3.32Å; S150-K196 VanDerWaalsContact OG-CG 3.31Å; S150-K196 WeakPolarHBondContact OG-CG 3.38Å
151	G	89.8	Confident	89	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	136.1	178.2	0	0	0	0	0	111.8	V165	G151-V165 PolarHBondContact N-O 2.88Å; G151-V165 PolarHBondContact O-N 2.59Å
152	T	90.8	Very high	89	Confident	5 Å²	5	49.3 Å²	49.3	3%	0.031	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	117.4	163.5	-66.6	0	0	0	0	108.1	V161 I162 K163 D191 K194 S195	T152-V161 HydrophobicContact CG2-CG1 3.37Å; T152-I162 CarbonylContact C-O 3.52Å; T152-I162 WeakPolarHBondContact CA-O 3.35Å; T152-K163 HydrophobicContact CG2-CG 4.07Å; T152-D191 PolarHBondContact O-N 3Å; T152-K194 HydrophobicContact CG2-CB 4.03Å; T152-K194 PolarHBondContact OG1-O 3.39Å; T152-S195 PolarHBondContact N-OG 3.44Å
153	F	91.1	Very high	88.9	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	133.2	-176.3	-68.8	-90.3	0	0	0	111.4	I162 V165 Y171 P173 P174 F188 H189 L190	F153-I162 PolarHBondContact N-O 3.27Å; F153-I162 PolarHBondContact O-N 3.41Å; F153-V165 HydrophobicContact CD2-CB 3.85Å; F153-V165 HydrophobicContact CD2-CG1 4.35Å; F153-V165 HydrophobicContact CD2-CG2 3.78Å; F153-V165 HydrophobicContact CE2-CB 3.77Å; F153-V165 HydrophobicContact CE2-CG1 3.98Å; F153-V165 HydrophobicContact CE2-CG2 4.22Å; F153-Y171 HydrophobicContact CE1-CE2 4.12Å; F153-Y171 AromaticContact CE1-CZ 3.93Å; F153-Y171 WeakPolarHBondContact CE1-OH 3.32Å; F153-Y171 HydrophobicContact CZ-CE2 4.17Å; F153-P173 HydrophobicContact CE1-CB 4.21Å; F153-P174 HydrophobicContact CB-CG 3.95Å; F153-P174 HydrophobicContact CD2-CG 4.2Å; F153-P174 VanDerWaalsContact CG-CD 3.49Å; F153-P174 HydrophobicContact CG-CG 4Å; F153-F188 HydrophobicContact CB-CB 4.26Å; F153-F188 HydrophobicContact CD1-CB 3.96Å; F153-F188 HydrophobicContact CG-CB 4.47Å; F153-H189 CarbonylContact C-O 3.52Å; F153-H189 WeakPolarHBondContact CA-O 3.5Å; F153-L190 HydrophobicContact CD1-CB 4.34Å; F153-L190 HydrophobicContact CD1-CD1 4.22Å; F153-L190 HydrophobicContact CD2-CD1 4.45Å; F153-L190 HydrophobicContact CE1-CB 4.17Å; F153-L190 HydrophobicContact CE1-CD1 3.88Å; F153-L190 HydrophobicContact CE2-CD1 4.11Å; F153-L190 HydrophobicContact CZ-CD1 3.83Å
154	L	91.1	Very high	88.6	Confident	53 Å²	53	53 Å²	53	28%	0.277	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	124.5	169.6	-174.6	71.3	0	0	0	109.4	M156 Q159 V161 H189	L154-M156 PolarHBondContact O-N 3.14Å; L154-Q159 VanDerWaalsContact CD1-O 3.28Å; L154-Q159 WeakPolarHBondContact CD1-O 3.48Å; L154-V161 HydrophobicContact CD1-CG2 3.91Å; L154-H189 PolarHBondContact N-O 3.47Å; L154-H189 PolarHBondContact O-N 2.96Å
155	C	90	Very high	88.4	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	124.7	170.4	179.4	0	0	0	0	110	D157 C158 Q159 A160 N184 F188	C155-D157 VanDerWaalsContact C-N 3.33Å; C155-D157 PolarHBondContact O-N 3.38Å; C155-C158 PolarHBondContact SG-SG 3.42Å; C155-Q159 WeakPolarHBondContact O-CA 3.24Å; C155-Q159 PolarHBondContact O-N 3.01Å; C155-A160 PolarHBondContact N-O 3.18Å; C155-N184 PolarHBondContact SG-ND2 3.22Å; C155-F188 HydrophobicContact CB-CD1 4.21Å; C155-F188 HydrophobicContact CB-CE1 4.04Å
156	M	88.4	Confident	88.1	Confident	111 Å²	111	51 Å²	51	55%	0.547	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-29.3	-179.3	-63.2	-63.2	-101	0	0	113.2	L154 R187 H189	L154-M156 PolarHBondContact O-N 3.14Å; M156-R187 HydrophobicContact CB-CB 4.28Å; M156-R187 HydrophobicContact CG-CB 4.49Å; M156-R187 PolarHBondContact N-O 3.38Å; M156-H189 HydrophobicContact CE-CB 4.46Å; M156-H189 HydrophobicContact CG-CB 4.34Å; M156-H189 HydrophobicContact SD-CB 3.71Å
157	D	87.1	Confident	87.7	Confident	90 Å²	90	47.5 Å²	47.5	48%	0.481	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-37.2	-176.2	-60.7	-18.6	0	0	0	113.7	C155 N184	C155-D157 VanDerWaalsContact C-N 3.33Å; C155-D157 PolarHBondContact O-N 3.38Å; D157-N184 HydrophobicContact CB-CB 4.37Å; D157-N184 VanDerWaalsContact OD2-CB 3.27Å; D157-N184 WeakPolarHBondContact OD2-CB 3.42Å
158	C	86.5	Confident	87.2	Confident	40 Å²	40	52.5 Å²	52.5	27%	0.27	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.1	2.1	-177.3	69.5	0	0	0	0	114.7	C155 A160 C177 C182	C155-C158 PolarHBondContact SG-SG 3.42Å; C158-A160 PolarHBondContact O-N 3.48Å; C158-A160 VanDerWaalsContact SG-CB 3.5Å; C158-C177 PolarHBondContact SG-SG 2.66Å; C158-C182 HydrophobicContact CB-CB 3.94Å
159	Q	87	Confident	86.5	Confident	152 Å²	152	54 Å²	54	71%	0.71	29%	0.285	S	S	*	.			trans	55	14.8	-178.1	-59.7	-177.9	-12.8	0	0	114.9	L154 C155	L154-Q159 VanDerWaalsContact CD1-O 3.28Å; L154-Q159 WeakPolarHBondContact CD1-O 3.48Å; C155-Q159 WeakPolarHBondContact O-CA 3.24Å; C155-Q159 PolarHBondContact O-N 3.01Å
160	A	87.6	Confident	86.2	Confident	27 Å²	27	56.9 Å²	56.9	22%	0.223	29%	0.293	C	S	.	.			trans	-68.4	134.3	174.8	0	0	0	0	0	110.3	C155 C158	C155-A160 PolarHBondContact N-O 3.18Å; C158-A160 PolarHBondContact O-N 3.48Å; C158-A160 VanDerWaalsContact SG-CB 3.5Å
161	V	87.6	Confident	86	Confident	62 Å²	62	62.3 Å²	62.3	38%	0.376	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	116.7	176.5	-176.7	0	0	0	0	109.1	T152 L154 K163	T152-V161 HydrophobicContact CG2-CG1 3.37Å; L154-V161 HydrophobicContact CD1-CG2 3.91Å; V161-K163 HydrophobicContact CG1-CG 3.89Å
162	I	87.7	Confident	85.7	Confident	6 Å²	6	64.3 Å²	64.3	3%	0.031	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	102.2	174.5	-53.5	174.5	0	0	0	107	T152 F153 V165 P174 R178 F188	T152-I162 CarbonylContact C-O 3.52Å; T152-I162 WeakPolarHBondContact CA-O 3.35Å; F153-I162 PolarHBondContact N-O 3.27Å; F153-I162 PolarHBondContact O-N 3.41Å; I162-V165 HydrophobicContact CG2-CG2 3.68Å; I162-P174 HydrophobicContact CD1-CB 4.23Å; I162-P174 HydrophobicContact CD1-CG 3.95Å; I162-R178 HydrophobicContact CG1-CG 4.37Å; I162-R178 HydrophobicContact CG2-CG 4.46Å; I162-F188 HydrophobicContact CD1-CD1 4.18Å; I162-F188 HydrophobicContact CD1-CE1 3.69Å; I162-F188 HydrophobicContact CD1-CZ 4.49Å
163	K	85.8	Confident	85.4	Confident	113 Å²	113	66.7 Å²	66.7	49%	0.491	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	156.2	179.1	-59.5	-176	-179.1	-179.1	0	111.6	T152 V161 R178	T152-K163 HydrophobicContact CG2-CG 4.07Å; V161-K163 HydrophobicContact CG1-CG 3.89Å; K163-R178 PolarHBondContact O-NH2 3.36Å
164	D	82.6	Confident	85.1	Confident	90 Å²	90	67.5 Å²	67.5	48%	0.481	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	59.4	45.7	168.8	-54.6	-64.4	0	0	0	114.2	P166 K196	D164-P166 VanDerWaalsContact O-CD 3.26Å; D164-P166 WeakPolarHBondContact O-CD 3.22Å; D164-K196 IonicContact OD1-NZ 3.54Å; D164-K196 PolarHBondContact OD1-NZ 3.42Å
165	V	86.4	Confident	84.7	Confident	23 Å²	23	69.9 Å²	69.9	14%	0.139	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	108.4	170.7	-178.4	0	0	0	0	108.6	S150 G151 F153 I162 Q167 P174	S150-V165 WeakPolarHBondContact CA-O 3.49Å; G151-V165 PolarHBondContact N-O 2.88Å; G151-V165 PolarHBondContact O-N 2.59Å; F153-V165 HydrophobicContact CD2-CB 3.85Å; F153-V165 HydrophobicContact CD2-CG1 4.35Å; F153-V165 HydrophobicContact CD2-CG2 3.78Å; F153-V165 HydrophobicContact CE2-CB 3.77Å; F153-V165 HydrophobicContact CE2-CG1 3.98Å; F153-V165 HydrophobicContact CE2-CG2 4.22Å; I162-V165 HydrophobicContact CG2-CG2 3.68Å; V165-Q167 PolarHBondContact O-NE2 2.81Å; V165-P174 HydrophobicContact CG2-CB 4.44Å
166	P	84.9	Confident	84.5	Confident	87 Å²	87	75.7 Å²	75.7	57%	0.565	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.4	139.2	-177.8	29.1	-35	0	0	0	110.5	D164	D164-P166 VanDerWaalsContact O-CD 3.26Å; D164-P166 WeakPolarHBondContact O-CD 3.22Å
167	Q	83.5	Confident	84.2	Confident	20 Å²	20	70.8 Å²	70.8	9%	0.093	37%	0.371	C	S	.	.			trans	-106.1	122.1	175	-56.7	-58.6	-43.3	0	0	108.5	L148 V149 V165 K170 S172	L148-Q167 HydrophobicContact CD2-CG 3.84Å; L148-Q167 HydrophobicContact CG-CG 3.88Å; L148-Q167 VanDerWaalsContact O-CB 3.29Å; L148-Q167 WeakPolarHBondContact O-CB 3.47Å; V149-Q167 PolarHBondContact O-N 2.75Å; V165-Q167 PolarHBondContact O-NE2 2.81Å; Q167-K170 PolarHBondContact OE1-O 3.27Å; Q167-S172 PolarHBondContact NE2-O 3.14Å; Q167-S172 PolarHBondContact OE1-O 3.07Å; Q167-S172 PolarHBondContact OE1-OG 3.33Å
168	Q	79.1	Confident	84	Confident	140 Å²	140	74.9 Å²	74.9	65%	0.654	38%	0.38	S	S	*	.			trans	-113.5	93.9	179.6	-69.7	-177.2	-7.3	0	0	109.3	K170	Q168-K170 PolarHBondContact O-N 2.85Å
169	F	75.4	Confident	83.8	Confident	61 Å²	61	75.7 Å²	75.7	27%	0.268	38%	0.382	S	S	.	.	S	Bend	trans	54.7	2.3	176.6	-51.7	-65.7	0	0	0	116.5	I246	F169-I246 HydrophobicContact CE1-CD1 3.87Å; F169-I246 HydrophobicContact CE2-CD1 4.4Å; F169-I246 HydrophobicContact CZ-CD1 3.49Å; F169-I246 VanDerWaalsContact CZ-CD1 3.49Å
170	K	80.9	Confident	83.5	Confident	103 Å²	103	74.7 Å²	74.7	45%	0.448	39%	0.388	S	S	.	.	S	Bend	trans	-145.9	141.1	-179.2	176.5	179.6	175.3	-179.4	0	108.6	Q167 Q168 S172 V251	Q167-K170 PolarHBondContact OE1-O 3.27Å; Q168-K170 PolarHBondContact O-N 2.85Å; K170-S172 PolarHBondContact O-N 3.29Å; K170-S172 VanDerWaalsContact O-N 3.13Å; K170-V251 HydrophobicContact CB-CG1 4.41Å
171	Y	83.9	Confident	83.4	Confident	125 Å²	125	79.6 Å²	79.6	49%	0.49	42%	0.415	S	S	.	.			trans	-65.4	110.1	166.5	-176.9	-101.3	0	0	0	110.5	L148 F153 L190	L148-Y171 HydrophobicContact CD2-CD2 4.46Å; F153-Y171 HydrophobicContact CE1-CE2 4.12Å; F153-Y171 AromaticContact CE1-CZ 3.93Å; F153-Y171 WeakPolarHBondContact CE1-OH 3.32Å; F153-Y171 HydrophobicContact CZ-CE2 4.17Å; Y171-L190 HydrophobicContact CE2-CD2 4.35Å
172	S	82.6	Confident	83.1	Confident	43 Å²	43	77.6 Å²	77.6	30%	0.301	40%	0.404	S	S	.	.			trans	-121.5	102.2	-177.7	58	0	0	0	0	109.5	Q167 K170	Q167-S172 PolarHBondContact NE2-O 3.14Å; Q167-S172 PolarHBondContact OE1-O 3.07Å; Q167-S172 PolarHBondContact OE1-OG 3.33Å; K170-S172 PolarHBondContact O-N 3.29Å; K170-S172 VanDerWaalsContact O-N 3.13Å
173	P	84.1	Confident	82.9	Confident	54 Å²	54	83.8 Å²	83.8	35%	0.351	44%	0.437	S	S	.	.			trans	-69.5	152.7	168.9	29.8	-33.3	0	0	0	109.7	F153 F188	F153-P173 HydrophobicContact CE1-CB 4.21Å; P173-F188 HydrophobicContact CB-CB 4.44Å
174	P	84.9	Confident	82.7	Confident	17 Å²	17	78.7 Å²	78.7	11%	0.11	42%	0.415	C	S	.	.			trans	-60.2	141.6	174.1	25.2	-32.4	0	0	0	110.2	F153 I162 V165 F188	F153-P174 HydrophobicContact CB-CG 3.95Å; F153-P174 HydrophobicContact CD2-CG 4.2Å; F153-P174 VanDerWaalsContact CG-CD 3.49Å; F153-P174 HydrophobicContact CG-CG 4Å; I162-P174 HydrophobicContact CD1-CB 4.23Å; I162-P174 HydrophobicContact CD1-CG 3.95Å; V165-P174 HydrophobicContact CG2-CB 4.44Å; P174-F188 HydrophobicContact CG-CB 4.24Å; P174-F188 HydrophobicContact CG-CD1 3.76Å; P174-F188 HydrophobicContact CG-CD2 3.9Å; P174-F188 HydrophobicContact CG-CE1 4.04Å; P174-F188 HydrophobicContact CG-CE2 4.18Å; P174-F188 HydrophobicContact CG-CG 3.68Å; P174-F188 HydrophobicContact CG-CZ 4.24Å; P174-F188 WeakPolarHBondContact O-CD2 3.39Å; P174-F188 WeakPolarHBondContact O-CE2 3.27Å
175	T	82.7	Confident	82.6	Confident	104 Å²	104	83 Å²	83	64%	0.638	42%	0.424	S	S	*	.	S	Bend	trans	-87.4	-20.9	-177.6	50.9	0	0	0	0	113.3	R185	T175-R185 WeakPolarHBondContact O-CA 3.37Å
176	I	85.7	Confident	82.4	Confident	122 Å²	122	86.3 Å²	86.3	63%	0.626	45%	0.449	S	S	*	.	S	Bend	trans	-138.5	135.2	-176.5	-56.8	174.9	0	0	0	108.6
177	C	82.8	Confident	82.4	Confident	7 Å²	7	90 Å²	90	5%	0.047	45%	0.452	C	S	.	.			trans	-73.3	141.7	173.2	-170.4	0	0	0	0	111.2	C158 N179 C182 F188	C158-C177 PolarHBondContact SG-SG 2.66Å; C177-N179 PolarHBondContact O-N 2.83Å; C177-C182 HydrophobicContact CB-CB 3.97Å; C177-F188 HydrophobicContact CB-CE1 4.3Å; C177-F188 HydrophobicContact CB-CZ 4.28Å
178	R	82.1	Confident	82.7	Confident	176 Å²	176	89.9 Å²	89.9	66%	0.664	45%	0.451	S	S	*	.	S	Bend	trans	-65	-23.7	175.7	-72.1	-172	178.8	179.6	4.4	113.4	I162 K163 P180	I162-R178 HydrophobicContact CG1-CG 4.37Å; I162-R178 HydrophobicContact CG2-CG 4.46Å; K163-R178 PolarHBondContact O-NH2 3.36Å; R178-P180 WeakPolarHBondContact O-CD 3.47Å
179	N	83.3	Confident	83.2	Confident	58 Å²	58	88.4 Å²	88.4	31%	0.31	44%	0.444	S	S	.	.	S	Bend	trans	-78.2	117.4	178.3	-175	-8.4	0	0	0	109.5	C177 V181 C182	C177-N179 PolarHBondContact O-N 2.83Å; N179-V181 PolarHBondContact O-N 3.33Å; N179-V181 VanDerWaalsContact O-N 3.09Å; N179-V181 PolarHBondContact OD1-N 2.87Å; N179-V181 VanDerWaalsContact OD1-N 3.13Å; N179-C182 HydrophobicContact CB-CB 4.02Å; N179-C182 PolarHBondContact O-N 3.31Å
180	P	80.8	Confident	83.9	Confident	130 Å²	130	86.8 Å²	86.8	84%	0.844	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-18.4	-177.5	26.9	-35.9	0	0	0	113.5	R178	R178-P180 WeakPolarHBondContact O-CD 3.47Å
181	V	84.9	Confident	84.4	Confident	131 Å²	131	83.4 Å²	83.4	79%	0.794	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-16.4	177.5	-171.8	0	0	0	0	111.9	N179	N179-V181 PolarHBondContact O-N 3.33Å; N179-V181 VanDerWaalsContact O-N 3.09Å; N179-V181 PolarHBondContact OD1-N 2.87Å; N179-V181 VanDerWaalsContact OD1-N 3.13Å
182	C	80.9	Confident	84.6	Confident	20 Å²	20	81 Å²	81	14%	0.135	42%	0.423	C	S	.	.			trans	-97.7	115.6	-174.4	-172.7	0	0	0	0	111.4	C158 C177 N179 N184	C158-C182 HydrophobicContact CB-CB 3.94Å; C177-C182 HydrophobicContact CB-CB 3.97Å; N179-C182 HydrophobicContact CB-CB 4.02Å; N179-C182 PolarHBondContact O-N 3.31Å; C182-N184 VanDerWaalsContact C-N 3.26Å; C182-N184 PolarHBondContact O-N 2.67Å; C182-N184 VanDerWaalsContact SG-CB 3.53Å
183	N	83.5	Confident	84.8	Confident	135 Å²	135	87.5 Å²	87.5	72%	0.722	45%	0.448	S	S	*	.			trans	-89.8	20.4	177.9	-159.5	16.5	0	0	0	113.5
184	N	81.6	Confident	85	Confident	7 Å²	7	90.6 Å²	90.6	4%	0.037	46%	0.456	C	S	.	.			trans	-74.3	132.2	179.8	-172.2	6.9	0	0	0	111.2	C155 D157 C182 S186 R187	C155-N184 PolarHBondContact SG-ND2 3.22Å; D157-N184 HydrophobicContact CB-CB 4.37Å; D157-N184 VanDerWaalsContact OD2-CB 3.27Å; D157-N184 WeakPolarHBondContact OD2-CB 3.42Å; C182-N184 VanDerWaalsContact C-N 3.26Å; C182-N184 PolarHBondContact O-N 2.67Å; C182-N184 VanDerWaalsContact SG-CB 3.53Å; N184-S186 PolarHBondContact OD1-N 3.18Å; N184-R187 PolarHBondContact ND2-O 2.83Å; N184-R187 WeakPolarHBondContact OD1-CB 3.4Å; N184-R187 PolarHBondContact OD1-N 3.45Å
185	R	80.1	Confident	85.2	Confident	179 Å²	179	90.5 Å²	90.5	68%	0.675	46%	0.456	S	S	*	.	S	Bend	trans	-128.4	-2.4	-177.6	-60.8	-173.8	-178.6	-162.3	-3.4	114.8	T175	T175-R185 WeakPolarHBondContact O-CA 3.37Å
186	S	81.5	Confident	85.4	Confident	94 Å²	94	88.7 Å²	88.7	66%	0.657	44%	0.439	S	S	*	.	S	Bend	trans	-147	-25	-174.5	59.6	0	0	0	0	114.5	N184 F188	N184-S186 PolarHBondContact OD1-N 3.18Å; S186-F188 VanDerWaalsContact C-N 3.34Å; S186-F188 PolarHBondContact O-N 3.43Å; S186-F188 VanDerWaalsContact O-N 3.08Å
187	R	85.9	Confident	85.5	Confident	164 Å²	164	87.4 Å²	87.4	62%	0.619	43%	0.429	S	S	*	.			trans	-89.9	70	-175.1	-62.1	-179	174.7	-178.1	-2.3	111.2	M156 N184	M156-R187 HydrophobicContact CB-CB 4.28Å; M156-R187 HydrophobicContact CG-CB 4.49Å; M156-R187 PolarHBondContact N-O 3.38Å; N184-R187 PolarHBondContact ND2-O 2.83Å; N184-R187 WeakPolarHBondContact OD1-CB 3.4Å; N184-R187 PolarHBondContact OD1-N 3.45Å
188	F	89.2	Confident	85.9	Confident	18 Å²	18	87.8 Å²	87.8	8%	0.079	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	130	174.6	-62	-77.1	0	0	0	109.7	F153 C155 I162 P173 P174 C177 S186	F153-F188 HydrophobicContact CB-CB 4.26Å; F153-F188 HydrophobicContact CD1-CB 3.96Å; F153-F188 HydrophobicContact CG-CB 4.47Å; C155-F188 HydrophobicContact CB-CD1 4.21Å; C155-F188 HydrophobicContact CB-CE1 4.04Å; I162-F188 HydrophobicContact CD1-CD1 4.18Å; I162-F188 HydrophobicContact CD1-CE1 3.69Å; I162-F188 HydrophobicContact CD1-CZ 4.49Å; P173-F188 HydrophobicContact CB-CB 4.44Å; P174-F188 HydrophobicContact CG-CB 4.24Å; P174-F188 HydrophobicContact CG-CD1 3.76Å; P174-F188 HydrophobicContact CG-CD2 3.9Å; P174-F188 HydrophobicContact CG-CE1 4.04Å; P174-F188 HydrophobicContact CG-CE2 4.18Å; P174-F188 HydrophobicContact CG-CG 3.68Å; P174-F188 HydrophobicContact CG-CZ 4.24Å; P174-F188 WeakPolarHBondContact O-CD2 3.39Å; P174-F188 WeakPolarHBondContact O-CE2 3.27Å; C177-F188 HydrophobicContact CB-CE1 4.3Å; C177-F188 HydrophobicContact CB-CZ 4.28Å; S186-F188 VanDerWaalsContact C-N 3.34Å; S186-F188 PolarHBondContact O-N 3.43Å; S186-F188 VanDerWaalsContact O-N 3.08Å
189	H	89.7	Confident	86.3	Confident	108 Å²	108	83.5 Å²	83.5	50%	0.5	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	130.5	174.7	-175.9	67.7	0	0	0	109	F153 L154 M156 D191	F153-H189 CarbonylContact C-O 3.52Å; F153-H189 WeakPolarHBondContact CA-O 3.5Å; L154-H189 PolarHBondContact N-O 3.47Å; L154-H189 PolarHBondContact O-N 2.96Å; M156-H189 HydrophobicContact CE-CB 4.46Å; M156-H189 HydrophobicContact CG-CB 4.34Å; M156-H189 HydrophobicContact SD-CB 3.71Å; H189-D191 PolarHBondContact O-N 3.33Å
190	L	91.2	Very high	86.7	Confident	27 Å²	27	83 Å²	83	14%	0.141	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	122.9	176.4	-178.3	75.6	0	0	0	109.2	L148 F153 Y171 T192 S195	L148-L190 HydrophobicContact CD2-CD1 4.06Å; L148-L190 HydrophobicContact CD2-CD2 3.77Å; F153-L190 HydrophobicContact CD1-CB 4.34Å; F153-L190 HydrophobicContact CD1-CD1 4.22Å; F153-L190 HydrophobicContact CD2-CD1 4.45Å; F153-L190 HydrophobicContact CE1-CB 4.17Å; F153-L190 HydrophobicContact CE1-CD1 3.88Å; F153-L190 HydrophobicContact CE2-CD1 4.11Å; F153-L190 HydrophobicContact CZ-CD1 3.83Å; Y171-L190 HydrophobicContact CE2-CD2 4.35Å; L190-T192 HydrophobicContact CD2-CG2 4.39Å; L190-T192 PolarHBondContact O-N 3.21Å; L190-S195 WeakPolarHBondContact CD1-OG 3.46Å
191	D	90.3	Very high	87.2	Confident	32 Å²	32	77.2 Å²	77.2	17%	0.171	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	102.1	169.3	-175.9	-6.4	0	0	0	108.3	T152 H189 H193 K194 S195	T152-D191 PolarHBondContact O-N 3Å; H189-D191 PolarHBondContact O-N 3.33Å; D191-H193 VanDerWaalsContact C-N 3.31Å; D191-H193 PolarHBondContact O-N 3.39Å; D191-H193 PolarHBondContact OD1-N 3.01Å; D191-K194 PolarHBondContact O-N 3.41Å; D191-K194 WeakPolarHBondContact OD2-CD 3.47Å; D191-K194 WeakPolarHBondContact OD2-CG 3.48Å; D191-K194 IonicContact OD2-NZ 3.51Å; D191-K194 PolarHBondContact OD2-NZ 3.14Å; D191-S195 VanDerWaalsContact O-CB 3.31Å; D191-S195 WeakPolarHBondContact O-CB 3.3Å; D191-S195 PolarHBondContact O-N 3.4Å; D191-S195 VanDerWaalsContact O-N 3.16Å; D191-S195 PolarHBondContact O-OG 3.19Å
192	T	88.6	Confident	87.5	Confident	75 Å²	75	72.3 Å²	72.3	46%	0.46	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	-34.7	-178.4	51.4	0	0	0	0	112	L190 K194 S195 F197	L190-T192 HydrophobicContact CD2-CG2 4.39Å; L190-T192 PolarHBondContact O-N 3.21Å; T192-K194 VanDerWaalsContact C-N 3.32Å; T192-K194 PolarHBondContact O-N 2.95Å; T192-S195 PolarHBondContact O-N 3.06Å; T192-F197 WeakPolarHBondContact O-CE2 3.26Å
193	H	87.9	Confident	88.1	Confident	179 Å²	179	71.3 Å²	71.3	83%	0.829	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70	-28.3	-176.7	-64.7	-72.4	0	0	0	113.6	D191	D191-H193 VanDerWaalsContact C-N 3.31Å; D191-H193 PolarHBondContact O-N 3.39Å; D191-H193 PolarHBondContact OD1-N 3.01Å
194	K	87	Confident	88.5	Confident	120 Å²	120	68.4 Å²	68.4	52%	0.522	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	2	178	-58.8	-167.9	-165.6	96.1	0	113	T152 D191 T192	T152-K194 HydrophobicContact CG2-CB 4.03Å; T152-K194 PolarHBondContact OG1-O 3.39Å; D191-K194 PolarHBondContact O-N 3.41Å; D191-K194 WeakPolarHBondContact OD2-CD 3.47Å; D191-K194 WeakPolarHBondContact OD2-CG 3.48Å; D191-K194 IonicContact OD2-NZ 3.51Å; D191-K194 PolarHBondContact OD2-NZ 3.14Å; T192-K194 VanDerWaalsContact C-N 3.32Å; T192-K194 PolarHBondContact O-N 2.95Å
195	S	88.9	Confident	89	Confident	14 Å²	14	68 Å²	68	10%	0.098	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	155.9	175.9	-69.7	0	0	0	0	110.3	T152 L190 D191 T192	T152-S195 PolarHBondContact N-OG 3.44Å; L190-S195 WeakPolarHBondContact CD1-OG 3.46Å; D191-S195 VanDerWaalsContact O-CB 3.31Å; D191-S195 WeakPolarHBondContact O-CB 3.3Å; D191-S195 PolarHBondContact O-N 3.4Å; D191-S195 VanDerWaalsContact O-N 3.16Å; D191-S195 PolarHBondContact O-OG 3.19Å; T192-S195 PolarHBondContact O-N 3.06Å
196	K	87.2	Confident	89.6	Confident	66 Å²	66	62.6 Å²	62.6	29%	0.287	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	122.9	-179.9	-55.8	-173.7	-169.7	158.9	0	109.9	E106 V149 S150 D164	E106-K196 HydrophobicContact CG-CD 4.47Å; E106-K196 WeakPolarHBondContact OE1-CD 3.5Å; E106-K196 WeakPolarHBondContact OE1-CE 3.4Å; E106-K196 IonicContact OE1-NZ 3.67Å; E106-K196 PolarHBondContact OE1-NZ 3.42Å; V149-K196 PolarHBondContact N-O 2.94Å; S150-K196 PolarHBondContact O-N 3.19Å; S150-K196 WeakPolarHBondContact OG-CB 3.45Å; S150-K196 VanDerWaalsContact OG-CD 3.27Å; S150-K196 WeakPolarHBondContact OG-CD 3.32Å; S150-K196 VanDerWaalsContact OG-CG 3.31Å; S150-K196 WeakPolarHBondContact OG-CG 3.38Å; D164-K196 IonicContact OD1-NZ 3.54Å; D164-K196 PolarHBondContact OD1-NZ 3.42Å
197	F	89.1	Confident	90	Very high	96 Å²	96	58.4 Å²	58.4	42%	0.421	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	149.6	176.6	-62.8	-83.5	0	0	0	109.9	P146 E147 L148 T192	P146-F197 HydrophobicContact CB-CB 4.44Å; P146-F197 HydrophobicContact CB-CD1 4.43Å; E147-F197 CarbonylContact O-C 3.5Å; E147-F197 VanDerWaalsContact O-CA 3.3Å; E147-F197 WeakPolarHBondContact O-CA 3.46Å; L148-F197 HydrophobicContact CB-CD1 4.12Å; L148-F197 HydrophobicContact CB-CE1 3.9Å; L148-F197 HydrophobicContact CD1-CD1 4.16Å; L148-F197 HydrophobicContact CD1-CE1 3.72Å; L148-F197 HydrophobicContact CD1-CZ 3.92Å; L148-F197 HydrophobicContact CG-CE1 4.37Å; T192-F197 WeakPolarHBondContact O-CE2 3.26Å
198	I	89.4	Confident	89.9	Confident	14 Å²	14	51.1 Å²	51.1	7%	0.072	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	152.1	172.5	73.2	170.3	0	0	0	108.5	Y108 P146 E147 V149 R226	Y108-I198 WeakPolarHBondContact OH-CG2 3.34Å; P146-I198 CarbonylContact C-O 3.47Å; P146-I198 WeakPolarHBondContact CA-O 3.03Å; E147-I198 HydrophobicContact CB-CG1 3.97Å; E147-I198 PolarHBondContact N-O 3.07Å; E147-I198 PolarHBondContact O-N 3.31Å; V149-I198 HydrophobicContact CB-CG2 4.34Å; V149-I198 HydrophobicContact CG2-CB 4.09Å; V149-I198 HydrophobicContact CG2-CD1 3.51Å; V149-I198 HydrophobicContact CG2-CG1 3.56Å; V149-I198 HydrophobicContact CG2-CG2 3.42Å; V149-I198 VanDerWaalsContact CG2-CG2 3.42Å; I198-R226 HydrophobicContact CD1-CB 4.1Å; I198-R226 VanDerWaalsContact CD1-CD 3.46Å; I198-R226 HydrophobicContact CD1-CG 3.74Å
199	D	91.4	Very high	89.4	Confident	87 Å²	87	57.2 Å²	57.2	47%	0.465	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	132.8	170.8	-58.1	-46.7	0	0	0	109.6	V144 R226 A227 V230	V144-D199 HydrophobicContact CG1-CB 3.94Å; D199-R226 WeakPolarHBondContact O-CA 3.4Å; D199-A227 PolarHBondContact O-N 3.1Å; D199-V230 HydrophobicContact CB-CG2 4.16Å
200	F	91.4	Very high	88.9	Confident	47 Å²	47	56.7 Å²	56.7	21%	0.206	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	133.1	-179.9	164.9	-82.7	0	0	0	108.6	H145 E147 K202 I224	H145-F200 PolarHBondContact N-O 3.31Å; H145-F200 WeakPolarHBondContact O-CA 2.95Å; H145-F200 WeakPolarHBondContact O-CB 3.2Å; H145-F200 PolarHBondContact O-N 2.9Å; H145-F200 VanDerWaalsContact O-O 3.1Å; E147-F200 HydrophobicContact CB-CB 3.64Å; E147-F200 HydrophobicContact CB-CG 4.28Å; E147-F200 WeakPolarHBondContact OE2-CD2 3.33Å; F200-K202 HydrophobicContact CE1-CB 4.27Å; F200-K202 HydrophobicContact CZ-CB 4.41Å; F200-I224 HydrophobicContact CD2-CG2 3.58Å; F200-I224 HydrophobicContact CE2-CB 4.16Å; F200-I224 HydrophobicContact CE2-CD1 4.15Å; F200-I224 HydrophobicContact CE2-CG1 3.89Å; F200-I224 HydrophobicContact CE2-CG2 3.26Å; F200-I224 HydrophobicContact CZ-CG1 4.2Å; F200-I224 HydrophobicContact CZ-CG2 4.24Å
201	Q	92.1	Very high	88.3	Confident	8 Å²	8	56.9 Å²	56.9	4%	0.037	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	137	174.1	-170.2	-177	27	0	0	110.1	H142 V203 L225 V230	H142-Q201 VanDerWaalsContact O-CG 3.29Å; H142-Q201 WeakPolarHBondContact O-CG 3.37Å; H142-Q201 PolarHBondContact O-NE2 3.48Å; Q201-V203 HydrophobicContact CG-CG2 4.22Å; Q201-L225 HydrophobicContact CB-CB 4.35Å; Q201-L225 PolarHBondContact N-O 3.48Å; Q201-L225 PolarHBondContact O-N 3.27Å; Q201-V230 HydrophobicContact CB-CB 4.38Å; Q201-V230 HydrophobicContact CB-CG1 3.85Å; Q201-V230 HydrophobicContact CB-CG2 3.95Å
202	K	91.4	Very high	88.1	Confident	28 Å²	28	58 Å²	58	12%	0.122	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	130.5	173.5	-174	-173.6	176.9	-169.5	0	108.8	H142 F200 E222 E436	H142-K202 HydrophobicContact CB-CB 4.07Å; H142-K202 VanDerWaalsContact CB-O 3.26Å; H142-K202 WeakPolarHBondContact CB-O 3.44Å; H142-K202 PolarHBondContact N-O 3.08Å; H142-K202 PolarHBondContact ND1-O 3.22Å; F200-K202 HydrophobicContact CE1-CB 4.27Å; F200-K202 HydrophobicContact CZ-CB 4.41Å; K202-E222 WeakPolarHBondContact CE-OE1 3.44Å; K202-E222 WeakPolarHBondContact CE-OE2 3.2Å; K202-E222 VanDerWaalsContact NZ-CD 3.33Å; K202-E222 IonicContact NZ-OE1 2.76Å; K202-E222 PolarHBondContact NZ-OE1 3.44Å; K202-E222 IonicContact NZ-OE2 2.78Å; K202-E222 PolarHBondContact NZ-OE2 3.41Å; K202-E436 IonicContact NZ-OE1 3.8Å
203	V	92.3	Very high	88	Confident	0 Å²	0	57 Å²	57	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	136.9	178.5	-179.3	0	0	0	0	108.7	V138 T141 Q201 I205 I223 L225	V138-V203 HydrophobicContact CG1-CG1 3.54Å; V138-V203 HydrophobicContact CG2-CG1 4.35Å; T141-V203 HydrophobicContact CG2-CG1 4.17Å; T141-V203 HydrophobicContact CG2-CG2 4.23Å; Q201-V203 HydrophobicContact CG-CG2 4.22Å; V203-I205 HydrophobicContact CG1-CG2 4.33Å; V203-I223 PolarHBondContact N-O 2.86Å; V203-I223 PolarHBondContact O-N 3.4Å; V203-L225 HydrophobicContact CG2-CD1 3.67Å; V203-L225 HydrophobicContact CG2-CG 4.12Å
204	R	91.9	Very high	87.9	Confident	73 Å²	73	60.6 Å²	60.6	28%	0.275	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	120.3	174.7	-177.2	168.7	-72.8	-179.9	1	109.4	V139 R140 E222	V139-R204 PolarHBondContact N-O 3.36Å; R140-R204 HydrophobicContact CB-CB 4.45Å; R140-R204 PolarHBondContact N-O 3.33Å; R140-R204 PolarHBondContact O-N 2.91Å; R204-E222 IonicContact CZ-OE1 3.11Å; R204-E222 IonicContact NH2-OE1 3.04Å; R204-E222 PolarHBondContact NH2-OE1 2.94Å
205	I	93	Very high	87.9	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	159.5	176.1	67.2	154.2	0	0	0	111.4	I120 I134 Q137 V138 V203 S220 L221 I223 F241	I120-I205 HydrophobicContact CD1-CD1 3.77Å; I120-I205 HydrophobicContact CD1-CG1 4.37Å; I120-I205 HydrophobicContact CG1-CD1 4.38Å; I134-I205 HydrophobicContact CD1-CD1 4.02Å; Q137-I205 CarbonylContact O-C 3.57Å; Q137-I205 VanDerWaalsContact O-CA 3.28Å; Q137-I205 WeakPolarHBondContact O-CA 3.35Å; V138-I205 HydrophobicContact CG2-CG2 4.34Å; V203-I205 HydrophobicContact CG1-CG2 4.33Å; I205-S220 WeakPolarHBondContact O-CA 3.31Å; I205-S220 WeakPolarHBondContact O-CB 3.37Å; I205-L221 HydrophobicContact CG1-CB 4.12Å; I205-L221 PolarHBondContact N-O 2.89Å; I205-L221 PolarHBondContact O-N 2.98Å; I205-I223 HydrophobicContact CB-CD1 4.3Å; I205-I223 HydrophobicContact CD1-CD1 3.56Å; I205-I223 HydrophobicContact CD1-CG1 4.22Å; I205-I223 HydrophobicContact CG1-CD1 3.74Å; I205-I223 HydrophobicContact CG1-CG1 3.97Å; I205-I223 HydrophobicContact CG2-CD1 3.6Å; I205-I223 HydrophobicContact CG2-CG1 4.12Å; I205-F241 HydrophobicContact CG2-CD2 4.41Å; I205-F241 HydrophobicContact CG2-CE2 3.59Å; I205-F241 HydrophobicContact CG2-CZ 3.76Å
206	Q	91.7	Very high	87.9	Confident	65 Å²	65	61.2 Å²	61.2	30%	0.304	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	148.1	176.1	-175.1	173	35.7	0	0	110.9	G136 Q137 V139 T208 P218	G136-Q206 CarbonylContact C-O 3.59Å; G136-Q206 WeakPolarHBondContact CA-O 3.36Å; Q137-Q206 PolarHBondContact N-O 2.85Å; Q137-Q206 PolarHBondContact O-N 3.49Å; V139-Q206 HydrophobicContact CG2-CB 3.37Å; V139-Q206 HydrophobicContact CG2-CG 4.41Å; Q206-T208 PolarHBondContact O-N 2.78Å; Q206-P218 HydrophobicContact CG-CB 3.78Å; Q206-P218 HydrophobicContact CG-CG 4.4Å
207	E	90.5	Very high	88.1	Confident	6 Å²	6	65.1 Å²	65.1	3%	0.028	35%	0.349	C	S	.	.			trans	-55.3	132.7	175.5	-168.5	169.1	-152.6	0	0	111.2	I120 R121 E211 L212 R219	I120-E207 HydrophobicContact CD1-CB 4.12Å; R121-E207 VanDerWaalsContact CD-OE1 3.29Å; R121-E207 WeakPolarHBondContact CD-OE1 3.35Å; R121-E207 WeakPolarHBondContact CG-OE1 3.49Å; R121-E207 IonicContact CZ-OE2 3.53Å; R121-E207 IonicContact NE-OE1 3.98Å; R121-E207 PolarHBondContact NE-OE1 3.42Å; R121-E207 IonicContact NE-OE2 2.63Å; R121-E207 PolarHBondContact NE-OE2 2.95Å; R121-E207 IonicContact NH2-OE2 3.85Å; R121-E207 PolarHBondContact NH2-OE2 2.85Å; E207-E211 HydrophobicContact CG-CB 4.41Å; E207-L212 HydrophobicContact CB-CD2 4.14Å; E207-L212 HydrophobicContact CG-CD2 3.91Å; E207-L212 WeakPolarHBondContact OE2-CD2 3.42Å; E207-R219 PolarHBondContact N-O 3.41Å; E207-R219 VanDerWaalsContact N-O 3.14Å
208	T	83.9	Confident	88.1	Confident	11 Å²	11	62.5 Å²	62.5	7%	0.067	34%	0.342	C	S	.	.			trans	-69.8	144.3	-179	-52.5	0	0	0	0	111	Q206 A210 E211	Q206-T208 PolarHBondContact O-N 2.78Å; T208-A210 PolarHBondContact O-N 3.47Å; T208-A210 VanDerWaalsContact O-N 3.16Å; T208-E211 PolarHBondContact O-N 3.19Å
209	Q	78.2	Confident	88.2	Confident	145 Å²	145	68.9 Å²	68.9	68%	0.678	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-55.7	-35.7	-177	-66.9	-176.8	1.9	0	0	114.2	E211 L212	Q209-E211 PolarHBondContact O-N 3.39Å; Q209-L212 PolarHBondContact O-N 3.39Å
210	A	78.7	Confident	88.1	Confident	97 Å²	97	68.2 Å²	68.2	80%	0.802	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-64.6	-23.3	178.3	0	0	0	0	0	113.5	T208	T208-A210 PolarHBondContact O-N 3.47Å; T208-A210 VanDerWaalsContact O-N 3.16Å
211	E	79.6	Confident	88.1	Confident	31 Å²	31	67 Å²	67	15%	0.145	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-97.3	-6.1	-176.8	-64.6	177.9	-165.5	0	0	112.7	R117 K119 S135 E207 T208 Q209 P213	R117-E211 IonicContact CZ-OE1 3.29Å; R117-E211 IonicContact NE-OE1 2.95Å; R117-E211 IonicContact NH2-OE1 3.61Å; R117-E211 PolarHBondContact NH2-OE1 3.5Å; K119-E211 HydrophobicContact CD-CB 4.42Å; K119-E211 HydrophobicContact CD-CG 4.47Å; S135-E211 PolarHBondContact OG-OE1 2.94Å; E207-E211 HydrophobicContact CG-CB 4.41Å; T208-E211 PolarHBondContact O-N 3.19Å; Q209-E211 PolarHBondContact O-N 3.39Å; E211-P213 WeakPolarHBondContact O-CD 3.44Å
212	L	85.4	Confident	88.1	Confident	56 Å²	56	68 Å²	68	29%	0.293	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-70.8	123.8	-175.6	-70.1	173.8	0	0	0	112.1	E207 Q209 P218	E207-L212 HydrophobicContact CB-CD2 4.14Å; E207-L212 HydrophobicContact CG-CD2 3.91Å; E207-L212 WeakPolarHBondContact OE2-CD2 3.42Å; Q209-L212 PolarHBondContact O-N 3.39Å; L212-P218 HydrophobicContact CD1-CB 4.48Å; L212-P218 HydrophobicContact CD2-CB 3.78Å
213	P	86.2	Confident	88.2	Confident	55 Å²	55	66.7 Å²	66.7	36%	0.357	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-71.3	146.3	169.6	27.6	-29.5	0	0	0	110.5	R121 E211 G215 S216	R121-P213 VanDerWaalsContact CZ-CG 3.46Å; E211-P213 WeakPolarHBondContact O-CD 3.44Å; P213-G215 PolarHBondContact O-N 3.23Å; P213-S216 PolarHBondContact O-N 3.3Å
214	R	87.3	Confident	88.3	Confident	254 Å²	254	67 Å²	67	96%	0.958	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	127.5	-177.3	-62.7	-175.9	-178.9	-136.9	0.2	110.9
215	G	86.8	Confident	88.3	Confident	93 Å²	93	63.6 Å²	63.6	96%	0.959	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.6	9.7	174.6	0	0	0	0	0	116.3	P213	P213-G215 PolarHBondContact O-N 3.23Å
216	S	89.4	Confident	88.2	Confident	54 Å²	54	66.6 Å²	66.6	38%	0.378	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-102.4	146.3	175.3	-69.7	0	0	0	0	113	R121 P213	R121-S216 PolarHBondContact NH1-OG 3.47Å; P213-S216 PolarHBondContact O-N 3.3Å
217	I	89.6	Confident	87.9	Confident	147 Å²	147	63.9 Å²	63.9	75%	0.754	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-72.2	138.4	169.1	-57.9	172.3	0	0	0	108.8	R121 R219	R121-I217 PolarHBondContact NH2-O 2.87Å; R121-I217 VanDerWaalsContact NH2-O 3.17Å; I217-R219 PolarHBondContact O-N 3.5Å
218	P	90.1	Very high	87.7	Confident	42 Å²	42	66.2 Å²	66.2	27%	0.273	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-61.4	132	174.4	24.7	-35.8	0	0	0	111.5	Q206 L212	Q206-P218 HydrophobicContact CG-CB 3.78Å; Q206-P218 HydrophobicContact CG-CG 4.4Å; L212-P218 HydrophobicContact CD1-CB 4.48Å; L212-P218 HydrophobicContact CD2-CB 3.78Å
219	R	90.5	Very high	87.8	Confident	147 Å²	147	66.2 Å²	66.2	56%	0.555	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-82.4	148.7	173.7	-65.3	-174.1	-177.4	177.7	1	110.5	E207 I217	E207-R219 PolarHBondContact N-O 3.41Å; E207-R219 VanDerWaalsContact N-O 3.14Å; I217-R219 PolarHBondContact O-N 3.5Å
220	S	90.8	Very high	88.4	Confident	73 Å²	73	60.2 Å²	60.2	51%	0.51	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	149.6	171.9	57.2	0	0	0	0	110.9	I205	I205-S220 WeakPolarHBondContact O-CA 3.31Å; I205-S220 WeakPolarHBondContact O-CB 3.37Å
221	L	91.1	Very high	88.8	Confident	21 Å²	21	61.6 Å²	61.6	11%	0.11	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	145	178.4	-174.7	68.7	0	0	0	109.2	I120 L123 I134 I205 F296	I120-L221 HydrophobicContact CG2-CB 4.24Å; L123-L221 HydrophobicContact CD1-CD2 3.55Å; I134-L221 HydrophobicContact CD1-CD2 3.84Å; I205-L221 HydrophobicContact CG1-CB 4.12Å; I205-L221 PolarHBondContact N-O 2.89Å; I205-L221 PolarHBondContact O-N 2.98Å; L221-F296 HydrophobicContact CD2-CB 3.85Å; L221-F296 HydrophobicContact CD2-CG 4.49Å; L221-F296 HydrophobicContact CG-CB 4.41Å
222	E	92.1	Very high	89.1	Confident	30 Å²	30	63.3 Å²	63.3	14%	0.14	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	124.9	174.1	-58.7	-168.3	158.2	0	0	110.1	K202 R204 R293 F296	K202-E222 WeakPolarHBondContact CE-OE1 3.44Å; K202-E222 WeakPolarHBondContact CE-OE2 3.2Å; K202-E222 VanDerWaalsContact NZ-CD 3.33Å; K202-E222 IonicContact NZ-OE1 2.76Å; K202-E222 PolarHBondContact NZ-OE1 3.44Å; K202-E222 IonicContact NZ-OE2 2.78Å; K202-E222 PolarHBondContact NZ-OE2 3.41Å; R204-E222 IonicContact CZ-OE1 3.11Å; R204-E222 IonicContact NH2-OE1 3.04Å; R204-E222 PolarHBondContact NH2-OE1 2.94Å; E222-R293 IonicContact OE1-NH1 3.39Å; E222-R293 IonicContact OE2-CZ 3.53Å; E222-R293 IonicContact OE2-NH1 3.42Å; E222-R293 PolarHBondContact OE2-NH1 3.03Å; E222-R293 IonicContact OE2-NH2 2.77Å; E222-F296 PolarHBondContact O-N 3.44Å
223	I	93.7	Very high	89.1	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	138	175	-57.8	-166.9	0	0	0	108.9	I134 V203 I205 L225 F241 F296 A298	I134-I223 HydrophobicContact CD1-CD1 3.99Å; V203-I223 PolarHBondContact N-O 2.86Å; V203-I223 PolarHBondContact O-N 3.4Å; I205-I223 HydrophobicContact CB-CD1 4.3Å; I205-I223 HydrophobicContact CD1-CD1 3.56Å; I205-I223 HydrophobicContact CD1-CG1 4.22Å; I205-I223 HydrophobicContact CG1-CD1 3.74Å; I205-I223 HydrophobicContact CG1-CG1 3.97Å; I205-I223 HydrophobicContact CG2-CD1 3.6Å; I205-I223 HydrophobicContact CG2-CG1 4.12Å; I223-L225 HydrophobicContact CG2-CD2 3.7Å; I223-L225 HydrophobicContact CG2-CG 4.42Å; I223-F241 HydrophobicContact CD1-CB 3.91Å; I223-F241 HydrophobicContact CD1-CD1 3.59Å; I223-F241 HydrophobicContact CD1-CD2 3.42Å; I223-F241 VanDerWaalsContact CD1-CD2 3.42Å; I223-F241 HydrophobicContact CD1-CE1 3.93Å; I223-F241 HydrophobicContact CD1-CE2 3.77Å; I223-F241 HydrophobicContact CD1-CG 3.33Å; I223-F241 HydrophobicContact CD1-CZ 4.01Å; I223-F241 HydrophobicContact CG2-CD1 3.94Å; I223-F241 HydrophobicContact CG2-CE1 4.31Å; I223-F296 CarbonylContact C-O 3.58Å; I223-F296 VanDerWaalsContact CA-O 3.29Å; I223-F296 WeakPolarHBondContact CA-O 3.46Å; I223-F296 HydrophobicContact CD1-CD1 4.25Å; I223-F296 HydrophobicContact CG1-CB 4.22Å; I223-F296 HydrophobicContact CG1-CD1 4.3Å; I223-F296 HydrophobicContact CG2-CD1 4.29Å; I223-A298 HydrophobicContact CG2-CB 3.78Å
224	I	93.8	Very high	89.1	Confident	8 Å²	8	62.7 Å²	62.7	4%	0.041	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	121.8	171.9	-66.1	166	0	0	0	107.4	F200 R226 I246 A295 F296 L297 A298	F200-I224 HydrophobicContact CD2-CG2 3.58Å; F200-I224 HydrophobicContact CE2-CB 4.16Å; F200-I224 HydrophobicContact CE2-CD1 4.15Å; F200-I224 HydrophobicContact CE2-CG1 3.89Å; F200-I224 HydrophobicContact CE2-CG2 3.26Å; F200-I224 HydrophobicContact CZ-CG1 4.2Å; F200-I224 HydrophobicContact CZ-CG2 4.24Å; I224-R226 HydrophobicContact CG2-CG 4.26Å; I224-I246 HydrophobicContact CD1-CD1 4.29Å; I224-A295 HydrophobicContact CD1-CB 4.2Å; I224-F296 PolarHBondContact N-O 2.77Å; I224-L297 HydrophobicContact CB-CD1 3.99Å; I224-L297 HydrophobicContact CG2-CD1 3.66Å; I224-A298 PolarHBondContact O-N 2.9Å
225	L	92.8	Very high	88.8	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	142.5	171.5	-52.3	-177.5	0	0	0	108.9	Q201 V203 I223 V230 A233 F241 A298 V301	Q201-L225 HydrophobicContact CB-CB 4.35Å; Q201-L225 PolarHBondContact N-O 3.48Å; Q201-L225 PolarHBondContact O-N 3.27Å; V203-L225 HydrophobicContact CG2-CD1 3.67Å; V203-L225 HydrophobicContact CG2-CG 4.12Å; I223-L225 HydrophobicContact CG2-CD2 3.7Å; I223-L225 HydrophobicContact CG2-CG 4.42Å; L225-V230 HydrophobicContact CB-CG2 4.32Å; L225-A233 HydrophobicContact CD1-CB 4.12Å; L225-F241 HydrophobicContact CD2-CD1 4.17Å; L225-F241 HydrophobicContact CD2-CE1 4.22Å; L225-A298 HydrophobicContact CD2-CB 3.76Å; L225-V301 HydrophobicContact CD1-CG2 4.24Å; L225-V301 HydrophobicContact CD2-CG2 3.47Å; L225-V301 VanDerWaalsContact CD2-CG2 3.47Å; L225-V301 HydrophobicContact CG-CG2 4.49Å
226	R	89.8	Confident	88.4	Confident	64 Å²	64	49.7 Å²	49.7	24%	0.242	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	153.2	-179.3	-75.9	-176.5	168.3	163.6	-3.1	111.5	E147 I198 D199 I224 A229 L297	E147-R226 VanDerWaalsContact CD-NH2 3.32Å; E147-R226 IonicContact OE1-CZ 3.37Å; E147-R226 IonicContact OE1-NH2 3.84Å; E147-R226 PolarHBondContact OE1-NH2 3.5Å; E147-R226 IonicContact OE2-CZ 3.91Å; E147-R226 VanDerWaalsContact OE2-CZ 3.32Å; E147-R226 IonicContact OE2-NE 2.65Å; E147-R226 PolarHBondContact OE2-NE 3.37Å; E147-R226 IonicContact OE2-NH2 3.02Å; E147-R226 PolarHBondContact OE2-NH2 2.99Å; I198-R226 HydrophobicContact CD1-CB 4.1Å; I198-R226 VanDerWaalsContact CD1-CD 3.46Å; I198-R226 HydrophobicContact CD1-CG 3.74Å; D199-R226 WeakPolarHBondContact O-CA 3.4Å; I224-R226 HydrophobicContact CG2-CG 4.26Å; R226-A229 PolarHBondContact O-N 2.9Å; R226-L297 HydrophobicContact CG-CD1 4.32Å
227	A	86.1	Confident	88	Confident	7 Å²	7	50.6 Å²	50.6	6%	0.058	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	54.4	-134.6	175.1	0	0	0	0	0	111.8	Y108 D199 A229 V230	Y108-A227 HydrophobicContact CD2-CB 3.52Å; Y108-A227 HydrophobicContact CE2-CB 3.61Å; Y108-A227 HydrophobicContact CG-CB 4.26Å; D199-A227 PolarHBondContact O-N 3.1Å; A227-A229 PolarHBondContact O-N 3.45Å; A227-V230 WeakPolarHBondContact O-CB 3.49Å; A227-V230 VanDerWaalsContact O-CG2 3.29Å; A227-V230 WeakPolarHBondContact O-CG2 3.45Å; A227-V230 PolarHBondContact O-N 2.99Å
228	E	86.7	Confident	87.8	Confident	56 Å²	56	50 Å²	50	26%	0.262	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-65.9	-16.4	-175.4	-168	168.2	169	0	0	114	R55 N56 T57 V230	R55-E228 WeakPolarHBondContact CD-OE1 3.17Å; R55-E228 IonicContact CZ-OE1 3.7Å; R55-E228 IonicContact NE-OE1 2.8Å; R55-E228 PolarHBondContact NE-OE1 2.94Å; R55-E228 IonicContact NE-OE2 3.97Å; R55-E228 IonicContact NH2-OE1 3.69Å; N56-E228 PolarHBondContact N-OE2 3.44Å; T57-E228 HydrophobicContact CG2-CB 3.79Å; T57-E228 PolarHBondContact OG1-OE2 3.03Å; E228-V230 PolarHBondContact O-N 3.46Å
229	A	86.4	Confident	87.7	Confident	10 Å²	10	48.3 Å²	48.3	8%	0.083	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-73.1	-9.8	176.2	0	0	0	0	0	113.2	R226 A227 T232 V301	R226-A229 PolarHBondContact O-N 2.9Å; A227-A229 PolarHBondContact O-N 3.45Å; A229-T232 WeakPolarHBondContact O-CG2 3.23Å; A229-T232 PolarHBondContact O-OG1 3.31Å; A229-V301 HydrophobicContact CB-CG2 4.44Å
230	V	89.8	Confident	87.7	Confident	20 Å²	20	41.7 Å²	41.7	12%	0.121	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	145	176.1	171.5	0	0	0	0	110.6	V144 D199 Q201 L225 A227 E228 T232	V144-V230 HydrophobicContact CB-CG1 4.14Å; V144-V230 HydrophobicContact CG1-CG1 3.76Å; V144-V230 HydrophobicContact CG2-CG1 3.28Å; D199-V230 HydrophobicContact CB-CG2 4.16Å; Q201-V230 HydrophobicContact CB-CB 4.38Å; Q201-V230 HydrophobicContact CB-CG1 3.85Å; Q201-V230 HydrophobicContact CB-CG2 3.95Å; L225-V230 HydrophobicContact CB-CG2 4.32Å; A227-V230 WeakPolarHBondContact O-CB 3.49Å; A227-V230 VanDerWaalsContact O-CG2 3.29Å; A227-V230 WeakPolarHBondContact O-CG2 3.45Å; A227-V230 PolarHBondContact O-N 2.99Å; E228-V230 PolarHBondContact O-N 3.46Å; V230-T232 PolarHBondContact O-N 3.08Å
231	E	87.4	Confident	87.8	Confident	126 Å²	126	38.2 Å²	38.2	59%	0.589	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.7	2.5	-178	-68.8	179.7	172.3	0	0	116.2	V144 Q234	V144-E231 HydrophobicContact CG2-CG 3.89Å; E231-Q234 PolarHBondContact O-NE2 3.24Å
232	T	85.4	Confident	87.9	Confident	67 Å²	67	37.5 Å²	37.5	41%	0.411	20%	0.195	S	C	.	.			trans	-70.3	-37.3	173.3	59.9	0	0	0	0	112.5	A229 V230 V301	A229-T232 WeakPolarHBondContact O-CG2 3.23Å; A229-T232 PolarHBondContact O-OG1 3.31Å; V230-T232 PolarHBondContact O-N 3.08Å; T232-V301 WeakPolarHBondContact OG1-CB 3.35Å
233	A	86.7	Confident	88	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.188	C	C	.	.	S	Bend	trans	-89.3	122.5	177.6	0	0	0	0	0	110.6	V138 T141 L225 F241 V301	V138-A233 HydrophobicContact CG2-CB 4.09Å; T141-A233 WeakPolarHBondContact CG2-O 3.35Å; L225-A233 HydrophobicContact CD1-CB 4.12Å; A233-F241 HydrophobicContact CB-CE1 4.21Å; A233-F241 HydrophobicContact CB-CZ 4.29Å; A233-V301 HydrophobicContact CB-CG1 4.19Å
234	Q	84.4	Confident	88	Confident	98 Å²	98	36.1 Å²	36.1	46%	0.458	19%	0.189	S	C	.	.			trans	-108.7	156.9	174.6	-60.7	-63.7	-34.3	0	0	111.4	V138 E231 G236 D237	V138-Q234 WeakPolarHBondContact CB-O 3.42Å; V138-Q234 WeakPolarHBondContact CG1-O 3.46Å; E231-Q234 PolarHBondContact O-NE2 3.24Å; Q234-G236 PolarHBondContact O-N 2.82Å; Q234-D237 WeakPolarHBondContact CB-OD2 3.49Å; Q234-D237 WeakPolarHBondContact O-CB 3.43Å; Q234-D237 PolarHBondContact O-N 2.82Å
235	A	82.2	Confident	88	Confident	42 Å²	42	35.8 Å²	35.8	35%	0.347	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	133.9	178.7	0	0	0	0	0	111.4
236	G	78.1	Confident	87.9	Confident	31 Å²	31	36.1 Å²	36.1	32%	0.32	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.2	-22.1	-177.2	0	0	0	0	0	114.2	Q137 V138 Q234	Q137-G236 PolarHBondContact NE2-O 2.72Å; Q137-G236 VanDerWaalsContact NE2-O 3.08Å; V138-G236 PolarHBondContact O-N 3.37Å; Q234-G236 PolarHBondContact O-N 2.82Å
237	D	80.9	Confident	87.9	Confident	73 Å²	73	35.4 Å²	35.4	39%	0.39	19%	0.191	S	C	.	.			trans	-72.4	152	-177.7	-72	-21.8	0	0	0	112.8	Q137 V138 Q234	Q137-D237 CarbonylContact C-O 3.56Å; Q137-D237 WeakPolarHBondContact CA-O 3.46Å; V138-D237 PolarHBondContact N-O 3.06Å; Q234-D237 WeakPolarHBondContact CB-OD2 3.49Å; Q234-D237 WeakPolarHBondContact O-CB 3.43Å; Q234-D237 PolarHBondContact O-N 2.82Å
238	R	85.6	Confident	87.9	Confident	136 Å²	136	35.6 Å²	35.6	51%	0.513	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	106.4	171.6	-64.1	-177.3	-176.2	176.3	3.3	108.2	T304	R238-T304 PolarHBondContact O-N 3.37Å; R238-T304 PolarHBondContact O-OG1 3.11Å
239	C	88.3	Confident	87.8	Confident	6 Å²	6	34.5 Å²	34.5	4%	0.041	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	145.1	-177.3	-55.3	0	0	0	0	110.3	G136 F241 V301 A302	G136-C239 PolarHBondContact N-O 3.07Å; G136-C239 VanDerWaalsContact N-O 3.11Å; G136-C239 PolarHBondContact O-N 3.49Å; G136-C239 VanDerWaalsContact O-N 3.15Å; C239-F241 HydrophobicContact CB-CD2 4.36Å; C239-F241 HydrophobicContact CB-CE1 4.36Å; C239-F241 HydrophobicContact CB-CE2 3.63Å; C239-F241 HydrophobicContact CB-CZ 3.63Å; C239-F241 WeakPolarHBondContact O-CD2 3.49Å; C239-F241 WeakPolarHBondContact O-CE2 3.21Å; C239-V301 HydrophobicContact CB-CG1 3.9Å; C239-A302 CarbonylContact C-O 3.59Å; C239-A302 WeakPolarHBondContact CA-O 3.34Å
240	D	90.6	Very high	87.3	Confident	7 Å²	7	36.8 Å²	36.8	4%	0.037	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	122.4	164.6	-72.7	-0.7	0	0	0	108.6	R117 K133 I134 S135 A302 T304	R117-D240 IonicContact NH1-OD1 2.77Å; K133-D240 VanDerWaalsContact CE-CB 3.48Å; K133-D240 WeakPolarHBondContact CE-OD2 3.35Å; K133-D240 IonicContact NZ-OD2 3.84Å; K133-D240 PolarHBondContact NZ-OD2 3.35Å; I134-D240 CarbonylContact O-C 3.6Å; I134-D240 WeakPolarHBondContact O-CA 3.31Å; S135-D240 VanDerWaalsContact CB-OD1 3.25Å; S135-D240 WeakPolarHBondContact CB-OD1 3.47Å; D240-A302 PolarHBondContact N-O 2.89Å; D240-A302 PolarHBondContact O-N 3.09Å; D240-T304 VanDerWaalsContact OD1-CB 3.31Å; D240-T304 WeakPolarHBondContact OD1-CB 3.37Å; D240-T304 WeakPolarHBondContact OD1-CG2 3.37Å; D240-T304 PolarHBondContact OD1-OG1 3.5Å
241	F	92.9	Very high	86.5	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	122.7	178	-58	-92.4	0	0	0	108.9	K133 I134 V138 I205 I223 L225 A233 C239 F296 A298 V301	K133-F241 WeakPolarHBondContact CA-O 3.48Å; I134-F241 HydrophobicContact CG1-CB 3.88Å; I134-F241 PolarHBondContact N-O 2.65Å; I134-F241 PolarHBondContact O-N 3.25Å; V138-F241 HydrophobicContact CG2-CZ 3.95Å; I205-F241 HydrophobicContact CG2-CD2 4.41Å; I205-F241 HydrophobicContact CG2-CE2 3.59Å; I205-F241 HydrophobicContact CG2-CZ 3.76Å; I223-F241 HydrophobicContact CD1-CB 3.91Å; I223-F241 HydrophobicContact CD1-CD1 3.59Å; I223-F241 HydrophobicContact CD1-CD2 3.42Å; I223-F241 VanDerWaalsContact CD1-CD2 3.42Å; I223-F241 HydrophobicContact CD1-CE1 3.93Å; I223-F241 HydrophobicContact CD1-CE2 3.77Å; I223-F241 HydrophobicContact CD1-CG 3.33Å; I223-F241 HydrophobicContact CD1-CZ 4.01Å; I223-F241 HydrophobicContact CG2-CD1 3.94Å; I223-F241 HydrophobicContact CG2-CE1 4.31Å; L225-F241 HydrophobicContact CD2-CD1 4.17Å; L225-F241 HydrophobicContact CD2-CE1 4.22Å; A233-F241 HydrophobicContact CB-CE1 4.21Å; A233-F241 HydrophobicContact CB-CZ 4.29Å; C239-F241 HydrophobicContact CB-CD2 4.36Å; C239-F241 HydrophobicContact CB-CE1 4.36Å; C239-F241 HydrophobicContact CB-CE2 3.63Å; C239-F241 HydrophobicContact CB-CZ 3.63Å; C239-F241 WeakPolarHBondContact O-CD2 3.49Å; C239-F241 WeakPolarHBondContact O-CE2 3.21Å; F241-F296 HydrophobicContact CB-CD1 4.43Å; F241-F296 HydrophobicContact CB-CE1 3.89Å; F241-A298 HydrophobicContact CB-CB 4.19Å; F241-A298 HydrophobicContact CD1-CB 4.2Å; F241-V301 HydrophobicContact CD1-CB 4.41Å; F241-V301 HydrophobicContact CD1-CG1 4.09Å; F241-V301 HydrophobicContact CD1-CG2 3.72Å; F241-V301 HydrophobicContact CE1-CB 4.45Å; F241-V301 HydrophobicContact CE1-CG1 3.77Å; F241-V301 HydrophobicContact CE1-CG2 3.87Å; F241-V301 HydrophobicContact CZ-CG1 4.36Å
242	T	93.3	Very high	85.6	Confident	6 Å²	6	36.1 Å²	36.1	4%	0.037	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	132.4	171.1	-62.1	0	0	0	0	109	I111 L114 L131 A298 C299 N300	I111-T242 WeakPolarHBondContact O-CG2 3.47Å; L114-T242 HydrophobicContact CD1-CG2 3.39Å; L131-T242 HydrophobicContact CD1-CG2 3.99Å; L131-T242 HydrophobicContact CG-CG2 4.42Å; T242-A298 CarbonylContact O-C 3.57Å; T242-A298 WeakPolarHBondContact O-CA 3.38Å; T242-C299 PolarHBondContact O-N 2.84Å; T242-C299 PolarHBondContact O-SG 3.05Å; T242-N300 PolarHBondContact N-O 3.24Å; T242-N300 PolarHBondContact O-N 3.35Å
243	G	93.2	Very high	84.6	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.6	-154.1	178.6	0	0	0	0	0	113.6	L131 V132 L297	L131-G243 WeakPolarHBondContact CA-O 3.21Å; V132-G243 PolarHBondContact N-O 3.39Å; V132-G243 PolarHBondContact O-N 3.48Å; V132-G243 VanDerWaalsContact O-O 3.09Å; G243-L297 CarbonylContact C-O 3.51Å; G243-L297 VanDerWaalsContact CA-O 3.27Å; G243-L297 WeakPolarHBondContact CA-O 3.47Å
244	T	93.4	Very high	83.5	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.012	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	142.6	-176.7	174.8	0	0	0	0	111.3	Y80 Y81 G129 T130 I246 L297	Y80-T244 HydrophobicContact CD1-CG2 3.92Å; Y80-T244 HydrophobicContact CE1-CG2 4.18Å; Y81-T244 HydrophobicContact CD2-CG2 4.39Å; G129-T244 VanDerWaalsContact CA-OG1 3.26Å; G129-T244 WeakPolarHBondContact CA-OG1 3.22Å; G129-T244 PolarHBondContact N-OG1 2.86Å; T130-T244 WeakPolarHBondContact O-CA 3.34Å; T130-T244 WeakPolarHBondContact O-CB 3.48Å; T130-T244 PolarHBondContact O-OG1 3.18Å; T244-I246 HydrophobicContact CG2-CG2 4.04Å; T244-L297 HydrophobicContact CG2-CB 4.19Å; T244-L297 HydrophobicContact CG2-CD2 4.33Å; T244-L297 PolarHBondContact N-O 3.36Å; T244-L297 PolarHBondContact O-N 3.33Å
245	L	93.6	Very high	82.2	Confident	1 Å²	1	38.8 Å²	38.8	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	128.1	168.4	-168.8	69.5	0	0	0	109.1	L123 I128 G129 L294 F296	L123-L245 HydrophobicContact CB-CD2 4.42Å; I128-L245 WeakPolarHBondContact CA-O 3.3Å; I128-L245 HydrophobicContact CG1-CD2 4.1Å; I128-L245 HydrophobicContact CG1-CG 4.44Å; G129-L245 PolarHBondContact N-O 2.88Å; L245-L294 HydrophobicContact CD1-CB 4.38Å; L245-L294 HydrophobicContact CD2-CD2 4.16Å; L245-L294 HydrophobicContact CG-CD2 4.31Å; L245-F296 HydrophobicContact CD1-CD2 4.35Å
246	I	92	Very high	81.1	Confident	7 Å²	7	41.3 Å²	41.3	4%	0.036	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	158.3	178.8	60.5	163.2	0	0	0	110.9	Y81 F169 I224 T244 V248 A295 L297	Y81-I246 HydrophobicContact CD2-CG2 4.21Å; Y81-I246 HydrophobicContact CE2-CG2 4.19Å; F169-I246 HydrophobicContact CE1-CD1 3.87Å; F169-I246 HydrophobicContact CE2-CD1 4.4Å; F169-I246 HydrophobicContact CZ-CD1 3.49Å; F169-I246 VanDerWaalsContact CZ-CD1 3.49Å; I224-I246 HydrophobicContact CD1-CD1 4.29Å; T244-I246 HydrophobicContact CG2-CG2 4.04Å; I246-V248 HydrophobicContact CD1-CG2 3.92Å; I246-V248 HydrophobicContact CG1-CG2 4.32Å; I246-A295 HydrophobicContact CG1-CB 4.21Å; I246-A295 VanDerWaalsContact CG1-O 3.23Å; I246-A295 WeakPolarHBondContact CG1-O 3.37Å; I246-A295 PolarHBondContact N-O 3.13Å; I246-A295 PolarHBondContact O-N 3.13Å; I246-L297 HydrophobicContact CD1-CB 3.98Å; I246-L297 HydrophobicContact CG1-CB 4.12Å; I246-L297 HydrophobicContact CG2-CB 4.14Å; I246-L297 HydrophobicContact CG2-CD2 4.48Å
247	V	89.3	Confident	79.5	Confident	48 Å²	48	45.9 Å²	45.9	29%	0.291	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	119.9	174.7	177.9	0	0	0	0	108.4	I128 Y292 L294	I128-V247 HydrophobicContact CD1-CG2 3.53Å; I128-V247 HydrophobicContact CG1-CG2 4.19Å; I128-V247 HydrophobicContact CG2-CG2 4.25Å; V247-Y292 HydrophobicContact CG1-CD1 3.28Å; V247-Y292 HydrophobicContact CG1-CE1 4.11Å; V247-Y292 HydrophobicContact CG1-CG 3.59Å; V247-L294 HydrophobicContact CG2-CD2 3.96Å
248	V	86.3	Confident	78	Confident	12 Å²	12	45.7 Å²	45.7	7%	0.073	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	124.1	177.4	-179	0	0	0	0	108.4	I246 R293 A295	I246-V248 HydrophobicContact CD1-CG2 3.92Å; I246-V248 HydrophobicContact CG1-CG2 4.32Å; V248-R293 HydrophobicContact CB-CG 4Å; V248-R293 PolarHBondContact N-O 3.18Å; V248-R293 WeakPolarHBondContact O-CG 3.46Å; V248-R293 PolarHBondContact O-N 3.1Å; V248-A295 HydrophobicContact CG2-CB 3.8Å
249	P	83.1	Confident	76.3	Confident	32 Å²	32	45.7 Å²	45.7	21%	0.208	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	147.2	174.1	29.6	-33.1	0	0	0	111.1	V251 L254 Y292	P249-V251 PolarHBondContact O-N 3.35Å; P249-V251 VanDerWaalsContact O-N 3.17Å; P249-L254 HydrophobicContact CB-CD1 3.79Å; P249-L254 HydrophobicContact CG-CD1 4.17Å; P249-Y292 HydrophobicContact CB-CD1 4.04Å; P249-Y292 HydrophobicContact CB-CE1 3.82Å
250	D	77.6	Confident	74.3	Confident	58 Å²	58	55.4 Å²	55.4	31%	0.31	32%	0.322	S	S	.	.			trans	-73.5	105.8	168.7	-172.2	-5.2	0	0	0	110.4	S252 Q253 L254 S291	D250-S252 PolarHBondContact O-N 2.96Å; D250-S252 WeakPolarHBondContact OD1-CB 3.45Å; D250-S252 PolarHBondContact OD1-N 3.45Å; D250-S252 VanDerWaalsContact OD1-N 3.08Å; D250-S252 PolarHBondContact OD1-OG 3.34Å; D250-S252 PolarHBondContact OD2-OG 2.98Å; D250-S252 VanDerWaalsContact OD2-OG 3.12Å; D250-Q253 HydrophobicContact CB-CG 4.43Å; D250-Q253 PolarHBondContact O-N 3.3Å; D250-Q253 PolarHBondContact OD2-NE2 2.95Å; D250-L254 PolarHBondContact O-N 2.92Å; D250-S291 PolarHBondContact N-O 3.28Å
251	V	72.1	Confident	72.1	Confident	68 Å²	68	57.9 Å²	57.9	41%	0.412	34%	0.343	S	S	.	.	H	α-helix	trans	-66.4	-23.5	-178.1	-68.3	0	0	0	0	113.2	K170 P249 Q253 L254 S255	K170-V251 HydrophobicContact CB-CG1 4.41Å; P249-V251 PolarHBondContact O-N 3.35Å; P249-V251 VanDerWaalsContact O-N 3.17Å; V251-Q253 VanDerWaalsContact C-N 3.33Å; V251-L254 PolarHBondContact O-N 3.29Å; V251-S255 PolarHBondContact O-N 3.33Å; V251-S255 PolarHBondContact O-OG 3.27Å
252	S	68.5	Low	70	Confident	65 Å²	65	65.2 Å²	65.2	46%	0.455	38%	0.377	S	S	.	.	H	α-helix	trans	-64.4	-41.5	178.1	69.9	0	0	0	0	110.9	D250 L254 S255 T256	D250-S252 PolarHBondContact O-N 2.96Å; D250-S252 WeakPolarHBondContact OD1-CB 3.45Å; D250-S252 PolarHBondContact OD1-N 3.45Å; D250-S252 VanDerWaalsContact OD1-N 3.08Å; D250-S252 PolarHBondContact OD1-OG 3.34Å; D250-S252 PolarHBondContact OD2-OG 2.98Å; D250-S252 VanDerWaalsContact OD2-OG 3.12Å; S252-L254 VanDerWaalsContact C-N 3.32Å; S252-L254 PolarHBondContact O-N 3.25Å; S252-S255 PolarHBondContact O-N 2.72Å; S252-S255 PolarHBondContact O-OG 2.97Å; S252-S255 VanDerWaalsContact O-OG 3.12Å; S252-T256 PolarHBondContact O-OG1 2.84Å
253	Q	65.4	Low	67.6	Low	89 Å²	89	71.7 Å²	71.7	42%	0.416	42%	0.417	S	S	.	.	H	α-helix	trans	-74.8	-21.7	177.4	-61.6	176.7	12.4	0	0	112.7	D250 V251 S291	D250-Q253 HydrophobicContact CB-CG 4.43Å; D250-Q253 PolarHBondContact O-N 3.3Å; D250-Q253 PolarHBondContact OD2-NE2 2.95Å; V251-Q253 VanDerWaalsContact C-N 3.33Å; Q253-S291 PolarHBondContact NE2-OG 3.22Å; Q253-S291 PolarHBondContact OE1-OG 2.73Å
254	L	63.3	Low	65.1	Low	47 Å²	47	76.6 Å²	76.6	25%	0.246	45%	0.451	C	S	.	.	H	α-helix	trans	-79.5	-25.1	175.9	-81.6	158.2	0	0	0	113.7	P249 D250 V251 S252 L290	P249-L254 HydrophobicContact CB-CD1 3.79Å; P249-L254 HydrophobicContact CG-CD1 4.17Å; D250-L254 PolarHBondContact O-N 2.92Å; V251-L254 PolarHBondContact O-N 3.29Å; S252-L254 VanDerWaalsContact C-N 3.32Å; S252-L254 PolarHBondContact O-N 3.25Å; L254-L290 HydrophobicContact CD2-CD2 4.38Å
255	S	56.7	Low	62.8	Low	84 Å²	84	82.4 Å²	82.4	59%	0.587	49%	0.487	S	S	*	.	H	α-helix	trans	-94.1	-13.7	-172.5	66.4	0	0	0	0	114.5	V251 S252 P257	V251-S255 PolarHBondContact O-N 3.33Å; V251-S255 PolarHBondContact O-OG 3.27Å; S252-S255 PolarHBondContact O-N 2.72Å; S252-S255 PolarHBondContact O-OG 2.97Å; S252-S255 VanDerWaalsContact O-OG 3.12Å; S255-P257 VanDerWaalsContact O-CD 3.28Å; S255-P257 WeakPolarHBondContact O-CD 3.23Å
256	T	59	Low	60.4	Low	95 Å²	95	94 Å²	94	58%	0.583	53%	0.531	S	S	*	.			trans	-63.9	117.3	177.5	-43.2	0	0	0	0	111	S252 G258	S252-T256 PolarHBondContact O-OG1 2.84Å; T256-G258 PolarHBondContact O-N 3.49Å
257	P	45.2	Very low	57.9	Low	128 Å²	128	99.7 Å²	99.7	83%	0.831	57%	0.565	S	S	*	*	S	Bend	trans	-77	122	179.7	-6.7	23.2	0	0	0	110.2	S255	S255-P257 VanDerWaalsContact O-CD 3.28Å; S255-P257 WeakPolarHBondContact O-CD 3.23Å
258	G	49.1	Very low	55.6	Low	69 Å²	69	103.4 Å²	103.4	71%	0.711	59%	0.59	S	S	*	*	S	Bend	trans	165.8	-30.8	172.8	0	0	0	0	0	118.1	T256	T256-G258 PolarHBondContact O-N 3.49Å
259	L	49.5	Very low	53.7	Low	136 Å²	136	106.4 Å²	106.4	71%	0.712	62%	0.624	S	S	*	*			trans	-145.8	110.4	178.9	-78.1	103.4	0	0	0	111	R288	L259-R288 PolarHBondContact O-NE 3.12Å; L259-R288 PolarHBondContact O-NH2 2.72Å
260	R	47.3	Very low	51.4	Low	210 Å²	210	116.3 Å²	116.3	79%	0.792	66%	0.657	S	S	*	*			trans	-84.3	130	172.7	-72	-178	173.9	158.2	0.2	109.2	E262	R260-E262 PolarHBondContact O-N 3.28Å
261	A	44.4	Very low	49.9	Very low	59 Å²	59	119.5 Å²	119.5	49%	0.488	68%	0.681	S	S	.	*			trans	-83	98.5	163.2	0	0	0	0	0	107.2	G286 R288	A261-G286 VanDerWaalsContact CB-O 3.23Å; A261-G286 WeakPolarHBondContact CB-O 3.49Å; A261-R288 HydrophobicContact CB-CG 4.32Å
262	E	48.5	Very low	48.7	Very low	154 Å²	154	125.8 Å²	125.8	72%	0.72	71%	0.706	S	S	*	*			trans	-93.5	126.3	165.5	-74.1	-177.9	-178.7	0	0	108.1	R260 S264	R260-E262 PolarHBondContact O-N 3.28Å; E262-S264 VanDerWaalsContact C-N 3.28Å; E262-S264 PolarHBondContact O-N 3.06Å
263	T	41.8	Very low	47.1	Very low	142 Å²	142	126.4 Å²	126.4	87%	0.871	72%	0.722	S	S	*	*			trans	-67	94	158	27.9	0	0	0	0	107	T265	T263-T265 PolarHBondContact O-N 2.84Å
264	S	40.7	Very low	46.3	Very low	102 Å²	102	130.4 Å²	130.4	71%	0.713	75%	0.746	S	S	*	*			trans	-57.3	113.3	178.6	-177.4	0	0	0	0	110	E262 R266	E262-S264 VanDerWaalsContact C-N 3.28Å; E262-S264 PolarHBondContact O-N 3.06Å; S264-R266 PolarHBondContact O-N 3.42Å
265	T	44.6	Very low	44.9	Very low	125 Å²	125	137.4 Å²	137.4	77%	0.767	78%	0.777	S	S	*	*			trans	-64.6	124.4	166.3	41.6	0	0	0	0	108.7	T263 V267	T263-T265 PolarHBondContact O-N 2.84Å; T265-V267 PolarHBondContact O-N 3.28Å
266	R	43.6	Very low	44.4	Very low	245 Å²	245	139.6 Å²	139.6	93%	0.925	79%	0.792	S	S	*	*			trans	-33	120.6	176.9	-69.8	176.8	173.7	170	-2.2	112.9	S264	S264-R266 PolarHBondContact O-N 3.42Å
267	V	40	Very low	43.4	Very low	126 Å²	126	144.2 Å²	144.2	76%	0.764	81%	0.807	S	S	*	*			trans	-82	121.3	166.6	-179.8	0	0	0	0	108.3	T265	T265-V267 PolarHBondContact O-N 3.28Å
268	P	41.9	Very low	42.9	Very low	125 Å²	125	141.1 Å²	141.1	81%	0.812	80%	0.798	S	S	*	*			trans	-81	121.7	175.9	31.4	-28.2	0	0	0	109.4
269	G	45.3	Very low	42.7	Very low	75 Å²	75	146.6 Å²	146.6	77%	0.773	81%	0.81	S	S	*	*			trans	115.9	79.7	164.5	0	0	0	0	0	116
270	R	34.7	Very low	42.4	Very low	241 Å²	241	152 Å²	152	91%	0.909	82%	0.821	S	S	*	*			trans	-159.4	136.2	141.4	-152.3	166.1	-174.3	177.6	0.8	111.1
271	P	45.9	Very low	42.2	Very low	124 Å²	124	143.6 Å²	143.6	81%	0.805	80%	0.8	S	S	*	*			trans	-84.7	162.6	-173.2	33.9	-33.8	0	0	0	113.7
272	Q	47.5	Very low	42.4	Very low	201 Å²	201	147.3 Å²	147.3	94%	0.939	81%	0.811	S	S	*	*			trans	-50.1	130.7	-175.5	-148.2	162.3	13.8	0	0	115
273	G	34.9	Very low	42.4	Very low	78 Å²	78	150 Å²	150	80%	0.804	82%	0.821	S	S	*	*			trans	-160.5	110.8	168	0	0	0	0	0	109
274	L	47.6	Very low	42.5	Very low	173 Å²	173	147.7 Å²	147.7	91%	0.906	82%	0.815	S	S	*	*			trans	-96.3	115	-173.1	-170.5	92.1	0	0	0	108.7
275	E	35.1	Very low	42.7	Very low	194 Å²	194	148.1 Å²	148.1	91%	0.907	81%	0.809	S	S	*	*			trans	-141.7	140.2	153.2	-78	-163	159.9	0	0	111.7	E277	E275-E277 PolarHBondContact O-N 3.46Å
276	S	45.8	Very low	42.7	Very low	129 Å²	129	144.3 Å²	144.3	90%	0.902	79%	0.794	S	S	*	*			trans	-62.6	103.1	-171.4	166.1	0	0	0	0	113.1
277	E	37.6	Very low	42.9	Very low	192 Å²	192	137.8 Å²	137.8	90%	0.897	78%	0.782	S	S	*	*			trans	-127.2	120.3	160.2	-148.8	175.4	-166.2	0	0	108.6	E275	E275-E277 PolarHBondContact O-N 3.46Å
278	G	34.8	Very low	43.7	Very low	63 Å²	63	135.8 Å²	135.8	65%	0.649	76%	0.761	S	S	*	*			trans	-59	155	-171.3	0	0	0	0	0	113.8	R280	G278-R280 PolarHBondContact O-N 2.93Å
279	L	44.7	Very low	44.3	Very low	184 Å²	184	138.7 Å²	138.7	96%	0.963	76%	0.763	S	S	*	*	S	Bend	trans	-63.8	65.6	178.3	-68.7	144.9	0	0	0	113
280	R	42.7	Very low	45.2	Very low	250 Å²	250	139 Å²	139	94%	0.943	75%	0.746	S	S	*	*			trans	-104.2	26.8	165.7	-71.8	-166	175.2	-142.9	0.7	112	G278	G278-R280 PolarHBondContact O-N 2.93Å
281	G	43.2	Very low	47.2	Very low	34 Å²	34	129.9 Å²	129.9	35%	0.351	72%	0.72	S	S	.	*			trans	-107.2	13.2	-173.3	0	0	0	0	0	116.4	K283 A284 L285	G281-K283 PolarHBondContact O-N 3.29Å; G281-A284 PolarHBondContact O-N 3.32Å; G281-A284 VanDerWaalsContact O-N 3.08Å; G281-L285 PolarHBondContact O-N 3.23Å
282	L	50	Low	48.9	Very low	137 Å²	137	130.6 Å²	130.6	72%	0.717	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.8	-18.3	178	-87.9	153.7	0	0	0	113.7	L285	L282-L285 VanDerWaalsContact O-O 3.1Å
283	K	47.4	Very low	50.7	Low	211 Å²	211	126.3 Å²	126.3	92%	0.917	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.6	-17.8	170.7	-92.8	-174	173.3	180	0	114.3	G281	G281-K283 PolarHBondContact O-N 3.29Å
284	A	43.8	Very low	53.2	Low	92 Å²	92	126.5 Å²	126.5	76%	0.76	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.5	-23.6	179.3	0	0	0	0	0	112.3	G281 G286	G281-A284 PolarHBondContact O-N 3.32Å; G281-A284 VanDerWaalsContact O-N 3.08Å; A284-G286 PolarHBondContact O-N 3.04Å
285	L	45.7	Very low	55.3	Low	112 Å²	112	118.2 Å²	118.2	59%	0.586	62%	0.622	S	S	*	*	S	Bend	trans	-72.1	107.8	156.9	-63.9	166.5	0	0	0	105.5	G281 L282 V287	G281-L285 PolarHBondContact O-N 3.23Å; L282-L285 VanDerWaalsContact O-O 3.1Å; L285-V287 HydrophobicContact CB-CG2 4.03Å; L285-V287 PolarHBondContact O-N 3.06Å
286	G	44.9	Very low	58.1	Low	44 Å²	44	109 Å²	109	45%	0.454	58%	0.579	S	S	.	*			trans	-64.5	54.1	-179.1	0	0	0	0	0	114.1	A261 A284 R288	A261-G286 VanDerWaalsContact CB-O 3.23Å; A261-G286 WeakPolarHBondContact CB-O 3.49Å; A284-G286 PolarHBondContact O-N 3.04Å; G286-R288 PolarHBondContact O-N 2.92Å
287	V	48.5	Very low	60.3	Low	108 Å²	108	103.8 Å²	103.8	66%	0.655	54%	0.541	S	S	*	.			trans	-78.7	99.8	175.5	-174.7	0	0	0	0	106.1	L285 E289	L285-V287 HydrophobicContact CB-CG2 4.03Å; L285-V287 PolarHBondContact O-N 3.06Å; V287-E289 PolarHBondContact O-N 3.1Å
288	R	56.3	Low	63	Low	85 Å²	85	94.8 Å²	94.8	32%	0.321	50%	0.499	S	S	.	.			trans	-57.4	130.6	164.3	-69	178.4	175.9	-163.5	-6.6	107.5	L259 A261 G286 L290	L259-R288 PolarHBondContact O-NE 3.12Å; L259-R288 PolarHBondContact O-NH2 2.72Å; A261-R288 HydrophobicContact CB-CG 4.32Å; G286-R288 PolarHBondContact O-N 2.92Å; R288-L290 HydrophobicContact CB-CD2 4.26Å; R288-L290 HydrophobicContact CB-CG 4.11Å; R288-L290 PolarHBondContact O-N 3.34Å
289	E	54	Low	65.5	Low	185 Å²	185	92.8 Å²	92.8	86%	0.864	48%	0.475	S	S	*	.			trans	-68.4	93.5	155.5	-80	-177.1	171.7	0	0	106.4	V287 S291	V287-E289 PolarHBondContact O-N 3.1Å; E289-S291 PolarHBondContact O-N 2.91Å
290	L	64.8	Low	67.7	Low	81 Å²	81	84.8 Å²	84.8	42%	0.424	43%	0.433	S	S	.	.			trans	-75.1	101.8	170.6	-69.6	168.3	0	0	0	106.7	L254 R288 Y292	L254-L290 HydrophobicContact CD2-CD2 4.38Å; R288-L290 HydrophobicContact CB-CD2 4.26Å; R288-L290 HydrophobicContact CB-CG 4.11Å; R288-L290 PolarHBondContact O-N 3.34Å; L290-Y292 HydrophobicContact CB-CD2 4.13Å; L290-Y292 HydrophobicContact CB-CE2 3.53Å; L290-Y292 HydrophobicContact CD1-CE2 4.3Å; L290-Y292 VanDerWaalsContact O-CD2 3.3Å; L290-Y292 WeakPolarHBondContact O-CD2 3.47Å; L290-Y292 PolarHBondContact O-N 2.62Å
291	S	76.4	Confident	69.9	Low	51 Å²	51	73.7 Å²	73.7	36%	0.357	39%	0.393	S	S	.	.			trans	-75	127.3	170.7	71.8	0	0	0	0	109.4	D250 Q253 E289	D250-S291 PolarHBondContact N-O 3.28Å; Q253-S291 PolarHBondContact NE2-OG 3.22Å; Q253-S291 PolarHBondContact OE1-OG 2.73Å; E289-S291 PolarHBondContact O-N 2.91Å
292	Y	81.9	Confident	72	Confident	139 Å²	139	73.8 Å²	73.8	55%	0.545	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	135.8	-179.3	-77	-69	0	0	0	108.1	V247 P249 L290	V247-Y292 HydrophobicContact CG1-CD1 3.28Å; V247-Y292 HydrophobicContact CG1-CE1 4.11Å; V247-Y292 HydrophobicContact CG1-CG 3.59Å; P249-Y292 HydrophobicContact CB-CD1 4.04Å; P249-Y292 HydrophobicContact CB-CE1 3.82Å; L290-Y292 HydrophobicContact CB-CD2 4.13Å; L290-Y292 HydrophobicContact CB-CE2 3.53Å; L290-Y292 HydrophobicContact CD1-CE2 4.3Å; L290-Y292 VanDerWaalsContact O-CD2 3.3Å; L290-Y292 WeakPolarHBondContact O-CD2 3.47Å; L290-Y292 PolarHBondContact O-N 2.62Å
293	R	84.7	Confident	73.6	Confident	111 Å²	111	69 Å²	69	42%	0.419	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	140.7	172.9	67.3	-175	-170.5	134.3	11.9	109.8	E222 V248	E222-R293 IonicContact OE1-NH1 3.39Å; E222-R293 IonicContact OE2-CZ 3.53Å; E222-R293 IonicContact OE2-NH1 3.42Å; E222-R293 PolarHBondContact OE2-NH1 3.03Å; E222-R293 IonicContact OE2-NH2 2.77Å; V248-R293 HydrophobicContact CB-CG 4Å; V248-R293 PolarHBondContact N-O 3.18Å; V248-R293 WeakPolarHBondContact O-CG 3.46Å; V248-R293 PolarHBondContact O-N 3.1Å
294	L	87.8	Confident	74.9	Confident	81 Å²	81	60.2 Å²	60.2	42%	0.424	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	131.1	170.6	-66.5	173.7	0	0	0	108.8	I128 L245 V247	I128-L294 HydrophobicContact CD1-CD2 4.25Å; I128-L294 HydrophobicContact CG1-CD2 4.4Å; L245-L294 HydrophobicContact CD1-CB 4.38Å; L245-L294 HydrophobicContact CD2-CD2 4.16Å; L245-L294 HydrophobicContact CG-CD2 4.31Å; V247-L294 HydrophobicContact CG2-CD2 3.96Å
295	A	91	Very high	76	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	150.6	170.5	0	0	0	0	0	108.4	I224 I246 V248	I224-A295 HydrophobicContact CD1-CB 4.2Å; I246-A295 HydrophobicContact CG1-CB 4.21Å; I246-A295 VanDerWaalsContact CG1-O 3.23Å; I246-A295 WeakPolarHBondContact CG1-O 3.37Å; I246-A295 PolarHBondContact N-O 3.13Å; I246-A295 PolarHBondContact O-N 3.13Å; V248-A295 HydrophobicContact CG2-CB 3.8Å
296	F	93.9	Very high	76.6	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	124.3	176.7	-169.4	-97.3	0	0	0	109.2	V132 I134 L221 E222 I223 I224 F241 L245 A298	V132-F296 HydrophobicContact CB-CE2 4.43Å; V132-F296 WeakPolarHBondContact O-CZ 3.49Å; I134-F296 HydrophobicContact CD1-CB 4.27Å; I134-F296 HydrophobicContact CD1-CD1 3.59Å; I134-F296 HydrophobicContact CD1-CD2 3.8Å; I134-F296 HydrophobicContact CD1-CE1 3.75Å; I134-F296 HydrophobicContact CD1-CE2 3.95Å; I134-F296 HydrophobicContact CD1-CG 3.61Å; I134-F296 HydrophobicContact CD1-CZ 3.91Å; I134-F296 HydrophobicContact CG1-CD1 4.2Å; I134-F296 HydrophobicContact CG1-CE1 3.83Å; I134-F296 HydrophobicContact CG1-CE2 4.22Å; I134-F296 HydrophobicContact CG1-CZ 3.83Å; I134-F296 HydrophobicContact CG2-CE2 4.09Å; I134-F296 HydrophobicContact CG2-CZ 4.3Å; L221-F296 HydrophobicContact CD2-CB 3.85Å; L221-F296 HydrophobicContact CD2-CG 4.49Å; L221-F296 HydrophobicContact CG-CB 4.41Å; E222-F296 PolarHBondContact O-N 3.44Å; I223-F296 CarbonylContact C-O 3.58Å; I223-F296 VanDerWaalsContact CA-O 3.29Å; I223-F296 WeakPolarHBondContact CA-O 3.46Å; I223-F296 HydrophobicContact CD1-CD1 4.25Å; I223-F296 HydrophobicContact CG1-CB 4.22Å; I223-F296 HydrophobicContact CG1-CD1 4.3Å; I223-F296 HydrophobicContact CG2-CD1 4.29Å; I224-F296 PolarHBondContact N-O 2.77Å; F241-F296 HydrophobicContact CB-CD1 4.43Å; F241-F296 HydrophobicContact CB-CE1 3.89Å; L245-F296 HydrophobicContact CD1-CD2 4.35Å; F296-A298 HydrophobicContact CD1-CB 4.22Å; F296-A298 HydrophobicContact CE1-CB 4.07Å
297	L	93	Very high	77.1	Confident	20 Å²	20	65.8 Å²	65.8	11%	0.105	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	105.5	175.9	178.5	65.3	0	0	0	108.1	I224 R226 G243 T244 I246	I224-L297 HydrophobicContact CB-CD1 3.99Å; I224-L297 HydrophobicContact CG2-CD1 3.66Å; R226-L297 HydrophobicContact CG-CD1 4.32Å; G243-L297 CarbonylContact C-O 3.51Å; G243-L297 VanDerWaalsContact CA-O 3.27Å; G243-L297 WeakPolarHBondContact CA-O 3.47Å; T244-L297 HydrophobicContact CG2-CB 4.19Å; T244-L297 HydrophobicContact CG2-CD2 4.33Å; T244-L297 PolarHBondContact N-O 3.36Å; T244-L297 PolarHBondContact O-N 3.33Å; I246-L297 HydrophobicContact CD1-CB 3.98Å; I246-L297 HydrophobicContact CG1-CB 4.12Å; I246-L297 HydrophobicContact CG2-CB 4.14Å; I246-L297 HydrophobicContact CG2-CD2 4.48Å
298	A	92.9	Very high	77.1	Confident	3 Å²	3	63 Å²	63	3%	0.025	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	135.4	178.7	0	0	0	0	0	110.6	I223 I224 L225 F241 T242 F296	I223-A298 HydrophobicContact CG2-CB 3.78Å; I224-A298 PolarHBondContact O-N 2.9Å; L225-A298 HydrophobicContact CD2-CB 3.76Å; F241-A298 HydrophobicContact CB-CB 4.19Å; F241-A298 HydrophobicContact CD1-CB 4.2Å; T242-A298 CarbonylContact O-C 3.57Å; T242-A298 WeakPolarHBondContact O-CA 3.38Å; F296-A298 HydrophobicContact CD1-CB 4.22Å; F296-A298 HydrophobicContact CE1-CB 4.07Å
299	C	88.4	Confident	76.4	Confident	20 Å²	20	62.9 Å²	62.9	14%	0.135	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	-26.7	170.1	58.1	0	0	0	0	112	Y80 T242	Y80-C299 PolarHBondContact OH-SG 3.15Å; Y80-C299 VanDerWaalsContact OH-SG 3.41Å; T242-C299 PolarHBondContact O-N 2.84Å; T242-C299 PolarHBondContact O-SG 3.05Å
300	N	90.1	Very high	75.8	Confident	16 Å²	16	57.2 Å²	57.2	9%	0.086	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	148	175.5	-168	22.1	0	0	0	111.3	A110 E112 T242	A110-N300 HydrophobicContact CB-CB 4.16Å; E112-N300 VanDerWaalsContact CG-ND2 3.3Å; E112-N300 WeakPolarHBondContact CG-ND2 3.27Å; E112-N300 PolarHBondContact OE1-ND2 3.07Å; T242-N300 PolarHBondContact N-O 3.24Å; T242-N300 PolarHBondContact O-N 3.35Å
301	V	89.9	Confident	74.8	Confident	18 Å²	18	59.6 Å²	59.6	11%	0.109	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	121.9	173.7	-174.7	0	0	0	0	107.3	L225 A229 T232 A233 C239 F241	L225-V301 HydrophobicContact CD1-CG2 4.24Å; L225-V301 HydrophobicContact CD2-CG2 3.47Å; L225-V301 VanDerWaalsContact CD2-CG2 3.47Å; L225-V301 HydrophobicContact CG-CG2 4.49Å; A229-V301 HydrophobicContact CB-CG2 4.44Å; T232-V301 WeakPolarHBondContact OG1-CB 3.35Å; A233-V301 HydrophobicContact CB-CG1 4.19Å; C239-V301 HydrophobicContact CB-CG1 3.9Å; F241-V301 HydrophobicContact CD1-CB 4.41Å; F241-V301 HydrophobicContact CD1-CG1 4.09Å; F241-V301 HydrophobicContact CD1-CG2 3.72Å; F241-V301 HydrophobicContact CE1-CB 4.45Å; F241-V301 HydrophobicContact CE1-CG1 3.77Å; F241-V301 HydrophobicContact CE1-CG2 3.87Å; F241-V301 HydrophobicContact CZ-CG1 4.36Å
302	A	87.1	Confident	73.4	Confident	36 Å²	36	64.4 Å²	64.4	30%	0.298	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	148.8	174.1	0	0	0	0	0	109.4	C239 D240	C239-A302 CarbonylContact C-O 3.59Å; C239-A302 WeakPolarHBondContact CA-O 3.34Å; D240-A302 PolarHBondContact N-O 2.89Å; D240-A302 PolarHBondContact O-N 3.09Å
303	P	82.4	Confident	71.5	Confident	36 Å²	36	61.8 Å²	61.8	23%	0.234	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	139	168.4	29.2	-36.6	0	0	0	109.9	N305 P306 E312	P303-N305 PolarHBondContact O-N 3.48Å; P303-P306 HydrophobicContact CG-CB 4.45Å; P303-E312 HydrophobicContact CG-CG 4.33Å
304	T	74.5	Confident	69.5	Low	26 Å²	26	66.5 Å²	66.5	16%	0.16	36%	0.363	C	S	.	.	S	Bend	trans	-60.4	-34.2	-176.9	-59.6	0	0	0	0	113	R238 D240	R238-T304 PolarHBondContact O-N 3.37Å; R238-T304 PolarHBondContact O-OG1 3.11Å; D240-T304 VanDerWaalsContact OD1-CB 3.31Å; D240-T304 WeakPolarHBondContact OD1-CB 3.37Å; D240-T304 WeakPolarHBondContact OD1-CG2 3.37Å; D240-T304 PolarHBondContact OD1-OG1 3.5Å
305	N	67.3	Low	67.6	Low	126 Å²	126	68 Å²	68	67%	0.674	37%	0.372	S	S	*	.	S	Bend	trans	-124.1	94.6	173.9	-70.7	-16.8	0	0	0	107.6	P303 R307	P303-N305 PolarHBondContact O-N 3.48Å; N305-R307 PolarHBondContact O-N 3.29Å
306	P	59	Low	65.1	Low	80 Å²	80	76.2 Å²	76.2	52%	0.519	41%	0.41	S	S	.	.			trans	-62.9	111.7	172.3	26.1	-31.8	0	0	0	107.6	P303 F308	P303-P306 HydrophobicContact CG-CB 4.45Å; P306-F308 PolarHBondContact O-N 3.49Å; P306-F308 VanDerWaalsContact O-N 3.16Å
307	R	56.2	Low	62.8	Low	159 Å²	159	84.9 Å²	84.9	60%	0.6	45%	0.45	S	S	*	.	S	Bend	trans	-70.2	-10.6	-172.1	-69.8	177	170.8	162.3	-9.7	113.1	N305 P412	N305-R307 PolarHBondContact O-N 3.29Å; R307-P412 VanDerWaalsContact NE-CB 3.32Å; R307-P412 PolarHBondContact NH1-O 3.04Å; R307-P412 VanDerWaalsContact NH2-CA 3.27Å; R307-P412 PolarHBondContact NH2-O 3.34Å
308	F	47	Very low	61.2	Low	51 Å²	51	87.3 Å²	87.3	22%	0.224	46%	0.461	C	S	.	.	S	Bend	trans	-155.7	128.3	-178.4	-113.7	-95.7	0	0	0	110.5	P306 G310 I323 M327 R572 L575	P306-F308 PolarHBondContact O-N 3.49Å; P306-F308 VanDerWaalsContact O-N 3.16Å; F308-G310 VanDerWaalsContact C-N 3.29Å; F308-G310 PolarHBondContact O-N 3.4Å; F308-I323 HydrophobicContact CE1-CG2 4.5Å; F308-M327 HydrophobicContact CE1-CE 4.06Å; F308-M327 HydrophobicContact CE1-CG 4.3Å; F308-M327 HydrophobicContact CZ-CE 3.86Å; F308-R572 HydrophobicContact CE2-CB 4.46Å; F308-R572 HydrophobicContact CE2-CG 3.76Å; F308-R572 HydrophobicContact CZ-CB 4.23Å; F308-R572 HydrophobicContact CZ-CG 3.7Å; F308-L575 HydrophobicContact CD2-CD2 3.64Å; F308-L575 HydrophobicContact CE1-CD2 4.44Å; F308-L575 HydrophobicContact CE2-CB 4.33Å; F308-L575 HydrophobicContact CE2-CD2 3.26Å; F308-L575 HydrophobicContact CE2-CG 4.41Å; F308-L575 HydrophobicContact CG-CD2 4.4Å; F308-L575 HydrophobicContact CZ-CD2 3.7Å
309	G	42.4	Very low	59.9	Low	81 Å²	81	90.9 Å²	90.9	84%	0.835	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	20.1	145.5	0	0	0	0	0	121.1	K311	G309-K311 PolarHBondContact O-N 3.08Å
310	G	42	Very low	59	Low	66 Å²	66	91.5 Å²	91.5	68%	0.68	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	74	8.5	168	0	0	0	0	0	117.4	F308	F308-G310 VanDerWaalsContact C-N 3.29Å; F308-G310 PolarHBondContact O-N 3.4Å
311	K	42.7	Very low	58.1	Low	132 Å²	132	98.4 Å²	98.4	57%	0.574	52%	0.521	S	S	*	.	S	Bend	trans	-153.1	117.9	166.1	-110	166.7	-174.4	169.9	0	109.9	E46 G309 L313	E46-K311 IonicContact OE1-NZ 3.52Å; E46-K311 PolarHBondContact OE1-NZ 3.37Å; G309-K311 PolarHBondContact O-N 3.08Å; K311-L313 PolarHBondContact O-N 3.16Å
312	E	46.9	Very low	57.3	Low	151 Å²	151	99 Å²	99	71%	0.706	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-65.1	123	170.9	-90.6	-179.9	154.5	0	0	109.7	P303	P303-E312 HydrophobicContact CG-CG 4.33Å
313	L	41.6	Very low	56.6	Low	84 Å²	84	97.5 Å²	97.5	44%	0.44	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-83.2	135.5	164.7	-77.9	176.7	0	0	0	109.2	K311	K311-L313 PolarHBondContact O-N 3.16Å
314	R	44.4	Very low	56.2	Low	210 Å²	210	100.6 Å²	100.6	79%	0.792	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-55.3	144.4	163.7	-69.4	179.8	175.1	177.5	-2.2	109.3	E316	R314-E316 PolarHBondContact O-N 3.02Å
315	D	45.8	Very low	56.1	Low	114 Å²	114	104 Å²	104	61%	0.61	55%	0.548	S	S	*	.	S	Bend	trans	-62.8	15	-175.6	-86.7	-23.3	0	0	0	115.2	R413	D315-R413 IonicContact OD2-NH1 2.7Å; D315-R413 IonicContact OD2-NH2 3.15Å
316	E	39.6	Very low	56.1	Low	171 Å²	171	102 Å²	102	80%	0.799	54%	0.535	S	S	*	.	S	Bend	trans	-88.8	113.4	179.4	-67.1	-174	172.2	0	0	111.4	R314 Q318	R314-E316 PolarHBondContact O-N 3.02Å; E316-Q318 PolarHBondContact O-N 2.89Å
317	E	46.6	Very low	56.7	Low	183 Å²	183	99 Å²	99	86%	0.855	51%	0.514	S	S	*	.			trans	39.3	63.2	171.9	-62.9	-167.3	157.4	0	0	116.6	T319	E317-T319 PolarHBondContact O-N 2.79Å
318	Q	58.2	Low	57.7	Low	71 Å²	71	95.3 Å²	95.3	33%	0.332	51%	0.509	S	S	.	.			trans	-63	104.4	164.7	-62.5	174.5	-2.7	0	0	109.8	E316 Q579	E316-Q318 PolarHBondContact O-N 2.89Å; Q318-Q579 VanDerWaalsContact C-NE2 3.28Å; Q318-Q579 PolarHBondContact O-NE2 3.42Å
319	T	66.8	Low	59.3	Low	77 Å²	77	101.2 Å²	101.2	47%	0.472	54%	0.537	S	S	.	.			trans	-85.5	160.5	170.4	58.9	0	0	0	0	110.7	E317 E321 S322 I323 Q579	E317-T319 PolarHBondContact O-N 2.79Å; T319-E321 PolarHBondContact O-N 3.17Å; T319-S322 PolarHBondContact N-OG 2.96Å; T319-S322 PolarHBondContact O-N 3.28Å; T319-S322 PolarHBondContact O-OG 3.45Å; T319-S322 PolarHBondContact OG1-N 3.04Å; T319-I323 PolarHBondContact O-N 2.91Å; T319-Q579 VanDerWaalsContact C-NE2 3.27Å; T319-Q579 PolarHBondContact O-NE2 3.14Å
320	A	68.6	Low	61.3	Low	34 Å²	34	105.8 Å²	105.8	28%	0.281	53%	0.534	S	S	.	.	H	α-helix	trans	-58.6	-29.3	175.4	0	0	0	0	0	112.8	K324 F576 Q579	A320-K324 VanDerWaalsContact O-CB 3.25Å; A320-K324 WeakPolarHBondContact O-CB 3.41Å; A320-K324 PolarHBondContact O-N 3.28Å; A320-F576 HydrophobicContact CB-CE2 4.34Å; A320-Q579 VanDerWaalsContact CA-OE1 3.25Å
321	E	71.2	Confident	63.2	Low	160 Å²	160	105.1 Å²	105.1	75%	0.748	51%	0.513	S	S	*	.	H	α-helix	trans	-73.6	-37.7	178.5	-62.5	-177.1	170.8	0	0	112.4	T319 K324 S325	T319-E321 PolarHBondContact O-N 3.17Å; E321-K324 PolarHBondContact O-N 3.39Å; E321-S325 WeakPolarHBondContact O-CB 3.49Å; E321-S325 PolarHBondContact O-N 2.9Å; E321-S325 PolarHBondContact O-OG 2.97Å
322	S	72.6	Confident	65.2	Low	31 Å²	31	101.8 Å²	101.8	22%	0.217	50%	0.497	C	S	.	.	H	α-helix	trans	-67.4	-44.2	177.6	67.8	0	0	0	0	111.3	T319 K324 S325 Q326	T319-S322 PolarHBondContact N-OG 2.96Å; T319-S322 PolarHBondContact O-N 3.28Å; T319-S322 PolarHBondContact O-OG 3.45Å; T319-S322 PolarHBondContact OG1-N 3.04Å; S322-K324 PolarHBondContact O-N 2.88Å; S322-S325 PolarHBondContact O-N 3.27Å; S322-S325 PolarHBondContact O-OG 3.38Å; S322-Q326 WeakPolarHBondContact O-CG 3.31Å; S322-Q326 PolarHBondContact O-N 3.02Å
323	I	72.7	Confident	67.2	Low	4 Å²	4	101.2 Å²	101.2	2%	0.021	49%	0.494	C	S	.	.	H	α-helix	trans	-63.5	-43	174.7	-66.2	-163.1	0	0	0	111	F308 T319 S325 Q326 M327 L575 Q579	F308-I323 HydrophobicContact CE1-CG2 4.5Å; T319-I323 PolarHBondContact O-N 2.91Å; I323-S325 VanDerWaalsContact C-N 3.3Å; I323-S325 PolarHBondContact O-N 3.41Å; I323-Q326 PolarHBondContact O-N 3.48Å; I323-Q326 VanDerWaalsContact O-N 3.13Å; I323-M327 HydrophobicContact CG2-SD 4.37Å; I323-M327 WeakPolarHBondContact O-CG 3.32Å; I323-M327 PolarHBondContact O-N 2.99Å; I323-L575 HydrophobicContact CD1-CD2 4.02Å; I323-L575 HydrophobicContact CD1-CG 3.94Å; I323-Q579 HydrophobicContact CD1-CG 4.24Å; I323-Q579 VanDerWaalsContact CG1-NE2 3.27Å
324	K	73.8	Confident	69.4	Low	102 Å²	102	99.9 Å²	99.9	44%	0.443	49%	0.485	S	S	.	.	H	α-helix	trans	-59.8	-40.6	177.1	-177	178.4	177.7	-177.3	0	112.2	A320 E321 S322 Q326 M327 W332	A320-K324 VanDerWaalsContact O-CB 3.25Å; A320-K324 WeakPolarHBondContact O-CB 3.41Å; A320-K324 PolarHBondContact O-N 3.28Å; E321-K324 PolarHBondContact O-N 3.39Å; S322-K324 PolarHBondContact O-N 2.88Å; K324-Q326 PolarHBondContact O-N 3.15Å; K324-M327 PolarHBondContact O-N 2.92Å; K324-W332 HydrophobicContact CB-CZ3 4.41Å; K324-W332 HydrophobicContact CD-CD2 4.42Å; K324-W332 HydrophobicContact CD-CE3 4.46Å; K324-W332 HydrophobicContact CD-CH2 3.98Å; K324-W332 HydrophobicContact CD-CZ2 3.93Å; K324-W332 HydrophobicContact CD-CZ3 4.25Å; K324-W332 HydrophobicContact CG-CD2 4.12Å; K324-W332 HydrophobicContact CG-CE3 3.97Å; K324-W332 HydrophobicContact CG-CH2 4.32Å; K324-W332 HydrophobicContact CG-CZ2 4.46Å; K324-W332 HydrophobicContact CG-CZ3 4.08Å
325	S	72.9	Confident	71.4	Confident	98 Å²	98	90 Å²	90	69%	0.685	45%	0.448	S	S	*	.	H	α-helix	trans	-66.8	-20.8	179.1	72.1	0	0	0	0	114.1	E321 S322 I323	E321-S325 WeakPolarHBondContact O-CB 3.49Å; E321-S325 PolarHBondContact O-N 2.9Å; E321-S325 PolarHBondContact O-OG 2.97Å; S322-S325 PolarHBondContact O-N 3.27Å; S322-S325 PolarHBondContact O-OG 3.38Å; I323-S325 VanDerWaalsContact C-N 3.3Å; I323-S325 PolarHBondContact O-N 3.41Å
326	Q	68.1	Low	73.4	Confident	84 Å²	84	89.7 Å²	89.7	39%	0.393	44%	0.442	S	S	.	.	H	α-helix	trans	-92.7	-20.7	-180	-68.8	175.6	-17.6	0	0	113.3	S322 I323 K324	S322-Q326 WeakPolarHBondContact O-CG 3.31Å; S322-Q326 PolarHBondContact O-N 3.02Å; I323-Q326 PolarHBondContact O-N 3.48Å; I323-Q326 VanDerWaalsContact O-N 3.13Å; K324-Q326 PolarHBondContact O-N 3.15Å
327	M	69.9	Low	75.8	Confident	17 Å²	17	86.8 Å²	86.8	8%	0.084	43%	0.428	C	S	.	.	S	Bend	trans	-73.3	137.9	177.6	-74.4	-176.6	139	0	0	110.5	F308 I323 K324 E331 W332 V335 R572	F308-M327 HydrophobicContact CE1-CE 4.06Å; F308-M327 HydrophobicContact CE1-CG 4.3Å; F308-M327 HydrophobicContact CZ-CE 3.86Å; I323-M327 HydrophobicContact CG2-SD 4.37Å; I323-M327 WeakPolarHBondContact O-CG 3.32Å; I323-M327 PolarHBondContact O-N 2.99Å; K324-M327 PolarHBondContact O-N 2.92Å; M327-E331 HydrophobicContact CB-CB 4.47Å; M327-W332 HydrophobicContact CB-CB 4.48Å; M327-W332 HydrophobicContact SD-CE3 4.14Å; M327-V335 HydrophobicContact CE-CG2 3.95Å; M327-V335 HydrophobicContact SD-CG2 4.48Å; M327-R572 HydrophobicContact CE-CB 3.98Å; M327-R572 HydrophobicContact CE-CG 4.38Å
328	T	77.6	Confident	77.7	Confident	81 Å²	81	78.1 Å²	78.1	50%	0.497	39%	0.388	S	S	.	.			trans	-68	153.7	168.6	62.8	0	0	0	0	109.8	K330 E331 W332	T328-K330 PolarHBondContact O-N 3.47Å; T328-K330 VanDerWaalsContact O-N 3.15Å; T328-E331 PolarHBondContact N-OE2 3.29Å; T328-E331 WeakPolarHBondContact O-CB 3.46Å; T328-E331 PolarHBondContact O-N 3.15Å; T328-E331 WeakPolarHBondContact OG1-CG 3.41Å; T328-E331 PolarHBondContact OG1-OE2 2.63Å; T328-W332 PolarHBondContact O-N 3.5Å
329	E	80.8	Confident	79.1	Confident	175 Å²	175	76 Å²	76	82%	0.818	38%	0.38	S	S	*	.	H	α-helix	trans	-55.7	-37.6	-175.8	-67.9	-173.2	156	0	0	112.9	E331 W332 E333	E329-E331 VanDerWaalsContact C-N 3.35Å; E329-E331 PolarHBondContact O-N 3.06Å; E329-W332 PolarHBondContact O-N 2.92Å; E329-E333 WeakPolarHBondContact O-CB 3.49Å; E329-E333 PolarHBondContact O-N 2.58Å
330	K	84.2	Confident	80.1	Confident	176 Å²	176	78.3 Å²	78.3	77%	0.765	39%	0.386	S	S	*	.	H	α-helix	trans	-64.7	-38.4	177.5	-65.5	-177.7	180	177.5	0	112.7	T328 K334	T328-K330 PolarHBondContact O-N 3.47Å; T328-K330 VanDerWaalsContact O-N 3.15Å; K330-K334 PolarHBondContact O-N 2.62Å; K330-K334 VanDerWaalsContact O-N 3.14Å
331	E	82.9	Confident	81.1	Confident	52 Å²	52	78.6 Å²	78.6	24%	0.243	38%	0.382	C	S	.	.	H	α-helix	trans	-72	-41.1	179.9	-60.9	176.2	120.9	0	0	110.6	M327 T328 E329 K334 V335 R572	M327-E331 HydrophobicContact CB-CB 4.47Å; T328-E331 PolarHBondContact N-OE2 3.29Å; T328-E331 WeakPolarHBondContact O-CB 3.46Å; T328-E331 PolarHBondContact O-N 3.15Å; T328-E331 WeakPolarHBondContact OG1-CG 3.41Å; T328-E331 PolarHBondContact OG1-OE2 2.63Å; E329-E331 VanDerWaalsContact C-N 3.35Å; E329-E331 PolarHBondContact O-N 3.06Å; E331-K334 PolarHBondContact O-N 3.06Å; E331-V335 VanDerWaalsContact O-CG2 3.32Å; E331-V335 WeakPolarHBondContact O-CG2 3.49Å; E331-V335 PolarHBondContact O-N 3.01Å; E331-R572 IonicContact OE1-CZ 3.85Å; E331-R572 IonicContact OE1-NH1 3.5Å; E331-R572 PolarHBondContact OE1-NH1 3.39Å
332	W	85.2	Confident	81.7	Confident	63 Å²	63	80.1 Å²	80.1	24%	0.239	39%	0.387	C	S	.	.	H	α-helix	trans	-63.3	-44.4	175	177.9	-106.5	0	0	0	111.9	K324 M327 T328 E329 K334 V335 F336 F576	K324-W332 HydrophobicContact CB-CZ3 4.41Å; K324-W332 HydrophobicContact CD-CD2 4.42Å; K324-W332 HydrophobicContact CD-CE3 4.46Å; K324-W332 HydrophobicContact CD-CH2 3.98Å; K324-W332 HydrophobicContact CD-CZ2 3.93Å; K324-W332 HydrophobicContact CD-CZ3 4.25Å; K324-W332 HydrophobicContact CG-CD2 4.12Å; K324-W332 HydrophobicContact CG-CE3 3.97Å; K324-W332 HydrophobicContact CG-CH2 4.32Å; K324-W332 HydrophobicContact CG-CZ2 4.46Å; K324-W332 HydrophobicContact CG-CZ3 4.08Å; M327-W332 HydrophobicContact CB-CB 4.48Å; M327-W332 HydrophobicContact SD-CE3 4.14Å; T328-W332 PolarHBondContact O-N 3.5Å; E329-W332 PolarHBondContact O-N 2.92Å; W332-K334 VanDerWaalsContact C-N 3.27Å; W332-K334 PolarHBondContact O-N 3.26Å; W332-V335 HydrophobicContact CZ3-CG1 4.36Å; W332-V335 PolarHBondContact O-N 3.16Å; W332-F336 VanDerWaalsContact O-CB 3.31Å; W332-F336 WeakPolarHBondContact O-CB 3.47Å; W332-F336 PolarHBondContact O-N 3.04Å; W332-F576 HydrophobicContact CH2-CE1 4.25Å; W332-F576 AromaticContact CH2-CE2 3.94Å; W332-F576 HydrophobicContact CH2-CE2 3.94Å; W332-F576 AromaticContact CH2-CZ 3.56Å; W332-F576 HydrophobicContact CH2-CZ 3.56Å; W332-F576 HydrophobicContact CZ3-CD2 4.18Å; W332-F576 HydrophobicContact CZ3-CE1 4.15Å; W332-F576 AromaticContact CZ3-CE2 3.61Å; W332-F576 HydrophobicContact CZ3-CE2 3.61Å; W332-F576 AromaticContact CZ3-CZ 3.59Å; W332-F576 HydrophobicContact CZ3-CZ 3.59Å
333	E	88.1	Confident	82.5	Confident	138 Å²	138	83.8 Å²	83.8	65%	0.645	40%	0.404	S	S	*	.	H	α-helix	trans	-57.9	-42.2	176.2	-173.6	174.6	-160.4	0	0	111.1	E329 F336 E337	E329-E333 WeakPolarHBondContact O-CB 3.49Å; E329-E333 PolarHBondContact O-N 2.58Å; E333-F336 PolarHBondContact O-N 2.94Å; E333-E337 WeakPolarHBondContact O-CB 3.47Å; E333-E337 PolarHBondContact O-N 3.37Å
334	K	86.6	Confident	83.3	Confident	56 Å²	56	83.6 Å²	83.6	24%	0.243	40%	0.403	C	S	.	.	H	α-helix	trans	-68.1	-42.7	177.5	-167.4	63.9	-177.2	172.2	0	113	K330 E331 W332 F336 E337 M338	K330-K334 PolarHBondContact O-N 2.62Å; K330-K334 VanDerWaalsContact O-N 3.14Å; E331-K334 PolarHBondContact O-N 3.06Å; W332-K334 VanDerWaalsContact C-N 3.27Å; W332-K334 PolarHBondContact O-N 3.26Å; K334-F336 VanDerWaalsContact C-N 3.28Å; K334-F336 PolarHBondContact O-N 3.3Å; K334-E337 VanDerWaalsContact CD-OE2 3.32Å; K334-E337 WeakPolarHBondContact CD-OE2 3.38Å; K334-E337 IonicContact NZ-OE1 2.91Å; K334-E337 IonicContact NZ-OE2 2.85Å; K334-E337 PolarHBondContact NZ-OE2 3.37Å; K334-E337 PolarHBondContact O-N 3.03Å; K334-M338 HydrophobicContact CG-CE 4.34Å; K334-M338 WeakPolarHBondContact O-CG 3.36Å; K334-M338 PolarHBondContact O-N 2.65Å
335	V	86.4	Confident	84.1	Confident	4 Å²	4	79.9 Å²	79.9	2%	0.024	39%	0.386	C	S	.	.	H	α-helix	trans	-61.1	-40.7	174.8	167.5	0	0	0	0	110.9	M327 E331 W332 M338 S339 Y573 F576	M327-V335 HydrophobicContact CE-CG2 3.95Å; M327-V335 HydrophobicContact SD-CG2 4.48Å; E331-V335 VanDerWaalsContact O-CG2 3.32Å; E331-V335 WeakPolarHBondContact O-CG2 3.49Å; E331-V335 PolarHBondContact O-N 3.01Å; W332-V335 HydrophobicContact CZ3-CG1 4.36Å; W332-V335 PolarHBondContact O-N 3.16Å; V335-M338 HydrophobicContact CB-CE 4.46Å; V335-M338 HydrophobicContact CG2-CE 4.02Å; V335-M338 PolarHBondContact O-N 2.94Å; V335-S339 PolarHBondContact O-N 3.19Å; V335-Y573 HydrophobicContact CG1-CD2 4.06Å; V335-F576 HydrophobicContact CG1-CD1 3.71Å; V335-F576 HydrophobicContact CG1-CE1 4.15Å; V335-F576 HydrophobicContact CG1-CG 4.22Å
336	F	88.1	Confident	84.9	Confident	107 Å²	107	79.4 Å²	79.4	47%	0.469	37%	0.373	S	S	.	.	H	α-helix	trans	-65.5	-44.7	175.8	-173.7	-100.7	0	0	0	111.8	W332 E333 K334 M338 S339 Q340	W332-F336 VanDerWaalsContact O-CB 3.31Å; W332-F336 WeakPolarHBondContact O-CB 3.47Å; W332-F336 PolarHBondContact O-N 3.04Å; E333-F336 PolarHBondContact O-N 2.94Å; K334-F336 VanDerWaalsContact C-N 3.28Å; K334-F336 PolarHBondContact O-N 3.3Å; F336-M338 VanDerWaalsContact C-N 3.34Å; F336-M338 PolarHBondContact O-N 3.26Å; F336-S339 PolarHBondContact O-N 3.26Å; F336-S339 PolarHBondContact O-OG 3.39Å; F336-Q340 HydrophobicContact CD1-CG 4.46Å; F336-Q340 HydrophobicContact CE1-CG 4.06Å; F336-Q340 HydrophobicContact CZ-CG 4.13Å; F336-Q340 WeakPolarHBondContact O-CG 3.4Å; F336-Q340 PolarHBondContact O-N 3.02Å
337	E	90.1	Very high	86	Confident	110 Å²	110	76.8 Å²	76.8	51%	0.514	36%	0.362	S	S	.	.	H	α-helix	trans	-55.9	-47.6	173.6	-171.7	-171	-173.8	0	0	111.4	E333 K334 S339 Q340 D341	E333-E337 WeakPolarHBondContact O-CB 3.47Å; E333-E337 PolarHBondContact O-N 3.37Å; K334-E337 VanDerWaalsContact CD-OE2 3.32Å; K334-E337 WeakPolarHBondContact CD-OE2 3.38Å; K334-E337 IonicContact NZ-OE1 2.91Å; K334-E337 IonicContact NZ-OE2 2.85Å; K334-E337 PolarHBondContact NZ-OE2 3.37Å; K334-E337 PolarHBondContact O-N 3.03Å; E337-S339 VanDerWaalsContact C-N 3.32Å; E337-S339 PolarHBondContact O-N 3.04Å; E337-Q340 PolarHBondContact O-N 3.42Å; E337-D341 PolarHBondContact O-N 3.15Å
338	M	87.3	Confident	87	Confident	1 Å²	1	76 Å²	76	1%	0.005	36%	0.358	C	S	.	.	H	α-helix	trans	-59.8	-41.3	177.2	-72.7	-173.1	-70.5	0	0	112.1	K334 V335 F336 Q340 D341 L344 Y565 E569 Y573	K334-M338 HydrophobicContact CG-CE 4.34Å; K334-M338 WeakPolarHBondContact O-CG 3.36Å; K334-M338 PolarHBondContact O-N 2.65Å; V335-M338 HydrophobicContact CB-CE 4.46Å; V335-M338 HydrophobicContact CG2-CE 4.02Å; V335-M338 PolarHBondContact O-N 2.94Å; F336-M338 VanDerWaalsContact C-N 3.34Å; F336-M338 PolarHBondContact O-N 3.26Å; M338-Q340 VanDerWaalsContact C-N 3.27Å; M338-Q340 PolarHBondContact O-N 2.96Å; M338-D341 PolarHBondContact O-N 3.01Å; M338-L344 HydrophobicContact CB-CD1 4.28Å; M338-Y565 HydrophobicContact CG-CD1 4.01Å; M338-Y565 HydrophobicContact CG-CE1 3.62Å; M338-Y565 HydrophobicContact SD-CD1 3.86Å; M338-Y565 HydrophobicContact SD-CE1 4.11Å; M338-Y565 HydrophobicContact SD-CG 4.23Å; M338-E569 HydrophobicContact CE-CB 4.18Å; M338-E569 HydrophobicContact SD-CB 4.39Å; M338-Y573 HydrophobicContact CB-CD2 3.9Å; M338-Y573 HydrophobicContact CB-CE2 3.97Å; M338-Y573 HydrophobicContact CE-CD2 4Å; M338-Y573 HydrophobicContact CE-CG 4.27Å
339	S	87.3	Confident	87.6	Confident	25 Å²	25	72.3 Å²	72.3	18%	0.175	34%	0.335	C	S	.	.	H	α-helix	trans	-64.2	-28.9	179.3	76.2	0	0	0	0	113.9	V335 F336 E337	V335-S339 PolarHBondContact O-N 3.19Å; F336-S339 PolarHBondContact O-N 3.26Å; F336-S339 PolarHBondContact O-OG 3.39Å; E337-S339 VanDerWaalsContact C-N 3.32Å; E337-S339 PolarHBondContact O-N 3.04Å
340	Q	87.8	Confident	88	Confident	126 Å²	126	67.1 Å²	67.1	59%	0.589	32%	0.315	S	S	*	.	H	α-helix	trans	-87.2	-12.3	-178.7	-65.3	-61.7	-38.5	0	0	112.7	F336 E337 M338 K342	F336-Q340 HydrophobicContact CD1-CG 4.46Å; F336-Q340 HydrophobicContact CE1-CG 4.06Å; F336-Q340 HydrophobicContact CZ-CG 4.13Å; F336-Q340 WeakPolarHBondContact O-CG 3.4Å; F336-Q340 PolarHBondContact O-N 3.02Å; E337-Q340 PolarHBondContact O-N 3.42Å; M338-Q340 VanDerWaalsContact C-N 3.27Å; M338-Q340 PolarHBondContact O-N 2.96Å; Q340-K342 PolarHBondContact O-N 3.5Å
341	D	89.1	Confident	88.2	Confident	40 Å²	40	58.8 Å²	58.8	21%	0.214	28%	0.28	C	S	.	.			trans	-68.9	120.7	-179.2	-175.2	8.6	0	0	0	111.1	E337 M338 N343 L344 N347 Y565	E337-D341 PolarHBondContact O-N 3.15Å; M338-D341 PolarHBondContact O-N 3.01Å; D341-N343 VanDerWaalsContact C-N 3.27Å; D341-N343 PolarHBondContact O-N 3.5Å; D341-N343 PolarHBondContact OD1-N 3.46Å; D341-L344 HydrophobicContact CB-CB 4.3Å; D341-L344 WeakPolarHBondContact O-CB 3.45Å; D341-L344 PolarHBondContact O-N 3.4Å; D341-N347 PolarHBondContact OD2-ND2 3.16Å; D341-Y565 PolarHBondContact OD2-OH 3.3Å
342	K	85.1	Confident	88.4	Confident	192 Å²	192	56.9 Å²	56.9	84%	0.835	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-27.4	178.7	-65.8	-179.7	-177.7	174.3	0	112.3	Q340	Q340-K342 PolarHBondContact O-N 3.5Å
343	N	89.1	Confident	88.5	Confident	108 Å²	108	54 Å²	54	58%	0.578	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	15.2	-178.9	-69.8	-20.8	0	0	0	112.7	D341 Y345 H346 N347	D341-N343 VanDerWaalsContact C-N 3.27Å; D341-N343 PolarHBondContact O-N 3.5Å; D341-N343 PolarHBondContact OD1-N 3.46Å; N343-Y345 PolarHBondContact O-N 2.92Å; N343-Y345 VanDerWaalsContact O-N 3.14Å; N343-H346 PolarHBondContact O-N 2.69Å; N343-N347 PolarHBondContact O-N 2.87Å
344	L	89.8	Confident	88.4	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-48.6	-45.1	-178.3	-178.9	66.9	0	0	0	112.6	M338 D341 H346 N347 L348 Y565 Y573 M633	M338-L344 HydrophobicContact CB-CD1 4.28Å; D341-L344 HydrophobicContact CB-CB 4.3Å; D341-L344 WeakPolarHBondContact O-CB 3.45Å; D341-L344 PolarHBondContact O-N 3.4Å; L344-H346 VanDerWaalsContact C-N 3.32Å; L344-H346 PolarHBondContact O-N 3.32Å; L344-N347 PolarHBondContact O-N 2.67Å; L344-L348 HydrophobicContact CD1-CD1 3.78Å; L344-L348 HydrophobicContact CD1-CD2 4.05Å; L344-L348 HydrophobicContact CD1-CG 3.66Å; L344-L348 HydrophobicContact CD2-CD1 4.27Å; L344-L348 HydrophobicContact CG-CD1 3.71Å; L344-L348 HydrophobicContact CG-CG 3.99Å; L344-L348 WeakPolarHBondContact O-CB 3.49Å; L344-L348 VanDerWaalsContact O-CG 3.27Å; L344-L348 WeakPolarHBondContact O-CG 3.39Å; L344-L348 PolarHBondContact O-N 3.07Å; L344-Y565 HydrophobicContact CD1-CE2 4.25Å; L344-Y573 HydrophobicContact CD2-CE1 3.93Å; L344-Y573 VanDerWaalsContact CD2-OH 3.3Å; L344-Y573 WeakPolarHBondContact CD2-OH 3.35Å; L344-M633 HydrophobicContact CD2-CG 4.45Å
345	Y	89.9	Confident	88.3	Confident	24 Å²	24	47.7 Å²	47.7	9%	0.094	24%	0.236	C	C	.	.	H	α-helix	trans	-57.5	-41.8	-178.1	-174.7	-138	0	0	0	113.4	N343 C349 R364 L367 M630 M633 E646	N343-Y345 PolarHBondContact O-N 2.92Å; N343-Y345 VanDerWaalsContact O-N 3.14Å; Y345-C349 PolarHBondContact O-N 3.39Å; Y345-C349 PolarHBondContact O-SG 3.17Å; Y345-R364 HydrophobicContact CD1-CG 4.5Å; Y345-R364 HydrophobicContact CE1-CB 4.45Å; Y345-R364 HydrophobicContact CE1-CG 3.72Å; Y345-R364 HydrophobicContact CE2-CB 4.13Å; Y345-R364 HydrophobicContact CE2-CG 3.88Å; Y345-R364 VanDerWaalsContact CZ-CG 3.4Å; Y345-R364 VanDerWaalsContact OH-CB 3.27Å; Y345-R364 WeakPolarHBondContact OH-CB 3.24Å; Y345-R364 WeakPolarHBondContact OH-CG 3.33Å; Y345-L367 HydrophobicContact CD2-CD2 3.99Å; Y345-L367 HydrophobicContact CE2-CD2 4.02Å; Y345-M630 HydrophobicContact CD1-CE 4.01Å; Y345-M630 HydrophobicContact CD2-CE 4.31Å; Y345-M630 HydrophobicContact CE1-CE 3.96Å; Y345-M630 HydrophobicContact CE2-CE 4.26Å; Y345-M630 HydrophobicContact CE2-SD 4.18Å; Y345-M630 HydrophobicContact CG-CE 4.15Å; Y345-M633 HydrophobicContact CD2-CE 3.56Å; Y345-M633 HydrophobicContact CD2-SD 3.45Å; Y345-M633 WeakPolarHBondContact CD2-SD 3.47Å; Y345-M633 HydrophobicContact CE2-CE 4.29Å; Y345-M633 HydrophobicContact CE2-SD 4.16Å; Y345-M633 HydrophobicContact CG-CE 3.87Å; Y345-M633 HydrophobicContact CG-SD 4.24Å; Y345-E646 HydrophobicContact CE1-CG 4.41Å
346	H	90.6	Very high	88.2	Confident	89 Å²	89	48.3 Å²	48.3	41%	0.412	24%	0.239	S	C	.	.	H	α-helix	trans	-77.2	-44.2	177.9	-178.1	65.7	0	0	0	111.3	N343 L344 L348 C349 T350	N343-H346 PolarHBondContact O-N 2.69Å; L344-H346 VanDerWaalsContact C-N 3.32Å; L344-H346 PolarHBondContact O-N 3.32Å; H346-L348 VanDerWaalsContact C-N 3.32Å; H346-L348 PolarHBondContact O-N 3.07Å; H346-C349 WeakPolarHBondContact O-CB 3.32Å; H346-C349 PolarHBondContact O-N 3.13Å; H346-C349 VanDerWaalsContact O-N 3.14Å; H346-T350 PolarHBondContact O-N 3.28Å; H346-T350 PolarHBondContact O-OG1 3.39Å
347	N	90.5	Very high	88.1	Confident	28 Å²	28	48.2 Å²	48.2	15%	0.15	24%	0.24	C	C	.	.	H	α-helix	trans	-62.4	-38.4	-178.1	-68.2	-16.2	0	0	0	112	D341 N343 L344 S351 L564 Y565	D341-N347 PolarHBondContact OD2-ND2 3.16Å; N343-N347 PolarHBondContact O-N 2.87Å; L344-N347 PolarHBondContact O-N 2.67Å; N347-S351 VanDerWaalsContact O-CB 3.24Å; N347-S351 WeakPolarHBondContact O-CB 3.47Å; N347-S351 PolarHBondContact O-N 2.89Å; N347-S351 PolarHBondContact O-OG 2.77Å; N347-L564 HydrophobicContact CB-CD1 4.25Å; N347-Y565 HydrophobicContact CB-CD2 4.33Å; N347-Y565 HydrophobicContact CB-CE2 3.67Å
348	L	90.6	Very high	87.8	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-66	-42.2	173.7	-70.2	178.6	0	0	0	112.1	L344 H346 T350 S351 L352 L367 F371 Y565 I570 M633	L344-L348 HydrophobicContact CD1-CD1 3.78Å; L344-L348 HydrophobicContact CD1-CD2 4.05Å; L344-L348 HydrophobicContact CD1-CG 3.66Å; L344-L348 HydrophobicContact CD2-CD1 4.27Å; L344-L348 HydrophobicContact CG-CD1 3.71Å; L344-L348 HydrophobicContact CG-CG 3.99Å; L344-L348 WeakPolarHBondContact O-CB 3.49Å; L344-L348 VanDerWaalsContact O-CG 3.27Å; L344-L348 WeakPolarHBondContact O-CG 3.39Å; L344-L348 PolarHBondContact O-N 3.07Å; H346-L348 VanDerWaalsContact C-N 3.32Å; H346-L348 PolarHBondContact O-N 3.07Å; L348-T350 PolarHBondContact O-N 3Å; L348-S351 PolarHBondContact O-N 3.2Å; L348-L352 VanDerWaalsContact O-CB 3.23Å; L348-L352 WeakPolarHBondContact O-CB 3.24Å; L348-L352 PolarHBondContact O-N 2.88Å; L348-L367 HydrophobicContact CB-CD1 3.45Å; L348-L367 VanDerWaalsContact CB-CD1 3.45Å; L348-L367 HydrophobicContact CD1-CD1 4.15Å; L348-L367 HydrophobicContact CG-CD1 4.45Å; L348-F371 HydrophobicContact CD1-CE2 4.31Å; L348-F371 HydrophobicContact CD1-CZ 4.18Å; L348-Y565 HydrophobicContact CD2-CD2 4.09Å; L348-I570 HydrophobicContact CD2-CD1 4.37Å; L348-I570 HydrophobicContact CD2-CG1 3.96Å; L348-I570 HydrophobicContact CD2-CG2 4.1Å; L348-M633 HydrophobicContact CD1-CG 4.48Å
349	C	90.2	Very high	87.6	Confident	4 Å²	4	47.7 Å²	47.7	3%	0.027	25%	0.247	C	C	.	.	H	α-helix	trans	-61.6	-44.2	177.5	-70.1	0	0	0	0	111.8	Y345 H346 F353 K363	Y345-C349 PolarHBondContact O-N 3.39Å; Y345-C349 PolarHBondContact O-SG 3.17Å; H346-C349 WeakPolarHBondContact O-CB 3.32Å; H346-C349 PolarHBondContact O-N 3.13Å; H346-C349 VanDerWaalsContact O-N 3.14Å; C349-F353 PolarHBondContact O-N 2.77Å; C349-F353 VanDerWaalsContact O-N 3.11Å; C349-K363 HydrophobicContact CB-CB 4.23Å
350	T	88.5	Confident	87.6	Confident	65 Å²	65	50 Å²	50	40%	0.399	26%	0.257	S	S	.	.	H	α-helix	trans	-69.6	-36.9	179.5	-56	0	0	0	0	111.7	H346 L348 P354	H346-T350 PolarHBondContact O-N 3.28Å; H346-T350 PolarHBondContact O-OG1 3.39Å; L348-T350 PolarHBondContact O-N 3Å; T350-P354 WeakPolarHBondContact O-CA 3.41Å; T350-P354 WeakPolarHBondContact O-CB 3.33Å
351	S	88.8	Confident	87.7	Confident	2 Å²	2	45.6 Å²	45.6	1%	0.014	24%	0.237	C	C	.	.	H	α-helix	trans	-74.7	-34.2	179.4	-57	0	0	0	0	113	N347 L348	N347-S351 VanDerWaalsContact O-CB 3.24Å; N347-S351 WeakPolarHBondContact O-CB 3.47Å; N347-S351 PolarHBondContact O-N 2.89Å; N347-S351 PolarHBondContact O-OG 2.77Å; L348-S351 PolarHBondContact O-N 3.2Å
352	L	87.4	Confident	87.8	Confident	12 Å²	12	44 Å²	44	6%	0.063	23%	0.228	C	C	.	.	H	α-helix	trans	-76.1	-42.2	179	-172.3	65.7	0	0	0	112.2	L348 P354 L370 F410 L567	L348-L352 VanDerWaalsContact O-CB 3.23Å; L348-L352 WeakPolarHBondContact O-CB 3.24Å; L348-L352 PolarHBondContact O-N 2.88Å; L352-P354 WeakPolarHBondContact O-CD 3.38Å; L352-L370 HydrophobicContact CD2-CD1 3.87Å; L352-F410 HydrophobicContact CD1-CB 4.28Å; L352-F410 HydrophobicContact CD1-CD1 3.96Å; L352-F410 HydrophobicContact CD1-CD2 3.54Å; L352-F410 HydrophobicContact CD1-CE1 4.19Å; L352-F410 HydrophobicContact CD1-CE2 3.79Å; L352-F410 HydrophobicContact CD1-CG 3.64Å; L352-F410 HydrophobicContact CD1-CZ 4.12Å; L352-L567 HydrophobicContact CD1-CD2 4.24Å
353	F	87.7	Confident	88.2	Confident	2 Å²	2	35.4 Å²	35.4	1%	0.009	19%	0.191	C	C	.	.			trans	-120.1	69.7	-179.2	-55.7	-70.5	0	0	0	112.6	C349 I356 K363 I366 F403 H406 V407	C349-F353 PolarHBondContact O-N 2.77Å; C349-F353 VanDerWaalsContact O-N 3.11Å; F353-I356 HydrophobicContact CD1-CD1 4.15Å; F353-K363 HydrophobicContact CB-CD 3.97Å; F353-K363 HydrophobicContact CB-CG 4.28Å; F353-K363 HydrophobicContact CD2-CB 3.89Å; F353-K363 HydrophobicContact CD2-CD 4.12Å; F353-K363 HydrophobicContact CD2-CG 3.69Å; F353-K363 HydrophobicContact CE2-CB 4.27Å; F353-K363 HydrophobicContact CE2-CG 4.36Å; F353-K363 HydrophobicContact CG-CD 4.43Å; F353-K363 HydrophobicContact CG-CG 4.23Å; F353-K363 PolarHBondContact O-NZ 2.7Å; F353-I366 HydrophobicContact CE2-CG2 4.35Å; F353-I366 HydrophobicContact CZ-CB 4.43Å; F353-I366 HydrophobicContact CZ-CD1 4.31Å; F353-I366 HydrophobicContact CZ-CG2 3.9Å; F353-F403 HydrophobicContact CD1-CD1 4.02Å; F353-F403 HydrophobicContact CD1-CE1 4.24Å; F353-F403 AromaticContact CE1-CD1 3.87Å; F353-F403 HydrophobicContact CE1-CD1 3.87Å; F353-F403 HydrophobicContact CE1-CE1 4.45Å; F353-F403 HydrophobicContact CG-CE1 4.31Å; F353-F403 HydrophobicContact CZ-CD1 4.23Å; F353-H406 HydrophobicContact CD1-CB 4.25Å; F353-H406 HydrophobicContact CE1-CB 3.93Å; F353-V407 HydrophobicContact CZ-CG2 4.33Å
354	P	85.1	Confident	88.3	Confident	20 Å²	20	32.5 Å²	32.5	13%	0.13	17%	0.172	C	C	.	.	S	Bend	trans	-84.3	-23.3	-177.3	34.5	-38.5	0	0	0	113	T350 L352 R549 V561	T350-P354 WeakPolarHBondContact O-CA 3.41Å; T350-P354 WeakPolarHBondContact O-CB 3.33Å; L352-P354 WeakPolarHBondContact O-CD 3.38Å; P354-R549 VanDerWaalsContact O-CZ 3.29Å; P354-R549 PolarHBondContact O-NE 3.22Å; P354-R549 VanDerWaalsContact O-NE 3.1Å; P354-R549 PolarHBondContact O-NH2 3.3Å; P354-V561 HydrophobicContact CB-CG1 3.13Å; P354-V561 HydrophobicContact CG-CB 4.46Å; P354-V561 HydrophobicContact CG-CG1 3.29Å
355	T	84.3	Confident	88.4	Confident	41 Å²	41	32.5 Å²	32.5	25%	0.252	17%	0.172	S	C	.	.	S	Bend	trans	-77.3	-24.6	178.8	47.4	0	0	0	0	112.4	H406 L553	T355-H406 PolarHBondContact OG1-NE2 3.19Å; T355-H406 VanDerWaalsContact OG1-NE2 3.17Å; T355-L553 HydrophobicContact CG2-CD1 4.4Å
356	I	85.9	Confident	88.6	Confident	18 Å²	18	31.4 Å²	31.4	9%	0.092	17%	0.168	C	C	.	.			trans	-95	120.9	-175.4	-57	176.6	0	0	0	109.3	F353 K363 Q402 F403	F353-I356 HydrophobicContact CD1-CD1 4.15Å; I356-K363 PolarHBondContact O-NZ 2.79Å; I356-Q402 HydrophobicContact CD1-CB 4.32Å; I356-F403 HydrophobicContact CD1-CD1 3.61Å; I356-F403 HydrophobicContact CD1-CD2 4.43Å; I356-F403 HydrophobicContact CD1-CE1 3.54Å; I356-F403 HydrophobicContact CD1-CE2 4.38Å; I356-F403 HydrophobicContact CD1-CG 4.08Å; I356-F403 HydrophobicContact CD1-CZ 3.96Å; I356-F403 HydrophobicContact CG2-CE1 4.15Å; I356-F403 HydrophobicContact CG2-CE2 4.31Å; I356-F403 HydrophobicContact CG2-CZ 3.7Å
357	H	84.4	Confident	88.7	Confident	104 Å²	104	27.5 Å²	27.5	48%	0.481	15%	0.15	S	C	.	.			trans	-90.4	140.8	173.3	-179.4	-96.3	0	0	0	111
358	G	83.6	Confident	88.8	Confident	27 Å²	27	26.2 Å²	26.2	28%	0.278	14%	0.143	S	C	.	.	S	Bend	trans	80	-169.3	177.9	0	0	0	0	0	115.2	D360 K363	G358-D360 PolarHBondContact O-N 2.95Å; G358-K363 VanDerWaalsContact O-CE 3.31Å; G358-K363 WeakPolarHBondContact O-CE 3.4Å
359	N	83.6	Confident	88.9	Confident	74 Å²	74	26.5 Å²	26.5	40%	0.396	14%	0.144	S	C	.	.			trans	51.8	46.4	175.8	-63.3	-32.8	0	0	0	114.9	E361 V362 K363 L534	N359-E361 PolarHBondContact O-N 3.36Å; N359-V362 HydrophobicContact CB-CB 4.39Å; N359-V362 HydrophobicContact CB-CG2 4.12Å; N359-V362 WeakPolarHBondContact O-CB 3.39Å; N359-V362 PolarHBondContact O-N 2.76Å; N359-K363 PolarHBondContact O-N 2.93Å; N359-L534 HydrophobicContact CB-CD2 4.09Å; N359-L534 WeakPolarHBondContact ND2-CD2 3.26Å; N359-L534 WeakPolarHBondContact OD1-CD2 3.46Å
360	D	88.4	Confident	89	Confident	73 Å²	73	26.9 Å²	26.9	39%	0.39	15%	0.146	S	C	.	.	H	α-helix	trans	-59.8	-30.4	-176.8	-68.4	-26.8	0	0	0	113.6	G358 V362 K363 R364	G358-D360 PolarHBondContact O-N 2.95Å; D360-V362 VanDerWaalsContact C-N 3.32Å; D360-V362 PolarHBondContact O-N 3.42Å; D360-K363 PolarHBondContact O-N 2.78Å; D360-R364 WeakPolarHBondContact O-CB 3.46Å; D360-R364 WeakPolarHBondContact O-CG 3.44Å; D360-R364 PolarHBondContact O-N 2.82Å
361	E	89.2	Confident	89.1	Confident	34 Å²	34	24 Å²	24	16%	0.159	13%	0.128	C	C	.	.	H	α-helix	trans	-68.2	-33.5	178	-53.1	-61.3	-178.4	0	0	112	N359 R364 G365 F532 R649 L650 K653	N359-E361 PolarHBondContact O-N 3.36Å; E361-R364 IonicContact OE1-NH1 2.64Å; E361-R364 PolarHBondContact OE1-NH1 3.3Å; E361-R364 IonicContact OE2-NH1 3.59Å; E361-R364 PolarHBondContact OE2-NH1 3.49Å; E361-R364 VanDerWaalsContact OE2-NH1 3.07Å; E361-G365 PolarHBondContact O-N 2.86Å; E361-F532 HydrophobicContact CB-CE1 4.29Å; E361-F532 WeakPolarHBondContact O-CZ 3.45Å; E361-R649 IonicContact OE1-CZ 3.63Å; E361-R649 IonicContact OE1-NH1 3.44Å; E361-R649 PolarHBondContact OE1-NH1 3.23Å; E361-R649 IonicContact OE1-NH2 3.7Å; E361-R649 IonicContact OE2-CZ 3.56Å; E361-R649 IonicContact OE2-NH1 3.99Å; E361-R649 PolarHBondContact OE2-NH1 3.23Å; E361-R649 IonicContact OE2-NH2 3.5Å; E361-R649 PolarHBondContact OE2-NH2 3.01Å; E361-L650 HydrophobicContact CB-CD1 4.23Å; E361-K653 HydrophobicContact CG-CD 3.9Å; E361-K653 WeakPolarHBondContact OE1-CD 2.97Å; E361-K653 WeakPolarHBondContact OE1-CE 3.26Å; E361-K653 IonicContact OE1-NZ 2.94Å; E361-K653 PolarHBondContact OE1-NZ 3.33Å
362	V	91.7	Very high	89	Confident	5 Å²	5	24.2 Å²	24.2	3%	0.03	13%	0.13	C	C	.	.	H	α-helix	trans	-69.5	-45	175.8	-174.9	0	0	0	0	110.2	N359 D360 R364 G365 I366 I392 F403 F532 L534	N359-V362 HydrophobicContact CB-CB 4.39Å; N359-V362 HydrophobicContact CB-CG2 4.12Å; N359-V362 WeakPolarHBondContact O-CB 3.39Å; N359-V362 PolarHBondContact O-N 2.76Å; D360-V362 VanDerWaalsContact C-N 3.32Å; D360-V362 PolarHBondContact O-N 3.42Å; V362-R364 VanDerWaalsContact C-N 3.29Å; V362-R364 PolarHBondContact O-N 3.03Å; V362-G365 PolarHBondContact O-N 3.38Å; V362-G365 VanDerWaalsContact O-N 3.17Å; V362-I366 HydrophobicContact CG1-CD1 3.9Å; V362-I366 HydrophobicContact CG1-CG1 4.4Å; V362-I366 WeakPolarHBondContact O-CG1 3.33Å; V362-I366 PolarHBondContact O-N 3.05Å; V362-I392 HydrophobicContact CG1-CD1 3.82Å; V362-I392 HydrophobicContact CG1-CG1 4.19Å; V362-F403 HydrophobicContact CG1-CE2 4.36Å; V362-F403 HydrophobicContact CG1-CZ 4.4Å; V362-F532 HydrophobicContact CB-CD2 4.4Å; V362-F532 HydrophobicContact CB-CG 4.35Å; V362-F532 HydrophobicContact CG1-CD2 4.16Å; V362-F532 HydrophobicContact CG1-CG 4.43Å; V362-F532 HydrophobicContact CG2-CB 3.66Å; V362-F532 HydrophobicContact CG2-CD1 4.06Å; V362-F532 HydrophobicContact CG2-CD2 4.26Å; V362-F532 HydrophobicContact CG2-CG 3.74Å; V362-L534 HydrophobicContact CG2-CD2 3.83Å
363	K	92.4	Very high	89	Confident	12 Å²	12	23.7 Å²	23.7	5%	0.052	13%	0.128	C	C	.	.	H	α-helix	trans	-56.9	-45.5	176.4	-64.2	-179.6	-179.7	-177	0	111.5	C349 F353 I356 G358 N359 D360 I366 L367 F403	C349-K363 HydrophobicContact CB-CB 4.23Å; F353-K363 HydrophobicContact CB-CD 3.97Å; F353-K363 HydrophobicContact CB-CG 4.28Å; F353-K363 HydrophobicContact CD2-CB 3.89Å; F353-K363 HydrophobicContact CD2-CD 4.12Å; F353-K363 HydrophobicContact CD2-CG 3.69Å; F353-K363 HydrophobicContact CE2-CB 4.27Å; F353-K363 HydrophobicContact CE2-CG 4.36Å; F353-K363 HydrophobicContact CG-CD 4.43Å; F353-K363 HydrophobicContact CG-CG 4.23Å; F353-K363 PolarHBondContact O-NZ 2.7Å; I356-K363 PolarHBondContact O-NZ 2.79Å; G358-K363 VanDerWaalsContact O-CE 3.31Å; G358-K363 WeakPolarHBondContact O-CE 3.4Å; N359-K363 PolarHBondContact O-N 2.93Å; D360-K363 PolarHBondContact O-N 2.78Å; K363-I366 PolarHBondContact O-N 3.12Å; K363-L367 WeakPolarHBondContact O-CB 3.07Å; K363-L367 PolarHBondContact O-N 3.42Å; K363-F403 HydrophobicContact CG-CE1 3.99Å; K363-F403 HydrophobicContact CG-CZ 4.44Å
364	R	92	Very high	89.1	Confident	48 Å²	48	24.3 Å²	24.3	18%	0.181	13%	0.132	C	C	.	.	H	α-helix	trans	-60.1	-46.5	175	-79.6	176.3	-177.4	154	3.2	112.7	Y345 D360 E361 V362 L367 L368	Y345-R364 HydrophobicContact CD1-CG 4.5Å; Y345-R364 HydrophobicContact CE1-CB 4.45Å; Y345-R364 HydrophobicContact CE1-CG 3.72Å; Y345-R364 HydrophobicContact CE2-CB 4.13Å; Y345-R364 HydrophobicContact CE2-CG 3.88Å; Y345-R364 VanDerWaalsContact CZ-CG 3.4Å; Y345-R364 VanDerWaalsContact OH-CB 3.27Å; Y345-R364 WeakPolarHBondContact OH-CB 3.24Å; Y345-R364 WeakPolarHBondContact OH-CG 3.33Å; D360-R364 WeakPolarHBondContact O-CB 3.46Å; D360-R364 WeakPolarHBondContact O-CG 3.44Å; D360-R364 PolarHBondContact O-N 2.82Å; E361-R364 IonicContact OE1-NH1 2.64Å; E361-R364 PolarHBondContact OE1-NH1 3.3Å; E361-R364 IonicContact OE2-NH1 3.59Å; E361-R364 PolarHBondContact OE2-NH1 3.49Å; E361-R364 VanDerWaalsContact OE2-NH1 3.07Å; V362-R364 VanDerWaalsContact C-N 3.29Å; V362-R364 PolarHBondContact O-N 3.03Å; R364-L367 PolarHBondContact O-N 3.11Å; R364-L368 WeakPolarHBondContact O-CG 3.44Å; R364-L368 PolarHBondContact O-N 3.5Å
365	G	92	Very high	89.3	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-62.5	-43.7	177	0	0	0	0	0	113.3	E361 V362 L367 L368 M369	E361-G365 PolarHBondContact O-N 2.86Å; V362-G365 PolarHBondContact O-N 3.38Å; V362-G365 VanDerWaalsContact O-N 3.17Å; G365-L367 VanDerWaalsContact C-N 3.3Å; G365-L367 PolarHBondContact O-N 3.02Å; G365-L368 PolarHBondContact O-N 2.87Å; G365-M369 PolarHBondContact O-N 3.46Å
366	I	93.2	Very high	89.4	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-64	-37.5	175.7	-65.3	168.3	0	0	0	110.8	F353 V362 K363 M369 L370 I392 F403 V407 L498	F353-I366 HydrophobicContact CE2-CG2 4.35Å; F353-I366 HydrophobicContact CZ-CB 4.43Å; F353-I366 HydrophobicContact CZ-CD1 4.31Å; F353-I366 HydrophobicContact CZ-CG2 3.9Å; V362-I366 HydrophobicContact CG1-CD1 3.9Å; V362-I366 HydrophobicContact CG1-CG1 4.4Å; V362-I366 WeakPolarHBondContact O-CG1 3.33Å; V362-I366 PolarHBondContact O-N 3.05Å; K363-I366 PolarHBondContact O-N 3.12Å; I366-M369 HydrophobicContact CG2-CE 4.16Å; I366-M369 VanDerWaalsContact O-CB 3.31Å; I366-M369 WeakPolarHBondContact O-CB 3.41Å; I366-M369 PolarHBondContact O-N 3.27Å; I366-L370 HydrophobicContact CG2-CD1 4.41Å; I366-L370 WeakPolarHBondContact O-CG 3.27Å; I366-L370 PolarHBondContact O-N 3.02Å; I366-I392 HydrophobicContact CD1-CD1 4.21Å; I366-F403 HydrophobicContact CD1-CB 4Å; I366-F403 HydrophobicContact CD1-CD1 3.71Å; I366-F403 HydrophobicContact CD1-CE1 4.38Å; I366-F403 HydrophobicContact CD1-CG 3.98Å; I366-V407 HydrophobicContact CG2-CG2 3.56Å; I366-L498 HydrophobicContact CG1-CD1 4.32Å
367	L	92.8	Very high	89.4	Confident	7 Å²	7	34.4 Å²	34.4	4%	0.037	19%	0.189	C	C	.	.	H	α-helix	trans	-64.2	-44.1	176.6	-177.1	139.9	0	0	0	111.7	Y345 L348 K363 R364 G365 M369 L370 F371 M633	Y345-L367 HydrophobicContact CD2-CD2 3.99Å; Y345-L367 HydrophobicContact CE2-CD2 4.02Å; L348-L367 HydrophobicContact CB-CD1 3.45Å; L348-L367 VanDerWaalsContact CB-CD1 3.45Å; L348-L367 HydrophobicContact CD1-CD1 4.15Å; L348-L367 HydrophobicContact CG-CD1 4.45Å; K363-L367 WeakPolarHBondContact O-CB 3.07Å; K363-L367 PolarHBondContact O-N 3.42Å; R364-L367 PolarHBondContact O-N 3.11Å; G365-L367 VanDerWaalsContact C-N 3.3Å; G365-L367 PolarHBondContact O-N 3.02Å; L367-M369 VanDerWaalsContact C-N 3.28Å; L367-M369 PolarHBondContact O-N 3.33Å; L367-L370 WeakPolarHBondContact O-CB 3.4Å; L367-L370 PolarHBondContact O-N 2.9Å; L367-L370 VanDerWaalsContact O-N 3.14Å; L367-F371 HydrophobicContact CD1-CE2 4.5Å; L367-F371 HydrophobicContact CD2-CD2 3.81Å; L367-F371 HydrophobicContact CD2-CE2 3.6Å; L367-F371 HydrophobicContact CG-CD2 4.17Å; L367-F371 HydrophobicContact CG-CE2 3.87Å; L367-F371 VanDerWaalsContact O-CD2 3.27Å; L367-F371 WeakPolarHBondContact O-CD2 3.42Å; L367-F371 PolarHBondContact O-N 3.21Å; L367-M633 HydrophobicContact CD2-CG 4.42Å; L367-M633 HydrophobicContact CD2-SD 3.41Å; L367-M633 WeakPolarHBondContact CD2-SD 3.5Å
368	L	92.9	Very high	89.5	Confident	2 Å²	2	31.7 Å²	31.7	1%	0.01	18%	0.179	C	C	.	.	H	α-helix	trans	-62.8	-35.1	174.1	-67	177.4	0	0	0	112.7	R364 G365 L370 F371 G372 L626 A629 M630 L650	R364-L368 WeakPolarHBondContact O-CG 3.44Å; R364-L368 PolarHBondContact O-N 3.5Å; G365-L368 PolarHBondContact O-N 2.87Å; L368-L370 VanDerWaalsContact C-N 3.33Å; L368-F371 PolarHBondContact O-N 2.77Å; L368-G372 PolarHBondContact O-N 2.89Å; L368-L626 HydrophobicContact CB-CD2 4.26Å; L368-L626 HydrophobicContact CD1-CD2 3.98Å; L368-A629 HydrophobicContact CD2-CB 4.34Å; L368-M630 HydrophobicContact CD2-CB 4.18Å; L368-M630 HydrophobicContact CD2-SD 3.74Å; L368-L650 HydrophobicContact CD1-CD2 3.68Å
369	M	93.3	Very high	89.4	Confident	6 Å²	6	40 Å²	40	3%	0.03	21%	0.214	C	C	.	.	H	α-helix	trans	-61.4	-41	173.2	-175.7	-164.5	77.5	0	0	111.8	G365 I366 L367 G372 V390 V407 V454 S496 L498	G365-M369 PolarHBondContact O-N 3.46Å; I366-M369 HydrophobicContact CG2-CE 4.16Å; I366-M369 VanDerWaalsContact O-CB 3.31Å; I366-M369 WeakPolarHBondContact O-CB 3.41Å; I366-M369 PolarHBondContact O-N 3.27Å; L367-M369 VanDerWaalsContact C-N 3.28Å; L367-M369 PolarHBondContact O-N 3.33Å; M369-G372 PolarHBondContact O-N 2.94Å; M369-V390 HydrophobicContact CB-CG2 3.9Å; M369-V390 HydrophobicContact CG-CG2 4.08Å; M369-V390 HydrophobicContact SD-CB 4.1Å; M369-V390 HydrophobicContact SD-CG2 3.96Å; M369-V407 HydrophobicContact CE-CG1 4.25Å; M369-V454 HydrophobicContact CE-CG1 3.68Å; M369-V454 HydrophobicContact CE-CG2 4.15Å; M369-V454 HydrophobicContact SD-CG1 4.44Å; M369-S496 WeakPolarHBondContact CG-OG 3.36Å; M369-L498 HydrophobicContact CE-CB 4.12Å; M369-L498 HydrophobicContact CE-CD2 4.25Å; M369-L498 HydrophobicContact SD-CB 3.88Å; M369-L498 HydrophobicContact SD-CD1 4.13Å; M369-L498 HydrophobicContact SD-CG 4.47Å
370	L	91.6	Very high	89.4	Confident	12 Å²	12	44.9 Å²	44.9	6%	0.063	23%	0.234	C	C	.	.	H	α-helix	trans	-68.5	-33.6	178.8	-74.5	172.7	0	0	0	113.6	L352 I366 L367 L368 V407 F410 V454 L574	L352-L370 HydrophobicContact CD2-CD1 3.87Å; I366-L370 HydrophobicContact CG2-CD1 4.41Å; I366-L370 WeakPolarHBondContact O-CG 3.27Å; I366-L370 PolarHBondContact O-N 3.02Å; L367-L370 WeakPolarHBondContact O-CB 3.4Å; L367-L370 PolarHBondContact O-N 2.9Å; L367-L370 VanDerWaalsContact O-N 3.14Å; L368-L370 VanDerWaalsContact C-N 3.33Å; L370-V407 HydrophobicContact CD2-CG1 4.32Å; L370-F410 HydrophobicContact CD1-CD1 3.94Å; L370-F410 HydrophobicContact CD1-CE1 3.93Å; L370-F410 HydrophobicContact CD2-CD1 4.43Å; L370-V454 HydrophobicContact CD2-CG2 4.18Å; L370-L574 HydrophobicContact CB-CD1 3.87Å
371	F	90.8	Very high	88.9	Confident	5 Å²	5	44.7 Å²	44.7	2%	0.022	25%	0.249	C	C	.	.	H	α-helix	trans	-74.7	-37.4	173.3	-78.4	-77.1	0	0	0	112.4	L348 L367 L368 Y573 A577 R578 M633	L348-F371 HydrophobicContact CD1-CE2 4.31Å; L348-F371 HydrophobicContact CD1-CZ 4.18Å; L367-F371 HydrophobicContact CD1-CE2 4.5Å; L367-F371 HydrophobicContact CD2-CD2 3.81Å; L367-F371 HydrophobicContact CD2-CE2 3.6Å; L367-F371 HydrophobicContact CG-CD2 4.17Å; L367-F371 HydrophobicContact CG-CE2 3.87Å; L367-F371 VanDerWaalsContact O-CD2 3.27Å; L367-F371 WeakPolarHBondContact O-CD2 3.42Å; L367-F371 PolarHBondContact O-N 3.21Å; L368-F371 PolarHBondContact O-N 2.77Å; F371-Y573 HydrophobicContact CE1-CD1 4.14Å; F371-Y573 HydrophobicContact CE1-CE1 4.04Å; F371-Y573 HydrophobicContact CZ-CD1 4.04Å; F371-Y573 AromaticContact CZ-CE1 3.97Å; F371-Y573 HydrophobicContact CZ-CE1 3.97Å; F371-A577 HydrophobicContact CD1-CB 3.85Å; F371-A577 HydrophobicContact CE1-CB 3.53Å; F371-R578 WeakPolarHBondContact O-CG 3.42Å; F371-M633 HydrophobicContact CD1-CB 4.36Å; F371-M633 HydrophobicContact CD2-CB 4Å; F371-M633 HydrophobicContact CD2-CG 4.19Å; F371-M633 HydrophobicContact CE1-CB 4.28Å; F371-M633 HydrophobicContact CE1-CG 4.44Å; F371-M633 HydrophobicContact CE2-CB 3.95Å; F371-M633 HydrophobicContact CE2-CG 3.66Å; F371-M633 HydrophobicContact CE2-SD 4.28Å; F371-M633 HydrophobicContact CG-CB 4.23Å; F371-M633 HydrophobicContact CZ-CB 4.08Å; F371-M633 HydrophobicContact CZ-CG 3.8Å
372	G	87	Confident	88.7	Confident	6 Å²	6	46.7 Å²	46.7	6%	0.062	26%	0.264	C	S	.	.			trans	67.6	156.7	179.3	0	0	0	0	0	114.2	L368 M369 R632	L368-G372 PolarHBondContact O-N 2.89Å; M369-G372 PolarHBondContact O-N 2.94Å; G372-R632 VanDerWaalsContact O-CD 3.26Å; G372-R632 WeakPolarHBondContact O-CD 3.35Å; G372-R632 PolarHBondContact O-NH1 2.93Å
373	G	88	Confident	88.2	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.01	29%	0.286	C	S	.	.			trans	-89.4	-177.1	176.2	0	0	0	0	0	113.3	P375 G386 R632	G373-P375 WeakPolarHBondContact O-CD 3.31Å; G373-G386 CarbonylContact C-O 3.54Å; G373-G386 WeakPolarHBondContact CA-O 3.47Å; G373-G386 PolarHBondContact N-O 3.01Å; G373-R632 PolarHBondContact O-NH1 3.01Å
374	V	89.6	Confident	87.9	Confident	15 Å²	15	53.4 Å²	53.4	9%	0.091	31%	0.305	C	S	.	.			trans	-86.6	117.8	-174.7	-175.6	0	0	0	0	110.6	K376 K581 P582 E628	V374-K376 HydrophobicContact CG1-CG 4.27Å; V374-K581 HydrophobicContact CG1-CB 4.44Å; V374-K581 HydrophobicContact CG1-CG 4.45Å; V374-P582 HydrophobicContact CG2-CG 4.04Å; V374-E628 WeakPolarHBondContact CB-OE2 3.33Å; V374-E628 HydrophobicContact CG2-CB 4.28Å; V374-E628 HydrophobicContact CG2-CG 4.41Å; V374-E628 PolarHBondContact N-OE2 2.97Å
375	P	87.9	Confident	87.7	Confident	84 Å²	84	52.1 Å²	52.1	55%	0.545	30%	0.3	S	S	.	.			trans	-69.8	132.2	170	29.5	-33.2	0	0	0	109.5	G373	G373-P375 WeakPolarHBondContact O-CD 3.31Å
376	K	87	Confident	87.4	Confident	82 Å²	82	52.1 Å²	52.1	36%	0.357	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	138.6	-176.9	-68.1	169.2	-174.1	165.7	0	110	V374 L384 E628	V374-K376 HydrophobicContact CG1-CG 4.27Å; K376-L384 HydrophobicContact CB-CB 4.22Å; K376-L384 HydrophobicContact CB-CD1 4.28Å; K376-L384 PolarHBondContact N-O 3.02Å; K376-L384 PolarHBondContact O-N 3.12Å; K376-E628 WeakPolarHBondContact CE-OE1 2.91Å; K376-E628 IonicContact NZ-OE1 3.32Å; K376-E628 PolarHBondContact NZ-OE1 3.37Å
377	T	85.1	Confident	87.2	Confident	125 Å²	125	53.6 Å²	53.6	77%	0.767	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.8	125.2	170	49.7	0	0	0	0	108.7
378	T	87.1	Confident	87.2	Confident	47 Å²	47	53.2 Å²	53.2	29%	0.288	31%	0.306	S	S	.	.			trans	-75.3	164.5	176.3	68	0	0	0	0	110.8	E380 G381 T382 L384	T378-E380 PolarHBondContact O-N 3.48Å; T378-E380 PolarHBondContact OG1-N 3.03Å; T378-G381 PolarHBondContact O-N 3.35Å; T378-G381 VanDerWaalsContact O-N 3.1Å; T378-T382 PolarHBondContact N-O 3.39Å; T378-T382 PolarHBondContact OG1-N 3.47Å; T378-T382 PolarHBondContact OG1-O 2.85Å; T378-T382 PolarHBondContact OG1-OG1 3.34Å; T378-L384 HydrophobicContact CG2-CD1 3.97Å; T378-L384 HydrophobicContact CG2-CG 4.03Å
379	M	82.1	Confident	87.2	Confident	202 Å²	202	53.3 Å²	53.3	100%	0.995	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-21.6	174.7	-63.2	-67.2	167.8	0	0	112.9	G381	M379-G381 VanDerWaalsContact C-N 3.29Å
380	E	82.7	Confident	87.2	Confident	177 Å²	177	53 Å²	53	83%	0.827	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	1	179.3	-60.8	-176.1	163.4	0	0	112.8	T378 T382	T378-E380 PolarHBondContact O-N 3.48Å; T378-E380 PolarHBondContact OG1-N 3.03Å; E380-T382 VanDerWaalsContact C-N 3.34Å
381	G	79.1	Confident	87.2	Confident	68 Å²	68	52.4 Å²	52.4	70%	0.701	30%	0.302	S	S	*	.	S	Bend	trans	81.6	8.4	179.8	0	0	0	0	0	114.5	T378 M379	T378-G381 PolarHBondContact O-N 3.35Å; T378-G381 VanDerWaalsContact O-N 3.1Å; M379-G381 VanDerWaalsContact C-N 3.29Å
382	T	83.3	Confident	87.3	Confident	76 Å²	76	52.2 Å²	52.2	47%	0.466	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-83.4	133.5	172.2	59.4	0	0	0	0	110.8	T378 E380	T378-T382 PolarHBondContact N-O 3.39Å; T378-T382 PolarHBondContact OG1-N 3.47Å; T378-T382 PolarHBondContact OG1-O 2.85Å; T378-T382 PolarHBondContact OG1-OG1 3.34Å; E380-T382 VanDerWaalsContact C-N 3.34Å
383	S	82.6	Confident	87.5	Confident	73 Å²	73	51.9 Å²	51.9	51%	0.51	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	121.7	175.1	54.3	0	0	0	0	110.6
384	L	85.4	Confident	87.6	Confident	85 Å²	85	51.9 Å²	51.9	45%	0.445	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	125.8	168.6	-62.9	173.3	0	0	0	109.3	K376 T378 G386	K376-L384 HydrophobicContact CB-CB 4.22Å; K376-L384 HydrophobicContact CB-CD1 4.28Å; K376-L384 PolarHBondContact N-O 3.02Å; K376-L384 PolarHBondContact O-N 3.12Å; T378-L384 HydrophobicContact CG2-CD1 3.97Å; T378-L384 HydrophobicContact CG2-CG 4.03Å; L384-G386 PolarHBondContact O-N 3.39Å
385	R	88.4	Confident	87.6	Confident	22 Å²	22	51.5 Å²	51.5	8%	0.083	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-58.8	130.6	175.9	177.5	176.1	107.6	-157.9	1.1	110.9	D387 N389 M475 Q478 R527 D529 R625	R385-D387 HydrophobicContact CG-CB 4.37Å; R385-D387 PolarHBondContact NE-O 3.28Å; R385-N389 PolarHBondContact NH1-ND2 3.36Å; R385-N389 VanDerWaalsContact NH1-ND2 3.15Å; R385-N389 PolarHBondContact NH2-ND2 3.29Å; R385-M475 PolarHBondContact NH1-O 2.89Å; R385-M475 VanDerWaalsContact NH1-O 3.09Å; R385-Q478 HydrophobicContact CB-CG 4.38Å; R385-Q478 HydrophobicContact CG-CG 4.34Å; R385-R527 PolarHBondContact NH1-O 3.38Å; R385-R527 PolarHBondContact NH2-O 3.43Å; R385-R527 VanDerWaalsContact NH2-O 3.15Å; R385-D529 IonicContact CZ-OD2 2.92Å; R385-D529 IonicContact NH2-OD1 3.07Å; R385-D529 PolarHBondContact NH2-OD1 3.14Å; R385-D529 IonicContact NH2-OD2 3.98Å; R385-D529 PolarHBondContact NH2-OD2 3.45Å; R385-R625 VanDerWaalsContact NH2-NH1 3.11Å; R385-R625 PolarHBondContact O-NE 3.44Å; R385-R625 PolarHBondContact O-NH2 3.18Å
386	G	85.2	Confident	87.6	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	29%	0.291	C	S	.	.			trans	-96.3	-23.2	170.1	0	0	0	0	0	113.5	G373 L384	G373-G386 CarbonylContact C-O 3.54Å; G373-G386 WeakPolarHBondContact CA-O 3.47Å; G373-G386 PolarHBondContact N-O 3.01Å; L384-G386 PolarHBondContact O-N 3.39Å
387	D	89.8	Confident	87.5	Confident	30 Å²	30	53.1 Å²	53.1	16%	0.16	32%	0.317	C	S	.	.			trans	-76.2	143.3	-172.9	-51.6	-51.9	0	0	0	112.5	R385 Q478	R385-D387 HydrophobicContact CG-CB 4.37Å; R385-D387 PolarHBondContact NE-O 3.28Å; D387-Q478 PolarHBondContact OD2-NE2 2.83Å
388	V	91.4	Very high	87.5	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	29%	0.287	C	S	.	.			trans	-97	134.4	178	178.3	0	0	0	0	108.7	V390 S496 D529 R625 L626	V388-V390 HydrophobicContact CG1-CG2 4.31Å; V388-S496 PolarHBondContact O-OG 3.01Å; V388-D529 WeakPolarHBondContact CA-OD2 3.2Å; V388-D529 HydrophobicContact CG1-CB 4.01Å; V388-R625 HydrophobicContact CG2-CB 3.97Å; V388-L626 HydrophobicContact CG1-CD2 3.85Å; V388-L626 HydrophobicContact CG2-CD2 4.18Å
389	N	93	Very high	87.5	Confident	3 Å²	3	47.9 Å²	47.9	2%	0.016	29%	0.289	C	S	.	.			trans	-106.8	134.2	175.4	-67.5	-34.3	0	0	0	110.8	R385 M475 I497 R527 F528 D529 L530	R385-N389 PolarHBondContact NH1-ND2 3.36Å; R385-N389 VanDerWaalsContact NH1-ND2 3.15Å; R385-N389 PolarHBondContact NH2-ND2 3.29Å; N389-M475 HydrophobicContact CB-CE 4.11Å; N389-M475 VanDerWaalsContact ND2-CE 3.32Å; N389-M475 WeakPolarHBondContact ND2-CE 3.46Å; N389-I497 PolarHBondContact OD1-N 3.15Å; N389-R527 PolarHBondContact ND2-O 2.94Å; N389-F528 HydrophobicContact CB-CD1 3.77Å; N389-F528 HydrophobicContact CB-CE1 4.24Å; N389-D529 PolarHBondContact N-OD2 3.37Å; N389-D529 PolarHBondContact O-N 3.19Å; N389-L530 PolarHBondContact O-N 3.05Å
390	V	93.5	Very high	87.9	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	132.9	-176.3	-178.4	0	0	0	0	110.1	M369 V388 I497 L498 A499 L530 F532	M369-V390 HydrophobicContact CB-CG2 3.9Å; M369-V390 HydrophobicContact CG-CG2 4.08Å; M369-V390 HydrophobicContact SD-CB 4.1Å; M369-V390 HydrophobicContact SD-CG2 3.96Å; V388-V390 HydrophobicContact CG1-CG2 4.31Å; V390-I497 PolarHBondContact N-O 3.38Å; V390-L498 HydrophobicContact CB-CD1 3.97Å; V390-L498 HydrophobicContact CG1-CD1 4.02Å; V390-L498 WeakPolarHBondContact O-CA 3.38Å; V390-A499 PolarHBondContact O-N 3.11Å; V390-L530 HydrophobicContact CG2-CB 4.37Å; V390-L530 HydrophobicContact CG2-CD1 4.33Å; V390-F532 HydrophobicContact CG1-CD2 3.73Å; V390-F532 HydrophobicContact CG1-CE2 3.76Å
391	C	92.6	Very high	88.3	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	130	174	-174.9	0	0	0	0	110.5	A499 F528 L530 F531 F532	C391-A499 WeakPolarHBondContact CA-O 3.32Å; C391-A499 HydrophobicContact CB-CB 4.5Å; C391-F528 HydrophobicContact CB-CB 4.4Å; C391-F528 HydrophobicContact CB-CD1 3.68Å; C391-F528 HydrophobicContact CB-CD2 4.37Å; C391-F528 HydrophobicContact CB-CE1 3.97Å; C391-F528 HydrophobicContact CB-CG 3.9Å; C391-F528 HydrophobicContact CB-CZ 4.43Å; C391-L530 PolarHBondContact N-O 3.19Å; C391-F531 HydrophobicContact CB-CD1 3.79Å; C391-F531 HydrophobicContact CB-CE1 3.71Å; C391-F531 HydrophobicContact CB-CZ 4.46Å; C391-F531 WeakPolarHBondContact O-CA 3.23Å; C391-F532 PolarHBondContact O-N 2.86Å
392	I	93.1	Very high	88.9	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	120.3	176	-51.3	173.3	0	0	0	108.1	V362 I366 K400 F403 L498 A499 A500 A501 F532 L534	V362-I392 HydrophobicContact CG1-CD1 3.82Å; V362-I392 HydrophobicContact CG1-CG1 4.19Å; I366-I392 HydrophobicContact CD1-CD1 4.21Å; I392-K400 HydrophobicContact CG2-CD 4.06Å; I392-K400 HydrophobicContact CG2-CG 3.84Å; I392-F403 HydrophobicContact CD1-CB 4.32Å; I392-F403 HydrophobicContact CD1-CD2 4.41Å; I392-L498 HydrophobicContact CD1-CD1 4.13Å; I392-L498 HydrophobicContact CG1-CD1 4.41Å; I392-A499 PolarHBondContact N-O 3.42Å; I392-A500 CarbonylContact O-C 3.58Å; I392-A500 WeakPolarHBondContact O-CA 3.43Å; I392-A501 PolarHBondContact O-N 3.48Å; I392-F532 WeakPolarHBondContact CA-O 3.45Å; I392-L534 HydrophobicContact CG2-CD1 3.73Å; I392-L534 HydrophobicContact CG2-CG 4.12Å
393	V	91.1	Very high	89.3	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	142.6	175.7	-173.9	0	0	0	0	106.9	A501 I518 F531 F532 I533 L534	V393-A501 WeakPolarHBondContact CA-O 3.17Å; V393-A501 HydrophobicContact CG2-CB 4.34Å; V393-I518 HydrophobicContact CB-CD1 4.22Å; V393-I518 HydrophobicContact CG1-CD1 3.73Å; V393-I518 HydrophobicContact CG1-CG1 4.09Å; V393-I518 HydrophobicContact CG2-CD1 3.55Å; V393-F531 HydrophobicContact CG2-CD1 4.49Å; V393-F532 PolarHBondContact N-O 2.75Å; V393-I533 HydrophobicContact CB-CG1 4.39Å; V393-I533 CarbonylContact O-C 3.56Å; V393-I533 VanDerWaalsContact O-CA 3.24Å; V393-I533 WeakPolarHBondContact O-CA 3.45Å; V393-L534 PolarHBondContact O-N 3.23Å
394	G	90.3	Very high	89.8	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.2	-179	171.5	0	0	0	0	0	113.6	K400 A501 P503 L534	G394-K400 PolarHBondContact O-NZ 2.88Å; G394-A501 PolarHBondContact N-O 3.3Å; G394-P503 WeakPolarHBondContact O-CD 3.48Å; G394-L534 CarbonylContact C-O 3.5Å; G394-L534 WeakPolarHBondContact CA-O 2.97Å
395	D	89.5	Confident	90.1	Very high	7 Å²	7	27.3 Å²	27.3	4%	0.037	16%	0.16	C	C	.	.			trans	-68	159.4	176.5	-58.9	-35.4	0	0	0	110.9	T398 K400 R507 Y508 L534 D536	D395-T398 HydrophobicContact CB-CG2 4.14Å; D395-T398 WeakPolarHBondContact O-CG2 3.47Å; D395-T398 PolarHBondContact O-OG1 3.49Å; D395-K400 WeakPolarHBondContact O-CE 3.45Å; D395-R507 VanDerWaalsContact OD1-CA 3.26Å; D395-R507 WeakPolarHBondContact OD1-CA 3.42Å; D395-Y508 PolarHBondContact OD1-N 3.41Å; D395-L534 PolarHBondContact N-O 3.29Å; D395-D536 HydrophobicContact CB-CB 3.96Å; D395-D536 PolarHBondContact OD2-N 3.16Å
396	P	87.6	Confident	90.2	Very high	71 Å²	71	28.6 Å²	28.6	46%	0.461	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	153.7	168.9	-27.2	33.8	0	0	0	111.7	T398 G506	P396-T398 PolarHBondContact O-N 3.04Å; P396-T398 VanDerWaalsContact O-N 3.13Å; P396-G506 WeakPolarHBondContact CD-O 3.45Å
397	S	84.6	Confident	90.5	Very high	130 Å²	130	28.7 Å²	28.7	91%	0.909	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.4	6.6	176	-53.3	0	0	0	0	116.9	A399	S397-A399 PolarHBondContact O-N 3.23Å
398	T	85.9	Confident	90.4	Very high	22 Å²	22	31 Å²	31	14%	0.135	18%	0.177	C	C	.	.	S	Bend	trans	-81	28.2	177.5	54.8	0	0	0	0	114.9	D395 P396 K400 L534 D536	D395-T398 HydrophobicContact CB-CG2 4.14Å; D395-T398 WeakPolarHBondContact O-CG2 3.47Å; D395-T398 PolarHBondContact O-OG1 3.49Å; P396-T398 PolarHBondContact O-N 3.04Å; P396-T398 VanDerWaalsContact O-N 3.13Å; T398-K400 PolarHBondContact O-N 2.9Å; T398-K400 VanDerWaalsContact O-N 3.07Å; T398-K400 WeakPolarHBondContact OG1-CE 3.48Å; T398-K400 WeakPolarHBondContact OG1-CG 3.28Å; T398-L534 HydrophobicContact CG2-CB 4.46Å; T398-D536 HydrophobicContact CG2-CB 4.09Å
399	A	87.3	Confident	90.2	Very high	39 Å²	39	37.7 Å²	37.7	32%	0.322	21%	0.208	S	C	.	.	S	Bend	trans	57.9	15.3	-180	0	0	0	0	0	116.9	S397 S401 Q402 F403	S397-A399 PolarHBondContact O-N 3.23Å; A399-S401 PolarHBondContact O-N 3.33Å; A399-Q402 HydrophobicContact CB-CB 4.39Å; A399-Q402 HydrophobicContact CB-CG 4.48Å; A399-Q402 WeakPolarHBondContact O-CB 3.5Å; A399-Q402 PolarHBondContact O-N 3.27Å; A399-F403 PolarHBondContact O-N 3.33Å
400	K	90.3	Very high	89.8	Confident	12 Å²	12	38 Å²	38	5%	0.052	21%	0.209	C	C	.	.	H	α-helix	trans	-53.4	-52.3	-179.9	-65.1	179	-65.2	176.9	0	113.5	I392 G394 D395 T398 Q402 F403 L404 A500 A501 N502 L534	I392-K400 HydrophobicContact CG2-CD 4.06Å; I392-K400 HydrophobicContact CG2-CG 3.84Å; G394-K400 PolarHBondContact O-NZ 2.88Å; D395-K400 WeakPolarHBondContact O-CE 3.45Å; T398-K400 PolarHBondContact O-N 2.9Å; T398-K400 VanDerWaalsContact O-N 3.07Å; T398-K400 WeakPolarHBondContact OG1-CE 3.48Å; T398-K400 WeakPolarHBondContact OG1-CG 3.28Å; K400-Q402 PolarHBondContact O-N 2.91Å; K400-F403 WeakPolarHBondContact O-CB 3.26Å; K400-F403 PolarHBondContact O-N 3.37Å; K400-F403 VanDerWaalsContact O-N 3.11Å; K400-L404 WeakPolarHBondContact O-CD1 3.25Å; K400-L404 PolarHBondContact O-N 3.28Å; K400-A500 HydrophobicContact CB-CB 4.35Å; K400-A501 PolarHBondContact NZ-O 2.82Å; K400-N502 PolarHBondContact NZ-OD1 2.69Å; K400-L534 HydrophobicContact CG-CD1 3.98Å
401	S	91.2	Very high	89.3	Confident	44 Å²	44	38.8 Å²	38.8	31%	0.308	22%	0.215	S	C	.	.	H	α-helix	trans	-64.9	-22.1	178.8	-46.1	0	0	0	0	112.9	A399 K405 D458	A399-S401 PolarHBondContact O-N 3.33Å; S401-K405 VanDerWaalsContact O-CG 3.31Å; S401-K405 WeakPolarHBondContact O-CG 3.27Å; S401-K405 PolarHBondContact O-N 2.97Å; S401-K405 VanDerWaalsContact O-N 3.09Å; S401-D458 WeakPolarHBondContact CB-OD2 3.47Å; S401-D458 PolarHBondContact OG-OD2 3.39Å
402	Q	90.4	Very high	88.3	Confident	94 Å²	94	41.9 Å²	41.9	44%	0.439	24%	0.235	S	C	.	.	H	α-helix	trans	-71.7	-37.3	174.4	-63.5	-66.3	-2.3	0	0	111.6	I356 A399 K400 L404 K405 H406	I356-Q402 HydrophobicContact CD1-CB 4.32Å; A399-Q402 HydrophobicContact CB-CB 4.39Å; A399-Q402 HydrophobicContact CB-CG 4.48Å; A399-Q402 WeakPolarHBondContact O-CB 3.5Å; A399-Q402 PolarHBondContact O-N 3.27Å; K400-Q402 PolarHBondContact O-N 2.91Å; Q402-L404 VanDerWaalsContact C-N 3.34Å; Q402-L404 PolarHBondContact O-N 3.4Å; Q402-K405 PolarHBondContact O-N 2.78Å; Q402-H406 WeakPolarHBondContact O-CB 3.48Å; Q402-H406 PolarHBondContact O-CD2 3.27Å; Q402-H406 PolarHBondContact O-N 2.8Å
403	F	92.9	Very high	87.6	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-59.3	-45.7	172.6	-75	-66.3	0	0	0	111.6	F353 I356 V362 K363 I366 I392 A399 K400 H406 V407	F353-F403 HydrophobicContact CD1-CD1 4.02Å; F353-F403 HydrophobicContact CD1-CE1 4.24Å; F353-F403 AromaticContact CE1-CD1 3.87Å; F353-F403 HydrophobicContact CE1-CD1 3.87Å; F353-F403 HydrophobicContact CE1-CE1 4.45Å; F353-F403 HydrophobicContact CG-CE1 4.31Å; F353-F403 HydrophobicContact CZ-CD1 4.23Å; I356-F403 HydrophobicContact CD1-CD1 3.61Å; I356-F403 HydrophobicContact CD1-CD2 4.43Å; I356-F403 HydrophobicContact CD1-CE1 3.54Å; I356-F403 HydrophobicContact CD1-CE2 4.38Å; I356-F403 HydrophobicContact CD1-CG 4.08Å; I356-F403 HydrophobicContact CD1-CZ 3.96Å; I356-F403 HydrophobicContact CG2-CE1 4.15Å; I356-F403 HydrophobicContact CG2-CE2 4.31Å; I356-F403 HydrophobicContact CG2-CZ 3.7Å; V362-F403 HydrophobicContact CG1-CE2 4.36Å; V362-F403 HydrophobicContact CG1-CZ 4.4Å; K363-F403 HydrophobicContact CG-CE1 3.99Å; K363-F403 HydrophobicContact CG-CZ 4.44Å; I366-F403 HydrophobicContact CD1-CB 4Å; I366-F403 HydrophobicContact CD1-CD1 3.71Å; I366-F403 HydrophobicContact CD1-CE1 4.38Å; I366-F403 HydrophobicContact CD1-CG 3.98Å; I392-F403 HydrophobicContact CD1-CB 4.32Å; I392-F403 HydrophobicContact CD1-CD2 4.41Å; A399-F403 PolarHBondContact O-N 3.33Å; K400-F403 WeakPolarHBondContact O-CB 3.26Å; K400-F403 PolarHBondContact O-N 3.37Å; K400-F403 VanDerWaalsContact O-N 3.11Å; F403-H406 PolarHBondContact O-N 3.03Å; F403-V407 VanDerWaalsContact O-CG2 3.3Å; F403-V407 WeakPolarHBondContact O-CG2 3.06Å; F403-V407 PolarHBondContact O-N 3.07Å
404	L	93.3	Very high	87.4	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-62.6	-46.9	179.4	-84.6	67.8	0	0	0	111.5	K400 Q402 H406 V407 E408 Y416 C456 D458 L498 A500	K400-L404 WeakPolarHBondContact O-CD1 3.25Å; K400-L404 PolarHBondContact O-N 3.28Å; Q402-L404 VanDerWaalsContact C-N 3.34Å; Q402-L404 PolarHBondContact O-N 3.4Å; L404-H406 PolarHBondContact O-N 2.99Å; L404-V407 PolarHBondContact O-N 3.5Å; L404-E408 PolarHBondContact O-N 3.2Å; L404-Y416 HydrophobicContact CB-CD2 4.12Å; L404-Y416 HydrophobicContact CB-CE2 4.02Å; L404-Y416 HydrophobicContact CD2-CD2 4.46Å; L404-Y416 HydrophobicContact CD2-CE2 4.11Å; L404-C456 HydrophobicContact CB-CB 4.17Å; L404-C456 HydrophobicContact CD2-CB 4.12Å; L404-C456 HydrophobicContact CG-CB 4Å; L404-D458 HydrophobicContact CD2-CB 4Å; L404-L498 HydrophobicContact CD1-CD2 3.99Å; L404-L498 HydrophobicContact CD1-CG 4.03Å; L404-L498 HydrophobicContact CG-CD2 4.06Å; L404-L498 HydrophobicContact CG-CG 4.21Å; L404-A500 HydrophobicContact CD1-CB 3.94Å; L404-A500 HydrophobicContact CD2-CB 4.04Å
405	K	91.5	Very high	87.3	Confident	100 Å²	100	49.9 Å²	49.9	44%	0.435	27%	0.273	S	S	.	.	H	α-helix	trans	-62.4	-41.5	178	-72.9	174.8	-178.4	-179.1	0	112.7	S401 Q402 V407 E408 E409	S401-K405 VanDerWaalsContact O-CG 3.31Å; S401-K405 WeakPolarHBondContact O-CG 3.27Å; S401-K405 PolarHBondContact O-N 2.97Å; S401-K405 VanDerWaalsContact O-N 3.09Å; Q402-K405 PolarHBondContact O-N 2.78Å; K405-V407 VanDerWaalsContact C-N 3.34Å; K405-V407 PolarHBondContact O-N 3.49Å; K405-E408 PolarHBondContact O-N 3.21Å; K405-E409 PolarHBondContact O-N 3.27Å
406	H	90.3	Very high	87.4	Confident	49 Å²	49	52.9 Å²	52.9	23%	0.227	28%	0.284	C	S	.	.	H	α-helix	trans	-64.5	-38.7	176.2	-83.7	-58.4	0	0	0	112.3	F353 T355 Q402 F403 L404 F410	F353-H406 HydrophobicContact CD1-CB 4.25Å; F353-H406 HydrophobicContact CE1-CB 3.93Å; T355-H406 PolarHBondContact OG1-NE2 3.19Å; T355-H406 VanDerWaalsContact OG1-NE2 3.17Å; Q402-H406 WeakPolarHBondContact O-CB 3.48Å; Q402-H406 PolarHBondContact O-CD2 3.27Å; Q402-H406 PolarHBondContact O-N 2.8Å; F403-H406 PolarHBondContact O-N 3.03Å; L404-H406 PolarHBondContact O-N 2.99Å; H406-F410 WeakPolarHBondContact O-CB 3.5Å; H406-F410 PolarHBondContact O-N 2.97Å
407	V	91.6	Very high	87.5	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.006	27%	0.267	C	S	.	.	H	α-helix	trans	-68.3	-39.6	176.1	171.4	0	0	0	0	111.4	F353 I366 M369 L370 F403 L404 K405 F410 S411 V454 L498	F353-V407 HydrophobicContact CZ-CG2 4.33Å; I366-V407 HydrophobicContact CG2-CG2 3.56Å; M369-V407 HydrophobicContact CE-CG1 4.25Å; L370-V407 HydrophobicContact CD2-CG1 4.32Å; F403-V407 VanDerWaalsContact O-CG2 3.3Å; F403-V407 WeakPolarHBondContact O-CG2 3.06Å; F403-V407 PolarHBondContact O-N 3.07Å; L404-V407 PolarHBondContact O-N 3.5Å; K405-V407 VanDerWaalsContact C-N 3.34Å; K405-V407 PolarHBondContact O-N 3.49Å; V407-F410 PolarHBondContact O-N 3.4Å; V407-S411 VanDerWaalsContact O-CB 3.27Å; V407-S411 WeakPolarHBondContact O-CB 3.38Å; V407-S411 PolarHBondContact O-N 2.93Å; V407-V454 HydrophobicContact CG1-CB 4.44Å; V407-V454 HydrophobicContact CG1-CG1 4.06Å; V407-L498 HydrophobicContact CB-CD2 4.21Å; V407-L498 HydrophobicContact CG1-CD2 4.34Å; V407-L498 HydrophobicContact CG2-CD2 4Å
408	E	88.4	Confident	87.8	Confident	78 Å²	78	45.3 Å²	45.3	36%	0.364	23%	0.233	S	C	.	.	H	α-helix	trans	-60.2	-46.6	174.7	-175.8	-168	-167.4	0	0	111.8	L404 K405 Y416	L404-E408 PolarHBondContact O-N 3.2Å; K405-E408 PolarHBondContact O-N 3.21Å; E408-Y416 VanDerWaalsContact OE1-CB 3.32Å; E408-Y416 WeakPolarHBondContact OE1-CB 3.28Å; E408-Y416 WeakPolarHBondContact OE2-CB 3.45Å
409	E	85.4	Confident	87.6	Confident	142 Å²	142	44.4 Å²	44.4	66%	0.664	23%	0.228	S	C	*	.	H	α-helix	trans	-70.2	-35.5	179.1	-173.7	-177.8	-176.3	0	0	112.3	K405 R571	K405-E409 PolarHBondContact O-N 3.27Å; E409-R571 PolarHBondContact O-NH2 3.15Å
410	F	86.4	Confident	87.5	Confident	9 Å²	9	50.4 Å²	50.4	4%	0.039	25%	0.247	C	C	.	.	H	α-helix	trans	-72.9	-47.4	-179.6	177	-105.8	0	0	0	111.9	L352 L370 H406 V407 L567 I570 R571 L574	L352-F410 HydrophobicContact CD1-CB 4.28Å; L352-F410 HydrophobicContact CD1-CD1 3.96Å; L352-F410 HydrophobicContact CD1-CD2 3.54Å; L352-F410 HydrophobicContact CD1-CE1 4.19Å; L352-F410 HydrophobicContact CD1-CE2 3.79Å; L352-F410 HydrophobicContact CD1-CG 3.64Å; L352-F410 HydrophobicContact CD1-CZ 4.12Å; L370-F410 HydrophobicContact CD1-CD1 3.94Å; L370-F410 HydrophobicContact CD1-CE1 3.93Å; L370-F410 HydrophobicContact CD2-CD1 4.43Å; H406-F410 WeakPolarHBondContact O-CB 3.5Å; H406-F410 PolarHBondContact O-N 2.97Å; V407-F410 PolarHBondContact O-N 3.4Å; F410-L567 HydrophobicContact CD2-CD2 4.07Å; F410-L567 HydrophobicContact CE2-CD2 4.33Å; F410-I570 HydrophobicContact CE2-CB 4.21Å; F410-I570 HydrophobicContact CE2-CG2 4.06Å; F410-I570 HydrophobicContact CZ-CB 4.26Å; F410-I570 HydrophobicContact CZ-CG2 3.68Å; F410-R571 HydrophobicContact CD2-CG 4.23Å; F410-R571 HydrophobicContact CE2-CG 3.6Å; F410-R571 HydrophobicContact CZ-CG 3.86Å; F410-R571 PolarHBondContact O-NE 2.71Å; F410-R571 PolarHBondContact O-NH2 2.88Å; F410-L574 HydrophobicContact CE1-CD1 3.99Å; F410-L574 HydrophobicContact CZ-CD1 4.43Å
411	S	83	Confident	86.9	Confident	16 Å²	16	54 Å²	54	11%	0.112	28%	0.279	C	S	.	.	S	Bend	trans	-86.9	128.7	-170.5	-179	0	0	0	0	112.3	V407 R413 A414	V407-S411 VanDerWaalsContact O-CB 3.27Å; V407-S411 WeakPolarHBondContact O-CB 3.38Å; V407-S411 PolarHBondContact O-N 2.93Å; S411-R413 VanDerWaalsContact C-N 3.34Å; S411-R413 PolarHBondContact O-N 3.41Å; S411-A414 PolarHBondContact O-N 3.2Å
412	P	71.1	Confident	86.2	Confident	66 Å²	66	53 Å²	53	43%	0.429	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-27.2	-170.9	26.2	-33.5	0	0	0	114	R307	R307-P412 VanDerWaalsContact NE-CB 3.32Å; R307-P412 PolarHBondContact NH1-O 3.04Å; R307-P412 VanDerWaalsContact NH2-CA 3.27Å; R307-P412 PolarHBondContact NH2-O 3.34Å
413	R	78.9	Confident	85.6	Confident	113 Å²	113	51.7 Å²	51.7	43%	0.426	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.9	41.3	177.3	-77.2	-173	162.5	161.2	-2.4	110.9	D315 S411 G453 V454	D315-R413 IonicContact OD2-NH1 2.7Å; D315-R413 IonicContact OD2-NH2 3.15Å; S411-R413 VanDerWaalsContact C-N 3.34Å; S411-R413 PolarHBondContact O-N 3.41Å; R413-G453 WeakPolarHBondContact O-CA 3.46Å; R413-V454 PolarHBondContact O-N 2.99Å
414	A	86.5	Confident	84.8	Confident	17 Å²	17	53 Å²	53	14%	0.14	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	138.5	175.5	0	0	0	0	0	112.1	S411 V454	S411-A414 PolarHBondContact O-N 3.2Å; A414-V454 WeakPolarHBondContact CA-O 3.45Å; A414-V454 HydrophobicContact CB-CB 4.29Å; A414-V454 WeakPolarHBondContact CB-O 3.4Å
415	V	88.3	Confident	84	Confident	38 Å²	38	55.2 Å²	55.2	23%	0.23	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	127.2	177.1	-178.5	0	0	0	0	108	T417 A446 L449 A450 V454 C456	V415-T417 HydrophobicContact CG1-CG2 4.03Å; V415-A446 HydrophobicContact CG1-CB 4Å; V415-L449 HydrophobicContact CG2-CB 4.42Å; V415-A450 HydrophobicContact CB-CB 4.24Å; V415-A450 HydrophobicContact CG2-CB 3.89Å; V415-V454 PolarHBondContact N-O 2.93Å; V415-V454 VanDerWaalsContact N-O 3.12Å; V415-C456 PolarHBondContact O-N 3.21Å
416	Y	91.6	Very high	83.4	Confident	69 Å²	69	52.1 Å²	52.1	27%	0.271	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	130.8	171.6	176.6	-92.9	0	0	0	110.9	L404 E408 C456 D458	L404-Y416 HydrophobicContact CB-CD2 4.12Å; L404-Y416 HydrophobicContact CB-CE2 4.02Å; L404-Y416 HydrophobicContact CD2-CD2 4.46Å; L404-Y416 HydrophobicContact CD2-CE2 4.11Å; E408-Y416 VanDerWaalsContact OE1-CB 3.32Å; E408-Y416 WeakPolarHBondContact OE1-CB 3.28Å; E408-Y416 WeakPolarHBondContact OE2-CB 3.45Å; Y416-C456 HydrophobicContact CD2-CB 4.12Å; Y416-D458 HydrophobicContact CE2-CB 3.99Å; Y416-D458 WeakPolarHBondContact OH-CB 3.34Å; Y416-D458 PolarHBondContact OH-OD2 3.17Å
417	T	89.8	Confident	83.1	Confident	15 Å²	15	49.8 Å²	49.8	9%	0.092	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	149.9	176.5	58.6	0	0	0	0	110.5	V415 A446 C456 I457 D458	V415-T417 HydrophobicContact CG1-CG2 4.03Å; T417-A446 HydrophobicContact CG2-CB 3.49Å; T417-A446 VanDerWaalsContact CG2-CB 3.49Å; T417-C456 PolarHBondContact N-O 3.38Å; T417-C456 PolarHBondContact OG1-O 3.2Å; T417-I457 WeakPolarHBondContact O-CA 3.35Å; T417-D458 PolarHBondContact O-N 3.23Å
418	S	90.1	Very high	82.8	Confident	28 Å²	28	50.4 Å²	50.4	20%	0.196	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	133.7	169	162.6	0	0	0	0	108.7	K420 A421 S422	S418-K420 PolarHBondContact O-N 2.64Å; S418-K420 PolarHBondContact OG-N 3.18Å; S418-A421 PolarHBondContact O-N 2.66Å; S418-S422 VanDerWaalsContact O-CB 3.23Å; S418-S422 WeakPolarHBondContact O-CB 3.25Å; S418-S422 PolarHBondContact O-N 2.99Å; S418-S422 PolarHBondContact O-OG 3.06Å
419	G	82.5	Confident	82.5	Confident	3 Å²	3	46.8 Å²	46.8	3%	0.031	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-24.2	178.7	0	0	0	0	0	113.8	D458 M463	G419-D458 PolarHBondContact N-O 3.13Å; G419-M463 WeakPolarHBondContact O-CG 3.38Å
420	K	83.8	Confident	82.4	Confident	165 Å²	165	41 Å²	41	72%	0.717	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-36.3	176.8	-172.9	177.7	-178.5	179.8	0	113.3	S418	S418-K420 PolarHBondContact O-N 2.64Å; S418-K420 PolarHBondContact OG-N 3.18Å
421	A	78.4	Confident	82.3	Confident	88 Å²	88	42.2 Å²	42.2	73%	0.727	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-18.1	-178.3	0	0	0	0	0	112.5	S418	S418-A421 PolarHBondContact O-N 2.66Å
422	S	76.7	Confident	82.5	Confident	21 Å²	21	43.8 Å²	43.8	15%	0.147	27%	0.268	C	S	.	.			trans	-95.4	126.8	-176.7	-50	0	0	0	0	109.8	S418	S418-S422 VanDerWaalsContact O-CB 3.23Å; S418-S422 WeakPolarHBondContact O-CB 3.25Å; S418-S422 PolarHBondContact O-N 2.99Å; S418-S422 PolarHBondContact O-OG 3.06Å
423	S	78.6	Confident	83.2	Confident	67 Å²	67	47.8 Å²	47.8	47%	0.469	28%	0.275	S	S	.	.			trans	-90.8	163.8	169.2	58.8	0	0	0	0	110.5	A425 G426 L427 D467	S423-A425 PolarHBondContact O-N 3.49Å; S423-G426 CarbonylContact O-C 3.6Å; S423-G426 WeakPolarHBondContact O-CA 3.45Å; S423-G426 PolarHBondContact O-N 3.42Å; S423-G426 PolarHBondContact OG-N 2.95Å; S423-L427 PolarHBondContact O-N 3.05Å; S423-D467 VanDerWaalsContact C-OD2 3.26Å; S423-D467 WeakPolarHBondContact CA-OD2 3.47Å
424	A	75.1	Confident	83.3	Confident	29 Å²	29	44 Å²	44	24%	0.24	26%	0.263	C	S	.	.	H	α-helix	trans	-48	-39.4	172.1	0	0	0	0	0	112.5	L427 T428 D467	A424-L427 PolarHBondContact O-N 3Å; A424-T428 PolarHBondContact O-N 3.36Å; A424-T428 PolarHBondContact O-OG1 3.47Å; A424-D467 WeakPolarHBondContact CA-OD1 3.13Å; A424-D467 HydrophobicContact CB-CB 4.42Å; A424-D467 WeakPolarHBondContact CB-OD1 3.44Å; A424-D467 PolarHBondContact N-OD1 3.44Å; A424-D467 VanDerWaalsContact N-OD1 3.1Å; A424-D467 PolarHBondContact N-OD2 2.98Å
425	A	75.6	Confident	82.9	Confident	45 Å²	45	51.5 Å²	51.5	37%	0.372	30%	0.295	S	S	.	.	H	α-helix	trans	-65	-39.8	178.1	0	0	0	0	0	112.2	S423 A430	S423-A425 PolarHBondContact O-N 3.49Å; A425-A430 HydrophobicContact CB-CB 3.92Å
426	G	80.8	Confident	82.4	Confident	35 Å²	35	55 Å²	55	36%	0.361	31%	0.309	S	S	.	.	H	α-helix	trans	-75.7	-27.9	176.7	0	0	0	0	0	114.1	S423 G445 A446	S423-G426 CarbonylContact O-C 3.6Å; S423-G426 WeakPolarHBondContact O-CA 3.45Å; S423-G426 PolarHBondContact O-N 3.42Å; S423-G426 PolarHBondContact OG-N 2.95Å; G426-G445 CarbonylContact O-C 3.51Å; G426-G445 VanDerWaalsContact O-CA 3.24Å; G426-G445 WeakPolarHBondContact O-CA 3.31Å; G426-A446 PolarHBondContact O-N 2.87Å
427	L	83.1	Confident	81.7	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.005	32%	0.315	C	S	.	.	H	α-helix	trans	-81.6	-44.2	177.3	-77.5	161.9	0	0	0	112.8	S423 A424 A446 L447 M463 D467 I471	S423-L427 PolarHBondContact O-N 3.05Å; A424-L427 PolarHBondContact O-N 3Å; L427-A446 PolarHBondContact O-N 3.41Å; L427-L447 VanDerWaalsContact O-CB 3.25Å; L427-L447 WeakPolarHBondContact O-CB 3.4Å; L427-L447 WeakPolarHBondContact O-CG 3.49Å; L427-L447 PolarHBondContact O-N 2.92Å; L427-M463 HydrophobicContact CD1-SD 3.61Å; L427-D467 HydrophobicContact CD1-CB 4.22Å; L427-I471 HydrophobicContact CD1-CD1 4.17Å
428	T	84.1	Confident	81.3	Confident	13 Å²	13	59.6 Å²	59.6	8%	0.08	34%	0.338	C	S	.	.	S	Bend	trans	-98.6	-100.6	-172	59.6	0	0	0	0	112.3	A424 G445 L447 A470 I480	A424-T428 PolarHBondContact O-N 3.36Å; A424-T428 PolarHBondContact O-OG1 3.47Å; T428-G445 WeakPolarHBondContact O-CA 3.4Å; T428-G445 PolarHBondContact O-N 2.96Å; T428-L447 HydrophobicContact CG2-CD1 4.45Å; T428-A470 HydrophobicContact CG2-CB 3.63Å; T428-I480 HydrophobicContact CG2-CD1 3.91Å; T428-I480 HydrophobicContact CG2-CG2 4.48Å
429	A	82.1	Confident	81	Confident	3 Å²	3	64.8 Å²	64.8	3%	0.025	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	146.3	167.2	0	0	0	0	0	108.9	I442 E443 M448 I482 L491	A429-I442 HydrophobicContact CB-CG2 3.67Å; A429-E443 CarbonylContact C-O 3.51Å; A429-E443 VanDerWaalsContact CA-O 3.24Å; A429-E443 WeakPolarHBondContact CA-O 2.91Å; A429-E443 WeakPolarHBondContact CB-O 3.39Å; A429-M448 HydrophobicContact CB-SD 3.51Å; A429-M448 VanDerWaalsContact CB-SD 3.51Å; A429-I482 HydrophobicContact CB-CD1 3.28Å; A429-L491 HydrophobicContact CB-CD1 3.79Å
430	A	83.8	Confident	81.1	Confident	20 Å²	20	69.5 Å²	69.5	17%	0.165	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	144.1	177.4	0	0	0	0	0	109.7	A425 V432 I442 E443	A425-A430 HydrophobicContact CB-CB 3.92Å; A430-V432 HydrophobicContact CB-CG2 4.12Å; A430-I442 CarbonylContact O-C 3.6Å; A430-I442 WeakPolarHBondContact O-CA 3.4Å; A430-E443 HydrophobicContact CB-CB 4.46Å; A430-E443 PolarHBondContact N-O 2.96Å; A430-E443 PolarHBondContact O-N 3.32Å
431	V	85.4	Confident	81.1	Confident	34 Å²	34	64.5 Å²	64.5	21%	0.206	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	109.4	168.1	-178.7	0	0	0	0	106.8	F440 V441 I482 K484 A485	V431-F440 HydrophobicContact CG1-CB 3.75Å; V431-F440 HydrophobicContact CG1-CD1 4.1Å; V431-F440 HydrophobicContact CG1-CG 4.28Å; V431-V441 CarbonylContact C-O 3.58Å; V431-V441 WeakPolarHBondContact CA-O 3.47Å; V431-I482 HydrophobicContact CG2-CG2 3.98Å; V431-K484 HydrophobicContact CG2-CB 4.1Å; V431-A485 HydrophobicContact CG1-CB 4.15Å
432	V	86.1	Confident	81.4	Confident	50 Å²	50	63.1 Å²	63.1	30%	0.303	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	141.4	-177.8	-178.4	0	0	0	0	108.5	A430 V441 E443	A430-V432 HydrophobicContact CB-CG2 4.12Å; V432-V441 PolarHBondContact N-O 3.49Å; V432-V441 WeakPolarHBondContact O-CG2 3.34Å; V432-V441 PolarHBondContact O-N 3.44Å; V432-V441 VanDerWaalsContact O-O 3.12Å; V432-E443 HydrophobicContact CB-CG 4.31Å; V432-E443 HydrophobicContact CG2-CB 4.49Å; V432-E443 HydrophobicContact CG2-CG 4.05Å; V432-E443 WeakPolarHBondContact CG2-OE2 3.31Å
433	R	86.4	Confident	81.6	Confident	149 Å²	149	65.5 Å²	65.5	56%	0.562	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.1	118.3	172.5	-170	176.8	-176.6	-169.1	-3.1	108.4	H438 E439 F440	R433-H438 PolarHBondContact NE-O 3.09Å; R433-E439 WeakPolarHBondContact CA-O 3.44Å; R433-F440 HydrophobicContact CB-CD1 3.97Å; R433-F440 HydrophobicContact CB-CE1 3.89Å; R433-F440 HydrophobicContact CG-CD1 4.41Å; R433-F440 HydrophobicContact CG-CE1 4.26Å
434	D	81.3	Confident	81.8	Confident	35 Å²	35	64.6 Å²	64.6	19%	0.187	35%	0.348	C	S	.	.			trans	-71.7	138	175.4	177.9	36.8	0	0	0	110.3	E436 S437 H438 E439 V441	D434-E436 PolarHBondContact OD1-N 3.2Å; D434-S437 WeakPolarHBondContact CB-OG 3.41Å; D434-S437 WeakPolarHBondContact OD2-CB 3.46Å; D434-S437 PolarHBondContact OD2-N 2.64Å; D434-S437 PolarHBondContact OD2-OG 3.11Å; D434-H438 WeakPolarHBondContact O-CA 3.24Å; D434-H438 PolarHBondContact O-N 3.42Å; D434-E439 PolarHBondContact N-O 3.47Å; D434-V441 HydrophobicContact CB-CG1 4.27Å; D434-V441 HydrophobicContact CB-CG2 4.11Å
435	E	78.4	Confident	82.3	Confident	174 Å²	174	63.5 Å²	63.5	81%	0.813	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-27.6	-178.3	-71.7	-176.2	169.1	0	0	111.8	H438	E435-H438 PolarHBondContact O-CE1 2.93Å
436	E	76.5	Confident	82.7	Confident	110 Å²	110	61.8 Å²	61.8	51%	0.514	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-46.8	-178.9	-67.3	-174.9	172.2	0	0	111.7	H142 K202 D434	H142-E436 IonicContact CD2-OE2 3.99Å; H142-E436 IonicContact CE1-OE2 2.91Å; H142-E436 IonicContact NE2-OE2 2.52Å; H142-E436 PolarHBondContact NE2-OE2 3Å; K202-E436 IonicContact NZ-OE1 3.8Å; D434-E436 PolarHBondContact OD1-N 3.2Å
437	S	76.5	Confident	83.1	Confident	58 Å²	58	60.1 Å²	60.1	41%	0.406	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-15.7	179.5	61	0	0	0	0	114.5	D434 E439	D434-S437 WeakPolarHBondContact CB-OG 3.41Å; D434-S437 WeakPolarHBondContact OD2-CB 3.46Å; D434-S437 PolarHBondContact OD2-N 2.64Å; D434-S437 PolarHBondContact OD2-OG 3.11Å; S437-E439 PolarHBondContact O-N 2.66Å; S437-E439 VanDerWaalsContact O-N 3.07Å
438	H	81.7	Confident	83.2	Confident	124 Å²	124	61.9 Å²	61.9	57%	0.574	32%	0.316	S	S	*	.			trans	59	5.5	-170.1	-67.5	-42.9	0	0	0	115.7	R433 D434 E435	R433-H438 PolarHBondContact NE-O 3.09Å; D434-H438 WeakPolarHBondContact O-CA 3.24Å; D434-H438 PolarHBondContact O-N 3.42Å; E435-H438 PolarHBondContact O-CE1 2.93Å
439	E	84.1	Confident	83.1	Confident	137 Å²	137	65.3 Å²	65.3	64%	0.64	33%	0.333	S	S	*	.	S	Bend	trans	-88.8	158.8	177.4	-63.7	-164.8	161.5	0	0	111.8	R433 D434 S437 V441	R433-E439 WeakPolarHBondContact CA-O 3.44Å; D434-E439 PolarHBondContact N-O 3.47Å; S437-E439 PolarHBondContact O-N 2.66Å; S437-E439 VanDerWaalsContact O-N 3.07Å; E439-V441 PolarHBondContact O-N 3.25Å
440	F	84.3	Confident	83.3	Confident	102 Å²	102	65.1 Å²	65.1	45%	0.447	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	111.2	174.5	-70.2	-73.9	0	0	0	109.3	V431 R433 A485 V487	V431-F440 HydrophobicContact CG1-CB 3.75Å; V431-F440 HydrophobicContact CG1-CD1 4.1Å; V431-F440 HydrophobicContact CG1-CG 4.28Å; R433-F440 HydrophobicContact CB-CD1 3.97Å; R433-F440 HydrophobicContact CB-CE1 3.89Å; R433-F440 HydrophobicContact CG-CD1 4.41Å; R433-F440 HydrophobicContact CG-CE1 4.26Å; F440-A485 HydrophobicContact CB-CB 4.42Å; F440-A485 HydrophobicContact CD1-CB 3.87Å; F440-A485 HydrophobicContact CD2-CB 3.95Å; F440-A485 HydrophobicContact CE1-CB 4.05Å; F440-A485 HydrophobicContact CE2-CB 4.13Å; F440-A485 HydrophobicContact CG-CB 3.82Å; F440-A485 HydrophobicContact CZ-CB 4.17Å; F440-V487 HydrophobicContact CB-CG2 4.18Å
441	V	84.1	Confident	83.4	Confident	60 Å²	60	65.9 Å²	65.9	36%	0.364	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	151.7	177.3	-62.8	0	0	0	0	110.5	V431 V432 D434 E439	V431-V441 CarbonylContact C-O 3.58Å; V431-V441 WeakPolarHBondContact CA-O 3.47Å; V432-V441 PolarHBondContact N-O 3.49Å; V432-V441 WeakPolarHBondContact O-CG2 3.34Å; V432-V441 PolarHBondContact O-N 3.44Å; V432-V441 VanDerWaalsContact O-O 3.12Å; D434-V441 HydrophobicContact CB-CG1 4.27Å; D434-V441 HydrophobicContact CB-CG2 4.11Å; E439-V441 PolarHBondContact O-N 3.25Å
442	I	84	Confident	83.4	Confident	58 Å²	58	66.9 Å²	66.9	30%	0.297	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	121	174.8	-51.6	178.3	0	0	0	108.2	A429 A430 V487 A489 L491	A429-I442 HydrophobicContact CB-CG2 3.67Å; A430-I442 CarbonylContact O-C 3.6Å; A430-I442 WeakPolarHBondContact O-CA 3.4Å; I442-V487 HydrophobicContact CD1-CG1 3.73Å; I442-V487 HydrophobicContact CG1-CG1 4.01Å; I442-A489 HydrophobicContact CD1-CB 3.52Å; I442-L491 HydrophobicContact CD1-CD1 4.5Å; I442-L491 HydrophobicContact CG2-CD1 3.97Å
443	E	81.9	Confident	83.5	Confident	71 Å²	71	64.9 Å²	64.9	33%	0.332	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	124.2	166.7	-69.5	-170.4	158.4	0	0	108.8	R140 A429 A430 V432	R140-E443 IonicContact CZ-OE1 3.28Å; R140-E443 IonicContact NE-OE1 3.53Å; R140-E443 IonicContact NH2-OE1 2.88Å; R140-E443 PolarHBondContact NH2-OE1 3.41Å; A429-E443 CarbonylContact C-O 3.51Å; A429-E443 VanDerWaalsContact CA-O 3.24Å; A429-E443 WeakPolarHBondContact CA-O 2.91Å; A429-E443 WeakPolarHBondContact CB-O 3.39Å; A430-E443 HydrophobicContact CB-CB 4.46Å; A430-E443 PolarHBondContact N-O 2.96Å; A430-E443 PolarHBondContact O-N 3.32Å; V432-E443 HydrophobicContact CB-CG 4.31Å; V432-E443 HydrophobicContact CG2-CB 4.49Å; V432-E443 HydrophobicContact CG2-CG 4.05Å; V432-E443 WeakPolarHBondContact CG2-OE2 3.31Å
444	A	82.1	Confident	83.7	Confident	49 Å²	49	58.1 Å²	58.1	41%	0.405	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	133.4	177.9	0	0	0	0	0	110.8	M448 L449	A444-M448 HydrophobicContact CB-CB 4.03Å; A444-M448 HydrophobicContact CB-CE 3.86Å; A444-M448 HydrophobicContact CB-SD 4.23Å; A444-L449 HydrophobicContact CB-CD2 4.31Å; A444-L449 HydrophobicContact CB-CG 4.48Å
445	G	85.8	Confident	84.3	Confident	5 Å²	5	56.4 Å²	56.4	5%	0.052	29%	0.293	C	S	.	.			trans	-90.2	-178.2	173.3	0	0	0	0	0	112.8	G426 T428 L447 M448 L449	G426-G445 CarbonylContact O-C 3.51Å; G426-G445 VanDerWaalsContact O-CA 3.24Å; G426-G445 WeakPolarHBondContact O-CA 3.31Å; T428-G445 WeakPolarHBondContact O-CA 3.4Å; T428-G445 PolarHBondContact O-N 2.96Å; G445-L447 VanDerWaalsContact C-N 3.33Å; G445-L447 PolarHBondContact O-N 3.25Å; G445-M448 PolarHBondContact O-N 2.86Å; G445-M448 VanDerWaalsContact O-N 3.08Å; G445-L449 WeakPolarHBondContact O-CG 2.99Å; G445-L449 PolarHBondContact O-N 3.01Å
446	A	85.5	Confident	85	Confident	10 Å²	10	48.1 Å²	48.1	8%	0.083	26%	0.255	C	S	.	.	H	α-helix	trans	-57.6	-39.1	-172.8	0	0	0	0	0	114.1	V415 T417 G426 L427 M448 L449 A450	V415-A446 HydrophobicContact CG1-CB 4Å; T417-A446 HydrophobicContact CG2-CB 3.49Å; T417-A446 VanDerWaalsContact CG2-CB 3.49Å; G426-A446 PolarHBondContact O-N 2.87Å; L427-A446 PolarHBondContact O-N 3.41Å; A446-M448 VanDerWaalsContact C-N 3.32Å; A446-M448 PolarHBondContact O-N 2.94Å; A446-L449 PolarHBondContact O-N 2.81Å; A446-A450 WeakPolarHBondContact O-CB 3.35Å; A446-A450 PolarHBondContact O-N 2.85Å; A446-A450 VanDerWaalsContact O-N 3.16Å
447	L	87.3	Confident	85.8	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-66.7	-34.6	178.5	-72.4	167	0	0	0	112.2	L427 T428 G445 C455 I471 A474 T495 I497	L427-L447 VanDerWaalsContact O-CB 3.25Å; L427-L447 WeakPolarHBondContact O-CB 3.4Å; L427-L447 WeakPolarHBondContact O-CG 3.49Å; L427-L447 PolarHBondContact O-N 2.92Å; T428-L447 HydrophobicContact CG2-CD1 4.45Å; G445-L447 VanDerWaalsContact C-N 3.33Å; G445-L447 PolarHBondContact O-N 3.25Å; L447-C455 HydrophobicContact CD2-CB 3.79Å; L447-I471 HydrophobicContact CD1-CG1 4.24Å; L447-A474 HydrophobicContact CD1-CB 4.46Å; L447-T495 WeakPolarHBondContact O-CG2 3.42Å; L447-I497 HydrophobicContact CD2-CD1 4.41Å
448	M	85.1	Confident	86.6	Confident	37 Å²	37	40.9 Å²	40.9	18%	0.182	22%	0.215	C	C	.	.	H	α-helix	trans	-76.4	-38.5	178.4	-69.3	179.1	56.5	0	0	111.9	A429 A444 G445 A446 A450 D451 L491	A429-M448 HydrophobicContact CB-SD 3.51Å; A429-M448 VanDerWaalsContact CB-SD 3.51Å; A444-M448 HydrophobicContact CB-CB 4.03Å; A444-M448 HydrophobicContact CB-CE 3.86Å; A444-M448 HydrophobicContact CB-SD 4.23Å; G445-M448 PolarHBondContact O-N 2.86Å; G445-M448 VanDerWaalsContact O-N 3.08Å; A446-M448 VanDerWaalsContact C-N 3.32Å; A446-M448 PolarHBondContact O-N 2.94Å; M448-A450 PolarHBondContact O-N 3.13Å; M448-D451 PolarHBondContact O-N 3.26Å; M448-L491 HydrophobicContact CE-CB 3.79Å; M448-L491 HydrophobicContact CE-CD1 3.61Å; M448-L491 HydrophobicContact CE-CD2 3.79Å; M448-L491 HydrophobicContact CE-CG 3.89Å; M448-L491 HydrophobicContact SD-CB 3.93Å; M448-L491 HydrophobicContact SD-CD1 3.51Å; M448-L491 VanDerWaalsContact SD-CD1 3.51Å; M448-L491 HydrophobicContact SD-CG 4.2Å
449	L	83.4	Confident	87.1	Confident	85 Å²	85	38.2 Å²	38.2	45%	0.445	20%	0.203	S	C	.	.	H	α-helix	trans	-64.2	-25.5	176	-66.5	172.8	0	0	0	112.2	V415 A444 G445 A446	V415-L449 HydrophobicContact CG2-CB 4.42Å; A444-L449 HydrophobicContact CB-CD2 4.31Å; A444-L449 HydrophobicContact CB-CG 4.48Å; G445-L449 WeakPolarHBondContact O-CG 2.99Å; G445-L449 PolarHBondContact O-N 3.01Å; A446-L449 PolarHBondContact O-N 2.81Å
450	A	85.8	Confident	87.4	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	14.7	178.6	0	0	0	0	0	114.3	V415 A446 M448 N452 G453 C455 T495	V415-A450 HydrophobicContact CB-CB 4.24Å; V415-A450 HydrophobicContact CG2-CB 3.89Å; A446-A450 WeakPolarHBondContact O-CB 3.35Å; A446-A450 PolarHBondContact O-N 2.85Å; A446-A450 VanDerWaalsContact O-N 3.16Å; M448-A450 PolarHBondContact O-N 3.13Å; A450-N452 PolarHBondContact O-N 3.03Å; A450-G453 CarbonylContact O-C 3.5Å; A450-G453 VanDerWaalsContact O-CA 3.32Å; A450-G453 WeakPolarHBondContact O-CA 3.47Å; A450-G453 PolarHBondContact O-N 2.91Å; A450-C455 HydrophobicContact CB-CB 4.38Å; A450-T495 HydrophobicContact CB-CG2 4Å; A450-T495 WeakPolarHBondContact O-CG2 3.16Å
451	D	86.3	Confident	87.7	Confident	35 Å²	35	27.2 Å²	27.2	19%	0.187	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	135.7	-177.8	-164.7	42.9	0	0	0	112.4	M448 G453 R494	M448-D451 PolarHBondContact O-N 3.26Å; D451-G453 PolarHBondContact O-N 3.42Å; D451-G453 VanDerWaalsContact O-N 3.13Å; D451-R494 WeakPolarHBondContact OD1-CA 3.3Å; D451-R494 VanDerWaalsContact OD1-CB 3.23Å; D451-R494 WeakPolarHBondContact OD1-CB 3.32Å; D451-R494 PolarHBondContact OD1-N 2.98Å; D451-R494 IonicContact OD1-NE 2.64Å; D451-R494 PolarHBondContact OD1-NE 3.25Å; D451-R494 IonicContact OD2-CZ 3.19Å; D451-R494 IonicContact OD2-NE 3.75Å; D451-R494 PolarHBondContact OD2-NE 3.19Å; D451-R494 IonicContact OD2-NH2 2.79Å; D451-R494 PolarHBondContact OD2-NH2 2.88Å
452	N	84.3	Confident	87.8	Confident	56 Å²	56	29.8 Å²	29.8	30%	0.299	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	11	-171.2	-60.9	-36.4	0	0	0	116	A450 R494 R578	A450-N452 PolarHBondContact O-N 3.03Å; N452-R494 VanDerWaalsContact CA-O 3.25Å; N452-R494 WeakPolarHBondContact CA-O 3.27Å; N452-R494 PolarHBondContact N-O 3.4Å; N452-R494 PolarHBondContact ND2-NH2 3.42Å; N452-R494 PolarHBondContact OD1-NE 3.13Å; N452-R578 PolarHBondContact O-NH2 2.91Å
453	G	88.5	Confident	88	Confident	8 Å²	8	27.5 Å²	27.5	8%	0.082	15%	0.147	C	C	.	.	S	Bend	trans	-117.8	-146.2	178.4	0	0	0	0	0	113.2	R413 A450 D451 S496	R413-G453 WeakPolarHBondContact O-CA 3.46Å; A450-G453 CarbonylContact O-C 3.5Å; A450-G453 VanDerWaalsContact O-CA 3.32Å; A450-G453 WeakPolarHBondContact O-CA 3.47Å; A450-G453 PolarHBondContact O-N 2.91Å; D451-G453 PolarHBondContact O-N 3.42Å; D451-G453 VanDerWaalsContact O-N 3.13Å; G453-S496 PolarHBondContact O-N 2.63Å
454	V	91.8	Very high	88.3	Confident	6 Å²	6	29.7 Å²	29.7	4%	0.036	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	124.6	-175.4	-176.7	0	0	0	0	110.1	M369 L370 V407 R413 A414 V415 S496 L498	M369-V454 HydrophobicContact CE-CG1 3.68Å; M369-V454 HydrophobicContact CE-CG2 4.15Å; M369-V454 HydrophobicContact SD-CG1 4.44Å; L370-V454 HydrophobicContact CD2-CG2 4.18Å; V407-V454 HydrophobicContact CG1-CB 4.44Å; V407-V454 HydrophobicContact CG1-CG1 4.06Å; R413-V454 PolarHBondContact O-N 2.99Å; A414-V454 WeakPolarHBondContact CA-O 3.45Å; A414-V454 HydrophobicContact CB-CB 4.29Å; A414-V454 WeakPolarHBondContact CB-O 3.4Å; V415-V454 PolarHBondContact N-O 2.93Å; V415-V454 VanDerWaalsContact N-O 3.12Å; V454-S496 CarbonylContact C-O 3.57Å; V454-S496 WeakPolarHBondContact CA-O 3.35Å; V454-L498 HydrophobicContact CG1-CB 4.18Å
455	C	92.8	Very high	88.4	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	114.7	170	-172.4	0	0	0	0	109.2	L447 A450 S496 I497 L498	L447-C455 HydrophobicContact CD2-CB 3.79Å; A450-C455 HydrophobicContact CB-CB 4.38Å; C455-S496 PolarHBondContact N-O 3.34Å; C455-I497 WeakPolarHBondContact O-CA 3Å; C455-L498 PolarHBondContact O-N 3.47Å
456	C	94.4	Very high	88.2	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	122	176.4	-63.3	0	0	0	0	109	L404 V415 Y416 T417 L498	L404-C456 HydrophobicContact CB-CB 4.17Å; L404-C456 HydrophobicContact CD2-CB 4.12Å; L404-C456 HydrophobicContact CG-CB 4Å; V415-C456 PolarHBondContact O-N 3.21Å; Y416-C456 HydrophobicContact CD2-CB 4.12Å; T417-C456 PolarHBondContact N-O 3.38Å; T417-C456 PolarHBondContact OG1-O 3.2Å; C456-L498 CarbonylContact C-O 3.53Å; C456-L498 WeakPolarHBondContact CA-O 3.2Å
457	I	93.4	Very high	88.1	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	111.3	-179.5	-50.4	176.2	0	0	0	109.3	T417 F460 M463 I471 I497 L498 A499 A500	T417-I457 WeakPolarHBondContact O-CA 3.35Å; I457-F460 HydrophobicContact CB-CD2 4.25Å; I457-F460 HydrophobicContact CD1-CD2 4.31Å; I457-F460 HydrophobicContact CD1-CE2 4.31Å; I457-F460 HydrophobicContact CG2-CD2 3.92Å; I457-M463 HydrophobicContact CG2-CE 3.86Å; I457-I471 HydrophobicContact CD1-CD1 4.21Å; I457-I497 HydrophobicContact CD1-CG2 4.06Å; I457-L498 PolarHBondContact N-O 3.46Å; I457-A499 WeakPolarHBondContact O-CA 3.34Å; I457-A500 PolarHBondContact O-N 2.96Å
458	D	93.3	Very high	88	Confident	16 Å²	16	41.7 Å²	41.7	9%	0.086	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	154.9	172.1	-155.5	-3.6	0	0	0	111.1	S401 L404 Y416 T417 G419 F460	S401-D458 WeakPolarHBondContact CB-OD2 3.47Å; S401-D458 PolarHBondContact OG-OD2 3.39Å; L404-D458 HydrophobicContact CD2-CB 4Å; Y416-D458 HydrophobicContact CE2-CB 3.99Å; Y416-D458 WeakPolarHBondContact OH-CB 3.34Å; Y416-D458 PolarHBondContact OH-OD2 3.17Å; T417-D458 PolarHBondContact O-N 3.23Å; G419-D458 PolarHBondContact N-O 3.13Å; D458-F460 VanDerWaalsContact C-N 3.29Å; D458-F460 PolarHBondContact O-N 3.33Å
459	E	91	Very high	88	Confident	68 Å²	68	44.7 Å²	44.7	32%	0.318	23%	0.227	S	C	.	.	S	Bend	trans	52	45.2	-176.9	-55.9	-174.8	148.3	0	0	113.1	D461 K462 A500	E459-D461 PolarHBondContact O-N 3.3Å; E459-D461 VanDerWaalsContact O-N 3.12Å; E459-K462 HydrophobicContact CB-CB 4.3Å; E459-K462 HydrophobicContact CB-CG 4.22Å; E459-K462 PolarHBondContact O-N 3.5Å; E459-A500 PolarHBondContact N-O 2.71Å
460	F	91.1	Very high	88	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-58.9	-26.6	-177.5	-171.6	-101.5	0	0	0	112.9	I457 D458 K462 M463 I471 A499 A500 L520 I524 F528	I457-F460 HydrophobicContact CB-CD2 4.25Å; I457-F460 HydrophobicContact CD1-CD2 4.31Å; I457-F460 HydrophobicContact CD1-CE2 4.31Å; I457-F460 HydrophobicContact CG2-CD2 3.92Å; D458-F460 VanDerWaalsContact C-N 3.29Å; D458-F460 PolarHBondContact O-N 3.33Å; F460-K462 VanDerWaalsContact C-N 3.29Å; F460-K462 PolarHBondContact O-N 2.68Å; F460-M463 HydrophobicContact CB-CE 4.49Å; F460-M463 HydrophobicContact CD2-CE 3.07Å; F460-M463 HydrophobicContact CE2-CE 3.25Å; F460-M463 HydrophobicContact CG-CE 3.9Å; F460-M463 HydrophobicContact CZ-CE 4.2Å; F460-I471 HydrophobicContact CE2-CD1 4.19Å; F460-A499 HydrophobicContact CB-CB 4.14Å; F460-A499 HydrophobicContact CD1-CB 4.43Å; F460-A499 HydrophobicContact CD2-CB 4.07Å; F460-A499 HydrophobicContact CG-CB 3.97Å; F460-A500 WeakPolarHBondContact CB-O 3.49Å; F460-A500 PolarHBondContact N-O 3.15Å; F460-L520 HydrophobicContact CD1-CD1 3.91Å; F460-L520 HydrophobicContact CD1-CD2 3.52Å; F460-L520 HydrophobicContact CD1-CG 4.36Å; F460-L520 HydrophobicContact CE1-CD1 3.99Å; F460-L520 HydrophobicContact CE1-CD2 3.49Å; F460-L520 VanDerWaalsContact CE1-CD2 3.49Å; F460-L520 HydrophobicContact CE1-CG 4.39Å; F460-I524 HydrophobicContact CE1-CG2 3.86Å; F460-I524 HydrophobicContact CZ-CG2 3.91Å; F460-F528 HydrophobicContact CE1-CE2 4.08Å; F460-F528 HydrophobicContact CE1-CZ 4.32Å; F460-F528 HydrophobicContact CZ-CE2 4.19Å; F460-F528 HydrophobicContact CZ-CZ 4.21Å
461	D	89.1	Confident	88.1	Confident	7 Å²	7	41.5 Å²	41.5	4%	0.037	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-72.7	-17.5	176.4	66.8	-69.7	0	0	0	114.1	E459 A501 N502	E459-D461 PolarHBondContact O-N 3.3Å; E459-D461 VanDerWaalsContact O-N 3.12Å; D461-A501 HydrophobicContact CB-CB 4.49Å; D461-N502 PolarHBondContact OD1-N 3.09Å
462	K	87.8	Confident	88.2	Confident	115 Å²	115	42.4 Å²	42.4	50%	0.5	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-94.2	2.7	-178.8	-59.9	-55.9	-174.2	-125.9	0	113.9	E459 F460	E459-K462 HydrophobicContact CB-CB 4.3Å; E459-K462 HydrophobicContact CB-CG 4.22Å; E459-K462 PolarHBondContact O-N 3.5Å; F460-K462 VanDerWaalsContact C-N 3.29Å; F460-K462 PolarHBondContact O-N 2.68Å
463	M	87.6	Confident	88.3	Confident	9 Å²	9	42.1 Å²	42.1	4%	0.044	21%	0.213	C	C	.	.	S	Bend	trans	-72.8	144.2	176.5	-107	-172.1	-66.8	0	0	112.8	G419 L427 I457 F460 D467 Q468 I471	G419-M463 WeakPolarHBondContact O-CG 3.38Å; L427-M463 HydrophobicContact CD1-SD 3.61Å; I457-M463 HydrophobicContact CG2-CE 3.86Å; F460-M463 HydrophobicContact CB-CE 4.49Å; F460-M463 HydrophobicContact CD2-CE 3.07Å; F460-M463 HydrophobicContact CE2-CE 3.25Å; F460-M463 HydrophobicContact CG-CE 3.9Å; F460-M463 HydrophobicContact CZ-CE 4.2Å; M463-D467 HydrophobicContact SD-CB 4.25Å; M463-Q468 HydrophobicContact CB-CG 4.24Å; M463-Q468 PolarHBondContact O-NE2 2.91Å; M463-Q468 VanDerWaalsContact O-NE2 3.17Å; M463-I471 HydrophobicContact CE-CD1 3.68Å; M463-I471 HydrophobicContact SD-CD1 3.49Å; M463-I471 WeakPolarHBondContact SD-CD1 3.34Å
464	D	87.9	Confident	88.3	Confident	117 Å²	117	42 Å²	42	63%	0.626	21%	0.211	S	C	*	.			trans	-65.8	147.6	172.5	-75.9	-26.5	0	0	0	112	K466 D467 Q468	D464-K466 PolarHBondContact O-N 2.88Å; D464-K466 VanDerWaalsContact O-N 3.15Å; D464-D467 PolarHBondContact O-N 3.42Å; D464-D467 VanDerWaalsContact O-N 3.09Å; D464-Q468 PolarHBondContact O-N 3.03Å; D464-Q468 VanDerWaalsContact O-N 3.14Å
465	L	84	Confident	88.1	Confident	122 Å²	122	42.1 Å²	42.1	64%	0.639	21%	0.211	S	C	*	.	H	α-helix	trans	-59.7	-28.6	-179.5	-70.8	170.5	0	0	0	113.5	D467 V469 T521	L465-D467 VanDerWaalsContact C-N 3.34Å; L465-V469 WeakPolarHBondContact O-CG2 3.36Å; L465-V469 PolarHBondContact O-N 2.83Å; L465-T521 HydrophobicContact CD2-CG2 4.3Å
466	K	81.8	Confident	87.7	Confident	176 Å²	176	46 Å²	46	77%	0.765	23%	0.23	S	C	*	.	H	α-helix	trans	-65.9	-39.5	177.4	-68.6	179.6	-178.3	172.8	0	111.7	D464 V469 A470	D464-K466 PolarHBondContact O-N 2.88Å; D464-K466 VanDerWaalsContact O-N 3.15Å; K466-V469 PolarHBondContact O-N 2.8Å; K466-A470 PolarHBondContact O-N 3.15Å
467	D	84.4	Confident	87.2	Confident	13 Å²	13	51.1 Å²	51.1	7%	0.07	25%	0.254	C	S	.	.	H	α-helix	trans	-75.8	-36.9	-177.2	-60.2	5.2	0	0	0	109.5	S423 A424 L427 M463 D464 L465 V469 A470 I471	S423-D467 VanDerWaalsContact C-OD2 3.26Å; S423-D467 WeakPolarHBondContact CA-OD2 3.47Å; A424-D467 WeakPolarHBondContact CA-OD1 3.13Å; A424-D467 HydrophobicContact CB-CB 4.42Å; A424-D467 WeakPolarHBondContact CB-OD1 3.44Å; A424-D467 PolarHBondContact N-OD1 3.44Å; A424-D467 VanDerWaalsContact N-OD1 3.1Å; A424-D467 PolarHBondContact N-OD2 2.98Å; L427-D467 HydrophobicContact CD1-CB 4.22Å; M463-D467 HydrophobicContact SD-CB 4.25Å; D464-D467 PolarHBondContact O-N 3.42Å; D464-D467 VanDerWaalsContact O-N 3.09Å; L465-D467 VanDerWaalsContact C-N 3.34Å; D467-V469 VanDerWaalsContact C-N 3.32Å; D467-V469 PolarHBondContact O-N 2.94Å; D467-A470 PolarHBondContact O-N 3.26Å; D467-I471 WeakPolarHBondContact O-CG1 3.38Å; D467-I471 PolarHBondContact O-N 3.2Å
468	Q	84.4	Confident	87	Confident	5 Å²	5	52 Å²	52	2%	0.023	26%	0.258	C	S	.	.	H	α-helix	trans	-58.7	-37.6	171.8	-71.2	-173.2	18.3	0	0	113.4	M463 D464 H472 I524	M463-Q468 HydrophobicContact CB-CG 4.24Å; M463-Q468 PolarHBondContact O-NE2 2.91Å; M463-Q468 VanDerWaalsContact O-NE2 3.17Å; D464-Q468 PolarHBondContact O-N 3.03Å; D464-Q468 VanDerWaalsContact O-N 3.14Å; Q468-H472 WeakPolarHBondContact O-CB 3.42Å; Q468-H472 PolarHBondContact O-N 3.26Å; Q468-I524 HydrophobicContact CB-CD1 3.75Å; Q468-I524 HydrophobicContact CG-CD1 4.16Å
469	V	84.6	Confident	86.7	Confident	100 Å²	100	53.1 Å²	53.1	61%	0.606	27%	0.265	S	S	*	.	H	α-helix	trans	-64.6	-42.7	176.3	171.8	0	0	0	0	111	L465 K466 D467 H472 E473	L465-V469 WeakPolarHBondContact O-CG2 3.36Å; L465-V469 PolarHBondContact O-N 2.83Å; K466-V469 PolarHBondContact O-N 2.8Å; D467-V469 VanDerWaalsContact C-N 3.32Å; D467-V469 PolarHBondContact O-N 2.94Å; V469-H472 WeakPolarHBondContact O-CB 3.36Å; V469-H472 PolarHBondContact O-N 3.01Å; V469-E473 PolarHBondContact O-N 2.95Å; V469-E473 VanDerWaalsContact O-N 3.11Å
470	A	83.8	Confident	86.6	Confident	19 Å²	19	50.1 Å²	50.1	16%	0.157	25%	0.251	C	S	.	.	H	α-helix	trans	-67.8	-39.1	-179.9	0	0	0	0	0	111.7	T428 K466 D467 H472 E473 A474	T428-A470 HydrophobicContact CG2-CB 3.63Å; K466-A470 PolarHBondContact O-N 3.15Å; D467-A470 PolarHBondContact O-N 3.26Å; A470-H472 VanDerWaalsContact C-N 3.33Å; A470-E473 PolarHBondContact O-N 3.44Å; A470-A474 PolarHBondContact O-N 3.35Å; A470-A474 VanDerWaalsContact O-N 3.09Å
471	I	87.9	Confident	86.4	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-63.9	-39.6	171.6	-67.6	175	0	0	0	110.9	L427 L447 I457 F460 M463 D467 E473 A474 M475 I497	L427-I471 HydrophobicContact CD1-CD1 4.17Å; L447-I471 HydrophobicContact CD1-CG1 4.24Å; I457-I471 HydrophobicContact CD1-CD1 4.21Å; F460-I471 HydrophobicContact CE2-CD1 4.19Å; M463-I471 HydrophobicContact CE-CD1 3.68Å; M463-I471 HydrophobicContact SD-CD1 3.49Å; M463-I471 WeakPolarHBondContact SD-CD1 3.34Å; D467-I471 WeakPolarHBondContact O-CG1 3.38Å; D467-I471 PolarHBondContact O-N 3.2Å; I471-E473 VanDerWaalsContact C-N 3.31Å; I471-E473 PolarHBondContact O-N 2.74Å; I471-A474 PolarHBondContact O-N 3.33Å; I471-M475 HydrophobicContact CG2-CG 3.91Å; I471-M475 HydrophobicContact CG2-SD 3.68Å; I471-M475 WeakPolarHBondContact O-CB 3.45Å; I471-M475 VanDerWaalsContact O-CG 3.29Å; I471-M475 WeakPolarHBondContact O-CG 3.15Å; I471-M475 PolarHBondContact O-N 3.23Å; I471-I497 HydrophobicContact CG2-CD1 4.07Å
472	H	87.9	Confident	86.2	Confident	54 Å²	54	53.4 Å²	53.4	25%	0.25	27%	0.273	C	S	.	.	H	α-helix	trans	-63.3	-37.1	179	176.3	-97.2	0	0	0	112.4	Q468 V469 A470 E476 I524	Q468-H472 WeakPolarHBondContact O-CB 3.42Å; Q468-H472 PolarHBondContact O-N 3.26Å; V469-H472 WeakPolarHBondContact O-CB 3.36Å; V469-H472 PolarHBondContact O-N 3.01Å; A470-H472 VanDerWaalsContact C-N 3.33Å; H472-E476 WeakPolarHBondContact O-CB 3.39Å; H472-E476 PolarHBondContact O-N 2.88Å; H472-I524 HydrophobicContact CB-CG1 4.22Å
473	E	87	Confident	86.2	Confident	50 Å²	50	53 Å²	53	23%	0.234	28%	0.28	C	S	.	.	H	α-helix	trans	-63	-51.4	171.2	-174	-178.2	161.2	0	0	110.8	V469 A470 I471 M475 E476 Q477 S481	V469-E473 PolarHBondContact O-N 2.95Å; V469-E473 VanDerWaalsContact O-N 3.11Å; A470-E473 PolarHBondContact O-N 3.44Å; I471-E473 VanDerWaalsContact C-N 3.31Å; I471-E473 PolarHBondContact O-N 2.74Å; E473-M475 PolarHBondContact O-N 2.87Å; E473-E476 PolarHBondContact O-N 2.7Å; E473-Q477 PolarHBondContact O-N 3.32Å; E473-S481 WeakPolarHBondContact OE1-CB 3.37Å; E473-S481 PolarHBondContact OE1-N 3.37Å; E473-S481 PolarHBondContact OE1-OG 2.85Å
474	A	87.5	Confident	86.1	Confident	6 Å²	6	59 Å²	59	5%	0.05	31%	0.306	C	S	.	.	H	α-helix	trans	-57.6	-44.3	178.9	0	0	0	0	0	112.9	L447 A470 I471 E476 Q478 I480	L447-A474 HydrophobicContact CD1-CB 4.46Å; A470-A474 PolarHBondContact O-N 3.35Å; A470-A474 VanDerWaalsContact O-N 3.09Å; I471-A474 PolarHBondContact O-N 3.33Å; A474-E476 VanDerWaalsContact C-N 3.31Å; A474-E476 PolarHBondContact O-N 3.27Å; A474-Q478 WeakPolarHBondContact O-CA 3.49Å; A474-Q478 PolarHBondContact O-N 2.89Å; A474-I480 HydrophobicContact CB-CD1 4.01Å; A474-I480 HydrophobicContact CB-CG1 3.81Å
475	M	88.8	Confident	85.9	Confident	7 Å²	7	56.1 Å²	56.1	3%	0.034	30%	0.299	C	S	.	.	H	α-helix	trans	-69.9	-25.8	-178.6	-73.2	-179	83.7	0	0	114	R385 N389 I471 E473 I497 R527 F528	R385-M475 PolarHBondContact NH1-O 2.89Å; R385-M475 VanDerWaalsContact NH1-O 3.09Å; N389-M475 HydrophobicContact CB-CE 4.11Å; N389-M475 VanDerWaalsContact ND2-CE 3.32Å; N389-M475 WeakPolarHBondContact ND2-CE 3.46Å; I471-M475 HydrophobicContact CG2-CG 3.91Å; I471-M475 HydrophobicContact CG2-SD 3.68Å; I471-M475 WeakPolarHBondContact O-CB 3.45Å; I471-M475 VanDerWaalsContact O-CG 3.29Å; I471-M475 WeakPolarHBondContact O-CG 3.15Å; I471-M475 PolarHBondContact O-N 3.23Å; E473-M475 PolarHBondContact O-N 2.87Å; M475-I497 HydrophobicContact CE-CD1 4.29Å; M475-I497 HydrophobicContact CG-CD1 3.41Å; M475-I497 VanDerWaalsContact CG-CD1 3.41Å; M475-I497 HydrophobicContact SD-CD1 3.86Å; M475-R527 HydrophobicContact CB-CB 4.45Å; M475-R527 HydrophobicContact CE-CB 3.7Å; M475-R527 HydrophobicContact SD-CB 4.32Å; M475-F528 HydrophobicContact CE-CD1 4.18Å; M475-F528 HydrophobicContact CE-CD2 4.14Å; M475-F528 HydrophobicContact CE-CE1 3.95Å; M475-F528 HydrophobicContact CE-CE2 3.92Å; M475-F528 HydrophobicContact CE-CG 4.27Å; M475-F528 HydrophobicContact CE-CZ 3.82Å; M475-F528 HydrophobicContact SD-CE2 4.47Å; M475-F528 HydrophobicContact SD-CZ 4.45Å
476	E	83.4	Confident	85.8	Confident	82 Å²	82	54.5 Å²	54.5	38%	0.383	31%	0.312	S	S	.	.	H	α-helix	trans	-87.3	-55.7	179.4	171.4	62.2	129.2	0	0	111.7	H472 E473 A474 R527 R618	H472-E476 WeakPolarHBondContact O-CB 3.39Å; H472-E476 PolarHBondContact O-N 2.88Å; E473-E476 PolarHBondContact O-N 2.7Å; A474-E476 VanDerWaalsContact C-N 3.31Å; A474-E476 PolarHBondContact O-N 3.27Å; E476-R527 VanDerWaalsContact CG-NH2 3.31Å; E476-R527 IonicContact OE1-CZ 3.61Å; E476-R527 IonicContact OE1-NH1 3.27Å; E476-R527 PolarHBondContact OE1-NH1 3.48Å; E476-R527 IonicContact OE1-NH2 3.55Å; E476-R527 PolarHBondContact OE1-NH2 3.23Å; E476-R527 IonicContact OE2-CZ 2.83Å; E476-R527 IonicContact OE2-NE 3.9Å; E476-R527 IonicContact OE2-NH1 3.66Å; E476-R527 PolarHBondContact OE2-NH1 2.78Å; E476-R527 IonicContact OE2-NH2 2.66Å; E476-R527 PolarHBondContact OE2-NH2 3.06Å; E476-R618 IonicContact OE1-NH2 2.73Å
477	Q	84.8	Confident	85.9	Confident	108 Å²	108	47.9 Å²	47.9	51%	0.505	29%	0.286	S	S	.	.	H	α-helix	trans	-94.3	-7.4	-169.5	-61.8	-176.5	-13.2	0	0	112.6	E473 T479	E473-Q477 PolarHBondContact O-N 3.32Å; Q477-T479 WeakPolarHBondContact CB-OG1 3.41Å; Q477-T479 PolarHBondContact O-N 3.16Å; Q477-T479 PolarHBondContact O-OG1 2.94Å
478	Q	88.3	Confident	86	Confident	19 Å²	19	55.7 Å²	55.7	9%	0.089	32%	0.32	C	S	.	.	S	Bend	trans	51	23.5	-169.2	-56.6	-163.9	-75.3	0	0	113.1	R385 D387 A474 A493 R494	R385-Q478 HydrophobicContact CB-CG 4.38Å; R385-Q478 HydrophobicContact CG-CG 4.34Å; D387-Q478 PolarHBondContact OD2-NE2 2.83Å; A474-Q478 WeakPolarHBondContact O-CA 3.49Å; A474-Q478 PolarHBondContact O-N 2.89Å; Q478-A493 CarbonylContact O-C 3.56Å; Q478-A493 PolarHBondContact O-N 2.95Å; Q478-R494 HydrophobicContact CB-CG 4.41Å
479	T	88.5	Confident	86	Confident	39 Å²	39	56.5 Å²	56.5	24%	0.239	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	151.7	179.5	56.7	0	0	0	0	109	Q477 L491	Q477-T479 WeakPolarHBondContact CB-OG1 3.41Å; Q477-T479 PolarHBondContact O-N 3.16Å; Q477-T479 PolarHBondContact O-OG1 2.94Å; T479-L491 CarbonylContact C-O 3.42Å; T479-L491 WeakPolarHBondContact CA-O 3.25Å
480	I	87.9	Confident	86.1	Confident	5 Å²	5	56.8 Å²	56.8	3%	0.026	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	119.3	178.1	-60.3	173.8	0	0	0	106.9	T428 A474 I482 L491 A493	T428-I480 HydrophobicContact CG2-CD1 3.91Å; T428-I480 HydrophobicContact CG2-CG2 4.48Å; A474-I480 HydrophobicContact CB-CD1 4.01Å; A474-I480 HydrophobicContact CB-CG1 3.81Å; I480-I482 HydrophobicContact CG2-CD1 4.44Å; I480-I482 HydrophobicContact CG2-CG1 4.11Å; I480-L491 PolarHBondContact N-O 3.35Å; I480-L491 PolarHBondContact O-N 3.03Å; I480-A493 HydrophobicContact CD1-CB 3.95Å; I480-A493 HydrophobicContact CG1-CB 4.14Å
481	S	86.6	Confident	86.3	Confident	62 Å²	62	57.5 Å²	57.5	43%	0.434	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	124	176.5	67	0	0	0	0	110.8	E473	E473-S481 WeakPolarHBondContact OE1-CB 3.37Å; E473-S481 PolarHBondContact OE1-N 3.37Å; E473-S481 PolarHBondContact OE1-OG 2.85Å
482	I	86.1	Confident	86.2	Confident	13 Å²	13	61.9 Å²	61.9	7%	0.067	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	121.4	177.1	-58.3	179.3	0	0	0	108.5	A429 V431 I480 K484 K488 A489 L491	A429-I482 HydrophobicContact CB-CD1 3.28Å; V431-I482 HydrophobicContact CG2-CG2 3.98Å; I480-I482 HydrophobicContact CG2-CD1 4.44Å; I480-I482 HydrophobicContact CG2-CG1 4.11Å; I482-K484 HydrophobicContact CG2-CB 4.24Å; I482-K484 HydrophobicContact CG2-CD 4.35Å; I482-K484 HydrophobicContact CG2-CG 4.21Å; I482-K488 WeakPolarHBondContact O-CA 3.45Å; I482-A489 PolarHBondContact N-O 2.78Å; I482-A489 PolarHBondContact O-N 3.34Å; I482-L491 HydrophobicContact CD1-CD1 4.01Å
483	T	86.1	Confident	86.2	Confident	106 Å²	106	59.4 Å²	59.4	65%	0.65	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.3	89	171	-53.9	0	0	0	0	108.5	V487	T483-V487 WeakPolarHBondContact CA-O 3.32Å
484	K	86.3	Confident	86.2	Confident	135 Å²	135	61.7 Å²	61.7	59%	0.587	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.9	145.2	-178.9	-71.2	-177.4	-177.7	170.6	0	110.7	V431 I482 G486 V487	V431-K484 HydrophobicContact CG2-CB 4.1Å; I482-K484 HydrophobicContact CG2-CB 4.24Å; I482-K484 HydrophobicContact CG2-CD 4.35Å; I482-K484 HydrophobicContact CG2-CG 4.21Å; K484-G486 PolarHBondContact O-N 2.95Å; K484-G486 VanDerWaalsContact O-N 3.07Å; K484-V487 PolarHBondContact N-O 3.39Å; K484-V487 VanDerWaalsContact N-O 3.1Å; K484-V487 PolarHBondContact O-N 2.85Å
485	A	83.9	Confident	86.3	Confident	57 Å²	57	62 Å²	62	47%	0.471	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.7	35.1	174.7	0	0	0	0	0	115.1	V431 F440 V487	V431-A485 HydrophobicContact CG1-CB 4.15Å; F440-A485 HydrophobicContact CB-CB 4.42Å; F440-A485 HydrophobicContact CD1-CB 3.87Å; F440-A485 HydrophobicContact CD2-CB 3.95Å; F440-A485 HydrophobicContact CE1-CB 4.05Å; F440-A485 HydrophobicContact CE2-CB 4.13Å; F440-A485 HydrophobicContact CG-CB 3.82Å; F440-A485 HydrophobicContact CZ-CB 4.17Å; A485-V487 VanDerWaalsContact C-N 3.26Å; A485-V487 PolarHBondContact O-N 3.04Å
486	G	81	Confident	86.4	Confident	89 Å²	89	61.8 Å²	61.8	92%	0.918	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.4	-3.4	-179	0	0	0	0	0	115	K484	K484-G486 PolarHBondContact O-N 2.95Å; K484-G486 VanDerWaalsContact O-N 3.07Å
487	V	83.7	Confident	86.9	Confident	36 Å²	36	58 Å²	58	22%	0.218	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	117.7	174.9	-174.2	0	0	0	0	109	F440 I442 T483 K484 A485 A489	F440-V487 HydrophobicContact CB-CG2 4.18Å; I442-V487 HydrophobicContact CD1-CG1 3.73Å; I442-V487 HydrophobicContact CG1-CG1 4.01Å; T483-V487 WeakPolarHBondContact CA-O 3.32Å; K484-V487 PolarHBondContact N-O 3.39Å; K484-V487 VanDerWaalsContact N-O 3.1Å; K484-V487 PolarHBondContact O-N 2.85Å; A485-V487 VanDerWaalsContact C-N 3.26Å; A485-V487 PolarHBondContact O-N 3.04Å; V487-A489 HydrophobicContact CG1-CB 4.38Å
488	K	86.9	Confident	87.4	Confident	177 Å²	177	52.9 Å²	52.9	77%	0.77	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.7	104.1	170.7	-176.1	179.7	-179.8	-177.9	0	108.1	I482	I482-K488 WeakPolarHBondContact O-CA 3.45Å
489	A	85.5	Confident	87.7	Confident	23 Å²	23	52 Å²	52	19%	0.19	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	144.3	179.9	0	0	0	0	0	110.7	I442 I482 V487	I442-A489 HydrophobicContact CD1-CB 3.52Å; I482-A489 PolarHBondContact N-O 2.78Å; I482-A489 PolarHBondContact O-N 3.34Å; V487-A489 HydrophobicContact CG1-CB 4.38Å
490	T	87.1	Confident	87.9	Confident	106 Å²	106	50.1 Å²	50.1	65%	0.65	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.4	117.9	171	49.2	0	0	0	0	107.6
491	L	86.9	Confident	88.1	Confident	33 Å²	33	49.9 Å²	49.9	17%	0.173	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	138.4	-173	-59.8	163.4	0	0	0	108.5	A429 I442 M448 T479 I480 I482	A429-L491 HydrophobicContact CB-CD1 3.79Å; I442-L491 HydrophobicContact CD1-CD1 4.5Å; I442-L491 HydrophobicContact CG2-CD1 3.97Å; M448-L491 HydrophobicContact CE-CB 3.79Å; M448-L491 HydrophobicContact CE-CD1 3.61Å; M448-L491 HydrophobicContact CE-CD2 3.79Å; M448-L491 HydrophobicContact CE-CG 3.89Å; M448-L491 HydrophobicContact SD-CB 3.93Å; M448-L491 HydrophobicContact SD-CD1 3.51Å; M448-L491 VanDerWaalsContact SD-CD1 3.51Å; M448-L491 HydrophobicContact SD-CG 4.2Å; T479-L491 CarbonylContact C-O 3.42Å; T479-L491 WeakPolarHBondContact CA-O 3.25Å; I480-L491 PolarHBondContact N-O 3.35Å; I480-L491 PolarHBondContact O-N 3.03Å; I482-L491 HydrophobicContact CD1-CD1 4.01Å
492	N	86.8	Confident	88.4	Confident	92 Å²	92	48.9 Å²	48.9	49%	0.492	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	141.8	178.3	-63.5	-21.8	0	0	0	110.1
493	A	86.3	Confident	88.6	Confident	2 Å²	2	48.4 Å²	48.4	2%	0.017	28%	0.279	C	S	.	.			trans	-138.8	68.1	178	0	0	0	0	0	109.4	Q478 I480 T495	Q478-A493 CarbonylContact O-C 3.56Å; Q478-A493 PolarHBondContact O-N 2.95Å; I480-A493 HydrophobicContact CD1-CB 3.95Å; I480-A493 HydrophobicContact CG1-CB 4.14Å; A493-T495 VanDerWaalsContact C-N 3.27Å; A493-T495 PolarHBondContact O-N 3Å
494	R	87.6	Confident	88.7	Confident	99 Å²	99	47.8 Å²	47.8	37%	0.374	28%	0.275	S	S	.	.			trans	-85.8	72	-179.2	-57	169.3	-68	-176.3	-0.6	109.1	D451 N452 Q478	D451-R494 WeakPolarHBondContact OD1-CA 3.3Å; D451-R494 VanDerWaalsContact OD1-CB 3.23Å; D451-R494 WeakPolarHBondContact OD1-CB 3.32Å; D451-R494 PolarHBondContact OD1-N 2.98Å; D451-R494 IonicContact OD1-NE 2.64Å; D451-R494 PolarHBondContact OD1-NE 3.25Å; D451-R494 IonicContact OD2-CZ 3.19Å; D451-R494 IonicContact OD2-NE 3.75Å; D451-R494 PolarHBondContact OD2-NE 3.19Å; D451-R494 IonicContact OD2-NH2 2.79Å; D451-R494 PolarHBondContact OD2-NH2 2.88Å; N452-R494 VanDerWaalsContact CA-O 3.25Å; N452-R494 WeakPolarHBondContact CA-O 3.27Å; N452-R494 PolarHBondContact N-O 3.4Å; N452-R494 PolarHBondContact ND2-NH2 3.42Å; N452-R494 PolarHBondContact OD1-NE 3.13Å; Q478-R494 HydrophobicContact CB-CG 4.41Å
495	T	89.6	Confident	88.7	Confident	11 Å²	11	45.3 Å²	45.3	7%	0.067	28%	0.275	C	S	.	.			trans	-122.8	138.5	-176.3	64.5	0	0	0	0	111	L447 A450 A493	L447-T495 WeakPolarHBondContact O-CG2 3.42Å; A450-T495 HydrophobicContact CB-CG2 4Å; A450-T495 WeakPolarHBondContact O-CG2 3.16Å; A493-T495 VanDerWaalsContact C-N 3.27Å; A493-T495 PolarHBondContact O-N 3Å
496	S	92.3	Very high	88.7	Confident	4 Å²	4	43.9 Å²	43.9	3%	0.028	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	136.7	163.5	173.1	0	0	0	0	109.6	M369 V388 G453 V454 C455	M369-S496 WeakPolarHBondContact CG-OG 3.36Å; V388-S496 PolarHBondContact O-OG 3.01Å; G453-S496 PolarHBondContact O-N 2.63Å; V454-S496 CarbonylContact C-O 3.57Å; V454-S496 WeakPolarHBondContact CA-O 3.35Å; C455-S496 PolarHBondContact N-O 3.34Å
497	I	93.8	Very high	89	Confident	3 Å²	3	47.2 Å²	47.2	2%	0.015	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	124.6	177.9	-57.8	-175.8	0	0	0	109.9	N389 V390 L447 C455 I457 I471 M475 A499 F528	N389-I497 PolarHBondContact OD1-N 3.15Å; V390-I497 PolarHBondContact N-O 3.38Å; L447-I497 HydrophobicContact CD2-CD1 4.41Å; C455-I497 WeakPolarHBondContact O-CA 3Å; I457-I497 HydrophobicContact CD1-CG2 4.06Å; I471-I497 HydrophobicContact CG2-CD1 4.07Å; M475-I497 HydrophobicContact CE-CD1 4.29Å; M475-I497 HydrophobicContact CG-CD1 3.41Å; M475-I497 VanDerWaalsContact CG-CD1 3.41Å; M475-I497 HydrophobicContact SD-CD1 3.86Å; I497-A499 HydrophobicContact CG2-CB 4.4Å; I497-F528 HydrophobicContact CG2-CE1 4.2Å; I497-F528 HydrophobicContact CG2-CZ 4.35Å
498	L	95	Very high	89.1	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	106.9	166	-178.5	61.8	0	0	0	108.8	I366 M369 V390 I392 L404 V407 V454 C455 C456 I457	I366-L498 HydrophobicContact CG1-CD1 4.32Å; M369-L498 HydrophobicContact CE-CB 4.12Å; M369-L498 HydrophobicContact CE-CD2 4.25Å; M369-L498 HydrophobicContact SD-CB 3.88Å; M369-L498 HydrophobicContact SD-CD1 4.13Å; M369-L498 HydrophobicContact SD-CG 4.47Å; V390-L498 HydrophobicContact CB-CD1 3.97Å; V390-L498 HydrophobicContact CG1-CD1 4.02Å; V390-L498 WeakPolarHBondContact O-CA 3.38Å; I392-L498 HydrophobicContact CD1-CD1 4.13Å; I392-L498 HydrophobicContact CG1-CD1 4.41Å; L404-L498 HydrophobicContact CD1-CD2 3.99Å; L404-L498 HydrophobicContact CD1-CG 4.03Å; L404-L498 HydrophobicContact CG-CD2 4.06Å; L404-L498 HydrophobicContact CG-CG 4.21Å; V407-L498 HydrophobicContact CB-CD2 4.21Å; V407-L498 HydrophobicContact CG1-CD2 4.34Å; V407-L498 HydrophobicContact CG2-CD2 4Å; V454-L498 HydrophobicContact CG1-CB 4.18Å; C455-L498 PolarHBondContact O-N 3.47Å; C456-L498 CarbonylContact C-O 3.53Å; C456-L498 WeakPolarHBondContact CA-O 3.2Å; I457-L498 PolarHBondContact N-O 3.46Å
499	A	93.8	Very high	88.9	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	139.6	-178.2	0	0	0	0	0	111.5	V390 C391 I392 I457 F460 I497 F528	V390-A499 PolarHBondContact O-N 3.11Å; C391-A499 WeakPolarHBondContact CA-O 3.32Å; C391-A499 HydrophobicContact CB-CB 4.5Å; I392-A499 PolarHBondContact N-O 3.42Å; I457-A499 WeakPolarHBondContact O-CA 3.34Å; F460-A499 HydrophobicContact CB-CB 4.14Å; F460-A499 HydrophobicContact CD1-CB 4.43Å; F460-A499 HydrophobicContact CD2-CB 4.07Å; F460-A499 HydrophobicContact CG-CB 3.97Å; I497-A499 HydrophobicContact CG2-CB 4.4Å; A499-F528 HydrophobicContact CB-CE1 3.93Å; A499-F528 HydrophobicContact CB-CZ 3.8Å
500	A	93.6	Very high	88.7	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	132.1	166.1	0	0	0	0	0	110	I392 K400 L404 I457 E459 F460	I392-A500 CarbonylContact O-C 3.58Å; I392-A500 WeakPolarHBondContact O-CA 3.43Å; K400-A500 HydrophobicContact CB-CB 4.35Å; L404-A500 HydrophobicContact CD1-CB 3.94Å; L404-A500 HydrophobicContact CD2-CB 4.04Å; I457-A500 PolarHBondContact O-N 2.96Å; E459-A500 PolarHBondContact N-O 2.71Å; F460-A500 WeakPolarHBondContact CB-O 3.49Å; F460-A500 PolarHBondContact N-O 3.15Å
501	A	92.3	Very high	88.3	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	154.5	179.4	0	0	0	0	0	111.7	I392 V393 G394 K400 D461	I392-A501 PolarHBondContact O-N 3.48Å; V393-A501 WeakPolarHBondContact CA-O 3.17Å; V393-A501 HydrophobicContact CG2-CB 4.34Å; G394-A501 PolarHBondContact N-O 3.3Å; K400-A501 PolarHBondContact NZ-O 2.82Å; D461-A501 HydrophobicContact CB-CB 4.49Å
502	N	91.5	Very high	88	Confident	40 Å²	40	44.3 Å²	44.3	21%	0.214	23%	0.226	C	C	.	.			trans	-108.4	147.1	172.9	-63.9	-50.4	0	0	0	110.6	K400 D461	K400-N502 PolarHBondContact NZ-OD1 2.69Å; D461-N502 PolarHBondContact OD1-N 3.09Å
503	P	91.4	Very high	87.6	Confident	3 Å²	3	41.5 Å²	41.5	2%	0.019	21%	0.213	C	C	.	.			trans	-66.6	152.3	170.2	28.8	-34.4	0	0	0	110.8	G394 S505 G506 N517	G394-P503 WeakPolarHBondContact O-CD 3.48Å; P503-S505 VanDerWaalsContact C-N 3.33Å; P503-S505 PolarHBondContact O-N 3.38Å; P503-G506 PolarHBondContact O-N 3.25Å; P503-N517 WeakPolarHBondContact CA-O 3.3Å
504	V	88	Confident	87.2	Confident	94 Å²	94	42 Å²	42	57%	0.57	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-40.8	-174	177.4	0	0	0	0	112.4	G506 N517 N519	V504-G506 VanDerWaalsContact C-N 3.31Å; V504-G506 PolarHBondContact O-N 3.37Å; V504-N517 WeakPolarHBondContact CG2-O 3.09Å; V504-N517 PolarHBondContact N-O 2.7Å; V504-N519 HydrophobicContact CG2-CB 4.14Å
505	S	84.9	Confident	86.9	Confident	83 Å²	83	43.4 Å²	43.4	58%	0.58	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85	4.7	178.8	41.1	0	0	0	0	114.1	P503 R507	P503-S505 VanDerWaalsContact C-N 3.33Å; P503-S505 PolarHBondContact O-N 3.38Å; S505-R507 PolarHBondContact O-N 2.65Å; S505-R507 PolarHBondContact OG-O 2.52Å
506	G	85.3	Confident	86.6	Confident	27 Å²	27	49 Å²	49	28%	0.278	25%	0.25	S	C	.	.	S	Bend	trans	74.1	-24.9	-173.3	0	0	0	0	0	114.4	P396 P503 V504	P396-G506 WeakPolarHBondContact CD-O 3.45Å; P503-G506 PolarHBondContact O-N 3.25Å; V504-G506 VanDerWaalsContact C-N 3.31Å; V504-G506 PolarHBondContact O-N 3.37Å
507	R	86.3	Confident	86.2	Confident	158 Å²	158	49 Å²	49	60%	0.596	25%	0.249	S	C	*	.	S	Bend	trans	-112.5	144	166.5	-69.4	-169.2	-177.8	-98.1	4	111.8	D395 S505	D395-R507 VanDerWaalsContact OD1-CA 3.26Å; D395-R507 WeakPolarHBondContact OD1-CA 3.42Å; S505-R507 PolarHBondContact O-N 2.65Å; S505-R507 PolarHBondContact OG-O 2.52Å
508	Y	86	Confident	85.8	Confident	20 Å²	20	49 Å²	49	8%	0.078	25%	0.249	C	C	.	.			trans	-78.7	116.4	176.3	-169	-89.7	0	0	0	111.3	D395 R510 L514 N517 I533 V535	D395-Y508 PolarHBondContact OD1-N 3.41Å; Y508-R510 HydrophobicContact CD1-CG 4.37Å; Y508-R510 HydrophobicContact CE1-CG 4.44Å; Y508-L514 HydrophobicContact CE2-CD1 4.09Å; Y508-N517 HydrophobicContact CD2-CB 4.41Å; Y508-N517 HydrophobicContact CE2-CB 4.02Å; Y508-I533 HydrophobicContact CD1-CG2 4.13Å; Y508-I533 HydrophobicContact CD2-CD1 4.5Å; Y508-I533 HydrophobicContact CD2-CG2 3.69Å; Y508-I533 HydrophobicContact CE1-CD1 4.47Å; Y508-I533 HydrophobicContact CE1-CG2 4.15Å; Y508-I533 HydrophobicContact CE2-CD1 3.54Å; Y508-I533 HydrophobicContact CE2-CG2 3.71Å; Y508-I533 HydrophobicContact CG-CG2 3.91Å; Y508-I533 WeakPolarHBondContact OH-CD1 3.5Å; Y508-V535 HydrophobicContact CD1-CG2 3.98Å; Y508-V535 HydrophobicContact CG-CG2 4.42Å
509	D	83.4	Confident	85.3	Confident	48 Å²	48	54.3 Å²	54.3	26%	0.257	28%	0.278	S	S	.	.			trans	-94.1	114.4	179.3	-175	-6.9	0	0	0	110.6	S511 K512 N517	D509-S511 PolarHBondContact O-N 2.76Å; D509-S511 WeakPolarHBondContact OD1-CB 3.41Å; D509-S511 PolarHBondContact OD1-N 2.91Å; D509-S511 PolarHBondContact OD1-OG 2.92Å; D509-S511 PolarHBondContact OD2-OG 3.18Å; D509-K512 HydrophobicContact CB-CD 4.41Å; D509-K512 PolarHBondContact O-N 3.1Å; D509-K512 WeakPolarHBondContact OD2-CE 3.45Å; D509-K512 IonicContact OD2-NZ 3.49Å; D509-K512 PolarHBondContact OD2-NZ 3.19Å; D509-N517 PolarHBondContact O-ND2 2.78Å
510	R	81.3	Confident	84.9	Confident	99 Å²	99	54.9 Å²	54.9	37%	0.374	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-20.3	-178.6	-64.6	-174.4	-177.6	177.7	4.2	113.6	Y508 K512 E537 E659	Y508-R510 HydrophobicContact CD1-CG 4.37Å; Y508-R510 HydrophobicContact CE1-CG 4.44Å; R510-K512 VanDerWaalsContact C-N 3.3Å; R510-E537 IonicContact CZ-OE1 2.95Å; R510-E537 IonicContact NH1-OE1 3.58Å; R510-E537 IonicContact NH2-OE1 2.93Å; R510-E537 PolarHBondContact NH2-OE1 3.49Å; R510-E659 IonicContact NH1-OE2 3.35Å
511	S	78.1	Confident	84.5	Confident	52 Å²	52	57.4 Å²	57.4	36%	0.364	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-24.4	-179.8	71.6	0	0	0	0	112.8	D509	D509-S511 PolarHBondContact O-N 2.76Å; D509-S511 WeakPolarHBondContact OD1-CB 3.41Å; D509-S511 PolarHBondContact OD1-N 2.91Å; D509-S511 PolarHBondContact OD1-OG 2.92Å; D509-S511 PolarHBondContact OD2-OG 3.18Å
512	K	80.4	Confident	84	Confident	96 Å²	96	59.2 Å²	59.2	42%	0.417	31%	0.311	S	S	.	.	S	Bend	trans	-95.9	152.9	-177.4	-71.2	175.1	-173.7	124.7	0	111.6	D509 R510 Q516 N517	D509-K512 HydrophobicContact CB-CD 4.41Å; D509-K512 PolarHBondContact O-N 3.1Å; D509-K512 WeakPolarHBondContact OD2-CE 3.45Å; D509-K512 IonicContact OD2-NZ 3.49Å; D509-K512 PolarHBondContact OD2-NZ 3.19Å; R510-K512 VanDerWaalsContact C-N 3.3Å; K512-Q516 HydrophobicContact CB-CB 4.41Å; K512-N517 WeakPolarHBondContact CB-OD1 3.08Å; K512-N517 PolarHBondContact O-ND2 3.35Å
513	S	79.4	Confident	83.7	Confident	33 Å²	33	60.4 Å²	60.4	23%	0.231	32%	0.321	C	S	.	.			trans	-66.4	151	172.6	66.7	0	0	0	0	111.2	K515 Q516 N517	S513-K515 PolarHBondContact O-N 2.7Å; S513-K515 VanDerWaalsContact O-N 3.12Å; S513-Q516 PolarHBondContact O-N 3.19Å; S513-Q516 VanDerWaalsContact OG-CD 3.31Å; S513-Q516 WeakPolarHBondContact OG-CG 3.43Å; S513-Q516 PolarHBondContact OG-OE1 3.5Å; S513-N517 PolarHBondContact O-N 3.45Å
514	L	78.2	Confident	83.5	Confident	13 Å²	13	60.3 Å²	60.3	7%	0.068	32%	0.32	C	S	.	.	H	α-helix	trans	-52	-38.6	177.5	-173.9	66.3	0	0	0	112.7	Y508 Q516 N517 I518 M525 I533 A612	Y508-L514 HydrophobicContact CE2-CD1 4.09Å; L514-Q516 VanDerWaalsContact C-N 3.29Å; L514-Q516 PolarHBondContact O-N 3.49Å; L514-N517 PolarHBondContact O-N 3.07Å; L514-I518 HydrophobicContact CD1-CD1 3.48Å; L514-I518 VanDerWaalsContact CD1-CD1 3.48Å; L514-I518 HydrophobicContact CD1-CG1 4.19Å; L514-I518 HydrophobicContact CG-CD1 3.95Å; L514-I518 PolarHBondContact O-N 3.38Å; L514-I518 VanDerWaalsContact O-N 3.13Å; L514-M525 HydrophobicContact CB-CE 4.41Å; L514-M525 HydrophobicContact CD2-CE 3.54Å; L514-M525 HydrophobicContact CG-CE 3.77Å; L514-I533 HydrophobicContact CD1-CD1 3.26Å; L514-A612 HydrophobicContact CB-CB 4.04Å
515	K	80.5	Confident	83.3	Confident	128 Å²	128	56 Å²	56	56%	0.557	29%	0.294	S	S	*	.	H	α-helix	trans	-65.2	-30.8	179.3	-173.7	-178.5	177	-171.7	0	112.9	S513	S513-K515 PolarHBondContact O-N 2.7Å; S513-K515 VanDerWaalsContact O-N 3.12Å
516	Q	82.8	Confident	83.3	Confident	129 Å²	129	52.6 Å²	52.6	60%	0.603	27%	0.27	S	S	*	.	H	α-helix	trans	-83.6	-30.7	176.5	-71.4	163.4	-34.4	0	0	111.3	K512 S513 L514 I518	K512-Q516 HydrophobicContact CB-CB 4.41Å; S513-Q516 PolarHBondContact O-N 3.19Å; S513-Q516 VanDerWaalsContact OG-CD 3.31Å; S513-Q516 WeakPolarHBondContact OG-CG 3.43Å; S513-Q516 PolarHBondContact OG-OE1 3.5Å; L514-Q516 VanDerWaalsContact C-N 3.29Å; L514-Q516 PolarHBondContact O-N 3.49Å; Q516-I518 VanDerWaalsContact C-N 3.32Å
517	N	84.7	Confident	83.4	Confident	3 Å²	3	52.1 Å²	52.1	2%	0.016	26%	0.26	C	S	.	.	H	α-helix	trans	-72.8	-22.6	178.1	-77.1	-25	0	0	0	113.9	P503 V504 Y508 D509 K512 S513 L514	P503-N517 WeakPolarHBondContact CA-O 3.3Å; V504-N517 WeakPolarHBondContact CG2-O 3.09Å; V504-N517 PolarHBondContact N-O 2.7Å; Y508-N517 HydrophobicContact CD2-CB 4.41Å; Y508-N517 HydrophobicContact CE2-CB 4.02Å; D509-N517 PolarHBondContact O-ND2 2.78Å; K512-N517 WeakPolarHBondContact CB-OD1 3.08Å; K512-N517 PolarHBondContact O-ND2 3.35Å; S513-N517 PolarHBondContact O-N 3.45Å; L514-N517 PolarHBondContact O-N 3.07Å
518	I	85.3	Confident	83.5	Confident	3 Å²	3	44.6 Å²	44.6	2%	0.015	23%	0.232	C	C	.	.	S	Bend	trans	-128.1	133.6	-175.4	-44.9	173.7	0	0	0	110.4	V393 L514 Q516 L520	V393-I518 HydrophobicContact CB-CD1 4.22Å; V393-I518 HydrophobicContact CG1-CD1 3.73Å; V393-I518 HydrophobicContact CG1-CG1 4.09Å; V393-I518 HydrophobicContact CG2-CD1 3.55Å; L514-I518 HydrophobicContact CD1-CD1 3.48Å; L514-I518 VanDerWaalsContact CD1-CD1 3.48Å; L514-I518 HydrophobicContact CD1-CG1 4.19Å; L514-I518 HydrophobicContact CG-CD1 3.95Å; L514-I518 PolarHBondContact O-N 3.38Å; L514-I518 VanDerWaalsContact O-N 3.13Å; Q516-I518 VanDerWaalsContact C-N 3.32Å; I518-L520 HydrophobicContact CG2-CB 4.28Å; I518-L520 HydrophobicContact CG2-CD1 3.81Å; I518-L520 HydrophobicContact CG2-CG 3.65Å; I518-L520 PolarHBondContact O-N 2.97Å
519	N	85.3	Confident	83.7	Confident	112 Å²	112	43.8 Å²	43.8	60%	0.599	23%	0.229	S	C	*	.			trans	-79.4	57	175.1	-169.9	35.7	0	0	0	112.8	V504	V504-N519 HydrophobicContact CG2-CB 4.14Å
520	L	84.2	Confident	84	Confident	12 Å²	12	41.5 Å²	41.5	6%	0.063	22%	0.217	C	C	.	.			trans	-118.8	149.2	176.4	-67.2	178.4	0	0	0	112	F460 I518 M525	F460-L520 HydrophobicContact CD1-CD1 3.91Å; F460-L520 HydrophobicContact CD1-CD2 3.52Å; F460-L520 HydrophobicContact CD1-CG 4.36Å; F460-L520 HydrophobicContact CE1-CD1 3.99Å; F460-L520 HydrophobicContact CE1-CD2 3.49Å; F460-L520 VanDerWaalsContact CE1-CD2 3.49Å; F460-L520 HydrophobicContact CE1-CG 4.39Å; I518-L520 HydrophobicContact CG2-CB 4.28Å; I518-L520 HydrophobicContact CG2-CD1 3.81Å; I518-L520 HydrophobicContact CG2-CG 3.65Å; I518-L520 PolarHBondContact O-N 2.97Å; L520-M525 HydrophobicContact CB-CG 4.02Å; L520-M525 HydrophobicContact CB-SD 4.45Å
521	T	85.3	Confident	84.4	Confident	53 Å²	53	37.9 Å²	37.9	33%	0.325	20%	0.204	S	C	.	.			trans	-76.3	142.9	176.9	67	0	0	0	0	111.1	L465 P523 I524 M525	L465-T521 HydrophobicContact CD2-CG2 4.3Å; T521-P523 VanDerWaalsContact C-CD 3.4Å; T521-P523 VanDerWaalsContact C-N 3.34Å; T521-I524 PolarHBondContact O-N 3.12Å; T521-I524 VanDerWaalsContact O-N 3.15Å; T521-I524 WeakPolarHBondContact OG1-CD1 3.42Å; T521-I524 WeakPolarHBondContact OG1-CG1 3.29Å; T521-M525 PolarHBondContact O-N 3.41Å; T521-M525 VanDerWaalsContact O-N 3.11Å
522	A	82.3	Confident	85	Confident	37 Å²	37	36 Å²	36	31%	0.306	19%	0.189	S	C	.	.	H	α-helix	trans	-56.8	-36.7	179.7	0	0	0	0	0	114.5	I524 M525 S526 W613	A522-I524 PolarHBondContact O-N 3.21Å; A522-M525 PolarHBondContact O-N 3.37Å; A522-S526 PolarHBondContact O-N 3.46Å; A522-W613 HydrophobicContact CB-CH2 4.42Å
523	P	84.4	Confident	85.3	Confident	65 Å²	65	32.8 Å²	32.8	42%	0.422	18%	0.176	S	C	.	.	H	α-helix	trans	-58.7	-45.8	174.6	-25.5	36	0	0	0	112.5	T521 S526 R527	T521-P523 VanDerWaalsContact C-CD 3.4Å; T521-P523 VanDerWaalsContact C-N 3.34Å; P523-S526 PolarHBondContact O-N 3.24Å; P523-S526 PolarHBondContact O-OG 3.45Å; P523-R527 WeakPolarHBondContact O-CG 3.48Å
524	I	87.8	Confident	85.7	Confident	2 Å²	2	31.6 Å²	31.6	1%	0.01	17%	0.167	C	C	.	.	H	α-helix	trans	-65.3	-44.7	179.3	-67.6	174.6	0	0	0	110.8	F460 Q468 H472 T521 A522 S526 R527 F528	F460-I524 HydrophobicContact CE1-CG2 3.86Å; F460-I524 HydrophobicContact CZ-CG2 3.91Å; Q468-I524 HydrophobicContact CB-CD1 3.75Å; Q468-I524 HydrophobicContact CG-CD1 4.16Å; H472-I524 HydrophobicContact CB-CG1 4.22Å; T521-I524 PolarHBondContact O-N 3.12Å; T521-I524 VanDerWaalsContact O-N 3.15Å; T521-I524 WeakPolarHBondContact OG1-CD1 3.42Å; T521-I524 WeakPolarHBondContact OG1-CG1 3.29Å; A522-I524 PolarHBondContact O-N 3.21Å; I524-S526 PolarHBondContact O-N 3.37Å; I524-R527 WeakPolarHBondContact O-CB 3.13Å; I524-R527 PolarHBondContact O-N 3.09Å; I524-F528 HydrophobicContact CG2-CD2 4.16Å; I524-F528 HydrophobicContact CG2-CE2 3.64Å; I524-F528 WeakPolarHBondContact O-CD2 3.4Å
525	M	84.3	Confident	86.2	Confident	2 Å²	2	33.4 Å²	33.4	1%	0.01	18%	0.179	C	C	.	.	H	α-helix	trans	-56.5	-39.6	179.7	-69.1	179.4	71.8	0	0	112.1	L514 L520 T521 A522 R527 F528 F531 W613	L514-M525 HydrophobicContact CB-CE 4.41Å; L514-M525 HydrophobicContact CD2-CE 3.54Å; L514-M525 HydrophobicContact CG-CE 3.77Å; L520-M525 HydrophobicContact CB-CG 4.02Å; L520-M525 HydrophobicContact CB-SD 4.45Å; T521-M525 PolarHBondContact O-N 3.41Å; T521-M525 VanDerWaalsContact O-N 3.11Å; A522-M525 PolarHBondContact O-N 3.37Å; M525-R527 PolarHBondContact O-N 2.92Å; M525-F528 PolarHBondContact O-N 3.12Å; M525-F531 HydrophobicContact CB-CZ 4.19Å; M525-F531 HydrophobicContact CG-CZ 4.48Å; M525-F531 WeakPolarHBondContact O-CE2 3.15Å; M525-F531 WeakPolarHBondContact O-CZ 3.46Å; M525-W613 HydrophobicContact CB-CH2 3.7Å; M525-W613 HydrophobicContact CB-CZ2 4.38Å; M525-W613 HydrophobicContact CB-CZ3 3.89Å; M525-W613 HydrophobicContact CE-CE3 3.96Å; M525-W613 HydrophobicContact CE-CZ3 3.86Å; M525-W613 HydrophobicContact SD-CZ3 3.93Å
526	S	83.3	Confident	86.5	Confident	13 Å²	13	30.7 Å²	30.7	9%	0.091	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-8.9	179	71.8	0	0	0	0	115.4	A522 P523 I524 R618	A522-S526 PolarHBondContact O-N 3.46Å; P523-S526 PolarHBondContact O-N 3.24Å; P523-S526 PolarHBondContact O-OG 3.45Å; I524-S526 PolarHBondContact O-N 3.37Å; S526-R618 WeakPolarHBondContact O-CD 3.36Å; S526-R618 PolarHBondContact OG-NH1 3.06Å
527	R	87.8	Confident	86.6	Confident	16 Å²	16	30 Å²	30	6%	0.06	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-19	-179.9	-63.3	-69.3	-177.6	-161.8	3.9	113.9	R385 N389 M475 E476 P523 I524 M525 R618	R385-R527 PolarHBondContact NH1-O 3.38Å; R385-R527 PolarHBondContact NH2-O 3.43Å; R385-R527 VanDerWaalsContact NH2-O 3.15Å; N389-R527 PolarHBondContact ND2-O 2.94Å; M475-R527 HydrophobicContact CB-CB 4.45Å; M475-R527 HydrophobicContact CE-CB 3.7Å; M475-R527 HydrophobicContact SD-CB 4.32Å; E476-R527 VanDerWaalsContact CG-NH2 3.31Å; E476-R527 IonicContact OE1-CZ 3.61Å; E476-R527 IonicContact OE1-NH1 3.27Å; E476-R527 PolarHBondContact OE1-NH1 3.48Å; E476-R527 IonicContact OE1-NH2 3.55Å; E476-R527 PolarHBondContact OE1-NH2 3.23Å; E476-R527 IonicContact OE2-CZ 2.83Å; E476-R527 IonicContact OE2-NE 3.9Å; E476-R527 IonicContact OE2-NH1 3.66Å; E476-R527 PolarHBondContact OE2-NH1 2.78Å; E476-R527 IonicContact OE2-NH2 2.66Å; E476-R527 PolarHBondContact OE2-NH2 3.06Å; P523-R527 WeakPolarHBondContact O-CG 3.48Å; I524-R527 WeakPolarHBondContact O-CB 3.13Å; I524-R527 PolarHBondContact O-N 3.09Å; M525-R527 PolarHBondContact O-N 2.92Å; R527-R618 VanDerWaalsContact NH1-NH2 3.11Å
528	F	89.7	Confident	86.6	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.202	C	C	.	.			trans	-79.5	129.6	170.8	-75	-77.1	0	0	0	108.4	N389 C391 F460 M475 I497 A499 I524 M525 F531	N389-F528 HydrophobicContact CB-CD1 3.77Å; N389-F528 HydrophobicContact CB-CE1 4.24Å; C391-F528 HydrophobicContact CB-CB 4.4Å; C391-F528 HydrophobicContact CB-CD1 3.68Å; C391-F528 HydrophobicContact CB-CD2 4.37Å; C391-F528 HydrophobicContact CB-CE1 3.97Å; C391-F528 HydrophobicContact CB-CG 3.9Å; C391-F528 HydrophobicContact CB-CZ 4.43Å; F460-F528 HydrophobicContact CE1-CE2 4.08Å; F460-F528 HydrophobicContact CE1-CZ 4.32Å; F460-F528 HydrophobicContact CZ-CE2 4.19Å; F460-F528 HydrophobicContact CZ-CZ 4.21Å; M475-F528 HydrophobicContact CE-CD1 4.18Å; M475-F528 HydrophobicContact CE-CD2 4.14Å; M475-F528 HydrophobicContact CE-CE1 3.95Å; M475-F528 HydrophobicContact CE-CE2 3.92Å; M475-F528 HydrophobicContact CE-CG 4.27Å; M475-F528 HydrophobicContact CE-CZ 3.82Å; M475-F528 HydrophobicContact SD-CE2 4.47Å; M475-F528 HydrophobicContact SD-CZ 4.45Å; I497-F528 HydrophobicContact CG2-CE1 4.2Å; I497-F528 HydrophobicContact CG2-CZ 4.35Å; A499-F528 HydrophobicContact CB-CE1 3.93Å; A499-F528 HydrophobicContact CB-CZ 3.8Å; I524-F528 HydrophobicContact CG2-CD2 4.16Å; I524-F528 HydrophobicContact CG2-CE2 3.64Å; I524-F528 WeakPolarHBondContact O-CD2 3.4Å; M525-F528 PolarHBondContact O-N 3.12Å; F528-F531 HydrophobicContact CB-CD2 4.34Å; F528-F531 HydrophobicContact CB-CE1 4.33Å; F528-F531 HydrophobicContact CB-CE2 3.56Å; F528-F531 HydrophobicContact CB-CZ 3.54Å; F528-F531 HydrophobicContact CD2-CZ 4.05Å; F528-F531 HydrophobicContact CG-CZ 4.09Å
529	D	89.4	Confident	86.7	Confident	4 Å²	4	38.3 Å²	38.3	2%	0.021	22%	0.219	C	C	.	.	S	Bend	trans	-85.5	-31	-175.2	-60.8	-20.5	0	0	0	109.8	R385 V388 N389 S622 R625	R385-D529 IonicContact CZ-OD2 2.92Å; R385-D529 IonicContact NH2-OD1 3.07Å; R385-D529 PolarHBondContact NH2-OD1 3.14Å; R385-D529 IonicContact NH2-OD2 3.98Å; R385-D529 PolarHBondContact NH2-OD2 3.45Å; V388-D529 WeakPolarHBondContact CA-OD2 3.2Å; V388-D529 HydrophobicContact CG1-CB 4.01Å; N389-D529 PolarHBondContact N-OD2 3.37Å; N389-D529 PolarHBondContact O-N 3.19Å; D529-S622 WeakPolarHBondContact CB-OG 3.43Å; D529-S622 VanDerWaalsContact CG-OG 3.29Å; D529-S622 PolarHBondContact OD1-OG 2.85Å; D529-R625 IonicContact OD1-NH1 2.75Å; D529-R625 IonicContact OD2-NH1 3.93Å
530	L	89.6	Confident	87	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	131.8	177.8	-67.3	173.7	0	0	0	111.6	N389 V390 C391 F532 L626 L650 L651	N389-L530 PolarHBondContact O-N 3.05Å; V390-L530 HydrophobicContact CG2-CB 4.37Å; V390-L530 HydrophobicContact CG2-CD1 4.33Å; C391-L530 PolarHBondContact N-O 3.19Å; L530-F532 HydrophobicContact CB-CE2 4.04Å; L530-F532 HydrophobicContact CB-CZ 4.26Å; L530-F532 HydrophobicContact CD1-CE2 4.13Å; L530-F532 HydrophobicContact CD1-CZ 3.99Å; L530-L626 HydrophobicContact CD1-CD1 4.34Å; L530-L626 HydrophobicContact CD1-CD2 3.82Å; L530-L626 HydrophobicContact CD2-CD1 3.89Å; L530-L626 HydrophobicContact CG-CD1 4.18Å; L530-L626 HydrophobicContact CG-CD2 4.39Å; L530-L650 HydrophobicContact CD1-CD2 3.95Å; L530-L650 HydrophobicContact CD2-CD2 4.44Å; L530-L650 HydrophobicContact CD2-CG 4.35Å; L530-L651 HydrophobicContact CD2-CD1 4.21Å
531	F	89.6	Confident	87.3	Confident	23 Å²	23	45.8 Å²	45.8	10%	0.101	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	125	166.7	-76.4	-86.7	0	0	0	110.1	C391 V393 M525 F528 S654	C391-F531 HydrophobicContact CB-CD1 3.79Å; C391-F531 HydrophobicContact CB-CE1 3.71Å; C391-F531 HydrophobicContact CB-CZ 4.46Å; C391-F531 WeakPolarHBondContact O-CA 3.23Å; V393-F531 HydrophobicContact CG2-CD1 4.49Å; M525-F531 HydrophobicContact CB-CZ 4.19Å; M525-F531 HydrophobicContact CG-CZ 4.48Å; M525-F531 WeakPolarHBondContact O-CE2 3.15Å; M525-F531 WeakPolarHBondContact O-CZ 3.46Å; F528-F531 HydrophobicContact CB-CD2 4.34Å; F528-F531 HydrophobicContact CB-CE1 4.33Å; F528-F531 HydrophobicContact CB-CE2 3.56Å; F528-F531 HydrophobicContact CB-CZ 3.54Å; F528-F531 HydrophobicContact CD2-CZ 4.05Å; F528-F531 HydrophobicContact CG-CZ 4.09Å; F531-S654 WeakPolarHBondContact O-CA 3.2Å; F531-S654 WeakPolarHBondContact O-CB 3.4Å
532	F	90.5	Very high	87.4	Confident	12 Å²	12	45.7 Å²	45.7	5%	0.053	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	119.4	171.6	-65	-62.8	0	0	0	109.3	E361 V362 V390 C391 I392 V393 L530 L650	E361-F532 HydrophobicContact CB-CE1 4.29Å; E361-F532 WeakPolarHBondContact O-CZ 3.45Å; V362-F532 HydrophobicContact CB-CD2 4.4Å; V362-F532 HydrophobicContact CB-CG 4.35Å; V362-F532 HydrophobicContact CG1-CD2 4.16Å; V362-F532 HydrophobicContact CG1-CG 4.43Å; V362-F532 HydrophobicContact CG2-CB 3.66Å; V362-F532 HydrophobicContact CG2-CD1 4.06Å; V362-F532 HydrophobicContact CG2-CD2 4.26Å; V362-F532 HydrophobicContact CG2-CG 3.74Å; V390-F532 HydrophobicContact CG1-CD2 3.73Å; V390-F532 HydrophobicContact CG1-CE2 3.76Å; C391-F532 PolarHBondContact O-N 2.86Å; I392-F532 WeakPolarHBondContact CA-O 3.45Å; V393-F532 PolarHBondContact N-O 2.75Å; L530-F532 HydrophobicContact CB-CE2 4.04Å; L530-F532 HydrophobicContact CB-CZ 4.26Å; L530-F532 HydrophobicContact CD1-CE2 4.13Å; L530-F532 HydrophobicContact CD1-CZ 3.99Å; F532-L650 HydrophobicContact CE1-CD1 4.11Å; F532-L650 HydrophobicContact CZ-CD1 4.15Å; F532-L650 HydrophobicContact CZ-CG 4.42Å
533	I	87.7	Confident	87.7	Confident	29 Å²	29	47.5 Å²	47.5	15%	0.149	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	120.3	175	-47.2	-162.7	0	0	0	108.7	V393 Y508 L514 V535 I656	V393-I533 HydrophobicContact CB-CG1 4.39Å; V393-I533 CarbonylContact O-C 3.56Å; V393-I533 VanDerWaalsContact O-CA 3.24Å; V393-I533 WeakPolarHBondContact O-CA 3.45Å; Y508-I533 HydrophobicContact CD1-CG2 4.13Å; Y508-I533 HydrophobicContact CD2-CD1 4.5Å; Y508-I533 HydrophobicContact CD2-CG2 3.69Å; Y508-I533 HydrophobicContact CE1-CD1 4.47Å; Y508-I533 HydrophobicContact CE1-CG2 4.15Å; Y508-I533 HydrophobicContact CE2-CD1 3.54Å; Y508-I533 HydrophobicContact CE2-CG2 3.71Å; Y508-I533 HydrophobicContact CG-CG2 3.91Å; Y508-I533 WeakPolarHBondContact OH-CD1 3.5Å; L514-I533 HydrophobicContact CD1-CD1 3.26Å; I533-V535 HydrophobicContact CG2-CG2 4.12Å; I533-I656 HydrophobicContact CB-CD1 3.42Å; I533-I656 VanDerWaalsContact CB-CD1 3.42Å; I533-I656 HydrophobicContact CD1-CD1 3.4Å; I533-I656 HydrophobicContact CD1-CG1 4.48Å; I533-I656 HydrophobicContact CG1-CD1 3.35Å; I533-I656 HydrophobicContact CG2-CD1 4.32Å
534	L	88.1	Confident	88	Confident	8 Å²	8	52.6 Å²	52.6	4%	0.042	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	105.8	175.3	-59.2	-178.7	0	0	0	107.7	N359 V362 I392 V393 G394 D395 T398 K400	N359-L534 HydrophobicContact CB-CD2 4.09Å; N359-L534 WeakPolarHBondContact ND2-CD2 3.26Å; N359-L534 WeakPolarHBondContact OD1-CD2 3.46Å; V362-L534 HydrophobicContact CG2-CD2 3.83Å; I392-L534 HydrophobicContact CG2-CD1 3.73Å; I392-L534 HydrophobicContact CG2-CG 4.12Å; V393-L534 PolarHBondContact O-N 3.23Å; G394-L534 CarbonylContact C-O 3.5Å; G394-L534 WeakPolarHBondContact CA-O 2.97Å; D395-L534 PolarHBondContact N-O 3.29Å; T398-L534 HydrophobicContact CG2-CB 4.46Å; K400-L534 HydrophobicContact CG-CD1 3.98Å
535	V	87.3	Confident	88	Confident	51 Å²	51	53.8 Å²	53.8	31%	0.309	28%	0.283	S	S	.	.			trans	-95.9	130.1	173.1	-175.9	0	0	0	0	107.7	Y508 I533 E537	Y508-V535 HydrophobicContact CD1-CG2 3.98Å; Y508-V535 HydrophobicContact CG-CG2 4.42Å; I533-V535 HydrophobicContact CG2-CG2 4.12Å; V535-E537 HydrophobicContact CG1-CG 4.49Å; V535-E537 PolarHBondContact O-N 3.41Å
536	D	87.1	Confident	88.2	Confident	71 Å²	71	57.1 Å²	57.1	38%	0.38	30%	0.301	S	S	.	.			trans	-83.6	99.7	175.4	-172.1	28.6	0	0	0	109.5	D395 T398	D395-D536 HydrophobicContact CB-CB 3.96Å; D395-D536 PolarHBondContact OD2-N 3.16Å; T398-D536 HydrophobicContact CG2-CB 4.09Å
537	E	85.4	Confident	88.5	Confident	113 Å²	113	58.9 Å²	58.9	53%	0.528	32%	0.316	S	S	.	.			trans	-94.8	118.5	170.3	-68	-176.2	175.1	0	0	108.7	R510 V535 N539	R510-E537 IonicContact CZ-OE1 2.95Å; R510-E537 IonicContact NH1-OE1 3.58Å; R510-E537 IonicContact NH2-OE1 2.93Å; R510-E537 PolarHBondContact NH2-OE1 3.49Å; V535-E537 HydrophobicContact CG1-CG 4.49Å; V535-E537 PolarHBondContact O-N 3.41Å; E537-N539 PolarHBondContact O-N 3.45Å
538	C	84	Confident	88.6	Confident	111 Å²	111	65.8 Å²	65.8	75%	0.75	34%	0.342	S	S	*	.			trans	-64.4	97.6	176.4	-57.3	0	0	0	0	109.9
539	N	88.6	Confident	88.3	Confident	70 Å²	70	69.3 Å²	69.3	37%	0.374	36%	0.355	S	S	.	.			trans	-126.3	119	179.8	178.8	-13.5	0	0	0	109.6	E537 V541 T542 D543	E537-N539 PolarHBondContact O-N 3.45Å; N539-V541 PolarHBondContact O-N 3.05Å; N539-V541 VanDerWaalsContact O-N 3.13Å; N539-V541 PolarHBondContact OD1-N 2.91Å; N539-T542 WeakPolarHBondContact CB-OG1 3.25Å; N539-T542 PolarHBondContact O-N 3.41Å; N539-T542 VanDerWaalsContact O-N 3.15Å; N539-T542 PolarHBondContact O-OG1 2.8Å; N539-D543 WeakPolarHBondContact O-CB 3.26Å; N539-D543 VanDerWaalsContact O-CG 3.27Å; N539-D543 PolarHBondContact O-N 3.24Å
540	E	90.1	Very high	88.1	Confident	171 Å²	171	73.3 Å²	73.3	80%	0.799	38%	0.376	S	S	*	.	H	α-helix	trans	-57.5	-33.2	-175.5	-61.7	-174.3	169.2	0	0	112.9	Y544	E540-Y544 VanDerWaalsContact O-CB 3.23Å; E540-Y544 WeakPolarHBondContact O-CB 3.39Å; E540-Y544 PolarHBondContact O-N 3.26Å
541	V	91.2	Very high	88	Confident	111 Å²	111	77.4 Å²	77.4	67%	0.673	40%	0.4	S	S	*	.	H	α-helix	trans	-70.3	-43.7	-179	-177.8	0	0	0	0	111.1	N539 A545	N539-V541 PolarHBondContact O-N 3.05Å; N539-V541 VanDerWaalsContact O-N 3.13Å; N539-V541 PolarHBondContact OD1-N 2.91Å; V541-A545 PolarHBondContact O-N 3.21Å; V541-A545 VanDerWaalsContact O-N 3.11Å
542	T	87.1	Confident	87.8	Confident	51 Å²	51	78 Å²	78	31%	0.313	40%	0.404	S	S	.	.	H	α-helix	trans	-70	-39.5	178.2	50.4	0	0	0	0	110.9	N539 A545 I546	N539-T542 WeakPolarHBondContact CB-OG1 3.25Å; N539-T542 PolarHBondContact O-N 3.41Å; N539-T542 VanDerWaalsContact O-N 3.15Å; N539-T542 PolarHBondContact O-OG1 2.8Å; T542-A545 PolarHBondContact O-N 2.82Å; T542-I546 WeakPolarHBondContact O-CB 3.31Å; T542-I546 WeakPolarHBondContact O-CD1 3.47Å; T542-I546 WeakPolarHBondContact O-CG1 3.23Å; T542-I546 PolarHBondContact O-N 3.39Å
543	D	89.4	Confident	87.4	Confident	75 Å²	75	82 Å²	82	40%	0.401	43%	0.426	S	S	.	.	H	α-helix	trans	-66.2	-40.6	179.5	-68.4	-3.3	0	0	0	111	N539 A545 I546 A547	N539-D543 WeakPolarHBondContact O-CB 3.26Å; N539-D543 VanDerWaalsContact O-CG 3.27Å; N539-D543 PolarHBondContact O-N 3.24Å; D543-A545 PolarHBondContact O-N 3.49Å; D543-I546 PolarHBondContact O-N 3.41Å; D543-A547 VanDerWaalsContact O-CB 3.22Å; D543-A547 WeakPolarHBondContact O-CB 3.34Å; D543-A547 PolarHBondContact O-N 2.8Å
544	Y	91.1	Very high	87.2	Confident	171 Å²	171	87.1 Å²	87.1	67%	0.671	45%	0.449	S	S	*	.	H	α-helix	trans	-61.7	-43.2	172.8	-172.7	-94	0	0	0	112	E540 A547 R548	E540-Y544 VanDerWaalsContact O-CB 3.23Å; E540-Y544 WeakPolarHBondContact O-CB 3.39Å; E540-Y544 PolarHBondContact O-N 3.26Å; Y544-A547 PolarHBondContact O-N 3.31Å; Y544-R548 WeakPolarHBondContact O-CB 3.49Å; Y544-R548 PolarHBondContact O-N 3.39Å
545	A	87.8	Confident	87	Confident	27 Å²	27	90.9 Å²	90.9	22%	0.223	48%	0.476	C	S	.	.	H	α-helix	trans	-64.3	-42.1	177	0	0	0	0	0	112.2	V541 T542 D543 R549	V541-A545 PolarHBondContact O-N 3.21Å; V541-A545 VanDerWaalsContact O-N 3.11Å; T542-A545 PolarHBondContact O-N 2.82Å; D543-A545 PolarHBondContact O-N 3.49Å; A545-R549 WeakPolarHBondContact O-CB 3.48Å; A545-R549 PolarHBondContact O-N 3.41Å
546	I	87.9	Confident	86.4	Confident	73 Å²	73	94.2 Å²	94.2	37%	0.374	48%	0.483	S	S	.	.	H	α-helix	trans	-64.2	-48.7	175.7	-68.5	163.5	0	0	0	110.1	T542 D543 R548 R549 I550	T542-I546 WeakPolarHBondContact O-CB 3.31Å; T542-I546 WeakPolarHBondContact O-CD1 3.47Å; T542-I546 WeakPolarHBondContact O-CG1 3.23Å; T542-I546 PolarHBondContact O-N 3.39Å; D543-I546 PolarHBondContact O-N 3.41Å; I546-R548 PolarHBondContact O-N 2.83Å; I546-R549 WeakPolarHBondContact O-CB 3.45Å; I546-R549 PolarHBondContact O-N 2.93Å; I546-R549 VanDerWaalsContact O-N 3.08Å; I546-I550 HydrophobicContact CG2-CD1 3.74Å; I546-I550 HydrophobicContact CG2-CG1 4.39Å; I546-I550 WeakPolarHBondContact O-CG1 3.4Å; I546-I550 PolarHBondContact O-N 3.38Å
547	A	89.4	Confident	85.3	Confident	50 Å²	50	96.4 Å²	96.4	41%	0.413	50%	0.499	S	S	.	.	H	α-helix	trans	-58.9	-46.7	179	0	0	0	0	0	111.3	D543 Y544 R549 I550 V551	D543-A547 VanDerWaalsContact O-CB 3.22Å; D543-A547 WeakPolarHBondContact O-CB 3.34Å; D543-A547 PolarHBondContact O-N 2.8Å; Y544-A547 PolarHBondContact O-N 3.31Å; A547-R549 VanDerWaalsContact C-N 3.29Å; A547-R549 PolarHBondContact O-N 2.77Å; A547-I550 PolarHBondContact O-N 3.35Å; A547-V551 VanDerWaalsContact O-CG2 3.3Å; A547-V551 WeakPolarHBondContact O-CG2 3.44Å; A547-V551 PolarHBondContact O-N 3.42Å
548	R	88.8	Confident	84	Confident	161 Å²	161	100.1 Å²	100.1	61%	0.608	52%	0.516	S	S	*	.	H	α-helix	trans	-56.6	-44	174.4	-176.8	177.8	176.7	178.5	1.1	111.3	Y544 I546 I550 V551 D552	Y544-R548 WeakPolarHBondContact O-CB 3.49Å; Y544-R548 PolarHBondContact O-N 3.39Å; I546-R548 PolarHBondContact O-N 2.83Å; R548-I550 PolarHBondContact O-N 2.86Å; R548-V551 PolarHBondContact O-N 2.96Å; R548-D552 WeakPolarHBondContact O-CB 3.37Å; R548-D552 PolarHBondContact O-N 3.38Å
549	R	83.8	Confident	82.4	Confident	73 Å²	73	102.4 Å²	102.4	28%	0.275	52%	0.516	S	S	.	.	H	α-helix	trans	-65.6	-39	179.7	-168.5	56.3	170.4	164.2	1.1	112.6	P354 A545 I546 A547 L553	P354-R549 VanDerWaalsContact O-CZ 3.29Å; P354-R549 PolarHBondContact O-NE 3.22Å; P354-R549 VanDerWaalsContact O-NE 3.1Å; P354-R549 PolarHBondContact O-NH2 3.3Å; A545-R549 WeakPolarHBondContact O-CB 3.48Å; A545-R549 PolarHBondContact O-N 3.41Å; I546-R549 WeakPolarHBondContact O-CB 3.45Å; I546-R549 PolarHBondContact O-N 2.93Å; I546-R549 VanDerWaalsContact O-N 3.08Å; A547-R549 VanDerWaalsContact C-N 3.29Å; A547-R549 PolarHBondContact O-N 2.77Å; R549-L553 PolarHBondContact O-N 3.2Å
550	I	85.5	Confident	80.7	Confident	89 Å²	89	103 Å²	103	46%	0.456	53%	0.526	S	S	.	.	H	α-helix	trans	-66.8	-44.6	176.5	-66.5	168.7	0	0	0	110.6	I546 A547 R548 D552 L553 H554	I546-I550 HydrophobicContact CG2-CD1 3.74Å; I546-I550 HydrophobicContact CG2-CG1 4.39Å; I546-I550 WeakPolarHBondContact O-CG1 3.4Å; I546-I550 PolarHBondContact O-N 3.38Å; A547-I550 PolarHBondContact O-N 3.35Å; R548-I550 PolarHBondContact O-N 2.86Å; I550-D552 VanDerWaalsContact C-N 3.34Å; I550-L553 PolarHBondContact O-N 3.26Å; I550-H554 PolarHBondContact O-N 3.02Å; I550-H554 PolarHBondContact O-ND1 3.4Å
551	V	88.7	Confident	79.2	Confident	85 Å²	85	97 Å²	97	52%	0.515	50%	0.501	S	S	.	.	H	α-helix	trans	-62.7	-43.2	177	172.2	0	0	0	0	110.6	A547 R548 L553 H554 S555	A547-V551 VanDerWaalsContact O-CG2 3.3Å; A547-V551 WeakPolarHBondContact O-CG2 3.44Å; A547-V551 PolarHBondContact O-N 3.42Å; R548-V551 PolarHBondContact O-N 2.96Å; V551-L553 VanDerWaalsContact C-N 3.32Å; V551-L553 PolarHBondContact O-N 3.32Å; V551-H554 PolarHBondContact O-N 2.95Å; V551-S555 VanDerWaalsContact O-CB 3.23Å; V551-S555 WeakPolarHBondContact O-CB 3.44Å; V551-S555 PolarHBondContact O-N 3.27Å; V551-S555 PolarHBondContact O-OG 3.47Å
552	D	85	Confident	77.9	Confident	35 Å²	35	99.3 Å²	99.3	19%	0.187	51%	0.509	C	S	.	.	H	α-helix	trans	-58.6	-43.3	176.2	-76.4	-23.7	0	0	0	111.7	R548 I550 S555 R556	R548-D552 WeakPolarHBondContact O-CB 3.37Å; R548-D552 PolarHBondContact O-N 3.38Å; I550-D552 VanDerWaalsContact C-N 3.34Å; D552-S555 PolarHBondContact O-N 3.16Å; D552-R556 WeakPolarHBondContact O-CB 3.36Å; D552-R556 PolarHBondContact O-N 3.09Å; D552-R556 IonicContact OD1-CZ 3.45Å; D552-R556 IonicContact OD1-NH2 3.01Å; D552-R556 PolarHBondContact OD1-NH2 2.84Å; D552-R556 IonicContact OD2-NH2 4Å; D552-R556 PolarHBondContact OD2-NH2 3.49Å
553	L	82.6	Confident	77.4	Confident	96 Å²	96	101 Å²	101	50%	0.503	51%	0.51	S	S	.	.	H	α-helix	trans	-64.8	-40.1	178.4	-174.7	71.1	0	0	0	112.4	T355 R549 I550 V551	T355-L553 HydrophobicContact CG2-CD1 4.4Å; R549-L553 PolarHBondContact O-N 3.2Å; I550-L553 PolarHBondContact O-N 3.26Å; V551-L553 VanDerWaalsContact C-N 3.32Å; V551-L553 PolarHBondContact O-N 3.32Å
554	H	83.4	Confident	77	Confident	138 Å²	138	103.1 Å²	103.1	64%	0.639	52%	0.52	S	S	*	.	H	α-helix	trans	-78.4	-29.9	179.6	-73.1	76.8	0	0	0	112.8	I550 V551 V557	I550-H554 PolarHBondContact O-N 3.02Å; I550-H554 PolarHBondContact O-ND1 3.4Å; V551-H554 PolarHBondContact O-N 2.95Å; H554-V557 WeakPolarHBondContact O-CG2 3.3Å
555	S	83.9	Confident	76.8	Confident	86 Å²	86	96 Å²	96	60%	0.601	49%	0.492	S	S	*	.	H	α-helix	trans	-80.5	-36.1	-179	-55.4	0	0	0	0	112	V551 D552	V551-S555 VanDerWaalsContact O-CB 3.23Å; V551-S555 WeakPolarHBondContact O-CB 3.44Å; V551-S555 PolarHBondContact O-N 3.27Å; V551-S555 PolarHBondContact O-OG 3.47Å; D552-S555 PolarHBondContact O-N 3.16Å
556	R	74.5	Confident	76.7	Confident	121 Å²	121	97.6 Å²	97.6	46%	0.457	50%	0.502	S	S	.	.	S	Bend	trans	-110.6	76.2	178.6	-66.6	-177.6	-79.3	-118.7	-1.3	109	D552 E558	D552-R556 WeakPolarHBondContact O-CB 3.36Å; D552-R556 PolarHBondContact O-N 3.09Å; D552-R556 IonicContact OD1-CZ 3.45Å; D552-R556 IonicContact OD1-NH2 3.01Å; D552-R556 PolarHBondContact OD1-NH2 2.84Å; D552-R556 IonicContact OD2-NH2 4Å; D552-R556 PolarHBondContact OD2-NH2 3.49Å; R556-E558 PolarHBondContact O-N 3Å
557	V	62.5	Low	76.6	Confident	118 Å²	118	96.3 Å²	96.3	72%	0.715	50%	0.496	S	S	*	.	S	Bend	trans	-57.4	-23.5	-171.3	179.1	0	0	0	0	113.1	H554	H554-V557 WeakPolarHBondContact O-CG2 3.3Å
558	E	58	Low	76.4	Confident	191 Å²	191	97.4 Å²	97.4	89%	0.893	50%	0.495	S	S	*	.	S	Bend	trans	-143.1	-8.8	178	-67.5	-174.3	157.5	0	0	116.3	R556	R556-E558 PolarHBondContact O-N 3Å
559	E	51.8	Low	76.3	Confident	159 Å²	159	91.9 Å²	91.9	74%	0.743	48%	0.476	S	S	*	.	S	Bend	trans	-102.1	120.1	-175.2	-76.1	-173.7	166.7	0	0	113.7
560	S	51.7	Low	76.5	Confident	83 Å²	83	88.9 Å²	88.9	58%	0.58	47%	0.465	S	S	*	.			trans	69.5	69.1	159.5	71.3	0	0	0	0	116.5	D562	S560-D562 PolarHBondContact O-N 3.4Å
561	V	59.3	Low	76.5	Confident	45 Å²	45	88.8 Å²	88.8	27%	0.273	46%	0.459	S	S	.	.			trans	-77.9	93.1	131.7	-175.5	0	0	0	0	106.4	P354 R563	P354-V561 HydrophobicContact CB-CG1 3.13Å; P354-V561 HydrophobicContact CG-CB 4.46Å; P354-V561 HydrophobicContact CG-CG1 3.29Å; V561-R563 HydrophobicContact CG1-CG 3.98Å; V561-R563 WeakPolarHBondContact O-CG 3.49Å; V561-R563 PolarHBondContact O-N 3.04Å; V561-R563 VanDerWaalsContact O-N 3.12Å
562	D	64.6	Low	76.3	Confident	159 Å²	159	86.6 Å²	86.6	85%	0.85	44%	0.442	S	S	*	.			trans	-63.1	114	176.5	-157.7	4.7	0	0	0	108.1	S560	S560-D562 PolarHBondContact O-N 3.4Å
563	R	75.6	Confident	76.5	Confident	87 Å²	87	85 Å²	85	33%	0.328	43%	0.433	S	S	.	.			trans	-118	132.5	-178.8	-62.8	175.4	-160.3	-160.8	4.4	107.1	V561 Y565 L567	V561-R563 HydrophobicContact CG1-CG 3.98Å; V561-R563 WeakPolarHBondContact O-CG 3.49Å; V561-R563 PolarHBondContact O-N 3.04Å; V561-R563 VanDerWaalsContact O-N 3.12Å; R563-Y565 VanDerWaalsContact C-N 3.27Å; R563-Y565 WeakPolarHBondContact CB-O 3.5Å; R563-Y565 PolarHBondContact O-N 3.15Å; R563-L567 VanDerWaalsContact NH1-CD2 3.34Å
564	L	80.9	Confident	76.8	Confident	119 Å²	119	81.4 Å²	81.4	62%	0.623	41%	0.414	S	S	*	.	S	Bend	trans	-65	-36.8	174.4	-68.4	170.3	0	0	0	111.3	N347	N347-L564 HydrophobicContact CB-CD1 4.25Å
565	Y	86.3	Confident	76.7	Confident	20 Å²	20	77.5 Å²	77.5	8%	0.078	40%	0.398	C	S	.	.	S	Bend	trans	-121.5	135.1	179	-57.3	-54.3	0	0	0	111	M338 D341 L344 N347 L348 R563	M338-Y565 HydrophobicContact CG-CD1 4.01Å; M338-Y565 HydrophobicContact CG-CE1 3.62Å; M338-Y565 HydrophobicContact SD-CD1 3.86Å; M338-Y565 HydrophobicContact SD-CE1 4.11Å; M338-Y565 HydrophobicContact SD-CG 4.23Å; D341-Y565 PolarHBondContact OD2-OH 3.3Å; L344-Y565 HydrophobicContact CD1-CE2 4.25Å; N347-Y565 HydrophobicContact CB-CD2 4.33Å; N347-Y565 HydrophobicContact CB-CE2 3.67Å; L348-Y565 HydrophobicContact CD2-CD2 4.09Å; R563-Y565 VanDerWaalsContact C-N 3.27Å; R563-Y565 WeakPolarHBondContact CB-O 3.5Å; R563-Y565 PolarHBondContact O-N 3.15Å
566	S	87.5	Confident	76.8	Confident	62 Å²	62	74.1 Å²	74.1	43%	0.434	37%	0.372	S	S	.	.			trans	-70.9	147.8	172.7	178.6	0	0	0	0	110.5	D568 E569 I570	S566-D568 PolarHBondContact O-N 3.4Å; S566-D568 VanDerWaalsContact O-N 3.15Å; S566-E569 PolarHBondContact N-OE2 2.88Å; S566-E569 WeakPolarHBondContact O-CB 3.41Å; S566-E569 PolarHBondContact O-N 2.85Å; S566-I570 WeakPolarHBondContact O-CG1 3.25Å; S566-I570 PolarHBondContact O-N 2.63Å
567	L	85.1	Confident	77.5	Confident	45 Å²	45	68.3 Å²	68.3	24%	0.236	35%	0.35	C	S	.	.	H	α-helix	trans	-56.4	-34.2	177.1	-68.4	-179	0	0	0	112.2	L352 F410 R563 I570 R571	L352-L567 HydrophobicContact CD1-CD2 4.24Å; F410-L567 HydrophobicContact CD2-CD2 4.07Å; F410-L567 HydrophobicContact CE2-CD2 4.33Å; R563-L567 VanDerWaalsContact NH1-CD2 3.34Å; L567-I570 PolarHBondContact O-N 2.81Å; L567-R571 WeakPolarHBondContact O-CG 3.24Å; L567-R571 PolarHBondContact O-N 2.99Å
568	D	84.3	Confident	78.6	Confident	73 Å²	73	67.3 Å²	67.3	39%	0.39	33%	0.333	S	S	.	.	H	α-helix	trans	-71.6	-34	-179.8	-169.2	54.9	0	0	0	112.5	S566 R572	S566-D568 PolarHBondContact O-N 3.4Å; S566-D568 VanDerWaalsContact O-N 3.15Å; D568-R572 WeakPolarHBondContact O-CG 3.46Å; D568-R572 PolarHBondContact O-N 3.25Å; D568-R572 VanDerWaalsContact O-N 3.11Å; D568-R572 PolarHBondContact O-NE 2.95Å; D568-R572 IonicContact OD2-CZ 3.66Å; D568-R572 IonicContact OD2-NE 2.84Å; D568-R572 PolarHBondContact OD2-NE 2.63Å; D568-R572 IonicContact OD2-NH2 3.85Å; D568-R572 PolarHBondContact OD2-NH2 2.91Å
569	E	87.3	Confident	79.8	Confident	46 Å²	46	59.8 Å²	59.8	22%	0.215	30%	0.298	C	S	.	.	H	α-helix	trans	-67.3	-42.6	172.3	-63.9	170.3	159.4	0	0	110.7	M338 S566 R571 R572 Y573	M338-E569 HydrophobicContact CE-CB 4.18Å; M338-E569 HydrophobicContact SD-CB 4.39Å; S566-E569 PolarHBondContact N-OE2 2.88Å; S566-E569 WeakPolarHBondContact O-CB 3.41Å; S566-E569 PolarHBondContact O-N 2.85Å; E569-R571 PolarHBondContact O-N 3.34Å; E569-R572 PolarHBondContact O-N 3.08Å; E569-Y573 WeakPolarHBondContact O-CB 3.4Å; E569-Y573 PolarHBondContact O-N 2.92Å
570	I	88.4	Confident	81.5	Confident	10 Å²	10	53.7 Å²	53.7	5%	0.051	27%	0.27	C	S	.	.	H	α-helix	trans	-64.2	-41.7	177.7	-57.8	169.6	0	0	0	110.7	L348 F410 S566 L567 R572 Y573 L574	L348-I570 HydrophobicContact CD2-CD1 4.37Å; L348-I570 HydrophobicContact CD2-CG1 3.96Å; L348-I570 HydrophobicContact CD2-CG2 4.1Å; F410-I570 HydrophobicContact CE2-CB 4.21Å; F410-I570 HydrophobicContact CE2-CG2 4.06Å; F410-I570 HydrophobicContact CZ-CB 4.26Å; F410-I570 HydrophobicContact CZ-CG2 3.68Å; S566-I570 WeakPolarHBondContact O-CG1 3.25Å; S566-I570 PolarHBondContact O-N 2.63Å; L567-I570 PolarHBondContact O-N 2.81Å; I570-R572 PolarHBondContact O-N 2.86Å; I570-Y573 PolarHBondContact O-N 3.32Å; I570-L574 VanDerWaalsContact O-CB 3.27Å; I570-L574 WeakPolarHBondContact O-CB 3.37Å; I570-L574 PolarHBondContact O-N 2.91Å
571	R	86	Confident	83.3	Confident	87 Å²	87	56.9 Å²	56.9	33%	0.328	27%	0.273	S	S	.	.	H	α-helix	trans	-60.4	-44.7	175.6	-76.4	177.6	-176.4	137.8	-2.7	111.7	E409 F410 L567 E569 L574 L575	E409-R571 PolarHBondContact O-NH2 3.15Å; F410-R571 HydrophobicContact CD2-CG 4.23Å; F410-R571 HydrophobicContact CE2-CG 3.6Å; F410-R571 HydrophobicContact CZ-CG 3.86Å; F410-R571 PolarHBondContact O-NE 2.71Å; F410-R571 PolarHBondContact O-NH2 2.88Å; L567-R571 WeakPolarHBondContact O-CG 3.24Å; L567-R571 PolarHBondContact O-N 2.99Å; E569-R571 PolarHBondContact O-N 3.34Å; R571-L574 PolarHBondContact O-N 3.11Å; R571-L575 PolarHBondContact O-N 2.86Å
572	R	84.1	Confident	84.8	Confident	39 Å²	39	55 Å²	55	15%	0.147	26%	0.261	C	S	.	.	H	α-helix	trans	-62.8	-45.8	176.3	-77.4	177.3	-83.2	168.4	-1.2	111.8	F308 M327 E331 D568 E569 I570 L574 L575 F576	F308-R572 HydrophobicContact CE2-CB 4.46Å; F308-R572 HydrophobicContact CE2-CG 3.76Å; F308-R572 HydrophobicContact CZ-CB 4.23Å; F308-R572 HydrophobicContact CZ-CG 3.7Å; M327-R572 HydrophobicContact CE-CB 3.98Å; M327-R572 HydrophobicContact CE-CG 4.38Å; E331-R572 IonicContact OE1-CZ 3.85Å; E331-R572 IonicContact OE1-NH1 3.5Å; E331-R572 PolarHBondContact OE1-NH1 3.39Å; D568-R572 WeakPolarHBondContact O-CG 3.46Å; D568-R572 PolarHBondContact O-N 3.25Å; D568-R572 VanDerWaalsContact O-N 3.11Å; D568-R572 PolarHBondContact O-NE 2.95Å; D568-R572 IonicContact OD2-CZ 3.66Å; D568-R572 IonicContact OD2-NE 2.84Å; D568-R572 PolarHBondContact OD2-NE 2.63Å; D568-R572 IonicContact OD2-NH2 3.85Å; D568-R572 PolarHBondContact OD2-NH2 2.91Å; E569-R572 PolarHBondContact O-N 3.08Å; I570-R572 PolarHBondContact O-N 2.86Å; R572-L574 VanDerWaalsContact C-N 3.35Å; R572-L574 PolarHBondContact O-N 3.17Å; R572-L575 PolarHBondContact O-N 2.8Å; R572-F576 PolarHBondContact O-N 3.17Å; R572-F576 VanDerWaalsContact O-N 3.12Å
573	Y	88.5	Confident	86.1	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-59.6	-45	175.6	-173.4	-96.6	0	0	0	112	V335 M338 L344 F371 E569 I570 L575 F576 A577 M633 C635	V335-Y573 HydrophobicContact CG1-CD2 4.06Å; M338-Y573 HydrophobicContact CB-CD2 3.9Å; M338-Y573 HydrophobicContact CB-CE2 3.97Å; M338-Y573 HydrophobicContact CE-CD2 4Å; M338-Y573 HydrophobicContact CE-CG 4.27Å; L344-Y573 HydrophobicContact CD2-CE1 3.93Å; L344-Y573 VanDerWaalsContact CD2-OH 3.3Å; L344-Y573 WeakPolarHBondContact CD2-OH 3.35Å; F371-Y573 HydrophobicContact CE1-CD1 4.14Å; F371-Y573 HydrophobicContact CE1-CE1 4.04Å; F371-Y573 HydrophobicContact CZ-CD1 4.04Å; F371-Y573 AromaticContact CZ-CE1 3.97Å; F371-Y573 HydrophobicContact CZ-CE1 3.97Å; E569-Y573 WeakPolarHBondContact O-CB 3.4Å; E569-Y573 PolarHBondContact O-N 2.92Å; I570-Y573 PolarHBondContact O-N 3.32Å; Y573-L575 PolarHBondContact O-N 3.3Å; Y573-F576 PolarHBondContact O-N 3.35Å; Y573-A577 HydrophobicContact CE1-CB 4.32Å; Y573-A577 VanDerWaalsContact O-CB 3.25Å; Y573-A577 WeakPolarHBondContact O-CB 3.31Å; Y573-A577 PolarHBondContact O-N 2.86Å; Y573-M633 WeakPolarHBondContact CE1-O 3.37Å; Y573-M633 PolarHBondContact OH-O 3.24Å; Y573-C635 PolarHBondContact OH-SG 3.44Å
574	L	88.2	Confident	86.9	Confident	22 Å²	22	53.8 Å²	53.8	12%	0.115	25%	0.253	C	S	.	.	H	α-helix	trans	-62.3	-43	179.1	-177.8	155.7	0	0	0	111.7	L370 F410 I570 R571 R572 A577 R578	L370-L574 HydrophobicContact CB-CD1 3.87Å; F410-L574 HydrophobicContact CE1-CD1 3.99Å; F410-L574 HydrophobicContact CZ-CD1 4.43Å; I570-L574 VanDerWaalsContact O-CB 3.27Å; I570-L574 WeakPolarHBondContact O-CB 3.37Å; I570-L574 PolarHBondContact O-N 2.91Å; R571-L574 PolarHBondContact O-N 3.11Å; R572-L574 VanDerWaalsContact C-N 3.35Å; R572-L574 PolarHBondContact O-N 3.17Å; L574-A577 PolarHBondContact O-N 3.36Å; L574-R578 VanDerWaalsContact CD2-CD 3.46Å; L574-R578 HydrophobicContact CD2-CG 4.18Å; L574-R578 WeakPolarHBondContact O-CB 3.36Å; L574-R578 VanDerWaalsContact O-CG 3.28Å; L574-R578 WeakPolarHBondContact O-CG 3.39Å; L574-R578 PolarHBondContact O-N 2.85Å
575	L	83.2	Confident	87.5	Confident	56 Å²	56	49.6 Å²	49.6	29%	0.293	23%	0.234	S	C	.	.	H	α-helix	trans	-61.6	-45.7	177.6	-174.1	67.3	0	0	0	111.3	F308 I323 R571 R572 Y573	F308-L575 HydrophobicContact CD2-CD2 3.64Å; F308-L575 HydrophobicContact CE1-CD2 4.44Å; F308-L575 HydrophobicContact CE2-CB 4.33Å; F308-L575 HydrophobicContact CE2-CD2 3.26Å; F308-L575 HydrophobicContact CE2-CG 4.41Å; F308-L575 HydrophobicContact CG-CD2 4.4Å; F308-L575 HydrophobicContact CZ-CD2 3.7Å; I323-L575 HydrophobicContact CD1-CD2 4.02Å; I323-L575 HydrophobicContact CD1-CG 3.94Å; R571-L575 PolarHBondContact O-N 2.86Å; R572-L575 PolarHBondContact O-N 2.8Å; Y573-L575 PolarHBondContact O-N 3.3Å
576	F	85.8	Confident	87.7	Confident	14 Å²	14	52.6 Å²	52.6	6%	0.061	26%	0.258	C	S	.	.	H	α-helix	trans	-62.3	-48.7	176.6	176.3	-109.8	0	0	0	112	A320 W332 V335 R572 Y573 R578 Q579 F580	A320-F576 HydrophobicContact CB-CE2 4.34Å; W332-F576 HydrophobicContact CH2-CE1 4.25Å; W332-F576 AromaticContact CH2-CE2 3.94Å; W332-F576 HydrophobicContact CH2-CE2 3.94Å; W332-F576 AromaticContact CH2-CZ 3.56Å; W332-F576 HydrophobicContact CH2-CZ 3.56Å; W332-F576 HydrophobicContact CZ3-CD2 4.18Å; W332-F576 HydrophobicContact CZ3-CE1 4.15Å; W332-F576 AromaticContact CZ3-CE2 3.61Å; W332-F576 HydrophobicContact CZ3-CE2 3.61Å; W332-F576 AromaticContact CZ3-CZ 3.59Å; W332-F576 HydrophobicContact CZ3-CZ 3.59Å; V335-F576 HydrophobicContact CG1-CD1 3.71Å; V335-F576 HydrophobicContact CG1-CE1 4.15Å; V335-F576 HydrophobicContact CG1-CG 4.22Å; R572-F576 PolarHBondContact O-N 3.17Å; R572-F576 VanDerWaalsContact O-N 3.12Å; Y573-F576 PolarHBondContact O-N 3.35Å; F576-R578 VanDerWaalsContact C-N 3.31Å; F576-R578 PolarHBondContact O-N 3.46Å; F576-Q579 WeakPolarHBondContact O-CB 3.48Å; F576-Q579 PolarHBondContact O-N 3.04Å; F576-F580 HydrophobicContact CD1-CE2 4.07Å; F576-F580 AromaticContact CE1-CE2 3.58Å; F576-F580 HydrophobicContact CE1-CE2 3.58Å; F576-F580 AromaticContact CE1-CZ 3.95Å; F576-F580 HydrophobicContact CE1-CZ 3.95Å; F576-F580 HydrophobicContact CE2-CE2 4.14Å; F576-F580 HydrophobicContact CE2-CZ 4.35Å; F576-F580 AromaticContact CZ-CE2 3.6Å; F576-F580 HydrophobicContact CZ-CE2 3.6Å; F576-F580 AromaticContact CZ-CZ 3.65Å; F576-F580 HydrophobicContact CZ-CZ 3.65Å
577	A	87.8	Confident	88	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-63.5	-32.2	-178.6	0	0	0	0	0	113.6	F371 Y573 L574 Q579 F580	F371-A577 HydrophobicContact CD1-CB 3.85Å; F371-A577 HydrophobicContact CE1-CB 3.53Å; Y573-A577 HydrophobicContact CE1-CB 4.32Å; Y573-A577 VanDerWaalsContact O-CB 3.25Å; Y573-A577 WeakPolarHBondContact O-CB 3.31Å; Y573-A577 PolarHBondContact O-N 2.86Å; L574-A577 PolarHBondContact O-N 3.36Å; A577-Q579 PolarHBondContact O-N 3.46Å; A577-F580 PolarHBondContact O-N 3.28Å
578	R	85.4	Confident	88.4	Confident	96 Å²	96	54.4 Å²	54.4	36%	0.362	26%	0.258	S	S	.	.	H	α-helix	trans	-65.3	-21.4	178.6	-80.5	-179.5	74.6	-179.4	6.4	113.7	F371 N452 L574 F576 F580	F371-R578 WeakPolarHBondContact O-CG 3.42Å; N452-R578 PolarHBondContact O-NH2 2.91Å; L574-R578 VanDerWaalsContact CD2-CD 3.46Å; L574-R578 HydrophobicContact CD2-CG 4.18Å; L574-R578 WeakPolarHBondContact O-CB 3.36Å; L574-R578 VanDerWaalsContact O-CG 3.28Å; L574-R578 WeakPolarHBondContact O-CG 3.39Å; L574-R578 PolarHBondContact O-N 2.85Å; F576-R578 VanDerWaalsContact C-N 3.31Å; F576-R578 PolarHBondContact O-N 3.46Å; R578-F580 VanDerWaalsContact C-N 3.3Å; R578-F580 PolarHBondContact O-N 2.96Å
579	Q	84.4	Confident	88.8	Confident	33 Å²	33	56.6 Å²	56.6	15%	0.154	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-21.6	-179.7	-62.3	-176.2	-58.2	0	0	113.2	Q318 T319 A320 I323 F576 A577	Q318-Q579 VanDerWaalsContact C-NE2 3.28Å; Q318-Q579 PolarHBondContact O-NE2 3.42Å; T319-Q579 VanDerWaalsContact C-NE2 3.27Å; T319-Q579 PolarHBondContact O-NE2 3.14Å; A320-Q579 VanDerWaalsContact CA-OE1 3.25Å; I323-Q579 HydrophobicContact CD1-CG 4.24Å; I323-Q579 VanDerWaalsContact CG1-NE2 3.27Å; F576-Q579 WeakPolarHBondContact O-CB 3.48Å; F576-Q579 PolarHBondContact O-N 3.04Å; A577-Q579 PolarHBondContact O-N 3.46Å
580	F	86.8	Confident	89.1	Confident	32 Å²	32	61.2 Å²	61.2	14%	0.14	29%	0.288	C	S	.	.			trans	-69.3	138.7	178.2	-69.8	-88.5	0	0	0	111.1	F576 A577 R578 P582 R632 C635 D637	F576-F580 HydrophobicContact CD1-CE2 4.07Å; F576-F580 AromaticContact CE1-CE2 3.58Å; F576-F580 HydrophobicContact CE1-CE2 3.58Å; F576-F580 AromaticContact CE1-CZ 3.95Å; F576-F580 HydrophobicContact CE1-CZ 3.95Å; F576-F580 HydrophobicContact CE2-CE2 4.14Å; F576-F580 HydrophobicContact CE2-CZ 4.35Å; F576-F580 AromaticContact CZ-CE2 3.6Å; F576-F580 HydrophobicContact CZ-CE2 3.6Å; F576-F580 AromaticContact CZ-CZ 3.65Å; F576-F580 HydrophobicContact CZ-CZ 3.65Å; A577-F580 PolarHBondContact O-N 3.28Å; R578-F580 VanDerWaalsContact C-N 3.3Å; R578-F580 PolarHBondContact O-N 2.96Å; F580-P582 VanDerWaalsContact C-CD 3.48Å; F580-P582 VanDerWaalsContact O-CD 3.31Å; F580-P582 WeakPolarHBondContact O-CD 3.36Å; F580-R632 HydrophobicContact CB-CG 4.47Å; F580-R632 PolarHBondContact O-NE 2.8Å; F580-R632 PolarHBondContact O-NH2 3.08Å; F580-C635 HydrophobicContact CE2-CB 4.11Å; F580-C635 HydrophobicContact CZ-CB 4.27Å; F580-D637 WeakPolarHBondContact CD1-OD1 3.21Å
581	K	89.5	Confident	89.4	Confident	149 Å²	149	62.6 Å²	62.6	65%	0.648	29%	0.293	S	S	*	.			trans	-119.1	75.9	178.3	-66.1	-179	-176.3	175.8	0	108.8	V374	V374-K581 HydrophobicContact CG1-CB 4.44Å; V374-K581 HydrophobicContact CG1-CG 4.45Å
582	P	91.8	Very high	89.8	Confident	5 Å²	5	58.8 Å²	58.8	3%	0.032	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-61	139.5	-175.2	23.3	-33.9	0	0	0	111.8	V374 F580 E628 A631 R632 D637 V639	V374-P582 HydrophobicContact CG2-CG 4.04Å; F580-P582 VanDerWaalsContact C-CD 3.48Å; F580-P582 VanDerWaalsContact O-CD 3.31Å; F580-P582 WeakPolarHBondContact O-CD 3.36Å; P582-E628 HydrophobicContact CG-CB 4.29Å; P582-A631 HydrophobicContact CB-CB 3.83Å; P582-A631 HydrophobicContact CG-CB 4.03Å; P582-R632 HydrophobicContact CG-CG 3.94Å; P582-D637 CarbonylContact C-O 3.54Å; P582-D637 VanDerWaalsContact CA-O 3.24Å; P582-D637 WeakPolarHBondContact CA-O 3.37Å; P582-V639 HydrophobicContact CB-CG2 4.17Å
583	K	91.4	Very high	90.2	Very high	162 Å²	162	61.3 Å²	61.3	70%	0.704	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.8	145.8	174.9	-64.8	179.1	-176.9	173.7	0	110.4	S585 D637 E638 V639	K583-S585 PolarHBondContact O-N 2.95Å; K583-D637 PolarHBondContact N-O 3.4Å; K583-E638 CarbonylContact O-C 3.59Å; K583-E638 WeakPolarHBondContact O-CA 3.15Å; K583-V639 PolarHBondContact O-N 3.35Å
584	I	91.8	Very high	90.4	Very high	59 Å²	59	65.3 Å²	65.3	30%	0.303	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	124.7	175.6	-53.7	171.7	0	0	0	107.7	E589 I592 I624 V639	I584-E589 HydrophobicContact CG2-CB 4.26Å; I584-I592 HydrophobicContact CG2-CD1 4.25Å; I584-I624 HydrophobicContact CD1-CG2 3.73Å; I584-V639 HydrophobicContact CG1-CG2 4.3Å
585	S	93.5	Very high	90.5	Very high	31 Å²	31	64.7 Å²	64.7	22%	0.217	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-76.1	154.5	173.6	58.2	0	0	0	0	110.9	K583 E587 S588 E589 V639	K583-S585 PolarHBondContact O-N 2.95Å; S585-E587 VanDerWaalsContact C-N 3.26Å; S585-E587 PolarHBondContact O-N 3.44Å; S585-S588 PolarHBondContact O-N 3.14Å; S585-S588 VanDerWaalsContact O-N 3.09Å; S585-S588 WeakPolarHBondContact OG-CB 3.41Å; S585-S588 PolarHBondContact OG-N 2.99Å; S585-S588 PolarHBondContact OG-OG 3.19Å; S585-S588 VanDerWaalsContact OG-OG 3.06Å; S585-E589 PolarHBondContact O-N 3.37Å; S585-V639 PolarHBondContact OG-O 3.09Å
586	S	91.5	Very high	90.8	Very high	83 Å²	83	63.6 Å²	63.6	58%	0.58	31%	0.307	S	S	*	.	H	α-helix	trans	-58	-38.5	180	-167	0	0	0	0	112.4	E589 E590	S586-E589 PolarHBondContact O-N 3.09Å; S586-E590 PolarHBondContact O-N 3.48Å
587	E	93.4	Very high	91	Very high	146 Å²	146	69.2 Å²	69.2	68%	0.682	33%	0.331	S	S	*	.	H	α-helix	trans	-64.8	-41.1	176.9	-62.2	-177.4	178.1	0	0	111.9	S585 E589 F591	S585-E587 VanDerWaalsContact C-N 3.26Å; S585-E587 PolarHBondContact O-N 3.44Å; E587-E589 VanDerWaalsContact C-N 3.35Å; E587-F591 WeakPolarHBondContact O-CB 3.46Å; E587-F591 PolarHBondContact O-N 3.15Å; E587-F591 VanDerWaalsContact O-N 3.13Å
588	S	93.8	Very high	90.9	Very high	0 Å²	0	74.9 Å²	74.9	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-68.6	-34.3	177	-71.2	0	0	0	0	112.1	S585 F591 I592 V639 P641	S585-S588 PolarHBondContact O-N 3.14Å; S585-S588 VanDerWaalsContact O-N 3.09Å; S585-S588 WeakPolarHBondContact OG-CB 3.41Å; S585-S588 PolarHBondContact OG-N 2.99Å; S585-S588 PolarHBondContact OG-OG 3.19Å; S585-S588 VanDerWaalsContact OG-OG 3.06Å; S588-F591 PolarHBondContact O-N 3.21Å; S588-I592 WeakPolarHBondContact O-CB 3.39Å; S588-I592 WeakPolarHBondContact O-CG1 3.34Å; S588-I592 PolarHBondContact O-N 3.4Å; S588-V639 PolarHBondContact OG-O 2.99Å; S588-P641 WeakPolarHBondContact OG-CD 3.4Å
589	E	93.3	Very high	90.9	Very high	119 Å²	119	70.3 Å²	70.3	56%	0.556	34%	0.335	S	S	*	.	H	α-helix	trans	-61.6	-51.2	176.8	-176.1	177.3	-179.6	0	0	111.5	I584 S585 S586 E587 F591 I592 V593	I584-E589 HydrophobicContact CG2-CB 4.26Å; S585-E589 PolarHBondContact O-N 3.37Å; S586-E589 PolarHBondContact O-N 3.09Å; E587-E589 VanDerWaalsContact C-N 3.35Å; E589-F591 VanDerWaalsContact C-N 3.26Å; E589-F591 PolarHBondContact O-N 3.19Å; E589-I592 PolarHBondContact O-N 3.09Å; E589-V593 WeakPolarHBondContact O-CG2 3.35Å; E589-V593 PolarHBondContact O-N 3.43Å; E589-V593 VanDerWaalsContact O-N 3.1Å
590	E	93.2	Very high	90.8	Very high	143 Å²	143	76.2 Å²	76.2	67%	0.668	36%	0.356	S	S	*	.	H	α-helix	trans	-58.5	-41.6	175.1	-69.4	-176.8	-178.3	0	0	111.3	S586 V593 E594	S586-E590 PolarHBondContact O-N 3.48Å; E590-V593 PolarHBondContact O-N 3.11Å; E590-E594 PolarHBondContact O-N 2.94Å
591	F	94.5	Very high	90.6	Very high	38 Å²	38	80.2 Å²	80.2	17%	0.167	38%	0.375	C	S	.	.	H	α-helix	trans	-66.4	-39.2	179.3	-166.6	-101.7	0	0	0	112.8	E587 S588 E589 E594 Q595 V644 K645	E587-F591 WeakPolarHBondContact O-CB 3.46Å; E587-F591 PolarHBondContact O-N 3.15Å; E587-F591 VanDerWaalsContact O-N 3.13Å; S588-F591 PolarHBondContact O-N 3.21Å; E589-F591 VanDerWaalsContact C-N 3.26Å; E589-F591 PolarHBondContact O-N 3.19Å; F591-E594 PolarHBondContact O-N 3.17Å; F591-Q595 HydrophobicContact CD1-CG 4Å; F591-Q595 HydrophobicContact CE1-CG 3.59Å; F591-Q595 HydrophobicContact CZ-CG 3.96Å; F591-Q595 WeakPolarHBondContact O-CG 3.36Å; F591-Q595 PolarHBondContact O-N 2.96Å; F591-V644 HydrophobicContact CD1-CB 3.97Å; F591-V644 HydrophobicContact CD1-CG1 3.73Å; F591-V644 HydrophobicContact CE1-CB 4.38Å; F591-V644 HydrophobicContact CE1-CG1 4.15Å; F591-K645 HydrophobicContact CE1-CD 4.38Å; F591-K645 HydrophobicContact CE1-CG 3.43Å; F591-K645 VanDerWaalsContact CE1-CG 3.43Å; F591-K645 HydrophobicContact CZ-CD 4.14Å; F591-K645 VanDerWaalsContact CZ-CE 3.42Å; F591-K645 HydrophobicContact CZ-CG 3.54Å
592	I	94	Very high	89.8	Confident	8 Å²	8	78.3 Å²	78.3	4%	0.041	36%	0.364	C	S	.	.	H	α-helix	trans	-61.1	-45.6	174.6	-73.4	165	0	0	0	110.2	I584 S588 E589 E594 Q595 Y596 L620 M623 I624 V644	I584-I592 HydrophobicContact CG2-CD1 4.25Å; S588-I592 WeakPolarHBondContact O-CB 3.39Å; S588-I592 WeakPolarHBondContact O-CG1 3.34Å; S588-I592 PolarHBondContact O-N 3.4Å; E589-I592 PolarHBondContact O-N 3.09Å; I592-E594 VanDerWaalsContact C-N 3.32Å; I592-E594 PolarHBondContact O-N 2.97Å; I592-Q595 PolarHBondContact O-N 3.06Å; I592-Y596 WeakPolarHBondContact O-CB 3.47Å; I592-Y596 PolarHBondContact O-N 3.03Å; I592-L620 HydrophobicContact CG2-CD1 3.48Å; I592-L620 VanDerWaalsContact CG2-CD1 3.48Å; I592-M623 HydrophobicContact CG2-SD 4.35Å; I592-I624 HydrophobicContact CD1-CG1 4.36Å; I592-I624 HydrophobicContact CG2-CG1 4.41Å; I592-V644 HydrophobicContact CD1-CG2 4.05Å; I592-V644 HydrophobicContact CG1-CB 4.33Å; I592-V644 HydrophobicContact CG1-CG1 3.51Å; I592-V644 HydrophobicContact CG1-CG2 3.81Å
593	V	93.1	Very high	88.9	Confident	92 Å²	92	80.4 Å²	80.4	56%	0.558	38%	0.375	S	S	*	.	H	α-helix	trans	-62	-42.5	178.3	174.8	0	0	0	0	110.8	E589 E590 Y596 K597	E589-V593 WeakPolarHBondContact O-CG2 3.35Å; E589-V593 PolarHBondContact O-N 3.43Å; E589-V593 VanDerWaalsContact O-N 3.1Å; E590-V593 PolarHBondContact O-N 3.11Å; V593-Y596 PolarHBondContact O-N 3.37Å; V593-K597 WeakPolarHBondContact O-CB 3.46Å; V593-K597 PolarHBondContact O-N 2.78Å
594	E	92.3	Very high	87.7	Confident	84 Å²	84	75.9 Å²	75.9	39%	0.393	37%	0.374	S	S	.	.	H	α-helix	trans	-61.7	-47.8	175.9	-166.4	-169.9	-170.1	0	0	111.9	E590 F591 I592 Y596 K597 R598	E590-E594 PolarHBondContact O-N 2.94Å; F591-E594 PolarHBondContact O-N 3.17Å; I592-E594 VanDerWaalsContact C-N 3.32Å; I592-E594 PolarHBondContact O-N 2.97Å; E594-Y596 VanDerWaalsContact C-N 3.33Å; E594-Y596 PolarHBondContact O-N 2.76Å; E594-K597 PolarHBondContact O-N 3.02Å; E594-R598 VanDerWaalsContact CD-NH2 3.29Å; E594-R598 WeakPolarHBondContact O-CG 3.33Å; E594-R598 PolarHBondContact O-N 2.67Å; E594-R598 IonicContact OE1-CZ 2.69Å; E594-R598 IonicContact OE1-NE 3.74Å; E594-R598 PolarHBondContact OE1-NE 3.42Å; E594-R598 IonicContact OE1-NH2 3.11Å; E594-R598 PolarHBondContact OE1-NH2 3.34Å; E594-R598 IonicContact OE2-CZ 2.76Å; E594-R598 IonicContact OE2-NH2 2.79Å
595	Q	90.5	Very high	86	Confident	8 Å²	8	77.4 Å²	77.4	4%	0.037	39%	0.39	C	S	.	.	H	α-helix	trans	-64.2	-37.9	178.7	-66.5	-34.9	-64.5	0	0	112.1	F591 I592 R598 L599 M623 F648	F591-Q595 HydrophobicContact CD1-CG 4Å; F591-Q595 HydrophobicContact CE1-CG 3.59Å; F591-Q595 HydrophobicContact CZ-CG 3.96Å; F591-Q595 WeakPolarHBondContact O-CG 3.36Å; F591-Q595 PolarHBondContact O-N 2.96Å; I592-Q595 PolarHBondContact O-N 3.06Å; Q595-R598 PolarHBondContact O-N 2.91Å; Q595-L599 WeakPolarHBondContact O-CB 3.49Å; Q595-L599 PolarHBondContact O-N 3.04Å; Q595-M623 HydrophobicContact CB-SD 4.31Å; Q595-F648 HydrophobicContact CB-CD2 3.92Å; Q595-F648 HydrophobicContact CB-CE2 4.06Å; Q595-F648 HydrophobicContact CB-CG 4.23Å; Q595-F648 HydrophobicContact CB-CZ 4.49Å; Q595-F648 HydrophobicContact CG-CD1 4.43Å; Q595-F648 HydrophobicContact CG-CD2 4.46Å; Q595-F648 HydrophobicContact CG-CG 4.27Å
596	Y	89.8	Confident	84.1	Confident	34 Å²	34	79.8 Å²	79.8	13%	0.133	42%	0.42	C	S	.	.	H	α-helix	trans	-65.5	-41	175.1	179	-112.5	0	0	0	112.5	I592 V593 E594 R598 L599 R600 L620	I592-Y596 WeakPolarHBondContact O-CB 3.47Å; I592-Y596 PolarHBondContact O-N 3.03Å; V593-Y596 PolarHBondContact O-N 3.37Å; E594-Y596 VanDerWaalsContact C-N 3.33Å; E594-Y596 PolarHBondContact O-N 2.76Å; Y596-R598 PolarHBondContact O-N 3.21Å; Y596-L599 WeakPolarHBondContact O-CB 3.36Å; Y596-L599 PolarHBondContact O-N 3.11Å; Y596-R600 PolarHBondContact O-N 3.28Å; Y596-L620 HydrophobicContact CD1-CD2 4.29Å; Y596-L620 HydrophobicContact CD2-CB 3.89Å; Y596-L620 HydrophobicContact CD2-CD1 4.23Å; Y596-L620 HydrophobicContact CD2-CG 4.5Å; Y596-L620 HydrophobicContact CE1-CD2 4.43Å; Y596-L620 HydrophobicContact CE2-CB 3.95Å; Y596-L620 HydrophobicContact CG-CB 4.37Å; Y596-L620 HydrophobicContact CG-CD1 4.01Å; Y596-L620 HydrophobicContact CG-CD2 4.4Å
597	K	89.6	Confident	81.9	Confident	132 Å²	132	81 Å²	81	57%	0.574	43%	0.428	S	S	*	.	H	α-helix	trans	-60.4	-46	174	-173.8	179.5	179.4	-178	0	111.1	V593 E594 L599 R600 Q601	V593-K597 WeakPolarHBondContact O-CB 3.46Å; V593-K597 PolarHBondContact O-N 2.78Å; E594-K597 PolarHBondContact O-N 3.02Å; K597-L599 VanDerWaalsContact C-N 3.34Å; K597-L599 PolarHBondContact O-N 3.42Å; K597-R600 PolarHBondContact O-N 3.44Å; K597-Q601 HydrophobicContact CG-CG 4.49Å; K597-Q601 WeakPolarHBondContact O-CB 3.49Å; K597-Q601 VanDerWaalsContact O-CG 3.31Å; K597-Q601 WeakPolarHBondContact O-CG 3.29Å; K597-Q601 PolarHBondContact O-N 2.98Å
598	R	86.4	Confident	79.9	Confident	118 Å²	118	80.4 Å²	80.4	45%	0.445	43%	0.434	S	S	.	.	H	α-helix	trans	-60.8	-42.5	175.6	-70	174.6	-176.3	-175.3	-1.1	111.9	E594 Q595 Y596 R600 Q601 R602	E594-R598 VanDerWaalsContact CD-NH2 3.29Å; E594-R598 WeakPolarHBondContact O-CG 3.33Å; E594-R598 PolarHBondContact O-N 2.67Å; E594-R598 IonicContact OE1-CZ 2.69Å; E594-R598 IonicContact OE1-NE 3.74Å; E594-R598 PolarHBondContact OE1-NE 3.42Å; E594-R598 IonicContact OE1-NH2 3.11Å; E594-R598 PolarHBondContact OE1-NH2 3.34Å; E594-R598 IonicContact OE2-CZ 2.76Å; E594-R598 IonicContact OE2-NH2 2.79Å; Q595-R598 PolarHBondContact O-N 2.91Å; Y596-R598 PolarHBondContact O-N 3.21Å; R598-R600 VanDerWaalsContact C-N 3.33Å; R598-R600 PolarHBondContact O-N 2.91Å; R598-Q601 PolarHBondContact O-N 3.42Å; R598-R602 PolarHBondContact O-N 3.16Å; R598-R602 VanDerWaalsContact O-N 3.1Å
599	L	83.6	Confident	78	Confident	1 Å²	1	82.7 Å²	82.7	1%	0.005	45%	0.45	C	S	.	.	H	α-helix	trans	-58.5	-46.1	177.3	-168.9	65.7	0	0	0	111.2	Q595 Y596 K597 R602 D603 I615 M623 F648 L651 N652 I655	Q595-L599 WeakPolarHBondContact O-CB 3.49Å; Q595-L599 PolarHBondContact O-N 3.04Å; Y596-L599 WeakPolarHBondContact O-CB 3.36Å; Y596-L599 PolarHBondContact O-N 3.11Å; K597-L599 VanDerWaalsContact C-N 3.34Å; K597-L599 PolarHBondContact O-N 3.42Å; L599-R602 PolarHBondContact O-N 3.25Å; L599-D603 PolarHBondContact O-N 2.93Å; L599-I615 HydrophobicContact CD1-CD1 4.1Å; L599-I615 HydrophobicContact CD2-CD1 4.43Å; L599-I615 HydrophobicContact CD2-CG2 3.87Å; L599-I615 HydrophobicContact CG-CD1 3.73Å; L599-I615 HydrophobicContact CG-CG2 4.11Å; L599-I615 WeakPolarHBondContact O-CD1 3.44Å; L599-M623 HydrophobicContact CD2-CE 4.39Å; L599-F648 HydrophobicContact CB-CE2 4.15Å; L599-F648 HydrophobicContact CD1-CE2 4.05Å; L599-L651 HydrophobicContact CD2-CD2 4.21Å; L599-N652 WeakPolarHBondContact CD1-OD1 3.34Å; L599-I655 HydrophobicContact CD1-CD1 3.94Å
600	R	83.4	Confident	76.4	Confident	156 Å²	156	85.8 Å²	85.8	59%	0.589	46%	0.462	S	S	*	.	H	α-helix	trans	-74.1	-35.6	-179	-163.1	175.8	-175.1	-167	0.8	113.4	Y596 K597 R598 R602 D603 G604	Y596-R600 PolarHBondContact O-N 3.28Å; K597-R600 PolarHBondContact O-N 3.44Å; R598-R600 VanDerWaalsContact C-N 3.33Å; R598-R600 PolarHBondContact O-N 2.91Å; R600-R602 VanDerWaalsContact C-N 3.28Å; R600-R602 PolarHBondContact O-N 3.01Å; R600-D603 WeakPolarHBondContact O-CB 3.39Å; R600-D603 PolarHBondContact O-N 2.95Å; R600-G604 PolarHBondContact O-N 2.99Å; R600-G604 VanDerWaalsContact O-N 3.08Å
601	Q	82.5	Confident	74.8	Confident	117 Å²	117	80.5 Å²	80.5	55%	0.547	44%	0.441	S	S	.	.	H	α-helix	trans	-62.5	-37.8	174.2	-78.2	177.6	-21	0	0	111.8	K597 R598 D603 G604 S605	K597-Q601 HydrophobicContact CG-CG 4.49Å; K597-Q601 WeakPolarHBondContact O-CB 3.49Å; K597-Q601 VanDerWaalsContact O-CG 3.31Å; K597-Q601 WeakPolarHBondContact O-CG 3.29Å; K597-Q601 PolarHBondContact O-N 2.98Å; R598-Q601 PolarHBondContact O-N 3.42Å; Q601-D603 VanDerWaalsContact C-N 3.26Å; Q601-D603 PolarHBondContact O-N 3.17Å; Q601-G604 PolarHBondContact O-N 3.24Å; Q601-S605 PolarHBondContact O-N 3.46Å
602	R	73.2	Confident	73.1	Confident	108 Å²	108	79.5 Å²	79.5	41%	0.408	44%	0.439	S	S	.	.	H	α-helix	trans	-62.6	-33.5	175.1	-166.6	178.2	72.6	-157.6	-1.4	112.6	R598 L599 R600 N652	R598-R602 PolarHBondContact O-N 3.16Å; R598-R602 VanDerWaalsContact O-N 3.1Å; L599-R602 PolarHBondContact O-N 3.25Å; R600-R602 VanDerWaalsContact C-N 3.28Å; R600-R602 PolarHBondContact O-N 3.01Å; R602-N652 VanDerWaalsContact CZ-OD1 3.24Å; R602-N652 PolarHBondContact NH1-OD1 2.86Å; R602-N652 PolarHBondContact NH2-OD1 3.35Å
603	D	71.6	Confident	71.8	Confident	49 Å²	49	81.9 Å²	81.9	26%	0.262	45%	0.448	S	S	.	.	H	α-helix	trans	-76.3	-31.3	176.4	-157.8	43.4	0	0	0	112.6	L599 R600 Q601 S611 I615	L599-D603 PolarHBondContact O-N 2.93Å; R600-D603 WeakPolarHBondContact O-CB 3.39Å; R600-D603 PolarHBondContact O-N 2.95Å; Q601-D603 VanDerWaalsContact C-N 3.26Å; Q601-D603 PolarHBondContact O-N 3.17Å; D603-S611 WeakPolarHBondContact OD1-CB 3.32Å; D603-S611 PolarHBondContact OD1-OG 3.13Å; D603-I615 HydrophobicContact CB-CD1 3.77Å; D603-I615 HydrophobicContact CB-CG1 4.1Å; D603-I615 PolarHBondContact OD2-N 2.87Å
604	G	65.9	Low	70.7	Confident	67 Å²	67	87.5 Å²	87.5	69%	0.691	46%	0.459	S	S	*	.	H	α-helix	trans	-78.9	-14.8	-176.9	0	0	0	0	0	115.7	R600 Q601 G606	R600-G604 PolarHBondContact O-N 2.99Å; R600-G604 VanDerWaalsContact O-N 3.08Å; Q601-G604 PolarHBondContact O-N 3.24Å; G604-G606 PolarHBondContact O-N 2.93Å
605	S	58	Low	70	Confident	91 Å²	91	84.4 Å²	84.4	64%	0.636	45%	0.445	S	S	*	.			trans	-90.6	80.6	-179.6	-156.3	0	0	0	0	110.4	Q601 S607	Q601-S605 PolarHBondContact O-N 3.46Å; S605-S607 PolarHBondContact O-N 3.15Å
606	G	52.9	Low	69.6	Low	82 Å²	82	86.5 Å²	86.5	85%	0.845	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	26.7	-168.6	0	0	0	0	0	118.1	G604	G604-G606 PolarHBondContact O-N 2.93Å
607	S	44.5	Very low	69.5	Low	108 Å²	108	89 Å²	89	76%	0.755	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.3	-19.4	-173.8	156.2	0	0	0	0	115.4	S605	S605-S607 PolarHBondContact O-N 3.15Å
608	V	51.8	Low	69.3	Low	134 Å²	134	86.2 Å²	86.2	81%	0.812	46%	0.463	S	S	*	.	S	Bend	trans	-125.3	-21.2	-168.3	178.1	0	0	0	0	115.2
609	S	54.6	Low	69.3	Low	48 Å²	48	81.2 Å²	81.2	34%	0.336	45%	0.445	S	S	.	.			trans	-165.6	109.6	171.7	-169.3	0	0	0	0	109.8	S611	S609-S611 PolarHBondContact O-N 2.96Å; S609-S611 VanDerWaalsContact O-N 3.08Å
610	K	58.8	Low	69.7	Low	183 Å²	183	83 Å²	83	80%	0.796	45%	0.454	S	S	*	.			trans	-66.2	109.8	173	-159.3	170.8	-173.9	171.2	0	106.9	V658	K610-V658 WeakPolarHBondContact O-CB 3.27Å
611	S	60.3	Low	70	Confident	33 Å²	33	79.5 Å²	79.5	23%	0.231	44%	0.444	C	S	.	.	B	Isolated β-bridge	trans	-58.5	144.8	173.8	68.2	0	0	0	0	108.8	D603 S609 W613	D603-S611 WeakPolarHBondContact OD1-CB 3.32Å; D603-S611 PolarHBondContact OD1-OG 3.13Å; S609-S611 PolarHBondContact O-N 2.96Å; S609-S611 VanDerWaalsContact O-N 3.08Å; S611-W613 PolarHBondContact O-N 3.06Å; S611-W613 PolarHBondContact OG-O 3.14Å
612	A	59.5	Low	70.3	Confident	16 Å²	16	73.9 Å²	73.9	13%	0.132	42%	0.418	C	S	.	.	S	Bend	trans	-65.3	-11.7	-179.4	0	0	0	0	0	113.1	L514 I656 V658	L514-A612 HydrophobicContact CB-CB 4.04Å; A612-I656 PolarHBondContact N-O 2.9Å; A612-V658 HydrophobicContact CB-CG2 3.69Å
613	W	65.2	Low	71.2	Confident	59 Å²	59	68.8 Å²	68.8	22%	0.223	40%	0.399	C	S	.	.	S	Bend	trans	-154.3	135.9	-168.2	-177.7	-99.6	0	0	0	113.4	A522 M525 S611	A522-W613 HydrophobicContact CB-CH2 4.42Å; M525-W613 HydrophobicContact CB-CH2 3.7Å; M525-W613 HydrophobicContact CB-CZ2 4.38Å; M525-W613 HydrophobicContact CB-CZ3 3.89Å; M525-W613 HydrophobicContact CE-CE3 3.96Å; M525-W613 HydrophobicContact CE-CZ3 3.86Å; M525-W613 HydrophobicContact SD-CZ3 3.93Å; S611-W613 PolarHBondContact O-N 3.06Å; S611-W613 PolarHBondContact OG-O 3.14Å
614	R	70.1	Confident	72.2	Confident	210 Å²	210	68.5 Å²	68.5	79%	0.792	40%	0.397	S	S	*	.			trans	-71.4	131.9	177.1	-67.5	-169.2	-162.6	160.4	3	112
615	I	78.6	Confident	73.5	Confident	18 Å²	18	66.4 Å²	66.4	9%	0.092	37%	0.368	C	S	.	.			trans	-80.7	126.2	-178.8	-54.6	-176.8	0	0	0	110.4	L599 D603 Q619 I655	L599-I615 HydrophobicContact CD1-CD1 4.1Å; L599-I615 HydrophobicContact CD2-CD1 4.43Å; L599-I615 HydrophobicContact CD2-CG2 3.87Å; L599-I615 HydrophobicContact CG-CD1 3.73Å; L599-I615 HydrophobicContact CG-CG2 4.11Å; L599-I615 WeakPolarHBondContact O-CD1 3.44Å; D603-I615 HydrophobicContact CB-CD1 3.77Å; D603-I615 HydrophobicContact CB-CG1 4.1Å; D603-I615 PolarHBondContact OD2-N 2.87Å; I615-Q619 HydrophobicContact CG2-CB 4.45Å; I615-I655 HydrophobicContact CD1-CD1 4.44Å
616	T	82.6	Confident	75.2	Confident	53 Å²	53	62.1 Å²	62.1	33%	0.325	34%	0.338	S	S	.	.			trans	-122.2	170.7	-177.8	68.8	0	0	0	0	112.1	R618 Q619	T616-R618 PolarHBondContact O-N 3.27Å; T616-Q619 WeakPolarHBondContact O-CB 3.38Å; T616-Q619 PolarHBondContact O-N 3.46Å
617	V	86.4	Confident	77.2	Confident	86 Å²	86	58.2 Å²	58.2	52%	0.521	30%	0.298	S	S	.	.	H	α-helix	trans	-59.6	-25.9	177.3	-175	0	0	0	0	112.4	Q619 L620 E621	V617-Q619 PolarHBondContact O-N 3.45Å; V617-Q619 VanDerWaalsContact O-N 3.17Å; V617-L620 WeakPolarHBondContact O-CA 3.48Å; V617-L620 VanDerWaalsContact O-CB 3.24Å; V617-L620 WeakPolarHBondContact O-CB 3.36Å; V617-L620 PolarHBondContact O-N 2.92Å; V617-E621 PolarHBondContact O-N 2.78Å
618	R	86.1	Confident	79.5	Confident	73 Å²	73	53.2 Å²	53.2	28%	0.275	26%	0.263	S	S	.	.	H	α-helix	trans	-60.5	-28.2	175.6	-65.1	-177.4	179.9	177.6	-3	112.9	E476 S526 R527 T616 L620 E621 S622	E476-R618 IonicContact OE1-NH2 2.73Å; S526-R618 WeakPolarHBondContact O-CD 3.36Å; S526-R618 PolarHBondContact OG-NH1 3.06Å; R527-R618 VanDerWaalsContact NH1-NH2 3.11Å; T616-R618 PolarHBondContact O-N 3.27Å; R618-L620 VanDerWaalsContact C-N 3.32Å; R618-E621 PolarHBondContact O-N 2.89Å; R618-S622 WeakPolarHBondContact O-CB 3.41Å; R618-S622 PolarHBondContact O-N 3.31Å; R618-S622 PolarHBondContact O-OG 3.11Å
619	Q	86.8	Confident	81.5	Confident	13 Å²	13	46.9 Å²	46.9	6%	0.061	22%	0.224	C	C	.	.	H	α-helix	trans	-72.3	-28.8	175.8	-60.8	-62.2	-42.9	0	0	111.8	I615 T616 V617 S622 M623	I615-Q619 HydrophobicContact CG2-CB 4.45Å; T616-Q619 WeakPolarHBondContact O-CB 3.38Å; T616-Q619 PolarHBondContact O-N 3.46Å; V617-Q619 PolarHBondContact O-N 3.45Å; V617-Q619 VanDerWaalsContact O-N 3.17Å; Q619-S622 WeakPolarHBondContact O-CB 3.44Å; Q619-M623 WeakPolarHBondContact O-CB 3.46Å; Q619-M623 PolarHBondContact O-N 2.89Å
620	L	90.5	Very high	83.3	Confident	38 Å²	38	45.1 Å²	45.1	20%	0.199	21%	0.211	C	C	.	.	H	α-helix	trans	-68.3	-45.8	170.9	178.3	62	0	0	0	110.8	I592 Y596 V617 R618 S622 M623 I624	I592-L620 HydrophobicContact CG2-CD1 3.48Å; I592-L620 VanDerWaalsContact CG2-CD1 3.48Å; Y596-L620 HydrophobicContact CD1-CD2 4.29Å; Y596-L620 HydrophobicContact CD2-CB 3.89Å; Y596-L620 HydrophobicContact CD2-CD1 4.23Å; Y596-L620 HydrophobicContact CD2-CG 4.5Å; Y596-L620 HydrophobicContact CE1-CD2 4.43Å; Y596-L620 HydrophobicContact CE2-CB 3.95Å; Y596-L620 HydrophobicContact CG-CB 4.37Å; Y596-L620 HydrophobicContact CG-CD1 4.01Å; Y596-L620 HydrophobicContact CG-CD2 4.4Å; V617-L620 WeakPolarHBondContact O-CA 3.48Å; V617-L620 VanDerWaalsContact O-CB 3.24Å; V617-L620 WeakPolarHBondContact O-CB 3.36Å; V617-L620 PolarHBondContact O-N 2.92Å; R618-L620 VanDerWaalsContact C-N 3.32Å; L620-S622 VanDerWaalsContact C-N 3.28Å; L620-S622 PolarHBondContact O-N 2.98Å; L620-M623 WeakPolarHBondContact O-CB 3.39Å; L620-M623 PolarHBondContact O-N 2.8Å; L620-I624 HydrophobicContact CG-CD1 4.4Å; L620-I624 WeakPolarHBondContact O-CG1 3.22Å; L620-I624 PolarHBondContact O-N 3.41Å
621	E	89.4	Confident	85	Confident	83 Å²	83	36.4 Å²	36.4	39%	0.388	17%	0.173	S	C	.	.	H	α-helix	trans	-58.9	-41.8	173.9	-66	176.1	-160.8	0	0	111.7	V617 R618 M623 I624 R625	V617-E621 PolarHBondContact O-N 2.78Å; R618-E621 PolarHBondContact O-N 2.89Å; E621-M623 PolarHBondContact O-N 3.32Å; E621-I624 PolarHBondContact O-N 2.84Å; E621-R625 WeakPolarHBondContact O-CG 3.41Å; E621-R625 PolarHBondContact O-N 3.18Å; E621-R625 IonicContact OE2-NH2 3.33Å; E621-R625 PolarHBondContact OE2-NH2 3.39Å
622	S	90.6	Very high	86.5	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-59.8	-45.2	175.3	-58.9	0	0	0	0	111.9	D529 R618 Q619 L620 I624 R625 L626	D529-S622 WeakPolarHBondContact CB-OG 3.43Å; D529-S622 VanDerWaalsContact CG-OG 3.29Å; D529-S622 PolarHBondContact OD1-OG 2.85Å; R618-S622 WeakPolarHBondContact O-CB 3.41Å; R618-S622 PolarHBondContact O-N 3.31Å; R618-S622 PolarHBondContact O-OG 3.11Å; Q619-S622 WeakPolarHBondContact O-CB 3.44Å; L620-S622 VanDerWaalsContact C-N 3.28Å; L620-S622 PolarHBondContact O-N 2.98Å; S622-I624 VanDerWaalsContact C-N 3.3Å; S622-I624 PolarHBondContact O-N 2.81Å; S622-R625 PolarHBondContact O-N 2.74Å; S622-L626 WeakPolarHBondContact O-CB 3.41Å; S622-L626 VanDerWaalsContact O-CG 3.28Å; S622-L626 WeakPolarHBondContact O-CG 3.05Å; S622-L626 PolarHBondContact O-N 2.91Å
623	M	91.8	Very high	88	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-61.1	-39.6	177.8	-171.2	-176.7	-56.2	0	0	111.9	I592 Q595 L599 Q619 L620 E621 S627 V644 F648 L651	I592-M623 HydrophobicContact CG2-SD 4.35Å; Q595-M623 HydrophobicContact CB-SD 4.31Å; L599-M623 HydrophobicContact CD2-CE 4.39Å; Q619-M623 WeakPolarHBondContact O-CB 3.46Å; Q619-M623 PolarHBondContact O-N 2.89Å; L620-M623 WeakPolarHBondContact O-CB 3.39Å; L620-M623 PolarHBondContact O-N 2.8Å; E621-M623 PolarHBondContact O-N 3.32Å; M623-S627 WeakPolarHBondContact O-CB 3.37Å; M623-S627 PolarHBondContact O-N 2.85Å; M623-S627 PolarHBondContact O-OG 3.42Å; M623-V644 HydrophobicContact SD-CG1 4.48Å; M623-F648 HydrophobicContact CE-CD2 3.78Å; M623-F648 HydrophobicContact CE-CE2 4.46Å; M623-L651 HydrophobicContact CB-CD2 4.39Å; M623-L651 HydrophobicContact CE-CD2 3.89Å
624	I	93	Very high	89.2	Confident	44 Å²	44	34.3 Å²	34.3	23%	0.226	16%	0.158	C	C	.	.	H	α-helix	trans	-64.5	-50.4	176	-66.1	164.6	0	0	0	110.2	I584 I592 L620 E621 S622 L626 S627 E628	I584-I624 HydrophobicContact CD1-CG2 3.73Å; I592-I624 HydrophobicContact CD1-CG1 4.36Å; I592-I624 HydrophobicContact CG2-CG1 4.41Å; L620-I624 HydrophobicContact CG-CD1 4.4Å; L620-I624 WeakPolarHBondContact O-CG1 3.22Å; L620-I624 PolarHBondContact O-N 3.41Å; E621-I624 PolarHBondContact O-N 2.84Å; S622-I624 VanDerWaalsContact C-N 3.3Å; S622-I624 PolarHBondContact O-N 2.81Å; I624-L626 PolarHBondContact O-N 2.85Å; I624-S627 PolarHBondContact O-N 3.06Å; I624-S627 VanDerWaalsContact O-N 3.15Å; I624-E628 HydrophobicContact CG2-CG 4.44Å; I624-E628 WeakPolarHBondContact O-CG 3.24Å; I624-E628 PolarHBondContact O-N 2.98Å
625	R	93	Very high	90.1	Very high	23 Å²	23	25.5 Å²	25.5	9%	0.087	13%	0.129	C	C	.	.	H	α-helix	trans	-58.8	-43.9	178.8	-69.1	177.4	-170	133.9	10.8	112.5	R385 V388 D529 E621 S622 S627 E628 A629	R385-R625 VanDerWaalsContact NH2-NH1 3.11Å; R385-R625 PolarHBondContact O-NE 3.44Å; R385-R625 PolarHBondContact O-NH2 3.18Å; V388-R625 HydrophobicContact CG2-CB 3.97Å; D529-R625 IonicContact OD1-NH1 2.75Å; D529-R625 IonicContact OD2-NH1 3.93Å; E621-R625 WeakPolarHBondContact O-CG 3.41Å; E621-R625 PolarHBondContact O-N 3.18Å; E621-R625 IonicContact OE2-NH2 3.33Å; E621-R625 PolarHBondContact OE2-NH2 3.39Å; S622-R625 PolarHBondContact O-N 2.74Å; R625-S627 VanDerWaalsContact C-N 3.34Å; R625-S627 PolarHBondContact O-N 2.9Å; R625-E628 PolarHBondContact O-N 2.95Å; R625-A629 WeakPolarHBondContact O-CB 3.27Å; R625-A629 PolarHBondContact O-N 2.92Å
626	L	93.6	Very high	90.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-64.3	-39	177.2	-70.4	171.3	0	0	0	111.8	L368 V388 L530 S622 I624 A629 M630 A647	L368-L626 HydrophobicContact CB-CD2 4.26Å; L368-L626 HydrophobicContact CD1-CD2 3.98Å; V388-L626 HydrophobicContact CG1-CD2 3.85Å; V388-L626 HydrophobicContact CG2-CD2 4.18Å; L530-L626 HydrophobicContact CD1-CD1 4.34Å; L530-L626 HydrophobicContact CD1-CD2 3.82Å; L530-L626 HydrophobicContact CD2-CD1 3.89Å; L530-L626 HydrophobicContact CG-CD1 4.18Å; L530-L626 HydrophobicContact CG-CD2 4.39Å; S622-L626 WeakPolarHBondContact O-CB 3.41Å; S622-L626 VanDerWaalsContact O-CG 3.28Å; S622-L626 WeakPolarHBondContact O-CG 3.05Å; S622-L626 PolarHBondContact O-N 2.91Å; I624-L626 PolarHBondContact O-N 2.85Å; L626-A629 PolarHBondContact O-N 3.4Å; L626-M630 WeakPolarHBondContact O-CB 3.48Å; L626-M630 PolarHBondContact O-N 3.46Å; L626-A647 HydrophobicContact CB-CB 3.92Å
627	S	94.4	Very high	91	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.007	15%	0.149	C	C	.	.	H	α-helix	trans	-67.8	-38.5	177.4	-56.8	0	0	0	0	112	M623 I624 R625 A631	M623-S627 WeakPolarHBondContact O-CB 3.37Å; M623-S627 PolarHBondContact O-N 2.85Å; M623-S627 PolarHBondContact O-OG 3.42Å; I624-S627 PolarHBondContact O-N 3.06Å; I624-S627 VanDerWaalsContact O-N 3.15Å; R625-S627 VanDerWaalsContact C-N 3.34Å; R625-S627 PolarHBondContact O-N 2.9Å; S627-A631 PolarHBondContact O-N 2.87Å
628	E	93.4	Very high	91.4	Very high	3 Å²	3	30 Å²	30	1%	0.014	15%	0.147	C	C	.	.	H	α-helix	trans	-66.9	-44.3	173.7	-71.7	174.5	177.2	0	0	111.9	V374 K376 P582 I624 R625 M630 A631 R632 V639	V374-E628 WeakPolarHBondContact CB-OE2 3.33Å; V374-E628 HydrophobicContact CG2-CB 4.28Å; V374-E628 HydrophobicContact CG2-CG 4.41Å; V374-E628 PolarHBondContact N-OE2 2.97Å; K376-E628 WeakPolarHBondContact CE-OE1 2.91Å; K376-E628 IonicContact NZ-OE1 3.32Å; K376-E628 PolarHBondContact NZ-OE1 3.37Å; P582-E628 HydrophobicContact CG-CB 4.29Å; I624-E628 HydrophobicContact CG2-CG 4.44Å; I624-E628 WeakPolarHBondContact O-CG 3.24Å; I624-E628 PolarHBondContact O-N 2.98Å; R625-E628 PolarHBondContact O-N 2.95Å; E628-M630 VanDerWaalsContact C-N 3.3Å; E628-M630 PolarHBondContact O-N 2.77Å; E628-A631 PolarHBondContact O-N 2.65Å; E628-R632 PolarHBondContact O-N 2.89Å; E628-V639 HydrophobicContact CG-CG2 4.25Å
629	A	93.5	Very high	91.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-61.2	-39.4	175.9	0	0	0	0	0	111.7	L368 R625 L626 R632 M633	L368-A629 HydrophobicContact CD2-CB 4.34Å; R625-A629 WeakPolarHBondContact O-CB 3.27Å; R625-A629 PolarHBondContact O-N 2.92Å; L626-A629 PolarHBondContact O-N 3.4Å; A629-R632 WeakPolarHBondContact O-CB 3.42Å; A629-R632 PolarHBondContact O-N 2.9Å; A629-M633 PolarHBondContact O-N 2.65Å
630	M	92.8	Very high	92.1	Very high	11 Å²	11	28.8 Å²	28.8	5%	0.054	15%	0.145	C	C	.	.	H	α-helix	trans	-66	-39.9	175.1	-165.8	74.5	170	0	0	112.1	Y345 L368 L626 E628 M633 H634 H643 E646	Y345-M630 HydrophobicContact CD1-CE 4.01Å; Y345-M630 HydrophobicContact CD2-CE 4.31Å; Y345-M630 HydrophobicContact CE1-CE 3.96Å; Y345-M630 HydrophobicContact CE2-CE 4.26Å; Y345-M630 HydrophobicContact CE2-SD 4.18Å; Y345-M630 HydrophobicContact CG-CE 4.15Å; L368-M630 HydrophobicContact CD2-CB 4.18Å; L368-M630 HydrophobicContact CD2-SD 3.74Å; L626-M630 WeakPolarHBondContact O-CB 3.48Å; L626-M630 PolarHBondContact O-N 3.46Å; E628-M630 VanDerWaalsContact C-N 3.3Å; E628-M630 PolarHBondContact O-N 2.77Å; M630-M633 HydrophobicContact CE-CE 3.64Å; M630-M633 HydrophobicContact CG-CE 4.4Å; M630-M633 PolarHBondContact O-N 3.17Å; M630-M633 HydrophobicContact SD-CE 3.46Å; M630-M633 WeakPolarHBondContact SD-CE 3.32Å; M630-H634 PolarHBondContact O-CD2 3.31Å; M630-H634 PolarHBondContact O-N 3.32Å; M630-H643 HydrophobicContact CB-CB 4.19Å; M630-H643 HydrophobicContact CG-CB 4.15Å; M630-E646 HydrophobicContact CE-CB 4.31Å; M630-E646 HydrophobicContact CE-CG 3.7Å
631	A	92.9	Very high	92.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-64.9	-39.7	175.3	0	0	0	0	0	111.8	P582 S627 E628 H634 C635 C636 V639	P582-A631 HydrophobicContact CB-CB 3.83Å; P582-A631 HydrophobicContact CG-CB 4.03Å; S627-A631 PolarHBondContact O-N 2.87Å; E628-A631 PolarHBondContact O-N 2.65Å; A631-H634 PolarHBondContact O-N 3.29Å; A631-C635 PolarHBondContact O-N 2.87Å; A631-C636 PolarHBondContact O-N 3.1Å; A631-V639 HydrophobicContact CB-CG2 4.1Å
632	R	91.6	Very high	92.4	Very high	15 Å²	15	32 Å²	32	6%	0.057	16%	0.159	C	C	.	.	H	α-helix	trans	-60.6	-42.7	173.3	-78.6	175.5	164.3	-177.1	-2.4	112.9	G372 G373 F580 P582 E628 A629 H634 C635	G372-R632 VanDerWaalsContact O-CD 3.26Å; G372-R632 WeakPolarHBondContact O-CD 3.35Å; G372-R632 PolarHBondContact O-NH1 2.93Å; G373-R632 PolarHBondContact O-NH1 3.01Å; F580-R632 HydrophobicContact CB-CG 4.47Å; F580-R632 PolarHBondContact O-NE 2.8Å; F580-R632 PolarHBondContact O-NH2 3.08Å; P582-R632 HydrophobicContact CG-CG 3.94Å; E628-R632 PolarHBondContact O-N 2.89Å; A629-R632 WeakPolarHBondContact O-CB 3.42Å; A629-R632 PolarHBondContact O-N 2.9Å; R632-H634 PolarHBondContact O-N 3.03Å; R632-C635 PolarHBondContact O-N 3.38Å
633	M	91.8	Very high	92.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-57.9	-35.7	177.7	178.2	-173.7	71.7	0	0	112.3	L344 Y345 L348 L367 F371 Y573 A629 M630 C635	L344-M633 HydrophobicContact CD2-CG 4.45Å; Y345-M633 HydrophobicContact CD2-CE 3.56Å; Y345-M633 HydrophobicContact CD2-SD 3.45Å; Y345-M633 WeakPolarHBondContact CD2-SD 3.47Å; Y345-M633 HydrophobicContact CE2-CE 4.29Å; Y345-M633 HydrophobicContact CE2-SD 4.16Å; Y345-M633 HydrophobicContact CG-CE 3.87Å; Y345-M633 HydrophobicContact CG-SD 4.24Å; L348-M633 HydrophobicContact CD1-CG 4.48Å; L367-M633 HydrophobicContact CD2-CG 4.42Å; L367-M633 HydrophobicContact CD2-SD 3.41Å; L367-M633 WeakPolarHBondContact CD2-SD 3.5Å; F371-M633 HydrophobicContact CD1-CB 4.36Å; F371-M633 HydrophobicContact CD2-CB 4Å; F371-M633 HydrophobicContact CD2-CG 4.19Å; F371-M633 HydrophobicContact CE1-CB 4.28Å; F371-M633 HydrophobicContact CE1-CG 4.44Å; F371-M633 HydrophobicContact CE2-CB 3.95Å; F371-M633 HydrophobicContact CE2-CG 3.66Å; F371-M633 HydrophobicContact CE2-SD 4.28Å; F371-M633 HydrophobicContact CG-CB 4.23Å; F371-M633 HydrophobicContact CZ-CB 4.08Å; F371-M633 HydrophobicContact CZ-CG 3.8Å; Y573-M633 WeakPolarHBondContact CE1-O 3.37Å; Y573-M633 PolarHBondContact OH-O 3.24Å; A629-M633 PolarHBondContact O-N 2.65Å; M630-M633 HydrophobicContact CE-CE 3.64Å; M630-M633 HydrophobicContact CG-CE 4.4Å; M630-M633 PolarHBondContact O-N 3.17Å; M630-M633 HydrophobicContact SD-CE 3.46Å; M630-M633 WeakPolarHBondContact SD-CE 3.32Å; M633-C635 VanDerWaalsContact C-N 3.31Å
634	H	91	Very high	92.7	Very high	49 Å²	49	32.6 Å²	32.6	23%	0.227	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	7.4	176.3	-71	-66.5	0	0	0	113.8	M630 A631 R632 C636 H643	M630-H634 PolarHBondContact O-CD2 3.31Å; M630-H634 PolarHBondContact O-N 3.32Å; A631-H634 PolarHBondContact O-N 3.29Å; R632-H634 PolarHBondContact O-N 3.03Å; H634-C636 PolarHBondContact O-N 2.89Å; H634-H643 AromaticContact CD2-NE2 3.97Å
635	C	89.1	Confident	92.7	Very high	26 Å²	26	36.1 Å²	36.1	18%	0.176	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	35.9	-174.9	-63.8	0	0	0	0	113.4	Y573 F580 A631 R632 M633	Y573-C635 PolarHBondContact OH-SG 3.44Å; F580-C635 HydrophobicContact CE2-CB 4.11Å; F580-C635 HydrophobicContact CZ-CB 4.27Å; A631-C635 PolarHBondContact O-N 2.87Å; R632-C635 PolarHBondContact O-N 3.38Å; M633-C635 VanDerWaalsContact C-N 3.31Å
636	C	89.4	Confident	92.6	Very high	35 Å²	35	37 Å²	37	24%	0.236	18%	0.181	C	C	.	.			trans	-93	137	177.3	-69.7	0	0	0	0	111.1	A631 H634 E638	A631-C636 PolarHBondContact O-N 3.1Å; H634-C636 PolarHBondContact O-N 2.89Å; C636-E638 VanDerWaalsContact C-N 3.28Å; C636-E638 PolarHBondContact O-N 3.29Å
637	D	90.6	Very high	92.6	Very high	111 Å²	111	37.2 Å²	37.2	59%	0.594	18%	0.182	S	C	*	.	S	Bend	trans	-79.4	-9.5	173.8	-78.8	-35.2	0	0	0	113.8	F580 P582 K583	F580-D637 WeakPolarHBondContact CD1-OD1 3.21Å; P582-D637 CarbonylContact C-O 3.54Å; P582-D637 VanDerWaalsContact CA-O 3.24Å; P582-D637 WeakPolarHBondContact CA-O 3.37Å; K583-D637 PolarHBondContact N-O 3.4Å
638	E	93.4	Very high	92.4	Very high	104 Å²	104	38.8 Å²	38.8	49%	0.486	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	142.8	180	58.6	174.6	-161.6	0	0	112.4	K583 C636 Q640	K583-E638 CarbonylContact O-C 3.59Å; K583-E638 WeakPolarHBondContact O-CA 3.15Å; C636-E638 VanDerWaalsContact C-N 3.28Å; C636-E638 PolarHBondContact O-N 3.29Å; E638-Q640 PolarHBondContact O-N 3.43Å
639	V	95	Very high	92.3	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.006	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	117.5	172.9	-175.9	0	0	0	0	108.5	P582 K583 I584 S585 S588 E628 A631 H643 V644	P582-V639 HydrophobicContact CB-CG2 4.17Å; K583-V639 PolarHBondContact O-N 3.35Å; I584-V639 HydrophobicContact CG1-CG2 4.3Å; S585-V639 PolarHBondContact OG-O 3.09Å; S588-V639 PolarHBondContact OG-O 2.99Å; E628-V639 HydrophobicContact CG-CG2 4.25Å; A631-V639 HydrophobicContact CB-CG2 4.1Å; V639-H643 HydrophobicContact CG1-CB 4.28Å; V639-V644 HydrophobicContact CG1-CG2 4Å
640	Q	93.8	Very high	92.1	Very high	61 Å²	61	41.9 Å²	41.9	29%	0.285	20%	0.201	S	C	.	.			trans	-93.3	157	175.4	-63.4	-176.6	-1.4	0	0	111.5	E638 K642 H643 V644	E638-Q640 PolarHBondContact O-N 3.43Å; Q640-K642 PolarHBondContact O-N 2.88Å; Q640-H643 PolarHBondContact N-ND1 3.23Å; Q640-H643 WeakPolarHBondContact O-CB 3.47Å; Q640-H643 PolarHBondContact O-N 2.72Å; Q640-V644 PolarHBondContact O-N 2.69Å
641	P	93.8	Very high	91.8	Very high	35 Å²	35	41.4 Å²	41.4	23%	0.227	20%	0.198	C	C	.	.	H	α-helix	trans	-58.4	-24.3	177.7	-26.8	35.1	0	0	0	113.8	S588 V644 K645	S588-P641 WeakPolarHBondContact OG-CD 3.4Å; P641-V644 PolarHBondContact O-N 3.45Å; P641-K645 VanDerWaalsContact O-CG 3.31Å; P641-K645 WeakPolarHBondContact O-CG 3.48Å; P641-K645 PolarHBondContact O-N 2.88Å
642	K	92.8	Very high	91.4	Very high	152 Å²	152	42.8 Å²	42.8	66%	0.661	21%	0.206	S	C	*	.	H	α-helix	trans	-61.8	-41.7	174.8	-64.3	176.4	-176.4	169.1	0	112	Q640 K645 E646	Q640-K642 PolarHBondContact O-N 2.88Å; K642-K645 PolarHBondContact O-N 3.12Å; K642-E646 PolarHBondContact O-N 3.16Å
643	H	93.8	Very high	91	Very high	13 Å²	13	47.7 Å²	47.7	6%	0.06	23%	0.228	C	C	.	.	H	α-helix	trans	-66.3	-42.5	178.8	-52.7	151.9	0	0	0	110.5	M630 H634 V639 Q640 E646 A647	M630-H643 HydrophobicContact CB-CB 4.19Å; M630-H643 HydrophobicContact CG-CB 4.15Å; H634-H643 AromaticContact CD2-NE2 3.97Å; V639-H643 HydrophobicContact CG1-CB 4.28Å; Q640-H643 PolarHBondContact N-ND1 3.23Å; Q640-H643 WeakPolarHBondContact O-CB 3.47Å; Q640-H643 PolarHBondContact O-N 2.72Å; H643-E646 PolarHBondContact O-N 2.69Å; H643-A647 WeakPolarHBondContact O-CB 3.41Å; H643-A647 PolarHBondContact O-N 3.32Å
644	V	94.4	Very high	90.3	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-64.4	-42.1	178.2	-176.6	0	0	0	0	111.6	F591 I592 M623 V639 Q640 P641 E646 A647 F648	F591-V644 HydrophobicContact CD1-CB 3.97Å; F591-V644 HydrophobicContact CD1-CG1 3.73Å; F591-V644 HydrophobicContact CE1-CB 4.38Å; F591-V644 HydrophobicContact CE1-CG1 4.15Å; I592-V644 HydrophobicContact CD1-CG2 4.05Å; I592-V644 HydrophobicContact CG1-CB 4.33Å; I592-V644 HydrophobicContact CG1-CG1 3.51Å; I592-V644 HydrophobicContact CG1-CG2 3.81Å; M623-V644 HydrophobicContact SD-CG1 4.48Å; V639-V644 HydrophobicContact CG1-CG2 4Å; Q640-V644 PolarHBondContact O-N 2.69Å; P641-V644 PolarHBondContact O-N 3.45Å; V644-E646 VanDerWaalsContact C-N 3.32Å; V644-E646 PolarHBondContact O-N 3.15Å; V644-A647 PolarHBondContact O-N 3.37Å; V644-F648 VanDerWaalsContact O-CB 3.26Å; V644-F648 WeakPolarHBondContact O-CB 3.21Å; V644-F648 PolarHBondContact O-N 3.04Å
645	K	93.3	Very high	89.4	Confident	118 Å²	118	47.7 Å²	47.7	51%	0.513	23%	0.23	S	C	.	.	H	α-helix	trans	-58.6	-44.1	176.3	-75.7	175	-175.8	178.6	0	111.9	F591 P641 K642 F648 R649	F591-K645 HydrophobicContact CE1-CD 4.38Å; F591-K645 HydrophobicContact CE1-CG 3.43Å; F591-K645 VanDerWaalsContact CE1-CG 3.43Å; F591-K645 HydrophobicContact CZ-CD 4.14Å; F591-K645 VanDerWaalsContact CZ-CE 3.42Å; F591-K645 HydrophobicContact CZ-CG 3.54Å; P641-K645 VanDerWaalsContact O-CG 3.31Å; P641-K645 WeakPolarHBondContact O-CG 3.48Å; P641-K645 PolarHBondContact O-N 2.88Å; K642-K645 PolarHBondContact O-N 3.12Å; K645-F648 PolarHBondContact O-N 3.49Å; K645-R649 WeakPolarHBondContact O-CB 3.49Å; K645-R649 PolarHBondContact O-N 2.8Å
646	E	91.1	Very high	88.1	Confident	43 Å²	43	49.1 Å²	49.1	20%	0.201	24%	0.235	C	C	.	.	H	α-helix	trans	-71.7	-41.9	179.7	-176.9	57.5	-165.8	0	0	112.1	Y345 M630 K642 H643 V644 F648 R649 L650	Y345-E646 HydrophobicContact CE1-CG 4.41Å; M630-E646 HydrophobicContact CE-CB 4.31Å; M630-E646 HydrophobicContact CE-CG 3.7Å; K642-E646 PolarHBondContact O-N 3.16Å; H643-E646 PolarHBondContact O-N 2.69Å; V644-E646 VanDerWaalsContact C-N 3.32Å; V644-E646 PolarHBondContact O-N 3.15Å; E646-F648 VanDerWaalsContact C-N 3.3Å; E646-F648 PolarHBondContact O-N 3.36Å; E646-R649 VanDerWaalsContact CD-NE 3.29Å; E646-R649 WeakPolarHBondContact O-CB 3.46Å; E646-R649 PolarHBondContact O-N 3.49Å; E646-R649 VanDerWaalsContact O-N 3.14Å; E646-R649 IonicContact OE1-CZ 2.81Å; E646-R649 VanDerWaalsContact OE1-CZ 3.27Å; E646-R649 IonicContact OE1-NE 3.34Å; E646-R649 PolarHBondContact OE1-NE 3.43Å; E646-R649 VanDerWaalsContact OE1-NE 3.11Å; E646-R649 IonicContact OE1-NH2 3.21Å; E646-R649 PolarHBondContact OE1-NH2 2.9Å; E646-R649 WeakPolarHBondContact OE2-CD 3.38Å; E646-R649 IonicContact OE2-CZ 3.7Å; E646-R649 IonicContact OE2-NE 3.97Å; E646-R649 PolarHBondContact OE2-NE 3.42Å; E646-R649 IonicContact OE2-NH2 2.78Å; E646-L650 PolarHBondContact O-N 3.4Å
647	A	92.1	Very high	86.5	Confident	3 Å²	3	55.6 Å²	55.6	3%	0.025	26%	0.255	C	S	.	.	H	α-helix	trans	-58.9	-42.2	172.9	0	0	0	0	0	111.5	L626 H643 V644 L650 L651	L626-A647 HydrophobicContact CB-CB 3.92Å; H643-A647 WeakPolarHBondContact O-CB 3.41Å; H643-A647 PolarHBondContact O-N 3.32Å; V644-A647 PolarHBondContact O-N 3.37Å; A647-L650 PolarHBondContact O-N 3Å; A647-L651 WeakPolarHBondContact O-CB 3.18Å; A647-L651 PolarHBondContact O-N 3.04Å
648	F	91.1	Very high	84.8	Confident	34 Å²	34	51.4 Å²	51.4	15%	0.149	23%	0.233	C	C	.	.	H	α-helix	trans	-64.8	-39	174.5	179.6	-112	0	0	0	112.4	Q595 L599 M623 V644 K645 E646 L651 N652	Q595-F648 HydrophobicContact CB-CD2 3.92Å; Q595-F648 HydrophobicContact CB-CE2 4.06Å; Q595-F648 HydrophobicContact CB-CG 4.23Å; Q595-F648 HydrophobicContact CB-CZ 4.49Å; Q595-F648 HydrophobicContact CG-CD1 4.43Å; Q595-F648 HydrophobicContact CG-CD2 4.46Å; Q595-F648 HydrophobicContact CG-CG 4.27Å; L599-F648 HydrophobicContact CB-CE2 4.15Å; L599-F648 HydrophobicContact CD1-CE2 4.05Å; M623-F648 HydrophobicContact CE-CD2 3.78Å; M623-F648 HydrophobicContact CE-CE2 4.46Å; V644-F648 VanDerWaalsContact O-CB 3.26Å; V644-F648 WeakPolarHBondContact O-CB 3.21Å; V644-F648 PolarHBondContact O-N 3.04Å; K645-F648 PolarHBondContact O-N 3.49Å; E646-F648 VanDerWaalsContact C-N 3.3Å; E646-F648 PolarHBondContact O-N 3.36Å; F648-L651 PolarHBondContact O-N 2.9Å; F648-N652 WeakPolarHBondContact CD1-ND2 3.38Å; F648-N652 WeakPolarHBondContact CE1-ND2 3.2Å; F648-N652 VanDerWaalsContact CE2-ND2 3.34Å; F648-N652 WeakPolarHBondContact CE2-ND2 3.28Å; F648-N652 WeakPolarHBondContact CZ-ND2 3.25Å; F648-N652 VanDerWaalsContact O-CB 3.32Å; F648-N652 WeakPolarHBondContact O-CB 3.48Å; F648-N652 VanDerWaalsContact O-CG 3.29Å; F648-N652 PolarHBondContact O-N 3.26Å; F648-N652 PolarHBondContact O-ND2 3.39Å
649	R	90.7	Very high	82.7	Confident	68 Å²	68	51.9 Å²	51.9	26%	0.257	24%	0.235	S	C	.	.	H	α-helix	trans	-60.8	-47.3	174.9	-171.4	-169.3	72.4	74	12.2	110.8	E361 K645 E646 N652 K653	E361-R649 IonicContact OE1-CZ 3.63Å; E361-R649 IonicContact OE1-NH1 3.44Å; E361-R649 PolarHBondContact OE1-NH1 3.23Å; E361-R649 IonicContact OE1-NH2 3.7Å; E361-R649 IonicContact OE2-CZ 3.56Å; E361-R649 IonicContact OE2-NH1 3.99Å; E361-R649 PolarHBondContact OE2-NH1 3.23Å; E361-R649 IonicContact OE2-NH2 3.5Å; E361-R649 PolarHBondContact OE2-NH2 3.01Å; K645-R649 WeakPolarHBondContact O-CB 3.49Å; K645-R649 PolarHBondContact O-N 2.8Å; E646-R649 VanDerWaalsContact CD-NE 3.29Å; E646-R649 WeakPolarHBondContact O-CB 3.46Å; E646-R649 PolarHBondContact O-N 3.49Å; E646-R649 VanDerWaalsContact O-N 3.14Å; E646-R649 IonicContact OE1-CZ 2.81Å; E646-R649 VanDerWaalsContact OE1-CZ 3.27Å; E646-R649 IonicContact OE1-NE 3.34Å; E646-R649 PolarHBondContact OE1-NE 3.43Å; E646-R649 VanDerWaalsContact OE1-NE 3.11Å; E646-R649 IonicContact OE1-NH2 3.21Å; E646-R649 PolarHBondContact OE1-NH2 2.9Å; E646-R649 WeakPolarHBondContact OE2-CD 3.38Å; E646-R649 IonicContact OE2-CZ 3.7Å; E646-R649 IonicContact OE2-NE 3.97Å; E646-R649 PolarHBondContact OE2-NE 3.42Å; E646-R649 IonicContact OE2-NH2 2.78Å; R649-N652 PolarHBondContact O-N 3.45Å; R649-K653 PolarHBondContact O-N 2.9Å
650	L	89.2	Confident	80.7	Confident	1 Å²	1	56.1 Å²	56.1	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-64.5	-45.6	179.1	-168.8	67.9	0	0	0	111.3	E361 L368 L530 F532 E646 A647 N652 K653 S654	E361-L650 HydrophobicContact CB-CD1 4.23Å; L368-L650 HydrophobicContact CD1-CD2 3.68Å; L530-L650 HydrophobicContact CD1-CD2 3.95Å; L530-L650 HydrophobicContact CD2-CD2 4.44Å; L530-L650 HydrophobicContact CD2-CG 4.35Å; F532-L650 HydrophobicContact CE1-CD1 4.11Å; F532-L650 HydrophobicContact CZ-CD1 4.15Å; F532-L650 HydrophobicContact CZ-CG 4.42Å; E646-L650 PolarHBondContact O-N 3.4Å; A647-L650 PolarHBondContact O-N 3Å; L650-N652 VanDerWaalsContact C-N 3.34Å; L650-N652 PolarHBondContact O-N 3.02Å; L650-K653 PolarHBondContact O-N 2.96Å; L650-S654 PolarHBondContact O-N 2.84Å
651	L	87.8	Confident	78.6	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-61.5	-41.9	177.4	-168	67.1	0	0	0	111.7	L530 L599 M623 A647 F648 K653 S654 I655	L530-L651 HydrophobicContact CD2-CD1 4.21Å; L599-L651 HydrophobicContact CD2-CD2 4.21Å; M623-L651 HydrophobicContact CB-CD2 4.39Å; M623-L651 HydrophobicContact CE-CD2 3.89Å; A647-L651 WeakPolarHBondContact O-CB 3.18Å; A647-L651 PolarHBondContact O-N 3.04Å; F648-L651 PolarHBondContact O-N 2.9Å; L651-K653 VanDerWaalsContact C-N 3.33Å; L651-K653 PolarHBondContact O-N 2.77Å; L651-S654 WeakPolarHBondContact O-CB 3.17Å; L651-S654 PolarHBondContact O-N 2.85Å; L651-S654 VanDerWaalsContact O-N 3.15Å; L651-S654 PolarHBondContact O-OG 3.14Å; L651-I655 WeakPolarHBondContact O-CG1 3.3Å; L651-I655 PolarHBondContact O-N 3.44Å
652	N	84.2	Confident	76.4	Confident	30 Å²	30	60.3 Å²	60.3	16%	0.16	29%	0.289	C	S	.	.	H	α-helix	trans	-63.4	-38.2	175.9	-81.8	-47.7	0	0	0	113.3	L599 R602 F648 R649 L650 S654 I655	L599-N652 WeakPolarHBondContact CD1-OD1 3.34Å; R602-N652 VanDerWaalsContact CZ-OD1 3.24Å; R602-N652 PolarHBondContact NH1-OD1 2.86Å; R602-N652 PolarHBondContact NH2-OD1 3.35Å; F648-N652 WeakPolarHBondContact CD1-ND2 3.38Å; F648-N652 WeakPolarHBondContact CE1-ND2 3.2Å; F648-N652 VanDerWaalsContact CE2-ND2 3.34Å; F648-N652 WeakPolarHBondContact CE2-ND2 3.28Å; F648-N652 WeakPolarHBondContact CZ-ND2 3.25Å; F648-N652 VanDerWaalsContact O-CB 3.32Å; F648-N652 WeakPolarHBondContact O-CB 3.48Å; F648-N652 VanDerWaalsContact O-CG 3.29Å; F648-N652 PolarHBondContact O-N 3.26Å; F648-N652 PolarHBondContact O-ND2 3.39Å; R649-N652 PolarHBondContact O-N 3.45Å; L650-N652 VanDerWaalsContact C-N 3.34Å; L650-N652 PolarHBondContact O-N 3.02Å; N652-S654 VanDerWaalsContact C-N 3.26Å; N652-S654 PolarHBondContact O-N 3.37Å; N652-I655 PolarHBondContact O-N 2.93Å
653	K	82.3	Confident	74.6	Confident	118 Å²	118	53.9 Å²	53.9	51%	0.513	26%	0.261	S	S	.	.	H	α-helix	trans	-68.1	-27.9	175.4	-76.9	-165.7	172.8	-163.3	0	112.4	E361 R649 L650 L651 I655	E361-K653 HydrophobicContact CG-CD 3.9Å; E361-K653 WeakPolarHBondContact OE1-CD 2.97Å; E361-K653 WeakPolarHBondContact OE1-CE 3.26Å; E361-K653 IonicContact OE1-NZ 2.94Å; E361-K653 PolarHBondContact OE1-NZ 3.33Å; R649-K653 PolarHBondContact O-N 2.9Å; L650-K653 PolarHBondContact O-N 2.96Å; L651-K653 VanDerWaalsContact C-N 3.33Å; L651-K653 PolarHBondContact O-N 2.77Å; K653-I655 VanDerWaalsContact C-N 3.32Å
654	S	78.1	Confident	72.5	Confident	13 Å²	13	56 Å²	56	9%	0.091	27%	0.273	C	S	.	.	H	α-helix	trans	-71.5	-26	174.9	79.1	0	0	0	0	113.3	F531 L650 L651 N652 I656	F531-S654 WeakPolarHBondContact O-CA 3.2Å; F531-S654 WeakPolarHBondContact O-CB 3.4Å; L650-S654 PolarHBondContact O-N 2.84Å; L651-S654 WeakPolarHBondContact O-CB 3.17Å; L651-S654 PolarHBondContact O-N 2.85Å; L651-S654 VanDerWaalsContact O-N 3.15Å; L651-S654 PolarHBondContact O-OG 3.14Å; N652-S654 VanDerWaalsContact C-N 3.26Å; N652-S654 PolarHBondContact O-N 3.37Å; S654-I656 PolarHBondContact O-N 3.42Å
655	I	70.7	Confident	70.5	Confident	35 Å²	35	57.3 Å²	57.3	18%	0.179	28%	0.28	C	S	.	.	S	Bend	trans	-86.4	98.7	179.9	-60	165.9	0	0	0	109	L599 I615 L651 N652 K653	L599-I655 HydrophobicContact CD1-CD1 3.94Å; I615-I655 HydrophobicContact CD1-CD1 4.44Å; L651-I655 WeakPolarHBondContact O-CG1 3.3Å; L651-I655 PolarHBondContact O-N 3.44Å; N652-I655 PolarHBondContact O-N 2.93Å; K653-I655 VanDerWaalsContact C-N 3.32Å
656	I	63.6	Low	68.3	Low	57 Å²	57	55 Å²	55	29%	0.292	27%	0.271	S	S	.	.			trans	-77.9	139.5	-178.8	-64	-177.4	0	0	0	111.5	I533 A612 S654	I533-I656 HydrophobicContact CB-CD1 3.42Å; I533-I656 VanDerWaalsContact CB-CD1 3.42Å; I533-I656 HydrophobicContact CD1-CD1 3.4Å; I533-I656 HydrophobicContact CD1-CG1 4.48Å; I533-I656 HydrophobicContact CG1-CD1 3.35Å; I533-I656 HydrophobicContact CG2-CD1 4.32Å; A612-I656 PolarHBondContact N-O 2.9Å; S654-I656 PolarHBondContact O-N 3.42Å
657	R	55.4	Low	66.1	Low	170 Å²	170	59.6 Å²	59.6	64%	0.642	29%	0.292	S	S	*	.	B	Isolated β-bridge	trans	-79.9	130.6	170.4	-66.5	-176.7	179.8	-176.6	-1.4	108.6	E659	R657-E659 PolarHBondContact O-N 3.14Å
658	V	54.9	Low	64	Low	24 Å²	24	63.3 Å²	63.3	15%	0.145	31%	0.309	C	S	.	.			trans	-72.6	114.6	165.6	-177.2	0	0	0	0	105.9	K610 A612 T660	K610-V658 WeakPolarHBondContact O-CB 3.27Å; A612-V658 HydrophobicContact CB-CG2 3.69Å; V658-T660 PolarHBondContact O-N 3.1Å
659	E	49.1	Very low	61.4	Low	114 Å²	114	67.7 Å²	67.7	53%	0.533	33%	0.33	S	S	.	.			trans	-79.5	109.8	168.5	-73.9	177.4	168	0	0	106.3	R510 R657 P661	R510-E659 IonicContact NH1-OE2 3.35Å; R657-E659 PolarHBondContact O-N 3.14Å; E659-P661 WeakPolarHBondContact O-CD 3.29Å
660	T	53.2	Low	59	Low	89 Å²	89	71.7 Å²	71.7	55%	0.546	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-69.5	119.5	164.4	45.7	0	0	0	0	106.7	V658	V658-T660 PolarHBondContact O-N 3.1Å
661	P	49.9	Very low	56.5	Low	86 Å²	86	75.9 Å²	75.9	56%	0.558	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-60.2	145.1	-177.5	24.3	-32.7	0	0	0	110.7	E659	E659-P661 WeakPolarHBondContact O-CD 3.29Å
662	D	47.5	Very low	54	Low	99 Å²	99	80.7 Å²	80.7	53%	0.529	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-62.5	141.4	168.9	-66	-38.6	0	0	0	109.6	N664	D662-N664 PolarHBondContact O-N 3.14Å
663	I	53.8	Low	51.8	Low	16 Å²	16	86.1 Å²	86.1	8%	0.082	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	110.8	-178.1	-65.6	167.2	0	0	0	108	L665 L721 F723 Y726 R785	I663-L665 HydrophobicContact CG2-CD2 4.04Å; I663-L665 HydrophobicContact CG2-CG 4.39Å; I663-L721 PolarHBondContact N-O 2.86Å; I663-L721 PolarHBondContact O-N 3.41Å; I663-F723 HydrophobicContact CD1-CD2 3.74Å; I663-F723 HydrophobicContact CD1-CE2 4.5Å; I663-F723 HydrophobicContact CG1-CD2 4.38Å; I663-Y726 HydrophobicContact CD1-CD1 3.35Å; I663-Y726 HydrophobicContact CD1-CD2 4.03Å; I663-Y726 HydrophobicContact CD1-CE1 3.96Å; I663-Y726 HydrophobicContact CD1-CG 3.38Å; I663-R785 VanDerWaalsContact CG2-CZ 3.47Å
664	N	49.8	Very low	49.6	Very low	59 Å²	59	87.8 Å²	87.8	32%	0.316	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	119.6	167	-73.7	-17.8	0	0	0	108.7	D662 E666 R720	D662-N664 PolarHBondContact O-N 3.14Å; N664-E666 VanDerWaalsContact C-N 3.34Å; N664-R720 WeakPolarHBondContact OD1-CD 3.44Å; N664-R720 VanDerWaalsContact OD1-CG 3.29Å; N664-R720 WeakPolarHBondContact OD1-CG 3.5Å
665	L	53.4	Low	47.5	Very low	26 Å²	26	91.5 Å²	91.5	14%	0.136	46%	0.46	C	S	.	.	S	Bend	trans	-89.1	4.3	-178.8	-67	166.9	0	0	0	113.3	I663 L721 L778 K781 V782	I663-L665 HydrophobicContact CG2-CD2 4.04Å; I663-L665 HydrophobicContact CG2-CG 4.39Å; L665-L721 HydrophobicContact CD1-CB 4.08Å; L665-L778 HydrophobicContact CD1-CG 4.43Å; L665-K781 HydrophobicContact CB-CD 4.47Å; L665-V782 HydrophobicContact CD1-CG2 4.23Å; L665-V782 HydrophobicContact CD2-CG2 4.39Å
666	E	47.1	Very low	45.8	Very low	70 Å²	70	97.8 Å²	97.8	33%	0.327	49%	0.488	S	S	.	.	S	Bend	trans	-122.3	-8.8	-171.3	-73.5	-178	167.5	0	0	115.3	N664 E668 S718 K781	N664-E666 VanDerWaalsContact C-N 3.34Å; E666-E668 PolarHBondContact O-N 3.01Å; E666-E668 VanDerWaalsContact O-N 3.13Å; E666-S718 VanDerWaalsContact OE2-CA 3.24Å; E666-S718 WeakPolarHBondContact OE2-CA 3.46Å; E666-K781 IonicContact OE1-NZ 3.76Å; E666-K781 PolarHBondContact OE1-NZ 2.78Å
667	Q	43.8	Very low	44.5	Very low	139 Å²	139	103.3 Å²	103.3	65%	0.65	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	3.8	-172.4	-146.9	168	21.9	0	0	114.1
668	E	47.7	Very low	43.4	Very low	81 Å²	81	103.8 Å²	103.8	38%	0.379	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.3	-10.1	-169.7	-69.6	176	176.1	0	0	114.2	E666 E670 T671 Y789	E666-E668 PolarHBondContact O-N 3.01Å; E666-E668 VanDerWaalsContact O-N 3.13Å; E668-E670 VanDerWaalsContact C-N 3.3Å; E668-E670 PolarHBondContact O-N 3Å; E668-T671 PolarHBondContact O-N 3.29Å; E668-Y789 VanDerWaalsContact OE2-CZ 3.24Å; E668-Y789 PolarHBondContact OE2-OH 3.12Å
669	E	37.8	Very low	42.3	Very low	127 Å²	127	111 Å²	111	59%	0.593	56%	0.56	S	S	*	*	H	α-helix	trans	-66.3	-30.7	169.7	-77.6	177.7	-176.3	0	0	111.8	T671 E672 E673	E669-T671 VanDerWaalsContact C-N 3.28Å; E669-T671 PolarHBondContact O-N 2.92Å; E669-E672 PolarHBondContact O-N 3.38Å; E669-E673 PolarHBondContact O-N 3.1Å
670	E	38.7	Very low	41.5	Very low	152 Å²	152	108.4 Å²	108.4	71%	0.71	56%	0.564	S	S	*	*	H	α-helix	trans	-68.1	-25.7	177.3	-70.7	-177.4	167.2	0	0	112.9	E668 E674	E668-E670 VanDerWaalsContact C-N 3.3Å; E668-E670 PolarHBondContact O-N 3Å; E670-E674 PolarHBondContact O-N 2.87Å
671	T	37.4	Very low	40.4	Very low	89 Å²	89	112.2 Å²	112.2	55%	0.546	58%	0.581	S	S	.	*	H	α-helix	trans	-82.3	-26.1	-178.5	-20.5	0	0	0	0	112.6	E668 E669 S675	E668-T671 PolarHBondContact O-N 3.29Å; E669-T671 VanDerWaalsContact C-N 3.28Å; E669-T671 PolarHBondContact O-N 2.92Å; T671-S675 PolarHBondContact O-OG 3.28Å
672	E	35.6	Very low	39.3	Very low	100 Å²	100	115.6 Å²	115.6	47%	0.467	60%	0.595	S	S	.	*	H	α-helix	trans	-81.9	-29.9	177.4	-68.6	-171.3	167.6	0	0	112.2	E669 S675	E669-E672 PolarHBondContact O-N 3.38Å; E672-S675 PolarHBondContact O-OG 3.07Å
673	E	37.1	Very low	38.5	Very low	144 Å²	144	118.9 Å²	118.9	67%	0.673	61%	0.611	S	S	*	*	H	α-helix	trans	-74	-33.7	174.1	-70.1	-168	169.5	0	0	113	E669	E669-E673 PolarHBondContact O-N 3.1Å
674	E	36.6	Very low	38	Very low	154 Å²	154	123 Å²	123	72%	0.72	64%	0.638	S	S	*	*	H	α-helix	trans	-72.2	-29.4	176.7	-76.5	-170.5	162.3	0	0	113	E670	E670-E674 PolarHBondContact O-N 2.87Å
675	S	34.4	Very low	37	Very low	90 Å²	90	128.4 Å²	128.4	63%	0.629	67%	0.667	S	S	*	*	H	α-helix	trans	-82.1	-12.1	-177.7	48	0	0	0	0	114.4	T671 E672	T671-S675 PolarHBondContact O-OG 3.28Å; E672-S675 PolarHBondContact O-OG 3.07Å
676	Q	35.7	Very low	35.7	Very low	167 Å²	167	130.8 Å²	130.8	78%	0.78	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.6	-3.3	178.1	-68	-175.4	20	0	0	114.6
677	Q	36.3	Very low	34.9	Very low	173 Å²	173	133.8 Å²	133.8	81%	0.808	72%	0.721	S	S	*	*	S	Bend	trans	-99.4	-5.1	-179.5	-75.4	-173.3	9	0	0	115.7
678	E	32.7	Very low	34.2	Very low	180 Å²	180	134.6 Å²	134.6	84%	0.841	73%	0.73	S	S	*	*	S	Bend	trans	-91.1	-12.2	-177.1	-75.4	-160.4	148.6	0	0	116.1	G680	E678-G680 PolarHBondContact O-N 3.18Å
679	D	31.6	Very low	33.2	Very low	175 Å²	175	134 Å²	134	94%	0.936	75%	0.745	S	S	*	*	S	Bend	trans	-100.7	74.9	178.6	-90.2	-28.4	0	0	0	112.3
680	G	31	Very low	32.7	Very low	60 Å²	60	134.1 Å²	134.1	62%	0.619	75%	0.754	S	S	*	*	S	Bend	trans	-177.2	40.9	-179.5	0	0	0	0	0	119.4	E678	E678-G680 PolarHBondContact O-N 3.18Å
681	N	29.6	Very low	32.2	Very low	170 Å²	170	134.5 Å²	134.5	91%	0.909	76%	0.761	S	S	*	*			trans	-176.4	113.6	142.9	-101.7	-33.6	0	0	0	113.6
682	N	27.2	Very low	31.6	Very low	157 Å²	157	133.5 Å²	133.5	84%	0.84	77%	0.769	S	S	*	*			trans	-117.2	126.6	159.5	-108.9	-37.9	0	0	0	107.8
683	I	31.3	Very low	31.3	Very low	168 Å²	168	138 Å²	138	86%	0.862	79%	0.789	S	S	*	*			trans	-173.7	145.4	133.8	-89.2	151.4	0	0	0	108.9
684	P	43.7	Very low	30.9	Very low	101 Å²	101	135.6 Å²	135.6	66%	0.656	78%	0.784	S	S	*	*			trans	-113.2	158.4	-150.2	37.2	-23.5	0	0	0	114.2
685	N	27.9	Very low	30.3	Very low	173 Å²	173	135.1 Å²	135.1	93%	0.925	79%	0.787	S	S	*	*			trans	170.3	144.4	135.5	-100.4	-26.5	0	0	0	113.6
686	G	27.1	Very low	29.9	Very low	76 Å²	76	134.1 Å²	134.1	78%	0.784	79%	0.791	S	S	*	*			trans	114.3	92.2	132.8	0	0	0	0	0	118.6
687	V	29.9	Very low	29.5	Very low	133 Å²	133	132.4 Å²	132.4	81%	0.806	79%	0.791	S	S	*	*			trans	-43.5	133.2	164.5	-178	0	0	0	0	115.1
688	N	28.7	Very low	29.1	Very low	157 Å²	157	131.9 Å²	131.9	84%	0.84	79%	0.794	S	S	*	*				166.4	131.7	124.6	-92.4	-38.2	0	0	0	114.8
689	G	27.3	Very low	28.9	Very low	69 Å²	69	127.2 Å²	127.2	71%	0.711	79%	0.794	S	S	*	*			trans	99.9	87.3	130.5	0	0	0	0	0	121.8
690	V	27.4	Very low	28.6	Very low	128 Å²	128	128.1 Å²	128.1	78%	0.776	79%	0.793	S	S	*	*				43.9	128.3	119.4	-178.6	0	0	0	0	121.9
691	N	27.5	Very low	28.5	Very low	161 Å²	161	130.8 Å²	130.8	86%	0.861	80%	0.796	S	S	*	*			trans	71.4	138.7	157.5	-65.6	-14.7	0	0	0	118.4
692	G	26.3	Very low	28.4	Very low	68 Å²	68	130.3 Å²	130.3	70%	0.701	79%	0.794	S	S	*	*			cis	152.8	139.4	3.3	0	0	0	0	0	109.7
693	H	27.9	Very low	28.3	Very low	193 Å²	193	126 Å²	126	89%	0.894	79%	0.786	S	S	*	*			trans	59.9	155.6	157.4	-100.2	20.6	0	0	0	117.7
694	V	28.6	Very low	28.1	Very low	95 Å²	95	125.7 Å²	125.7	58%	0.576	79%	0.787	S	S	*	*			cis	-172.9	158.1	-0.4	107.1	0	0	0	0	107.6
695	D	24.9	Very low	27.3	Very low	143 Å²	143	126.7 Å²	126.7	77%	0.765	79%	0.791	S	S	*	*			trans	49.3	118.5	154.3	-58.8	-20.6	0	0	0	122.9
696	G	25.3	Very low	27.4	Very low	70 Å²	70	126.2 Å²	126.2	72%	0.722	79%	0.788	S	S	*	*				72.7	134.5	87.4	0	0	0	0	0	119.8
697	V	28.5	Very low	27.3	Very low	130 Å²	130	125.7 Å²	125.7	79%	0.788	78%	0.783	S	S	*	*			trans	112.5	105.2	144.8	-173.5	0	0	0	0	117.7
698	N	26.8	Very low	27.3	Very low	163 Å²	163	128.9 Å²	128.9	87%	0.872	79%	0.789	S	S	*	*			trans	51.8	133.7	134.8	-63.4	-18.1	0	0	0	123.4
699	G	27.6	Very low	27.3	Very low	82 Å²	82	125.9 Å²	125.9	85%	0.845	79%	0.785	S	S	*	*			trans	177.6	86	152	0	0	0	0	0	113.8
700	H	27	Very low	27.3	Very low	194 Å²	194	130.5 Å²	130.5	90%	0.898	79%	0.794	S	S	*	*			trans	-75.2	155.7	170.4	-99.6	-70.8	0	0	0	112.7
701	V	28.6	Very low	27.5	Very low	115 Å²	115	131.8 Å²	131.8	70%	0.697	80%	0.796	S	S	*	*			trans	130.2	105.1	133.1	-174.8	0	0	0	0	116.3
702	N	27.2	Very low	27.5	Very low	161 Å²	161	127.5 Å²	127.5	86%	0.861	79%	0.789	S	S	*	*			trans	86	120.3	137.3	-64.9	-3.2	0	0	0	124.8
703	G	25.6	Very low	27.8	Very low	65 Å²	65	129.1 Å²	129.1	67%	0.67	80%	0.796	S	S	*	*				142.3	91.4	120.1	0	0	0	0	0	117.7
704	D	25.7	Very low	27.9	Very low	163 Å²	163	128.4 Å²	128.4	87%	0.872	79%	0.793	S	S	*	*			trans	54.5	133.7	131.2	-71	-9.6	0	0	0	120.3
705	V	27.5	Very low	28.2	Very low	122 Å²	122	129.6 Å²	129.6	74%	0.739	80%	0.803	S	S	*	*			cis	-163.7	132.3	22.7	-179.8	0	0	0	0	109.1
706	N	29.3	Very low	28.7	Very low	162 Å²	162	132.1 Å²	132.1	87%	0.866	81%	0.807	S	S	*	*			trans	173.4	116.9	130.8	-98.8	-16.9	0	0	0	110.3
707	G	26.1	Very low	29.4	Very low	66 Å²	66	134.3 Å²	134.3	68%	0.68	81%	0.809	S	S	*	*			trans	-83.2	153.5	-174.1	0	0	0	0	0	114.6
708	H	30.4	Very low	30	Very low	200 Å²	200	131.2 Å²	131.2	93%	0.926	79%	0.793	S	S	*	*				-135.9	125.5	128.3	-98.5	-79	0	0	0	107.4	D710	H708-D710 PolarHBondContact O-N 3Å
709	A	26.9	Very low	31.5	Very low	93 Å²	93	126 Å²	126	77%	0.769	76%	0.764	S	S	*	*			trans	-70.9	120	174.9	0	0	0	0	0	108.6	L711	A709-L711 PolarHBondContact O-N 3.03Å
710	D	28.3	Very low	32.8	Very low	167 Å²	167	130.1 Å²	130.1	89%	0.893	75%	0.754	S	S	*	*			trans	-85.9	107.7	166.3	-143.9	4.6	0	0	0	107.5	H708	H708-D710 PolarHBondContact O-N 3Å
711	L	31.4	Very low	34.7	Very low	155 Å²	155	121.5 Å²	121.5	81%	0.812	72%	0.715	S	S	*	*			trans	-66.2	135.5	174.7	-80.5	147.4	0	0	0	108.4	A709 A713	A709-L711 PolarHBondContact O-N 3.03Å; L711-A713 PolarHBondContact O-N 3.25Å
712	G	28.5	Very low	36.4	Very low	70 Å²	70	117.7 Å²	117.7	72%	0.722	69%	0.693	S	S	*	*			trans	-50.2	128.8	-177.1	0	0	0	0	0	113.2	Q714	G712-Q714 PolarHBondContact O-N 3Å
713	A	31.7	Very low	38.1	Very low	103 Å²	103	114.7 Å²	114.7	85%	0.851	67%	0.673	S	S	*	*			trans	-58.2	109.6	162.8	0	0	0	0	0	108.4	L711	L711-A713 PolarHBondContact O-N 3.25Å
714	Q	29.1	Very low	40	Very low	177 Å²	177	114.7 Å²	114.7	83%	0.827	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-65.9	138.8	164.6	-69	-160.8	-13.2	0	0	108.6	G712 K716	G712-Q714 PolarHBondContact O-N 3Å; Q714-K716 PolarHBondContact O-N 3.41Å
715	P	35.8	Very low	42	Very low	120 Å²	120	110.9 Å²	110.9	78%	0.779	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-63.3	126.9	172.2	26.9	-31.1	0	0	0	108.5
716	K	35.1	Very low	44.2	Very low	196 Å²	196	105.6 Å²	105.6	85%	0.852	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-56	134.9	167.5	-75.5	179.4	177.8	177.2	0	108.3	Q714 S718	Q714-K716 PolarHBondContact O-N 3.41Å; K716-S718 PolarHBondContact O-N 3.13Å
717	P	39.5	Very low	46.3	Very low	117 Å²	117	101.4 Å²	101.4	76%	0.76	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-67.2	116.2	179.1	26.3	-31.9	0	0	0	109.7	L719	P717-L719 PolarHBondContact O-N 3.24Å
718	S	42.8	Very low	48.7	Very low	65 Å²	65	105.8 Å²	105.8	46%	0.455	58%	0.58	S	S	.	*	P	Polyproline II helix	trans	-65.7	120.8	177.2	63.9	0	0	0	0	110.6	E666 K716 R720	E666-S718 VanDerWaalsContact OE2-CA 3.24Å; E666-S718 WeakPolarHBondContact OE2-CA 3.46Å; K716-S718 PolarHBondContact O-N 3.13Å; S718-R720 PolarHBondContact O-N 3.18Å; S718-R720 VanDerWaalsContact O-N 3.12Å
719	L	57.6	Low	51	Low	53 Å²	53	96.8 Å²	96.8	28%	0.277	54%	0.539	S	S	.	.			trans	-75.2	98.3	178.5	-74.8	155	0	0	0	110.4	P717 L778	P717-L719 PolarHBondContact O-N 3.24Å; L719-L778 HydrophobicContact CD2-CD1 4.43Å
720	R	54.3	Low	53.4	Low	169 Å²	169	92.6 Å²	92.6	64%	0.638	50%	0.504	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.5	130.6	174.3	-54.6	-167.8	180	177.5	-3.7	109.8	N664 S718	N664-R720 WeakPolarHBondContact OD1-CD 3.44Å; N664-R720 VanDerWaalsContact OD1-CG 3.29Å; N664-R720 WeakPolarHBondContact OD1-CG 3.5Å; S718-R720 PolarHBondContact O-N 3.18Å; S718-R720 VanDerWaalsContact O-N 3.12Å
721	L	66.6	Low	55.8	Low	12 Å²	12	86.4 Å²	86.4	6%	0.063	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	131.4	177.9	-166.8	78.8	0	0	0	109.8	I663 L665 E725 Y726 I729 L778 V782	I663-L721 PolarHBondContact N-O 2.86Å; I663-L721 PolarHBondContact O-N 3.41Å; L665-L721 HydrophobicContact CD1-CB 4.08Å; L721-E725 HydrophobicContact CD1-CB 3.99Å; L721-E725 HydrophobicContact CG-CB 4.08Å; L721-Y726 HydrophobicContact CD2-CD2 3.96Å; L721-Y726 HydrophobicContact CD2-CG 4.34Å; L721-I729 HydrophobicContact CD1-CD1 4.42Å; L721-I729 HydrophobicContact CD2-CD1 4.21Å; L721-L778 HydrophobicContact CD1-CD1 4.09Å; L721-L778 HydrophobicContact CD1-CD2 4.16Å; L721-V782 HydrophobicContact CD2-CG2 4.13Å
722	S	65.2	Low	58.2	Low	35 Å²	35	81.5 Å²	81.5	25%	0.245	45%	0.445	C	S	.	.			trans	-66.7	145.2	175.3	70.7	0	0	0	0	110.4	A724 E725 Y726	S722-A724 PolarHBondContact O-N 3.38Å; S722-A724 VanDerWaalsContact O-N 3.16Å; S722-E725 WeakPolarHBondContact CB-OE2 3.35Å; S722-E725 PolarHBondContact N-OE2 3.21Å; S722-E725 PolarHBondContact O-N 3.42Å; S722-E725 WeakPolarHBondContact OG-CB 3.48Å; S722-E725 WeakPolarHBondContact OG-CG 3.49Å; S722-E725 PolarHBondContact OG-N 2.81Å; S722-E725 PolarHBondContact OG-OE2 3.17Å; S722-Y726 PolarHBondContact O-N 3.37Å
723	F	62.9	Low	60.7	Low	98 Å²	98	78.2 Å²	78.2	43%	0.43	41%	0.411	S	S	.	.	H	α-helix	trans	-58.2	-31.8	179.4	-178.6	-96.9	0	0	0	112.6	I663 K727	I663-F723 HydrophobicContact CD1-CD2 3.74Å; I663-F723 HydrophobicContact CD1-CE2 4.5Å; I663-F723 HydrophobicContact CG1-CD2 4.38Å; F723-K727 HydrophobicContact CE1-CD 4.29Å; F723-K727 VanDerWaalsContact O-CB 3.31Å; F723-K727 WeakPolarHBondContact O-CB 3.45Å; F723-K727 PolarHBondContact O-N 3.15Å
724	A	66.1	Low	63	Low	65 Å²	65	73.3 Å²	73.3	54%	0.537	37%	0.37	S	S	.	.	H	α-helix	trans	-68.5	-37.9	176.8	0	0	0	0	0	112.4	S722 R728	S722-A724 PolarHBondContact O-N 3.38Å; S722-A724 VanDerWaalsContact O-N 3.16Å; A724-R728 WeakPolarHBondContact O-CB 3.33Å; A724-R728 PolarHBondContact O-N 3.07Å; A724-R728 VanDerWaalsContact O-N 3.1Å
725	E	67.6	Low	65.5	Low	84 Å²	84	69.4 Å²	69.4	39%	0.393	36%	0.355	S	S	.	.	H	α-helix	trans	-71.8	-43.9	173.2	-72.7	162.4	158.7	0	0	110.8	L721 S722 K727 R728 I729	L721-E725 HydrophobicContact CD1-CB 3.99Å; L721-E725 HydrophobicContact CG-CB 4.08Å; S722-E725 WeakPolarHBondContact CB-OE2 3.35Å; S722-E725 PolarHBondContact N-OE2 3.21Å; S722-E725 PolarHBondContact O-N 3.42Å; S722-E725 WeakPolarHBondContact OG-CB 3.48Å; S722-E725 WeakPolarHBondContact OG-CG 3.49Å; S722-E725 PolarHBondContact OG-N 2.81Å; S722-E725 PolarHBondContact OG-OE2 3.17Å; E725-K727 PolarHBondContact O-N 2.83Å; E725-R728 WeakPolarHBondContact O-CB 3.29Å; E725-R728 PolarHBondContact O-N 2.84Å; E725-R728 VanDerWaalsContact O-N 3.15Å; E725-I729 VanDerWaalsContact O-CG1 3.23Å; E725-I729 WeakPolarHBondContact O-CG1 3.31Å; E725-I729 PolarHBondContact O-N 2.89Å
726	Y	73.4	Confident	67.7	Low	10 Å²	10	64.7 Å²	64.7	4%	0.039	32%	0.322	C	S	.	.	H	α-helix	trans	-54.5	-49.1	173.5	-176.9	-106.2	0	0	0	112.1	I663 L721 S722 R728 I729 S730 V782 L786 D790	I663-Y726 HydrophobicContact CD1-CD1 3.35Å; I663-Y726 HydrophobicContact CD1-CD2 4.03Å; I663-Y726 HydrophobicContact CD1-CE1 3.96Å; I663-Y726 HydrophobicContact CD1-CG 3.38Å; L721-Y726 HydrophobicContact CD2-CD2 3.96Å; L721-Y726 HydrophobicContact CD2-CG 4.34Å; S722-Y726 PolarHBondContact O-N 3.37Å; Y726-R728 VanDerWaalsContact C-N 3.33Å; Y726-R728 PolarHBondContact O-N 2.97Å; Y726-I729 PolarHBondContact O-N 2.87Å; Y726-S730 WeakPolarHBondContact O-CB 3.5Å; Y726-S730 PolarHBondContact O-N 3.03Å; Y726-S730 PolarHBondContact O-OG 3.42Å; Y726-V782 HydrophobicContact CD2-CG1 4.14Å; Y726-V782 HydrophobicContact CD2-CG2 4.12Å; Y726-V782 HydrophobicContact CE2-CB 4.44Å; Y726-V782 HydrophobicContact CE2-CG1 3.83Å; Y726-V782 HydrophobicContact CE2-CG2 4.23Å; Y726-L786 WeakPolarHBondContact OH-CD2 3.48Å; Y726-D790 PolarHBondContact OH-OD2 2.65Å
727	K	72.9	Confident	69.8	Low	75 Å²	75	55.4 Å²	55.4	33%	0.326	28%	0.282	S	S	.	.	H	α-helix	trans	-65.5	-35.3	178.8	-169.8	173.7	-178.4	179.4	0	112.2	F723 E725 S730 N731 E824	F723-K727 HydrophobicContact CE1-CD 4.29Å; F723-K727 VanDerWaalsContact O-CB 3.31Å; F723-K727 WeakPolarHBondContact O-CB 3.45Å; F723-K727 PolarHBondContact O-N 3.15Å; E725-K727 PolarHBondContact O-N 2.83Å; K727-S730 WeakPolarHBondContact CA-OG 3.41Å; K727-S730 PolarHBondContact O-OG 2.85Å; K727-N731 VanDerWaalsContact O-CB 3.29Å; K727-N731 WeakPolarHBondContact O-CB 3.48Å; K727-N731 PolarHBondContact O-N 2.91Å; K727-N731 PolarHBondContact O-OD1 2.95Å; K727-E824 IonicContact NZ-OE2 2.65Å
728	R	77	Confident	71.7	Confident	158 Å²	158	53.5 Å²	53.5	60%	0.596	26%	0.26	S	S	*	.	H	α-helix	trans	-65.1	-46.7	175.2	-169.5	-170	-54	157.6	7.6	110.9	A724 E725 Y726 N731 L732	A724-R728 WeakPolarHBondContact O-CB 3.33Å; A724-R728 PolarHBondContact O-N 3.07Å; A724-R728 VanDerWaalsContact O-N 3.1Å; E725-R728 WeakPolarHBondContact O-CB 3.29Å; E725-R728 PolarHBondContact O-N 2.84Å; E725-R728 VanDerWaalsContact O-N 3.15Å; Y726-R728 VanDerWaalsContact C-N 3.33Å; Y726-R728 PolarHBondContact O-N 2.97Å; R728-N731 PolarHBondContact O-N 3.32Å; R728-L732 HydrophobicContact CG-CD1 4.45Å; R728-L732 WeakPolarHBondContact O-CG 3.34Å; R728-L732 PolarHBondContact O-N 3.32Å
729	I	79.2	Confident	73.5	Confident	11 Å²	11	59.7 Å²	59.7	6%	0.056	27%	0.273	C	S	.	.	H	α-helix	trans	-64.2	-45.6	178.4	-63.7	175.6	0	0	0	110.2	L721 E725 Y726 N731 L732 L733 Y758 L778 V782	L721-I729 HydrophobicContact CD1-CD1 4.42Å; L721-I729 HydrophobicContact CD2-CD1 4.21Å; E725-I729 VanDerWaalsContact O-CG1 3.23Å; E725-I729 WeakPolarHBondContact O-CG1 3.31Å; E725-I729 PolarHBondContact O-N 2.89Å; Y726-I729 PolarHBondContact O-N 2.87Å; I729-N731 VanDerWaalsContact C-N 3.33Å; I729-N731 PolarHBondContact O-N 3.29Å; I729-L732 PolarHBondContact O-N 2.91Å; I729-L733 HydrophobicContact CG2-CD1 3.88Å; I729-L733 HydrophobicContact CG2-CG 4.37Å; I729-L733 VanDerWaalsContact O-CG 3.3Å; I729-L733 WeakPolarHBondContact O-CG 3.29Å; I729-L733 PolarHBondContact O-N 3.16Å; I729-Y758 HydrophobicContact CB-CE2 4.46Å; I729-Y758 WeakPolarHBondContact CD1-OH 3.4Å; I729-Y758 HydrophobicContact CG1-CE2 4.23Å; I729-Y758 VanDerWaalsContact CG1-OH 3.27Å; I729-Y758 WeakPolarHBondContact CG1-OH 3.3Å; I729-Y758 HydrophobicContact CG2-CE2 3.88Å; I729-L778 HydrophobicContact CD1-CD2 4.16Å; I729-V782 HydrophobicContact CG2-CG1 4.04Å
730	S	75.6	Confident	74.5	Confident	5 Å²	5	57.3 Å²	57.3	4%	0.035	26%	0.261	C	S	.	.	H	α-helix	trans	-60.8	-42.3	177.6	69.6	0	0	0	0	111.9	Y726 K727 L733 V734	Y726-S730 WeakPolarHBondContact O-CB 3.5Å; Y726-S730 PolarHBondContact O-N 3.03Å; Y726-S730 PolarHBondContact O-OG 3.42Å; K727-S730 WeakPolarHBondContact CA-OG 3.41Å; K727-S730 PolarHBondContact O-OG 2.85Å; S730-L733 PolarHBondContact O-N 3.36Å; S730-V734 WeakPolarHBondContact O-CB 3.44Å; S730-V734 VanDerWaalsContact O-CG2 3.25Å; S730-V734 WeakPolarHBondContact O-CG2 3.27Å; S730-V734 PolarHBondContact O-N 3.06Å
731	N	79.6	Confident	75.6	Confident	36 Å²	36	53.8 Å²	53.8	19%	0.193	25%	0.252	C	S	.	.	H	α-helix	trans	-65.9	-41.3	179	-75	0.8	0	0	0	112.1	K727 R728 I729 V734 L735	K727-N731 VanDerWaalsContact O-CB 3.29Å; K727-N731 WeakPolarHBondContact O-CB 3.48Å; K727-N731 PolarHBondContact O-N 2.91Å; K727-N731 PolarHBondContact O-OD1 2.95Å; R728-N731 PolarHBondContact O-N 3.32Å; I729-N731 VanDerWaalsContact C-N 3.33Å; I729-N731 PolarHBondContact O-N 3.29Å; N731-V734 PolarHBondContact O-N 3.43Å; N731-L735 WeakPolarHBondContact O-CB 3.28Å; N731-L735 WeakPolarHBondContact O-CG 3.5Å; N731-L735 PolarHBondContact O-N 3.23Å
732	L	80.9	Confident	76.1	Confident	53 Å²	53	60.1 Å²	60.1	28%	0.277	29%	0.286	S	S	.	.	H	α-helix	trans	-62.6	-45.9	175.5	-75.9	169.2	0	0	0	111.6	R728 I729 L735 H736	R728-L732 HydrophobicContact CG-CD1 4.45Å; R728-L732 WeakPolarHBondContact O-CG 3.34Å; R728-L732 PolarHBondContact O-N 3.32Å; I729-L732 PolarHBondContact O-N 2.91Å; L732-L735 PolarHBondContact O-N 2.8Å; L732-H736 WeakPolarHBondContact O-CB 3.43Å; L732-H736 PolarHBondContact O-N 2.83Å
733	L	80.9	Confident	76.8	Confident	0 Å²	0	61 Å²	61	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-62.4	-43.9	177.7	-69.6	172.4	0	0	0	112	I729 S730 H736 L737 V754 W757 Y758 V782 I783 L786	I729-L733 HydrophobicContact CG2-CD1 3.88Å; I729-L733 HydrophobicContact CG2-CG 4.37Å; I729-L733 VanDerWaalsContact O-CG 3.3Å; I729-L733 WeakPolarHBondContact O-CG 3.29Å; I729-L733 PolarHBondContact O-N 3.16Å; S730-L733 PolarHBondContact O-N 3.36Å; L733-H736 PolarHBondContact O-N 2.92Å; L733-L737 WeakPolarHBondContact O-CB 3.3Å; L733-L737 VanDerWaalsContact O-CG 3.32Å; L733-L737 WeakPolarHBondContact O-CG 3.49Å; L733-L737 PolarHBondContact O-N 2.98Å; L733-V754 HydrophobicContact CD2-CG1 3.6Å; L733-W757 HydrophobicContact CD2-CZ3 4.5Å; L733-Y758 HydrophobicContact CD2-CD2 4.33Å; L733-V782 HydrophobicContact CD1-CG1 4.43Å; L733-I783 HydrophobicContact CD1-CG1 4.17Å; L733-L786 HydrophobicContact CD1-CD1 4.07Å
734	V	80.8	Confident	77.2	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-65.8	-40.3	178	169.8	0	0	0	0	111.8	S730 N731 R738 I792 V817 Y821 L823	S730-V734 WeakPolarHBondContact O-CB 3.44Å; S730-V734 VanDerWaalsContact O-CG2 3.25Å; S730-V734 WeakPolarHBondContact O-CG2 3.27Å; S730-V734 PolarHBondContact O-N 3.06Å; N731-V734 PolarHBondContact O-N 3.43Å; V734-R738 WeakPolarHBondContact O-CB 3.26Å; V734-R738 WeakPolarHBondContact O-CG 3.23Å; V734-R738 PolarHBondContact O-N 2.89Å; V734-I792 HydrophobicContact CG2-CG2 3.8Å; V734-V817 HydrophobicContact CG1-CG1 4Å; V734-V817 HydrophobicContact CG1-CG2 4.28Å; V734-Y821 HydrophobicContact CG1-CD1 4.11Å; V734-Y821 HydrophobicContact CG1-CE1 4.09Å; V734-Y821 HydrophobicContact CG2-CD1 4.46Å; V734-Y821 HydrophobicContact CG2-CE1 4.1Å; V734-L823 HydrophobicContact CB-CD2 4.47Å; V734-L823 HydrophobicContact CG1-CD2 4Å; V734-L823 HydrophobicContact CG1-CG 4.34Å
735	L	82.1	Confident	77.6	Confident	96 Å²	96	66 Å²	66	50%	0.503	31%	0.308	S	S	.	.	H	α-helix	trans	-63.9	-42	175.8	-81.8	164.7	0	0	0	111.8	N731 L732 R739 L823	N731-L735 WeakPolarHBondContact O-CB 3.28Å; N731-L735 WeakPolarHBondContact O-CG 3.5Å; N731-L735 PolarHBondContact O-N 3.23Å; L732-L735 PolarHBondContact O-N 2.8Å; L735-R739 WeakPolarHBondContact O-CB 3.35Å; L735-R739 PolarHBondContact O-N 2.73Å; L735-R739 VanDerWaalsContact O-N 3.1Å; L735-L823 HydrophobicContact CD2-CD1 3.8Å; L735-L823 HydrophobicContact CG-CD1 4.16Å
736	H	80.9	Confident	77.6	Confident	20 Å²	20	69.5 Å²	69.5	9%	0.093	33%	0.325	C	S	.	.	H	α-helix	trans	-64.2	-48.7	176.4	-176.4	-96.6	0	0	0	111.8	L732 L733 R738 R739 A740 W757	L732-H736 WeakPolarHBondContact O-CB 3.43Å; L732-H736 PolarHBondContact O-N 2.83Å; L733-H736 PolarHBondContact O-N 2.92Å; H736-R738 PolarHBondContact O-N 2.87Å; H736-R739 WeakPolarHBondContact O-CB 3.26Å; H736-R739 PolarHBondContact O-N 3.49Å; H736-R739 VanDerWaalsContact O-N 3.12Å; H736-A740 WeakPolarHBondContact O-CB 3.34Å; H736-A740 PolarHBondContact O-N 3.4Å; H736-W757 HydrophobicContact CB-CD2 4.31Å; H736-W757 HydrophobicContact CB-CE3 3.99Å; H736-W757 HydrophobicContact CB-CH2 3.61Å; H736-W757 HydrophobicContact CB-CZ2 3.92Å; H736-W757 HydrophobicContact CB-CZ3 3.64Å; H736-W757 AromaticContact CD2-CD1 3.64Å; H736-W757 AromaticContact CD2-CD2 3.31Å; H736-W757 AromaticContact CD2-CE2 3.03Å; H736-W757 AromaticContact CD2-CE3 3.89Å; H736-W757 AromaticContact CD2-CG 3.73Å; H736-W757 AromaticContact CD2-CH2 4Å; H736-W757 AromaticContact CD2-CZ2 3.42Å; H736-W757 VanDerWaalsContact CD2-CZ2 3.42Å; H736-W757 WeakPolarHBondContact CD2-CZ2 3.34Å; H736-W757 AromaticContact CD2-NE1 3.24Å; H736-W757 PolarHBondContact CD2-NE1 3.49Å; H736-W757 AromaticContact CE1-CD2 3.91Å; H736-W757 AromaticContact CE1-CG 3.74Å; H736-W757 AromaticContact CG-CD2 3.58Å; H736-W757 AromaticContact CG-CE2 3.66Å; H736-W757 AromaticContact CG-CE3 3.66Å; H736-W757 AromaticContact CG-CH2 3.93Å; H736-W757 AromaticContact CG-CZ2 3.84Å; H736-W757 AromaticContact CG-CZ3 3.83Å; H736-W757 AromaticContact ND1-CD2 3.95Å; H736-W757 AromaticContact NE2-CD1 3.23Å; H736-W757 AromaticContact NE2-CD2 3.53Å; H736-W757 AromaticContact NE2-CE2 3.55Å; H736-W757 AromaticContact NE2-CG 3.38Å; H736-W757 AromaticContact NE2-NE1 3.34Å; H736-W757 PolarHBondContact NE2-NE1 3.28Å
737	L	79.5	Confident	77.3	Confident	1 Å²	1	75.8 Å²	75.8	1%	0.005	35%	0.354	C	S	.	.	H	α-helix	trans	-62.7	-40.1	-180	-74.1	169.9	0	0	0	112.6	L733 R739 A740 E741 L749 V754 L793 L815 V817	L733-L737 WeakPolarHBondContact O-CB 3.3Å; L733-L737 VanDerWaalsContact O-CG 3.32Å; L733-L737 WeakPolarHBondContact O-CG 3.49Å; L733-L737 PolarHBondContact O-N 2.98Å; L737-R739 VanDerWaalsContact C-N 3.33Å; L737-R739 PolarHBondContact O-N 3.1Å; L737-A740 PolarHBondContact O-N 3.07Å; L737-E741 VanDerWaalsContact O-CB 3.31Å; L737-E741 WeakPolarHBondContact O-CB 3.43Å; L737-E741 PolarHBondContact O-N 2.82Å; L737-L749 HydrophobicContact CD2-CD2 3.84Å; L737-V754 HydrophobicContact CD2-CG2 3.71Å; L737-L793 HydrophobicContact CD1-CD1 4.1Å; L737-L793 HydrophobicContact CD1-CD2 3.4Å; L737-L793 VanDerWaalsContact CD1-CD2 3.4Å; L737-L793 HydrophobicContact CD1-CG 4.4Å; L737-L815 HydrophobicContact CD1-CB 4.41Å; L737-L815 HydrophobicContact CD2-CB 4.27Å; L737-V817 HydrophobicContact CB-CG2 3.6Å; L737-V817 HydrophobicContact CD1-CG2 4.19Å
738	R	79	Confident	77.2	Confident	78 Å²	78	76 Å²	76	29%	0.294	36%	0.357	S	S	.	.	H	α-helix	trans	-62.6	-40.2	172.7	-80	-175.5	174.6	-178.5	-1.3	112.7	V734 H736 E741 D742 V817 Y821	V734-R738 WeakPolarHBondContact O-CB 3.26Å; V734-R738 WeakPolarHBondContact O-CG 3.23Å; V734-R738 PolarHBondContact O-N 2.89Å; H736-R738 PolarHBondContact O-N 2.87Å; R738-E741 PolarHBondContact O-N 2.82Å; R738-D742 WeakPolarHBondContact O-CB 3.23Å; R738-D742 PolarHBondContact O-N 2.87Å; R738-V817 HydrophobicContact CG-CG2 4.34Å; R738-Y821 PolarHBondContact NH2-O 3.37Å
739	R	80.9	Confident	77	Confident	194 Å²	194	69.2 Å²	69.2	73%	0.732	33%	0.332	S	S	*	.	H	α-helix	trans	-67.2	-40.8	178.5	-166.3	-176.2	-149.8	165.1	6.4	111.8	L735 H736 L737 D742 A743	L735-R739 WeakPolarHBondContact O-CB 3.35Å; L735-R739 PolarHBondContact O-N 2.73Å; L735-R739 VanDerWaalsContact O-N 3.1Å; H736-R739 WeakPolarHBondContact O-CB 3.26Å; H736-R739 PolarHBondContact O-N 3.49Å; H736-R739 VanDerWaalsContact O-N 3.12Å; L737-R739 VanDerWaalsContact C-N 3.33Å; L737-R739 PolarHBondContact O-N 3.1Å; R739-D742 PolarHBondContact O-N 2.88Å; R739-A743 WeakPolarHBondContact O-CB 3.39Å; R739-A743 PolarHBondContact O-N 2.89Å; R739-A743 VanDerWaalsContact O-N 3.08Å
740	A	79.3	Confident	77	Confident	3 Å²	3	72 Å²	72	3%	0.025	34%	0.344	C	S	.	.	H	α-helix	trans	-67.5	-36.7	175.9	0	0	0	0	0	111.7	H736 L737 A743 E744 E745 E748 L749	H736-A740 WeakPolarHBondContact O-CB 3.34Å; H736-A740 PolarHBondContact O-N 3.4Å; L737-A740 PolarHBondContact O-N 3.07Å; A740-A743 PolarHBondContact O-N 3.03Å; A740-E744 PolarHBondContact O-N 2.96Å; A740-E745 PolarHBondContact O-N 2.95Å; A740-E748 HydrophobicContact CB-CB 4.1Å; A740-L749 HydrophobicContact CB-CD2 3.99Å; A740-L749 HydrophobicContact CB-CG 4.38Å
741	E	76.8	Confident	77.1	Confident	96 Å²	96	74.8 Å²	74.8	45%	0.449	36%	0.355	S	S	.	.	H	α-helix	trans	-65.4	-46.2	173	-171	176.8	-167.8	0	0	111.7	L737 R738 A743 E744	L737-E741 VanDerWaalsContact O-CB 3.31Å; L737-E741 WeakPolarHBondContact O-CB 3.43Å; L737-E741 PolarHBondContact O-N 2.82Å; R738-E741 PolarHBondContact O-N 2.82Å; E741-A743 PolarHBondContact O-N 2.78Å; E741-E744 PolarHBondContact O-N 2.79Å; E741-E744 VanDerWaalsContact O-N 3.14Å
742	D	77.5	Confident	77.1	Confident	145 Å²	145	76.6 Å²	76.6	78%	0.775	37%	0.368	S	S	*	.	H	α-helix	trans	-63.3	-27	175.8	-76.8	-22.4	0	0	0	112.9	R738 R739	R738-D742 WeakPolarHBondContact O-CB 3.23Å; R738-D742 PolarHBondContact O-N 2.87Å; R739-D742 PolarHBondContact O-N 2.88Å
743	A	79	Confident	77.1	Confident	52 Å²	52	75.5 Å²	75.5	43%	0.43	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-4.1	178.3	0	0	0	0	0	113.8	R739 A740 E741 E745	R739-A743 WeakPolarHBondContact O-CB 3.39Å; R739-A743 PolarHBondContact O-N 2.89Å; R739-A743 VanDerWaalsContact O-N 3.08Å; A740-A743 PolarHBondContact O-N 3.03Å; E741-A743 PolarHBondContact O-N 2.78Å; A743-E745 HydrophobicContact CB-CG 3.95Å; A743-E745 PolarHBondContact O-N 3.27Å
744	E	71.8	Confident	77.1	Confident	177 Å²	177	75.5 Å²	75.5	83%	0.827	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	30.6	-173.9	-61.8	-176.4	167.4	0	0	113.6	A740 E741 E746	A740-E744 PolarHBondContact O-N 2.96Å; E741-E744 PolarHBondContact O-N 2.79Å; E741-E744 VanDerWaalsContact O-N 3.14Å; E744-E746 PolarHBondContact O-N 2.63Å
745	E	75.6	Confident	77.2	Confident	91 Å²	91	75.7 Å²	75.7	43%	0.425	37%	0.368	S	S	.	.			trans	-92.5	81	-178	-65.3	-169.9	-164.5	0	0	111.7	A740 A743 E747 E748	A740-E745 PolarHBondContact O-N 2.95Å; A743-E745 HydrophobicContact CB-CG 3.95Å; A743-E745 PolarHBondContact O-N 3.27Å; E745-E747 PolarHBondContact O-N 3.28Å; E745-E747 VanDerWaalsContact O-N 3.1Å; E745-E748 HydrophobicContact CB-CB 4.28Å; E745-E748 HydrophobicContact CB-CG 4.11Å; E745-E748 PolarHBondContact O-N 2.88Å
746	E	66.1	Low	77.2	Confident	158 Å²	158	75.8 Å²	75.8	74%	0.738	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-25.1	-178.1	-70.8	-173	170.4	0	0	114.5	E744	E744-E746 PolarHBondContact O-N 2.63Å
747	E	68.3	Low	77.4	Confident	142 Å²	142	78.1 Å²	78.1	66%	0.664	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-27.9	177.3	-67.8	-121.8	116.8	0	0	113	E745 L749 K750 A753	E745-E747 PolarHBondContact O-N 3.28Å; E745-E747 VanDerWaalsContact O-N 3.1Å; E747-L749 VanDerWaalsContact C-N 3.34Å; E747-K750 IonicContact OE1-NZ 3.42Å; E747-K750 PolarHBondContact OE1-NZ 2.92Å; E747-A753 WeakPolarHBondContact O-CB 3.42Å
748	E	69.9	Low	77.5	Confident	80 Å²	80	78.6 Å²	78.6	37%	0.374	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-11.6	-179.7	-63.5	-158.6	148.9	0	0	113	A740 E745 V754	A740-E748 HydrophobicContact CB-CB 4.1Å; E745-E748 HydrophobicContact CB-CB 4.28Å; E745-E748 HydrophobicContact CB-CG 4.11Å; E745-E748 PolarHBondContact O-N 2.88Å; E748-V754 WeakPolarHBondContact O-CG2 3.17Å
749	L	72.9	Confident	77.7	Confident	16 Å²	16	75.9 Å²	75.9	8%	0.084	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-5.6	178.2	-65.9	168.6	0	0	0	113.6	L737 A740 E747 V814 L815	L737-L749 HydrophobicContact CD2-CD2 3.84Å; A740-L749 HydrophobicContact CB-CD2 3.99Å; A740-L749 HydrophobicContact CB-CG 4.38Å; E747-L749 VanDerWaalsContact C-N 3.34Å; L749-V814 HydrophobicContact CB-CG1 3.66Å; L749-V814 HydrophobicContact CD1-CG1 4.32Å; L749-L815 PolarHBondContact O-N 2.93Å
750	K	80.4	Confident	77.8	Confident	69 Å²	69	74 Å²	74	30%	0.3	37%	0.367	S	S	.	.	B	Isolated β-bridge	trans	-70.3	141.6	178.2	-66.8	174.9	-175.6	163.1	0	111.1	E747 T752 A753 V754	E747-K750 IonicContact OE1-NZ 3.42Å; E747-K750 PolarHBondContact OE1-NZ 2.92Å; K750-T752 VanDerWaalsContact C-N 3.29Å; K750-T752 PolarHBondContact O-N 3.02Å; K750-A753 HydrophobicContact CB-CB 4.15Å; K750-A753 WeakPolarHBondContact O-CB 3.07Å; K750-A753 PolarHBondContact O-N 3.37Å; K750-V754 WeakPolarHBondContact O-CG2 3.48Å; K750-V754 PolarHBondContact O-N 2.89Å
751	K	76.3	Confident	77.9	Confident	64 Å²	64	78.4 Å²	78.4	28%	0.278	39%	0.387	S	S	.	.	H	α-helix	trans	-52.2	-44.8	179.2	-176.6	179.1	-179.9	179.6	0	112.5	A753 V754 V755 I783 D812 G813 L815	K751-A753 PolarHBondContact O-N 2.95Å; K751-V754 PolarHBondContact O-N 3.43Å; K751-V755 WeakPolarHBondContact O-CG2 3.35Å; K751-V755 PolarHBondContact O-N 2.64Å; K751-V755 VanDerWaalsContact O-N 3.15Å; K751-I783 HydrophobicContact CG-CG2 4.45Å; K751-D812 WeakPolarHBondContact CB-OD1 3.36Å; K751-G813 PolarHBondContact N-O 3.17Å; K751-L815 HydrophobicContact CB-CD1 4.08Å; K751-L815 HydrophobicContact CB-CG 4.45Å; K751-L815 HydrophobicContact CG-CD1 4.27Å
752	T	79.7	Confident	77.9	Confident	74 Å²	74	74.8 Å²	74.8	45%	0.454	37%	0.37	S	S	.	.	H	α-helix	trans	-65.5	-36.2	176.4	58.4	0	0	0	0	113.8	K750 N756 D812	K750-T752 VanDerWaalsContact C-N 3.29Å; K750-T752 PolarHBondContact O-N 3.02Å; T752-N756 WeakPolarHBondContact O-CB 3.43Å; T752-N756 PolarHBondContact O-N 3.07Å; T752-N756 PolarHBondContact O-ND2 3.07Å; T752-N756 VanDerWaalsContact O-ND2 3.11Å; T752-D812 WeakPolarHBondContact CB-OD2 3.34Å; T752-D812 VanDerWaalsContact CG2-OD2 3.24Å; T752-D812 WeakPolarHBondContact CG2-OD2 3.41Å; T752-D812 PolarHBondContact N-OD1 2.9Å; T752-D812 PolarHBondContact OG1-OD2 3.17Å
753	A	80.9	Confident	77.9	Confident	29 Å²	29	74.5 Å²	74.5	24%	0.24	36%	0.364	C	S	.	.	H	α-helix	trans	-68.1	-41.4	178.5	0	0	0	0	0	111.4	E747 K750 K751 N756 W757	E747-A753 WeakPolarHBondContact O-CB 3.42Å; K750-A753 HydrophobicContact CB-CB 4.15Å; K750-A753 WeakPolarHBondContact O-CB 3.07Å; K750-A753 PolarHBondContact O-N 3.37Å; K751-A753 PolarHBondContact O-N 2.95Å; A753-N756 PolarHBondContact O-N 3.41Å; A753-W757 WeakPolarHBondContact O-CB 3.02Å; A753-W757 PolarHBondContact O-N 3.27Å
754	V	81.3	Confident	77.8	Confident	1 Å²	1	77.2 Å²	77.2	1%	0.006	38%	0.38	C	S	.	.	H	α-helix	trans	-64.5	-42.4	177.3	176.8	0	0	0	0	111.6	L733 L737 E748 K750 K751 W757 Y758 I783	L733-V754 HydrophobicContact CD2-CG1 3.6Å; L737-V754 HydrophobicContact CD2-CG2 3.71Å; E748-V754 WeakPolarHBondContact O-CG2 3.17Å; K750-V754 WeakPolarHBondContact O-CG2 3.48Å; K750-V754 PolarHBondContact O-N 2.89Å; K751-V754 PolarHBondContact O-N 3.43Å; V754-W757 PolarHBondContact O-N 2.78Å; V754-Y758 PolarHBondContact O-N 2.99Å; V754-Y758 VanDerWaalsContact O-N 3.08Å; V754-I783 HydrophobicContact CG1-CD1 4.32Å
755	V	82.5	Confident	77.8	Confident	4 Å²	4	74.3 Å²	74.3	2%	0.024	37%	0.367	C	S	.	.	H	α-helix	trans	-62.4	-45.8	174.9	173.3	0	0	0	0	110.7	K751 W757 Y758 L759 K776 I779 E780 I783	K751-V755 WeakPolarHBondContact O-CG2 3.35Å; K751-V755 PolarHBondContact O-N 2.64Å; K751-V755 VanDerWaalsContact O-N 3.15Å; V755-W757 PolarHBondContact O-N 2.75Å; V755-Y758 PolarHBondContact O-N 3.17Å; V755-L759 HydrophobicContact CG1-CD1 4.06Å; V755-L759 VanDerWaalsContact O-CG 3.32Å; V755-L759 WeakPolarHBondContact O-CG 3.3Å; V755-L759 PolarHBondContact O-N 3.17Å; V755-K776 HydrophobicContact CG1-CG 4.04Å; V755-I779 HydrophobicContact CG2-CG2 4.13Å; V755-E780 HydrophobicContact CG2-CG 4.16Å; V755-I783 HydrophobicContact CG2-CD1 3.69Å
756	N	82.6	Confident	77.8	Confident	97 Å²	97	71.4 Å²	71.4	52%	0.519	35%	0.354	S	S	.	.	H	α-helix	trans	-65	-37.5	178.7	-72.1	-26.9	0	0	0	112.6	T752 A753 K760	T752-N756 WeakPolarHBondContact O-CB 3.43Å; T752-N756 PolarHBondContact O-N 3.07Å; T752-N756 PolarHBondContact O-ND2 3.07Å; T752-N756 VanDerWaalsContact O-ND2 3.11Å; A753-N756 PolarHBondContact O-N 3.41Å; N756-K760 WeakPolarHBondContact O-CB 3.13Å; N756-K760 PolarHBondContact O-N 3.43Å; N756-K760 VanDerWaalsContact O-N 3.08Å
757	W	85.4	Confident	78.2	Confident	70 Å²	70	71.4 Å²	71.4	27%	0.265	36%	0.359	S	S	.	.	H	α-helix	trans	-61.3	-49.2	174.9	170.1	83.1	0	0	0	111.4	L733 H736 A753 V754 V755 L759 K760 E761	L733-W757 HydrophobicContact CD2-CZ3 4.5Å; H736-W757 HydrophobicContact CB-CD2 4.31Å; H736-W757 HydrophobicContact CB-CE3 3.99Å; H736-W757 HydrophobicContact CB-CH2 3.61Å; H736-W757 HydrophobicContact CB-CZ2 3.92Å; H736-W757 HydrophobicContact CB-CZ3 3.64Å; H736-W757 AromaticContact CD2-CD1 3.64Å; H736-W757 AromaticContact CD2-CD2 3.31Å; H736-W757 AromaticContact CD2-CE2 3.03Å; H736-W757 AromaticContact CD2-CE3 3.89Å; H736-W757 AromaticContact CD2-CG 3.73Å; H736-W757 AromaticContact CD2-CH2 4Å; H736-W757 AromaticContact CD2-CZ2 3.42Å; H736-W757 VanDerWaalsContact CD2-CZ2 3.42Å; H736-W757 WeakPolarHBondContact CD2-CZ2 3.34Å; H736-W757 AromaticContact CD2-NE1 3.24Å; H736-W757 PolarHBondContact CD2-NE1 3.49Å; H736-W757 AromaticContact CE1-CD2 3.91Å; H736-W757 AromaticContact CE1-CG 3.74Å; H736-W757 AromaticContact CG-CD2 3.58Å; H736-W757 AromaticContact CG-CE2 3.66Å; H736-W757 AromaticContact CG-CE3 3.66Å; H736-W757 AromaticContact CG-CH2 3.93Å; H736-W757 AromaticContact CG-CZ2 3.84Å; H736-W757 AromaticContact CG-CZ3 3.83Å; H736-W757 AromaticContact ND1-CD2 3.95Å; H736-W757 AromaticContact NE2-CD1 3.23Å; H736-W757 AromaticContact NE2-CD2 3.53Å; H736-W757 AromaticContact NE2-CE2 3.55Å; H736-W757 AromaticContact NE2-CG 3.38Å; H736-W757 AromaticContact NE2-NE1 3.34Å; H736-W757 PolarHBondContact NE2-NE1 3.28Å; A753-W757 WeakPolarHBondContact O-CB 3.02Å; A753-W757 PolarHBondContact O-N 3.27Å; V754-W757 PolarHBondContact O-N 2.78Å; V755-W757 PolarHBondContact O-N 2.75Å; W757-L759 VanDerWaalsContact C-N 3.33Å; W757-L759 PolarHBondContact O-N 2.75Å; W757-K760 WeakPolarHBondContact O-CB 3.44Å; W757-K760 PolarHBondContact O-N 3.26Å; W757-K760 VanDerWaalsContact O-N 3.08Å; W757-E761 WeakPolarHBondContact CH2-OE2 3.13Å; W757-E761 VanDerWaalsContact CZ2-OE2 3.28Å; W757-E761 WeakPolarHBondContact CZ2-OE2 3.27Å; W757-E761 PolarHBondContact O-N 2.89Å
758	Y	81.9	Confident	79.1	Confident	10 Å²	10	67.2 Å²	67.2	4%	0.039	35%	0.345	C	S	.	.	H	α-helix	trans	-63.4	-40.1	-179.7	179.9	-83.4	0	0	0	111.7	I729 L733 V754 V755 K760 E761 I762 I779	I729-Y758 HydrophobicContact CB-CE2 4.46Å; I729-Y758 WeakPolarHBondContact CD1-OH 3.4Å; I729-Y758 HydrophobicContact CG1-CE2 4.23Å; I729-Y758 VanDerWaalsContact CG1-OH 3.27Å; I729-Y758 WeakPolarHBondContact CG1-OH 3.3Å; I729-Y758 HydrophobicContact CG2-CE2 3.88Å; L733-Y758 HydrophobicContact CD2-CD2 4.33Å; V754-Y758 PolarHBondContact O-N 2.99Å; V754-Y758 VanDerWaalsContact O-N 3.08Å; V755-Y758 PolarHBondContact O-N 3.17Å; Y758-K760 VanDerWaalsContact C-N 3.25Å; Y758-K760 PolarHBondContact O-N 2.85Å; Y758-E761 PolarHBondContact O-N 3.27Å; Y758-I762 HydrophobicContact CD1-CD1 3.9Å; Y758-I762 HydrophobicContact CD2-CD1 4.34Å; Y758-I762 HydrophobicContact CE1-CD1 3.26Å; Y758-I762 HydrophobicContact CE1-CG1 4.45Å; Y758-I762 HydrophobicContact CE2-CD1 3.7Å; Y758-I762 HydrophobicContact CG-CD1 4.45Å; Y758-I762 PolarHBondContact O-N 2.92Å; Y758-I762 WeakPolarHBondContact OH-CD1 3.5Å; Y758-I779 HydrophobicContact CD1-CD1 3.03Å; Y758-I779 HydrophobicContact CD1-CG1 3.46Å; Y758-I779 VanDerWaalsContact CD1-CG1 3.46Å; Y758-I779 HydrophobicContact CE1-CD1 3.31Å; Y758-I779 HydrophobicContact CE1-CG1 3.37Å; Y758-I779 HydrophobicContact CG-CD1 4.06Å; Y758-I779 HydrophobicContact CG-CG1 4.3Å
759	L	82.4	Confident	79.4	Confident	22 Å²	22	71.3 Å²	71.3	12%	0.115	36%	0.364	C	S	.	.	H	α-helix	trans	-62.4	-33.1	174.8	-71.2	172.8	0	0	0	112.4	V755 W757 E763 R775 K776 I779	V755-L759 HydrophobicContact CG1-CD1 4.06Å; V755-L759 VanDerWaalsContact O-CG 3.32Å; V755-L759 WeakPolarHBondContact O-CG 3.3Å; V755-L759 PolarHBondContact O-N 3.17Å; W757-L759 VanDerWaalsContact C-N 3.33Å; W757-L759 PolarHBondContact O-N 2.75Å; L759-E763 PolarHBondContact O-N 3.17Å; L759-R775 HydrophobicContact CD2-CB 4.27Å; L759-K776 HydrophobicContact CD1-CB 4.13Å; L759-K776 HydrophobicContact CD1-CD 4.47Å; L759-K776 HydrophobicContact CD1-CG 4.18Å; L759-K776 HydrophobicContact CD2-CB 4.43Å; L759-I779 HydrophobicContact CD2-CD1 3.81Å; L759-I779 HydrophobicContact CG-CD1 4.12Å
760	K	83.3	Confident	79.6	Confident	155 Å²	155	77.9 Å²	77.9	67%	0.674	40%	0.395	S	S	*	.	H	α-helix	trans	-73.9	-35.8	177	-171.1	178.9	-179.2	-178.6	0	112.6	N756 W757 Y758 I762 E763	N756-K760 WeakPolarHBondContact O-CB 3.13Å; N756-K760 PolarHBondContact O-N 3.43Å; N756-K760 VanDerWaalsContact O-N 3.08Å; W757-K760 WeakPolarHBondContact O-CB 3.44Å; W757-K760 PolarHBondContact O-N 3.26Å; W757-K760 VanDerWaalsContact O-N 3.08Å; Y758-K760 VanDerWaalsContact C-N 3.25Å; Y758-K760 PolarHBondContact O-N 2.85Å; K760-I762 PolarHBondContact O-N 2.61Å; K760-E763 WeakPolarHBondContact O-CB 3.31Å; K760-E763 PolarHBondContact O-N 3.01Å
761	E	80.8	Confident	79.3	Confident	95 Å²	95	77.4 Å²	77.4	44%	0.444	39%	0.393	S	S	.	.	H	α-helix	trans	-66.4	-30.9	176.7	-165.8	174.9	-155.1	0	0	111.9	W757 Y758	W757-E761 WeakPolarHBondContact CH2-OE2 3.13Å; W757-E761 VanDerWaalsContact CZ2-OE2 3.28Å; W757-E761 WeakPolarHBondContact CZ2-OE2 3.27Å; W757-E761 PolarHBondContact O-N 2.89Å; Y758-E761 PolarHBondContact O-N 3.27Å
762	I	78.3	Confident	79.4	Confident	19 Å²	19	78.1 Å²	78.1	10%	0.097	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	7.6	-177.5	-63.1	177.2	0	0	0	112	Y758 K760 S764 E765 I766	Y758-I762 HydrophobicContact CD1-CD1 3.9Å; Y758-I762 HydrophobicContact CD2-CD1 4.34Å; Y758-I762 HydrophobicContact CE1-CD1 3.26Å; Y758-I762 HydrophobicContact CE1-CG1 4.45Å; Y758-I762 HydrophobicContact CE2-CD1 3.7Å; Y758-I762 HydrophobicContact CG-CD1 4.45Å; Y758-I762 PolarHBondContact O-N 2.92Å; Y758-I762 WeakPolarHBondContact OH-CD1 3.5Å; K760-I762 PolarHBondContact O-N 2.61Å; I762-S764 PolarHBondContact O-N 3.3Å; I762-E765 HydrophobicContact CG2-CB 3.86Å; I762-E765 HydrophobicContact CG2-CG 4.2Å; I762-E765 PolarHBondContact O-N 3.16Å; I762-I766 HydrophobicContact CG2-CD1 4.45Å; I762-I766 HydrophobicContact CG2-CG1 4.3Å
763	E	76	Confident	79.3	Confident	139 Å²	139	79.7 Å²	79.7	65%	0.65	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-53.4	-31	179.5	-173	177.6	-171.3	0	0	112.7	L759 K760 E765	L759-E763 PolarHBondContact O-N 3.17Å; K760-E763 WeakPolarHBondContact O-CB 3.31Å; K760-E763 PolarHBondContact O-N 3.01Å; E763-E765 VanDerWaalsContact C-N 3.27Å; E763-E765 PolarHBondContact O-N 2.86Å
764	S	77.2	Confident	79.1	Confident	110 Å²	110	82.8 Å²	82.8	77%	0.769	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-72.9	-13.2	176.8	60.2	0	0	0	0	115.2	I762	I762-S764 PolarHBondContact O-N 3.3Å
765	E	71.2	Confident	78.9	Confident	116 Å²	116	86.4 Å²	86.4	54%	0.542	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-104.9	-4	179.8	-52.2	-172.8	165.5	0	0	112.7	I762 E763	I762-E765 HydrophobicContact CG2-CB 3.86Å; I762-E765 HydrophobicContact CG2-CG 4.2Å; I762-E765 PolarHBondContact O-N 3.16Å; E763-E765 VanDerWaalsContact C-N 3.27Å; E763-E765 PolarHBondContact O-N 2.86Å
766	I	77.1	Confident	78.9	Confident	30 Å²	30	90.4 Å²	90.4	15%	0.154	45%	0.447	C	S	.	.			trans	-101.8	105.2	-175.8	-59.2	169.4	0	0	0	109.3	I762 S768 L772	I762-I766 HydrophobicContact CG2-CD1 4.45Å; I762-I766 HydrophobicContact CG2-CG1 4.3Å; I766-S768 WeakPolarHBondContact CG2-O 3.38Å; I766-L772 HydrophobicContact CG2-CB 3.95Å; I766-L772 HydrophobicContact CG2-CD1 4.48Å
767	D	74.6	Confident	78.7	Confident	157 Å²	157	87 Å²	87	84%	0.84	44%	0.435	S	S	*	.			trans	-94.2	-14.3	179.9	-71.7	-34.5	0	0	0	113.1
768	S	85.6	Confident	78.4	Confident	54 Å²	54	84.6 Å²	84.6	38%	0.378	43%	0.427	S	S	.	.			trans	-138.1	151.5	-174.7	76.3	0	0	0	0	115.1	I766 E770 E771 L772	I766-S768 WeakPolarHBondContact CG2-O 3.38Å; S768-E770 VanDerWaalsContact C-N 3.34Å; S768-E770 PolarHBondContact O-N 3.44Å; S768-E771 PolarHBondContact O-N 3.19Å; S768-E771 WeakPolarHBondContact OG-CB 3.39Å; S768-E771 PolarHBondContact OG-N 2.94Å; S768-L772 PolarHBondContact O-N 3.36Å
769	E	76.8	Confident	78.4	Confident	166 Å²	166	84.1 Å²	84.1	78%	0.776	43%	0.425	S	S	*	.	H	α-helix	trans	-65.5	-34.7	177.7	-170.8	174.4	-173.2	0	0	112.3	L772 I773	E769-L772 PolarHBondContact O-N 3.49Å; E769-I773 WeakPolarHBondContact O-CG1 3.29Å; E769-I773 PolarHBondContact O-N 3.08Å
770	E	76.9	Confident	78.3	Confident	155 Å²	155	86.9 Å²	86.9	72%	0.724	44%	0.438	S	S	*	.	H	α-helix	trans	-66.6	-37.4	175	-68.1	-176.8	173.8	0	0	112	S768 I773 N774	S768-E770 VanDerWaalsContact C-N 3.34Å; S768-E770 PolarHBondContact O-N 3.44Å; E770-I773 PolarHBondContact O-N 3.22Å; E770-N774 PolarHBondContact O-N 2.96Å; E770-N774 VanDerWaalsContact O-N 3.08Å; E770-N774 PolarHBondContact O-ND2 3.4Å
771	E	75.3	Confident	78	Confident	59 Å²	59	82.2 Å²	82.2	28%	0.276	42%	0.418	S	S	.	.	H	α-helix	trans	-69	-35.6	176.9	-171.7	166.5	-164	0	0	111.9	S768 I773 N774 R775	S768-E771 PolarHBondContact O-N 3.19Å; S768-E771 WeakPolarHBondContact OG-CB 3.39Å; S768-E771 PolarHBondContact OG-N 2.94Å; E771-I773 PolarHBondContact O-N 2.66Å; E771-N774 PolarHBondContact O-N 3.36Å; E771-R775 HydrophobicContact CG-CG 4.21Å; E771-R775 WeakPolarHBondContact O-CB 3.3Å; E771-R775 WeakPolarHBondContact O-CG 3.26Å; E771-R775 PolarHBondContact O-N 2.73Å; E771-R775 IonicContact OE1-NE 2.76Å; E771-R775 IonicContact OE1-NH2 3.86Å; E771-R775 PolarHBondContact OE1-NH2 2.92Å
772	L	76.8	Confident	77.9	Confident	78 Å²	78	77.7 Å²	77.7	41%	0.408	40%	0.397	S	S	.	.	H	α-helix	trans	-60.4	-45.2	174.3	-164.7	153.9	0	0	0	111.6	I766 S768 E769 R775 K776	I766-L772 HydrophobicContact CG2-CB 3.95Å; I766-L772 HydrophobicContact CG2-CD1 4.48Å; S768-L772 PolarHBondContact O-N 3.36Å; E769-L772 PolarHBondContact O-N 3.49Å; L772-R775 PolarHBondContact O-N 3.19Å; L772-K776 WeakPolarHBondContact O-CB 3.37Å; L772-K776 PolarHBondContact O-N 3.12Å
773	I	79.2	Confident	78	Confident	107 Å²	107	76.9 Å²	76.9	55%	0.549	39%	0.392	S	S	.	.	H	α-helix	trans	-64.8	-43.9	178.5	-65.1	166.9	0	0	0	110.7	E769 E770 E771 K776 G777	E769-I773 WeakPolarHBondContact O-CG1 3.29Å; E769-I773 PolarHBondContact O-N 3.08Å; E770-I773 PolarHBondContact O-N 3.22Å; E771-I773 PolarHBondContact O-N 2.66Å; I773-K776 PolarHBondContact O-N 3.45Å; I773-G777 PolarHBondContact O-N 2.96Å
774	N	75.8	Confident	78	Confident	95 Å²	95	74 Å²	74	51%	0.508	38%	0.378	S	S	.	.	H	α-helix	trans	-64.4	-42.4	177.7	-74.8	-26.2	0	0	0	112.3	E770 E771 G777 L778	E770-N774 PolarHBondContact O-N 2.96Å; E770-N774 VanDerWaalsContact O-N 3.08Å; E770-N774 PolarHBondContact O-ND2 3.4Å; E771-N774 PolarHBondContact O-N 3.36Å; N774-G777 PolarHBondContact O-N 3Å; N774-L778 WeakPolarHBondContact O-CB 3.38Å; N774-L778 PolarHBondContact O-N 3.32Å
775	R	77.8	Confident	77.8	Confident	77 Å²	77	71.3 Å²	71.3	29%	0.291	35%	0.352	S	S	.	.	H	α-helix	trans	-66.8	-40.7	177.6	-69.1	-67.4	-177	129.2	11.2	111.6	L759 E771 L772 L778 I779	L759-R775 HydrophobicContact CD2-CB 4.27Å; E771-R775 HydrophobicContact CG-CG 4.21Å; E771-R775 WeakPolarHBondContact O-CB 3.3Å; E771-R775 WeakPolarHBondContact O-CG 3.26Å; E771-R775 PolarHBondContact O-N 2.73Å; E771-R775 IonicContact OE1-NE 2.76Å; E771-R775 IonicContact OE1-NH2 3.86Å; E771-R775 PolarHBondContact OE1-NH2 2.92Å; L772-R775 PolarHBondContact O-N 3.19Å; R775-L778 WeakPolarHBondContact O-CB 3.31Å; R775-L778 PolarHBondContact O-N 3.19Å; R775-I779 WeakPolarHBondContact O-CD1 3.37Å; R775-I779 VanDerWaalsContact O-CG1 3.24Å; R775-I779 WeakPolarHBondContact O-CG1 3.4Å; R775-I779 PolarHBondContact O-N 3.35Å
776	K	81.3	Confident	78	Confident	87 Å²	87	65.8 Å²	65.8	38%	0.378	33%	0.326	S	S	.	.	H	α-helix	trans	-57.5	-50.6	173.6	-175.9	179.1	175.1	-175.7	0	111.5	V755 L759 L772 I773 L778 I779 E780	V755-K776 HydrophobicContact CG1-CG 4.04Å; L759-K776 HydrophobicContact CD1-CB 4.13Å; L759-K776 HydrophobicContact CD1-CD 4.47Å; L759-K776 HydrophobicContact CD1-CG 4.18Å; L759-K776 HydrophobicContact CD2-CB 4.43Å; L772-K776 WeakPolarHBondContact O-CB 3.37Å; L772-K776 PolarHBondContact O-N 3.12Å; I773-K776 PolarHBondContact O-N 3.45Å; K776-L778 VanDerWaalsContact C-N 3.29Å; K776-L778 PolarHBondContact O-N 3.25Å; K776-I779 PolarHBondContact O-N 3.06Å; K776-E780 WeakPolarHBondContact CE-OE1 3.39Å; K776-E780 PolarHBondContact O-N 3.34Å; K776-E780 VanDerWaalsContact O-N 3.09Å
777	G	78.6	Confident	77.9	Confident	25 Å²	25	65.3 Å²	65.3	26%	0.258	32%	0.324	S	S	.	.	H	α-helix	trans	-62	-35.4	177.2	0	0	0	0	0	113.1	I773 N774 K781	I773-G777 PolarHBondContact O-N 2.96Å; N774-G777 PolarHBondContact O-N 3Å; G777-K781 WeakPolarHBondContact O-CG 3.43Å; G777-K781 PolarHBondContact O-N 3.13Å; G777-K781 VanDerWaalsContact O-N 3.15Å
778	L	79.9	Confident	77.6	Confident	20 Å²	20	62.6 Å²	62.6	11%	0.105	31%	0.306	C	S	.	.	H	α-helix	trans	-64.6	-44.6	176.4	-173.1	152.9	0	0	0	112.1	L665 L719 L721 I729 N774 R775 K776 K781 V782	L665-L778 HydrophobicContact CD1-CG 4.43Å; L719-L778 HydrophobicContact CD2-CD1 4.43Å; L721-L778 HydrophobicContact CD1-CD1 4.09Å; L721-L778 HydrophobicContact CD1-CD2 4.16Å; I729-L778 HydrophobicContact CD1-CD2 4.16Å; N774-L778 WeakPolarHBondContact O-CB 3.38Å; N774-L778 PolarHBondContact O-N 3.32Å; R775-L778 WeakPolarHBondContact O-CB 3.31Å; R775-L778 PolarHBondContact O-N 3.19Å; K776-L778 VanDerWaalsContact C-N 3.29Å; K776-L778 PolarHBondContact O-N 3.25Å; L778-K781 PolarHBondContact O-N 3.04Å; L778-V782 HydrophobicContact CD2-CG2 4.14Å; L778-V782 VanDerWaalsContact O-CG2 3.28Å; L778-V782 WeakPolarHBondContact O-CG2 3.45Å; L778-V782 PolarHBondContact O-N 3.33Å
779	I	81.5	Confident	76.6	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-68	-41.8	179.7	-60.1	146.4	0	0	0	111	V755 Y758 L759 R775 K776 K781 V782 I783	V755-I779 HydrophobicContact CG2-CG2 4.13Å; Y758-I779 HydrophobicContact CD1-CD1 3.03Å; Y758-I779 HydrophobicContact CD1-CG1 3.46Å; Y758-I779 VanDerWaalsContact CD1-CG1 3.46Å; Y758-I779 HydrophobicContact CE1-CD1 3.31Å; Y758-I779 HydrophobicContact CE1-CG1 3.37Å; Y758-I779 HydrophobicContact CG-CD1 4.06Å; Y758-I779 HydrophobicContact CG-CG1 4.3Å; L759-I779 HydrophobicContact CD2-CD1 3.81Å; L759-I779 HydrophobicContact CG-CD1 4.12Å; R775-I779 WeakPolarHBondContact O-CD1 3.37Å; R775-I779 VanDerWaalsContact O-CG1 3.24Å; R775-I779 WeakPolarHBondContact O-CG1 3.4Å; R775-I779 PolarHBondContact O-N 3.35Å; K776-I779 PolarHBondContact O-N 3.06Å; I779-K781 VanDerWaalsContact C-N 3.29Å; I779-K781 PolarHBondContact O-N 2.85Å; I779-V782 PolarHBondContact O-N 3.49Å; I779-V782 VanDerWaalsContact O-N 3.14Å; I779-I783 HydrophobicContact CG2-CD1 3.84Å; I779-I783 HydrophobicContact CG2-CG1 4.25Å; I779-I783 WeakPolarHBondContact O-CG1 2.89Å; I779-I783 PolarHBondContact O-N 3.22Å
780	E	80.9	Confident	75.9	Confident	80 Å²	80	60 Å²	60	37%	0.374	29%	0.287	S	S	.	.	H	α-helix	trans	-59.2	-42.4	177.2	-75.1	173.6	178.9	0	0	111.2	V755 K776 I783 H784	V755-E780 HydrophobicContact CG2-CG 4.16Å; K776-E780 WeakPolarHBondContact CE-OE1 3.39Å; K776-E780 PolarHBondContact O-N 3.34Å; K776-E780 VanDerWaalsContact O-N 3.09Å; E780-I783 PolarHBondContact O-N 3.06Å; E780-H784 WeakPolarHBondContact O-CB 3.39Å; E780-H784 PolarHBondContact O-N 3.33Å
781	K	77.3	Confident	75.4	Confident	58 Å²	58	58.2 Å²	58.2	25%	0.252	28%	0.278	S	S	.	.	H	α-helix	trans	-66	-38.6	173.7	-71.6	-175	178.5	-165.1	0	112.9	L665 E666 G777 L778 I779 H784 R785	L665-K781 HydrophobicContact CB-CD 4.47Å; E666-K781 IonicContact OE1-NZ 3.76Å; E666-K781 PolarHBondContact OE1-NZ 2.78Å; G777-K781 WeakPolarHBondContact O-CG 3.43Å; G777-K781 PolarHBondContact O-N 3.13Å; G777-K781 VanDerWaalsContact O-N 3.15Å; L778-K781 PolarHBondContact O-N 3.04Å; I779-K781 VanDerWaalsContact C-N 3.29Å; I779-K781 PolarHBondContact O-N 2.85Å; K781-H784 PolarHBondContact O-N 2.85Å; K781-R785 PolarHBondContact O-N 3.4Å; K781-R785 VanDerWaalsContact O-N 3.12Å
782	V	78.8	Confident	75.3	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-65.3	-44.3	175.6	167.2	0	0	0	0	111.4	L665 L721 Y726 I729 L733 L778 I779 R785 L786	L665-V782 HydrophobicContact CD1-CG2 4.23Å; L665-V782 HydrophobicContact CD2-CG2 4.39Å; L721-V782 HydrophobicContact CD2-CG2 4.13Å; Y726-V782 HydrophobicContact CD2-CG1 4.14Å; Y726-V782 HydrophobicContact CD2-CG2 4.12Å; Y726-V782 HydrophobicContact CE2-CB 4.44Å; Y726-V782 HydrophobicContact CE2-CG1 3.83Å; Y726-V782 HydrophobicContact CE2-CG2 4.23Å; I729-V782 HydrophobicContact CG2-CG1 4.04Å; L733-V782 HydrophobicContact CD1-CG1 4.43Å; L778-V782 HydrophobicContact CD2-CG2 4.14Å; L778-V782 VanDerWaalsContact O-CG2 3.28Å; L778-V782 WeakPolarHBondContact O-CG2 3.45Å; L778-V782 PolarHBondContact O-N 3.33Å; I779-V782 PolarHBondContact O-N 3.49Å; I779-V782 VanDerWaalsContact O-N 3.14Å; V782-R785 PolarHBondContact O-N 2.76Å; V782-L786 HydrophobicContact CG1-CD1 3.95Å; V782-L786 HydrophobicContact CG1-CG 4.42Å; V782-L786 WeakPolarHBondContact O-CG 3.13Å; V782-L786 PolarHBondContact O-N 3.38Å
783	I	79.9	Confident	75.1	Confident	2 Å²	2	52.7 Å²	52.7	1%	0.01	25%	0.251	C	S	.	.	H	α-helix	trans	-62.3	-43.9	176.5	-69.2	172.4	0	0	0	110.4	L733 K751 V754 V755 I779 E780 R785 L786 V787 L815	L733-I783 HydrophobicContact CD1-CG1 4.17Å; K751-I783 HydrophobicContact CG-CG2 4.45Å; V754-I783 HydrophobicContact CG1-CD1 4.32Å; V755-I783 HydrophobicContact CG2-CD1 3.69Å; I779-I783 HydrophobicContact CG2-CD1 3.84Å; I779-I783 HydrophobicContact CG2-CG1 4.25Å; I779-I783 WeakPolarHBondContact O-CG1 2.89Å; I779-I783 PolarHBondContact O-N 3.22Å; E780-I783 PolarHBondContact O-N 3.06Å; I783-R785 VanDerWaalsContact C-N 3.3Å; I783-R785 PolarHBondContact O-N 3.12Å; I783-L786 PolarHBondContact O-N 2.95Å; I783-V787 HydrophobicContact CG2-CG2 4.43Å; I783-V787 WeakPolarHBondContact O-CG2 3.28Å; I783-V787 PolarHBondContact O-N 3.47Å; I783-V787 VanDerWaalsContact O-N 3.07Å; I783-L815 HydrophobicContact CG2-CD1 3.8Å; I783-L815 HydrophobicContact CG2-CD2 4.43Å
784	H	76.5	Confident	75	Confident	77 Å²	77	51 Å²	51	36%	0.356	24%	0.242	S	C	.	.	H	α-helix	trans	-55.7	-45.3	176	-174.8	-96.3	0	0	0	111.9	E780 K781 V787 H788	E780-H784 WeakPolarHBondContact O-CB 3.39Å; E780-H784 PolarHBondContact O-N 3.33Å; K781-H784 PolarHBondContact O-N 2.85Å; H784-V787 PolarHBondContact O-N 3.46Å; H784-H788 AromaticContact CD2-CD2 3.52Å; H784-H788 AromaticContact CD2-NE2 3.89Å; H784-H788 AromaticContact CE1-CD2 3.81Å; H784-H788 AromaticContact CG-CD2 4Å; H784-H788 AromaticContact NE2-CD2 3.39Å; H784-H788 PolarHBondContact NE2-CD2 3.08Å; H784-H788 AromaticContact NE2-NE2 3.73Å; H784-H788 PolarHBondContact O-CD2 3.26Å; H784-H788 PolarHBondContact O-N 3.24Å
785	R	71.9	Confident	74.8	Confident	55 Å²	55	50.1 Å²	50.1	21%	0.208	24%	0.235	C	C	.	.	H	α-helix	trans	-65.3	-41	177.5	-170.1	178.7	179.4	122.3	1.4	113.3	I663 K781 V782 I783 V787 Y789 D790	I663-R785 VanDerWaalsContact CG2-CZ 3.47Å; K781-R785 PolarHBondContact O-N 3.4Å; K781-R785 VanDerWaalsContact O-N 3.12Å; V782-R785 PolarHBondContact O-N 2.76Å; I783-R785 VanDerWaalsContact C-N 3.3Å; I783-R785 PolarHBondContact O-N 3.12Å; R785-V787 PolarHBondContact O-N 3.44Å; R785-Y789 HydrophobicContact CG-CD2 4.29Å; R785-Y789 PolarHBondContact O-N 2.78Å; R785-D790 PolarHBondContact O-N 2.88Å
786	L	76.6	Confident	74.4	Confident	0 Å²	0	51 Å²	51	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-64.3	-28.7	177.9	-72.6	171.1	0	0	0	113	Y726 L733 V782 I783 H791 I792 L793	Y726-L786 WeakPolarHBondContact OH-CD2 3.48Å; L733-L786 HydrophobicContact CD1-CD1 4.07Å; V782-L786 HydrophobicContact CG1-CD1 3.95Å; V782-L786 HydrophobicContact CG1-CG 4.42Å; V782-L786 WeakPolarHBondContact O-CG 3.13Å; V782-L786 PolarHBondContact O-N 3.38Å; I783-L786 PolarHBondContact O-N 2.95Å; L786-H791 PolarHBondContact O-N 3.29Å; L786-I792 HydrophobicContact CD2-CB 4.23Å; L786-I792 HydrophobicContact CD2-CD1 3.78Å; L786-I792 HydrophobicContact CD2-CG1 4.49Å; L786-I792 PolarHBondContact O-N 3.38Å; L786-L793 HydrophobicContact CB-CD1 3.88Å; L786-L793 HydrophobicContact CB-CG 4.08Å; L786-L793 HydrophobicContact CD1-CD1 4.07Å; L786-L793 PolarHBondContact O-N 2.78Å; L786-L793 VanDerWaalsContact O-N 3.16Å
787	V	74	Confident	73.2	Confident	19 Å²	19	50.9 Å²	50.9	12%	0.115	26%	0.255	C	S	.	.	H	α-helix	trans	-82.5	-53.3	177.2	175.3	0	0	0	0	111.6	I783 H784 R785 H791 L793 E795 L815	I783-V787 HydrophobicContact CG2-CG2 4.43Å; I783-V787 WeakPolarHBondContact O-CG2 3.28Å; I783-V787 PolarHBondContact O-N 3.47Å; I783-V787 VanDerWaalsContact O-N 3.07Å; H784-V787 PolarHBondContact O-N 3.46Å; R785-V787 PolarHBondContact O-N 3.44Å; V787-H791 PolarHBondContact O-ND1 2.74Å; V787-L793 WeakPolarHBondContact CA-O 3.49Å; V787-L793 HydrophobicContact CG2-CB 3.76Å; V787-E795 HydrophobicContact CG1-CB 4.22Å; V787-L815 HydrophobicContact CG2-CD2 3.78Å
788	H	68.9	Low	71.8	Confident	101 Å²	101	59.4 Å²	59.4	47%	0.468	29%	0.288	S	S	.	.	H	α-helix	trans	-85.9	-30.8	-168.2	-71.8	-76.8	0	0	0	115.1	H784 H791	H784-H788 AromaticContact CD2-CD2 3.52Å; H784-H788 AromaticContact CD2-NE2 3.89Å; H784-H788 AromaticContact CE1-CD2 3.81Å; H784-H788 AromaticContact CG-CD2 4Å; H784-H788 AromaticContact NE2-CD2 3.39Å; H784-H788 PolarHBondContact NE2-CD2 3.08Å; H784-H788 AromaticContact NE2-NE2 3.73Å; H784-H788 PolarHBondContact O-CD2 3.26Å; H784-H788 PolarHBondContact O-N 3.24Å; H788-H791 PolarHBondContact O-CE1 3.27Å
789	Y	64.1	Low	70.1	Confident	97 Å²	97	64.1 Å²	64.1	38%	0.38	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.4	-51.7	-171.9	-65	-94.4	0	0	0	113	E668 R785 H791	E668-Y789 VanDerWaalsContact OE2-CZ 3.24Å; E668-Y789 PolarHBondContact OE2-OH 3.12Å; R785-Y789 HydrophobicContact CG-CD2 4.29Å; R785-Y789 PolarHBondContact O-N 2.78Å; Y789-H791 VanDerWaalsContact C-N 3.28Å; Y789-H791 PolarHBondContact O-N 3.04Å
790	D	62.9	Low	67.9	Low	68 Å²	68	67 Å²	67	36%	0.364	35%	0.347	S	S	.	.	S	Bend	trans	-81.2	-13.8	-176.7	-66.4	-24.9	0	0	0	111.9	Y726 R785 I792	Y726-D790 PolarHBondContact OH-OD2 2.65Å; R785-D790 PolarHBondContact O-N 2.88Å; D790-I792 HydrophobicContact CB-CD1 3.76Å; D790-I792 HydrophobicContact CB-CG1 3.87Å; D790-I792 PolarHBondContact O-N 3.41Å; D790-I792 VanDerWaalsContact O-N 3.08Å
791	H	66.1	Low	66.2	Low	118 Å²	118	71.9 Å²	71.9	55%	0.546	38%	0.375	S	S	.	.			trans	49.7	30.5	-178	-57.6	-48.4	0	0	0	113.9	L786 V787 H788 Y789 N818	L786-H791 PolarHBondContact O-N 3.29Å; V787-H791 PolarHBondContact O-ND1 2.74Å; H788-H791 PolarHBondContact O-CE1 3.27Å; Y789-H791 VanDerWaalsContact C-N 3.28Å; Y789-H791 PolarHBondContact O-N 3.04Å; H791-N818 WeakPolarHBondContact O-CB 3.23Å; H791-N818 PolarHBondContact O-ND2 2.98Å
792	I	71.9	Confident	64.2	Low	18 Å²	18	78.6 Å²	78.6	9%	0.092	40%	0.404	C	S	.	.			trans	-80.6	-35.4	178.9	-64.9	172.9	0	0	0	109.6	V734 L786 D790 N818 Y821	V734-I792 HydrophobicContact CG2-CG2 3.8Å; L786-I792 HydrophobicContact CD2-CB 4.23Å; L786-I792 HydrophobicContact CD2-CD1 3.78Å; L786-I792 HydrophobicContact CD2-CG1 4.49Å; L786-I792 PolarHBondContact O-N 3.38Å; D790-I792 HydrophobicContact CB-CD1 3.76Å; D790-I792 HydrophobicContact CB-CG1 3.87Å; D790-I792 PolarHBondContact O-N 3.41Å; D790-I792 VanDerWaalsContact O-N 3.08Å; I792-N818 WeakPolarHBondContact O-CB 3.45Å; I792-N818 PolarHBondContact O-N 2.86Å; I792-Y821 HydrophobicContact CD1-CD2 4.34Å; I792-Y821 HydrophobicContact CD1-CE2 3.67Å; I792-Y821 HydrophobicContact CG1-CD2 3.9Å; I792-Y821 HydrophobicContact CG1-CE2 3.75Å; I792-Y821 HydrophobicContact CG2-CD1 4.04Å; I792-Y821 HydrophobicContact CG2-CD2 4.09Å; I792-Y821 HydrophobicContact CG2-CE1 4.06Å; I792-Y821 HydrophobicContact CG2-CE2 4.11Å; I792-Y821 HydrophobicContact CG2-CG 4.05Å
793	L	74.1	Confident	62.4	Low	3 Å²	3	82.7 Å²	82.7	2%	0.016	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	143.8	176.8	-60.2	-179.3	0	0	0	110.2	L737 L786 V787 V816 V817	L737-L793 HydrophobicContact CD1-CD1 4.1Å; L737-L793 HydrophobicContact CD1-CD2 3.4Å; L737-L793 VanDerWaalsContact CD1-CD2 3.4Å; L737-L793 HydrophobicContact CD1-CG 4.4Å; L786-L793 HydrophobicContact CB-CD1 3.88Å; L786-L793 HydrophobicContact CB-CG 4.08Å; L786-L793 HydrophobicContact CD1-CD1 4.07Å; L786-L793 PolarHBondContact O-N 2.78Å; L786-L793 VanDerWaalsContact O-N 3.16Å; V787-L793 WeakPolarHBondContact CA-O 3.49Å; V787-L793 HydrophobicContact CG2-CB 3.76Å; L793-V816 CarbonylContact C-O 3.56Å; L793-V816 WeakPolarHBondContact CA-O 3.28Å; L793-V817 HydrophobicContact CD2-CG2 3.99Å
794	I	75.4	Confident	60	Low	72 Å²	72	87.4 Å²	87.4	37%	0.369	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	125.1	176.3	-58.4	174	0	0	0	107.3	L796 V816 N818	I794-L796 HydrophobicContact CG2-CD2 4.45Å; I794-V816 PolarHBondContact N-O 3.48Å; I794-V816 PolarHBondContact O-N 2.93Å; I794-N818 HydrophobicContact CD1-CB 4.37Å
795	E	73.3	Confident	58.2	Low	76 Å²	76	93.6 Å²	93.6	36%	0.355	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	114.1	172.6	-169.5	169.8	-160.4	0	0	109.4	V787 G813 V814 L815	V787-E795 HydrophobicContact CG1-CB 4.22Å; E795-G813 WeakPolarHBondContact OE1-CA 3.44Å; E795-V814 WeakPolarHBondContact CA-O 3.42Å; E795-L815 HydrophobicContact CB-CD2 4.26Å; E795-L815 HydrophobicContact CG-CD2 4.48Å
796	L	68.4	Low	56.2	Low	95 Å²	95	95.7 Å²	95.7	50%	0.497	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	104.7	172.9	-66.2	174.3	0	0	0	108.5	I794 V814 V816	I794-L796 HydrophobicContact CG2-CD2 4.45Å; L796-V814 HydrophobicContact CB-CB 4.4Å; L796-V814 PolarHBondContact N-O 2.89Å; L796-V814 PolarHBondContact O-N 3.41Å; L796-V816 HydrophobicContact CD1-CB 4.41Å; L796-V816 HydrophobicContact CD1-CG2 3.54Å; L796-V816 HydrophobicContact CG-CG2 4.26Å
797	S	56.6	Low	54.6	Low	85 Å²	85	105.6 Å²	105.6	59%	0.594	58%	0.578	S	S	*	*			trans	-80.4	138.5	163.7	60.3	0	0	0	0	109.3	V799	S797-V799 PolarHBondContact O-N 3.19Å; S797-V799 WeakPolarHBondContact OG-CG2 3.12Å
798	Q	49.7	Very low	52.6	Low	203 Å²	203	110 Å²	110	95%	0.949	61%	0.61	S	S	*	*			trans	-70.6	63.5	170.6	-76.8	-170.3	-10.1	0	0	110.7	G800	Q798-G800 PolarHBondContact O-N 3.3Å
799	V	42.5	Very low	51	Low	120 Å²	120	110.1 Å²	110.1	73%	0.727	62%	0.622	S	S	*	*			trans	-93.1	87.5	168.9	-175.2	0	0	0	0	107.7	S797	S797-V799 PolarHBondContact O-N 3.19Å; S797-V799 WeakPolarHBondContact OG-CG2 3.12Å
800	G	36.5	Very low	49.9	Very low	59 Å²	59	115.1 Å²	115.1	61%	0.608	65%	0.649	S	S	*	*			trans	-60	139.2	164.2	0	0	0	0	0	110.5	Q798 K802	Q798-G800 PolarHBondContact O-N 3.3Å; G800-K802 PolarHBondContact O-N 3.08Å
801	L	44.1	Very low	48.9	Very low	183 Å²	183	114.8 Å²	114.8	96%	0.958	66%	0.661	S	S	*	*	S	Bend	trans	-43.7	100.7	168.9	-84.7	125.8	0	0	0	112
802	K	36.4	Very low	48.5	Very low	199 Å²	199	112.6 Å²	112.6	87%	0.865	65%	0.653	S	S	*	*			trans	-171.7	120.6	149.7	-107.2	165.8	-174.4	-178.2	0	110.1	G800 S804	G800-K802 PolarHBondContact O-N 3.08Å; K802-S804 PolarHBondContact O-N 3.13Å
803	G	39.8	Very low	48.1	Very low	86 Å²	86	112 Å²	112	89%	0.887	65%	0.651	S	S	*	*			trans	-66.9	118.3	175.3	0	0	0	0	0	111.9
804	S	31.3	Very low	48.2	Very low	102 Å²	102	113.8 Å²	113.8	71%	0.713	66%	0.663	S	S	*	*			trans	-171.9	117	147.4	51.5	0	0	0	0	107.6	K802 S806	K802-S804 PolarHBondContact O-N 3.13Å; S804-S806 PolarHBondContact O-N 2.97Å
805	E	37.8	Very low	48.2	Very low	206 Å²	206	110.4 Å²	110.4	96%	0.963	65%	0.645	S	S	*	*			trans	-59.3	115.2	173.6	-70.2	172	160.9	0	0	110.1
806	S	29.8	Very low	48.3	Very low	100 Å²	100	108.3 Å²	108.3	70%	0.699	64%	0.637	S	S	*	*			trans	-145.3	121	159	55.6	0	0	0	0	107.2	S804 S808	S804-S806 PolarHBondContact O-N 2.97Å; S806-S808 PolarHBondContact O-N 3.09Å
807	E	42.8	Very low	48.6	Very low	207 Å²	207	104.1 Å²	104.1	97%	0.967	62%	0.616	S	S	*	*			trans	-35.3	112.3	178.3	-67.4	169.3	150.3	0	0	112.2
808	S	32.4	Very low	49.5	Very low	112 Å²	112	101.9 Å²	101.9	78%	0.783	60%	0.597	S	S	*	*			trans	-88.2	119	177.2	54	0	0	0	0	110	S806	S806-S808 PolarHBondContact O-N 3.09Å
809	S	34.4	Very low	50.1	Low	103 Å²	103	97.6 Å²	97.6	72%	0.72	59%	0.587	S	S	*	*			trans	-39.7	138	155.8	53.1	0	0	0	0	111.5	G811	S809-G811 PolarHBondContact O-N 3.44Å
810	E	42.3	Very low	51	Low	203 Å²	203	99 Å²	99	95%	0.949	59%	0.59	S	S	*	*			trans	-47.7	94.1	169.3	-68.5	179.1	152.8	0	0	110.7
811	G	41.8	Very low	52.4	Low	60 Å²	60	98.8 Å²	98.8	62%	0.619	57%	0.572	S	S	*	*			trans	-89.6	127.5	172.1	0	0	0	0	0	108.6	S809 G813	S809-G811 PolarHBondContact O-N 3.44Å; G811-G813 PolarHBondContact O-N 2.79Å
812	D	57.1	Low	53.2	Low	72 Å²	72	96.7 Å²	96.7	39%	0.385	56%	0.56	S	S	.	*			trans	-58.2	100.5	179.3	-155.3	6.1	0	0	0	110.2	K751 T752	K751-D812 WeakPolarHBondContact CB-OD1 3.36Å; T752-D812 WeakPolarHBondContact CB-OD2 3.34Å; T752-D812 VanDerWaalsContact CG2-OD2 3.24Å; T752-D812 WeakPolarHBondContact CG2-OD2 3.41Å; T752-D812 PolarHBondContact N-OD1 2.9Å; T752-D812 PolarHBondContact OG1-OD2 3.17Å
813	G	63.8	Low	54.1	Low	5 Å²	5	89.2 Å²	89.2	5%	0.052	53%	0.529	C	S	.	.	P	Polyproline II helix	trans	-70.6	148.2	-174.5	0	0	0	0	0	112.9	K751 E795 G811	K751-G813 PolarHBondContact N-O 3.17Å; E795-G813 WeakPolarHBondContact OE1-CA 3.44Å; G811-G813 PolarHBondContact O-N 2.79Å
814	V	75.4	Confident	54.6	Low	42 Å²	42	92.1 Å²	92.1	26%	0.255	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	124.3	176.1	179.4	0	0	0	0	108.5	L749 E795 L796 V816	L749-V814 HydrophobicContact CB-CG1 3.66Å; L749-V814 HydrophobicContact CD1-CG1 4.32Å; E795-V814 WeakPolarHBondContact CA-O 3.42Å; L796-V814 HydrophobicContact CB-CB 4.4Å; L796-V814 PolarHBondContact N-O 2.89Å; L796-V814 PolarHBondContact O-N 3.41Å; V814-V816 HydrophobicContact CG1-CG2 4.36Å
815	L	76.4	Confident	54.9	Low	1 Å²	1	98.7 Å²	98.7	1%	0.005	55%	0.547	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	124.7	179.8	-65.8	171.7	0	0	0	110.3	L737 L749 K751 I783 V787 E795	L737-L815 HydrophobicContact CD1-CB 4.41Å; L737-L815 HydrophobicContact CD2-CB 4.27Å; L749-L815 PolarHBondContact O-N 2.93Å; K751-L815 HydrophobicContact CB-CD1 4.08Å; K751-L815 HydrophobicContact CB-CG 4.45Å; K751-L815 HydrophobicContact CG-CD1 4.27Å; I783-L815 HydrophobicContact CG2-CD1 3.8Å; I783-L815 HydrophobicContact CG2-CD2 4.43Å; V787-L815 HydrophobicContact CG2-CD2 3.78Å; E795-L815 HydrophobicContact CB-CD2 4.26Å; E795-L815 HydrophobicContact CG-CD2 4.48Å
816	V	74.6	Confident	55.8	Low	31 Å²	31	93.4 Å²	93.4	19%	0.188	53%	0.526	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	142.7	175.7	-178.3	0	0	0	0	109.9	L793 I794 L796 V814	L793-V816 CarbonylContact C-O 3.56Å; L793-V816 WeakPolarHBondContact CA-O 3.28Å; I794-V816 PolarHBondContact N-O 3.48Å; I794-V816 PolarHBondContact O-N 2.93Å; L796-V816 HydrophobicContact CD1-CB 4.41Å; L796-V816 HydrophobicContact CD1-CG2 3.54Å; L796-V816 HydrophobicContact CG-CG2 4.26Å; V814-V816 HydrophobicContact CG1-CG2 4.36Å
817	V	75.6	Confident	57.1	Low	7 Å²	7	93 Å²	93	4%	0.042	52%	0.517	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	135.8	177.6	-178.3	0	0	0	0	109.8	V734 L737 R738 L793	V734-V817 HydrophobicContact CG1-CG1 4Å; V734-V817 HydrophobicContact CG1-CG2 4.28Å; L737-V817 HydrophobicContact CB-CG2 3.6Å; L737-V817 HydrophobicContact CD1-CG2 4.19Å; R738-V817 HydrophobicContact CG-CG2 4.34Å; L793-V817 HydrophobicContact CD2-CG2 3.99Å
818	N	74.1	Confident	57.9	Low	39 Å²	39	86.7 Å²	86.7	21%	0.209	49%	0.492	C	S	.	.			trans	-60.1	126.4	176.8	-170.8	-28.8	0	0	0	110.9	H791 I792 I794 N820 Y821	H791-N818 WeakPolarHBondContact O-CB 3.23Å; H791-N818 PolarHBondContact O-ND2 2.98Å; I792-N818 WeakPolarHBondContact O-CB 3.45Å; I792-N818 PolarHBondContact O-N 2.86Å; I794-N818 HydrophobicContact CD1-CB 4.37Å; N818-N820 PolarHBondContact O-N 3.41Å; N818-N820 PolarHBondContact OD1-N 2.72Å; N818-Y821 WeakPolarHBondContact O-CB 3.27Å; N818-Y821 PolarHBondContact O-N 3.28Å
819	P	63.1	Low	59.4	Low	113 Å²	113	85.2 Å²	85.2	73%	0.734	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-23.6	-177.4	-25.2	32.1	0	0	0	115
820	N	61.6	Low	61	Low	148 Å²	148	84.1 Å²	84.1	79%	0.791	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-4.7	-179.5	-70.6	-27.9	0	0	0	113.9	N818	N818-N820 PolarHBondContact O-N 3.41Å; N818-N820 PolarHBondContact OD1-N 2.72Å
821	Y	65	Low	62.2	Low	56 Å²	56	76.1 Å²	76.1	22%	0.22	43%	0.427	C	S	.	.			trans	-81.9	123.1	179.9	-170.9	-105	0	0	0	110.4	V734 R738 I792 N818 L823	V734-Y821 HydrophobicContact CG1-CD1 4.11Å; V734-Y821 HydrophobicContact CG1-CE1 4.09Å; V734-Y821 HydrophobicContact CG2-CD1 4.46Å; V734-Y821 HydrophobicContact CG2-CE1 4.1Å; R738-Y821 PolarHBondContact NH2-O 3.37Å; I792-Y821 HydrophobicContact CD1-CD2 4.34Å; I792-Y821 HydrophobicContact CD1-CE2 3.67Å; I792-Y821 HydrophobicContact CG1-CD2 3.9Å; I792-Y821 HydrophobicContact CG1-CE2 3.75Å; I792-Y821 HydrophobicContact CG2-CD1 4.04Å; I792-Y821 HydrophobicContact CG2-CD2 4.09Å; I792-Y821 HydrophobicContact CG2-CE1 4.06Å; I792-Y821 HydrophobicContact CG2-CE2 4.11Å; I792-Y821 HydrophobicContact CG2-CG 4.05Å; N818-Y821 WeakPolarHBondContact O-CB 3.27Å; N818-Y821 PolarHBondContact O-N 3.28Å; Y821-L823 HydrophobicContact CE1-CD2 4.37Å
822	I	61.9	Low	63.7	Low	138 Å²	138	77.3 Å²	77.3	71%	0.708	41%	0.413	S	S	*	.			trans	-110.6	129.7	176.3	-58.7	172.6	0	0	0	107.4	E824	I822-E824 PolarHBondContact O-N 3.28Å
823	L	55.2	Low	64.2	Low	43 Å²	43	77.7 Å²	77.7	23%	0.225	42%	0.415	C	S	.	.			trans	-65.6	118	172.3	-73.7	162.5	0	0	0	108.1	V734 L735 Y821	V734-L823 HydrophobicContact CB-CD2 4.47Å; V734-L823 HydrophobicContact CG1-CD2 4Å; V734-L823 HydrophobicContact CG1-CG 4.34Å; L735-L823 HydrophobicContact CD2-CD1 3.8Å; L735-L823 HydrophobicContact CG-CD1 4.16Å; Y821-L823 HydrophobicContact CE1-CD2 4.37Å
824	E	49.5	Very low	64.2	Low	146 Å²	146	83.8 Å²	83.8	68%	0.682	45%	0.446	S	S	*	.			trans	-80.7	121.9	165.6	-69.3	-175.3	156.1	0	0	108.3	K727 I822	K727-E824 IonicContact NZ-OE2 2.65Å; I822-E824 PolarHBondContact O-N 3.28Å
825	D	38.5	Very low	63.2	Low	241 Å²	241	87.5 Å²	87.5	100%	1.289	46%	0.463	S	S	*	.			trans	-55.2	0	178.6	-76.2	-29.7	0	0	0	114.1

Retrieved 825 of 825 residues in 250.6 ms (Link to these results)

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