A0A096MKL1_PAPAN Loading...

NEDD8-activating enzyme E1 catalytic subunit AlphaSync

Catalytic subunit of the dimeric E1 enzyme, which activates NEDD8. Catalytic subunit of the dimeric UBA3-NAE1 E1 enzyme. E1 activates NEDD8 by first adenylating its C-terminal glycine residue with ATP, thereafter linking this residue to the side chain of the catalytic cysteine, yielding a NEDD8-UBA3 thioester and free AMP. E1 finally transfers NEDD8 to the catalytic cysteine of UBE2M. Down-regulates steroid receptor activity. Necessary for cell cycle progression.

AlphaFold DB (Q8TBC4-2), UniProt , Accession A0A096MKL1, Species PAPAN (Papio anubis, Olive baboon), Gene UBA3, Length 449 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	40.5	Very low	41.3	Very low	241 Å²	241	152.6 Å²	152.6	100%	1.187	89%	0.891	S	S	*	*				0	124.2	0	-74.8	-159.8	-137.5	0	0	106.5
2	A	45.3	Very low	40.6	Very low	105 Å²	105	146.3 Å²	146.3	87%	0.868	88%	0.882	S	S	*	*			trans	88.1	64.8	-162.8	0	0	0	0	0	114.3
3	D	40.1	Very low	39.7	Very low	161 Å²	161	140.5 Å²	140.5	86%	0.861	87%	0.87	S	S	*	*			trans	-81.6	122.5	156.4	-67	-44.1	0	0	0	107.6
4	G	51.8	Low	39.1	Very low	78 Å²	78	140.6 Å²	140.6	80%	0.804	88%	0.877	S	S	*	*			trans	-106.6	104.1	171	0	0	0	0	0	109.3
5	E	42.3	Very low	38.8	Very low	194 Å²	194	135.1 Å²	135.1	91%	0.907	86%	0.858	S	S	*	*	P	Polyproline II helix	trans	-68	121.5	170.6	-71.5	175.1	145.3	0	0	109.9
6	E	44.7	Very low	39.3	Very low	181 Å²	181	136.4 Å²	136.4	85%	0.846	86%	0.856	S	S	*	*	P	Polyproline II helix	trans	-74.4	137.2	163.5	-85.6	-176.6	153.4	0	0	110
7	P	39.9	Very low	40.6	Very low	127 Å²	127	133.3 Å²	133.3	83%	0.825	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-77.1	129.1	-177.6	30.2	-30.7	0	0	0	111.1	A9	P7-A9 PolarHBondContact O-N 3.26Å
8	M	35.4	Very low	42.5	Very low	176 Å²	176	127.7 Å²	127.7	87%	0.867	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-58	123.6	171.4	-64.7	-113.1	-71.3	0	0	110.9	V10	M8-V10 PolarHBondContact O-N 3.39Å
9	A	39.9	Very low	45.1	Very low	107 Å²	107	122.7 Å²	122.7	88%	0.884	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-69.4	127.9	170.5	0	0	0	0	0	109.9	P7	P7-A9 PolarHBondContact O-N 3.26Å
10	V	40.6	Very low	47.6	Very low	139 Å²	139	123.9 Å²	123.9	84%	0.842	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-84.1	134.5	-174.5	-160.3	0	0	0	0	109.3	M8 G12	M8-V10 PolarHBondContact O-N 3.39Å; V10-G12 PolarHBondContact O-N 2.9Å
11	D	33.8	Very low	49.9	Very low	170 Å²	170	127.3 Å²	127.3	91%	0.909	77%	0.771	S	S	*	*			trans	-51.3	107.8	171.8	-93.5	-32.5	0	0	0	111.3
12	G	33	Very low	52.6	Low	76 Å²	76	117.3 Å²	117.3	78%	0.784	73%	0.73	S	S	*	*			trans	-94.7	96.2	172.9	0	0	0	0	0	110.4	V10	V10-G12 PolarHBondContact O-N 2.9Å
13	G	29.5	Very low	55.1	Low	71 Å²	71	113.8 Å²	113.8	73%	0.732	69%	0.694	S	S	*	*			trans	-61.9	145.3	175.8	0	0	0	0	0	114.2	G15	G13-G15 PolarHBondContact O-N 3.46Å; G13-G15 VanDerWaalsContact O-N 3.08Å
14	C	31.2	Very low	57.8	Low	143 Å²	143	107.1 Å²	107.1	97%	0.966	66%	0.657	S	S	*	*	S	Bend	trans	37	56.4	157.6	-162.5	0	0	0	0	115.9
15	G	33.6	Very low	60.1	Low	57 Å²	57	107.1 Å²	107.1	59%	0.588	64%	0.638	S	S	*	*			trans	-87.1	141.9	170.2	0	0	0	0	0	111.3	G13 T17	G13-G15 PolarHBondContact O-N 3.46Å; G13-G15 VanDerWaalsContact O-N 3.08Å; G15-T17 PolarHBondContact O-N 2.74Å
16	D	47.7	Very low	62.7	Low	156 Å²	156	105 Å²	105	83%	0.834	63%	0.628	S	S	*	*			trans	-38.4	109.2	171	-173.1	6.7	0	0	0	111.2	G18	D16-G18 PolarHBondContact O-N 2.89Å
17	T	60.7	Low	65.3	Low	84 Å²	84	97 Å²	97	52%	0.515	59%	0.592	S	S	.	*			trans	-64.1	-1.9	-174.6	57.2	0	0	0	0	113.7	G15 D19 N124	G15-T17 PolarHBondContact O-N 2.74Å; T17-D19 PolarHBondContact O-N 3.09Å; T17-D19 VanDerWaalsContact O-N 3.16Å; T17-N124 PolarHBondContact O-ND2 3.01Å
18	G	75.2	Confident	68.1	Low	32 Å²	32	94.4 Å²	94.4	33%	0.33	57%	0.567	S	S	.	*	S	Bend	trans	67.2	7.6	-176.2	0	0	0	0	0	113.4	D16 N124	D16-G18 PolarHBondContact O-N 2.89Å; G18-N124 VanDerWaalsContact C-ND2 3.34Å; G18-N124 WeakPolarHBondContact CA-ND2 3.25Å; G18-N124 PolarHBondContact O-ND2 2.71Å; G18-N124 VanDerWaalsContact O-ND2 3.16Å
19	D	91.4	Very high	71.1	Confident	33 Å²	33	90.3 Å²	90.3	18%	0.176	55%	0.545	C	S	.	.	P	Polyproline II helix	trans	-99.4	117.5	177.4	-72.2	-41.6	0	0	0	110.6	T17 R23 W24 R80	T17-D19 PolarHBondContact O-N 3.09Å; T17-D19 VanDerWaalsContact O-N 3.16Å; D19-R23 VanDerWaalsContact OD1-CD 3.29Å; D19-R23 WeakPolarHBondContact OD1-CD 3.4Å; D19-R23 IonicContact OD1-CZ 3.65Å; D19-R23 IonicContact OD1-NE 3.74Å; D19-R23 IonicContact OD1-NH1 3.67Å; D19-R23 PolarHBondContact OD1-NH1 2.92Å; D19-W24 PolarHBondContact OD1-NE1 3.11Å; D19-W24 PolarHBondContact OD2-NE1 2.78Å; D19-R80 IonicContact OD1-NH2 2.76Å; D19-R80 PolarHBondContact OD1-NH2 3.09Å; D19-R80 IonicContact OD2-CZ 3.43Å; D19-R80 IonicContact OD2-NH2 3.86Å; D19-R80 PolarHBondContact OD2-NH2 2.89Å
20	W	95.8	Very high	73.9	Confident	147 Å²	147	89.5 Å²	89.5	56%	0.557	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-72	156.1	174.9	63.3	88.4	0	0	0	111.9	G22 R23 P123	W20-G22 PolarHBondContact O-N 3.3Å; W20-R23 HydrophobicContact CD2-CB 4Å; W20-R23 HydrophobicContact CD2-CG 4.15Å; W20-R23 HydrophobicContact CG-CB 4.16Å; W20-R23 HydrophobicContact CH2-CG 4.01Å; W20-R23 HydrophobicContact CZ2-CB 4.15Å; W20-R23 HydrophobicContact CZ2-CG 3.6Å; W20-R23 HydrophobicContact CZ3-CG 4.43Å; W20-R23 VanDerWaalsContact O-CB 3.28Å; W20-R23 WeakPolarHBondContact O-CB 3.28Å; W20-R23 PolarHBondContact O-N 3.14Å; W20-R23 VanDerWaalsContact O-N 3.15Å; W20-P123 HydrophobicContact CH2-CG 4.36Å; W20-P123 HydrophobicContact CZ3-CB 4.26Å; W20-P123 HydrophobicContact CZ3-CG 3.94Å
21	E	96.3	Very high	76.6	Confident	196 Å²	196	82.9 Å²	82.9	92%	0.916	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	129.1	179.8	-168.3	-176.2	171.1	0	0	111.3	R23	E21-R23 VanDerWaalsContact C-N 3.3Å; E21-R23 PolarHBondContact O-N 2.96Å
22	G	96.6	Very high	79.7	Confident	30 Å²	30	78.2 Å²	78.2	31%	0.309	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.2	-2.9	176.6	0	0	0	0	0	116.2	W20 W24 N25	W20-G22 PolarHBondContact O-N 3.3Å; G22-W24 VanDerWaalsContact C-N 3.28Å; G22-W24 PolarHBondContact O-N 3.01Å; G22-N25 VanDerWaalsContact CA-CG 3.44Å; G22-N25 WeakPolarHBondContact CA-ND2 3.18Å; G22-N25 WeakPolarHBondContact CA-OD1 3.17Å; G22-N25 VanDerWaalsContact O-CB 3.31Å; G22-N25 WeakPolarHBondContact O-CB 3.28Å; G22-N25 VanDerWaalsContact O-CG 3.24Å; G22-N25 PolarHBondContact O-N 3.39Å; G22-N25 VanDerWaalsContact O-N 3.12Å; G22-N25 PolarHBondContact O-ND2 3.27Å
23	R	97.5	Very high	82.8	Confident	32 Å²	32	82 Å²	82	12%	0.121	45%	0.445	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.1	-48.6	178.8	-177.8	177	-178.2	175.5	8	113.4	D19 W20 E21 P123	D19-R23 VanDerWaalsContact OD1-CD 3.29Å; D19-R23 WeakPolarHBondContact OD1-CD 3.4Å; D19-R23 IonicContact OD1-CZ 3.65Å; D19-R23 IonicContact OD1-NE 3.74Å; D19-R23 IonicContact OD1-NH1 3.67Å; D19-R23 PolarHBondContact OD1-NH1 2.92Å; W20-R23 HydrophobicContact CD2-CB 4Å; W20-R23 HydrophobicContact CD2-CG 4.15Å; W20-R23 HydrophobicContact CG-CB 4.16Å; W20-R23 HydrophobicContact CH2-CG 4.01Å; W20-R23 HydrophobicContact CZ2-CB 4.15Å; W20-R23 HydrophobicContact CZ2-CG 3.6Å; W20-R23 HydrophobicContact CZ3-CG 4.43Å; W20-R23 VanDerWaalsContact O-CB 3.28Å; W20-R23 WeakPolarHBondContact O-CB 3.28Å; W20-R23 PolarHBondContact O-N 3.14Å; W20-R23 VanDerWaalsContact O-N 3.15Å; E21-R23 VanDerWaalsContact C-N 3.3Å; E21-R23 PolarHBondContact O-N 2.96Å; R23-P123 VanDerWaalsContact CZ-O 3.31Å; R23-P123 PolarHBondContact NH1-O 2.78Å; R23-P123 PolarHBondContact NH2-O 3.33Å
24	W	98	Very high	86	Confident	20 Å²	20	82.7 Å²	82.7	8%	0.076	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	16.2	-174.3	-59.2	117.2	0	0	0	114	D19 G22 H26 V27 K28 L49 L53 A75	D19-W24 PolarHBondContact OD1-NE1 3.11Å; D19-W24 PolarHBondContact OD2-NE1 2.78Å; G22-W24 VanDerWaalsContact C-N 3.28Å; G22-W24 PolarHBondContact O-N 3.01Å; W24-H26 PolarHBondContact O-N 3.05Å; W24-V27 HydrophobicContact CE3-CG2 4.13Å; W24-V27 PolarHBondContact O-N 3.08Å; W24-K28 HydrophobicContact CB-CG 4.37Å; W24-K28 WeakPolarHBondContact O-CG 3.48Å; W24-K28 PolarHBondContact O-N 3.47Å; W24-L49 HydrophobicContact CB-CD1 4.43Å; W24-L49 HydrophobicContact CB-CD2 3.58Å; W24-L49 HydrophobicContact CG-CD1 4.42Å; W24-L49 HydrophobicContact CG-CD2 3.94Å; W24-L53 HydrophobicContact CH2-CD2 4.39Å; W24-L53 HydrophobicContact CZ2-CD2 3.78Å; W24-A75 WeakPolarHBondContact CH2-O 3.22Å
25	N	98.3	Very high	89.2	Confident	79 Å²	79	77.4 Å²	77.4	42%	0.422	41%	0.408	S	S	.	.	H	α-helix	trans	-57.8	-26.3	-175.9	-81.4	-7.9	0	0	0	114.3	G22 K29	G22-N25 VanDerWaalsContact CA-CG 3.44Å; G22-N25 WeakPolarHBondContact CA-ND2 3.18Å; G22-N25 WeakPolarHBondContact CA-OD1 3.17Å; G22-N25 VanDerWaalsContact O-CB 3.31Å; G22-N25 WeakPolarHBondContact O-CB 3.28Å; G22-N25 VanDerWaalsContact O-CG 3.24Å; G22-N25 PolarHBondContact O-N 3.39Å; G22-N25 VanDerWaalsContact O-N 3.12Å; G22-N25 PolarHBondContact O-ND2 3.27Å; N25-K29 WeakPolarHBondContact O-CG 3.42Å; N25-K29 PolarHBondContact O-NZ 3.42Å
26	H	98.6	Very high	92.2	Very high	149 Å²	149	80.4 Å²	80.4	69%	0.69	42%	0.417	S	S	*	.	H	α-helix	trans	-75.9	-40.5	176.8	-66.4	-76.4	0	0	0	111.9	W24 F30	W24-H26 PolarHBondContact O-N 3.05Å; H26-F30 VanDerWaalsContact O-CD2 3.28Å; H26-F30 WeakPolarHBondContact O-CD2 3.35Å; H26-F30 WeakPolarHBondContact O-CE2 3.15Å
27	V	98.5	Very high	94.6	Very high	13 Å²	13	80.3 Å²	80.3	8%	0.079	41%	0.41	C	S	.	.	H	α-helix	trans	-72.9	-46.6	178.2	177	0	0	0	0	110.9	W24 K29 F30 L31 L49 F315	W24-V27 HydrophobicContact CE3-CG2 4.13Å; W24-V27 PolarHBondContact O-N 3.08Å; V27-K29 PolarHBondContact O-N 3.43Å; V27-F30 PolarHBondContact O-N 3.38Å; V27-L31 HydrophobicContact CG1-CD1 3.78Å; V27-L31 HydrophobicContact CG1-CG 4.27Å; V27-L49 HydrophobicContact CG1-CD1 3.89Å; V27-F315 HydrophobicContact CG1-CE2 3.7Å; V27-F315 HydrophobicContact CG1-CZ 3.94Å
28	K	98.3	Very high	96.4	Very high	73 Å²	73	78.1 Å²	78.1	32%	0.317	40%	0.396	S	S	.	.	H	α-helix	trans	-50.9	-36.2	-179.2	-76.5	-175.9	169.2	-160.4	0	113.7	W24 F30 L31 E32 L49	W24-K28 HydrophobicContact CB-CG 4.37Å; W24-K28 WeakPolarHBondContact O-CG 3.48Å; W24-K28 PolarHBondContact O-N 3.47Å; K28-F30 PolarHBondContact O-N 3.31Å; K28-F30 VanDerWaalsContact O-N 3.15Å; K28-L31 PolarHBondContact O-N 2.78Å; K28-L31 VanDerWaalsContact O-N 3.14Å; K28-E32 HydrophobicContact CB-CG 4.36Å; K28-E32 VanDerWaalsContact CD-OE1 3.26Å; K28-E32 WeakPolarHBondContact CD-OE1 3.15Å; K28-E32 WeakPolarHBondContact CG-OE1 3.5Å; K28-E32 IonicContact NZ-OE1 3.49Å; K28-E32 VanDerWaalsContact O-CB 3.32Å; K28-E32 WeakPolarHBondContact O-CB 3.47Å; K28-E32 WeakPolarHBondContact O-CG 3.45Å; K28-E32 PolarHBondContact O-N 3.42Å; K28-L49 HydrophobicContact CD-CD2 4.29Å; K28-L49 HydrophobicContact CG-CD2 3.76Å
29	K	98.5	Very high	97.5	Very high	89 Å²	89	78.9 Å²	78.9	39%	0.387	39%	0.391	S	S	.	.	H	α-helix	trans	-57.4	-30.7	178.4	-74.2	-179.7	-175	72.8	0	113.7	N25 V27 R33	N25-K29 WeakPolarHBondContact O-CG 3.42Å; N25-K29 PolarHBondContact O-NZ 3.42Å; V27-K29 PolarHBondContact O-N 3.43Å; K29-R33 WeakPolarHBondContact O-CB 3.26Å; K29-R33 WeakPolarHBondContact O-CD 3.3Å; K29-R33 WeakPolarHBondContact O-CG 3.47Å
30	F	98.5	Very high	97.8	Very high	90 Å²	90	82.5 Å²	82.5	40%	0.395	42%	0.416	S	S	.	.	H	α-helix	trans	-92.8	-16.1	-178	-58.5	-70.9	0	0	0	113.2	H26 V27 K28 F42 F315 A321 Y322	H26-F30 VanDerWaalsContact O-CD2 3.28Å; H26-F30 WeakPolarHBondContact O-CD2 3.35Å; H26-F30 WeakPolarHBondContact O-CE2 3.15Å; V27-F30 PolarHBondContact O-N 3.38Å; K28-F30 PolarHBondContact O-N 3.31Å; K28-F30 VanDerWaalsContact O-N 3.15Å; F30-F42 WeakPolarHBondContact O-CE2 3.23Å; F30-F42 WeakPolarHBondContact O-CZ 3.42Å; F30-F315 HydrophobicContact CB-CE1 4.21Å; F30-F315 HydrophobicContact CB-CZ 4.37Å; F30-A321 HydrophobicContact CB-CB 4.36Å; F30-Y322 AromaticContact CD1-CE2 3.78Å; F30-Y322 HydrophobicContact CD1-CE2 3.78Å; F30-Y322 HydrophobicContact CE1-CE2 4.23Å
31	L	98.3	Very high	97.9	Very high	1 Å²	1	81.3 Å²	81.3	1%	0.005	42%	0.421	C	S	.	.	H	α-helix	trans	-103.1	-32.1	-177.9	-55.6	-174.8	0	0	0	112.4	V27 K28 P44 S45 L49 F315 T319	V27-L31 HydrophobicContact CG1-CD1 3.78Å; V27-L31 HydrophobicContact CG1-CG 4.27Å; K28-L31 PolarHBondContact O-N 2.78Å; K28-L31 VanDerWaalsContact O-N 3.14Å; L31-P44 CarbonylContact O-C 3.49Å; L31-P44 WeakPolarHBondContact O-CA 3.43Å; L31-S45 PolarHBondContact O-N 2.87Å; L31-L49 HydrophobicContact CD1-CB 4.05Å; L31-L49 HydrophobicContact CD1-CD1 4.39Å; L31-F315 HydrophobicContact CD2-CZ 3.9Å; L31-F315 HydrophobicContact CG-CZ 4.32Å; L31-T319 HydrophobicContact CD2-CG2 3.66Å
32	E	98.3	Very high	98	Very high	72 Å²	72	72.7 Å²	72.7	34%	0.336	38%	0.38	S	S	.	.	S	Bend	trans	-94.2	-4.6	-176.6	-61.3	175	178.9	0	0	112.9	K28 T46	K28-E32 HydrophobicContact CB-CG 4.36Å; K28-E32 VanDerWaalsContact CD-OE1 3.26Å; K28-E32 WeakPolarHBondContact CD-OE1 3.15Å; K28-E32 WeakPolarHBondContact CG-OE1 3.5Å; K28-E32 IonicContact NZ-OE1 3.49Å; K28-E32 VanDerWaalsContact O-CB 3.32Å; K28-E32 WeakPolarHBondContact O-CB 3.47Å; K28-E32 WeakPolarHBondContact O-CG 3.45Å; K28-E32 PolarHBondContact O-N 3.42Å; E32-T46 HydrophobicContact CG-CG2 4.3Å
33	R	98.1	Very high	98	Very high	155 Å²	155	78.2 Å²	78.2	59%	0.585	40%	0.398	S	S	*	.			trans	-130.5	133.4	-175.3	-51.9	178.4	-177.2	-171.9	-4.2	110.5	K29 F42	K29-R33 WeakPolarHBondContact O-CB 3.26Å; K29-R33 WeakPolarHBondContact O-CD 3.3Å; K29-R33 WeakPolarHBondContact O-CG 3.47Å; R33-F42 WeakPolarHBondContact O-CE1 3.34Å
34	S	97.2	Very high	98	Very high	85 Å²	85	79.3 Å²	79.3	59%	0.594	41%	0.409	S	S	*	.			trans	-74.1	166.6	168	-50.4	0	0	0	0	112	P44	S34-P44 VanDerWaalsContact OG-CG 3.26Å; S34-P44 WeakPolarHBondContact OG-CG 3.25Å
35	G	97.3	Very high	98	Very high	32 Å²	32	80.1 Å²	80.1	33%	0.33	42%	0.418	S	S	.	.			trans	-162.1	168.9	173.2	0	0	0	0	0	111.7	F37 T38	G35-F37 PolarHBondContact O-N 3.11Å; G35-T38 PolarHBondContact O-OG1 3.44Å; G35-T38 VanDerWaalsContact O-OG1 3.12Å
36	P	97.8	Very high	97.8	Very high	121 Å²	121	81.4 Å²	81.4	79%	0.786	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-10.3	-176.8	29.2	-36	0	0	0	114.4
37	F	98.2	Very high	97.6	Very high	154 Å²	154	81.2 Å²	81.2	68%	0.675	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.6	11.4	-176.1	-56.3	-61	0	0	0	113	G35 Y322	G35-F37 PolarHBondContact O-N 3.11Å; F37-Y322 HydrophobicContact CB-CD1 3.97Å; F37-Y322 HydrophobicContact CB-CE1 3.9Å; F37-Y322 WeakPolarHBondContact O-CD1 3.49Å
38	T	98.1	Very high	97.5	Very high	37 Å²	37	82.5 Å²	82.5	23%	0.227	44%	0.438	C	S	.	.	S	Bend	trans	-68.2	155.4	177.8	57.2	0	0	0	0	110.7	G35 F42 A321	G35-T38 PolarHBondContact O-OG1 3.44Å; G35-T38 VanDerWaalsContact O-OG1 3.12Å; T38-F42 HydrophobicContact CG2-CD1 3.54Å; T38-F42 HydrophobicContact CG2-CE1 3.96Å; T38-F42 HydrophobicContact CG2-CG 4.12Å; T38-A321 WeakPolarHBondContact CA-O 3.46Å
39	H	98.2	Very high	97.4	Very high	48 Å²	48	79.6 Å²	79.6	22%	0.222	43%	0.426	C	S	.	.			trans	-60.6	150	171	-168.3	-102.6	0	0	0	109.9	D41 F42 S320	H39-D41 IonicContact CE1-OD2 3.48Å; H39-D41 PolarHBondContact CE1-OD2 2.76Å; H39-D41 PolarHBondContact ND1-N 2.96Å; H39-D41 IonicContact ND1-OD2 2.76Å; H39-D41 PolarHBondContact ND1-OD2 3.2Å; H39-D41 PolarHBondContact O-N 2.8Å; H39-D41 VanDerWaalsContact O-N 3.17Å; H39-F42 WeakPolarHBondContact O-CB 3.37Å; H39-F42 PolarHBondContact O-N 2.79Å; H39-S320 WeakPolarHBondContact CB-O 3.39Å; H39-S320 PolarHBondContact N-O 2.78Å
40	P	97.9	Very high	97.3	Very high	110 Å²	110	79 Å²	79	71%	0.714	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-31.1	176	-29.7	37.4	0	0	0	114.6	F42	P40-F42 VanDerWaalsContact C-N 3.32Å
41	D	97.2	Very high	97.1	Very high	122 Å²	122	80.5 Å²	80.5	65%	0.652	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	7.7	179.4	-54.1	-35	0	0	0	113.6	H39	H39-D41 IonicContact CE1-OD2 3.48Å; H39-D41 PolarHBondContact CE1-OD2 2.76Å; H39-D41 PolarHBondContact ND1-N 2.96Å; H39-D41 IonicContact ND1-OD2 2.76Å; H39-D41 PolarHBondContact ND1-OD2 3.2Å; H39-D41 PolarHBondContact O-N 2.8Å; H39-D41 VanDerWaalsContact O-N 3.17Å
42	F	98.1	Very high	96.9	Very high	15 Å²	15	80.6 Å²	80.6	7%	0.066	43%	0.431	C	S	.	.			trans	-77.4	126.8	-179.4	-178.7	-105.4	0	0	0	112.1	F30 R33 T38 H39 P40 P44 S320 A321	F30-F42 WeakPolarHBondContact O-CE2 3.23Å; F30-F42 WeakPolarHBondContact O-CZ 3.42Å; R33-F42 WeakPolarHBondContact O-CE1 3.34Å; T38-F42 HydrophobicContact CG2-CD1 3.54Å; T38-F42 HydrophobicContact CG2-CE1 3.96Å; T38-F42 HydrophobicContact CG2-CG 4.12Å; H39-F42 WeakPolarHBondContact O-CB 3.37Å; H39-F42 PolarHBondContact O-N 2.79Å; P40-F42 VanDerWaalsContact C-N 3.32Å; F42-P44 HydrophobicContact CE1-CB 4.22Å; F42-S320 WeakPolarHBondContact CB-O 3.45Å; F42-A321 HydrophobicContact CD2-CB 4.47Å; F42-A321 HydrophobicContact CE2-CB 4.24Å
43	E	97.6	Very high	96.9	Very high	146 Å²	146	77.2 Å²	77.2	68%	0.682	42%	0.416	S	S	*	.			trans	-119	121.2	171.9	-72	-64.3	148.9	0	0	110.2	S45	E43-S45 PolarHBondContact O-N 3.04Å
44	P	97.5	Very high	96.8	Very high	54 Å²	54	73.4 Å²	73.4	35%	0.351	41%	0.407	S	S	.	.			trans	-65.2	123.7	177.3	30.7	-37.6	0	0	0	110.1	L31 S34 F42	L31-P44 CarbonylContact O-C 3.49Å; L31-P44 WeakPolarHBondContact O-CA 3.43Å; S34-P44 VanDerWaalsContact OG-CG 3.26Å; S34-P44 WeakPolarHBondContact OG-CG 3.25Å; F42-P44 HydrophobicContact CE1-CB 4.22Å
45	S	96.9	Very high	96.8	Very high	37 Å²	37	72.1 Å²	72.1	26%	0.259	40%	0.395	S	S	.	.			trans	-150.2	143	-178	171.4	0	0	0	0	112.5	L31 E43 E47 S48	L31-S45 PolarHBondContact O-N 2.87Å; E43-S45 PolarHBondContact O-N 3.04Å; S45-E47 PolarHBondContact O-N 3.26Å; S45-E47 PolarHBondContact OG-N 3.08Å; S45-S48 WeakPolarHBondContact CB-OG 3.33Å
46	T	94.9	Very high	96.9	Very high	107 Å²	107	70.8 Å²	70.8	66%	0.656	38%	0.381	S	S	*	.	S	Bend	trans	-75.3	-13.1	172	52.6	0	0	0	0	112.7	E32	E32-T46 HydrophobicContact CG-CG2 4.3Å
47	E	94.6	Very high	96.9	Very high	145 Å²	145	68.7 Å²	68.7	68%	0.678	36%	0.36	S	S	*	.	S	Bend	trans	-93.4	-22.9	-178.5	-60.1	-178.1	172.7	0	0	112.7	S45 L49 Q50 F51	S45-E47 PolarHBondContact O-N 3.26Å; S45-E47 PolarHBondContact OG-N 3.08Å; E47-L49 PolarHBondContact O-N 3.04Å; E47-L49 VanDerWaalsContact O-N 3.16Å; E47-Q50 WeakPolarHBondContact O-CB 3.25Å; E47-Q50 PolarHBondContact O-N 2.94Å; E47-F51 PolarHBondContact O-N 2.78Å; E47-F51 VanDerWaalsContact O-N 3.11Å
48	S	95.8	Very high	96.9	Very high	40 Å²	40	61.3 Å²	61.3	28%	0.28	33%	0.327	S	S	.	.	H	α-helix	trans	-57.3	-34.1	-177	-61.7	0	0	0	0	113.5	S45 F51 L52	S45-S48 WeakPolarHBondContact CB-OG 3.33Å; S48-F51 PolarHBondContact O-N 3.05Å; S48-L52 WeakPolarHBondContact O-CB 3.49Å; S48-L52 PolarHBondContact O-N 2.96Å
49	L	97.1	Very high	97	Very high	12 Å²	12	59.6 Å²	59.6	6%	0.063	32%	0.317	C	S	.	.	H	α-helix	trans	-64.6	-42.3	175.6	176.6	62.4	0	0	0	111.5	W24 V27 K28 L31 E47 F51 L52 L53	W24-L49 HydrophobicContact CB-CD1 4.43Å; W24-L49 HydrophobicContact CB-CD2 3.58Å; W24-L49 HydrophobicContact CG-CD1 4.42Å; W24-L49 HydrophobicContact CG-CD2 3.94Å; V27-L49 HydrophobicContact CG1-CD1 3.89Å; K28-L49 HydrophobicContact CD-CD2 4.29Å; K28-L49 HydrophobicContact CG-CD2 3.76Å; L31-L49 HydrophobicContact CD1-CB 4.05Å; L31-L49 HydrophobicContact CD1-CD1 4.39Å; E47-L49 PolarHBondContact O-N 3.04Å; E47-L49 VanDerWaalsContact O-N 3.16Å; L49-F51 VanDerWaalsContact C-N 3.34Å; L49-L52 WeakPolarHBondContact O-CB 3.41Å; L49-L52 PolarHBondContact O-N 3.2Å; L49-L53 HydrophobicContact CD1-CD1 4.07Å; L49-L53 HydrophobicContact CD1-CG 4.19Å; L49-L53 HydrophobicContact CG-CD1 3.86Å; L49-L53 HydrophobicContact CG-CG 4.42Å; L49-L53 VanDerWaalsContact O-CG 3.28Å; L49-L53 WeakPolarHBondContact O-CG 3.45Å; L49-L53 PolarHBondContact O-N 3.16Å
50	Q	95.8	Very high	97	Very high	76 Å²	76	57.3 Å²	57.3	36%	0.355	31%	0.306	S	S	.	.	H	α-helix	trans	-67.4	-40.3	-179.6	-163.1	63.7	41.2	0	0	110.6	E47 L52 L53 D54	E47-Q50 WeakPolarHBondContact O-CB 3.25Å; E47-Q50 PolarHBondContact O-N 2.94Å; Q50-L52 VanDerWaalsContact C-N 3.34Å; Q50-L52 PolarHBondContact O-N 3.32Å; Q50-L53 PolarHBondContact O-N 2.94Å; Q50-D54 WeakPolarHBondContact CG-OD2 3.44Å; Q50-D54 PolarHBondContact NE2-OD1 3.1Å; Q50-D54 VanDerWaalsContact NE2-OD1 3.16Å; Q50-D54 PolarHBondContact NE2-OD2 2.86Å; Q50-D54 WeakPolarHBondContact O-CB 3.2Å; Q50-D54 PolarHBondContact O-N 3.42Å
51	F	93.1	Very high	97	Very high	122 Å²	122	52.1 Å²	52.1	54%	0.535	27%	0.272	S	S	.	.	H	α-helix	trans	-57.3	-45.8	172.7	179.7	-96.9	0	0	0	112.1	E47 S48 L49 T55 C56	E47-F51 PolarHBondContact O-N 2.78Å; E47-F51 VanDerWaalsContact O-N 3.11Å; S48-F51 PolarHBondContact O-N 3.05Å; L49-F51 VanDerWaalsContact C-N 3.34Å; F51-T55 HydrophobicContact CD2-CG2 4.1Å; F51-T55 WeakPolarHBondContact CD2-OG1 3.4Å; F51-T55 HydrophobicContact CE2-CG2 4.28Å; F51-T55 WeakPolarHBondContact CE2-OG1 3.44Å; F51-T55 WeakPolarHBondContact CZ-OG1 3.42Å; F51-T55 PolarHBondContact O-N 3.45Å; F51-T55 PolarHBondContact O-OG1 3.03Å; F51-C56 PolarHBondContact O-N 2.84Å
52	L	96.1	Very high	97	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.01	25%	0.245	C	C	.	.	H	α-helix	trans	-61.6	-43.4	177.4	-168.9	69	0	0	0	112.3	S48 L49 Q50 C56 G78 F79 F315 A318 T319	S48-L52 WeakPolarHBondContact O-CB 3.49Å; S48-L52 PolarHBondContact O-N 2.96Å; L49-L52 WeakPolarHBondContact O-CB 3.41Å; L49-L52 PolarHBondContact O-N 3.2Å; Q50-L52 VanDerWaalsContact C-N 3.34Å; Q50-L52 PolarHBondContact O-N 3.32Å; L52-C56 HydrophobicContact CD1-CB 4.02Å; L52-C56 WeakPolarHBondContact O-CB 3.46Å; L52-G78 CarbonylContact C-O 3.24Å; L52-F79 HydrophobicContact CD1-CD1 3.91Å; L52-F79 HydrophobicContact CD1-CE1 3.41Å; L52-F79 VanDerWaalsContact CD1-CE1 3.41Å; L52-F79 HydrophobicContact CD1-CZ 3.75Å; L52-F79 HydrophobicContact CG-CD1 4.32Å; L52-F79 HydrophobicContact CG-CE1 4.22Å; L52-F79 HydrophobicContact CG-CZ 4.48Å; L52-F315 HydrophobicContact CD2-CD2 4.3Å; L52-F315 HydrophobicContact CD2-CE2 3.98Å; L52-A318 HydrophobicContact CD1-CB 3.71Å; L52-T319 HydrophobicContact CD1-CG2 4.03Å; L52-T319 HydrophobicContact CD2-CG2 4.01Å
53	L	97.2	Very high	96.9	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-67.5	-43.8	-179.8	-71.3	165.9	0	0	0	111.8	W24 L49 Q50 G78 R80	W24-L53 HydrophobicContact CH2-CD2 4.39Å; W24-L53 HydrophobicContact CZ2-CD2 3.78Å; L49-L53 HydrophobicContact CD1-CD1 4.07Å; L49-L53 HydrophobicContact CD1-CG 4.19Å; L49-L53 HydrophobicContact CG-CD1 3.86Å; L49-L53 HydrophobicContact CG-CG 4.42Å; L49-L53 VanDerWaalsContact O-CG 3.28Å; L49-L53 WeakPolarHBondContact O-CG 3.45Å; L49-L53 PolarHBondContact O-N 3.16Å; Q50-L53 PolarHBondContact O-N 2.94Å; L53-G78 WeakPolarHBondContact CA-O 3.06Å; L53-G78 VanDerWaalsContact CD2-O 3.23Å; L53-G78 WeakPolarHBondContact CD2-O 3.14Å; L53-G78 PolarHBondContact N-O 2.96Å; L53-R80 HydrophobicContact CB-CG 4.4Å; L53-R80 HydrophobicContact CD2-CG 3.8Å; L53-R80 VanDerWaalsContact O-CB 3.3Å; L53-R80 WeakPolarHBondContact O-CB 3.33Å
54	D	96.6	Very high	96.6	Very high	75 Å²	75	39.7 Å²	39.7	40%	0.401	22%	0.217	S	C	.	.	H	α-helix	trans	-95.1	-34.2	-166.6	-65.9	-13.9	0	0	0	113.7	Q50 R80 Q81	Q50-D54 WeakPolarHBondContact CG-OD2 3.44Å; Q50-D54 PolarHBondContact NE2-OD1 3.1Å; Q50-D54 VanDerWaalsContact NE2-OD1 3.16Å; Q50-D54 PolarHBondContact NE2-OD2 2.86Å; Q50-D54 WeakPolarHBondContact O-CB 3.2Å; Q50-D54 PolarHBondContact O-N 3.42Å; D54-R80 IonicContact OD1-NH1 3.36Å; D54-Q81 WeakPolarHBondContact O-CG 3.34Å
55	T	97.1	Very high	96.4	Very high	58 Å²	58	37.2 Å²	37.2	36%	0.356	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.4	-30	-167.1	72.9	0	0	0	0	114	F51 K57 H146	F51-T55 HydrophobicContact CD2-CG2 4.1Å; F51-T55 WeakPolarHBondContact CD2-OG1 3.4Å; F51-T55 HydrophobicContact CE2-CG2 4.28Å; F51-T55 WeakPolarHBondContact CE2-OG1 3.44Å; F51-T55 WeakPolarHBondContact CZ-OG1 3.42Å; F51-T55 PolarHBondContact O-N 3.45Å; F51-T55 PolarHBondContact O-OG1 3.03Å; T55-K57 PolarHBondContact O-N 3.45Å; T55-H146 PolarHBondContact O-CE1 3.39Å
56	C	98.2	Very high	96.4	Very high	5 Å²	5	35.7 Å²	35.7	3%	0.034	19%	0.19	C	C	.	.			trans	-74.4	89.7	-171.3	-172.5	0	0	0	0	112.2	F51 L52 V58 F79	F51-C56 PolarHBondContact O-N 2.84Å; L52-C56 HydrophobicContact CD1-CB 4.02Å; L52-C56 WeakPolarHBondContact O-CB 3.46Å; C56-V58 PolarHBondContact O-N 3.48Å; C56-F79 HydrophobicContact CB-CD1 4.46Å
57	K	98.7	Very high	96.5	Very high	76 Å²	76	30.6 Å²	30.6	33%	0.33	16%	0.159	S	C	.	.			trans	-69.1	119.6	172.5	-66.5	-176.8	175.6	-174.6	0	112.6	T55 Q81 Q144 F145 H146	T55-K57 PolarHBondContact O-N 3.45Å; K57-Q81 WeakPolarHBondContact CA-O 3.44Å; K57-Q81 HydrophobicContact CG-CB 4.03Å; K57-Q144 WeakPolarHBondContact CD-O 3.49Å; K57-F145 HydrophobicContact CB-CD1 4.1Å; K57-H146 PolarHBondContact N-ND1 3.05Å; K57-H146 PolarHBondContact O-N 3.29Å
58	V	98.8	Very high	96.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	134.4	176.7	-179.8	0	0	0	0	110.1	C56 L74 F79 Q81 I82 H83 I147 V149 V314	C56-V58 PolarHBondContact O-N 3.48Å; V58-L74 HydrophobicContact CG1-CD1 3.92Å; V58-F79 HydrophobicContact CG2-CD1 3.54Å; V58-F79 HydrophobicContact CG2-CE1 3.73Å; V58-F79 HydrophobicContact CG2-CG 4.42Å; V58-Q81 PolarHBondContact N-O 3.2Å; V58-I82 CarbonylContact O-C 3.59Å; V58-I82 WeakPolarHBondContact O-CA 3.18Å; V58-H83 PolarHBondContact O-N 3.01Å; V58-I147 WeakPolarHBondContact CA-O 3.39Å; V58-I147 HydrophobicContact CG2-CB 4.48Å; V58-V149 HydrophobicContact CG1-CG1 4.41Å; V58-V314 HydrophobicContact CG1-CG1 4.21Å; V58-V314 HydrophobicContact CG2-CG1 4.18Å
59	L	98.9	Very high	96.8	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	127.6	173.6	176.3	65	0	0	0	110.8	I61 H83 I85 F141 Y142 F145 I147 I148 V149	L59-I61 HydrophobicContact CD2-CD1 3.96Å; L59-I61 HydrophobicContact CD2-CG1 3.86Å; L59-I61 HydrophobicContact CG-CD1 4.48Å; L59-I61 HydrophobicContact CG-CG1 3.88Å; L59-H83 HydrophobicContact CD1-CB 3.63Å; L59-I85 HydrophobicContact CD1-CD1 3.83Å; L59-I85 HydrophobicContact CD1-CG1 3.94Å; L59-I85 HydrophobicContact CD2-CD1 3.97Å; L59-I85 HydrophobicContact CG-CD1 4.45Å; L59-F141 HydrophobicContact CD2-CE1 4.07Å; L59-Y142 HydrophobicContact CD2-CD1 3.92Å; L59-Y142 HydrophobicContact CD2-CE1 3.81Å; L59-F145 HydrophobicContact CB-CB 4.4Å; L59-F145 HydrophobicContact CB-CD1 3.7Å; L59-F145 HydrophobicContact CB-CD2 3.87Å; L59-F145 HydrophobicContact CB-CE1 3.88Å; L59-F145 HydrophobicContact CB-CE2 4.03Å; L59-F145 HydrophobicContact CB-CG 3.7Å; L59-F145 HydrophobicContact CB-CZ 4.04Å; L59-F145 HydrophobicContact CD1-CE1 4.43Å; L59-F145 HydrophobicContact CD1-CE2 4.34Å; L59-F145 HydrophobicContact CD1-CZ 4.05Å; L59-F145 HydrophobicContact CD2-CD2 3.95Å; L59-F145 HydrophobicContact CD2-CE2 3.79Å; L59-F145 HydrophobicContact CD2-CZ 4.33Å; L59-F145 HydrophobicContact CG-CD2 4.46Å; L59-F145 HydrophobicContact CG-CE2 4.28Å; L59-F145 HydrophobicContact CG-CZ 4.36Å; L59-I147 PolarHBondContact N-O 3.24Å; L59-I148 HydrophobicContact CB-CG1 4.15Å; L59-I148 HydrophobicContact CB-CG2 4.45Å; L59-I148 HydrophobicContact CD2-CD1 4.09Å; L59-I148 HydrophobicContact CD2-CG1 4.35Å; L59-I148 HydrophobicContact CD2-CG2 4.27Å; L59-I148 HydrophobicContact CG-CG2 4.45Å; L59-I148 CarbonylContact O-C 3.55Å; L59-I148 WeakPolarHBondContact O-CA 3.48Å; L59-V149 PolarHBondContact O-N 3.42Å
60	V	98.9	Very high	96.9	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	124.7	168.1	-176.3	0	0	0	0	109	L70 L71 L74 I82 H83 V84 I85 V149	V60-L70 HydrophobicContact CG1-CB 4.27Å; V60-L70 HydrophobicContact CG1-CD1 4.09Å; V60-L71 HydrophobicContact CB-CD2 4.37Å; V60-L71 HydrophobicContact CG2-CD2 3.98Å; V60-L74 HydrophobicContact CG2-CD1 3.66Å; V60-I82 HydrophobicContact CG2-CG2 3.96Å; V60-H83 PolarHBondContact N-O 2.9Å; V60-V84 HydrophobicContact CB-CG2 4.43Å; V60-V84 VanDerWaalsContact O-CA 3.28Å; V60-V84 WeakPolarHBondContact O-CA 3.16Å; V60-I85 PolarHBondContact O-N 3.44Å; V60-V149 CarbonylContact C-O 3.57Å; V60-V149 WeakPolarHBondContact CA-O 3.49Å; V60-V149 HydrophobicContact CB-CG1 4.27Å; V60-V149 HydrophobicContact CG1-CG1 4.43Å; V60-V149 HydrophobicContact CG2-CG1 3.75Å
61	I	98.7	Very high	97.1	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.005	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	118.1	177.5	-58	-177.9	0	0	0	109.4	L59 I134 Y142 I148 V149 G151 L152 I161	L59-I61 HydrophobicContact CD2-CD1 3.96Å; L59-I61 HydrophobicContact CD2-CG1 3.86Å; L59-I61 HydrophobicContact CG-CD1 4.48Å; L59-I61 HydrophobicContact CG-CG1 3.88Å; I61-I134 HydrophobicContact CD1-CG2 4.25Å; I61-I134 HydrophobicContact CG2-CG2 3.38Å; I61-Y142 HydrophobicContact CD1-CE1 4.42Å; I61-I148 HydrophobicContact CD1-CG2 3.56Å; I61-I148 HydrophobicContact CG1-CG2 3.99Å; I61-V149 PolarHBondContact N-O 3.19Å; I61-G151 PolarHBondContact O-N 3.14Å; I61-L152 HydrophobicContact CG2-CD1 4.18Å; I61-L152 HydrophobicContact CG2-CD2 3.56Å; I61-L152 HydrophobicContact CG2-CG 3.92Å; I61-I161 HydrophobicContact CD1-CD1 3.63Å; I61-I161 HydrophobicContact CD1-CG1 3.68Å
62	G	97.5	Very high	97.3	Very high	7 Å²	7	15.9 Å²	15.9	7%	0.072	9%	0.086	C	C	.	.			trans	89.7	124	-169.5	0	0	0	0	0	111	G67 I85	G62-G67 WeakPolarHBondContact O-CA 3.49Å; G62-I85 WeakPolarHBondContact CA-O 3.31Å; G62-I85 PolarHBondContact N-O 3.43Å
63	A	95.9	Very high	97.5	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.091	C	C	.	.			trans	-101.8	0.4	176.1	0	0	0	0	0	112.5	C68 V84 D86 K110 A114	A63-C68 PolarHBondContact O-SG 3.18Å; A63-V84 HydrophobicContact CB-CG2 3.9Å; A63-D86 WeakPolarHBondContact CA-OD2 3.49Å; A63-D86 HydrophobicContact CB-CB 3.67Å; A63-D86 PolarHBondContact N-OD2 3.41Å; A63-K110 HydrophobicContact CB-CB 4Å; A63-A114 HydrophobicContact CB-CB 4.4Å
64	G	90	Very high	97.5	Very high	16 Å²	16	16.9 Å²	16.9	17%	0.165	9%	0.091	C	C	.	.	S	Bend	trans	-86.3	132.8	177.3	0	0	0	0	0	113.6	L66 G67	G64-L66 PolarHBondContact O-N 2.98Å; G64-G67 PolarHBondContact O-N 3.34Å
65	G	93.8	Very high	97.6	Very high	2 Å²	2	13.3 Å²	13.3	2%	0.021	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	-90	168	0	0	0	0	0	113.2	G67 C68 E69	G65-G67 VanDerWaalsContact C-N 3.28Å; G65-G67 PolarHBondContact O-N 2.83Å; G65-C68 PolarHBondContact O-N 2.8Å; G65-E69 PolarHBondContact O-N 2.75Å
66	L	96.4	Very high	97.7	Very high	4 Å²	4	15.6 Å²	15.6	2%	0.021	8%	0.082	C	C	.	.	H	α-helix	trans	-54.6	-43.3	170.5	-152.2	160.1	0	0	0	111.2	G64 E69 L70 T189 N303 I306 A307	G64-L66 PolarHBondContact O-N 2.98Å; L66-E69 PolarHBondContact O-N 2.88Å; L66-L70 HydrophobicContact CD2-CD1 3.26Å; L66-L70 HydrophobicContact CD2-CD2 4.26Å; L66-L70 HydrophobicContact CD2-CG 3.59Å; L66-L70 WeakPolarHBondContact O-CB 3.33Å; L66-L70 VanDerWaalsContact O-CG 3.31Å; L66-L70 WeakPolarHBondContact O-CG 3.41Å; L66-L70 PolarHBondContact O-N 2.8Å; L66-T189 HydrophobicContact CD1-CG2 4.1Å; L66-N303 PolarHBondContact N-OD1 3.29Å; L66-I306 HydrophobicContact CD1-CB 4.37Å; L66-I306 HydrophobicContact CD1-CG2 3.78Å; L66-I306 HydrophobicContact CG-CG2 4.5Å; L66-A307 HydrophobicContact CD2-CB 4.17Å; L66-A307 HydrophobicContact CG-CB 4.26Å
67	G	97.7	Very high	97.7	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-59	-47.7	178	0	0	0	0	0	114.4	G62 G64 G65 E69 L70 L71	G62-G67 WeakPolarHBondContact O-CA 3.49Å; G64-G67 PolarHBondContact O-N 3.34Å; G65-G67 VanDerWaalsContact C-N 3.28Å; G65-G67 PolarHBondContact O-N 2.83Å; G67-E69 VanDerWaalsContact C-N 3.33Å; G67-E69 PolarHBondContact O-N 2.86Å; G67-L70 PolarHBondContact O-N 3.02Å; G67-L71 WeakPolarHBondContact O-CB 3.45Å; G67-L71 WeakPolarHBondContact O-CG 3.27Å; G67-L71 PolarHBondContact O-N 2.82Å
68	C	98.4	Very high	97.7	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-58.4	-44.8	175.5	-74.7	0	0	0	0	112.1	A63 G65 K72 F99 L100	A63-C68 PolarHBondContact O-SG 3.18Å; G65-C68 PolarHBondContact O-N 2.8Å; C68-K72 PolarHBondContact O-N 2.78Å; C68-F99 HydrophobicContact CB-CD1 4.32Å; C68-F99 HydrophobicContact CB-CE1 3.92Å; C68-F99 HydrophobicContact CB-CZ 4.37Å; C68-F99 WeakPolarHBondContact O-CZ 3.48Å; C68-L100 HydrophobicContact CB-CD1 3.92Å; C68-L100 HydrophobicContact CB-CG 3.96Å
69	E	98.8	Very high	97.7	Very high	25 Å²	25	13.2 Å²	13.2	12%	0.117	8%	0.075	C	C	.	.	H	α-helix	trans	-67.2	-42.1	178.5	-79.9	-72.2	171.3	0	0	112.1	G65 L66 G67 K72 N73 F99 A304 A307	G65-E69 PolarHBondContact O-N 2.75Å; L66-E69 PolarHBondContact O-N 2.88Å; G67-E69 VanDerWaalsContact C-N 3.33Å; G67-E69 PolarHBondContact O-N 2.86Å; E69-K72 PolarHBondContact O-N 3.22Å; E69-K72 WeakPolarHBondContact OE2-CE 3.4Å; E69-K72 IonicContact OE2-NZ 2.82Å; E69-K72 PolarHBondContact OE2-NZ 2.91Å; E69-N73 WeakPolarHBondContact O-CB 3.05Å; E69-N73 PolarHBondContact O-N 3Å; E69-N73 PolarHBondContact O-ND2 2.9Å; E69-N73 PolarHBondContact O-OD1 2.75Å; E69-F99 HydrophobicContact CG-CE1 4.05Å; E69-A304 HydrophobicContact CG-CB 4.21Å; E69-A307 HydrophobicContact CB-CB 3.32Å; E69-A307 HydrophobicContact CG-CB 4.42Å
70	L	98.8	Very high	97.6	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-58	-50.2	175	-78.1	171	0	0	0	111.4	V60 L66 G67 K72 N73 L74 V149 A307 C310 A311	V60-L70 HydrophobicContact CG1-CB 4.27Å; V60-L70 HydrophobicContact CG1-CD1 4.09Å; L66-L70 HydrophobicContact CD2-CD1 3.26Å; L66-L70 HydrophobicContact CD2-CD2 4.26Å; L66-L70 HydrophobicContact CD2-CG 3.59Å; L66-L70 WeakPolarHBondContact O-CB 3.33Å; L66-L70 VanDerWaalsContact O-CG 3.31Å; L66-L70 WeakPolarHBondContact O-CG 3.41Å; L66-L70 PolarHBondContact O-N 2.8Å; G67-L70 PolarHBondContact O-N 3.02Å; L70-K72 PolarHBondContact O-N 3.35Å; L70-N73 PolarHBondContact O-N 3.22Å; L70-N73 VanDerWaalsContact O-N 3.1Å; L70-L74 WeakPolarHBondContact O-CB 3.2Å; L70-L74 VanDerWaalsContact O-CG 3.28Å; L70-L74 WeakPolarHBondContact O-CG 3.41Å; L70-L74 PolarHBondContact O-N 2.94Å; L70-V149 HydrophobicContact CD1-CB 4.45Å; L70-V149 HydrophobicContact CD1-CG1 4.06Å; L70-V149 HydrophobicContact CD1-CG2 3.64Å; L70-V149 HydrophobicContact CD2-CG1 4.45Å; L70-V149 HydrophobicContact CD2-CG2 3.63Å; L70-V149 HydrophobicContact CG-CG2 4.28Å; L70-A307 HydrophobicContact CD2-CB 4.23Å; L70-A307 HydrophobicContact CG-CB 4.07Å; L70-C310 HydrophobicContact CD2-CB 3.75Å; L70-A311 HydrophobicContact CD2-CB 4.29Å
71	L	98.8	Very high	97.6	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-53.4	-53	178.3	-80.3	176.5	0	0	0	111.2	V60 G67 N73 L74 A75 I82 V84 L100 A114 L118 V127	V60-L71 HydrophobicContact CB-CD2 4.37Å; V60-L71 HydrophobicContact CG2-CD2 3.98Å; G67-L71 WeakPolarHBondContact O-CB 3.45Å; G67-L71 WeakPolarHBondContact O-CG 3.27Å; G67-L71 PolarHBondContact O-N 2.82Å; L71-N73 VanDerWaalsContact C-N 3.33Å; L71-N73 PolarHBondContact O-N 3.04Å; L71-L74 PolarHBondContact O-N 2.84Å; L71-A75 VanDerWaalsContact O-CB 3.28Å; L71-A75 WeakPolarHBondContact O-CB 3.31Å; L71-A75 PolarHBondContact O-N 2.9Å; L71-I82 HydrophobicContact CD2-CG2 3.69Å; L71-V84 HydrophobicContact CD1-CG2 4.26Å; L71-V84 HydrophobicContact CD2-CB 4.36Å; L71-L100 HydrophobicContact CD1-CD1 4.05Å; L71-A114 HydrophobicContact CD1-CB 3.81Å; L71-L118 HydrophobicContact CB-CD1 4.39Å; L71-L118 HydrophobicContact CB-CD2 3.72Å; L71-L118 HydrophobicContact CD2-CD2 4.29Å; L71-L118 WeakPolarHBondContact O-CD2 3.34Å; L71-V127 HydrophobicContact CD2-CG1 4.07Å
72	K	98.8	Very high	97.6	Very high	61 Å²	61	16.4 Å²	16.4	27%	0.265	9%	0.088	S	C	.	.	H	α-helix	trans	-55.4	-48.2	174.9	170.3	-176.9	58.8	67.6	0	111.9	C68 E69 L70 L76 F99	C68-K72 PolarHBondContact O-N 2.78Å; E69-K72 PolarHBondContact O-N 3.22Å; E69-K72 WeakPolarHBondContact OE2-CE 3.4Å; E69-K72 IonicContact OE2-NZ 2.82Å; E69-K72 PolarHBondContact OE2-NZ 2.91Å; L70-K72 PolarHBondContact O-N 3.35Å; K72-L76 HydrophobicContact CG-CD1 3.98Å; K72-L76 WeakPolarHBondContact O-CB 3.39Å; K72-L76 WeakPolarHBondContact O-CG 3.41Å; K72-L76 PolarHBondContact O-N 3.49Å; K72-L76 VanDerWaalsContact O-N 3.09Å; K72-F99 HydrophobicContact CB-CE2 4.49Å; K72-F99 HydrophobicContact CB-CZ 3.83Å; K72-F99 HydrophobicContact CD-CE2 4.32Å; K72-F99 HydrophobicContact CD-CZ 3.9Å; K72-F99 HydrophobicContact CG-CZ 4.45Å
73	N	98.8	Very high	97.7	Very high	24 Å²	24	17.1 Å²	17.1	13%	0.128	9%	0.09	C	C	.	.	H	α-helix	trans	-64.7	-46	-174.8	-67.5	-13.6	0	0	0	111.6	E69 L70 L71 L76 S77 A307 A308 A311	E69-N73 WeakPolarHBondContact O-CB 3.05Å; E69-N73 PolarHBondContact O-N 3Å; E69-N73 PolarHBondContact O-ND2 2.9Å; E69-N73 PolarHBondContact O-OD1 2.75Å; L70-N73 PolarHBondContact O-N 3.22Å; L70-N73 VanDerWaalsContact O-N 3.1Å; L71-N73 VanDerWaalsContact C-N 3.33Å; L71-N73 PolarHBondContact O-N 3.04Å; N73-L76 PolarHBondContact O-N 2.99Å; N73-S77 VanDerWaalsContact O-CB 3.29Å; N73-S77 WeakPolarHBondContact O-CB 3.38Å; N73-S77 PolarHBondContact O-N 3.35Å; N73-S77 VanDerWaalsContact O-N 3.08Å; N73-S77 PolarHBondContact O-OG 3.02Å; N73-A307 PolarHBondContact ND2-O 3.14Å; N73-A308 WeakPolarHBondContact ND2-CA 3.5Å; N73-A308 PolarHBondContact ND2-N 3.27Å; N73-A311 HydrophobicContact CB-CB 3.36Å
74	L	98.8	Very high	97.8	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-63.2	-47.7	177.7	-66.8	176.3	0	0	0	111.2	V58 V60 L70 L71 L76 S77 G78 F79 I82 V149 A311 V314	V58-L74 HydrophobicContact CG1-CD1 3.92Å; V60-L74 HydrophobicContact CG2-CD1 3.66Å; L70-L74 WeakPolarHBondContact O-CB 3.2Å; L70-L74 VanDerWaalsContact O-CG 3.28Å; L70-L74 WeakPolarHBondContact O-CG 3.41Å; L70-L74 PolarHBondContact O-N 2.94Å; L71-L74 PolarHBondContact O-N 2.84Å; L74-L76 VanDerWaalsContact C-N 3.25Å; L74-L76 PolarHBondContact O-N 2.96Å; L74-S77 PolarHBondContact O-N 3.33Å; L74-G78 PolarHBondContact O-N 2.77Å; L74-F79 HydrophobicContact CB-CB 4.3Å; L74-F79 HydrophobicContact CB-CD2 4.18Å; L74-F79 HydrophobicContact CB-CG 4.49Å; L74-F79 HydrophobicContact CD2-CD2 3.88Å; L74-F79 HydrophobicContact CD2-CE2 3.97Å; L74-F79 HydrophobicContact CD2-CG 4.46Å; L74-F79 WeakPolarHBondContact O-CD2 3.28Å; L74-F79 PolarHBondContact O-N 3.42Å; L74-I82 HydrophobicContact CB-CD1 3.82Å; L74-V149 HydrophobicContact CD1-CG1 4.13Å; L74-A311 HydrophobicContact CD2-CB 4.33Å; L74-V314 HydrophobicContact CD2-CB 3.77Å; L74-V314 HydrophobicContact CD2-CG1 3.66Å; L74-V314 HydrophobicContact CD2-CG2 4.04Å
75	A	98.6	Very high	98.2	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.008	8%	0.083	C	C	.	.	H	α-helix	trans	-58.4	-37.6	179.1	0	0	0	0	0	112.4	W24 L71 S77 I82 L118 V122	W24-A75 WeakPolarHBondContact CH2-O 3.22Å; L71-A75 VanDerWaalsContact O-CB 3.28Å; L71-A75 WeakPolarHBondContact O-CB 3.31Å; L71-A75 PolarHBondContact O-N 2.9Å; A75-S77 VanDerWaalsContact C-N 3.34Å; A75-I82 HydrophobicContact CB-CD1 4.47Å; A75-L118 HydrophobicContact CB-CD2 3.81Å; A75-L118 HydrophobicContact CB-CG 4.36Å; A75-V122 HydrophobicContact CB-CB 4.37Å; A75-V122 HydrophobicContact CB-CG1 4.17Å; A75-V122 HydrophobicContact CB-CG2 4.17Å
76	L	98.6	Very high	98.5	Very high	105 Å²	105	17.1 Å²	17.1	55%	0.55	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-1.5	177.2	-64.2	176.4	0	0	0	114.2	K72 N73 L74 V122	K72-L76 HydrophobicContact CG-CD1 3.98Å; K72-L76 WeakPolarHBondContact O-CB 3.39Å; K72-L76 WeakPolarHBondContact O-CG 3.41Å; K72-L76 PolarHBondContact O-N 3.49Å; K72-L76 VanDerWaalsContact O-N 3.09Å; N73-L76 PolarHBondContact O-N 2.99Å; L74-L76 VanDerWaalsContact C-N 3.25Å; L74-L76 PolarHBondContact O-N 2.96Å; L76-V122 HydrophobicContact CD2-CG1 4.48Å; L76-V122 HydrophobicContact CD2-CG2 4.29Å
77	S	98.7	Very high	98.5	Very high	30 Å²	30	21.4 Å²	21.4	21%	0.21	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106	9	177.9	-57.6	0	0	0	0	113.5	N73 L74 A75	N73-S77 VanDerWaalsContact O-CB 3.29Å; N73-S77 WeakPolarHBondContact O-CB 3.38Å; N73-S77 PolarHBondContact O-N 3.35Å; N73-S77 VanDerWaalsContact O-N 3.08Å; N73-S77 PolarHBondContact O-OG 3.02Å; L74-S77 PolarHBondContact O-N 3.33Å; A75-S77 VanDerWaalsContact C-N 3.34Å
78	G	97.8	Very high	98.4	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.4	12.9	175	0	0	0	0	0	115	L52 L53 L74	L52-G78 CarbonylContact C-O 3.24Å; L53-G78 WeakPolarHBondContact CA-O 3.06Å; L53-G78 VanDerWaalsContact CD2-O 3.23Å; L53-G78 WeakPolarHBondContact CD2-O 3.14Å; L53-G78 PolarHBondContact N-O 2.96Å; L74-G78 PolarHBondContact O-N 2.77Å
79	F	98.5	Very high	98.4	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.009	14%	0.141	C	C	.	.			trans	-92.9	126.4	172.6	-61.5	-88.4	0	0	0	110.3	L52 C56 V58 L74 I82 V314 F315 A318	L52-F79 HydrophobicContact CD1-CD1 3.91Å; L52-F79 HydrophobicContact CD1-CE1 3.41Å; L52-F79 VanDerWaalsContact CD1-CE1 3.41Å; L52-F79 HydrophobicContact CD1-CZ 3.75Å; L52-F79 HydrophobicContact CG-CD1 4.32Å; L52-F79 HydrophobicContact CG-CE1 4.22Å; L52-F79 HydrophobicContact CG-CZ 4.48Å; C56-F79 HydrophobicContact CB-CD1 4.46Å; V58-F79 HydrophobicContact CG2-CD1 3.54Å; V58-F79 HydrophobicContact CG2-CE1 3.73Å; V58-F79 HydrophobicContact CG2-CG 4.42Å; L74-F79 HydrophobicContact CB-CB 4.3Å; L74-F79 HydrophobicContact CB-CD2 4.18Å; L74-F79 HydrophobicContact CB-CG 4.49Å; L74-F79 HydrophobicContact CD2-CD2 3.88Å; L74-F79 HydrophobicContact CD2-CE2 3.97Å; L74-F79 HydrophobicContact CD2-CG 4.46Å; L74-F79 WeakPolarHBondContact O-CD2 3.28Å; L74-F79 PolarHBondContact O-N 3.42Å; F79-I82 HydrophobicContact CB-CD1 4.06Å; F79-I82 HydrophobicContact CB-CG1 4.1Å; F79-V314 HydrophobicContact CE1-CG1 3.99Å; F79-V314 HydrophobicContact CE2-CG1 4.19Å; F79-V314 HydrophobicContact CZ-CG1 3.65Å; F79-F315 HydrophobicContact CE2-CB 4.38Å; F79-F315 HydrophobicContact CE2-CD2 4.23Å; F79-A318 HydrophobicContact CE1-CB 3.72Å; F79-A318 HydrophobicContact CZ-CB 3.76Å
80	R	98.2	Very high	98.3	Very high	23 Å²	23	26.2 Å²	26.2	9%	0.087	14%	0.136	C	C	.	.			trans	-107.8	-38.2	171	-59.8	176.7	165.5	157.1	-0.7	113.3	D19 L53 D54 I82 N124 N126	D19-R80 IonicContact OD1-NH2 2.76Å; D19-R80 PolarHBondContact OD1-NH2 3.09Å; D19-R80 IonicContact OD2-CZ 3.43Å; D19-R80 IonicContact OD2-NH2 3.86Å; D19-R80 PolarHBondContact OD2-NH2 2.89Å; L53-R80 HydrophobicContact CB-CG 4.4Å; L53-R80 HydrophobicContact CD2-CG 3.8Å; L53-R80 VanDerWaalsContact O-CB 3.3Å; L53-R80 WeakPolarHBondContact O-CB 3.33Å; D54-R80 IonicContact OD1-NH1 3.36Å; R80-I82 VanDerWaalsContact C-N 3.28Å; R80-I82 PolarHBondContact O-N 3.06Å; R80-N124 WeakPolarHBondContact CD-O 3.48Å; R80-N124 VanDerWaalsContact CG-O 3.3Å; R80-N124 WeakPolarHBondContact CG-O 3.23Å; R80-N124 PolarHBondContact NE-O 2.88Å; R80-N126 CarbonylContact O-C 3.5Å; R80-N126 VanDerWaalsContact O-C 3.24Å; R80-N126 WeakPolarHBondContact O-CA 3.34Å; R80-N126 WeakPolarHBondContact O-CB 3.32Å; R80-N126 PolarHBondContact O-N 3.35Å
81	Q	98.5	Very high	98.1	Very high	44 Å²	44	28.6 Å²	28.6	21%	0.206	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	73.5	-176.3	-51.7	-51	-36.2	0	0	110.9	D54 K57 V58 N126	D54-Q81 WeakPolarHBondContact O-CG 3.34Å; K57-Q81 WeakPolarHBondContact CA-O 3.44Å; K57-Q81 HydrophobicContact CG-CB 4.03Å; V58-Q81 PolarHBondContact N-O 3.2Å; Q81-N126 PolarHBondContact OE1-ND2 3.5Å
82	I	98.8	Very high	97.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	131.7	-174.7	-56.8	172.4	0	0	0	109	V58 V60 L71 L74 A75 F79 R80 N126 V127 V128	V58-I82 CarbonylContact O-C 3.59Å; V58-I82 WeakPolarHBondContact O-CA 3.18Å; V60-I82 HydrophobicContact CG2-CG2 3.96Å; L71-I82 HydrophobicContact CD2-CG2 3.69Å; L74-I82 HydrophobicContact CB-CD1 3.82Å; A75-I82 HydrophobicContact CB-CD1 4.47Å; F79-I82 HydrophobicContact CB-CD1 4.06Å; F79-I82 HydrophobicContact CB-CG1 4.1Å; R80-I82 VanDerWaalsContact C-N 3.28Å; R80-I82 PolarHBondContact O-N 3.06Å; I82-N126 PolarHBondContact N-O 3.13Å; I82-N126 VanDerWaalsContact O-O 3.11Å; I82-V127 HydrophobicContact CB-CG2 4.3Å; I82-V127 CarbonylContact O-C 3.48Å; I82-V127 VanDerWaalsContact O-CA 3.23Å; I82-V127 WeakPolarHBondContact O-CA 3.25Å; I82-V128 PolarHBondContact O-N 2.85Å
83	H	98.9	Very high	97.7	Very high	23 Å²	23	32.9 Å²	32.9	11%	0.106	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	148.4	168.6	-74.5	-137.8	0	0	0	109.1	V58 L59 V60 V128 H130 F145	V58-H83 PolarHBondContact O-N 3.01Å; L59-H83 HydrophobicContact CD1-CB 3.63Å; V60-H83 PolarHBondContact N-O 2.9Å; H83-V128 WeakPolarHBondContact CA-O 3.27Å; H83-H130 AromaticContact CE1-NE2 3.86Å; H83-H130 AromaticContact CG-NE2 3.76Å; H83-H130 AromaticContact ND1-CD2 3.94Å; H83-H130 AromaticContact ND1-CE1 3.84Å; H83-H130 AromaticContact ND1-NE2 3Å; H83-H130 PolarHBondContact ND1-NE2 3.05Å; H83-F145 HydrophobicContact CB-CE1 3.65Å; H83-F145 HydrophobicContact CB-CZ 3.89Å; H83-F145 AromaticContact CD2-CE1 3.86Å; H83-F145 AromaticContact CG-CE1 3.5Å; H83-F145 AromaticContact CG-CZ 3.79Å; H83-F145 AromaticContact ND1-CE1 3.78Å; H83-F145 AromaticContact ND1-CZ 3.67Å
84	V	98.8	Very high	97.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	126.5	173.9	60.9	0	0	0	0	111.4	V60 A63 L71 A111 V127 V128 P129 H130	V60-V84 HydrophobicContact CB-CG2 4.43Å; V60-V84 VanDerWaalsContact O-CA 3.28Å; V60-V84 WeakPolarHBondContact O-CA 3.16Å; A63-V84 HydrophobicContact CB-CG2 3.9Å; L71-V84 HydrophobicContact CD1-CG2 4.26Å; L71-V84 HydrophobicContact CD2-CB 4.36Å; V84-A111 HydrophobicContact CG1-CB 4.25Å; V84-V127 HydrophobicContact CB-CG1 4.47Å; V84-V127 HydrophobicContact CG1-CG1 3.82Å; V84-V128 PolarHBondContact N-O 2.85Å; V84-P129 HydrophobicContact CG1-CB 4.33Å; V84-P129 CarbonylContact O-C 3.52Å; V84-H130 WeakPolarHBondContact O-CB 3.47Å; V84-H130 PolarHBondContact O-N 3.03Å
85	I	98.8	Very high	97.5	Very high	3 Å²	3	34.7 Å²	34.7	2%	0.015	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	128.2	172.6	-64.7	165.7	0	0	0	109.3	L59 V60 G62 H130 N132 I134 F137 F141 Y142	L59-I85 HydrophobicContact CD1-CD1 3.83Å; L59-I85 HydrophobicContact CD1-CG1 3.94Å; L59-I85 HydrophobicContact CD2-CD1 3.97Å; L59-I85 HydrophobicContact CG-CD1 4.45Å; V60-I85 PolarHBondContact O-N 3.44Å; G62-I85 WeakPolarHBondContact CA-O 3.31Å; G62-I85 PolarHBondContact N-O 3.43Å; I85-H130 WeakPolarHBondContact CA-O 3.44Å; I85-H130 HydrophobicContact CB-CB 4.41Å; I85-H130 HydrophobicContact CG1-CB 3.71Å; I85-N132 WeakPolarHBondContact CG2-O 3.42Å; I85-I134 HydrophobicContact CG2-CG2 4.06Å; I85-F137 HydrophobicContact CD1-CD2 3.93Å; I85-F137 HydrophobicContact CD1-CE2 3.84Å; I85-F137 HydrophobicContact CG1-CE2 4.08Å; I85-F141 HydrophobicContact CD1-CE1 3.7Å; I85-F141 HydrophobicContact CD1-CZ 3.97Å; I85-Y142 HydrophobicContact CD1-CE1 4.46Å
86	D	98.5	Very high	97.4	Very high	14 Å²	14	39.5 Å²	39.5	8%	0.075	22%	0.217	C	C	.	.			trans	-153.2	139.4	167.3	-163	-69.1	0	0	0	109.3	A63 D88 K110 A111 H130 F131 N132	A63-D86 WeakPolarHBondContact CA-OD2 3.49Å; A63-D86 HydrophobicContact CB-CB 3.67Å; A63-D86 PolarHBondContact N-OD2 3.41Å; D86-D88 WeakPolarHBondContact OD1-CA 3.5Å; D86-D88 VanDerWaalsContact OD1-CB 3.29Å; D86-D88 WeakPolarHBondContact OD1-CB 3.37Å; D86-D88 PolarHBondContact OD1-N 3.31Å; D86-K110 HydrophobicContact CB-CB 4.34Å; D86-A111 HydrophobicContact CB-CB 4.07Å; D86-H130 PolarHBondContact N-O 3.4Å; D86-H130 VanDerWaalsContact N-O 3.16Å; D86-F131 WeakPolarHBondContact O-CA 3.26Å; D86-F131 WeakPolarHBondContact O-CD2 3.46Å; D86-N132 CarbonylContact C-O 3.5Å; D86-N132 PolarHBondContact O-N 2.61Å
87	M	96.6	Very high	97.3	Very high	94 Å²	94	37.1 Å²	37.1	46%	0.463	20%	0.201	S	C	.	.			trans	-99	-6.1	-177.7	69.3	178.4	-179.1	0	0	113.4	F131 N132 K133	M87-F131 VanDerWaalsContact O-CE2 3.24Å; M87-F131 WeakPolarHBondContact O-CE2 3.42Å; M87-N132 PolarHBondContact N-O 3.07Å; M87-K133 HydrophobicContact CB-CG 3.82Å; M87-K133 HydrophobicContact CG-CG 4.35Å; M87-K133 HydrophobicContact SD-CB 4.43Å; M87-K133 HydrophobicContact SD-CD 3.9Å; M87-K133 HydrophobicContact SD-CG 3.64Å
88	D	96.6	Very high	97.3	Very high	53 Å²	53	36 Å²	36	28%	0.283	19%	0.192	S	C	.	.	P	Polyproline II helix	trans	-93.9	158.5	-173.5	-63.9	-20.1	0	0	0	112	D86 K110	D86-D88 WeakPolarHBondContact OD1-CA 3.5Å; D86-D88 VanDerWaalsContact OD1-CB 3.29Å; D86-D88 WeakPolarHBondContact OD1-CB 3.37Å; D86-D88 PolarHBondContact OD1-N 3.31Å; D88-K110 HydrophobicContact CB-CD 3.85Å; D88-K110 HydrophobicContact CB-CG 4.38Å; D88-K110 VanDerWaalsContact CB-NZ 3.26Å; D88-K110 PolarHBondContact O-N 2.79Å; D88-K110 IonicContact OD2-NZ 3.2Å; D88-K110 PolarHBondContact OD2-NZ 3.08Å
89	T	97	Very high	97.3	Very high	71 Å²	71	39.5 Å²	39.5	44%	0.436	21%	0.208	S	C	.	.	B	Isolated β-bridge	trans	-95.7	158.8	165.1	55.5	0	0	0	0	110.8	D91 R108 K110 F131	T89-D91 PolarHBondContact O-N 3.15Å; T89-R108 CarbonylContact C-O 3.51Å; T89-R108 VanDerWaalsContact CA-O 3.31Å; T89-R108 WeakPolarHBondContact CA-O 3.24Å; T89-K110 VanDerWaalsContact O-CE 3.25Å; T89-K110 WeakPolarHBondContact O-CE 3.41Å; T89-F131 HydrophobicContact CG2-CZ 4.23Å
90	I	97.8	Very high	97.3	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.01	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-72.8	124.9	179.8	-64	163.2	0	0	0	109.8	L95 F101 D105 I106 G107 R108 K110 V113	I90-L95 HydrophobicContact CG2-CD2 4.36Å; I90-F101 HydrophobicContact CD1-CB 4.06Å; I90-F101 HydrophobicContact CD1-CD1 3.5Å; I90-F101 VanDerWaalsContact CD1-CD1 3.5Å; I90-F101 HydrophobicContact CD1-CD2 4.39Å; I90-F101 HydrophobicContact CD1-CE1 4.04Å; I90-F101 HydrophobicContact CD1-CG 3.72Å; I90-F101 HydrophobicContact CG1-CB 4.37Å; I90-F101 HydrophobicContact CG1-CD1 3.98Å; I90-F101 HydrophobicContact CG1-CD2 4.03Å; I90-F101 HydrophobicContact CG1-CE1 4.32Å; I90-F101 HydrophobicContact CG1-CE2 4.35Å; I90-F101 HydrophobicContact CG1-CG 3.85Å; I90-F101 HydrophobicContact CG2-CB 3.94Å; I90-F101 HydrophobicContact CG2-CD2 4.37Å; I90-F101 HydrophobicContact CG2-CG 4.22Å; I90-D105 HydrophobicContact CD1-CB 3.74Å; I90-D105 WeakPolarHBondContact CD1-O 3.48Å; I90-I106 HydrophobicContact CG2-CG1 4.41Å; I90-G107 PolarHBondContact O-N 3.33Å; I90-R108 HydrophobicContact CD1-CB 4.5Å; I90-R108 PolarHBondContact N-O 3.3Å; I90-K110 HydrophobicContact CG1-CB 4.45Å; I90-K110 HydrophobicContact CG1-CG 3.76Å; I90-V113 HydrophobicContact CD1-CB 3.73Å; I90-V113 HydrophobicContact CD1-CG1 3.96Å; I90-V113 HydrophobicContact CD1-CG2 3.59Å
91	D	94.6	Very high	97.3	Very high	50 Å²	50	38.7 Å²	38.7	27%	0.267	21%	0.205	S	C	.	.			trans	-108.7	156	173.9	-179.8	-104.4	0	0	0	111.8	T89 S93 N94	T89-D91 PolarHBondContact O-N 3.15Å; D91-S93 PolarHBondContact O-N 2.74Å; D91-S93 WeakPolarHBondContact OD1-CB 3.41Å; D91-S93 PolarHBondContact OD1-N 2.88Å; D91-S93 PolarHBondContact OD1-OG 3.47Å; D91-N94 PolarHBondContact N-OD1 2.95Å; D91-N94 WeakPolarHBondContact O-CB 3.38Å; D91-N94 PolarHBondContact O-N 2.91Å
92	V	95.3	Very high	97.3	Very high	96 Å²	96	42.1 Å²	42.1	58%	0.582	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-56.6	-35.2	178.1	66.1	0	0	0	0	112.7	N94 L95 I106	V92-N94 PolarHBondContact O-N 3.4Å; V92-L95 PolarHBondContact O-N 2.59Å; V92-I106 HydrophobicContact CB-CD1 4.17Å; V92-I106 HydrophobicContact CG2-CD1 4.46Å
93	S	94.3	Very high	97.3	Very high	56 Å²	56	46.7 Å²	46.7	39%	0.392	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-69	-11.1	179.4	68.9	0	0	0	0	113.7	D91 N96 R97	D91-S93 PolarHBondContact O-N 2.74Å; D91-S93 WeakPolarHBondContact OD1-CB 3.41Å; D91-S93 PolarHBondContact OD1-N 2.88Å; D91-S93 PolarHBondContact OD1-OG 3.47Å; S93-N96 PolarHBondContact O-OD1 3.37Å; S93-R97 PolarHBondContact O-NH1 2.94Å
94	N	95.9	Very high	97.2	Very high	11 Å²	11	53.5 Å²	53.5	6%	0.059	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-79.7	-29.9	178.7	-60.8	167.7	0	0	0	111.9	D91 V92 N96 R97 Q98 K110	D91-N94 PolarHBondContact N-OD1 2.95Å; D91-N94 WeakPolarHBondContact O-CB 3.38Å; D91-N94 PolarHBondContact O-N 2.91Å; V92-N94 PolarHBondContact O-N 3.4Å; N94-N96 PolarHBondContact O-N 3.24Å; N94-R97 PolarHBondContact O-N 3.01Å; N94-R97 VanDerWaalsContact O-N 3.16Å; N94-Q98 HydrophobicContact CB-CB 4.36Å; N94-Q98 VanDerWaalsContact CB-CD 3.49Å; N94-Q98 HydrophobicContact CB-CG 4.11Å; N94-Q98 WeakPolarHBondContact O-CB 3.48Å; N94-Q98 VanDerWaalsContact O-CG 3.24Å; N94-Q98 WeakPolarHBondContact O-CG 3.32Å; N94-Q98 PolarHBondContact O-N 3.26Å; N94-K110 WeakPolarHBondContact OD1-CE 3.38Å
95	L	97	Very high	97.2	Very high	50 Å²	50	53.9 Å²	53.9	26%	0.262	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-16.9	-167.8	-55.8	-176.4	0	0	0	114.4	I90 V92 R97 F101 P103 I106	I90-L95 HydrophobicContact CG2-CD2 4.36Å; V92-L95 PolarHBondContact O-N 2.59Å; L95-R97 PolarHBondContact O-N 3.13Å; L95-F101 HydrophobicContact CD2-CB 3.8Å; L95-P103 HydrophobicContact CD1-CB 4.38Å; L95-P103 HydrophobicContact CD1-CG 3.99Å; L95-I106 HydrophobicContact CD1-CD1 4.29Å
96	N	96.3	Very high	97.2	Very high	102 Å²	102	57.5 Å²	57.5	55%	0.545	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-14	177.7	79.6	-40.2	0	0	0	113.9	S93 N94 A298	S93-N96 PolarHBondContact O-OD1 3.37Å; N94-N96 PolarHBondContact O-N 3.24Å; N96-A298 PolarHBondContact ND2-O 3.29Å
97	R	96.6	Very high	97.1	Very high	55 Å²	55	59.2 Å²	59.2	21%	0.208	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-146.1	-12.6	-174.5	68.5	-168.1	176.3	-81.4	6.5	115.1	S93 N94 L95 A298 A300	S93-R97 PolarHBondContact O-NH1 2.94Å; N94-R97 PolarHBondContact O-N 3.01Å; N94-R97 VanDerWaalsContact O-N 3.16Å; L95-R97 PolarHBondContact O-N 3.13Å; R97-A298 VanDerWaalsContact NE-CB 3.31Å; R97-A300 HydrophobicContact CB-CB 4.21Å
98	Q	97.7	Very high	97.2	Very high	7 Å²	7	58 Å²	58	3%	0.033	31%	0.307	C	S	.	.			trans	-106.7	76.1	-175.8	-51.4	-173.6	10.5	0	0	109.4	N94 L100 F101	N94-Q98 HydrophobicContact CB-CB 4.36Å; N94-Q98 VanDerWaalsContact CB-CD 3.49Å; N94-Q98 HydrophobicContact CB-CG 4.11Å; N94-Q98 WeakPolarHBondContact O-CB 3.48Å; N94-Q98 VanDerWaalsContact O-CG 3.24Å; N94-Q98 WeakPolarHBondContact O-CG 3.32Å; N94-Q98 PolarHBondContact O-N 3.26Å; Q98-L100 PolarHBondContact O-N 2.88Å; Q98-L100 VanDerWaalsContact O-N 3.07Å; Q98-F101 HydrophobicContact CB-CD2 3.49Å; Q98-F101 VanDerWaalsContact CB-CD2 3.49Å; Q98-F101 HydrophobicContact CB-CE2 3.75Å; Q98-F101 HydrophobicContact CG-CD2 4.5Å; Q98-F101 HydrophobicContact CG-CE2 4.49Å; Q98-F101 PolarHBondContact O-N 3.09Å
99	F	98.3	Very high	97.3	Very high	74 Å²	74	56.5 Å²	56.5	33%	0.325	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-12.6	-165.1	66.8	-91.9	0	0	0	115.6	C68 E69 K72 F101	C68-F99 HydrophobicContact CB-CD1 4.32Å; C68-F99 HydrophobicContact CB-CE1 3.92Å; C68-F99 HydrophobicContact CB-CZ 4.37Å; C68-F99 WeakPolarHBondContact O-CZ 3.48Å; E69-F99 HydrophobicContact CG-CE1 4.05Å; K72-F99 HydrophobicContact CB-CE2 4.49Å; K72-F99 HydrophobicContact CB-CZ 3.83Å; K72-F99 HydrophobicContact CD-CE2 4.32Å; K72-F99 HydrophobicContact CD-CZ 3.9Å; K72-F99 HydrophobicContact CG-CZ 4.45Å; F99-F101 PolarHBondContact O-N 3.29Å
100	L	98.5	Very high	97.4	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-18.1	174	-60.5	-177.9	0	0	0	112.2	C68 L71 Q98 A114 F117 L118	C68-L100 HydrophobicContact CB-CD1 3.92Å; C68-L100 HydrophobicContact CB-CG 3.96Å; L71-L100 HydrophobicContact CD1-CD1 4.05Å; Q98-L100 PolarHBondContact O-N 2.88Å; Q98-L100 VanDerWaalsContact O-N 3.07Å; L100-A114 HydrophobicContact CD1-CB 3.81Å; L100-F117 HydrophobicContact CB-CB 4.48Å; L100-F117 HydrophobicContact CB-CG 4.44Å; L100-F117 HydrophobicContact CD2-CB 4.33Å; L100-F117 HydrophobicContact CD2-CD1 3.37Å; L100-F117 HydrophobicContact CD2-CE1 3.83Å; L100-F117 HydrophobicContact CD2-CG 3.92Å; L100-F117 WeakPolarHBondContact O-CD2 3.34Å; L100-L118 HydrophobicContact CD1-CD1 4.43Å; L100-L118 HydrophobicContact CD2-CD1 3.91Å
101	F	98.5	Very high	97.4	Very high	7 Å²	7	53.7 Å²	53.7	3%	0.031	28%	0.281	C	S	.	.			trans	-104.3	139.7	-174.7	-48.6	-37	0	0	0	111.3	I90 L95 Q98 F99 K110 V113 A114	I90-F101 HydrophobicContact CD1-CB 4.06Å; I90-F101 HydrophobicContact CD1-CD1 3.5Å; I90-F101 VanDerWaalsContact CD1-CD1 3.5Å; I90-F101 HydrophobicContact CD1-CD2 4.39Å; I90-F101 HydrophobicContact CD1-CE1 4.04Å; I90-F101 HydrophobicContact CD1-CG 3.72Å; I90-F101 HydrophobicContact CG1-CB 4.37Å; I90-F101 HydrophobicContact CG1-CD1 3.98Å; I90-F101 HydrophobicContact CG1-CD2 4.03Å; I90-F101 HydrophobicContact CG1-CE1 4.32Å; I90-F101 HydrophobicContact CG1-CE2 4.35Å; I90-F101 HydrophobicContact CG1-CG 3.85Å; I90-F101 HydrophobicContact CG2-CB 3.94Å; I90-F101 HydrophobicContact CG2-CD2 4.37Å; I90-F101 HydrophobicContact CG2-CG 4.22Å; L95-F101 HydrophobicContact CD2-CB 3.8Å; Q98-F101 HydrophobicContact CB-CD2 3.49Å; Q98-F101 VanDerWaalsContact CB-CD2 3.49Å; Q98-F101 HydrophobicContact CB-CE2 3.75Å; Q98-F101 HydrophobicContact CG-CD2 4.5Å; Q98-F101 HydrophobicContact CG-CE2 4.49Å; Q98-F101 PolarHBondContact O-N 3.09Å; F99-F101 PolarHBondContact O-N 3.29Å; F101-K110 HydrophobicContact CE1-CB 4.47Å; F101-K110 WeakPolarHBondContact CE1-O 3.32Å; F101-K110 HydrophobicContact CE2-CB 4.28Å; F101-K110 HydrophobicContact CE2-CD 4.23Å; F101-K110 HydrophobicContact CE2-CG 4.01Å; F101-K110 HydrophobicContact CZ-CB 3.81Å; F101-K110 HydrophobicContact CZ-CG 4.04Å; F101-V113 HydrophobicContact CD1-CB 4.12Å; F101-V113 HydrophobicContact CD1-CG1 3.81Å; F101-V113 HydrophobicContact CE1-CB 4.2Å; F101-V113 HydrophobicContact CE1-CG1 4.32Å; F101-A114 HydrophobicContact CE1-CB 3.99Å; F101-A114 HydrophobicContact CZ-CB 4.32Å
102	R	98.3	Very high	97.6	Very high	116 Å²	116	55.3 Å²	55.3	44%	0.438	29%	0.288	S	S	.	.			trans	-115.9	163.6	176.4	-52.5	-58.6	177.6	95.6	-3.4	110.3	K104 D105	R102-K104 HydrophobicContact CB-CG 3.95Å; R102-K104 PolarHBondContact O-N 2.94Å; R102-K104 VanDerWaalsContact O-N 3.07Å; R102-D105 WeakPolarHBondContact CA-OD2 3.49Å; R102-D105 WeakPolarHBondContact CB-OD2 3.29Å; R102-D105 PolarHBondContact N-OD2 3.11Å; R102-D105 WeakPolarHBondContact O-CB 3.5Å; R102-D105 PolarHBondContact O-N 2.77Å
103	P	98.3	Very high	97.8	Very high	97 Å²	97	51 Å²	51	63%	0.63	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-54.1	-30.6	176.9	-28.3	35.3	0	0	0	114.5	L95 D105 I106	L95-P103 HydrophobicContact CD1-CB 4.38Å; L95-P103 HydrophobicContact CD1-CG 3.99Å; P103-D105 PolarHBondContact O-N 3.06Å; P103-I106 WeakPolarHBondContact O-CD1 3.44Å; P103-I106 WeakPolarHBondContact O-CG1 3.17Å
104	K	98.4	Very high	98	Very high	166 Å²	166	48.3 Å²	48.3	72%	0.722	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-69.7	-15.1	176.3	60.9	163.7	-169.7	167.1	0	114.3	R102	R102-K104 HydrophobicContact CB-CG 3.95Å; R102-K104 PolarHBondContact O-N 2.94Å; R102-K104 VanDerWaalsContact O-N 3.07Å
105	D	98.4	Very high	98.1	Very high	8 Å²	8	47.9 Å²	47.9	4%	0.043	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-97.5	-3	-174.7	-52.3	-49.7	0	0	0	112.4	I90 R102 P103 G107 R108 V113	I90-D105 HydrophobicContact CD1-CB 3.74Å; I90-D105 WeakPolarHBondContact CD1-O 3.48Å; R102-D105 WeakPolarHBondContact CA-OD2 3.49Å; R102-D105 WeakPolarHBondContact CB-OD2 3.29Å; R102-D105 PolarHBondContact N-OD2 3.11Å; R102-D105 WeakPolarHBondContact O-CB 3.5Å; R102-D105 PolarHBondContact O-N 2.77Å; P103-D105 PolarHBondContact O-N 3.06Å; D105-G107 PolarHBondContact O-N 3.1Å; D105-R108 VanDerWaalsContact O-CB 3.3Å; D105-R108 WeakPolarHBondContact O-CB 3.44Å; D105-R108 PolarHBondContact O-N 3.22Å; D105-R108 IonicContact OD1-NH1 2.7Å; D105-V113 HydrophobicContact CB-CG1 3.98Å; D105-V113 HydrophobicContact CB-CG2 4.29Å
106	I	97.9	Very high	98.2	Very high	78 Å²	78	50.3 Å²	50.3	40%	0.4	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	133.2	178.9	-66.3	171.7	0	0	0	110.3	I90 V92 L95 P103 R108	I90-I106 HydrophobicContact CG2-CG1 4.41Å; V92-I106 HydrophobicContact CB-CD1 4.17Å; V92-I106 HydrophobicContact CG2-CD1 4.46Å; L95-I106 HydrophobicContact CD1-CD1 4.29Å; P103-I106 WeakPolarHBondContact O-CD1 3.44Å; P103-I106 WeakPolarHBondContact O-CG1 3.17Å; I106-R108 VanDerWaalsContact C-N 3.32Å
107	G	97.1	Very high	98.3	Very high	50 Å²	50	47.2 Å²	47.2	52%	0.515	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	87	-13.7	-176.8	0	0	0	0	0	115	I90 D105	I90-G107 PolarHBondContact O-N 3.33Å; D105-G107 PolarHBondContact O-N 3.1Å
108	R	98.5	Very high	98.4	Very high	69 Å²	69	44.8 Å²	44.8	26%	0.26	22%	0.224	S	C	.	.	S	Bend	trans	-79.1	155.8	174.2	-62.7	-179.4	66.2	-160.9	-0.7	111.5	T89 I90 D105 I106 K110 E112 V113 E116	T89-R108 CarbonylContact C-O 3.51Å; T89-R108 VanDerWaalsContact CA-O 3.31Å; T89-R108 WeakPolarHBondContact CA-O 3.24Å; I90-R108 HydrophobicContact CD1-CB 4.5Å; I90-R108 PolarHBondContact N-O 3.3Å; D105-R108 VanDerWaalsContact O-CB 3.3Å; D105-R108 WeakPolarHBondContact O-CB 3.44Å; D105-R108 PolarHBondContact O-N 3.22Å; D105-R108 IonicContact OD1-NH1 2.7Å; I106-R108 VanDerWaalsContact C-N 3.32Å; R108-K110 PolarHBondContact O-N 3.21Å; R108-E112 IonicContact CZ-OE1 2.81Å; R108-E112 IonicContact NE-OE1 2.87Å; R108-E112 IonicContact NH2-OE1 3.98Å; R108-E112 PolarHBondContact NH2-OE1 3.34Å; R108-V113 HydrophobicContact CB-CG2 3.66Å; R108-V113 HydrophobicContact CG-CG2 4.47Å; R108-E116 IonicContact CZ-OE2 3.04Å; R108-E116 IonicContact NH1-OE2 2.95Å; R108-E116 PolarHBondContact NH1-OE2 3.45Å; R108-E116 IonicContact NH2-OE2 3.1Å; R108-E116 PolarHBondContact NH2-OE2 2.71Å
109	P	98.5	Very high	98.4	Very high	22 Å²	22	47.2 Å²	47.2	14%	0.143	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-58.8	131.2	173.1	-26.3	36.8	0	0	0	112.9	A111 E112 V113 F131	P109-A111 PolarHBondContact O-N 3.09Å; P109-E112 HydrophobicContact CB-CB 4.06Å; P109-E112 PolarHBondContact O-N 3.38Å; P109-V113 PolarHBondContact O-N 2.74Å; P109-F131 HydrophobicContact CB-CB 4.18Å; P109-F131 HydrophobicContact CB-CD1 4.09Å; P109-F131 HydrophobicContact CB-CD2 3.64Å; P109-F131 HydrophobicContact CB-CE1 4.39Å; P109-F131 HydrophobicContact CB-CE2 3.95Å; P109-F131 HydrophobicContact CB-CG 3.71Å; P109-F131 HydrophobicContact CB-CZ 4.33Å; P109-F131 HydrophobicContact CG-CD1 3.8Å; P109-F131 HydrophobicContact CG-CD2 4.21Å; P109-F131 HydrophobicContact CG-CE1 3.91Å; P109-F131 HydrophobicContact CG-CE2 4.29Å; P109-F131 HydrophobicContact CG-CG 3.97Å; P109-F131 HydrophobicContact CG-CZ 4.16Å
110	K	98.7	Very high	98.4	Very high	13 Å²	13	49.5 Å²	49.5	6%	0.057	25%	0.252	C	S	.	.	H	α-helix	trans	-59.8	-44.9	-179.8	-70.5	-176.7	-169.2	157.7	0	112.4	A63 D86 D88 T89 I90 N94 F101 R108 E112 A114	A63-K110 HydrophobicContact CB-CB 4Å; D86-K110 HydrophobicContact CB-CB 4.34Å; D88-K110 HydrophobicContact CB-CD 3.85Å; D88-K110 HydrophobicContact CB-CG 4.38Å; D88-K110 VanDerWaalsContact CB-NZ 3.26Å; D88-K110 PolarHBondContact O-N 2.79Å; D88-K110 IonicContact OD2-NZ 3.2Å; D88-K110 PolarHBondContact OD2-NZ 3.08Å; T89-K110 VanDerWaalsContact O-CE 3.25Å; T89-K110 WeakPolarHBondContact O-CE 3.41Å; I90-K110 HydrophobicContact CG1-CB 4.45Å; I90-K110 HydrophobicContact CG1-CG 3.76Å; N94-K110 WeakPolarHBondContact OD1-CE 3.38Å; F101-K110 HydrophobicContact CE1-CB 4.47Å; F101-K110 WeakPolarHBondContact CE1-O 3.32Å; F101-K110 HydrophobicContact CE2-CB 4.28Å; F101-K110 HydrophobicContact CE2-CD 4.23Å; F101-K110 HydrophobicContact CE2-CG 4.01Å; F101-K110 HydrophobicContact CZ-CB 3.81Å; F101-K110 HydrophobicContact CZ-CG 4.04Å; R108-K110 PolarHBondContact O-N 3.21Å; K110-E112 PolarHBondContact O-N 3.09Å; K110-A114 WeakPolarHBondContact O-CB 3.4Å; K110-A114 PolarHBondContact O-N 2.9Å
111	A	98.6	Very high	98.4	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-58.5	-45.8	-178.9	0	0	0	0	0	112	V84 D86 P109 A114 A115 P129	V84-A111 HydrophobicContact CG1-CB 4.25Å; D86-A111 HydrophobicContact CB-CB 4.07Å; P109-A111 PolarHBondContact O-N 3.09Å; A111-A114 PolarHBondContact O-N 2.82Å; A111-A115 WeakPolarHBondContact O-CB 3.49Å; A111-A115 PolarHBondContact O-N 2.8Å; A111-P129 HydrophobicContact CB-CB 4.11Å; A111-P129 WeakPolarHBondContact O-CB 3.41Å
112	E	98.8	Very high	98.4	Very high	85 Å²	85	57 Å²	57	40%	0.397	28%	0.281	S	S	.	.	H	α-helix	trans	-62.8	-52.4	-179	-172.9	-168.3	131.3	0	0	111.7	R108 P109 K110 A114 A115 E116	R108-E112 IonicContact CZ-OE1 2.81Å; R108-E112 IonicContact NE-OE1 2.87Å; R108-E112 IonicContact NH2-OE1 3.98Å; R108-E112 PolarHBondContact NH2-OE1 3.34Å; P109-E112 HydrophobicContact CB-CB 4.06Å; P109-E112 PolarHBondContact O-N 3.38Å; K110-E112 PolarHBondContact O-N 3.09Å; E112-A114 VanDerWaalsContact C-N 3.31Å; E112-A114 PolarHBondContact O-N 3.42Å; E112-A115 PolarHBondContact O-N 3.29Å; E112-E116 WeakPolarHBondContact O-CB 3.46Å; E112-E116 PolarHBondContact O-N 3.31Å
113	V	98.7	Very high	98.3	Very high	4 Å²	4	54 Å²	54	2%	0.024	28%	0.278	C	S	.	.	H	α-helix	trans	-66	-36.5	-179.2	-178.5	0	0	0	0	111.2	I90 F101 D105 R108 P109 E116 F117	I90-V113 HydrophobicContact CD1-CB 3.73Å; I90-V113 HydrophobicContact CD1-CG1 3.96Å; I90-V113 HydrophobicContact CD1-CG2 3.59Å; F101-V113 HydrophobicContact CD1-CB 4.12Å; F101-V113 HydrophobicContact CD1-CG1 3.81Å; F101-V113 HydrophobicContact CE1-CB 4.2Å; F101-V113 HydrophobicContact CE1-CG1 4.32Å; D105-V113 HydrophobicContact CB-CG1 3.98Å; D105-V113 HydrophobicContact CB-CG2 4.29Å; R108-V113 HydrophobicContact CB-CG2 3.66Å; R108-V113 HydrophobicContact CG-CG2 4.47Å; P109-V113 PolarHBondContact O-N 2.74Å; V113-E116 PolarHBondContact O-N 3.1Å; V113-F117 WeakPolarHBondContact O-CB 3.49Å; V113-F117 PolarHBondContact O-N 3.26Å
114	A	98.7	Very high	98.2	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-61.9	-45.6	175.9	0	0	0	0	0	111.4	A63 L71 L100 F101 K110 A111 E112 L118	A63-A114 HydrophobicContact CB-CB 4.4Å; L71-A114 HydrophobicContact CD1-CB 3.81Å; L100-A114 HydrophobicContact CD1-CB 3.81Å; F101-A114 HydrophobicContact CE1-CB 3.99Å; F101-A114 HydrophobicContact CZ-CB 4.32Å; K110-A114 WeakPolarHBondContact O-CB 3.4Å; K110-A114 PolarHBondContact O-N 2.9Å; A111-A114 PolarHBondContact O-N 2.82Å; E112-A114 VanDerWaalsContact C-N 3.31Å; E112-A114 PolarHBondContact O-N 3.42Å; A114-L118 WeakPolarHBondContact O-CB 3.32Å; A114-L118 PolarHBondContact O-N 2.95Å; A114-L118 VanDerWaalsContact O-N 3.11Å
115	A	98.8	Very high	98.1	Very high	3 Å²	3	45.5 Å²	45.5	3%	0.025	24%	0.235	C	C	.	.	H	α-helix	trans	-65.2	-46.6	176.7	0	0	0	0	0	112.2	A111 E112 F117 L118 N119 V127 P129	A111-A115 WeakPolarHBondContact O-CB 3.49Å; A111-A115 PolarHBondContact O-N 2.8Å; E112-A115 PolarHBondContact O-N 3.29Å; A115-F117 PolarHBondContact O-N 2.98Å; A115-L118 PolarHBondContact O-N 2.79Å; A115-N119 WeakPolarHBondContact O-CB 3Å; A115-N119 VanDerWaalsContact O-CG 3.25Å; A115-N119 PolarHBondContact O-N 3.21Å; A115-N119 PolarHBondContact O-ND2 2.91Å; A115-V127 HydrophobicContact CB-CB 3.97Å; A115-V127 HydrophobicContact CB-CG1 3.68Å; A115-P129 HydrophobicContact CB-CB 3.83Å; A115-P129 HydrophobicContact CB-CG 3.89Å
116	E	98.6	Very high	98.1	Very high	100 Å²	100	48.5 Å²	48.5	47%	0.467	25%	0.252	S	S	.	.	H	α-helix	trans	-53.6	-52.7	176.1	-176.5	-170.4	157.8	0	0	111	R108 E112 V113 L118 D120	R108-E116 IonicContact CZ-OE2 3.04Å; R108-E116 IonicContact NH1-OE2 2.95Å; R108-E116 PolarHBondContact NH1-OE2 3.45Å; R108-E116 IonicContact NH2-OE2 3.1Å; R108-E116 PolarHBondContact NH2-OE2 2.71Å; E112-E116 WeakPolarHBondContact O-CB 3.46Å; E112-E116 PolarHBondContact O-N 3.31Å; V113-E116 PolarHBondContact O-N 3.1Å; E116-L118 VanDerWaalsContact C-N 3.34Å; E116-L118 PolarHBondContact O-N 3.09Å; E116-D120 WeakPolarHBondContact O-CB 3.21Å; E116-D120 PolarHBondContact O-N 3.14Å; E116-D120 VanDerWaalsContact O-N 3.16Å
117	F	98.7	Very high	98.2	Very high	38 Å²	38	45 Å²	45	17%	0.167	23%	0.233	C	C	.	.	H	α-helix	trans	-61.1	-43.3	-178.7	-170.4	-73.4	0	0	0	111.8	L100 V113 A115 R121	L100-F117 HydrophobicContact CB-CB 4.48Å; L100-F117 HydrophobicContact CB-CG 4.44Å; L100-F117 HydrophobicContact CD2-CB 4.33Å; L100-F117 HydrophobicContact CD2-CD1 3.37Å; L100-F117 HydrophobicContact CD2-CE1 3.83Å; L100-F117 HydrophobicContact CD2-CG 3.92Å; L100-F117 WeakPolarHBondContact O-CD2 3.34Å; V113-F117 WeakPolarHBondContact O-CB 3.49Å; V113-F117 PolarHBondContact O-N 3.26Å; A115-F117 PolarHBondContact O-N 2.98Å; F117-R121 HydrophobicContact CD1-CB 4.14Å; F117-R121 HydrophobicContact CE1-CB 4Å; F117-R121 HydrophobicContact CE1-CG 4.17Å; F117-R121 WeakPolarHBondContact O-CB 3.32Å; F117-R121 PolarHBondContact O-N 2.72Å
118	L	98.4	Very high	98.3	Very high	4 Å²	4	44.7 Å²	44.7	2%	0.021	22%	0.222	C	C	.	.	H	α-helix	trans	-74.5	-40.5	-173.4	-141.6	77.4	0	0	0	112.4	L71 A75 L100 A114 A115 E116 D120 R121 V122 V127	L71-L118 HydrophobicContact CB-CD1 4.39Å; L71-L118 HydrophobicContact CB-CD2 3.72Å; L71-L118 HydrophobicContact CD2-CD2 4.29Å; L71-L118 WeakPolarHBondContact O-CD2 3.34Å; A75-L118 HydrophobicContact CB-CD2 3.81Å; A75-L118 HydrophobicContact CB-CG 4.36Å; L100-L118 HydrophobicContact CD1-CD1 4.43Å; L100-L118 HydrophobicContact CD2-CD1 3.91Å; A114-L118 WeakPolarHBondContact O-CB 3.32Å; A114-L118 PolarHBondContact O-N 2.95Å; A114-L118 VanDerWaalsContact O-N 3.11Å; A115-L118 PolarHBondContact O-N 2.79Å; E116-L118 VanDerWaalsContact C-N 3.34Å; E116-L118 PolarHBondContact O-N 3.09Å; L118-D120 VanDerWaalsContact C-N 3.26Å; L118-D120 PolarHBondContact O-N 3.24Å; L118-R121 PolarHBondContact O-N 3.35Å; L118-V122 PolarHBondContact O-N 3.44Å; L118-V127 HydrophobicContact CB-CG2 4.04Å; L118-V127 HydrophobicContact CD2-CG2 3.59Å; L118-V127 HydrophobicContact CG-CG2 4.41Å
119	N	98.5	Very high	98.3	Very high	57 Å²	57	44 Å²	44	31%	0.305	23%	0.226	S	C	.	.	H	α-helix	trans	-65.2	-30.7	176.2	-68.5	-21	0	0	0	111.7	A115 C125 V127	A115-N119 WeakPolarHBondContact O-CB 3Å; A115-N119 VanDerWaalsContact O-CG 3.25Å; A115-N119 PolarHBondContact O-N 3.21Å; A115-N119 PolarHBondContact O-ND2 2.91Å; N119-C125 VanDerWaalsContact OD1-C 3.31Å; N119-C125 PolarHBondContact OD1-O 2.89Å; N119-V127 PolarHBondContact ND2-O 3.18Å; N119-V127 WeakPolarHBondContact OD1-CB 3.36Å; N119-V127 PolarHBondContact OD1-N 3.49Å
120	D	98.4	Very high	98.3	Very high	122 Å²	122	44.4 Å²	44.4	65%	0.652	23%	0.226	S	C	*	.	H	α-helix	trans	-73.1	-48.9	170.2	176.5	74.7	0	0	0	112	E116 L118	E116-D120 WeakPolarHBondContact O-CB 3.21Å; E116-D120 PolarHBondContact O-N 3.14Å; E116-D120 VanDerWaalsContact O-N 3.16Å; L118-D120 VanDerWaalsContact C-N 3.26Å; L118-D120 PolarHBondContact O-N 3.24Å
121	R	98.3	Very high	98.3	Very high	153 Å²	153	48.8 Å²	48.8	58%	0.577	25%	0.245	S	C	*	.	H	α-helix	trans	-71.6	-34.8	-172.4	-176.1	58.2	58.5	-163.5	-7.9	113.3	F117 L118	F117-R121 HydrophobicContact CD1-CB 4.14Å; F117-R121 HydrophobicContact CE1-CB 4Å; F117-R121 HydrophobicContact CE1-CG 4.17Å; F117-R121 WeakPolarHBondContact O-CB 3.32Å; F117-R121 PolarHBondContact O-N 2.72Å; L118-R121 PolarHBondContact O-N 3.35Å
122	V	97.7	Very high	98.3	Very high	11 Å²	11	51.5 Å²	51.5	7%	0.067	26%	0.26	C	S	.	.	S	Bend	trans	-117.2	102.7	-175.4	-174.8	0	0	0	0	108.9	A75 L76 L118 N124 C125	A75-V122 HydrophobicContact CB-CB 4.37Å; A75-V122 HydrophobicContact CB-CG1 4.17Å; A75-V122 HydrophobicContact CB-CG2 4.17Å; L76-V122 HydrophobicContact CD2-CG1 4.48Å; L76-V122 HydrophobicContact CD2-CG2 4.29Å; L118-V122 PolarHBondContact O-N 3.44Å; V122-N124 PolarHBondContact O-N 3.19Å; V122-C125 HydrophobicContact CB-CB 4.07Å; V122-C125 HydrophobicContact CG1-CB 4.22Å; V122-C125 WeakPolarHBondContact O-CB 3.42Å; V122-C125 PolarHBondContact O-N 3.48Å; V122-C125 VanDerWaalsContact O-N 3.08Å
123	P	96.6	Very high	98.2	Very high	55 Å²	55	52.7 Å²	52.7	36%	0.357	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	139.4	-175.4	-30.2	37.9	0	0	0	113.2	W20 R23 C125	W20-P123 HydrophobicContact CH2-CG 4.36Å; W20-P123 HydrophobicContact CZ3-CB 4.26Å; W20-P123 HydrophobicContact CZ3-CG 3.94Å; R23-P123 VanDerWaalsContact CZ-O 3.31Å; R23-P123 PolarHBondContact NH1-O 2.78Å; R23-P123 PolarHBondContact NH2-O 3.33Å; P123-C125 PolarHBondContact O-N 3.36Å; P123-C125 VanDerWaalsContact O-N 3.15Å
124	N	96.4	Very high	98.2	Very high	71 Å²	71	52.9 Å²	52.9	38%	0.38	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.8	10.7	-177.7	-45.1	-33.5	0	0	0	115	T17 G18 R80 V122	T17-N124 PolarHBondContact O-ND2 3.01Å; G18-N124 VanDerWaalsContact C-ND2 3.34Å; G18-N124 WeakPolarHBondContact CA-ND2 3.25Å; G18-N124 PolarHBondContact O-ND2 2.71Å; G18-N124 VanDerWaalsContact O-ND2 3.16Å; R80-N124 WeakPolarHBondContact CD-O 3.48Å; R80-N124 VanDerWaalsContact CG-O 3.3Å; R80-N124 WeakPolarHBondContact CG-O 3.23Å; R80-N124 PolarHBondContact NE-O 2.88Å; V122-N124 PolarHBondContact O-N 3.19Å
125	C	96.8	Very high	98	Very high	13 Å²	13	56.8 Å²	56.8	9%	0.088	28%	0.283	C	S	.	.			trans	-67	141.3	164.4	-156.5	0	0	0	0	108.5	N119 V122 P123	N119-C125 VanDerWaalsContact OD1-C 3.31Å; N119-C125 PolarHBondContact OD1-O 2.89Å; V122-C125 HydrophobicContact CB-CB 4.07Å; V122-C125 HydrophobicContact CG1-CB 4.22Å; V122-C125 WeakPolarHBondContact O-CB 3.42Å; V122-C125 PolarHBondContact O-N 3.48Å; V122-C125 VanDerWaalsContact O-N 3.08Å; P123-C125 PolarHBondContact O-N 3.36Å; P123-C125 VanDerWaalsContact O-N 3.15Å
126	N	98.3	Very high	98	Very high	71 Å²	71	61.2 Å²	61.2	38%	0.38	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	67.9	179.5	-177.5	33.8	0	0	0	109.1	R80 Q81 I82 V128	R80-N126 CarbonylContact O-C 3.5Å; R80-N126 VanDerWaalsContact O-C 3.24Å; R80-N126 WeakPolarHBondContact O-CA 3.34Å; R80-N126 WeakPolarHBondContact O-CB 3.32Å; R80-N126 PolarHBondContact O-N 3.35Å; Q81-N126 PolarHBondContact OE1-ND2 3.5Å; I82-N126 PolarHBondContact N-O 3.13Å; I82-N126 VanDerWaalsContact O-O 3.11Å; N126-V128 PolarHBondContact O-N 2.9Å
127	V	98.8	Very high	97.9	Very high	3 Å²	3	58.4 Å²	58.4	2%	0.018	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	119.2	174.3	-171.4	0	0	0	0	109.5	L71 I82 V84 A115 L118 N119	L71-V127 HydrophobicContact CD2-CG1 4.07Å; I82-V127 HydrophobicContact CB-CG2 4.3Å; I82-V127 CarbonylContact O-C 3.48Å; I82-V127 VanDerWaalsContact O-CA 3.23Å; I82-V127 WeakPolarHBondContact O-CA 3.25Å; V84-V127 HydrophobicContact CB-CG1 4.47Å; V84-V127 HydrophobicContact CG1-CG1 3.82Å; A115-V127 HydrophobicContact CB-CB 3.97Å; A115-V127 HydrophobicContact CB-CG1 3.68Å; L118-V127 HydrophobicContact CB-CG2 4.04Å; L118-V127 HydrophobicContact CD2-CG2 3.59Å; L118-V127 HydrophobicContact CG-CG2 4.41Å; N119-V127 PolarHBondContact ND2-O 3.18Å; N119-V127 WeakPolarHBondContact OD1-CB 3.36Å; N119-V127 PolarHBondContact OD1-N 3.49Å
128	V	98.8	Very high	97.7	Very high	45 Å²	45	60.9 Å²	60.9	27%	0.273	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	114.9	176.4	-176.5	0	0	0	0	109.8	I82 H83 V84 N126 H130	I82-V128 PolarHBondContact O-N 2.85Å; H83-V128 WeakPolarHBondContact CA-O 3.27Å; V84-V128 PolarHBondContact N-O 2.85Å; N126-V128 PolarHBondContact O-N 2.9Å; V128-H130 PolarHBondContact O-CD2 2.56Å
129	P	98.8	Very high	97.6	Very high	54 Å²	54	63.8 Å²	63.8	35%	0.351	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	146.2	-179.6	33.4	-34.4	0	0	0	112.6	V84 A111 A115	V84-P129 HydrophobicContact CG1-CB 4.33Å; V84-P129 CarbonylContact O-C 3.52Å; A111-P129 HydrophobicContact CB-CB 4.11Å; A111-P129 WeakPolarHBondContact O-CB 3.41Å; A115-P129 HydrophobicContact CB-CB 3.83Å; A115-P129 HydrophobicContact CB-CG 3.89Å
130	H	98.8	Very high	97.5	Very high	31 Å²	31	65.9 Å²	65.9	14%	0.144	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	103	173.2	-62.2	-85.5	0	0	0	108.5	H83 V84 I85 D86 V128 N132 F137	H83-H130 AromaticContact CE1-NE2 3.86Å; H83-H130 AromaticContact CG-NE2 3.76Å; H83-H130 AromaticContact ND1-CD2 3.94Å; H83-H130 AromaticContact ND1-CE1 3.84Å; H83-H130 AromaticContact ND1-NE2 3Å; H83-H130 PolarHBondContact ND1-NE2 3.05Å; V84-H130 WeakPolarHBondContact O-CB 3.47Å; V84-H130 PolarHBondContact O-N 3.03Å; I85-H130 WeakPolarHBondContact CA-O 3.44Å; I85-H130 HydrophobicContact CB-CB 4.41Å; I85-H130 HydrophobicContact CG1-CB 3.71Å; D86-H130 PolarHBondContact N-O 3.4Å; D86-H130 VanDerWaalsContact N-O 3.16Å; V128-H130 PolarHBondContact O-CD2 2.56Å; H130-N132 PolarHBondContact O-N 3.19Å; H130-F137 HydrophobicContact CB-CE2 4.32Å; H130-F137 HydrophobicContact CB-CZ 4.05Å; H130-F137 AromaticContact ND1-CZ 3.72Å
131	F	98.5	Very high	97.5	Very high	104 Å²	104	61.3 Å²	61.3	46%	0.456	31%	0.312	S	S	.	.			trans	-82.3	72.8	175.6	-178.6	-136.9	0	0	0	110.1	D86 M87 T89 P109	D86-F131 WeakPolarHBondContact O-CA 3.26Å; D86-F131 WeakPolarHBondContact O-CD2 3.46Å; M87-F131 VanDerWaalsContact O-CE2 3.24Å; M87-F131 WeakPolarHBondContact O-CE2 3.42Å; T89-F131 HydrophobicContact CG2-CZ 4.23Å; P109-F131 HydrophobicContact CB-CB 4.18Å; P109-F131 HydrophobicContact CB-CD1 4.09Å; P109-F131 HydrophobicContact CB-CD2 3.64Å; P109-F131 HydrophobicContact CB-CE1 4.39Å; P109-F131 HydrophobicContact CB-CE2 3.95Å; P109-F131 HydrophobicContact CB-CG 3.71Å; P109-F131 HydrophobicContact CB-CZ 4.33Å; P109-F131 HydrophobicContact CG-CD1 3.8Å; P109-F131 HydrophobicContact CG-CD2 4.21Å; P109-F131 HydrophobicContact CG-CE1 3.91Å; P109-F131 HydrophobicContact CG-CE2 4.29Å; P109-F131 HydrophobicContact CG-CG 3.97Å; P109-F131 HydrophobicContact CG-CZ 4.16Å
132	N	98.4	Very high	97.5	Very high	58 Å²	58	54 Å²	54	31%	0.31	29%	0.285	S	S	.	.	S	Bend	trans	-147.3	161.9	-168.5	-72.4	101.7	0	0	0	110.7	I85 D86 M87 H130 D136 F137	I85-N132 WeakPolarHBondContact CG2-O 3.42Å; D86-N132 CarbonylContact C-O 3.5Å; D86-N132 PolarHBondContact O-N 2.61Å; M87-N132 PolarHBondContact N-O 3.07Å; H130-N132 PolarHBondContact O-N 3.19Å; N132-D136 HydrophobicContact CB-CB 4.32Å; N132-D136 PolarHBondContact ND2-OD2 2.99Å; N132-F137 HydrophobicContact CB-CE2 3.53Å; N132-F137 HydrophobicContact CB-CZ 3.88Å
133	K	97.3	Very high	97.5	Very high	110 Å²	110	58.6 Å²	58.6	48%	0.478	30%	0.301	S	S	.	.			trans	-81.3	152.2	164.1	-52.9	-171.2	176.6	171.5	0	108.8	M87 Q135 D136	M87-K133 HydrophobicContact CB-CG 3.82Å; M87-K133 HydrophobicContact CG-CG 4.35Å; M87-K133 HydrophobicContact SD-CB 4.43Å; M87-K133 HydrophobicContact SD-CD 3.9Å; M87-K133 HydrophobicContact SD-CG 3.64Å; K133-Q135 PolarHBondContact O-N 2.94Å; K133-Q135 VanDerWaalsContact O-N 3.17Å; K133-D136 PolarHBondContact N-OD2 3.4Å; K133-D136 WeakPolarHBondContact O-CB 3.47Å; K133-D136 PolarHBondContact O-N 2.89Å
134	I	97.9	Very high	97.6	Very high	8 Å²	8	59.4 Å²	59.4	4%	0.041	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-58.7	-30.7	174.1	60.3	178.8	0	0	0	111.9	I61 I85 D136 F137 Y142 A157 W160 I161	I61-I134 HydrophobicContact CD1-CG2 4.25Å; I61-I134 HydrophobicContact CG2-CG2 3.38Å; I85-I134 HydrophobicContact CG2-CG2 4.06Å; I134-D136 PolarHBondContact O-N 3.21Å; I134-F137 PolarHBondContact O-N 3.25Å; I134-Y142 VanDerWaalsContact C-OH 3.3Å; I134-Y142 VanDerWaalsContact CA-OH 3.3Å; I134-Y142 WeakPolarHBondContact CA-OH 3.48Å; I134-Y142 WeakPolarHBondContact CB-OH 3.29Å; I134-Y142 PolarHBondContact O-OH 3.42Å; I134-A157 HydrophobicContact CD1-CB 3.83Å; I134-A157 WeakPolarHBondContact CD1-O 3.45Å; I134-W160 HydrophobicContact CB-CE3 4.23Å; I134-W160 HydrophobicContact CB-CZ3 4.11Å; I134-W160 HydrophobicContact CD1-CB 4.46Å; I134-W160 HydrophobicContact CD1-CD2 4.43Å; I134-W160 HydrophobicContact CD1-CE3 3.77Å; I134-W160 HydrophobicContact CD1-CZ3 4.48Å; I134-W160 HydrophobicContact CG1-CD2 4.46Å; I134-W160 HydrophobicContact CG1-CE3 3.81Å; I134-W160 HydrophobicContact CG1-CZ3 4.17Å; I134-W160 WeakPolarHBondContact O-CH2 3.26Å; I134-W160 VanDerWaalsContact O-CZ3 3.31Å; I134-W160 WeakPolarHBondContact O-CZ3 3.44Å; I134-I161 HydrophobicContact CD1-CB 4.39Å
135	Q	95.9	Very high	97.7	Very high	82 Å²	82	56.2 Å²	56.2	38%	0.383	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-71	-13.2	178.9	-62	81.8	3.3	0	0	113.8	K133 F137 W160	K133-Q135 PolarHBondContact O-N 2.94Å; K133-Q135 VanDerWaalsContact O-N 3.17Å; Q135-F137 PolarHBondContact O-N 3.12Å; Q135-W160 HydrophobicContact CB-CZ2 4.26Å; Q135-W160 HydrophobicContact CG-CD2 3.95Å; Q135-W160 HydrophobicContact CG-CG 4.14Å; Q135-W160 HydrophobicContact CG-CZ2 4.17Å
136	D	97.3	Very high	97.8	Very high	96 Å²	96	60.1 Å²	60.1	51%	0.513	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-75.8	-14.7	178.6	-58.9	-19.2	0	0	0	111.8	N132 K133 I134	N132-D136 HydrophobicContact CB-CB 4.32Å; N132-D136 PolarHBondContact ND2-OD2 2.99Å; K133-D136 PolarHBondContact N-OD2 3.4Å; K133-D136 WeakPolarHBondContact O-CB 3.47Å; K133-D136 PolarHBondContact O-N 2.89Å; I134-D136 PolarHBondContact O-N 3.21Å
137	F	97.9	Very high	97.8	Very high	40 Å²	40	56.9 Å²	56.9	18%	0.175	28%	0.282	C	S	.	.			trans	-107.4	152.2	179.7	-60	-76.3	0	0	0	111.6	I85 H130 N132 I134 Q135 F141 Y142	I85-F137 HydrophobicContact CD1-CD2 3.93Å; I85-F137 HydrophobicContact CD1-CE2 3.84Å; I85-F137 HydrophobicContact CG1-CE2 4.08Å; H130-F137 HydrophobicContact CB-CE2 4.32Å; H130-F137 HydrophobicContact CB-CZ 4.05Å; H130-F137 AromaticContact ND1-CZ 3.72Å; N132-F137 HydrophobicContact CB-CE2 3.53Å; N132-F137 HydrophobicContact CB-CZ 3.88Å; I134-F137 PolarHBondContact O-N 3.25Å; Q135-F137 PolarHBondContact O-N 3.12Å; F137-F141 HydrophobicContact CB-CB 3.9Å; F137-F141 HydrophobicContact CB-CD1 3.59Å; F137-F141 HydrophobicContact CB-CE1 4.29Å; F137-F141 HydrophobicContact CB-CG 3.8Å; F137-F141 HydrophobicContact CD1-CB 4.01Å; F137-F141 AromaticContact CD1-CD1 3.86Å; F137-F141 HydrophobicContact CD1-CD1 3.86Å; F137-F141 AromaticContact CD1-CD2 3.49Å; F137-F141 HydrophobicContact CD1-CD2 3.49Å; F137-F141 VanDerWaalsContact CD1-CD2 3.49Å; F137-F141 HydrophobicContact CD1-CE1 4.2Å; F137-F141 AromaticContact CD1-CE2 3.85Å; F137-F141 HydrophobicContact CD1-CE2 3.85Å; F137-F141 AromaticContact CD1-CG 3.5Å; F137-F141 HydrophobicContact CD1-CG 3.5Å; F137-F141 VanDerWaalsContact CD1-CG 3.5Å; F137-F141 HydrophobicContact CD1-CZ 4.19Å; F137-F141 HydrophobicContact CD2-CD1 4.27Å; F137-F141 HydrophobicContact CD2-CE1 4.14Å; F137-F141 HydrophobicContact CD2-CZ 4.44Å; F137-F141 AromaticContact CE1-CD2 3.8Å; F137-F141 HydrophobicContact CE1-CD2 3.8Å; F137-F141 AromaticContact CE1-CE2 3.75Å; F137-F141 HydrophobicContact CE1-CE2 3.75Å; F137-F141 HydrophobicContact CE1-CG 4.26Å; F137-F141 HydrophobicContact CE1-CZ 4.17Å; F137-F141 HydrophobicContact CE2-CZ 4.41Å; F137-F141 HydrophobicContact CG-CB 4.3Å; F137-F141 AromaticContact CG-CD1 3.65Å; F137-F141 HydrophobicContact CG-CD1 3.65Å; F137-F141 HydrophobicContact CG-CD2 4.16Å; F137-F141 AromaticContact CG-CE1 3.95Å; F137-F141 HydrophobicContact CG-CE1 3.95Å; F137-F141 HydrophobicContact CG-CE2 4.42Å; F137-F141 AromaticContact CG-CG 3.77Å; F137-F141 HydrophobicContact CG-CG 3.77Å; F137-F141 HydrophobicContact CG-CZ 4.32Å; F137-F141 HydrophobicContact CZ-CE2 4.24Å; F137-F141 HydrophobicContact CZ-CZ 4.28Å; F137-Y142 HydrophobicContact CB-CD2 4.47Å; F137-Y142 HydrophobicContact CB-CE2 3.67Å
138	N	95.2	Very high	97.8	Very high	91 Å²	91	56.8 Å²	56.8	49%	0.487	28%	0.281	S	S	.	.			trans	-110.6	-177.1	176.7	65.3	19.4	0	0	0	111.7	T140 F141 Y142	N138-T140 PolarHBondContact O-N 2.95Å; N138-T140 WeakPolarHBondContact OD1-CB 3.32Å; N138-T140 PolarHBondContact OD1-N 2.71Å; N138-T140 VanDerWaalsContact OD1-N 3.16Å; N138-F141 WeakPolarHBondContact O-CB 3.21Å; N138-F141 PolarHBondContact O-N 3.43Å; N138-F141 VanDerWaalsContact O-N 3.07Å; N138-Y142 WeakPolarHBondContact O-CD2 3.42Å; N138-Y142 PolarHBondContact O-N 3.32Å
139	D	94.8	Very high	97.8	Very high	65 Å²	65	54.6 Å²	54.6	35%	0.348	27%	0.268	S	S	.	.	H	α-helix	trans	-50.4	-39.2	179	64.8	-51.3	0	0	0	113.8	F141 Y142 R143 M164 L168	D139-F141 VanDerWaalsContact C-N 3.28Å; D139-F141 PolarHBondContact O-N 3.12Å; D139-Y142 PolarHBondContact O-N 2.96Å; D139-R143 WeakPolarHBondContact O-CB 3.34Å; D139-R143 PolarHBondContact O-N 3.05Å; D139-M164 HydrophobicContact CB-SD 4.07Å; D139-L168 HydrophobicContact CB-CD2 3.55Å
140	T	97	Very high	97.8	Very high	100 Å²	100	52 Å²	52	61%	0.613	25%	0.251	S	S	*	.	H	α-helix	trans	-60.2	-40	179.7	-59.9	0	0	0	0	111.5	N138	N138-T140 PolarHBondContact O-N 2.95Å; N138-T140 WeakPolarHBondContact OD1-CB 3.32Å; N138-T140 PolarHBondContact OD1-N 2.71Å; N138-T140 VanDerWaalsContact OD1-N 3.16Å
141	F	98.6	Very high	97.7	Very high	26 Å²	26	51 Å²	51	11%	0.114	25%	0.249	C	C	.	.	H	α-helix	trans	-68.9	-44.2	176.6	172.4	-91.5	0	0	0	111.6	L59 I85 F137 N138 D139 Q144 F145	L59-F141 HydrophobicContact CD2-CE1 4.07Å; I85-F141 HydrophobicContact CD1-CE1 3.7Å; I85-F141 HydrophobicContact CD1-CZ 3.97Å; F137-F141 HydrophobicContact CB-CB 3.9Å; F137-F141 HydrophobicContact CB-CD1 3.59Å; F137-F141 HydrophobicContact CB-CE1 4.29Å; F137-F141 HydrophobicContact CB-CG 3.8Å; F137-F141 HydrophobicContact CD1-CB 4.01Å; F137-F141 AromaticContact CD1-CD1 3.86Å; F137-F141 HydrophobicContact CD1-CD1 3.86Å; F137-F141 AromaticContact CD1-CD2 3.49Å; F137-F141 HydrophobicContact CD1-CD2 3.49Å; F137-F141 VanDerWaalsContact CD1-CD2 3.49Å; F137-F141 HydrophobicContact CD1-CE1 4.2Å; F137-F141 AromaticContact CD1-CE2 3.85Å; F137-F141 HydrophobicContact CD1-CE2 3.85Å; F137-F141 AromaticContact CD1-CG 3.5Å; F137-F141 HydrophobicContact CD1-CG 3.5Å; F137-F141 VanDerWaalsContact CD1-CG 3.5Å; F137-F141 HydrophobicContact CD1-CZ 4.19Å; F137-F141 HydrophobicContact CD2-CD1 4.27Å; F137-F141 HydrophobicContact CD2-CE1 4.14Å; F137-F141 HydrophobicContact CD2-CZ 4.44Å; F137-F141 AromaticContact CE1-CD2 3.8Å; F137-F141 HydrophobicContact CE1-CD2 3.8Å; F137-F141 AromaticContact CE1-CE2 3.75Å; F137-F141 HydrophobicContact CE1-CE2 3.75Å; F137-F141 HydrophobicContact CE1-CG 4.26Å; F137-F141 HydrophobicContact CE1-CZ 4.17Å; F137-F141 HydrophobicContact CE2-CZ 4.41Å; F137-F141 HydrophobicContact CG-CB 4.3Å; F137-F141 AromaticContact CG-CD1 3.65Å; F137-F141 HydrophobicContact CG-CD1 3.65Å; F137-F141 HydrophobicContact CG-CD2 4.16Å; F137-F141 AromaticContact CG-CE1 3.95Å; F137-F141 HydrophobicContact CG-CE1 3.95Å; F137-F141 HydrophobicContact CG-CE2 4.42Å; F137-F141 AromaticContact CG-CG 3.77Å; F137-F141 HydrophobicContact CG-CG 3.77Å; F137-F141 HydrophobicContact CG-CZ 4.32Å; F137-F141 HydrophobicContact CZ-CE2 4.24Å; F137-F141 HydrophobicContact CZ-CZ 4.28Å; N138-F141 WeakPolarHBondContact O-CB 3.21Å; N138-F141 PolarHBondContact O-N 3.43Å; N138-F141 VanDerWaalsContact O-N 3.07Å; D139-F141 VanDerWaalsContact C-N 3.28Å; D139-F141 PolarHBondContact O-N 3.12Å; F141-Q144 WeakPolarHBondContact O-CG 3.32Å; F141-Q144 PolarHBondContact O-N 3.43Å; F141-Q144 PolarHBondContact O-NE2 3.39Å; F141-F145 AromaticContact CD1-CE2 3.98Å; F141-F145 HydrophobicContact CD1-CE2 3.98Å; F141-F145 AromaticContact CE1-CE2 3.49Å; F141-F145 HydrophobicContact CE1-CE2 3.49Å; F141-F145 VanDerWaalsContact CE1-CE2 3.49Å; F141-F145 HydrophobicContact CE1-CZ 4.04Å; F141-F145 HydrophobicContact CE2-CE2 4.24Å; F141-F145 HydrophobicContact CE2-CZ 4.18Å; F141-F145 AromaticContact CZ-CE2 3.65Å; F141-F145 HydrophobicContact CZ-CE2 3.65Å; F141-F145 AromaticContact CZ-CZ 3.7Å; F141-F145 HydrophobicContact CZ-CZ 3.7Å; F141-F145 WeakPolarHBondContact O-CE2 3.3Å
142	Y	98.4	Very high	97.5	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-73.4	-29.1	-175.5	-68.1	-71.9	0	0	0	113.3	L59 I61 I85 I134 F137 N138 D139 Q144 F145 I148 W160 I161 M164	L59-Y142 HydrophobicContact CD2-CD1 3.92Å; L59-Y142 HydrophobicContact CD2-CE1 3.81Å; I61-Y142 HydrophobicContact CD1-CE1 4.42Å; I85-Y142 HydrophobicContact CD1-CE1 4.46Å; I134-Y142 VanDerWaalsContact C-OH 3.3Å; I134-Y142 VanDerWaalsContact CA-OH 3.3Å; I134-Y142 WeakPolarHBondContact CA-OH 3.48Å; I134-Y142 WeakPolarHBondContact CB-OH 3.29Å; I134-Y142 PolarHBondContact O-OH 3.42Å; F137-Y142 HydrophobicContact CB-CD2 4.47Å; F137-Y142 HydrophobicContact CB-CE2 3.67Å; N138-Y142 WeakPolarHBondContact O-CD2 3.42Å; N138-Y142 PolarHBondContact O-N 3.32Å; D139-Y142 PolarHBondContact O-N 2.96Å; Y142-Q144 PolarHBondContact O-N 3.42Å; Y142-F145 PolarHBondContact O-N 3.06Å; Y142-I148 HydrophobicContact CD1-CD1 3.88Å; Y142-W160 AromaticContact CE2-CH2 3.89Å; Y142-W160 HydrophobicContact CE2-CH2 3.89Å; Y142-W160 AromaticContact CE2-CZ3 3.85Å; Y142-W160 HydrophobicContact CE2-CZ3 3.85Å; Y142-W160 AromaticContact CZ-CZ3 3.95Å; Y142-I161 HydrophobicContact CD1-CD1 3.85Å; Y142-I161 HydrophobicContact CE1-CD1 3.5Å; Y142-I161 VanDerWaalsContact CE1-CD1 3.5Å; Y142-M164 HydrophobicContact CD2-CE 3.99Å; Y142-M164 HydrophobicContact CD2-CG 3.32Å; Y142-M164 HydrophobicContact CD2-SD 3.75Å; Y142-M164 HydrophobicContact CE2-CE 4.1Å; Y142-M164 HydrophobicContact CE2-CG 3.83Å; Y142-M164 HydrophobicContact CE2-SD 4.4Å; Y142-M164 HydrophobicContact CG-CG 3.78Å
143	R	97.8	Very high	97.2	Very high	108 Å²	108	50 Å²	50	41%	0.408	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-19.6	177.5	-166.9	178.8	-61.9	-78.6	2.9	113.7	D139 F145 L168	D139-R143 WeakPolarHBondContact O-CB 3.34Å; D139-R143 PolarHBondContact O-N 3.05Å; R143-F145 VanDerWaalsContact C-N 3.26Å; R143-F145 PolarHBondContact O-N 3.38Å; R143-L168 HydrophobicContact CB-CD1 4.48Å; R143-L168 PolarHBondContact NH1-O 3.14Å
144	Q	98.2	Very high	97	Very high	71 Å²	71	46.9 Å²	46.9	33%	0.332	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-12.9	-178	85.9	-170.7	-70.9	0	0	114.2	K57 F141 Y142	K57-Q144 WeakPolarHBondContact CD-O 3.49Å; F141-Q144 WeakPolarHBondContact O-CG 3.32Å; F141-Q144 PolarHBondContact O-N 3.43Å; F141-Q144 PolarHBondContact O-NE2 3.39Å; Y142-Q144 PolarHBondContact O-N 3.42Å
145	F	98.7	Very high	96.7	Very high	5 Å²	5	48.7 Å²	48.7	2%	0.022	25%	0.25	C	C	.	.			trans	-98.3	143.4	-175.4	-59.1	-72.9	0	0	0	111.1	K57 L59 H83 F141 Y142 R143 I148	K57-F145 HydrophobicContact CB-CD1 4.1Å; L59-F145 HydrophobicContact CB-CB 4.4Å; L59-F145 HydrophobicContact CB-CD1 3.7Å; L59-F145 HydrophobicContact CB-CD2 3.87Å; L59-F145 HydrophobicContact CB-CE1 3.88Å; L59-F145 HydrophobicContact CB-CE2 4.03Å; L59-F145 HydrophobicContact CB-CG 3.7Å; L59-F145 HydrophobicContact CB-CZ 4.04Å; L59-F145 HydrophobicContact CD1-CE1 4.43Å; L59-F145 HydrophobicContact CD1-CE2 4.34Å; L59-F145 HydrophobicContact CD1-CZ 4.05Å; L59-F145 HydrophobicContact CD2-CD2 3.95Å; L59-F145 HydrophobicContact CD2-CE2 3.79Å; L59-F145 HydrophobicContact CD2-CZ 4.33Å; L59-F145 HydrophobicContact CG-CD2 4.46Å; L59-F145 HydrophobicContact CG-CE2 4.28Å; L59-F145 HydrophobicContact CG-CZ 4.36Å; H83-F145 HydrophobicContact CB-CE1 3.65Å; H83-F145 HydrophobicContact CB-CZ 3.89Å; H83-F145 AromaticContact CD2-CE1 3.86Å; H83-F145 AromaticContact CG-CE1 3.5Å; H83-F145 AromaticContact CG-CZ 3.79Å; H83-F145 AromaticContact ND1-CE1 3.78Å; H83-F145 AromaticContact ND1-CZ 3.67Å; F141-F145 AromaticContact CD1-CE2 3.98Å; F141-F145 HydrophobicContact CD1-CE2 3.98Å; F141-F145 AromaticContact CE1-CE2 3.49Å; F141-F145 HydrophobicContact CE1-CE2 3.49Å; F141-F145 VanDerWaalsContact CE1-CE2 3.49Å; F141-F145 HydrophobicContact CE1-CZ 4.04Å; F141-F145 HydrophobicContact CE2-CE2 4.24Å; F141-F145 HydrophobicContact CE2-CZ 4.18Å; F141-F145 AromaticContact CZ-CE2 3.65Å; F141-F145 HydrophobicContact CZ-CE2 3.65Å; F141-F145 AromaticContact CZ-CZ 3.7Å; F141-F145 HydrophobicContact CZ-CZ 3.7Å; F141-F145 WeakPolarHBondContact O-CE2 3.3Å; Y142-F145 PolarHBondContact O-N 3.06Å; R143-F145 VanDerWaalsContact C-N 3.26Å; R143-F145 PolarHBondContact O-N 3.38Å; F145-I148 HydrophobicContact CB-CG1 4.27Å
146	H	98.6	Very high	96.6	Very high	94 Å²	94	48 Å²	48	44%	0.435	25%	0.248	S	C	.	.	S	Bend	trans	-80.3	-35.8	173.7	-57.9	93.8	0	0	0	111.1	T55 K57 P183	T55-H146 PolarHBondContact O-CE1 3.39Å; K57-H146 PolarHBondContact N-ND1 3.05Å; K57-H146 PolarHBondContact O-N 3.29Å; H146-P183 WeakPolarHBondContact O-CD 3.24Å
147	I	98.8	Very high	96.5	Very high	4 Å²	4	44 Å²	44	2%	0.021	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	140.6	-178	-53.2	171.9	0	0	0	108.9	V58 L59 P183 I185 V314 I317 A318	V58-I147 WeakPolarHBondContact CA-O 3.39Å; V58-I147 HydrophobicContact CG2-CB 4.48Å; L59-I147 PolarHBondContact N-O 3.24Å; I147-P183 HydrophobicContact CG2-CB 4.44Å; I147-I185 HydrophobicContact CG2-CD1 4.3Å; I147-I185 HydrophobicContact CG2-CG1 4.43Å; I147-V314 HydrophobicContact CB-CG1 4.42Å; I147-V314 HydrophobicContact CD1-CG1 3.86Å; I147-V314 HydrophobicContact CG2-CG1 4.12Å; I147-V314 HydrophobicContact CG2-CG2 4.22Å; I147-I317 HydrophobicContact CD1-CB 3.94Å; I147-I317 HydrophobicContact CD1-CG2 3.62Å; I147-I317 HydrophobicContact CG1-CG2 3.99Å; I147-A318 HydrophobicContact CD1-CB 3.73Å
148	I	98.9	Very high	96.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	133.9	172.7	-57.4	-172.7	0	0	0	109.3	L59 I61 Y142 F145 L165 V182 P183 L184 I185	L59-I148 HydrophobicContact CB-CG1 4.15Å; L59-I148 HydrophobicContact CB-CG2 4.45Å; L59-I148 HydrophobicContact CD2-CD1 4.09Å; L59-I148 HydrophobicContact CD2-CG1 4.35Å; L59-I148 HydrophobicContact CD2-CG2 4.27Å; L59-I148 HydrophobicContact CG-CG2 4.45Å; L59-I148 CarbonylContact O-C 3.55Å; L59-I148 WeakPolarHBondContact O-CA 3.48Å; I61-I148 HydrophobicContact CD1-CG2 3.56Å; I61-I148 HydrophobicContact CG1-CG2 3.99Å; Y142-I148 HydrophobicContact CD1-CD1 3.88Å; F145-I148 HydrophobicContact CB-CG1 4.27Å; I148-L165 HydrophobicContact CB-CD1 4.48Å; I148-L165 HydrophobicContact CD1-CD1 4.08Å; I148-L165 HydrophobicContact CD1-CD2 3.41Å; I148-L165 VanDerWaalsContact CD1-CD2 3.41Å; I148-L165 HydrophobicContact CD1-CG 4.27Å; I148-L165 HydrophobicContact CG1-CD2 4.47Å; I148-V182 HydrophobicContact CD1-CG1 4.13Å; I148-V182 HydrophobicContact CG1-CG1 3.87Å; I148-P183 PolarHBondContact N-O 3.02Å; I148-L184 HydrophobicContact CB-CD1 4.31Å; I148-L184 HydrophobicContact CG2-CD1 4.06Å; I148-L184 CarbonylContact O-C 3.56Å; I148-L184 WeakPolarHBondContact O-CA 3.12Å; I148-I185 PolarHBondContact O-N 3.26Å
149	V	98.8	Very high	96.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	133.1	175.7	65	0	0	0	0	111.5	V58 L59 V60 I61 L70 L74 I185 C310 V314	V58-V149 HydrophobicContact CG1-CG1 4.41Å; L59-V149 PolarHBondContact O-N 3.42Å; V60-V149 CarbonylContact C-O 3.57Å; V60-V149 WeakPolarHBondContact CA-O 3.49Å; V60-V149 HydrophobicContact CB-CG1 4.27Å; V60-V149 HydrophobicContact CG1-CG1 4.43Å; V60-V149 HydrophobicContact CG2-CG1 3.75Å; I61-V149 PolarHBondContact N-O 3.19Å; L70-V149 HydrophobicContact CD1-CB 4.45Å; L70-V149 HydrophobicContact CD1-CG1 4.06Å; L70-V149 HydrophobicContact CD1-CG2 3.64Å; L70-V149 HydrophobicContact CD2-CG1 4.45Å; L70-V149 HydrophobicContact CD2-CG2 3.63Å; L70-V149 HydrophobicContact CG-CG2 4.28Å; L74-V149 HydrophobicContact CD1-CG1 4.13Å; V149-I185 CarbonylContact C-O 3.13Å; V149-I185 WeakPolarHBondContact CA-O 3.4Å; V149-I185 HydrophobicContact CB-CB 4.35Å; V149-I185 HydrophobicContact CG2-CB 4.04Å; V149-I185 HydrophobicContact CG2-CG2 4.2Å; V149-C310 HydrophobicContact CG2-CB 4.06Å; V149-V314 HydrophobicContact CB-CG2 4.05Å; V149-V314 HydrophobicContact CG1-CG2 4.43Å; V149-V314 HydrophobicContact CG2-CG2 4.29Å
150	C	98.1	Very high	96.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	133.8	-172.4	-70	0	0	0	0	112.4	L152 L184 I185 D186 G187	C150-L152 HydrophobicContact CB-CD1 4.21Å; C150-L152 HydrophobicContact CB-CG 4.3Å; C150-L184 VanDerWaalsContact SG-CD1 3.6Å; C150-I185 PolarHBondContact N-O 2.89Å; C150-D186 HydrophobicContact CB-CB 4.24Å; C150-D186 WeakPolarHBondContact CB-OD1 3.47Å; C150-G187 PolarHBondContact O-N 3.02Å
151	G	96.1	Very high	96.8	Very high	10 Å²	10	32.4 Å²	32.4	10%	0.103	16%	0.16	C	C	.	.			trans	-123.1	46.1	165.3	0	0	0	0	0	111.1	I61	I61-G151 PolarHBondContact O-N 3.14Å
152	L	95	Very high	96.8	Very high	22 Å²	22	31.2 Å²	31.2	12%	0.115	16%	0.155	C	C	.	.			trans	-73.2	157.4	-175.9	-72.2	167.6	0	0	0	112.1	I61 C150 A157 R158 I161	I61-L152 HydrophobicContact CG2-CD1 4.18Å; I61-L152 HydrophobicContact CG2-CD2 3.56Å; I61-L152 HydrophobicContact CG2-CG 3.92Å; C150-L152 HydrophobicContact CB-CD1 4.21Å; C150-L152 HydrophobicContact CB-CG 4.3Å; L152-A157 HydrophobicContact CD1-CB 3.83Å; L152-A157 HydrophobicContact CD2-CB 3.82Å; L152-A157 HydrophobicContact CG-CB 4.28Å; L152-R158 HydrophobicContact CB-CG 4.03Å; L152-R158 HydrophobicContact CD1-CG 3.88Å; L152-R158 PolarHBondContact O-NH1 2.99Å; L152-R158 PolarHBondContact O-NH2 3.35Å; L152-I161 HydrophobicContact CD1-CG2 4.19Å
153	D	91.6	Very high	96.7	Very high	119 Å²	119	31.2 Å²	31.2	64%	0.636	16%	0.155	S	C	*	.	S	Bend	trans	-110.2	-4	-179.4	66.9	-14.8	0	0	0	113.4
154	S	92.4	Very high	96.7	Very high	44 Å²	44	26.5 Å²	26.5	31%	0.308	14%	0.138	S	C	.	.			trans	-125.4	146.8	178.8	76.2	0	0	0	0	113	I156 A157 R158	S154-I156 VanDerWaalsContact C-N 3.34Å; S154-A157 WeakPolarHBondContact OG-CB 3.29Å; S154-A157 PolarHBondContact OG-N 2.88Å; S154-R158 PolarHBondContact O-N 2.76Å; S154-R158 PolarHBondContact O-NH1 3.24Å
155	I	92.9	Very high	96.7	Very high	46 Å²	46	23.1 Å²	23.1	24%	0.236	12%	0.122	C	C	.	.	H	α-helix	trans	-65.6	-41.7	174.4	-61.7	174.8	0	0	0	109.7	A157 R158 R159 L211 Y214	I155-A157 PolarHBondContact O-N 3.09Å; I155-R158 WeakPolarHBondContact O-CB 3.32Å; I155-R158 PolarHBondContact O-N 3.37Å; I155-R158 VanDerWaalsContact O-N 3.14Å; I155-R159 HydrophobicContact CG2-CG 4.12Å; I155-R159 VanDerWaalsContact O-CG 3.32Å; I155-R159 WeakPolarHBondContact O-CG 3.19Å; I155-R159 PolarHBondContact O-N 3.45Å; I155-L211 HydrophobicContact CG2-CD1 3.96Å; I155-Y214 HydrophobicContact CD1-CD1 3.61Å; I155-Y214 HydrophobicContact CD1-CD2 4.07Å; I155-Y214 HydrophobicContact CD1-CE1 4.12Å; I155-Y214 HydrophobicContact CD1-CG 3.58Å; I155-Y214 HydrophobicContact CG1-CD1 3.77Å; I155-Y214 HydrophobicContact CG1-CD2 4.34Å; I155-Y214 HydrophobicContact CG1-CE1 3.73Å; I155-Y214 HydrophobicContact CG1-CE2 4.31Å; I155-Y214 HydrophobicContact CG1-CG 4.08Å; I155-Y214 HydrophobicContact CG2-CD2 4.14Å; I155-Y214 HydrophobicContact CG2-CE2 3.88Å
156	I	93.6	Very high	96.6	Very high	68 Å²	68	23.4 Å²	23.4	35%	0.349	12%	0.123	S	C	.	.	H	α-helix	trans	-59.1	-45.3	-178.4	-64.2	163.9	0	0	0	111.1	S154 R158 R159 W160 K384	S154-I156 VanDerWaalsContact C-N 3.34Å; I156-R158 VanDerWaalsContact C-N 3.32Å; I156-R158 PolarHBondContact O-N 2.92Å; I156-R159 PolarHBondContact O-N 2.99Å; I156-W160 WeakPolarHBondContact O-CB 3.29Å; I156-W160 PolarHBondContact O-N 3.39Å; I156-K384 HydrophobicContact CD1-CG 4.44Å
157	A	95.9	Very high	96.4	Very high	10 Å²	10	21.5 Å²	21.5	8%	0.083	12%	0.121	C	C	.	.	H	α-helix	trans	-62.2	-40.1	178.2	0	0	0	0	0	112	I134 L152 S154 I155 W160 I161	I134-A157 HydrophobicContact CD1-CB 3.83Å; I134-A157 WeakPolarHBondContact CD1-O 3.45Å; L152-A157 HydrophobicContact CD1-CB 3.83Å; L152-A157 HydrophobicContact CD2-CB 3.82Å; L152-A157 HydrophobicContact CG-CB 4.28Å; S154-A157 WeakPolarHBondContact OG-CB 3.29Å; S154-A157 PolarHBondContact OG-N 2.88Å; I155-A157 PolarHBondContact O-N 3.09Å; A157-W160 PolarHBondContact O-N 3.14Å; A157-I161 WeakPolarHBondContact O-CG2 3.49Å; A157-I161 PolarHBondContact O-N 2.87Å
158	R	97.9	Very high	96.3	Very high	16 Å²	16	21.3 Å²	21.3	6%	0.06	12%	0.12	C	C	.	.	H	α-helix	trans	-63.8	-42.6	175.6	-70	179.5	171.4	88.5	-4.7	112.5	L152 S154 I155 I156 W160 I161 N162 D186 G187 I207 Y214	L152-R158 HydrophobicContact CB-CG 4.03Å; L152-R158 HydrophobicContact CD1-CG 3.88Å; L152-R158 PolarHBondContact O-NH1 2.99Å; L152-R158 PolarHBondContact O-NH2 3.35Å; S154-R158 PolarHBondContact O-N 2.76Å; S154-R158 PolarHBondContact O-NH1 3.24Å; I155-R158 WeakPolarHBondContact O-CB 3.32Å; I155-R158 PolarHBondContact O-N 3.37Å; I155-R158 VanDerWaalsContact O-N 3.14Å; I156-R158 VanDerWaalsContact C-N 3.32Å; I156-R158 PolarHBondContact O-N 2.92Å; R158-W160 VanDerWaalsContact C-N 3.32Å; R158-I161 WeakPolarHBondContact O-CG2 3.48Å; R158-N162 WeakPolarHBondContact O-CB 3.46Å; R158-N162 PolarHBondContact O-N 3.38Å; R158-D186 WeakPolarHBondContact CD-OD1 3.46Å; R158-D186 WeakPolarHBondContact CG-OD1 3.39Å; R158-D186 IonicContact CZ-OD1 2.78Å; R158-D186 IonicContact NE-OD1 2.71Å; R158-D186 PolarHBondContact NE-OD1 2.89Å; R158-D186 IonicContact NE-OD2 2.72Å; R158-D186 PolarHBondContact NE-OD2 3.1Å; R158-G187 PolarHBondContact NH2-O 3.16Å; R158-I207 HydrophobicContact CB-CG2 4.34Å; R158-Y214 WeakPolarHBondContact CD-OH 3.36Å
159	R	97.1	Very high	96.1	Very high	13 Å²	13	22 Å²	22	5%	0.049	12%	0.124	C	C	.	.	H	α-helix	trans	-62.4	-41.3	175.1	-65.7	-177.6	72.8	-176	4.5	111.3	I155 I156 N162 G163 I207 E208 L211 L381 Q382 T436	I155-R159 HydrophobicContact CG2-CG 4.12Å; I155-R159 VanDerWaalsContact O-CG 3.32Å; I155-R159 WeakPolarHBondContact O-CG 3.19Å; I155-R159 PolarHBondContact O-N 3.45Å; I156-R159 PolarHBondContact O-N 2.99Å; R159-N162 WeakPolarHBondContact O-CB 3.49Å; R159-N162 PolarHBondContact O-N 3.23Å; R159-G163 PolarHBondContact O-N 3.19Å; R159-I207 HydrophobicContact CG-CG2 4.28Å; R159-E208 WeakPolarHBondContact CB-OE1 3.31Å; R159-E208 VanDerWaalsContact CG-OE1 3.24Å; R159-E208 WeakPolarHBondContact CG-OE1 3.19Å; R159-E208 IonicContact CZ-OE1 2.75Å; R159-E208 IonicContact CZ-OE2 2.73Å; R159-E208 IonicContact NE-OE1 3.86Å; R159-E208 PolarHBondContact NE-OE1 2.79Å; R159-E208 IonicContact NE-OE2 3.57Å; R159-E208 PolarHBondContact NE-OE2 2.66Å; R159-E208 IonicContact NH2-OE1 2.56Å; R159-E208 PolarHBondContact NH2-OE1 2.79Å; R159-E208 IonicContact NH2-OE2 3.88Å; R159-E208 PolarHBondContact NH2-OE2 3.42Å; R159-L211 HydrophobicContact CG-CD1 4.17Å; R159-L381 PolarHBondContact NH1-O 2.94Å; R159-L381 PolarHBondContact NH2-O 3.33Å; R159-Q382 PolarHBondContact NH1-O 3.5Å; R159-T436 CarbonylContact C-O 3.43Å; R159-T436 VanDerWaalsContact CB-O 3.26Å; R159-T436 WeakPolarHBondContact CB-O 3.29Å; R159-T436 VanDerWaalsContact NH1-CG2 3.32Å
160	W	97.8	Very high	95.8	Very high	23 Å²	23	25.7 Å²	25.7	9%	0.087	14%	0.143	C	C	.	.	H	α-helix	trans	-65.5	-51.5	-179.1	-170.2	96	0	0	0	111.8	I134 Q135 Y142 I156 A157 R158 N162 G163 M164 T436 P438	I134-W160 HydrophobicContact CB-CE3 4.23Å; I134-W160 HydrophobicContact CB-CZ3 4.11Å; I134-W160 HydrophobicContact CD1-CB 4.46Å; I134-W160 HydrophobicContact CD1-CD2 4.43Å; I134-W160 HydrophobicContact CD1-CE3 3.77Å; I134-W160 HydrophobicContact CD1-CZ3 4.48Å; I134-W160 HydrophobicContact CG1-CD2 4.46Å; I134-W160 HydrophobicContact CG1-CE3 3.81Å; I134-W160 HydrophobicContact CG1-CZ3 4.17Å; I134-W160 WeakPolarHBondContact O-CH2 3.26Å; I134-W160 VanDerWaalsContact O-CZ3 3.31Å; I134-W160 WeakPolarHBondContact O-CZ3 3.44Å; Q135-W160 HydrophobicContact CB-CZ2 4.26Å; Q135-W160 HydrophobicContact CG-CD2 3.95Å; Q135-W160 HydrophobicContact CG-CG 4.14Å; Q135-W160 HydrophobicContact CG-CZ2 4.17Å; Y142-W160 AromaticContact CE2-CH2 3.89Å; Y142-W160 HydrophobicContact CE2-CH2 3.89Å; Y142-W160 AromaticContact CE2-CZ3 3.85Å; Y142-W160 HydrophobicContact CE2-CZ3 3.85Å; Y142-W160 AromaticContact CZ-CZ3 3.95Å; I156-W160 WeakPolarHBondContact O-CB 3.29Å; I156-W160 PolarHBondContact O-N 3.39Å; A157-W160 PolarHBondContact O-N 3.14Å; R158-W160 VanDerWaalsContact C-N 3.32Å; W160-N162 VanDerWaalsContact C-N 3.26Å; W160-N162 PolarHBondContact O-N 3.16Å; W160-G163 PolarHBondContact O-N 2.99Å; W160-M164 HydrophobicContact CE3-CB 4.39Å; W160-M164 HydrophobicContact CH2-CB 4.44Å; W160-M164 HydrophobicContact CH2-CE 3.51Å; W160-M164 HydrophobicContact CH2-CG 4.49Å; W160-M164 HydrophobicContact CZ2-CE 3.94Å; W160-M164 HydrophobicContact CZ3-CB 4.06Å; W160-M164 HydrophobicContact CZ3-CE 4.25Å; W160-M164 HydrophobicContact CZ3-CG 4.31Å; W160-M164 PolarHBondContact O-N 3.07Å; W160-T436 VanDerWaalsContact CA-O 3.29Å; W160-T436 WeakPolarHBondContact CA-O 3.44Å; W160-T436 PolarHBondContact N-O 2.92Å; W160-P438 HydrophobicContact CD2-CG 4.28Å; W160-P438 HydrophobicContact CZ2-CB 3.96Å; W160-P438 HydrophobicContact CZ2-CG 4.2Å; W160-P438 WeakPolarHBondContact O-CD 3.38Å
161	I	98.3	Very high	95.5	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-64.9	-33.4	178.8	-169.8	65.3	0	0	0	111.8	I61 I134 Y142 L152 A157 R158 M164 L165	I61-I161 HydrophobicContact CD1-CD1 3.63Å; I61-I161 HydrophobicContact CD1-CG1 3.68Å; I134-I161 HydrophobicContact CD1-CB 4.39Å; Y142-I161 HydrophobicContact CD1-CD1 3.85Å; Y142-I161 HydrophobicContact CE1-CD1 3.5Å; Y142-I161 VanDerWaalsContact CE1-CD1 3.5Å; L152-I161 HydrophobicContact CD1-CG2 4.19Å; A157-I161 WeakPolarHBondContact O-CG2 3.49Å; A157-I161 PolarHBondContact O-N 2.87Å; R158-I161 WeakPolarHBondContact O-CG2 3.48Å; I161-M164 HydrophobicContact CD1-CB 4.33Å; I161-M164 HydrophobicContact CD1-CG 4.46Å; I161-M164 WeakPolarHBondContact O-CB 3.49Å; I161-M164 PolarHBondContact O-N 3.4Å; I161-L165 HydrophobicContact CG1-CD1 4.38Å; I161-L165 WeakPolarHBondContact O-CG 3.29Å; I161-L165 PolarHBondContact O-N 3.35Å
162	N	98	Very high	95.2	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-60.6	-47.8	173	172.6	84.2	0	0	0	112.3	R158 R159 W160 M164 L165 I166 C206 I207	R158-N162 WeakPolarHBondContact O-CB 3.46Å; R158-N162 PolarHBondContact O-N 3.38Å; R159-N162 WeakPolarHBondContact O-CB 3.49Å; R159-N162 PolarHBondContact O-N 3.23Å; W160-N162 VanDerWaalsContact C-N 3.26Å; W160-N162 PolarHBondContact O-N 3.16Å; N162-M164 VanDerWaalsContact C-N 3.32Å; N162-M164 PolarHBondContact O-N 3.32Å; N162-L165 PolarHBondContact O-N 2.94Å; N162-I166 WeakPolarHBondContact O-CD1 3.48Å; N162-I166 VanDerWaalsContact O-CG1 3.29Å; N162-I166 WeakPolarHBondContact O-CG1 3.4Å; N162-I166 PolarHBondContact O-N 3.31Å; N162-I166 VanDerWaalsContact O-N 3.07Å; N162-C206 VanDerWaalsContact OD1-CB 3.29Å; N162-C206 WeakPolarHBondContact OD1-CB 3.41Å; N162-I207 HydrophobicContact CB-CB 3.73Å; N162-I207 HydrophobicContact CB-CG1 3.52Å; N162-I207 PolarHBondContact OD1-N 3.21Å
163	G	96.2	Very high	94.9	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-63.3	-38.5	175.2	0	0	0	0	0	112.8	R159 W160 L165 I166 S167 T437	R159-G163 PolarHBondContact O-N 3.19Å; W160-G163 PolarHBondContact O-N 2.99Å; G163-L165 PolarHBondContact O-N 3.41Å; G163-I166 PolarHBondContact O-N 3.02Å; G163-S167 WeakPolarHBondContact O-CB 3.43Å; G163-S167 PolarHBondContact O-N 3.2Å; G163-T437 WeakPolarHBondContact CA-OG1 3.38Å
164	M	97.8	Very high	94.6	Very high	9 Å²	9	39.5 Å²	39.5	4%	0.044	22%	0.222	C	C	.	.	H	α-helix	trans	-56.7	-50.9	175.1	177.3	51	75.4	0	0	111.1	D139 Y142 W160 I161 N162 I166 S167 L168 P438	D139-M164 HydrophobicContact CB-SD 4.07Å; Y142-M164 HydrophobicContact CD2-CE 3.99Å; Y142-M164 HydrophobicContact CD2-CG 3.32Å; Y142-M164 HydrophobicContact CD2-SD 3.75Å; Y142-M164 HydrophobicContact CE2-CE 4.1Å; Y142-M164 HydrophobicContact CE2-CG 3.83Å; Y142-M164 HydrophobicContact CE2-SD 4.4Å; Y142-M164 HydrophobicContact CG-CG 3.78Å; W160-M164 HydrophobicContact CE3-CB 4.39Å; W160-M164 HydrophobicContact CH2-CB 4.44Å; W160-M164 HydrophobicContact CH2-CE 3.51Å; W160-M164 HydrophobicContact CH2-CG 4.49Å; W160-M164 HydrophobicContact CZ2-CE 3.94Å; W160-M164 HydrophobicContact CZ3-CB 4.06Å; W160-M164 HydrophobicContact CZ3-CE 4.25Å; W160-M164 HydrophobicContact CZ3-CG 4.31Å; W160-M164 PolarHBondContact O-N 3.07Å; I161-M164 HydrophobicContact CD1-CB 4.33Å; I161-M164 HydrophobicContact CD1-CG 4.46Å; I161-M164 WeakPolarHBondContact O-CB 3.49Å; I161-M164 PolarHBondContact O-N 3.4Å; N162-M164 VanDerWaalsContact C-N 3.32Å; N162-M164 PolarHBondContact O-N 3.32Å; M164-I166 PolarHBondContact O-N 2.91Å; M164-S167 WeakPolarHBondContact O-CB 3.11Å; M164-S167 PolarHBondContact O-N 2.9Å; M164-S167 VanDerWaalsContact O-N 3.12Å; M164-S167 PolarHBondContact O-OG 3.5Å; M164-L168 WeakPolarHBondContact O-CG 3.38Å; M164-L168 PolarHBondContact O-N 3.06Å; M164-L168 HydrophobicContact SD-CD2 4.48Å; M164-P438 HydrophobicContact CB-CG 3.85Å; M164-P438 HydrophobicContact CE-CB 4.25Å; M164-P438 HydrophobicContact CE-CG 4.19Å; M164-P438 VanDerWaalsContact N-CG 3.3Å
165	L	98.1	Very high	94.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-70.7	-30.5	-177.9	-60.6	174.2	0	0	0	113.6	I148 I161 N162 G163 S167 L168 V182 L184 P201	I148-L165 HydrophobicContact CB-CD1 4.48Å; I148-L165 HydrophobicContact CD1-CD1 4.08Å; I148-L165 HydrophobicContact CD1-CD2 3.41Å; I148-L165 VanDerWaalsContact CD1-CD2 3.41Å; I148-L165 HydrophobicContact CD1-CG 4.27Å; I148-L165 HydrophobicContact CG1-CD2 4.47Å; I161-L165 HydrophobicContact CG1-CD1 4.38Å; I161-L165 WeakPolarHBondContact O-CG 3.29Å; I161-L165 PolarHBondContact O-N 3.35Å; N162-L165 PolarHBondContact O-N 2.94Å; G163-L165 PolarHBondContact O-N 3.41Å; L165-S167 VanDerWaalsContact C-N 3.3Å; L165-L168 HydrophobicContact CD2-CD1 3.83Å; L165-L168 PolarHBondContact O-N 3.31Å; L165-V182 HydrophobicContact CD2-CB 4.04Å; L165-V182 HydrophobicContact CD2-CG1 4.08Å; L165-L184 HydrophobicContact CD1-CB 3.64Å; L165-L184 HydrophobicContact CD1-CD1 4.03Å; L165-L184 HydrophobicContact CD1-CD2 4.11Å; L165-L184 HydrophobicContact CD1-CG 4.12Å; L165-P201 HydrophobicContact CB-CG 4Å
166	I	97	Very high	94.6	Very high	11 Å²	11	41.8 Å²	41.8	6%	0.056	23%	0.234	C	C	.	.	H	α-helix	trans	-66.3	-36.3	170.8	-68.1	165.2	0	0	0	110.8	N162 G163 M164 L168 L169 P201 C206 A352 C353	N162-I166 WeakPolarHBondContact O-CD1 3.48Å; N162-I166 VanDerWaalsContact O-CG1 3.29Å; N162-I166 WeakPolarHBondContact O-CG1 3.4Å; N162-I166 PolarHBondContact O-N 3.31Å; N162-I166 VanDerWaalsContact O-N 3.07Å; G163-I166 PolarHBondContact O-N 3.02Å; M164-I166 PolarHBondContact O-N 2.91Å; I166-L168 PolarHBondContact O-N 3.27Å; I166-L169 HydrophobicContact CG2-CD1 4.4Å; I166-L169 WeakPolarHBondContact O-CB 3.4Å; I166-L169 VanDerWaalsContact O-CG 3.25Å; I166-L169 WeakPolarHBondContact O-CG 3.4Å; I166-L169 PolarHBondContact O-N 3.41Å; I166-P201 HydrophobicContact CG1-CB 4.21Å; I166-C206 HydrophobicContact CD1-CB 4.17Å; I166-A352 HydrophobicContact CD1-CB 3.77Å; I166-A352 WeakPolarHBondContact CG2-O 3.24Å; I166-C353 HydrophobicContact CD1-CB 3.86Å; I166-C353 HydrophobicContact CG1-CB 4.42Å
167	S	94.8	Very high	94.7	Very high	55 Å²	55	40.3 Å²	40.3	39%	0.385	23%	0.227	S	C	.	.	H	α-helix	trans	-68.5	-15.4	177.7	79.6	0	0	0	0	114	G163 M164 L165 L169	G163-S167 WeakPolarHBondContact O-CB 3.43Å; G163-S167 PolarHBondContact O-N 3.2Å; M164-S167 WeakPolarHBondContact O-CB 3.11Å; M164-S167 PolarHBondContact O-N 2.9Å; M164-S167 VanDerWaalsContact O-N 3.12Å; M164-S167 PolarHBondContact O-OG 3.5Å; L165-S167 VanDerWaalsContact C-N 3.3Å; S167-L169 VanDerWaalsContact C-N 3.31Å
168	L	95.5	Very high	94.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-17.8	175.7	-58.1	-173.1	0	0	0	113.5	D139 R143 M164 L165 I166 V182	D139-L168 HydrophobicContact CB-CD2 3.55Å; R143-L168 HydrophobicContact CB-CD1 4.48Å; R143-L168 PolarHBondContact NH1-O 3.14Å; M164-L168 WeakPolarHBondContact O-CG 3.38Å; M164-L168 PolarHBondContact O-N 3.06Å; M164-L168 HydrophobicContact SD-CD2 4.48Å; L165-L168 HydrophobicContact CD2-CD1 3.83Å; L165-L168 PolarHBondContact O-N 3.31Å; I166-L168 PolarHBondContact O-N 3.27Å; L168-V182 HydrophobicContact CD1-CG2 3.97Å
169	L	96	Very high	94.6	Very high	15 Å²	15	48.7 Å²	48.7	8%	0.079	29%	0.285	C	S	.	.			trans	-67	134	-173.6	-61.1	-177.5	0	0	0	111.1	I166 S167 Y171 L176 S180 I181 P201	I166-L169 HydrophobicContact CG2-CD1 4.4Å; I166-L169 WeakPolarHBondContact O-CB 3.4Å; I166-L169 VanDerWaalsContact O-CG 3.25Å; I166-L169 WeakPolarHBondContact O-CG 3.4Å; I166-L169 PolarHBondContact O-N 3.41Å; S167-L169 VanDerWaalsContact C-N 3.31Å; L169-Y171 HydrophobicContact CB-CD2 4.34Å; L169-Y171 HydrophobicContact CB-CE2 3.65Å; L169-Y171 HydrophobicContact CD1-CE2 4.13Å; L169-L176 HydrophobicContact CB-CD1 4.05Å; L169-L176 HydrophobicContact CD1-CD1 4.29Å; L169-L176 HydrophobicContact CD2-CD1 4.05Å; L169-L176 HydrophobicContact CG-CD1 4.35Å; L169-S180 WeakPolarHBondContact CA-OG 3.01Å; L169-I181 HydrophobicContact CD2-CB 4.45Å; L169-I181 HydrophobicContact CD2-CG1 3.95Å; L169-P201 HydrophobicContact CD1-CB 4.16Å; L169-P201 HydrophobicContact CD2-CB 4.1Å; L169-P201 HydrophobicContact CG-CB 4.39Å
170	N	92.5	Very high	94.6	Very high	77 Å²	77	48.3 Å²	48.3	41%	0.412	28%	0.284	S	S	.	.			trans	-106.7	132.1	173.4	-67.1	-29.3	0	0	0	109.1	D177 S180	N170-D177 HydrophobicContact CB-CB 4.31Å; N170-D177 PolarHBondContact O-N 3.46Å; N170-S180 PolarHBondContact N-OG 2.8Å
171	Y	91.7	Very high	94.6	Very high	62 Å²	62	48.3 Å²	48.3	24%	0.243	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	113	174.6	-69	-100.3	0	0	0	108.6	L169 V175 L176 Q355	L169-Y171 HydrophobicContact CB-CD2 4.34Å; L169-Y171 HydrophobicContact CB-CE2 3.65Å; L169-Y171 HydrophobicContact CD1-CE2 4.13Å; Y171-V175 CarbonylContact C-O 3.39Å; Y171-V175 WeakPolarHBondContact CA-O 3.42Å; Y171-L176 HydrophobicContact CD1-CB 4.06Å; Y171-L176 HydrophobicContact CD1-CD1 4.49Å; Y171-L176 HydrophobicContact CD2-CD1 4.48Å; Y171-L176 HydrophobicContact CE1-CB 3.73Å; Y171-L176 HydrophobicContact CE1-CD1 4.03Å; Y171-L176 HydrophobicContact CE1-CG 4.36Å; Y171-L176 HydrophobicContact CE2-CD1 3.98Å; Y171-Q355 HydrophobicContact CD1-CG 4.02Å; Y171-Q355 HydrophobicContact CE1-CG 3.54Å; Y171-Q355 HydrophobicContact CE2-CG 4.21Å; Y171-Q355 PolarHBondContact OH-NE2 2.85Å; Y171-Q355 VanDerWaalsContact OH-NE2 3.09Å
172	E	89.1	Confident	94.7	Very high	138 Å²	138	48.8 Å²	48.8	65%	0.645	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.5	113.6	175.4	-63.1	-172.4	169.4	0	0	108	G174 V175	E172-G174 PolarHBondContact O-N 2.67Å; E172-G174 VanDerWaalsContact O-N 3.08Å; E172-V175 PolarHBondContact N-O 2.99Å; E172-V175 WeakPolarHBondContact O-CB 3.36Å; E172-V175 PolarHBondContact O-N 3.24Å
173	D	88	Confident	94.7	Very high	176 Å²	176	49.4 Å²	49.4	94%	0.941	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	34.9	-177.2	-62.9	-39.2	0	0	0	114.4	V175	D173-V175 VanDerWaalsContact C-N 3.31Å
174	G	86.6	Confident	94.8	Very high	65 Å²	65	49.5 Å²	49.5	67%	0.67	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.5	-1.6	-179.8	0	0	0	0	0	114.8	E172	E172-G174 PolarHBondContact O-N 2.67Å; E172-G174 VanDerWaalsContact O-N 3.08Å
175	V	91.8	Very high	94.9	Very high	106 Å²	106	49.1 Å²	49.1	64%	0.642	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.4	129.3	173.3	-175.3	0	0	0	0	109.2	Y171 E172 D173 D177	Y171-V175 CarbonylContact C-O 3.39Å; Y171-V175 WeakPolarHBondContact CA-O 3.42Å; E172-V175 PolarHBondContact N-O 2.99Å; E172-V175 WeakPolarHBondContact O-CB 3.36Å; E172-V175 PolarHBondContact O-N 3.24Å; D173-V175 VanDerWaalsContact C-N 3.31Å; V175-D177 PolarHBondContact O-N 3.33Å
176	L	93.7	Very high	94.9	Very high	32 Å²	32	49.2 Å²	49.2	17%	0.168	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	123.1	177.5	174.8	58.2	0	0	0	110.4	L169 Y171 P178 I181 M203	L169-L176 HydrophobicContact CB-CD1 4.05Å; L169-L176 HydrophobicContact CD1-CD1 4.29Å; L169-L176 HydrophobicContact CD2-CD1 4.05Å; L169-L176 HydrophobicContact CG-CD1 4.35Å; Y171-L176 HydrophobicContact CD1-CB 4.06Å; Y171-L176 HydrophobicContact CD1-CD1 4.49Å; Y171-L176 HydrophobicContact CD2-CD1 4.48Å; Y171-L176 HydrophobicContact CE1-CB 3.73Å; Y171-L176 HydrophobicContact CE1-CD1 4.03Å; Y171-L176 HydrophobicContact CE1-CG 4.36Å; Y171-L176 HydrophobicContact CE2-CD1 3.98Å; L176-P178 WeakPolarHBondContact O-CD 3.29Å; L176-I181 HydrophobicContact CD1-CG1 4.38Å; L176-I181 HydrophobicContact CD2-CD1 3.69Å; L176-I181 HydrophobicContact CD2-CG1 4.15Å; L176-I181 HydrophobicContact CG-CD1 4.15Å; L176-I181 HydrophobicContact CG-CG1 4.35Å; L176-M203 HydrophobicContact CD2-CG 3.8Å
177	D	95.1	Very high	95	Very high	37 Å²	37	48.7 Å²	48.7	20%	0.198	29%	0.29	C	S	.	.			trans	-71.8	113.9	169.5	167.6	19.7	0	0	0	109.5	N170 V175 S179 S180	N170-D177 HydrophobicContact CB-CB 4.31Å; N170-D177 PolarHBondContact O-N 3.46Å; V175-D177 PolarHBondContact O-N 3.33Å; D177-S179 VanDerWaalsContact CG-OG 3.23Å; D177-S179 PolarHBondContact O-N 3.03Å; D177-S179 WeakPolarHBondContact OD1-CB 3.36Å; D177-S179 PolarHBondContact OD1-N 2.63Å; D177-S179 PolarHBondContact OD1-OG 3.35Å; D177-S179 PolarHBondContact OD2-OG 3.3Å; D177-S180 WeakPolarHBondContact O-CB 3.47Å; D177-S180 PolarHBondContact O-N 3.45Å; D177-S180 VanDerWaalsContact O-N 3.14Å; D177-S180 PolarHBondContact O-OG 3.37Å
178	P	95.7	Very high	95.1	Very high	98 Å²	98	46.4 Å²	46.4	64%	0.636	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-63.4	-24.5	-177.6	27.3	-35.2	0	0	0	113.1	L176 S180 I181	L176-P178 WeakPolarHBondContact O-CD 3.29Å; P178-S180 PolarHBondContact O-N 3.48Å; P178-I181 WeakPolarHBondContact O-CB 3.39Å; P178-I181 PolarHBondContact O-N 2.91Å
179	S	96.2	Very high	95.1	Very high	103 Å²	103	48.4 Å²	48.4	72%	0.72	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-72.4	-18.1	179.4	81.9	0	0	0	0	113.2	D177 I181	D177-S179 VanDerWaalsContact CG-OG 3.23Å; D177-S179 PolarHBondContact O-N 3.03Å; D177-S179 WeakPolarHBondContact OD1-CB 3.36Å; D177-S179 PolarHBondContact OD1-N 2.63Å; D177-S179 PolarHBondContact OD1-OG 3.35Å; D177-S179 PolarHBondContact OD2-OG 3.3Å; S179-I181 VanDerWaalsContact C-N 3.31Å
180	S	97.1	Very high	95.1	Very high	5 Å²	5	52.8 Å²	52.8	4%	0.035	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-81.5	-10.4	175.1	74.2	0	0	0	0	113.5	L169 N170 D177 P178 V182	L169-S180 WeakPolarHBondContact CA-OG 3.01Å; N170-S180 PolarHBondContact N-OG 2.8Å; D177-S180 WeakPolarHBondContact O-CB 3.47Å; D177-S180 PolarHBondContact O-N 3.45Å; D177-S180 VanDerWaalsContact O-N 3.14Å; D177-S180 PolarHBondContact O-OG 3.37Å; P178-S180 PolarHBondContact O-N 3.48Å; S180-V182 PolarHBondContact O-N 2.93Å
181	I	98.3	Very high	95.2	Very high	24 Å²	24	49.8 Å²	49.8	12%	0.123	29%	0.294	C	S	.	.			trans	-80.1	119.6	-178.4	-55.8	177.4	0	0	0	109.1	L169 L176 P178 S179 P183 L200 M203	L169-I181 HydrophobicContact CD2-CB 4.45Å; L169-I181 HydrophobicContact CD2-CG1 3.95Å; L176-I181 HydrophobicContact CD1-CG1 4.38Å; L176-I181 HydrophobicContact CD2-CD1 3.69Å; L176-I181 HydrophobicContact CD2-CG1 4.15Å; L176-I181 HydrophobicContact CG-CD1 4.15Å; L176-I181 HydrophobicContact CG-CG1 4.35Å; P178-I181 WeakPolarHBondContact O-CB 3.39Å; P178-I181 PolarHBondContact O-N 2.91Å; S179-I181 VanDerWaalsContact C-N 3.31Å; I181-P183 WeakPolarHBondContact O-CD 3.44Å; I181-L200 HydrophobicContact CG2-CB 4.49Å; I181-M203 HydrophobicContact CD1-CG 3.86Å; I181-M203 HydrophobicContact CD1-SD 3.39Å; I181-M203 WeakPolarHBondContact CD1-SD 3.35Å
182	V	98.7	Very high	95.5	Very high	10 Å²	10	51.8 Å²	51.8	6%	0.061	30%	0.304	C	S	.	.			trans	-104.5	104.9	168	-178.1	0	0	0	0	108.4	I148 L165 L168 S180 L184 P201	I148-V182 HydrophobicContact CD1-CG1 4.13Å; I148-V182 HydrophobicContact CG1-CG1 3.87Å; L165-V182 HydrophobicContact CD2-CB 4.04Å; L165-V182 HydrophobicContact CD2-CG1 4.08Å; L168-V182 HydrophobicContact CD1-CG2 3.97Å; S180-V182 PolarHBondContact O-N 2.93Å; V182-L184 PolarHBondContact O-N 3.42Å; V182-P201 WeakPolarHBondContact O-CD 3.43Å; V182-P201 WeakPolarHBondContact O-CG 3.39Å
183	P	98.8	Very high	95.9	Very high	15 Å²	15	50.9 Å²	50.9	10%	0.097	30%	0.298	C	S	.	.			trans	-52.6	132.9	176.2	-29.8	35.3	0	0	0	113	H146 I147 I148 I181 L200 I317	H146-P183 WeakPolarHBondContact O-CD 3.24Å; I147-P183 HydrophobicContact CG2-CB 4.44Å; I148-P183 PolarHBondContact N-O 3.02Å; I181-P183 WeakPolarHBondContact O-CD 3.44Å; P183-L200 HydrophobicContact CB-CD2 3.91Å; P183-L200 HydrophobicContact CG-CD2 3.83Å; P183-I317 HydrophobicContact CB-CD1 4.12Å; P183-I317 HydrophobicContact CB-CG2 4.03Å; P183-I317 HydrophobicContact CG-CG2 3.8Å
184	L	98.8	Very high	96.4	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.01	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	123.7	175.9	174	63	0	0	0	109.8	I148 C150 L165 V182 I199 I207	I148-L184 HydrophobicContact CB-CD1 4.31Å; I148-L184 HydrophobicContact CG2-CD1 4.06Å; I148-L184 CarbonylContact O-C 3.56Å; I148-L184 WeakPolarHBondContact O-CA 3.12Å; C150-L184 VanDerWaalsContact SG-CD1 3.6Å; L165-L184 HydrophobicContact CD1-CB 3.64Å; L165-L184 HydrophobicContact CD1-CD1 4.03Å; L165-L184 HydrophobicContact CD1-CD2 4.11Å; L165-L184 HydrophobicContact CD1-CG 4.12Å; V182-L184 PolarHBondContact O-N 3.42Å; L184-I199 HydrophobicContact CB-CB 4.17Å; L184-I199 HydrophobicContact CD2-CD1 4.09Å; L184-I199 PolarHBondContact N-O 2.93Å; L184-I199 WeakPolarHBondContact O-CA 3.37Å; L184-I199 WeakPolarHBondContact O-CB 3.46Å; L184-I199 PolarHBondContact O-N 3.4Å; L184-I207 HydrophobicContact CD2-CG1 4.4Å
185	I	98.8	Very high	96.9	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	119.1	173.6	-52.2	-173.5	0	0	0	107.9	I147 I148 V149 C150 R197 V198 C310 E313 V314 I317	I147-I185 HydrophobicContact CG2-CD1 4.3Å; I147-I185 HydrophobicContact CG2-CG1 4.43Å; I148-I185 PolarHBondContact O-N 3.26Å; V149-I185 CarbonylContact C-O 3.13Å; V149-I185 WeakPolarHBondContact CA-O 3.4Å; V149-I185 HydrophobicContact CB-CB 4.35Å; V149-I185 HydrophobicContact CG2-CB 4.04Å; V149-I185 HydrophobicContact CG2-CG2 4.2Å; C150-I185 PolarHBondContact N-O 2.89Å; I185-R197 CarbonylContact C-O 3.49Å; I185-R197 WeakPolarHBondContact CA-O 3.42Å; I185-V198 HydrophobicContact CG1-CG2 4.48Å; I185-C310 HydrophobicContact CG2-CB 3.75Å; I185-E313 VanDerWaalsContact CD1-C 3.44Å; I185-E313 HydrophobicContact CD1-CB 3.71Å; I185-E313 HydrophobicContact CG2-CB 4.44Å; I185-V314 HydrophobicContact CD1-CB 4.13Å; I185-V314 HydrophobicContact CD1-CG2 3.51Å; I185-V314 HydrophobicContact CG1-CG2 4.46Å; I185-I317 HydrophobicContact CD1-CD1 3.66Å; I185-I317 HydrophobicContact CG1-CD1 4.12Å
186	D	98.7	Very high	97.2	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.011	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	131.3	-177.9	174.2	84.4	0	0	0	111.1	C150 R158 A196 R197 I207	C150-D186 HydrophobicContact CB-CB 4.24Å; C150-D186 WeakPolarHBondContact CB-OD1 3.47Å; R158-D186 WeakPolarHBondContact CD-OD1 3.46Å; R158-D186 WeakPolarHBondContact CG-OD1 3.39Å; R158-D186 IonicContact CZ-OD1 2.78Å; R158-D186 IonicContact NE-OD1 2.71Å; R158-D186 PolarHBondContact NE-OD1 2.89Å; R158-D186 IonicContact NE-OD2 2.72Å; R158-D186 PolarHBondContact NE-OD2 3.1Å; D186-A196 CarbonylContact O-C 3.58Å; D186-A196 WeakPolarHBondContact O-CA 3.42Å; D186-R197 HydrophobicContact CB-CG 3.8Å; D186-R197 PolarHBondContact N-O 3.23Å; D186-R197 WeakPolarHBondContact O-CG 3.42Å; D186-R197 PolarHBondContact O-N 3Å; D186-R197 IonicContact OD2-CZ 2.59Å; D186-R197 IonicContact OD2-NE 2.78Å; D186-R197 PolarHBondContact OD2-NE 3.19Å; D186-R197 IonicContact OD2-NH2 3.33Å; D186-R197 PolarHBondContact OD2-NH2 2.86Å; D186-I207 HydrophobicContact CB-CD1 4.38Å
187	G	98.3	Very high	97.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	143.4	172.2	0	0	0	0	0	111.5	C150 R158 N195	C150-G187 PolarHBondContact O-N 3.02Å; R158-G187 PolarHBondContact NH2-O 3.16Å; G187-N195 CarbonylContact C-O 3.53Å; G187-N195 WeakPolarHBondContact CA-O 3.18Å
188	G	97	Very high	97.6	Very high	6 Å²	6	33.1 Å²	33.1	6%	0.062	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	141.8	172.4	0	0	0	0	0	111.1	G194 N195	G188-G194 CarbonylContact O-C 3.56Å; G188-G194 WeakPolarHBondContact O-CA 3.49Å; G188-N195 PolarHBondContact N-O 3.39Å; G188-N195 PolarHBondContact O-N 3.37Å
189	T	96.5	Very high	97.7	Very high	42 Å²	42	28.5 Å²	28.5	26%	0.258	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	138.8	178	56	0	0	0	0	111.2	L66 T302 N303 I306	L66-T189 HydrophobicContact CD1-CG2 4.1Å; T189-T302 HydrophobicContact CG2-CG2 4.11Å; T189-N303 PolarHBondContact OG1-OD1 3.1Å; T189-I306 HydrophobicContact CG2-CB 3.94Å; T189-I306 HydrophobicContact CG2-CG1 3.74Å; T189-I306 HydrophobicContact CG2-CG2 4.44Å
190	E	94.9	Very high	97.8	Very high	108 Å²	108	26 Å²	26	51%	0.505	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	108.7	174.4	170.1	166.2	178.6	0	0	109	F192 K193 I296	E190-F192 PolarHBondContact O-N 3.37Å; E190-K193 CarbonylContact C-O 3.42Å; E190-K193 PolarHBondContact N-O 3.17Å; E190-K193 PolarHBondContact O-N 3.21Å; E190-K193 VanDerWaalsContact O-O 3.12Å; E190-I296 HydrophobicContact CB-CG2 3.93Å; E190-I296 HydrophobicContact CG-CG2 3.66Å
191	G	95.3	Very high	97.9	Very high	14 Å²	14	25.8 Å²	25.8	14%	0.144	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	-111.4	-176.9	0	0	0	0	0	112.3	P297 T302	G191-P297 VanDerWaalsContact CA-O 3.27Å; G191-P297 WeakPolarHBondContact CA-O 3.2Å; G191-P297 PolarHBondContact N-O 3.15Å; G191-T302 WeakPolarHBondContact O-CB 3.47Å; G191-T302 PolarHBondContact O-OG1 3.42Å
192	F	97.5	Very high	97.7	Very high	103 Å²	103	24.9 Å²	24.9	45%	0.452	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	19.8	-177.9	-68.4	-55.1	0	0	0	112.5	E190 V299 N332 D333 V334	E190-F192 PolarHBondContact O-N 3.37Å; F192-V299 HydrophobicContact CD1-CG2 4.39Å; F192-V299 HydrophobicContact CE1-CG1 4.49Å; F192-V299 HydrophobicContact CE1-CG2 4.19Å; F192-N332 WeakPolarHBondContact O-CA 3.28Å; F192-N332 PolarHBondContact O-OD1 2.92Å; F192-D333 WeakPolarHBondContact CA-OD1 3.49Å; F192-D333 WeakPolarHBondContact CB-OD1 3.39Å; F192-D333 VanDerWaalsContact CD1-OD1 3.28Å; F192-D333 WeakPolarHBondContact CD1-OD1 3.48Å; F192-D333 PolarHBondContact O-N 3.11Å; F192-V334 HydrophobicContact CB-CG2 3.6Å; F192-V334 HydrophobicContact CD2-CG2 4.46Å; F192-V334 HydrophobicContact CG-CG2 4.42Å
193	K	97.8	Very high	97.6	Very high	120 Å²	120	29.7 Å²	29.7	52%	0.522	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	149.2	179.1	-61.4	175.8	-175.3	174	0	109.1	E190 T302 F331 N332	E190-K193 CarbonylContact C-O 3.42Å; E190-K193 PolarHBondContact N-O 3.17Å; E190-K193 PolarHBondContact O-N 3.21Å; E190-K193 VanDerWaalsContact O-O 3.12Å; K193-T302 VanDerWaalsContact O-CG2 3.31Å; K193-T302 WeakPolarHBondContact O-CG2 3.22Å; K193-F331 WeakPolarHBondContact CA-O 3.37Å; K193-N332 HydrophobicContact CG-CB 4.46Å
194	G	97.8	Very high	97.5	Very high	6 Å²	6	30.4 Å²	30.4	6%	0.062	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	170.8	172.7	0	0	0	0	0	111.8	G188 F331	G188-G194 CarbonylContact O-C 3.56Å; G188-G194 WeakPolarHBondContact O-CA 3.49Å; G194-F331 PolarHBondContact N-O 3.43Å; G194-F331 PolarHBondContact O-N 3.01Å
195	N	98	Very high	97.5	Very high	29 Å²	29	30.4 Å²	30.4	16%	0.155	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	151.8	174.5	68.4	-82.2	0	0	0	110.1	G187 G188 I306 Y328 L329	G187-N195 CarbonylContact C-O 3.53Å; G187-N195 WeakPolarHBondContact CA-O 3.18Å; G188-N195 PolarHBondContact N-O 3.39Å; G188-N195 PolarHBondContact O-N 3.37Å; N195-I306 WeakPolarHBondContact O-CG2 3.48Å; N195-Y328 HydrophobicContact CB-CE1 3.8Å; N195-Y328 PolarHBondContact ND2-OH 2.87Å; N195-L329 CarbonylContact C-O 3.53Å; N195-L329 WeakPolarHBondContact CA-O 3.24Å; N195-L329 VanDerWaalsContact CB-O 3.29Å; N195-L329 WeakPolarHBondContact CB-O 3.37Å
196	A	98.6	Very high	97.4	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.008	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	143.8	169.9	0	0	0	0	0	108.2	D186 I306 V309 L329	D186-A196 CarbonylContact O-C 3.58Å; D186-A196 WeakPolarHBondContact O-CA 3.42Å; A196-I306 HydrophobicContact CB-CG2 4.35Å; A196-V309 HydrophobicContact CB-CB 4.13Å; A196-V309 HydrophobicContact CB-CG1 3.59Å; A196-L329 PolarHBondContact N-O 3.39Å; A196-L329 PolarHBondContact O-N 3Å
197	R	97.8	Very high	97.4	Very high	1 Å²	1	30.3 Å²	30.3	0%	0.004	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	145.2	175.3	58.7	-176	151.7	-163.6	-10.4	113	I185 D186 I199 T210 Y214 N327 Y328	I185-R197 CarbonylContact C-O 3.49Å; I185-R197 WeakPolarHBondContact CA-O 3.42Å; D186-R197 HydrophobicContact CB-CG 3.8Å; D186-R197 PolarHBondContact N-O 3.23Å; D186-R197 WeakPolarHBondContact O-CG 3.42Å; D186-R197 PolarHBondContact O-N 3Å; D186-R197 IonicContact OD2-CZ 2.59Å; D186-R197 IonicContact OD2-NE 2.78Å; D186-R197 PolarHBondContact OD2-NE 3.19Å; D186-R197 IonicContact OD2-NH2 3.33Å; D186-R197 PolarHBondContact OD2-NH2 2.86Å; R197-I199 HydrophobicContact CG-CD1 4.25Å; R197-I199 HydrophobicContact CG-CG1 4.43Å; R197-T210 PolarHBondContact NH1-OG1 2.78Å; R197-Y214 PolarHBondContact NH2-OH 3.42Å; R197-N327 CarbonylContact C-O 3.51Å; R197-N327 WeakPolarHBondContact CA-O 3.42Å; R197-N327 VanDerWaalsContact CB-O 3.24Å; R197-N327 WeakPolarHBondContact CB-O 3.44Å; R197-Y328 HydrophobicContact CB-CD2 4.06Å; R197-Y328 HydrophobicContact CB-CE2 4.34Å
198	V	98.8	Very high	97.2	Very high	6 Å²	6	30.7 Å²	30.7	4%	0.036	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	118.2	174.5	179.4	0	0	0	0	108.4	I185 E313 I317 P324 L325 N327	I185-V198 HydrophobicContact CG1-CG2 4.48Å; V198-E313 HydrophobicContact CG2-CB 3.67Å; V198-E313 HydrophobicContact CG2-CG 3.69Å; V198-I317 HydrophobicContact CG1-CD1 3.66Å; V198-P324 HydrophobicContact CG1-CB 4.48Å; V198-L325 HydrophobicContact CG2-CB 4Å; V198-L325 HydrophobicContact CG2-CD2 4.4Å; V198-L325 HydrophobicContact CG2-CG 4.5Å; V198-N327 PolarHBondContact N-O 3.21Å
199	I	98.7	Very high	97.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	126	-176.8	-58.9	169.6	0	0	0	107.9	L184 R197 P201 C206 I207	L184-I199 HydrophobicContact CB-CB 4.17Å; L184-I199 HydrophobicContact CD2-CD1 4.09Å; L184-I199 PolarHBondContact N-O 2.93Å; L184-I199 WeakPolarHBondContact O-CA 3.37Å; L184-I199 WeakPolarHBondContact O-CB 3.46Å; L184-I199 PolarHBondContact O-N 3.4Å; R197-I199 HydrophobicContact CG-CD1 4.25Å; R197-I199 HydrophobicContact CG-CG1 4.43Å; I199-P201 WeakPolarHBondContact O-CD 3.35Å; I199-C206 HydrophobicContact CG2-CB 4.32Å; I199-I207 HydrophobicContact CD1-CD1 3.44Å; I199-I207 VanDerWaalsContact CD1-CD1 3.44Å; I199-I207 HydrophobicContact CD1-CG1 3.73Å
200	L	98.5	Very high	97.2	Very high	50 Å²	50	29 Å²	29	26%	0.262	15%	0.147	S	C	.	.			trans	-107.5	97.5	168.9	-59.6	178.7	0	0	0	106.1	I181 P183 G202 M203 T204	I181-L200 HydrophobicContact CG2-CB 4.49Å; P183-L200 HydrophobicContact CB-CD2 3.91Å; P183-L200 HydrophobicContact CG-CD2 3.83Å; L200-G202 PolarHBondContact O-N 3.09Å; L200-M203 HydrophobicContact CB-CB 4.05Å; L200-M203 PolarHBondContact O-N 3.08Å; L200-T204 HydrophobicContact CB-CG2 4.07Å; L200-T204 HydrophobicContact CD1-CG2 4.2Å; L200-T204 HydrophobicContact CG-CG2 4.27Å; L200-T204 PolarHBondContact N-OG1 2.92Å; L200-T204 PolarHBondContact O-N 2.85Å
201	P	97.9	Very high	97.1	Very high	1 Å²	1	24 Å²	24	1%	0.006	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	131.4	-175	-28.5	35.3	0	0	0	112	L165 I166 L169 V182 I199 M203	L165-P201 HydrophobicContact CB-CG 4Å; I166-P201 HydrophobicContact CG1-CB 4.21Å; L169-P201 HydrophobicContact CD1-CB 4.16Å; L169-P201 HydrophobicContact CD2-CB 4.1Å; L169-P201 HydrophobicContact CG-CB 4.39Å; V182-P201 WeakPolarHBondContact O-CD 3.43Å; V182-P201 WeakPolarHBondContact O-CG 3.39Å; I199-P201 WeakPolarHBondContact O-CD 3.35Å; P201-M203 PolarHBondContact O-N 3.37Å
202	G	95.1	Very high	96.9	Very high	6 Å²	6	28.6 Å²	28.6	6%	0.062	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.4	-7.5	-178.2	0	0	0	0	0	115.4	L200 R346	L200-G202 PolarHBondContact O-N 3.09Å; G202-R346 PolarHBondContact O-NH1 2.91Å; G202-R346 PolarHBondContact O-NH2 3.43Å; G202-R346 VanDerWaalsContact O-NH2 3.13Å
203	M	96.2	Very high	96.6	Very high	110 Å²	110	28.3 Å²	28.3	54%	0.542	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.7	-54.2	177.9	-64.7	-177.5	71.5	0	0	112.7	L176 I181 L200 P201 R346	L176-M203 HydrophobicContact CD2-CG 3.8Å; I181-M203 HydrophobicContact CD1-CG 3.86Å; I181-M203 HydrophobicContact CD1-SD 3.39Å; I181-M203 WeakPolarHBondContact CD1-SD 3.35Å; L200-M203 HydrophobicContact CB-CB 4.05Å; L200-M203 PolarHBondContact O-N 3.08Å; P201-M203 PolarHBondContact O-N 3.37Å; M203-R346 WeakPolarHBondContact O-CD 3.16Å
204	T	97.5	Very high	96.3	Very high	30 Å²	30	24.9 Å²	24.9	18%	0.184	13%	0.128	C	C	.	.	S	Bend	trans	-102.6	175.4	-178	68	0	0	0	0	112.2	L200 C206	L200-T204 HydrophobicContact CB-CG2 4.07Å; L200-T204 HydrophobicContact CD1-CG2 4.2Å; L200-T204 HydrophobicContact CG-CG2 4.27Å; L200-T204 PolarHBondContact N-OG1 2.92Å; L200-T204 PolarHBondContact O-N 2.85Å; T204-C206 PolarHBondContact O-N 3.12Å
205	A	97.9	Very high	95.9	Very high	2 Å²	2	28.7 Å²	28.7	2%	0.017	15%	0.152	C	C	.	.			trans	-62	121.6	176	0	0	0	0	0	111.2	C209 N327 A344 R346	A205-C209 HydrophobicContact CB-CB 3.8Å; A205-N327 PolarHBondContact O-ND2 3.05Å; A205-A344 HydrophobicContact CB-CB 4.02Å; A205-A344 VanDerWaalsContact CB-O 3.29Å; A205-A344 WeakPolarHBondContact CB-O 3.45Å; A205-R346 HydrophobicContact CB-CB 4.31Å
206	C	97.8	Very high	95.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.182	C	C	.	.			trans	-82.9	-179.1	179.6	79.6	0	0	0	0	112.1	N162 I166 I199 T204 E208 C209 T210 C353	N162-C206 VanDerWaalsContact OD1-CB 3.29Å; N162-C206 WeakPolarHBondContact OD1-CB 3.41Å; I166-C206 HydrophobicContact CD1-CB 4.17Å; I199-C206 HydrophobicContact CG2-CB 4.32Å; T204-C206 PolarHBondContact O-N 3.12Å; C206-E208 VanDerWaalsContact C-N 3.3Å; C206-E208 PolarHBondContact O-N 2.9Å; C206-E208 PolarHBondContact SG-N 3.27Å; C206-C209 WeakPolarHBondContact O-CB 3.4Å; C206-C209 PolarHBondContact O-N 2.85Å; C206-T210 PolarHBondContact O-OG1 3.2Å; C206-C353 HydrophobicContact CB-CB 4.26Å; C206-C353 VanDerWaalsContact SG-SG 3.61Å
207	I	97.3	Very high	94.4	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-42.7	177.4	-60.5	-68.5	0	0	0	111.2	R158 R159 N162 L184 D186 I199 C209 T210 L211	R158-I207 HydrophobicContact CB-CG2 4.34Å; R159-I207 HydrophobicContact CG-CG2 4.28Å; N162-I207 HydrophobicContact CB-CB 3.73Å; N162-I207 HydrophobicContact CB-CG1 3.52Å; N162-I207 PolarHBondContact OD1-N 3.21Å; L184-I207 HydrophobicContact CD2-CG1 4.4Å; D186-I207 HydrophobicContact CB-CD1 4.38Å; I199-I207 HydrophobicContact CD1-CD1 3.44Å; I199-I207 VanDerWaalsContact CD1-CD1 3.44Å; I199-I207 HydrophobicContact CD1-CG1 3.73Å; I207-C209 VanDerWaalsContact C-N 3.33Å; I207-C209 PolarHBondContact O-N 2.81Å; I207-T210 CarbonylContact O-C 3.59Å; I207-T210 PolarHBondContact O-N 2.79Å; I207-T210 PolarHBondContact O-OG1 2.89Å; I207-L211 PolarHBondContact O-N 3.28Å; I207-L211 VanDerWaalsContact O-N 3.14Å
208	E	95.4	Very high	93.6	Very high	8 Å²	8	43.4 Å²	43.4	4%	0.037	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-67.1	-31.3	179.7	-63.8	-57.9	141.2	0	0	113	R159 C206 T210 L211 A352	R159-E208 WeakPolarHBondContact CB-OE1 3.31Å; R159-E208 VanDerWaalsContact CG-OE1 3.24Å; R159-E208 WeakPolarHBondContact CG-OE1 3.19Å; R159-E208 IonicContact CZ-OE1 2.75Å; R159-E208 IonicContact CZ-OE2 2.73Å; R159-E208 IonicContact NE-OE1 3.86Å; R159-E208 PolarHBondContact NE-OE1 2.79Å; R159-E208 IonicContact NE-OE2 3.57Å; R159-E208 PolarHBondContact NE-OE2 2.66Å; R159-E208 IonicContact NH2-OE1 2.56Å; R159-E208 PolarHBondContact NH2-OE1 2.79Å; R159-E208 IonicContact NH2-OE2 3.88Å; R159-E208 PolarHBondContact NH2-OE2 3.42Å; C206-E208 VanDerWaalsContact C-N 3.3Å; C206-E208 PolarHBondContact O-N 2.9Å; C206-E208 PolarHBondContact SG-N 3.27Å; E208-T210 PolarHBondContact O-N 3.07Å; E208-L211 PolarHBondContact O-N 2.85Å; E208-A352 HydrophobicContact CB-CB 3.99Å; E208-A352 HydrophobicContact CG-CB 3.5Å; E208-A352 VanDerWaalsContact CG-CB 3.5Å
209	C	96.7	Very high	92.9	Very high	6 Å²	6	48.4 Å²	48.4	4%	0.041	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-59.3	-34	175.3	-70.8	0	0	0	0	111.3	A205 C206 I207 K347 C350	A205-C209 HydrophobicContact CB-CB 3.8Å; C206-C209 WeakPolarHBondContact O-CB 3.4Å; C206-C209 PolarHBondContact O-N 2.85Å; I207-C209 VanDerWaalsContact C-N 3.33Å; I207-C209 PolarHBondContact O-N 2.81Å; C209-K347 WeakPolarHBondContact O-CE 3.32Å; C209-K347 PolarHBondContact O-NZ 3.3Å; C209-K347 VanDerWaalsContact O-NZ 3.09Å; C209-C350 VanDerWaalsContact SG-SG 3.67Å
210	T	95.2	Very high	92.3	Very high	8 Å²	8	51 Å²	51	5%	0.049	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-107.6	14.6	-174.9	56.9	0	0	0	0	113.4	R197 C206 I207 E208 E212 L213 A344	R197-T210 PolarHBondContact NH1-OG1 2.78Å; C206-T210 PolarHBondContact O-OG1 3.2Å; I207-T210 CarbonylContact O-C 3.59Å; I207-T210 PolarHBondContact O-N 2.79Å; I207-T210 PolarHBondContact O-OG1 2.89Å; E208-T210 PolarHBondContact O-N 3.07Å; T210-E212 PolarHBondContact O-N 3.02Å; T210-E212 VanDerWaalsContact O-N 3.14Å; T210-L213 HydrophobicContact CG2-CD1 4.04Å; T210-L213 VanDerWaalsContact O-CB 3.32Å; T210-L213 WeakPolarHBondContact O-CB 3.3Å; T210-L213 PolarHBondContact O-N 3.44Å; T210-A344 HydrophobicContact CG2-CB 3.73Å
211	L	93.2	Very high	91.9	Very high	3 Å²	3	52 Å²	52	2%	0.016	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-58.7	-30.6	-176.4	-170.7	67.5	0	0	0	113	I155 R159 I207 E208 L213 Y214 Q382	I155-L211 HydrophobicContact CG2-CD1 3.96Å; R159-L211 HydrophobicContact CG-CD1 4.17Å; I207-L211 PolarHBondContact O-N 3.28Å; I207-L211 VanDerWaalsContact O-N 3.14Å; E208-L211 PolarHBondContact O-N 2.85Å; L211-L213 PolarHBondContact O-N 2.89Å; L211-Y214 HydrophobicContact CD1-CD2 4Å; L211-Y214 HydrophobicContact CD1-CE2 4.06Å; L211-Y214 WeakPolarHBondContact O-CD2 3.3Å; L211-Y214 PolarHBondContact O-N 2.88Å; L211-Q382 HydrophobicContact CD2-CB 4.3Å; L211-Q382 HydrophobicContact CD2-CG 4.33Å
212	E	90.9	Very high	91.4	Very high	110 Å²	110	56.8 Å²	56.8	51%	0.514	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-72.1	-12.9	178.3	-66.6	165.9	-128	0	0	113.7	T210 Y214 K347	T210-E212 PolarHBondContact O-N 3.02Å; T210-E212 VanDerWaalsContact O-N 3.14Å; E212-Y214 VanDerWaalsContact C-N 3.28Å; E212-K347 IonicContact OE1-NZ 3.95Å; E212-K347 PolarHBondContact OE1-NZ 3.19Å
213	L	92.4	Very high	91.1	Very high	96 Å²	96	60.6 Å²	60.6	50%	0.503	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-76.8	-14.9	176.5	-60	-174.1	0	0	0	112.8	T210 L211 Y328 F342	T210-L213 HydrophobicContact CG2-CD1 4.04Å; T210-L213 VanDerWaalsContact O-CB 3.32Å; T210-L213 WeakPolarHBondContact O-CB 3.3Å; T210-L213 PolarHBondContact O-N 3.44Å; L211-L213 PolarHBondContact O-N 2.89Å; L213-Y328 HydrophobicContact CD1-CE2 3.99Å; L213-F342 HydrophobicContact CD1-CZ 4.28Å
214	Y	90.8	Very high	91	Very high	48 Å²	48	56.2 Å²	56.2	19%	0.188	31%	0.313	C	S	.	.	S	Bend	trans	-69.7	140.2	173.2	-70.3	-74.8	0	0	0	110.5	I155 R158 R197 L211 E212	I155-Y214 HydrophobicContact CD1-CD1 3.61Å; I155-Y214 HydrophobicContact CD1-CD2 4.07Å; I155-Y214 HydrophobicContact CD1-CE1 4.12Å; I155-Y214 HydrophobicContact CD1-CG 3.58Å; I155-Y214 HydrophobicContact CG1-CD1 3.77Å; I155-Y214 HydrophobicContact CG1-CD2 4.34Å; I155-Y214 HydrophobicContact CG1-CE1 3.73Å; I155-Y214 HydrophobicContact CG1-CE2 4.31Å; I155-Y214 HydrophobicContact CG1-CG 4.08Å; I155-Y214 HydrophobicContact CG2-CD2 4.14Å; I155-Y214 HydrophobicContact CG2-CE2 3.88Å; R158-Y214 WeakPolarHBondContact CD-OH 3.36Å; R197-Y214 PolarHBondContact NH2-OH 3.42Å; L211-Y214 HydrophobicContact CD1-CD2 4Å; L211-Y214 HydrophobicContact CD1-CE2 4.06Å; L211-Y214 WeakPolarHBondContact O-CD2 3.3Å; L211-Y214 PolarHBondContact O-N 2.88Å; E212-Y214 VanDerWaalsContact C-N 3.28Å
215	P	89	Confident	90.7	Very high	86 Å²	86	54.8 Å²	54.8	56%	0.558	30%	0.304	S	S	*	.	P	Polyproline II helix	trans	-62.9	149	176.6	27.3	-34.3	0	0	0	110.8	Q217	P215-Q217 PolarHBondContact O-N 3.01Å
216	P	84.6	Confident	90.4	Very high	122 Å²	122	56.5 Å²	56.5	79%	0.792	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-59.8	136.4	175.8	25.5	-33.8	0	0	0	110.4	V218	P216-V218 PolarHBondContact O-N 3.35Å
217	Q	80.7	Confident	90.1	Very high	107 Å²	107	60.2 Å²	60.2	50%	0.5	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-67.8	130.2	176.7	-64	-172	-10.8	0	0	110.2	P215 N219	P215-Q217 PolarHBondContact O-N 3.01Å; Q217-N219 PolarHBondContact O-N 3.22Å
218	V	81.6	Confident	90	Very high	111 Å²	111	65.8 Å²	65.8	67%	0.673	37%	0.371	S	S	*	.			trans	-71.5	104.2	174.1	-177.2	0	0	0	0	108.6	P216 F220	P216-V218 PolarHBondContact O-N 3.35Å; V218-F220 HydrophobicContact CG1-CE1 4.03Å; V218-F220 HydrophobicContact CG1-CE2 4.49Å; V218-F220 HydrophobicContact CG1-CZ 3.99Å
219	N	83.9	Confident	90	Very high	111 Å²	111	65.9 Å²	65.9	59%	0.594	37%	0.373	S	S	*	.			trans	-113.3	119.3	173.6	-72	-37.1	0	0	0	109.2	Q217	Q217-N219 PolarHBondContact O-N 3.22Å
220	F	86.4	Confident	89.9	Confident	56 Å²	56	73.5 Å²	73.5	25%	0.246	40%	0.401	C	S	.	.			trans	-79.8	127.3	176.6	-62.5	-61.8	0	0	0	110.3	V218 I225 E233 H234 E237	V218-F220 HydrophobicContact CG1-CE1 4.03Å; V218-F220 HydrophobicContact CG1-CE2 4.49Å; V218-F220 HydrophobicContact CG1-CZ 3.99Å; F220-I225 HydrophobicContact CB-CD1 3.79Å; F220-I225 HydrophobicContact CB-CG1 3.8Å; F220-I225 WeakPolarHBondContact O-CD1 3.13Å; F220-E233 HydrophobicContact CE2-CB 4.07Å; F220-E233 HydrophobicContact CZ-CB 3.86Å; F220-H234 AromaticContact CD1-CD2 3.51Å; F220-H234 AromaticContact CD1-NE2 3.42Å; F220-H234 WeakPolarHBondContact CD1-NE2 3.29Å; F220-H234 AromaticContact CE1-CD2 3.65Å; F220-H234 AromaticContact CE1-NE2 3.53Å; F220-H234 AromaticContact CG-CD2 3.98Å; F220-E237 HydrophobicContact CD2-CB 4.41Å; F220-E237 HydrophobicContact CD2-CG 4.19Å
221	P	89.5	Confident	90	Very high	71 Å²	71	77.2 Å²	77.2	46%	0.461	42%	0.42	S	S	.	.			trans	-61.6	138.9	177.7	-24.3	34	0	0	0	112.4	C223 T224 I225	P221-C223 VanDerWaalsContact C-N 3.27Å; P221-C223 PolarHBondContact O-N 3.03Å; P221-T224 WeakPolarHBondContact O-CA 3.34Å; P221-T224 WeakPolarHBondContact O-CB 3.49Å; P221-T224 PolarHBondContact O-N 3.17Å; P221-I225 PolarHBondContact O-N 3.35Å; P221-I225 VanDerWaalsContact O-N 3.1Å
222	M	87.9	Confident	90.2	Very high	100 Å²	100	78 Å²	78	49%	0.493	43%	0.425	S	S	.	.	H	α-helix	trans	-56.9	-36.6	-178.8	-74.3	-58.2	-64.6	0	0	113.7	T224 I225 A226 M241 L242	M222-T224 VanDerWaalsContact C-N 3.3Å; M222-T224 PolarHBondContact O-N 3.38Å; M222-I225 PolarHBondContact O-N 3.18Å; M222-I225 HydrophobicContact SD-CD1 4.24Å; M222-A226 VanDerWaalsContact O-CB 3.29Å; M222-A226 WeakPolarHBondContact O-CB 3.47Å; M222-A226 PolarHBondContact O-N 3.03Å; M222-M241 HydrophobicContact SD-CE 4.14Å; M222-L242 HydrophobicContact CE-CD1 4.02Å; M222-L242 HydrophobicContact CE-CD2 3.83Å; M222-L242 HydrophobicContact CE-CG 4.18Å
223	C	89	Confident	90.5	Very high	86 Å²	86	75.4 Å²	75.4	58%	0.581	41%	0.413	S	S	*	.	H	α-helix	trans	-62.6	-36.8	175.6	58.1	0	0	0	0	112.4	P221 S227 M228	P221-C223 VanDerWaalsContact C-N 3.27Å; P221-C223 PolarHBondContact O-N 3.03Å; C223-S227 WeakPolarHBondContact O-CA 3.34Å; C223-S227 WeakPolarHBondContact O-CB 3.35Å; C223-S227 PolarHBondContact O-N 3.36Å; C223-M228 PolarHBondContact O-N 2.6Å
224	T	92.7	Very high	90.8	Very high	19 Å²	19	71.4 Å²	71.4	12%	0.117	39%	0.392	C	S	.	.	H	α-helix	trans	-69.2	-45.3	176.3	-57	0	0	0	0	110.9	P221 M222 M228 P229 H234	P221-T224 WeakPolarHBondContact O-CA 3.34Å; P221-T224 WeakPolarHBondContact O-CB 3.49Å; P221-T224 PolarHBondContact O-N 3.17Å; M222-T224 VanDerWaalsContact C-N 3.3Å; M222-T224 PolarHBondContact O-N 3.38Å; T224-M228 CarbonylContact O-C 3.59Å; T224-M228 PolarHBondContact O-N 3.38Å; T224-P229 WeakPolarHBondContact O-CA 3.3Å; T224-H234 WeakPolarHBondContact CG2-CE1 3.47Å; T224-H234 WeakPolarHBondContact CG2-ND1 3.39Å
225	I	91.9	Very high	91.1	Very high	0 Å²	0	69.1 Å²	69.1	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-63.9	-48	180	-61.1	174.2	0	0	0	111.1	F220 P221 M222 E237 Y238 M241 L242	F220-I225 HydrophobicContact CB-CD1 3.79Å; F220-I225 HydrophobicContact CB-CG1 3.8Å; F220-I225 WeakPolarHBondContact O-CD1 3.13Å; P221-I225 PolarHBondContact O-N 3.35Å; P221-I225 VanDerWaalsContact O-N 3.1Å; M222-I225 PolarHBondContact O-N 3.18Å; M222-I225 HydrophobicContact SD-CD1 4.24Å; I225-E237 HydrophobicContact CD1-CG 3.8Å; I225-E237 HydrophobicContact CG1-CG 4.49Å; I225-Y238 VanDerWaalsContact CG2-CA 3.42Å; I225-Y238 HydrophobicContact CG2-CD2 4.33Å; I225-M241 HydrophobicContact CD1-CE 3.21Å; I225-L242 HydrophobicContact CG2-CD1 4.39Å
226	A	91.2	Very high	91.5	Very high	37 Å²	37	65 Å²	65	31%	0.306	36%	0.356	S	S	.	.	H	α-helix	trans	-79.8	-38	-172.8	0	0	0	0	0	113.3	M222 L242 R274	M222-A226 VanDerWaalsContact O-CB 3.29Å; M222-A226 WeakPolarHBondContact O-CB 3.47Å; M222-A226 PolarHBondContact O-N 3.03Å; A226-L242 HydrophobicContact CB-CD1 4.15Å; A226-R274 PolarHBondContact O-NH2 2.93Å
227	S	92.4	Very high	92.1	Very high	79 Å²	79	59.8 Å²	59.8	55%	0.552	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.4	-31.4	-164.5	-52.4	0	0	0	0	114.8	C223	C223-S227 WeakPolarHBondContact O-CA 3.34Å; C223-S227 WeakPolarHBondContact O-CB 3.35Å; C223-S227 PolarHBondContact O-N 3.36Å
228	M	94.6	Very high	92.9	Very high	117 Å²	117	57 Å²	57	58%	0.576	31%	0.306	S	S	*	.			trans	-134.9	59.3	-173.3	-60	179.1	73.9	0	0	112.2	C223 T224 R230	C223-M228 PolarHBondContact O-N 2.6Å; T224-M228 CarbonylContact O-C 3.59Å; T224-M228 PolarHBondContact O-N 3.38Å; M228-R230 WeakPolarHBondContact O-CG 3.14Å
229	P	95.8	Very high	93.7	Very high	11 Å²	11	51.7 Å²	51.7	7%	0.071	27%	0.274	C	S	.	.			trans	-65	148.7	177.5	31.3	-36.6	0	0	0	109.9	T224 H234 Y278 I280	T224-P229 WeakPolarHBondContact O-CA 3.3Å; P229-H234 HydrophobicContact CB-CB 3.84Å; P229-Y278 HydrophobicContact CG-CD1 3.52Å; P229-Y278 HydrophobicContact CG-CD2 3.64Å; P229-Y278 HydrophobicContact CG-CE1 3.72Å; P229-Y278 HydrophobicContact CG-CE2 3.87Å; P229-Y278 HydrophobicContact CG-CG 3.47Å; P229-Y278 VanDerWaalsContact CG-CG 3.47Å; P229-I280 HydrophobicContact CB-CD1 3.75Å; P229-I280 HydrophobicContact CG-CD1 4.08Å
230	R	95.3	Very high	94.3	Very high	166 Å²	166	49.1 Å²	49.1	63%	0.626	26%	0.256	S	S	*	.			trans	-141.9	-35.1	-174.2	-51.8	-178.1	-157.6	172.2	3.7	112	M228 H234	M228-R230 WeakPolarHBondContact O-CG 3.14Å; R230-H234 PolarHBondContact N-ND1 3.19Å; R230-H234 VanDerWaalsContact N-ND1 3.12Å
231	L	96.7	Very high	94.7	Very high	85 Å²	85	49.7 Å²	49.7	45%	0.445	26%	0.26	S	S	.	.	S	Bend	trans	-106.5	151.2	177.1	-57.2	179.3	0	0	0	109.8	E233 H234	L231-E233 VanDerWaalsContact CB-OE2 3.29Å; L231-E233 WeakPolarHBondContact CB-OE2 3.33Å; L231-E233 PolarHBondContact O-N 3.07Å; L231-H234 PolarHBondContact N-ND1 3.32Å; L231-H234 WeakPolarHBondContact O-CB 3.17Å; L231-H234 PolarHBondContact O-N 3.21Å
232	P	97.7	Very high	94.9	Very high	20 Å²	20	49.2 Å²	49.2	13%	0.13	25%	0.253	C	S	.	.	H	α-helix	trans	-58.4	-30.1	176.7	22.9	-32.5	0	0	0	112.7	H234 C235 I236 I280 V283 L287	P232-H234 VanDerWaalsContact C-N 3.29Å; P232-H234 PolarHBondContact O-N 3.43Å; P232-C235 WeakPolarHBondContact O-CB 3.48Å; P232-C235 PolarHBondContact O-N 3.36Å; P232-I236 PolarHBondContact O-N 3.33Å; P232-I280 HydrophobicContact CB-CG2 4.24Å; P232-V283 HydrophobicContact CB-CB 4.47Å; P232-V283 HydrophobicContact CB-CG2 3.61Å; P232-L287 HydrophobicContact CB-CD2 3.71Å; P232-L287 HydrophobicContact CG-CD2 3.65Å
233	E	97.3	Very high	95.4	Very high	55 Å²	55	45.5 Å²	45.5	26%	0.257	24%	0.235	S	C	.	.	H	α-helix	trans	-59.9	-37.4	173.6	-63.8	84.5	168.6	0	0	112	F220 L231 C235 I236 E237 L287 V291	F220-E233 HydrophobicContact CE2-CB 4.07Å; F220-E233 HydrophobicContact CZ-CB 3.86Å; L231-E233 VanDerWaalsContact CB-OE2 3.29Å; L231-E233 WeakPolarHBondContact CB-OE2 3.33Å; L231-E233 PolarHBondContact O-N 3.07Å; E233-C235 VanDerWaalsContact C-N 3.27Å; E233-C235 PolarHBondContact O-N 3.29Å; E233-I236 PolarHBondContact O-N 3.02Å; E233-E237 VanDerWaalsContact O-CB 3.29Å; E233-E237 WeakPolarHBondContact O-CB 3.42Å; E233-E237 PolarHBondContact O-N 3.37Å; E233-L287 HydrophobicContact CG-CD1 4.1Å; E233-L287 HydrophobicContact CG-CD2 4.45Å; E233-V291 HydrophobicContact CB-CG2 4.02Å; E233-V291 HydrophobicContact CG-CG2 3.73Å
234	H	97.5	Very high	95.8	Very high	13 Å²	13	41.9 Å²	41.9	6%	0.06	21%	0.209	C	C	.	.	H	α-helix	trans	-64.3	-35.4	178.2	-57.6	171.9	0	0	0	111.4	F220 T224 P229 R230 L231 P232 Y238	F220-H234 AromaticContact CD1-CD2 3.51Å; F220-H234 AromaticContact CD1-NE2 3.42Å; F220-H234 WeakPolarHBondContact CD1-NE2 3.29Å; F220-H234 AromaticContact CE1-CD2 3.65Å; F220-H234 AromaticContact CE1-NE2 3.53Å; F220-H234 AromaticContact CG-CD2 3.98Å; T224-H234 WeakPolarHBondContact CG2-CE1 3.47Å; T224-H234 WeakPolarHBondContact CG2-ND1 3.39Å; P229-H234 HydrophobicContact CB-CB 3.84Å; R230-H234 PolarHBondContact N-ND1 3.19Å; R230-H234 VanDerWaalsContact N-ND1 3.12Å; L231-H234 PolarHBondContact N-ND1 3.32Å; L231-H234 WeakPolarHBondContact O-CB 3.17Å; L231-H234 PolarHBondContact O-N 3.21Å; P232-H234 VanDerWaalsContact C-N 3.29Å; P232-H234 PolarHBondContact O-N 3.43Å; H234-Y238 WeakPolarHBondContact O-CB 3.45Å; H234-Y238 PolarHBondContact O-N 3.05Å
235	C	97.9	Very high	95.9	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-68.1	-44	176.8	-59.1	0	0	0	0	111	P232 E233 Y238 V239 R274 A275	P232-C235 WeakPolarHBondContact O-CB 3.48Å; P232-C235 PolarHBondContact O-N 3.36Å; E233-C235 VanDerWaalsContact C-N 3.27Å; E233-C235 PolarHBondContact O-N 3.29Å; C235-Y238 WeakPolarHBondContact O-CB 3.15Å; C235-Y238 PolarHBondContact O-N 2.79Å; C235-V239 WeakPolarHBondContact O-CG2 3.24Å; C235-V239 PolarHBondContact O-N 2.97Å; C235-R274 HydrophobicContact CB-CB 4.39Å; C235-R274 HydrophobicContact CB-CG 4.14Å; C235-A275 HydrophobicContact CB-CB 4.17Å
236	I	98.1	Very high	96.1	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-64.9	-44.9	177.8	-62.8	155.9	0	0	0	110.8	P232 E233 Y238 V239 R240 I267 S271 V283 L287 T288 V291 V292	P232-I236 PolarHBondContact O-N 3.33Å; E233-I236 PolarHBondContact O-N 3.02Å; I236-Y238 VanDerWaalsContact C-N 3.29Å; I236-Y238 PolarHBondContact O-N 2.98Å; I236-V239 PolarHBondContact O-N 3.16Å; I236-V239 VanDerWaalsContact O-N 3.12Å; I236-R240 WeakPolarHBondContact O-CB 3.08Å; I236-R240 PolarHBondContact O-N 2.93Å; I236-I267 HydrophobicContact CG2-CG2 4.08Å; I236-S271 WeakPolarHBondContact CA-OG 3.11Å; I236-V283 HydrophobicContact CG1-CG1 4.45Å; I236-L287 HydrophobicContact CD1-CB 4.31Å; I236-L287 HydrophobicContact CD1-CD2 3.98Å; I236-L287 HydrophobicContact CD1-CG 3.76Å; I236-T288 HydrophobicContact CG2-CG2 4.08Å; I236-V291 HydrophobicContact CB-CB 4.28Å; I236-V291 HydrophobicContact CB-CG1 4.11Å; I236-V291 HydrophobicContact CB-CG2 4.48Å; I236-V291 HydrophobicContact CD1-CG2 4.12Å; I236-V291 HydrophobicContact CG2-CB 3.73Å; I236-V291 HydrophobicContact CG2-CG1 3.68Å; I236-V291 HydrophobicContact CG2-CG2 4.41Å; I236-V292 HydrophobicContact CG2-CG2 4.2Å
237	E	96.7	Very high	96.4	Very high	11 Å²	11	55.7 Å²	55.7	5%	0.051	27%	0.27	C	S	.	.	H	α-helix	trans	-65.5	-33.9	-179.2	-165.8	71.4	169	0	0	111.9	F220 I225 E233 R240 M241 V291	F220-E237 HydrophobicContact CD2-CB 4.41Å; F220-E237 HydrophobicContact CD2-CG 4.19Å; I225-E237 HydrophobicContact CD1-CG 3.8Å; I225-E237 HydrophobicContact CG1-CG 4.49Å; E233-E237 VanDerWaalsContact O-CB 3.29Å; E233-E237 WeakPolarHBondContact O-CB 3.42Å; E233-E237 PolarHBondContact O-N 3.37Å; E237-R240 IonicContact OE1-NH1 3.78Å; E237-R240 PolarHBondContact OE1-NH1 2.86Å; E237-R240 IonicContact OE2-CZ 3.42Å; E237-R240 IonicContact OE2-NH1 3.36Å; E237-R240 PolarHBondContact OE2-NH1 3.27Å; E237-M241 HydrophobicContact CG-CE 3.53Å; E237-M241 HydrophobicContact CG-CG 4.2Å; E237-M241 HydrophobicContact CG-SD 4.34Å; E237-M241 WeakPolarHBondContact O-CB 3.41Å; E237-M241 WeakPolarHBondContact O-CG 3.23Å; E237-M241 PolarHBondContact O-N 3.35Å; E237-V291 HydrophobicContact CB-CG1 4.43Å; E237-V291 WeakPolarHBondContact OE2-CG1 3.43Å
238	Y	97.9	Very high	96.5	Very high	49 Å²	49	55.4 Å²	55.4	19%	0.192	26%	0.26	C	S	.	.	H	α-helix	trans	-59.9	-48.6	170.6	171.6	-89.8	0	0	0	111.6	I225 H234 C235 I236 L242 Q243 R274	I225-Y238 VanDerWaalsContact CG2-CA 3.42Å; I225-Y238 HydrophobicContact CG2-CD2 4.33Å; H234-Y238 WeakPolarHBondContact O-CB 3.45Å; H234-Y238 PolarHBondContact O-N 3.05Å; C235-Y238 WeakPolarHBondContact O-CB 3.15Å; C235-Y238 PolarHBondContact O-N 2.79Å; I236-Y238 VanDerWaalsContact C-N 3.29Å; I236-Y238 PolarHBondContact O-N 2.98Å; Y238-L242 HydrophobicContact CD2-CB 4.28Å; Y238-L242 HydrophobicContact CD2-CD1 3.75Å; Y238-L242 HydrophobicContact CE2-CB 4.22Å; Y238-L242 HydrophobicContact CE2-CD1 3.91Å; Y238-L242 WeakPolarHBondContact O-CA 3.24Å; Y238-L242 WeakPolarHBondContact O-CB 3.43Å; Y238-L242 PolarHBondContact O-N 3.16Å; Y238-Q243 HydrophobicContact CD1-CB 4.43Å; Y238-Q243 HydrophobicContact CE1-CB 4.01Å; Y238-Q243 HydrophobicContact CE1-CG 4.5Å; Y238-Q243 PolarHBondContact O-N 2.94Å; Y238-Q243 VanDerWaalsContact O-N 3.09Å; Y238-R274 HydrophobicContact CD1-CG 4.06Å
239	V	97.7	Very high	96.6	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.245	C	C	.	.	I	π-helix	trans	-63.8	-46.2	-178.2	175.6	0	0	0	0	110.2	C235 I236 Q243 W244 W266 I267 K270	C235-V239 WeakPolarHBondContact O-CG2 3.24Å; C235-V239 PolarHBondContact O-N 2.97Å; I236-V239 PolarHBondContact O-N 3.16Å; I236-V239 VanDerWaalsContact O-N 3.12Å; V239-Q243 HydrophobicContact CG1-CB 4.5Å; V239-Q243 PolarHBondContact O-N 2.89Å; V239-W244 WeakPolarHBondContact O-CB 3.47Å; V239-W244 PolarHBondContact O-N 2.89Å; V239-W266 HydrophobicContact CG1-CE3 4.24Å; V239-W266 HydrophobicContact CG1-CH2 4.37Å; V239-W266 HydrophobicContact CG1-CZ3 3.61Å; V239-I267 HydrophobicContact CB-CG2 4.21Å; V239-I267 HydrophobicContact CG1-CB 4.15Å; V239-I267 HydrophobicContact CG1-CG1 4.11Å; V239-I267 HydrophobicContact CG1-CG2 3.86Å; V239-K270 HydrophobicContact CB-CB 4.43Å; V239-K270 HydrophobicContact CG1-CB 3.66Å; V239-K270 HydrophobicContact CG1-CG 4.49Å; V239-K270 HydrophobicContact CG2-CB 3.8Å
240	R	95.9	Very high	96.7	Very high	57 Å²	57	54.8 Å²	54.8	22%	0.215	26%	0.257	C	S	.	.	I	π-helix	trans	-62.4	-49.8	178.7	166.3	170.5	167.9	-81.2	-13.6	113	I236 E237 L256 I267	I236-R240 WeakPolarHBondContact O-CB 3.08Å; I236-R240 PolarHBondContact O-N 2.93Å; E237-R240 IonicContact OE1-NH1 3.78Å; E237-R240 PolarHBondContact OE1-NH1 2.86Å; E237-R240 IonicContact OE2-CZ 3.42Å; E237-R240 IonicContact OE2-NH1 3.36Å; E237-R240 PolarHBondContact OE2-NH1 3.27Å; R240-L256 HydrophobicContact CB-CD2 4.29Å; R240-L256 HydrophobicContact CG-CD2 3.69Å; R240-I267 HydrophobicContact CB-CD1 4.44Å
241	M	94.2	Very high	96.6	Very high	67 Å²	67	48.5 Å²	48.5	33%	0.33	24%	0.244	S	C	.	.	I	π-helix	trans	-90.3	-29.4	-169.7	-65.9	-151.6	-67.3	0	0	114.4	M222 I225 E237 P245	M222-M241 HydrophobicContact SD-CE 4.14Å; I225-M241 HydrophobicContact CD1-CE 3.21Å; E237-M241 HydrophobicContact CG-CE 3.53Å; E237-M241 HydrophobicContact CG-CG 4.2Å; E237-M241 HydrophobicContact CG-SD 4.34Å; E237-M241 WeakPolarHBondContact O-CB 3.41Å; E237-M241 WeakPolarHBondContact O-CG 3.23Å; E237-M241 PolarHBondContact O-N 3.35Å; M241-P245 WeakPolarHBondContact O-CG 3.46Å
242	L	95.3	Very high	96.5	Very high	61 Å²	61	52.7 Å²	52.7	32%	0.319	26%	0.261	S	S	.	.	I	π-helix	trans	-114.7	-49.2	-173.9	-68	175.7	0	0	0	112.3	M222 I225 A226 Y238 K246	M222-L242 HydrophobicContact CE-CD1 4.02Å; M222-L242 HydrophobicContact CE-CD2 3.83Å; M222-L242 HydrophobicContact CE-CG 4.18Å; I225-L242 HydrophobicContact CG2-CD1 4.39Å; A226-L242 HydrophobicContact CB-CD1 4.15Å; Y238-L242 HydrophobicContact CD2-CB 4.28Å; Y238-L242 HydrophobicContact CD2-CD1 3.75Å; Y238-L242 HydrophobicContact CE2-CB 4.22Å; Y238-L242 HydrophobicContact CE2-CD1 3.91Å; Y238-L242 WeakPolarHBondContact O-CA 3.24Å; Y238-L242 WeakPolarHBondContact O-CB 3.43Å; Y238-L242 PolarHBondContact O-N 3.16Å; L242-K246 VanDerWaalsContact O-CB 3.3Å; L242-K246 WeakPolarHBondContact O-CB 3.41Å; L242-K246 PolarHBondContact O-N 2.85Å
243	Q	96.9	Very high	96.3	Very high	22 Å²	22	54.7 Å²	54.7	10%	0.103	29%	0.286	C	S	.	.	I	π-helix	trans	-74.1	-42.1	-173.7	-162	171.9	-9.4	0	0	112.1	Y238 V239 K246 E247 W266	Y238-Q243 HydrophobicContact CD1-CB 4.43Å; Y238-Q243 HydrophobicContact CE1-CB 4.01Å; Y238-Q243 HydrophobicContact CE1-CG 4.5Å; Y238-Q243 PolarHBondContact O-N 2.94Å; Y238-Q243 VanDerWaalsContact O-N 3.09Å; V239-Q243 HydrophobicContact CG1-CB 4.5Å; V239-Q243 PolarHBondContact O-N 2.89Å; Q243-K246 PolarHBondContact O-N 3.35Å; Q243-E247 HydrophobicContact CG-CG 4.19Å; Q243-E247 WeakPolarHBondContact CG-OE1 3.22Å; Q243-E247 PolarHBondContact NE2-OE1 3.47Å; Q243-E247 WeakPolarHBondContact O-CB 3.38Å; Q243-E247 PolarHBondContact O-N 3.01Å; Q243-W266 HydrophobicContact CG-CH2 4.27Å
244	W	97.7	Very high	96.2	Very high	11 Å²	11	54.9 Å²	54.9	4%	0.042	29%	0.29	C	S	.	.	H	α-helix	trans	-59.6	-53.7	179.1	177.3	-71.2	0	0	0	112.6	V239 K246 E247 Q248 P249 F250 L256 H263 W266 I267	V239-W244 WeakPolarHBondContact O-CB 3.47Å; V239-W244 PolarHBondContact O-N 2.89Å; W244-K246 PolarHBondContact O-N 2.98Å; W244-K246 VanDerWaalsContact O-N 3.16Å; W244-E247 PolarHBondContact O-N 3.13Å; W244-Q248 PolarHBondContact O-N 3.44Å; W244-P249 HydrophobicContact CD2-CG 3.89Å; W244-P249 HydrophobicContact CE3-CG 3.57Å; W244-P249 HydrophobicContact CH2-CG 3.92Å; W244-P249 HydrophobicContact CZ2-CG 4.23Å; W244-P249 HydrophobicContact CZ3-CG 3.58Å; W244-F250 AromaticContact CH2-CD2 3.45Å; W244-F250 HydrophobicContact CH2-CD2 3.45Å; W244-F250 VanDerWaalsContact CH2-CD2 3.45Å; W244-F250 AromaticContact CH2-CE2 3.78Å; W244-F250 HydrophobicContact CH2-CE2 3.78Å; W244-F250 HydrophobicContact CZ2-CD2 4.21Å; W244-F250 HydrophobicContact CZ3-CD2 4.02Å; W244-F250 AromaticContact CZ3-CE2 3.96Å; W244-F250 HydrophobicContact CZ3-CE2 3.96Å; W244-L256 HydrophobicContact CD2-CB 3.98Å; W244-L256 HydrophobicContact CD2-CD1 4.1Å; W244-L256 HydrophobicContact CD2-CG 4.49Å; W244-L256 HydrophobicContact CE3-CD1 3.86Å; W244-L256 HydrophobicContact CG-CB 4.26Å; W244-L256 HydrophobicContact CH2-CD1 3.86Å; W244-L256 HydrophobicContact CZ2-CB 4.07Å; W244-L256 HydrophobicContact CZ2-CD1 4.09Å; W244-L256 HydrophobicContact CZ3-CD1 3.73Å; W244-H263 HydrophobicContact CH2-CB 3.79Å; W244-H263 AromaticContact CH2-CD2 3.6Å; W244-H263 AromaticContact CH2-CE1 3.87Å; W244-H263 AromaticContact CH2-CG 3.41Å; W244-H263 VanDerWaalsContact CH2-CG 3.41Å; W244-H263 AromaticContact CH2-ND1 3.61Å; W244-H263 AromaticContact CH2-NE2 3.83Å; W244-H263 AromaticContact CZ2-CE1 3.98Å; W244-H263 AromaticContact CZ2-ND1 3.97Å; W244-H263 HydrophobicContact CZ3-CB 4.06Å; W244-W266 HydrophobicContact CB-CZ3 4.32Å; W244-W266 AromaticContact CE3-CE3 3.63Å; W244-W266 HydrophobicContact CE3-CE3 3.63Å; W244-W266 AromaticContact CE3-CZ3 3.71Å; W244-W266 HydrophobicContact CE3-CZ3 3.71Å; W244-W266 HydrophobicContact CZ3-CD2 4.47Å; W244-W266 AromaticContact CZ3-CE3 3.89Å; W244-W266 HydrophobicContact CZ3-CE3 3.89Å; W244-W266 HydrophobicContact CZ3-CZ3 4.42Å; W244-I267 HydrophobicContact CE3-CD1 4.18Å; W244-I267 HydrophobicContact CE3-CG1 3.99Å; W244-I267 HydrophobicContact CZ3-CG1 4.28Å
245	P	95.7	Very high	96.2	Very high	76 Å²	76	59 Å²	59	49%	0.494	32%	0.318	S	S	.	.	H	α-helix	trans	-63.1	-24.3	178.7	-23.9	36.4	0	0	0	113.5	M241	M241-P245 WeakPolarHBondContact O-CG 3.46Å
246	K	96.1	Very high	96.1	Very high	173 Å²	173	61.1 Å²	61.1	75%	0.752	33%	0.33	S	S	*	.	H	α-helix	trans	-81.5	-41.8	179.8	-175.6	-178.3	178.4	-175	0	113.2	L242 Q243 W244	L242-K246 VanDerWaalsContact O-CB 3.3Å; L242-K246 WeakPolarHBondContact O-CB 3.41Å; L242-K246 PolarHBondContact O-N 2.85Å; Q243-K246 PolarHBondContact O-N 3.35Å; W244-K246 PolarHBondContact O-N 2.98Å; W244-K246 VanDerWaalsContact O-N 3.16Å
247	E	96.6	Very high	95.9	Very high	97 Å²	97	64.7 Å²	64.7	45%	0.453	35%	0.349	S	S	.	.	H	α-helix	trans	-94.4	-20.9	-174.8	-69.4	-178.1	-159.7	0	0	113.1	Q243 W244 W266	Q243-E247 HydrophobicContact CG-CG 4.19Å; Q243-E247 WeakPolarHBondContact CG-OE1 3.22Å; Q243-E247 PolarHBondContact NE2-OE1 3.47Å; Q243-E247 WeakPolarHBondContact O-CB 3.38Å; Q243-E247 PolarHBondContact O-N 3.01Å; W244-E247 PolarHBondContact O-N 3.13Å; E247-W266 HydrophobicContact CB-CZ2 4.47Å; E247-W266 WeakPolarHBondContact OE2-CZ2 3.47Å
248	Q	95.7	Very high	95.8	Very high	73 Å²	73	64.9 Å²	64.9	34%	0.341	35%	0.354	S	S	.	.			trans	45.2	59.4	178.4	-61.9	-178.5	-30.2	0	0	112.7	W244 F250 G251	W244-Q248 PolarHBondContact O-N 3.44Å; Q248-F250 PolarHBondContact O-N 3.42Å; Q248-G251 PolarHBondContact O-N 2.93Å
249	P	96	Very high	95.5	Very high	41 Å²	41	67.1 Å²	67.1	27%	0.266	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-21.6	-161.4	20.2	-31.2	0	0	0	115.8	W244 W266	W244-P249 HydrophobicContact CD2-CG 3.89Å; W244-P249 HydrophobicContact CE3-CG 3.57Å; W244-P249 HydrophobicContact CH2-CG 3.92Å; W244-P249 HydrophobicContact CZ2-CG 4.23Å; W244-P249 HydrophobicContact CZ3-CG 3.58Å; P249-W266 HydrophobicContact CB-CD2 3.85Å; P249-W266 HydrophobicContact CB-CE3 4.48Å; P249-W266 HydrophobicContact CB-CG 4.19Å; P249-W266 HydrophobicContact CB-CH2 4.33Å; P249-W266 HydrophobicContact CB-CZ2 3.66Å; P249-W266 HydrophobicContact CG-CD2 3.77Å; P249-W266 HydrophobicContact CG-CE3 3.91Å; P249-W266 HydrophobicContact CG-CG 4.41Å; P249-W266 HydrophobicContact CG-CH2 3.89Å; P249-W266 HydrophobicContact CG-CZ2 3.74Å; P249-W266 HydrophobicContact CG-CZ3 3.98Å
250	F	97	Very high	95.4	Very high	74 Å²	74	69.2 Å²	69.2	33%	0.325	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.5	16	-179.1	-65.8	-97	0	0	0	112.7	W244 Q248 V254 E262 H263 W266	W244-F250 AromaticContact CH2-CD2 3.45Å; W244-F250 HydrophobicContact CH2-CD2 3.45Å; W244-F250 VanDerWaalsContact CH2-CD2 3.45Å; W244-F250 AromaticContact CH2-CE2 3.78Å; W244-F250 HydrophobicContact CH2-CE2 3.78Å; W244-F250 HydrophobicContact CZ2-CD2 4.21Å; W244-F250 HydrophobicContact CZ3-CD2 4.02Å; W244-F250 AromaticContact CZ3-CE2 3.96Å; W244-F250 HydrophobicContact CZ3-CE2 3.96Å; Q248-F250 PolarHBondContact O-N 3.42Å; F250-V254 HydrophobicContact CB-CG1 4.29Å; F250-V254 WeakPolarHBondContact O-CG2 3.43Å; F250-E262 HydrophobicContact CE1-CB 3.92Å; F250-E262 HydrophobicContact CZ-CB 4.01Å; F250-H263 AromaticContact CD1-CD2 3.9Å; F250-H263 AromaticContact CD1-NE2 3.99Å; F250-H263 AromaticContact CD2-CD2 3.47Å; F250-H263 VanDerWaalsContact CD2-CD2 3.47Å; F250-H263 WeakPolarHBondContact CD2-CD2 3.45Å; F250-H263 AromaticContact CD2-NE2 3.71Å; F250-H263 AromaticContact CE1-CD2 3.92Å; F250-H263 AromaticContact CE2-CD2 3.53Å; F250-H263 AromaticContact CG-CD2 3.68Å; F250-H263 AromaticContact CG-NE2 3.58Å; F250-H263 AromaticContact CZ-CD2 3.76Å; F250-W266 HydrophobicContact CE2-CB 3.89Å; F250-W266 HydrophobicContact CE2-CG 4.12Å; F250-W266 HydrophobicContact CZ-CB 4.15Å
251	G	94.8	Very high	95.3	Very high	34 Å²	34	70.7 Å²	70.7	35%	0.351	40%	0.397	S	S	.	.	S	Bend	trans	118.1	154.1	178.3	0	0	0	0	0	113.4	Q248 G253 V254	Q248-G251 PolarHBondContact O-N 2.93Å; G251-G253 PolarHBondContact O-N 2.63Å; G251-V254 PolarHBondContact O-N 3.21Å
252	E	94.8	Very high	95.5	Very high	172 Å²	172	73.7 Å²	73.7	80%	0.804	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	128.4	-179.3	-178	171.9	-170.3	0	0	111.2	V254	E252-V254 VanDerWaalsContact C-N 3.28Å; E252-V254 PolarHBondContact O-N 2.81Å
253	G	93.2	Very high	95.6	Very high	63 Å²	63	71.3 Å²	71.3	65%	0.649	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.3	-4.1	179.8	0	0	0	0	0	115.6	G251 P255	G251-G253 PolarHBondContact O-N 2.63Å; G253-P255 VanDerWaalsContact O-CD 3.3Å; G253-P255 WeakPolarHBondContact O-CD 3.48Å
254	V	95.6	Very high	95.7	Very high	58 Å²	58	70.3 Å²	70.3	35%	0.352	39%	0.393	S	S	.	.			trans	-71.6	115.6	176.3	-179.4	0	0	0	0	109.7	F250 G251 E252	F250-V254 HydrophobicContact CB-CG1 4.29Å; F250-V254 WeakPolarHBondContact O-CG2 3.43Å; G251-V254 PolarHBondContact O-N 3.21Å; E252-V254 VanDerWaalsContact C-N 3.28Å; E252-V254 PolarHBondContact O-N 2.81Å
255	P	95.5	Very high	95.7	Very high	100 Å²	100	74 Å²	74	65%	0.649	41%	0.41	S	S	*	.			trans	-70.4	156.5	179.4	30.5	-34.5	0	0	0	110.8	G253 D257	G253-P255 VanDerWaalsContact O-CD 3.3Å; G253-P255 WeakPolarHBondContact O-CD 3.48Å; P255-D257 PolarHBondContact O-N 3.43Å
256	L	96.6	Very high	95.8	Very high	45 Å²	45	72.7 Å²	72.7	24%	0.236	40%	0.396	C	S	.	.			trans	-66.4	108.6	169.8	172.1	57.7	0	0	0	109.7	R240 W244 H263 I267 V292	R240-L256 HydrophobicContact CB-CD2 4.29Å; R240-L256 HydrophobicContact CG-CD2 3.69Å; W244-L256 HydrophobicContact CD2-CB 3.98Å; W244-L256 HydrophobicContact CD2-CD1 4.1Å; W244-L256 HydrophobicContact CD2-CG 4.49Å; W244-L256 HydrophobicContact CE3-CD1 3.86Å; W244-L256 HydrophobicContact CG-CB 4.26Å; W244-L256 HydrophobicContact CH2-CD1 3.86Å; W244-L256 HydrophobicContact CZ2-CB 4.07Å; W244-L256 HydrophobicContact CZ2-CD1 4.09Å; W244-L256 HydrophobicContact CZ3-CD1 3.73Å; L256-H263 HydrophobicContact CD1-CB 3.99Å; L256-I267 HydrophobicContact CD1-CD1 3.42Å; L256-I267 VanDerWaalsContact CD1-CD1 3.42Å; L256-I267 HydrophobicContact CD1-CG1 4.41Å; L256-I267 HydrophobicContact CD2-CD1 3.49Å; L256-I267 VanDerWaalsContact CD2-CD1 3.49Å; L256-I267 HydrophobicContact CG-CD1 4.09Å; L256-V292 HydrophobicContact CD2-CG1 4Å; L256-V292 HydrophobicContact CG-CG1 4.45Å
257	D	94.9	Very high	95.9	Very high	75 Å²	75	64.5 Å²	64.5	40%	0.401	36%	0.36	S	S	.	.			trans	-83.8	119.6	164	-171.1	-6.3	0	0	0	110.2	P255 D259 D260 H263	P255-D257 PolarHBondContact O-N 3.43Å; D257-D259 VanDerWaalsContact C-N 3.3Å; D257-D259 PolarHBondContact OD1-N 3.38Å; D257-D260 HydrophobicContact CB-CB 3.83Å; D257-H263 WeakPolarHBondContact CB-ND1 2.99Å; D257-H263 PolarHBondContact N-ND1 3.41Å; D257-H263 WeakPolarHBondContact O-CB 3.35Å; D257-H263 PolarHBondContact O-ND1 2.84Å
258	G	93.8	Very high	96	Very high	15 Å²	15	61.5 Å²	61.5	16%	0.155	35%	0.346	C	S	.	.	S	Bend	trans	-78.1	-14.8	177.8	0	0	0	0	0	113.7	I264 K293	G258-I264 WeakPolarHBondContact O-CD1 3.43Å; G258-I264 WeakPolarHBondContact O-CG1 3.35Å; G258-K293 VanDerWaalsContact O-CD 3.31Å; G258-K293 WeakPolarHBondContact O-CD 3.31Å; G258-K293 WeakPolarHBondContact O-CG 3.42Å
259	D	91.4	Very high	96.2	Very high	95 Å²	95	62.4 Å²	62.4	51%	0.508	35%	0.35	S	S	.	.	S	Bend	trans	-94.8	-15	178.1	-69.6	-58.4	0	0	0	112.8	D257 P261 K293	D257-D259 VanDerWaalsContact C-N 3.3Å; D257-D259 PolarHBondContact OD1-N 3.38Å; D259-P261 VanDerWaalsContact O-CD 3.27Å; D259-P261 WeakPolarHBondContact O-CD 3.32Å; D259-K293 VanDerWaalsContact OD1-CE 3.23Å; D259-K293 WeakPolarHBondContact OD1-CE 3.48Å; D259-K293 IonicContact OD1-NZ 2.85Å; D259-K293 PolarHBondContact OD1-NZ 3.38Å
260	D	94.9	Very high	96.3	Very high	45 Å²	45	62.6 Å²	62.6	24%	0.241	35%	0.346	C	S	.	.			trans	-73.2	116.4	173.9	-174	-46.7	0	0	0	111.1	D257 E262 H263 I264	D257-D260 HydrophobicContact CB-CB 3.83Å; D260-E262 VanDerWaalsContact C-N 3.29Å; D260-E262 PolarHBondContact O-N 3.45Å; D260-E262 WeakPolarHBondContact OD1-CA 3.2Å; D260-E262 VanDerWaalsContact OD1-CB 3.28Å; D260-E262 WeakPolarHBondContact OD1-CB 3.42Å; D260-E262 PolarHBondContact OD1-N 2.82Å; D260-H263 HydrophobicContact CB-CB 3.9Å; D260-H263 PolarHBondContact O-N 3.38Å; D260-H263 IonicContact OD1-CD2 3.9Å; D260-H263 IonicContact OD1-CG 3.16Å; D260-H263 PolarHBondContact OD1-N 3.04Å; D260-H263 VanDerWaalsContact OD1-N 3.09Å; D260-H263 IonicContact OD2-CD2 2.89Å; D260-H263 IonicContact OD2-NE2 2.79Å; D260-I264 WeakPolarHBondContact O-CG1 3.47Å; D260-I264 PolarHBondContact O-N 3.02Å; D260-I264 VanDerWaalsContact O-N 3.11Å
261	P	95.3	Very high	96.3	Very high	87 Å²	87	59 Å²	59	57%	0.565	33%	0.331	S	S	*	.	H	α-helix	trans	-62	-32.1	-179.6	-24	35.7	0	0	0	114.2	D259 Q265	D259-P261 VanDerWaalsContact O-CD 3.27Å; D259-P261 WeakPolarHBondContact O-CD 3.32Å; P261-Q265 WeakPolarHBondContact O-CB 3.42Å; P261-Q265 PolarHBondContact O-N 2.82Å
262	E	97.4	Very high	96.5	Very high	130 Å²	130	60.5 Å²	60.5	61%	0.607	33%	0.33	S	S	*	.	H	α-helix	trans	-72	-41.9	179.1	-58.7	-170.9	-176.1	0	0	110.8	F250 D260 Q265 W266	F250-E262 HydrophobicContact CE1-CB 3.92Å; F250-E262 HydrophobicContact CZ-CB 4.01Å; D260-E262 VanDerWaalsContact C-N 3.29Å; D260-E262 PolarHBondContact O-N 3.45Å; D260-E262 WeakPolarHBondContact OD1-CA 3.2Å; D260-E262 VanDerWaalsContact OD1-CB 3.28Å; D260-E262 WeakPolarHBondContact OD1-CB 3.42Å; D260-E262 PolarHBondContact OD1-N 2.82Å; E262-Q265 PolarHBondContact O-N 2.86Å; E262-W266 WeakPolarHBondContact O-CB 3.5Å; E262-W266 PolarHBondContact O-N 3.29Å
263	H	98.1	Very high	96.7	Very high	11 Å²	11	56 Å²	56	5%	0.051	31%	0.309	C	S	.	.	H	α-helix	trans	-59.3	-48.7	173.9	-71	-169.9	0	0	0	111.5	W244 F250 L256 D257 D260 Q265 W266 I267	W244-H263 HydrophobicContact CH2-CB 3.79Å; W244-H263 AromaticContact CH2-CD2 3.6Å; W244-H263 AromaticContact CH2-CE1 3.87Å; W244-H263 AromaticContact CH2-CG 3.41Å; W244-H263 VanDerWaalsContact CH2-CG 3.41Å; W244-H263 AromaticContact CH2-ND1 3.61Å; W244-H263 AromaticContact CH2-NE2 3.83Å; W244-H263 AromaticContact CZ2-CE1 3.98Å; W244-H263 AromaticContact CZ2-ND1 3.97Å; W244-H263 HydrophobicContact CZ3-CB 4.06Å; F250-H263 AromaticContact CD1-CD2 3.9Å; F250-H263 AromaticContact CD1-NE2 3.99Å; F250-H263 AromaticContact CD2-CD2 3.47Å; F250-H263 VanDerWaalsContact CD2-CD2 3.47Å; F250-H263 WeakPolarHBondContact CD2-CD2 3.45Å; F250-H263 AromaticContact CD2-NE2 3.71Å; F250-H263 AromaticContact CE1-CD2 3.92Å; F250-H263 AromaticContact CE2-CD2 3.53Å; F250-H263 AromaticContact CG-CD2 3.68Å; F250-H263 AromaticContact CG-NE2 3.58Å; F250-H263 AromaticContact CZ-CD2 3.76Å; L256-H263 HydrophobicContact CD1-CB 3.99Å; D257-H263 WeakPolarHBondContact CB-ND1 2.99Å; D257-H263 PolarHBondContact N-ND1 3.41Å; D257-H263 WeakPolarHBondContact O-CB 3.35Å; D257-H263 PolarHBondContact O-ND1 2.84Å; D260-H263 HydrophobicContact CB-CB 3.9Å; D260-H263 PolarHBondContact O-N 3.38Å; D260-H263 IonicContact OD1-CD2 3.9Å; D260-H263 IonicContact OD1-CG 3.16Å; D260-H263 PolarHBondContact OD1-N 3.04Å; D260-H263 VanDerWaalsContact OD1-N 3.09Å; D260-H263 IonicContact OD2-CD2 2.89Å; D260-H263 IonicContact OD2-NE2 2.79Å; H263-Q265 VanDerWaalsContact C-N 3.33Å; H263-Q265 PolarHBondContact O-N 3.25Å; H263-W266 PolarHBondContact O-N 2.71Å; H263-I267 WeakPolarHBondContact O-CG1 3.39Å; H263-I267 PolarHBondContact O-N 2.97Å
264	I	97.9	Very high	96.9	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-62.8	-40.9	177	-64.7	-57.6	0	0	0	111.2	G258 D260 W266 I267 F268 Y285 T288 Q289 V292	G258-I264 WeakPolarHBondContact O-CD1 3.43Å; G258-I264 WeakPolarHBondContact O-CG1 3.35Å; D260-I264 WeakPolarHBondContact O-CG1 3.47Å; D260-I264 PolarHBondContact O-N 3.02Å; D260-I264 VanDerWaalsContact O-N 3.11Å; I264-W266 VanDerWaalsContact C-N 3.32Å; I264-W266 PolarHBondContact O-N 3.39Å; I264-I267 PolarHBondContact O-N 3.44Å; I264-F268 VanDerWaalsContact O-CB 3.31Å; I264-F268 WeakPolarHBondContact O-CB 3.21Å; I264-F268 PolarHBondContact O-N 3.28Å; I264-Y285 HydrophobicContact CB-CE2 4.36Å; I264-Y285 HydrophobicContact CG2-CD2 4.21Å; I264-Y285 HydrophobicContact CG2-CE1 4.25Å; I264-Y285 HydrophobicContact CG2-CE2 3.55Å; I264-T288 HydrophobicContact CG2-CG2 4.28Å; I264-Q289 HydrophobicContact CG2-CG 3.54Å; I264-V292 HydrophobicContact CD1-CB 3.86Å; I264-V292 HydrophobicContact CD1-CG1 3.6Å; I264-V292 HydrophobicContact CD1-CG2 4.1Å
265	Q	98.3	Very high	97	Very high	89 Å²	89	51.4 Å²	51.4	42%	0.416	27%	0.266	S	S	.	.	H	α-helix	trans	-62.3	-41.1	177.6	-175.9	60.9	31.2	0	0	111.4	P261 E262 H263 F268 Q269 Y285	P261-Q265 WeakPolarHBondContact O-CB 3.42Å; P261-Q265 PolarHBondContact O-N 2.82Å; E262-Q265 PolarHBondContact O-N 2.86Å; H263-Q265 VanDerWaalsContact C-N 3.33Å; H263-Q265 PolarHBondContact O-N 3.25Å; Q265-F268 PolarHBondContact O-N 3.45Å; Q265-Q269 PolarHBondContact O-N 3.43Å; Q265-Y285 HydrophobicContact CB-CE2 4.39Å; Q265-Y285 VanDerWaalsContact OE1-CE2 3.32Å
266	W	98.5	Very high	97.1	Very high	49 Å²	49	50.9 Å²	50.9	19%	0.186	27%	0.265	C	S	.	.	H	α-helix	trans	-62.6	-48.1	174.7	-175.4	95.7	0	0	0	111.5	V239 Q243 W244 E247 P249 F250 E262 H263 I264 F268 Q269 K270	V239-W266 HydrophobicContact CG1-CE3 4.24Å; V239-W266 HydrophobicContact CG1-CH2 4.37Å; V239-W266 HydrophobicContact CG1-CZ3 3.61Å; Q243-W266 HydrophobicContact CG-CH2 4.27Å; W244-W266 HydrophobicContact CB-CZ3 4.32Å; W244-W266 AromaticContact CE3-CE3 3.63Å; W244-W266 HydrophobicContact CE3-CE3 3.63Å; W244-W266 AromaticContact CE3-CZ3 3.71Å; W244-W266 HydrophobicContact CE3-CZ3 3.71Å; W244-W266 HydrophobicContact CZ3-CD2 4.47Å; W244-W266 AromaticContact CZ3-CE3 3.89Å; W244-W266 HydrophobicContact CZ3-CE3 3.89Å; W244-W266 HydrophobicContact CZ3-CZ3 4.42Å; E247-W266 HydrophobicContact CB-CZ2 4.47Å; E247-W266 WeakPolarHBondContact OE2-CZ2 3.47Å; P249-W266 HydrophobicContact CB-CD2 3.85Å; P249-W266 HydrophobicContact CB-CE3 4.48Å; P249-W266 HydrophobicContact CB-CG 4.19Å; P249-W266 HydrophobicContact CB-CH2 4.33Å; P249-W266 HydrophobicContact CB-CZ2 3.66Å; P249-W266 HydrophobicContact CG-CD2 3.77Å; P249-W266 HydrophobicContact CG-CE3 3.91Å; P249-W266 HydrophobicContact CG-CG 4.41Å; P249-W266 HydrophobicContact CG-CH2 3.89Å; P249-W266 HydrophobicContact CG-CZ2 3.74Å; P249-W266 HydrophobicContact CG-CZ3 3.98Å; F250-W266 HydrophobicContact CE2-CB 3.89Å; F250-W266 HydrophobicContact CE2-CG 4.12Å; F250-W266 HydrophobicContact CZ-CB 4.15Å; E262-W266 WeakPolarHBondContact O-CB 3.5Å; E262-W266 PolarHBondContact O-N 3.29Å; H263-W266 PolarHBondContact O-N 2.71Å; I264-W266 VanDerWaalsContact C-N 3.32Å; I264-W266 PolarHBondContact O-N 3.39Å; W266-F268 VanDerWaalsContact C-N 3.3Å; W266-F268 PolarHBondContact O-N 3.1Å; W266-Q269 PolarHBondContact O-N 3.23Å; W266-K270 HydrophobicContact CD2-CG 4.05Å; W266-K270 HydrophobicContact CE3-CG 4.18Å; W266-K270 HydrophobicContact CH2-CG 3.84Å; W266-K270 HydrophobicContact CZ2-CD 4.46Å; W266-K270 HydrophobicContact CZ2-CG 3.68Å; W266-K270 HydrophobicContact CZ3-CG 4.08Å; W266-K270 PolarHBondContact O-N 2.91Å
267	I	98.5	Very high	97.1	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-59.6	-44.7	177.5	-68.7	-177.1	0	0	0	110.4	I236 V239 R240 W244 L256 H263 I264 Q269 K270 S271 T288 V292	I236-I267 HydrophobicContact CG2-CG2 4.08Å; V239-I267 HydrophobicContact CB-CG2 4.21Å; V239-I267 HydrophobicContact CG1-CB 4.15Å; V239-I267 HydrophobicContact CG1-CG1 4.11Å; V239-I267 HydrophobicContact CG1-CG2 3.86Å; R240-I267 HydrophobicContact CB-CD1 4.44Å; W244-I267 HydrophobicContact CE3-CD1 4.18Å; W244-I267 HydrophobicContact CE3-CG1 3.99Å; W244-I267 HydrophobicContact CZ3-CG1 4.28Å; L256-I267 HydrophobicContact CD1-CD1 3.42Å; L256-I267 VanDerWaalsContact CD1-CD1 3.42Å; L256-I267 HydrophobicContact CD1-CG1 4.41Å; L256-I267 HydrophobicContact CD2-CD1 3.49Å; L256-I267 VanDerWaalsContact CD2-CD1 3.49Å; L256-I267 HydrophobicContact CG-CD1 4.09Å; H263-I267 WeakPolarHBondContact O-CG1 3.39Å; H263-I267 PolarHBondContact O-N 2.97Å; I264-I267 PolarHBondContact O-N 3.44Å; I267-Q269 VanDerWaalsContact C-N 3.34Å; I267-Q269 PolarHBondContact O-N 2.97Å; I267-K270 PolarHBondContact O-N 3.31Å; I267-S271 VanDerWaalsContact O-CB 3.23Å; I267-S271 WeakPolarHBondContact O-CB 3.4Å; I267-S271 PolarHBondContact O-N 2.98Å; I267-S271 PolarHBondContact O-OG 2.66Å; I267-T288 HydrophobicContact CB-CG2 4.06Å; I267-T288 HydrophobicContact CG2-CG2 3.56Å; I267-V292 HydrophobicContact CD1-CG2 3.82Å; I267-V292 HydrophobicContact CG2-CG2 4.06Å
268	F	98.6	Very high	97.2	Very high	35 Å²	35	55.7 Å²	55.7	15%	0.154	28%	0.28	C	S	.	.	H	α-helix	trans	-58.7	-46.5	178.7	169.1	-125	0	0	0	111.5	I264 Q265 W266 S271 L272 V283 Y285 T288	I264-F268 VanDerWaalsContact O-CB 3.31Å; I264-F268 WeakPolarHBondContact O-CB 3.21Å; I264-F268 PolarHBondContact O-N 3.28Å; Q265-F268 PolarHBondContact O-N 3.45Å; W266-F268 VanDerWaalsContact C-N 3.3Å; W266-F268 PolarHBondContact O-N 3.1Å; F268-S271 WeakPolarHBondContact O-CB 3.33Å; F268-S271 PolarHBondContact O-N 2.78Å; F268-L272 HydrophobicContact CD2-CD1 4.37Å; F268-L272 HydrophobicContact CD2-CG 4.26Å; F268-L272 HydrophobicContact CE1-CD1 4.01Å; F268-L272 HydrophobicContact CE2-CD1 3.77Å; F268-L272 HydrophobicContact CE2-CD2 4.09Å; F268-L272 HydrophobicContact CE2-CG 3.81Å; F268-L272 HydrophobicContact CZ-CD1 3.57Å; F268-L272 HydrophobicContact CZ-CD2 4.47Å; F268-L272 HydrophobicContact CZ-CG 4.15Å; F268-L272 PolarHBondContact O-N 3.32Å; F268-V283 HydrophobicContact CD2-CG1 3.99Å; F268-V283 HydrophobicContact CE2-CG1 4.07Å; F268-Y285 HydrophobicContact CB-CD2 4.22Å; F268-Y285 AromaticContact CD1-CD2 3.95Å; F268-Y285 HydrophobicContact CD1-CD2 3.95Å; F268-Y285 HydrophobicContact CG-CD2 4.17Å; F268-T288 HydrophobicContact CB-CG2 4.06Å
269	Q	98.4	Very high	97.4	Very high	91 Å²	91	61.9 Å²	61.9	43%	0.425	31%	0.31	S	S	.	.	H	α-helix	trans	-62.3	-46	179.3	-171.5	59.6	35.6	0	0	112	Q265 W266 I267 S271 L272 E273	Q265-Q269 PolarHBondContact O-N 3.43Å; W266-Q269 PolarHBondContact O-N 3.23Å; I267-Q269 VanDerWaalsContact C-N 3.34Å; I267-Q269 PolarHBondContact O-N 2.97Å; Q269-S271 VanDerWaalsContact C-N 3.29Å; Q269-S271 PolarHBondContact O-N 2.82Å; Q269-L272 WeakPolarHBondContact O-CB 3.17Å; Q269-L272 PolarHBondContact O-N 2.85Å; Q269-E273 PolarHBondContact O-N 2.96Å; Q269-E273 VanDerWaalsContact O-N 3.16Å
270	K	98.3	Very high	97.7	Very high	45 Å²	45	58.5 Å²	58.5	20%	0.196	29%	0.292	C	S	.	.	H	α-helix	trans	-66.6	-31.8	175.6	-67.7	-48.2	-172.9	-169.6	0	113.1	V239 W266 I267 L272 E273 R274	V239-K270 HydrophobicContact CB-CB 4.43Å; V239-K270 HydrophobicContact CG1-CB 3.66Å; V239-K270 HydrophobicContact CG1-CG 4.49Å; V239-K270 HydrophobicContact CG2-CB 3.8Å; W266-K270 HydrophobicContact CD2-CG 4.05Å; W266-K270 HydrophobicContact CE3-CG 4.18Å; W266-K270 HydrophobicContact CH2-CG 3.84Å; W266-K270 HydrophobicContact CZ2-CD 4.46Å; W266-K270 HydrophobicContact CZ2-CG 3.68Å; W266-K270 HydrophobicContact CZ3-CG 4.08Å; W266-K270 PolarHBondContact O-N 2.91Å; I267-K270 PolarHBondContact O-N 3.31Å; K270-L272 VanDerWaalsContact C-N 3.34Å; K270-E273 VanDerWaalsContact CD-OE2 3.24Å; K270-E273 WeakPolarHBondContact CD-OE2 3.35Å; K270-E273 VanDerWaalsContact NZ-CD 3.33Å; K270-E273 IonicContact NZ-OE1 3.74Å; K270-E273 PolarHBondContact NZ-OE1 3.07Å; K270-E273 IonicContact NZ-OE2 3.84Å; K270-E273 PolarHBondContact NZ-OE2 3.08Å; K270-E273 PolarHBondContact O-N 2.82Å; K270-R274 WeakPolarHBondContact O-CB 3.32Å; K270-R274 PolarHBondContact O-N 3.02Å
271	S	98.4	Very high	97.7	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-67.8	-36.8	175.8	-58.9	0	0	0	0	111.4	I236 I267 F268 Q269 A275	I236-S271 WeakPolarHBondContact CA-OG 3.11Å; I267-S271 VanDerWaalsContact O-CB 3.23Å; I267-S271 WeakPolarHBondContact O-CB 3.4Å; I267-S271 PolarHBondContact O-N 2.98Å; I267-S271 PolarHBondContact O-OG 2.66Å; F268-S271 WeakPolarHBondContact O-CB 3.33Å; F268-S271 PolarHBondContact O-N 2.78Å; Q269-S271 VanDerWaalsContact C-N 3.29Å; Q269-S271 PolarHBondContact O-N 2.82Å; S271-A275 WeakPolarHBondContact O-CB 3.4Å; S271-A275 PolarHBondContact O-N 3.46Å
272	L	98.4	Very high	97.8	Very high	65 Å²	65	65.6 Å²	65.6	34%	0.34	32%	0.319	S	S	.	.	H	α-helix	trans	-63.6	-45.8	172.3	-74.3	172.4	0	0	0	111.8	F268 Q269 K270 A275 S276 V283	F268-L272 HydrophobicContact CD2-CD1 4.37Å; F268-L272 HydrophobicContact CD2-CG 4.26Å; F268-L272 HydrophobicContact CE1-CD1 4.01Å; F268-L272 HydrophobicContact CE2-CD1 3.77Å; F268-L272 HydrophobicContact CE2-CD2 4.09Å; F268-L272 HydrophobicContact CE2-CG 3.81Å; F268-L272 HydrophobicContact CZ-CD1 3.57Å; F268-L272 HydrophobicContact CZ-CD2 4.47Å; F268-L272 HydrophobicContact CZ-CG 4.15Å; F268-L272 PolarHBondContact O-N 3.32Å; Q269-L272 WeakPolarHBondContact O-CB 3.17Å; Q269-L272 PolarHBondContact O-N 2.85Å; K270-L272 VanDerWaalsContact C-N 3.34Å; L272-A275 PolarHBondContact O-N 3.48Å; L272-S276 WeakPolarHBondContact O-CB 3.4Å; L272-S276 PolarHBondContact O-N 2.82Å; L272-V283 HydrophobicContact CD2-CB 4Å; L272-V283 HydrophobicContact CD2-CG1 4.02Å; L272-V283 HydrophobicContact CG-CG1 4.19Å
273	E	98.1	Very high	97.9	Very high	76 Å²	76	60.1 Å²	60.1	36%	0.355	30%	0.295	S	S	.	.	H	α-helix	trans	-58.2	-49.9	176.1	-68.2	170.8	-160.4	0	0	110.8	Q269 K270 S276 Q277	Q269-E273 PolarHBondContact O-N 2.96Å; Q269-E273 VanDerWaalsContact O-N 3.16Å; K270-E273 VanDerWaalsContact CD-OE2 3.24Å; K270-E273 WeakPolarHBondContact CD-OE2 3.35Å; K270-E273 VanDerWaalsContact NZ-CD 3.33Å; K270-E273 IonicContact NZ-OE1 3.74Å; K270-E273 PolarHBondContact NZ-OE1 3.07Å; K270-E273 IonicContact NZ-OE2 3.84Å; K270-E273 PolarHBondContact NZ-OE2 3.08Å; K270-E273 PolarHBondContact O-N 2.82Å; E273-S276 WeakPolarHBondContact O-CB 3.36Å; E273-S276 PolarHBondContact O-N 2.86Å; E273-Q277 WeakPolarHBondContact O-CG 2.95Å; E273-Q277 PolarHBondContact O-N 3.3Å
274	R	97.5	Very high	97.9	Very high	24 Å²	24	62.9 Å²	62.9	9%	0.091	31%	0.312	C	S	.	.	H	α-helix	trans	-63	-43	178.8	-176.8	65.1	173.5	-177.8	-2.1	112.1	A226 C235 Y238 K270 Q277 Y278	A226-R274 PolarHBondContact O-NH2 2.93Å; C235-R274 HydrophobicContact CB-CB 4.39Å; C235-R274 HydrophobicContact CB-CG 4.14Å; Y238-R274 HydrophobicContact CD1-CG 4.06Å; K270-R274 WeakPolarHBondContact O-CB 3.32Å; K270-R274 PolarHBondContact O-N 3.02Å; R274-Q277 WeakPolarHBondContact O-CB 2.93Å; R274-Q277 PolarHBondContact O-N 2.91Å; R274-Y278 WeakPolarHBondContact O-CD2 3.36Å
275	A	98	Very high	97.9	Very high	2 Å²	2	66.2 Å²	66.2	2%	0.017	33%	0.325	C	S	.	.	H	α-helix	trans	-65.9	-39.1	178.9	0	0	0	0	0	112	C235 S271 L272 Q277 Y278 N279 I280 V283	C235-A275 HydrophobicContact CB-CB 4.17Å; S271-A275 WeakPolarHBondContact O-CB 3.4Å; S271-A275 PolarHBondContact O-N 3.46Å; L272-A275 PolarHBondContact O-N 3.48Å; A275-Q277 VanDerWaalsContact C-N 3.33Å; A275-Q277 PolarHBondContact O-N 2.98Å; A275-Y278 CarbonylContact O-C 3.59Å; A275-Y278 PolarHBondContact O-N 3.48Å; A275-Y278 VanDerWaalsContact O-N 3.15Å; A275-N279 PolarHBondContact O-N 2.97Å; A275-I280 HydrophobicContact CB-CB 4.17Å; A275-I280 PolarHBondContact O-N 3.03Å; A275-V283 HydrophobicContact CB-CG2 3.55Å
276	S	97.5	Very high	97.8	Very high	88 Å²	88	71.7 Å²	71.7	62%	0.615	34%	0.342	S	S	*	.	H	α-helix	trans	-59	-41.9	175.3	-172.6	0	0	0	0	112.1	L272 E273 Y278 N279	L272-S276 WeakPolarHBondContact O-CB 3.4Å; L272-S276 PolarHBondContact O-N 2.82Å; E273-S276 WeakPolarHBondContact O-CB 3.36Å; E273-S276 PolarHBondContact O-N 2.86Å; S276-Y278 PolarHBondContact O-N 2.91Å; S276-Y278 VanDerWaalsContact O-N 3.16Å; S276-N279 PolarHBondContact O-N 2.9Å; S276-N279 VanDerWaalsContact O-N 3.1Å
277	Q	97.1	Very high	97.7	Very high	130 Å²	130	71.3 Å²	71.3	61%	0.607	34%	0.344	S	S	*	.	H	α-helix	trans	-58	-30	177.1	-68.4	167.5	6.1	0	0	113.6	E273 R274 A275	E273-Q277 WeakPolarHBondContact O-CG 2.95Å; E273-Q277 PolarHBondContact O-N 3.3Å; R274-Q277 WeakPolarHBondContact O-CB 2.93Å; R274-Q277 PolarHBondContact O-N 2.91Å; A275-Q277 VanDerWaalsContact C-N 3.33Å; A275-Q277 PolarHBondContact O-N 2.98Å
278	Y	97	Very high	97.7	Very high	91 Å²	91	71.3 Å²	71.3	36%	0.357	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	9.7	-179.4	-68.6	-96.2	0	0	0	112.9	P229 R274 A275 S276 I280	P229-Y278 HydrophobicContact CG-CD1 3.52Å; P229-Y278 HydrophobicContact CG-CD2 3.64Å; P229-Y278 HydrophobicContact CG-CE1 3.72Å; P229-Y278 HydrophobicContact CG-CE2 3.87Å; P229-Y278 HydrophobicContact CG-CG 3.47Å; P229-Y278 VanDerWaalsContact CG-CG 3.47Å; R274-Y278 WeakPolarHBondContact O-CD2 3.36Å; A275-Y278 CarbonylContact O-C 3.59Å; A275-Y278 PolarHBondContact O-N 3.48Å; A275-Y278 VanDerWaalsContact O-N 3.15Å; S276-Y278 PolarHBondContact O-N 2.91Å; S276-Y278 VanDerWaalsContact O-N 3.16Å; Y278-I280 PolarHBondContact O-N 3.16Å
279	N	97.1	Very high	97.6	Very high	146 Å²	146	72.6 Å²	72.6	78%	0.781	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	33.1	-175.4	-61.2	-66.7	0	0	0	114.3	A275 S276	A275-N279 PolarHBondContact O-N 2.97Å; S276-N279 PolarHBondContact O-N 2.9Å; S276-N279 VanDerWaalsContact O-N 3.1Å
280	I	97.5	Very high	97.5	Very high	24 Å²	24	69.4 Å²	69.4	12%	0.123	34%	0.341	C	S	.	.			trans	-87.6	128.3	178.3	-63.4	168.4	0	0	0	109.1	P229 P232 A275 Y278	P229-I280 HydrophobicContact CB-CD1 3.75Å; P229-I280 HydrophobicContact CG-CD1 4.08Å; P232-I280 HydrophobicContact CB-CG2 4.24Å; A275-I280 HydrophobicContact CB-CB 4.17Å; A275-I280 PolarHBondContact O-N 3.03Å; Y278-I280 PolarHBondContact O-N 3.16Å
281	R	96.9	Very high	97.3	Very high	231 Å²	231	68.1 Å²	68.1	87%	0.872	34%	0.337	S	S	*	.			trans	-100.2	162.5	176.1	-62.2	-176.1	-179.6	-174.9	0.2	110.6
282	G	97.1	Very high	97.2	Very high	49 Å²	49	68.8 Å²	68.8	51%	0.505	34%	0.341	S	S	.	.			trans	99.4	3.2	171.8	0	0	0	0	0	115.9	T284 L287	G282-T284 PolarHBondContact O-N 3.25Å; G282-L287 WeakPolarHBondContact O-CD2 3.31Å
283	V	97.9	Very high	96.9	Very high	16 Å²	16	69.1 Å²	69.1	10%	0.097	34%	0.34	C	S	.	.			trans	-68.7	117.9	170.2	179.5	0	0	0	0	109	P232 I236 F268 L272 A275	P232-V283 HydrophobicContact CB-CB 4.47Å; P232-V283 HydrophobicContact CB-CG2 3.61Å; I236-V283 HydrophobicContact CG1-CG1 4.45Å; F268-V283 HydrophobicContact CD2-CG1 3.99Å; F268-V283 HydrophobicContact CE2-CG1 4.07Å; L272-V283 HydrophobicContact CD2-CB 4Å; L272-V283 HydrophobicContact CD2-CG1 4.02Å; L272-V283 HydrophobicContact CG-CG1 4.19Å; A275-V283 HydrophobicContact CB-CG2 3.55Å
284	T	98	Very high	96.6	Very high	68 Å²	68	72 Å²	72	42%	0.417	35%	0.347	S	S	.	.			trans	-132.3	155.1	178	63.8	0	0	0	0	109.2	G282 R286 L287 T288	G282-T284 PolarHBondContact O-N 3.25Å; T284-R286 PolarHBondContact O-N 2.72Å; T284-L287 PolarHBondContact O-N 3.45Å; T284-L287 VanDerWaalsContact O-N 3.08Å; T284-L287 WeakPolarHBondContact OG1-CB 3.48Å; T284-L287 PolarHBondContact OG1-N 2.86Å; T284-L287 VanDerWaalsContact OG1-N 3.16Å; T284-T288 PolarHBondContact O-N 3.47Å; T284-T288 PolarHBondContact O-OG1 2.91Å; T284-T288 VanDerWaalsContact O-OG1 3.07Å
285	Y	97.9	Very high	96.3	Very high	71 Å²	71	75 Å²	75	28%	0.278	37%	0.365	S	S	.	.	H	α-helix	trans	-54.6	-42.1	176.5	-173.3	-92.3	0	0	0	112.2	I264 Q265 F268 L287 T288 Q289	I264-Y285 HydrophobicContact CB-CE2 4.36Å; I264-Y285 HydrophobicContact CG2-CD2 4.21Å; I264-Y285 HydrophobicContact CG2-CE1 4.25Å; I264-Y285 HydrophobicContact CG2-CE2 3.55Å; Q265-Y285 HydrophobicContact CB-CE2 4.39Å; Q265-Y285 VanDerWaalsContact OE1-CE2 3.32Å; F268-Y285 HydrophobicContact CB-CD2 4.22Å; F268-Y285 AromaticContact CD1-CD2 3.95Å; F268-Y285 HydrophobicContact CD1-CD2 3.95Å; F268-Y285 HydrophobicContact CG-CD2 4.17Å; Y285-L287 PolarHBondContact O-N 2.99Å; Y285-T288 WeakPolarHBondContact O-CB 3.35Å; Y285-T288 PolarHBondContact O-N 2.99Å; Y285-Q289 HydrophobicContact CD1-CG 4.27Å; Y285-Q289 HydrophobicContact CE1-CG 3.94Å; Y285-Q289 PolarHBondContact O-N 3.27Å
286	R	96.9	Very high	95.9	Very high	204 Å²	204	79 Å²	79	77%	0.77	39%	0.385	S	S	*	.	H	α-helix	trans	-60.2	-44.6	176	-174.8	-174.2	-62.6	156	0.9	112.3	T284 T288 Q289 G290	T284-R286 PolarHBondContact O-N 2.72Å; R286-T288 VanDerWaalsContact C-N 3.34Å; R286-Q289 PolarHBondContact O-N 2.77Å; R286-G290 PolarHBondContact O-N 2.99Å
287	L	97.6	Very high	95.7	Very high	41 Å²	41	79 Å²	79	22%	0.215	38%	0.383	C	S	.	.	H	α-helix	trans	-66.3	-39.5	177	-176.9	64.1	0	0	0	111	P232 E233 I236 G282 T284 Y285 Q289 G290 V291	P232-L287 HydrophobicContact CB-CD2 3.71Å; P232-L287 HydrophobicContact CG-CD2 3.65Å; E233-L287 HydrophobicContact CG-CD1 4.1Å; E233-L287 HydrophobicContact CG-CD2 4.45Å; I236-L287 HydrophobicContact CD1-CB 4.31Å; I236-L287 HydrophobicContact CD1-CD2 3.98Å; I236-L287 HydrophobicContact CD1-CG 3.76Å; G282-L287 WeakPolarHBondContact O-CD2 3.31Å; T284-L287 PolarHBondContact O-N 3.45Å; T284-L287 VanDerWaalsContact O-N 3.08Å; T284-L287 WeakPolarHBondContact OG1-CB 3.48Å; T284-L287 PolarHBondContact OG1-N 2.86Å; T284-L287 VanDerWaalsContact OG1-N 3.16Å; Y285-L287 PolarHBondContact O-N 2.99Å; L287-Q289 PolarHBondContact O-N 3.47Å; L287-G290 WeakPolarHBondContact O-CA 3.31Å; L287-G290 PolarHBondContact O-N 3.08Å; L287-G290 VanDerWaalsContact O-N 3.13Å; L287-V291 HydrophobicContact CD1-CG2 4.28Å; L287-V291 HydrophobicContact CG-CG2 4.38Å; L287-V291 WeakPolarHBondContact O-CG2 3.38Å; L287-V291 PolarHBondContact O-N 3.12Å
288	T	98.1	Very high	95.6	Very high	0 Å²	0	74.1 Å²	74.1	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-56.5	-50.3	175.1	-55.3	0	0	0	0	111.4	I236 I264 I267 F268 T284 Y285 R286 G290 V291 V292	I236-T288 HydrophobicContact CG2-CG2 4.08Å; I264-T288 HydrophobicContact CG2-CG2 4.28Å; I267-T288 HydrophobicContact CB-CG2 4.06Å; I267-T288 HydrophobicContact CG2-CG2 3.56Å; F268-T288 HydrophobicContact CB-CG2 4.06Å; T284-T288 PolarHBondContact O-N 3.47Å; T284-T288 PolarHBondContact O-OG1 2.91Å; T284-T288 VanDerWaalsContact O-OG1 3.07Å; Y285-T288 WeakPolarHBondContact O-CB 3.35Å; Y285-T288 PolarHBondContact O-N 2.99Å; R286-T288 VanDerWaalsContact C-N 3.34Å; T288-G290 VanDerWaalsContact C-N 3.31Å; T288-G290 PolarHBondContact O-N 3.07Å; T288-V291 PolarHBondContact O-N 2.73Å; T288-V292 HydrophobicContact CG2-CG2 4.22Å; T288-V292 WeakPolarHBondContact O-CB 3.27Å; T288-V292 VanDerWaalsContact O-CG2 3.24Å; T288-V292 WeakPolarHBondContact O-CG2 3.37Å; T288-V292 PolarHBondContact O-N 3.22Å
289	Q	96.4	Very high	95.5	Very high	63 Å²	63	71.9 Å²	71.9	29%	0.294	36%	0.36	S	S	.	.	H	α-helix	trans	-58.2	-44.9	174.5	-70.7	-177.9	-57.9	0	0	111.7	I264 Y285 R286 L287 V291 V292 K293 I295	I264-Q289 HydrophobicContact CG2-CG 3.54Å; Y285-Q289 HydrophobicContact CD1-CG 4.27Å; Y285-Q289 HydrophobicContact CE1-CG 3.94Å; Y285-Q289 PolarHBondContact O-N 3.27Å; R286-Q289 PolarHBondContact O-N 2.77Å; L287-Q289 PolarHBondContact O-N 3.47Å; Q289-V291 PolarHBondContact O-N 2.9Å; Q289-V292 PolarHBondContact O-N 3.34Å; Q289-K293 WeakPolarHBondContact O-CB 3.4Å; Q289-K293 PolarHBondContact O-N 3.02Å; Q289-I295 HydrophobicContact CB-CD1 4Å
290	G	95.2	Very high	95.6	Very high	23 Å²	23	67.1 Å²	67.1	24%	0.237	34%	0.341	C	S	.	.	H	α-helix	trans	-55.3	-47.9	178	0	0	0	0	0	113.3	R286 L287 T288 R294 I295	R286-G290 PolarHBondContact O-N 2.99Å; L287-G290 WeakPolarHBondContact O-CA 3.31Å; L287-G290 PolarHBondContact O-N 3.08Å; L287-G290 VanDerWaalsContact O-N 3.13Å; T288-G290 VanDerWaalsContact C-N 3.31Å; T288-G290 PolarHBondContact O-N 3.07Å; G290-R294 CarbonylContact O-C 3.05Å; G290-R294 WeakPolarHBondContact O-CA 3.32Å; G290-R294 PolarHBondContact O-N 3.23Å; G290-I295 PolarHBondContact O-N 3.24Å
291	V	95.4	Very high	95.6	Very high	19 Å²	19	68.8 Å²	68.8	12%	0.115	36%	0.355	C	S	.	.	H	α-helix	trans	-71.5	-46.6	179.6	175.2	0	0	0	0	111.3	E233 I236 E237 L287 T288 Q289 R294	E233-V291 HydrophobicContact CB-CG2 4.02Å; E233-V291 HydrophobicContact CG-CG2 3.73Å; I236-V291 HydrophobicContact CB-CB 4.28Å; I236-V291 HydrophobicContact CB-CG1 4.11Å; I236-V291 HydrophobicContact CB-CG2 4.48Å; I236-V291 HydrophobicContact CD1-CG2 4.12Å; I236-V291 HydrophobicContact CG2-CB 3.73Å; I236-V291 HydrophobicContact CG2-CG1 3.68Å; I236-V291 HydrophobicContact CG2-CG2 4.41Å; E237-V291 HydrophobicContact CB-CG1 4.43Å; E237-V291 WeakPolarHBondContact OE2-CG1 3.43Å; L287-V291 HydrophobicContact CD1-CG2 4.28Å; L287-V291 HydrophobicContact CG-CG2 4.38Å; L287-V291 WeakPolarHBondContact O-CG2 3.38Å; L287-V291 PolarHBondContact O-N 3.12Å; T288-V291 PolarHBondContact O-N 2.73Å; Q289-V291 PolarHBondContact O-N 2.9Å; V291-R294 PolarHBondContact O-N 3.13Å
292	V	95.8	Very high	95.7	Very high	13 Å²	13	57.9 Å²	57.9	8%	0.079	31%	0.314	C	S	.	.	H	α-helix	trans	-63.8	-47.7	-175.7	172.1	0	0	0	0	111.7	I236 L256 I264 I267 T288 Q289	I236-V292 HydrophobicContact CG2-CG2 4.2Å; L256-V292 HydrophobicContact CD2-CG1 4Å; L256-V292 HydrophobicContact CG-CG1 4.45Å; I264-V292 HydrophobicContact CD1-CB 3.86Å; I264-V292 HydrophobicContact CD1-CG1 3.6Å; I264-V292 HydrophobicContact CD1-CG2 4.1Å; I267-V292 HydrophobicContact CD1-CG2 3.82Å; I267-V292 HydrophobicContact CG2-CG2 4.06Å; T288-V292 HydrophobicContact CG2-CG2 4.22Å; T288-V292 WeakPolarHBondContact O-CB 3.27Å; T288-V292 VanDerWaalsContact O-CG2 3.24Å; T288-V292 WeakPolarHBondContact O-CG2 3.37Å; T288-V292 PolarHBondContact O-N 3.22Å; Q289-V292 PolarHBondContact O-N 3.34Å
293	K	92.4	Very high	95.7	Very high	73 Å²	73	55.9 Å²	55.9	32%	0.317	29%	0.292	S	S	.	.	H	α-helix	trans	-90.1	-3.1	-178.2	-60.8	-179.3	65.5	167.2	0	113.6	G258 D259 Q289 I295	G258-K293 VanDerWaalsContact O-CD 3.31Å; G258-K293 WeakPolarHBondContact O-CD 3.31Å; G258-K293 WeakPolarHBondContact O-CG 3.42Å; D259-K293 VanDerWaalsContact OD1-CE 3.23Å; D259-K293 WeakPolarHBondContact OD1-CE 3.48Å; D259-K293 IonicContact OD1-NZ 2.85Å; D259-K293 PolarHBondContact OD1-NZ 3.38Å; Q289-K293 WeakPolarHBondContact O-CB 3.4Å; Q289-K293 PolarHBondContact O-N 3.02Å; K293-I295 VanDerWaalsContact C-N 3.29Å; K293-I295 HydrophobicContact CB-CD1 4.35Å; K293-I295 HydrophobicContact CB-CG1 3.71Å; K293-I295 HydrophobicContact CD-CD1 4.31Å; K293-I295 HydrophobicContact CD-CG1 4.47Å; K293-I295 PolarHBondContact O-N 3.37Å
294	R	92	Very high	95.8	Very high	135 Å²	135	56.5 Å²	56.5	51%	0.509	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	47.7	-171.3	-58.8	-177.1	172	-143.1	-6.4	112.1	G290 V291 I296	G290-R294 CarbonylContact O-C 3.05Å; G290-R294 WeakPolarHBondContact O-CA 3.32Å; G290-R294 PolarHBondContact O-N 3.23Å; V291-R294 PolarHBondContact O-N 3.13Å; R294-I296 PolarHBondContact O-N 3.23Å
295	I	90.7	Very high	95.8	Very high	89 Å²	89	55.8 Å²	55.8	46%	0.456	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-62.5	124.3	-172.7	-57.5	-178.5	0	0	0	110.5	Q289 G290 K293	Q289-I295 HydrophobicContact CB-CD1 4Å; G290-I295 PolarHBondContact O-N 3.24Å; K293-I295 VanDerWaalsContact C-N 3.29Å; K293-I295 HydrophobicContact CB-CD1 4.35Å; K293-I295 HydrophobicContact CB-CG1 3.71Å; K293-I295 HydrophobicContact CD-CD1 4.31Å; K293-I295 HydrophobicContact CD-CG1 4.47Å; K293-I295 PolarHBondContact O-N 3.37Å
296	I	90.5	Very high	95.8	Very high	84 Å²	84	52.4 Å²	52.4	43%	0.431	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-90.8	123.3	168.5	-59.1	177.7	0	0	0	108.3	E190 R294 A298	E190-I296 HydrophobicContact CB-CG2 3.93Å; E190-I296 HydrophobicContact CG-CG2 3.66Å; R294-I296 PolarHBondContact O-N 3.23Å; I296-A298 PolarHBondContact O-N 2.9Å
297	P	92.8	Very high	95.9	Very high	90 Å²	90	42.7 Å²	42.7	58%	0.584	24%	0.244	S	C	*	.	P	Polyproline II helix	trans	-55.9	137	173.5	-24.8	34.7	0	0	0	111.1	G191	G191-P297 VanDerWaalsContact CA-O 3.27Å; G191-P297 WeakPolarHBondContact CA-O 3.2Å; G191-P297 PolarHBondContact N-O 3.15Å
298	A	94.1	Very high	96	Very high	26 Å²	26	42.9 Å²	42.9	22%	0.215	25%	0.251	C	S	.	.			trans	-147.7	136.9	-176.3	0	0	0	0	0	112.2	N96 R97 I296	N96-A298 PolarHBondContact ND2-O 3.29Å; R97-A298 VanDerWaalsContact NE-CB 3.31Å; I296-A298 PolarHBondContact O-N 2.9Å
299	V	96.6	Very high	96	Very high	45 Å²	45	44.4 Å²	44.4	27%	0.273	26%	0.261	S	S	.	.			trans	-128.4	156.2	-179.8	-64.6	0	0	0	0	110.9	F192 S301 T302 N303	F192-V299 HydrophobicContact CD1-CG2 4.39Å; F192-V299 HydrophobicContact CE1-CG1 4.49Å; F192-V299 HydrophobicContact CE1-CG2 4.19Å; V299-S301 WeakPolarHBondContact CG2-OG 3.22Å; V299-T302 WeakPolarHBondContact CG2-OG1 3.36Å; V299-N303 PolarHBondContact O-ND2 3.47Å
300	A	97.8	Very high	96.1	Very high	45 Å²	45	41.4 Å²	41.4	37%	0.372	25%	0.247	S	C	.	.	H	α-helix	trans	-63.4	-40.2	-179.5	0	0	0	0	0	112.6	R97 T302 N303 A304	R97-A300 HydrophobicContact CB-CB 4.21Å; A300-T302 PolarHBondContact O-N 2.93Å; A300-N303 PolarHBondContact O-N 3.01Å; A300-A304 WeakPolarHBondContact O-CB 3.45Å; A300-A304 PolarHBondContact O-N 3.25Å
301	S	98.1	Very high	96.3	Very high	60 Å²	60	40.4 Å²	40.4	42%	0.42	24%	0.237	S	C	.	.	H	α-helix	trans	-57.6	-52.5	-176.4	50.4	0	0	0	0	113	V299 N303 A304 V305	V299-S301 WeakPolarHBondContact CG2-OG 3.22Å; S301-N303 VanDerWaalsContact C-N 3.32Å; S301-N303 PolarHBondContact O-N 2.87Å; S301-A304 WeakPolarHBondContact O-CB 3.45Å; S301-A304 PolarHBondContact O-N 3.27Å; S301-A304 VanDerWaalsContact O-N 3.16Å; S301-V305 WeakPolarHBondContact O-CG2 3.36Å; S301-V305 PolarHBondContact O-N 3.02Å
302	T	98.1	Very high	96.5	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.006	25%	0.251	C	S	.	.	H	α-helix	trans	-62.3	-39.5	-179.4	-44.5	0	0	0	0	111.8	T189 G191 K193 V299 A300 V305 I306 F331	T189-T302 HydrophobicContact CG2-CG2 4.11Å; G191-T302 WeakPolarHBondContact O-CB 3.47Å; G191-T302 PolarHBondContact O-OG1 3.42Å; K193-T302 VanDerWaalsContact O-CG2 3.31Å; K193-T302 WeakPolarHBondContact O-CG2 3.22Å; V299-T302 WeakPolarHBondContact CG2-OG1 3.36Å; A300-T302 PolarHBondContact O-N 2.93Å; T302-V305 PolarHBondContact O-N 3.36Å; T302-I306 PolarHBondContact O-N 3.17Å; T302-I306 VanDerWaalsContact O-N 3.11Å; T302-F331 HydrophobicContact CG2-CD1 4.27Å; T302-F331 HydrophobicContact CG2-CE1 4.23Å
303	N	98.2	Very high	96.6	Very high	7 Å²	7	42.7 Å²	42.7	4%	0.037	25%	0.25	C	C	.	.	H	α-helix	trans	-64.5	-42.6	174.7	-73.7	-70.8	0	0	0	111.8	L66 T189 V299 A300 S301 A307	L66-N303 PolarHBondContact N-OD1 3.29Å; T189-N303 PolarHBondContact OG1-OD1 3.1Å; V299-N303 PolarHBondContact O-ND2 3.47Å; A300-N303 PolarHBondContact O-N 3.01Å; S301-N303 VanDerWaalsContact C-N 3.32Å; S301-N303 PolarHBondContact O-N 2.87Å; N303-A307 WeakPolarHBondContact O-CB 3.38Å; N303-A307 PolarHBondContact O-N 3.47Å
304	A	98.6	Very high	96.9	Very high	30 Å²	30	39.2 Å²	39.2	25%	0.248	24%	0.235	C	C	.	.	H	α-helix	trans	-63	-41.8	176.2	0	0	0	0	0	112.2	E69 A300 S301 A308	E69-A304 HydrophobicContact CG-CB 4.21Å; A300-A304 WeakPolarHBondContact O-CB 3.45Å; A300-A304 PolarHBondContact O-N 3.25Å; S301-A304 WeakPolarHBondContact O-CB 3.45Å; S301-A304 PolarHBondContact O-N 3.27Å; S301-A304 VanDerWaalsContact O-N 3.16Å; A304-A308 WeakPolarHBondContact O-CB 3.45Å; A304-A308 PolarHBondContact O-N 2.95Å
305	V	98.6	Very high	97.2	Very high	53 Å²	53	33.9 Å²	33.9	32%	0.321	22%	0.215	S	C	.	.	H	α-helix	trans	-60.7	-54.4	177.3	171.1	0	0	0	0	110.9	S301 T302 A308 V309 F331	S301-V305 WeakPolarHBondContact O-CG2 3.36Å; S301-V305 PolarHBondContact O-N 3.02Å; T302-V305 PolarHBondContact O-N 3.36Å; V305-A308 PolarHBondContact O-N 3.34Å; V305-V309 WeakPolarHBondContact O-CG2 3.31Å; V305-V309 PolarHBondContact O-N 3.43Å; V305-V309 VanDerWaalsContact O-N 3.13Å; V305-F331 HydrophobicContact CB-CE1 4.38Å; V305-F331 HydrophobicContact CB-CZ 4.44Å; V305-F331 HydrophobicContact CG1-CD1 4.09Å; V305-F331 HydrophobicContact CG1-CD2 3.9Å; V305-F331 HydrophobicContact CG1-CE1 4.17Å; V305-F331 HydrophobicContact CG1-CE2 3.98Å; V305-F331 HydrophobicContact CG1-CG 3.94Å; V305-F331 HydrophobicContact CG1-CZ 4.1Å; V305-F331 HydrophobicContact CG2-CE1 4.4Å; V305-F331 HydrophobicContact CG2-CZ 4.08Å
306	I	98.7	Very high	97.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-67.3	-42.4	-177.1	-62.1	-53.5	0	0	0	111.4	L66 T189 N195 A196 T302 A308 V309 C310 F331	L66-I306 HydrophobicContact CD1-CB 4.37Å; L66-I306 HydrophobicContact CD1-CG2 3.78Å; L66-I306 HydrophobicContact CG-CG2 4.5Å; T189-I306 HydrophobicContact CG2-CB 3.94Å; T189-I306 HydrophobicContact CG2-CG1 3.74Å; T189-I306 HydrophobicContact CG2-CG2 4.44Å; N195-I306 WeakPolarHBondContact O-CG2 3.48Å; A196-I306 HydrophobicContact CB-CG2 4.35Å; T302-I306 PolarHBondContact O-N 3.17Å; T302-I306 VanDerWaalsContact O-N 3.11Å; I306-A308 VanDerWaalsContact C-N 3.29Å; I306-A308 PolarHBondContact O-N 2.95Å; I306-V309 PolarHBondContact O-N 3.48Å; I306-C310 PolarHBondContact O-N 2.56Å; I306-C310 PolarHBondContact O-SG 2.98Å; I306-C310 VanDerWaalsContact O-SG 3.37Å; I306-F331 HydrophobicContact CD1-CB 4Å
307	A	98.8	Very high	98	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-64.9	-31.4	176.8	0	0	0	0	0	112.8	L66 E69 L70 N73 N303 A311	L66-A307 HydrophobicContact CD2-CB 4.17Å; L66-A307 HydrophobicContact CG-CB 4.26Å; E69-A307 HydrophobicContact CB-CB 3.32Å; E69-A307 HydrophobicContact CG-CB 4.42Å; L70-A307 HydrophobicContact CD2-CB 4.23Å; L70-A307 HydrophobicContact CG-CB 4.07Å; N73-A307 PolarHBondContact ND2-O 3.14Å; N303-A307 WeakPolarHBondContact O-CB 3.38Å; N303-A307 PolarHBondContact O-N 3.47Å; A307-A311 WeakPolarHBondContact O-CB 3.27Å; A307-A311 PolarHBondContact O-N 3.11Å
308	A	98.8	Very high	98.3	Very high	44 Å²	44	26.2 Å²	26.2	36%	0.364	17%	0.173	S	C	.	.	H	α-helix	trans	-67.1	-43	173.6	0	0	0	0	0	111.6	N73 A304 V305 I306 T312	N73-A308 WeakPolarHBondContact ND2-CA 3.5Å; N73-A308 PolarHBondContact ND2-N 3.27Å; A304-A308 WeakPolarHBondContact O-CB 3.45Å; A304-A308 PolarHBondContact O-N 2.95Å; V305-A308 PolarHBondContact O-N 3.34Å; I306-A308 VanDerWaalsContact C-N 3.29Å; I306-A308 PolarHBondContact O-N 2.95Å; A308-T312 WeakPolarHBondContact O-CB 3.28Å; A308-T312 PolarHBondContact O-N 2.91Å; A308-T312 PolarHBondContact O-OG1 3.09Å
309	V	98.8	Very high	98.5	Very high	32 Å²	32	26 Å²	26	19%	0.194	17%	0.169	C	C	.	.	H	α-helix	trans	-60.1	-55.9	173.4	176.4	0	0	0	0	109.6	A196 V305 I306 A311 T312 E313 L329	A196-V309 HydrophobicContact CB-CB 4.13Å; A196-V309 HydrophobicContact CB-CG1 3.59Å; V305-V309 WeakPolarHBondContact O-CG2 3.31Å; V305-V309 PolarHBondContact O-N 3.43Å; V305-V309 VanDerWaalsContact O-N 3.13Å; I306-V309 PolarHBondContact O-N 3.48Å; V309-A311 PolarHBondContact O-N 2.81Å; V309-T312 WeakPolarHBondContact O-CB 3.47Å; V309-T312 PolarHBondContact O-N 2.95Å; V309-T312 VanDerWaalsContact O-N 3.13Å; V309-E313 WeakPolarHBondContact O-CG 3.34Å; V309-E313 PolarHBondContact O-N 2.77Å; V309-L329 HydrophobicContact CG1-CD1 4.33Å
310	C	98.8	Very high	98.5	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-56.6	-46.4	-179.1	-68.4	0	0	0	0	112.7	L70 V149 I185 I306 T312 E313 V314	L70-C310 HydrophobicContact CD2-CB 3.75Å; V149-C310 HydrophobicContact CG2-CB 4.06Å; I185-C310 HydrophobicContact CG2-CB 3.75Å; I306-C310 PolarHBondContact O-N 2.56Å; I306-C310 PolarHBondContact O-SG 2.98Å; I306-C310 VanDerWaalsContact O-SG 3.37Å; C310-T312 VanDerWaalsContact C-N 3.32Å; C310-T312 PolarHBondContact O-N 2.84Å; C310-E313 PolarHBondContact O-N 2.75Å; C310-E313 VanDerWaalsContact O-N 3.14Å; C310-V314 WeakPolarHBondContact O-CG2 3.23Å; C310-V314 PolarHBondContact O-N 3.43Å
311	A	98.8	Very high	98.6	Very high	3 Å²	3	23.5 Å²	23.5	3%	0.025	15%	0.15	C	C	.	.	H	α-helix	trans	-65.5	-35	179.3	0	0	0	0	0	112.8	L70 N73 L74 A307 V309 E313 V314 F315	L70-A311 HydrophobicContact CD2-CB 4.29Å; N73-A311 HydrophobicContact CB-CB 3.36Å; L74-A311 HydrophobicContact CD2-CB 4.33Å; A307-A311 WeakPolarHBondContact O-CB 3.27Å; A307-A311 PolarHBondContact O-N 3.11Å; V309-A311 PolarHBondContact O-N 2.81Å; A311-E313 VanDerWaalsContact C-N 3.3Å; A311-V314 PolarHBondContact O-N 3.07Å; A311-F315 PolarHBondContact O-N 3.32Å
312	T	98.9	Very high	98.6	Very high	69 Å²	69	25 Å²	25	42%	0.423	15%	0.148	S	C	.	.	H	α-helix	trans	-63	-40.3	172.9	-58.1	0	0	0	0	110.7	A308 V309 C310 F315 K316	A308-T312 WeakPolarHBondContact O-CB 3.28Å; A308-T312 PolarHBondContact O-N 2.91Å; A308-T312 PolarHBondContact O-OG1 3.09Å; V309-T312 WeakPolarHBondContact O-CB 3.47Å; V309-T312 PolarHBondContact O-N 2.95Å; V309-T312 VanDerWaalsContact O-N 3.13Å; C310-T312 VanDerWaalsContact C-N 3.32Å; C310-T312 PolarHBondContact O-N 2.84Å; T312-F315 WeakPolarHBondContact O-CB 3.36Å; T312-F315 PolarHBondContact O-N 3.31Å; T312-K316 WeakPolarHBondContact O-CG 3.11Å; T312-K316 PolarHBondContact O-N 2.94Å
313	E	98.8	Very high	98.6	Very high	11 Å²	11	30.1 Å²	30.1	5%	0.051	17%	0.174	C	C	.	.	H	α-helix	trans	-68.8	-35.9	176.8	-60.5	-47.5	133.7	0	0	112.6	I185 V198 V309 C310 A311 F315 K316 I317 P324 L325	I185-E313 VanDerWaalsContact CD1-C 3.44Å; I185-E313 HydrophobicContact CD1-CB 3.71Å; I185-E313 HydrophobicContact CG2-CB 4.44Å; V198-E313 HydrophobicContact CG2-CB 3.67Å; V198-E313 HydrophobicContact CG2-CG 3.69Å; V309-E313 WeakPolarHBondContact O-CG 3.34Å; V309-E313 PolarHBondContact O-N 2.77Å; C310-E313 PolarHBondContact O-N 2.75Å; C310-E313 VanDerWaalsContact O-N 3.14Å; A311-E313 VanDerWaalsContact C-N 3.3Å; E313-F315 VanDerWaalsContact C-N 3.31Å; E313-F315 PolarHBondContact O-N 2.84Å; E313-K316 PolarHBondContact O-N 3.39Å; E313-K316 IonicContact OE1-NZ 3.93Å; E313-K316 PolarHBondContact OE1-NZ 2.83Å; E313-K316 WeakPolarHBondContact OE2-CD 3.5Å; E313-K316 IonicContact OE2-NZ 2.66Å; E313-I317 WeakPolarHBondContact O-CB 3.29Å; E313-I317 WeakPolarHBondContact O-CG1 3.45Å; E313-I317 PolarHBondContact O-N 3.4Å; E313-P324 WeakPolarHBondContact OE2-CA 3.28Å; E313-L325 VanDerWaalsContact CD-CB 3.43Å; E313-L325 HydrophobicContact CG-CB 3.95Å; E313-L325 WeakPolarHBondContact OE2-CB 3.28Å; E313-L325 PolarHBondContact OE2-N 3.34Å
314	V	98.8	Very high	98.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-59	-46.7	170.3	-179.9	0	0	0	0	109.9	V58 L74 F79 I147 V149 I185 C310 A311 K316 I317 A318	V58-V314 HydrophobicContact CG1-CG1 4.21Å; V58-V314 HydrophobicContact CG2-CG1 4.18Å; L74-V314 HydrophobicContact CD2-CB 3.77Å; L74-V314 HydrophobicContact CD2-CG1 3.66Å; L74-V314 HydrophobicContact CD2-CG2 4.04Å; F79-V314 HydrophobicContact CE1-CG1 3.99Å; F79-V314 HydrophobicContact CE2-CG1 4.19Å; F79-V314 HydrophobicContact CZ-CG1 3.65Å; I147-V314 HydrophobicContact CB-CG1 4.42Å; I147-V314 HydrophobicContact CD1-CG1 3.86Å; I147-V314 HydrophobicContact CG2-CG1 4.12Å; I147-V314 HydrophobicContact CG2-CG2 4.22Å; V149-V314 HydrophobicContact CB-CG2 4.05Å; V149-V314 HydrophobicContact CG1-CG2 4.43Å; V149-V314 HydrophobicContact CG2-CG2 4.29Å; I185-V314 HydrophobicContact CD1-CB 4.13Å; I185-V314 HydrophobicContact CD1-CG2 3.51Å; I185-V314 HydrophobicContact CG1-CG2 4.46Å; C310-V314 WeakPolarHBondContact O-CG2 3.23Å; C310-V314 PolarHBondContact O-N 3.43Å; A311-V314 PolarHBondContact O-N 3.07Å; V314-K316 PolarHBondContact O-N 2.63Å; V314-I317 PolarHBondContact O-N 2.79Å; V314-A318 WeakPolarHBondContact O-CB 3.29Å; V314-A318 PolarHBondContact O-N 2.7Å
315	F	98.8	Very high	98.6	Very high	22 Å²	22	31.1 Å²	31.1	10%	0.096	18%	0.177	C	C	.	.	H	α-helix	trans	-59.7	-46.6	178.5	-176.3	-94.7	0	0	0	112.1	V27 F30 L31 L52 F79 A311 T312 E313 A318 T319 A321	V27-F315 HydrophobicContact CG1-CE2 3.7Å; V27-F315 HydrophobicContact CG1-CZ 3.94Å; F30-F315 HydrophobicContact CB-CE1 4.21Å; F30-F315 HydrophobicContact CB-CZ 4.37Å; L31-F315 HydrophobicContact CD2-CZ 3.9Å; L31-F315 HydrophobicContact CG-CZ 4.32Å; L52-F315 HydrophobicContact CD2-CD2 4.3Å; L52-F315 HydrophobicContact CD2-CE2 3.98Å; F79-F315 HydrophobicContact CE2-CB 4.38Å; F79-F315 HydrophobicContact CE2-CD2 4.23Å; A311-F315 PolarHBondContact O-N 3.32Å; T312-F315 WeakPolarHBondContact O-CB 3.36Å; T312-F315 PolarHBondContact O-N 3.31Å; E313-F315 VanDerWaalsContact C-N 3.31Å; E313-F315 PolarHBondContact O-N 2.84Å; F315-A318 PolarHBondContact O-N 2.75Å; F315-T319 HydrophobicContact CD2-CG2 4.08Å; F315-T319 HydrophobicContact CE1-CG2 4.33Å; F315-T319 HydrophobicContact CE2-CG2 3.82Å; F315-T319 HydrophobicContact CG-CG2 4.45Å; F315-T319 HydrophobicContact CZ-CG2 3.95Å; F315-T319 WeakPolarHBondContact O-CB 3.33Å; F315-T319 VanDerWaalsContact O-CG2 3.28Å; F315-T319 WeakPolarHBondContact O-CG2 3.37Å; F315-T319 PolarHBondContact O-N 2.79Å; F315-T319 VanDerWaalsContact O-N 3.07Å; F315-T319 PolarHBondContact O-OG1 3.42Å; F315-A321 HydrophobicContact CE1-CB 4.12Å
316	K	98.7	Very high	98.5	Very high	41 Å²	41	32.2 Å²	32.2	18%	0.178	18%	0.181	C	C	.	.	H	α-helix	trans	-61.1	-46.3	178.2	-70.2	175.1	-177.2	167.7	0	112.3	T312 E313 V314 T319 S320	T312-K316 WeakPolarHBondContact O-CG 3.11Å; T312-K316 PolarHBondContact O-N 2.94Å; E313-K316 PolarHBondContact O-N 3.39Å; E313-K316 IonicContact OE1-NZ 3.93Å; E313-K316 PolarHBondContact OE1-NZ 2.83Å; E313-K316 WeakPolarHBondContact OE2-CD 3.5Å; E313-K316 IonicContact OE2-NZ 2.66Å; V314-K316 PolarHBondContact O-N 2.63Å; K316-T319 PolarHBondContact O-N 3.46Å; K316-S320 VanDerWaalsContact O-CA 3.29Å; K316-S320 WeakPolarHBondContact O-CA 3.47Å; K316-S320 PolarHBondContact O-N 2.9Å
317	I	98.5	Very high	98.4	Very high	33 Å²	33	32.4 Å²	32.4	17%	0.169	18%	0.182	C	C	.	.	H	α-helix	trans	-63.7	-44.2	179.3	-70.5	165.7	0	0	0	111	I147 P183 I185 V198 E313 V314 T319 P324	I147-I317 HydrophobicContact CD1-CB 3.94Å; I147-I317 HydrophobicContact CD1-CG2 3.62Å; I147-I317 HydrophobicContact CG1-CG2 3.99Å; P183-I317 HydrophobicContact CB-CD1 4.12Å; P183-I317 HydrophobicContact CB-CG2 4.03Å; P183-I317 HydrophobicContact CG-CG2 3.8Å; I185-I317 HydrophobicContact CD1-CD1 3.66Å; I185-I317 HydrophobicContact CG1-CD1 4.12Å; V198-I317 HydrophobicContact CG1-CD1 3.66Å; E313-I317 WeakPolarHBondContact O-CB 3.29Å; E313-I317 WeakPolarHBondContact O-CG1 3.45Å; E313-I317 PolarHBondContact O-N 3.4Å; V314-I317 PolarHBondContact O-N 2.79Å; I317-T319 VanDerWaalsContact C-N 3.3Å; I317-T319 PolarHBondContact O-N 2.93Å; I317-P324 HydrophobicContact CG1-CB 4.06Å; I317-P324 HydrophobicContact CG1-CG 3.73Å
318	A	98.3	Very high	98.3	Very high	28 Å²	28	33.2 Å²	33.2	23%	0.231	19%	0.185	C	C	.	.	H	α-helix	trans	-69.4	-27.4	-177.7	0	0	0	0	0	113.6	L52 F79 I147 V314 F315	L52-A318 HydrophobicContact CD1-CB 3.71Å; F79-A318 HydrophobicContact CE1-CB 3.72Å; F79-A318 HydrophobicContact CZ-CB 3.76Å; I147-A318 HydrophobicContact CD1-CB 3.73Å; V314-A318 WeakPolarHBondContact O-CB 3.29Å; V314-A318 PolarHBondContact O-N 2.7Å; F315-A318 PolarHBondContact O-N 2.75Å
319	T	98.2	Very high	98.3	Very high	22 Å²	22	32.1 Å²	32.1	14%	0.135	17%	0.173	C	C	.	.	H	α-helix	trans	-115.4	-12.3	-168.6	65.2	0	0	0	0	114	L31 L52 F315 K316 I317 A321	L31-T319 HydrophobicContact CD2-CG2 3.66Å; L52-T319 HydrophobicContact CD1-CG2 4.03Å; L52-T319 HydrophobicContact CD2-CG2 4.01Å; F315-T319 HydrophobicContact CD2-CG2 4.08Å; F315-T319 HydrophobicContact CE1-CG2 4.33Å; F315-T319 HydrophobicContact CE2-CG2 3.82Å; F315-T319 HydrophobicContact CG-CG2 4.45Å; F315-T319 HydrophobicContact CZ-CG2 3.95Å; F315-T319 WeakPolarHBondContact O-CB 3.33Å; F315-T319 VanDerWaalsContact O-CG2 3.28Å; F315-T319 WeakPolarHBondContact O-CG2 3.37Å; F315-T319 PolarHBondContact O-N 2.79Å; F315-T319 VanDerWaalsContact O-N 3.07Å; F315-T319 PolarHBondContact O-OG1 3.42Å; K316-T319 PolarHBondContact O-N 3.46Å; I317-T319 VanDerWaalsContact C-N 3.3Å; I317-T319 PolarHBondContact O-N 2.93Å; T319-A321 PolarHBondContact O-N 2.97Å; T319-A321 WeakPolarHBondContact OG1-CB 3.35Å; T319-A321 PolarHBondContact OG1-N 2.78Å
320	S	98.4	Very high	98.3	Very high	36 Å²	36	33 Å²	33	25%	0.252	18%	0.179	S	C	.	.			trans	55	14.5	-168.9	-61.1	0	0	0	0	114.1	H39 F42 K316 Y322	H39-S320 WeakPolarHBondContact CB-O 3.39Å; H39-S320 PolarHBondContact N-O 2.78Å; F42-S320 WeakPolarHBondContact CB-O 3.45Å; K316-S320 VanDerWaalsContact O-CA 3.29Å; K316-S320 WeakPolarHBondContact O-CA 3.47Å; K316-S320 PolarHBondContact O-N 2.9Å; S320-Y322 PolarHBondContact O-N 2.87Å; S320-Y322 VanDerWaalsContact O-N 3.1Å
321	A	98.1	Very high	98.2	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.008	18%	0.181	C	C	.	.	S	Bend	trans	-61.2	-27.8	-174.5	0	0	0	0	0	113.3	F30 T38 F42 F315 T319	F30-A321 HydrophobicContact CB-CB 4.36Å; T38-A321 WeakPolarHBondContact CA-O 3.46Å; F42-A321 HydrophobicContact CD2-CB 4.47Å; F42-A321 HydrophobicContact CE2-CB 4.24Å; F315-A321 HydrophobicContact CE1-CB 4.12Å; T319-A321 PolarHBondContact O-N 2.97Å; T319-A321 WeakPolarHBondContact OG1-CB 3.35Å; T319-A321 PolarHBondContact OG1-N 2.78Å
322	Y	98.7	Very high	98.2	Very high	92 Å²	92	35.6 Å²	35.6	36%	0.361	19%	0.191	S	C	.	.	S	Bend	trans	-147.7	162.8	173.4	-66.9	-93.3	0	0	0	109.8	F30 F37 S320	F30-Y322 AromaticContact CD1-CE2 3.78Å; F30-Y322 HydrophobicContact CD1-CE2 3.78Å; F30-Y322 HydrophobicContact CE1-CE2 4.23Å; F37-Y322 HydrophobicContact CB-CD1 3.97Å; F37-Y322 HydrophobicContact CB-CE1 3.9Å; F37-Y322 WeakPolarHBondContact O-CD1 3.49Å; S320-Y322 PolarHBondContact O-N 2.87Å; S320-Y322 VanDerWaalsContact O-N 3.1Å
323	I	98.2	Very high	98.1	Very high	108 Å²	108	34.2 Å²	34.2	55%	0.554	18%	0.181	S	C	*	.	P	Polyproline II helix	trans	-63.4	128.9	171.7	-53.4	171	0	0	0	109.2
324	P	98.4	Very high	98	Very high	37 Å²	37	38.4 Å²	38.4	24%	0.24	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-60	156.5	174.8	-23.6	34.3	0	0	0	112.7	V198 E313 I317 N326	V198-P324 HydrophobicContact CG1-CB 4.48Å; E313-P324 WeakPolarHBondContact OE2-CA 3.28Å; I317-P324 HydrophobicContact CG1-CB 4.06Å; I317-P324 HydrophobicContact CG1-CG 3.73Å; P324-N326 PolarHBondContact O-N 2.94Å
325	L	98	Very high	97.8	Very high	22 Å²	22	45.5 Å²	45.5	12%	0.115	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-51.1	125.1	168.8	168.5	65.3	0	0	0	109.3	V198 E313 N327 L329 T341	V198-L325 HydrophobicContact CG2-CB 4Å; V198-L325 HydrophobicContact CG2-CD2 4.4Å; V198-L325 HydrophobicContact CG2-CG 4.5Å; E313-L325 VanDerWaalsContact CD-CB 3.43Å; E313-L325 HydrophobicContact CG-CB 3.95Å; E313-L325 WeakPolarHBondContact OE2-CB 3.28Å; E313-L325 PolarHBondContact OE2-N 3.34Å; L325-N327 VanDerWaalsContact C-N 3.33Å; L325-N327 PolarHBondContact O-N 2.99Å; L325-L329 HydrophobicContact CD2-CB 3.9Å; L325-T341 HydrophobicContact CD1-CG2 3.37Å
326	N	97.3	Very high	97.7	Very high	76 Å²	76	47 Å²	47	41%	0.406	27%	0.268	S	S	.	.			trans	-77.3	87.9	178.5	-163	-4	0	0	0	110.5	P324 Y328 F342 E343	P324-N326 PolarHBondContact O-N 2.94Å; N326-Y328 PolarHBondContact O-N 3.16Å; N326-Y328 VanDerWaalsContact O-N 3.07Å; N326-F342 CarbonylContact O-C 3.58Å; N326-E343 PolarHBondContact ND2-OE2 3.02Å; N326-E343 WeakPolarHBondContact O-CA 3.45Å; N326-E343 WeakPolarHBondContact OD1-CG 3.16Å
327	N	95.5	Very high	97.6	Very high	3 Å²	3	51.9 Å²	51.9	2%	0.016	30%	0.295	C	S	.	.	S	Bend	trans	69.4	-71.1	178.7	-158.5	-85.7	0	0	0	117.4	R197 V198 A205 L325 A344	R197-N327 CarbonylContact C-O 3.51Å; R197-N327 WeakPolarHBondContact CA-O 3.42Å; R197-N327 VanDerWaalsContact CB-O 3.24Å; R197-N327 WeakPolarHBondContact CB-O 3.44Å; V198-N327 PolarHBondContact N-O 3.21Å; A205-N327 PolarHBondContact O-ND2 3.05Å; L325-N327 VanDerWaalsContact C-N 3.33Å; L325-N327 PolarHBondContact O-N 2.99Å; N327-A344 HydrophobicContact CB-CB 4.49Å; N327-A344 WeakPolarHBondContact OD1-CB 3.26Å
328	Y	97.9	Very high	97.6	Very high	17 Å²	17	56.4 Å²	56.4	7%	0.067	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	141.8	-159.4	-142.6	-79.8	0	0	0	114.7	N195 R197 L213 N326 V330 T341 F342	N195-Y328 HydrophobicContact CB-CE1 3.8Å; N195-Y328 PolarHBondContact ND2-OH 2.87Å; R197-Y328 HydrophobicContact CB-CD2 4.06Å; R197-Y328 HydrophobicContact CB-CE2 4.34Å; L213-Y328 HydrophobicContact CD1-CE2 3.99Å; N326-Y328 PolarHBondContact O-N 3.16Å; N326-Y328 VanDerWaalsContact O-N 3.07Å; Y328-V330 HydrophobicContact CD1-CG2 3.97Å; Y328-V330 HydrophobicContact CE1-CG2 3.72Å; Y328-T341 VanDerWaalsContact O-CA 3.3Å; Y328-T341 WeakPolarHBondContact O-CA 3.47Å; Y328-F342 WeakPolarHBondContact CB-O 3.12Å; Y328-F342 AromaticContact CD1-CE1 3.6Å; Y328-F342 HydrophobicContact CD1-CE1 3.6Å; Y328-F342 AromaticContact CD1-CZ 3.76Å; Y328-F342 HydrophobicContact CD1-CZ 3.76Å; Y328-F342 HydrophobicContact CD2-CZ 4.33Å; Y328-F342 HydrophobicContact CE1-CE1 4.43Å; Y328-F342 HydrophobicContact CE1-CZ 4.45Å; Y328-F342 AromaticContact CG-CE1 3.88Å; Y328-F342 HydrophobicContact CG-CE1 3.88Å; Y328-F342 HydrophobicContact CG-CE2 4.38Å; Y328-F342 AromaticContact CG-CZ 3.69Å; Y328-F342 HydrophobicContact CG-CZ 3.69Å; Y328-F342 PolarHBondContact N-O 3.13Å; Y328-F342 VanDerWaalsContact N-O 3.09Å; Y328-F342 PolarHBondContact O-N 2.74Å; Y328-F342 VanDerWaalsContact O-N 3.08Å
329	L	98.5	Very high	97.6	Very high	21 Å²	21	59 Å²	59	11%	0.11	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	135	169	-179.8	150.1	0	0	0	110.3	N195 A196 V309 L325 F331 Y340	N195-L329 CarbonylContact C-O 3.53Å; N195-L329 WeakPolarHBondContact CA-O 3.24Å; N195-L329 VanDerWaalsContact CB-O 3.29Å; N195-L329 WeakPolarHBondContact CB-O 3.37Å; A196-L329 PolarHBondContact N-O 3.39Å; A196-L329 PolarHBondContact O-N 3Å; V309-L329 HydrophobicContact CG1-CD1 4.33Å; L325-L329 HydrophobicContact CD2-CB 3.9Å; L329-F331 HydrophobicContact CD2-CB 4.37Å; L329-Y340 CarbonylContact C-O 3.57Å; L329-Y340 WeakPolarHBondContact CA-O 3.18Å
330	V	98	Very high	97.6	Very high	52 Å²	52	63.9 Å²	63.9	32%	0.315	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	144.6	169.2	178.5	0	0	0	0	109.3	Y328 T339 Y340	Y328-V330 HydrophobicContact CD1-CG2 3.97Å; Y328-V330 HydrophobicContact CE1-CG2 3.72Å; V330-T339 CarbonylContact O-C 3.55Å; V330-T339 WeakPolarHBondContact O-CA 3.1Å; V330-T339 WeakPolarHBondContact O-CB 3.36Å; V330-Y340 PolarHBondContact N-O 3.43Å; V330-Y340 PolarHBondContact O-N 2.8Å
331	F	98.4	Very high	97.6	Very high	10 Å²	10	65.6 Å²	65.6	4%	0.044	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	141.2	176.4	170.4	-102.4	0	0	0	110.8	K193 G194 T302 V305 I306 L329 D333 L337 Y338 T339	K193-F331 WeakPolarHBondContact CA-O 3.37Å; G194-F331 PolarHBondContact N-O 3.43Å; G194-F331 PolarHBondContact O-N 3.01Å; T302-F331 HydrophobicContact CG2-CD1 4.27Å; T302-F331 HydrophobicContact CG2-CE1 4.23Å; V305-F331 HydrophobicContact CB-CE1 4.38Å; V305-F331 HydrophobicContact CB-CZ 4.44Å; V305-F331 HydrophobicContact CG1-CD1 4.09Å; V305-F331 HydrophobicContact CG1-CD2 3.9Å; V305-F331 HydrophobicContact CG1-CE1 4.17Å; V305-F331 HydrophobicContact CG1-CE2 3.98Å; V305-F331 HydrophobicContact CG1-CG 3.94Å; V305-F331 HydrophobicContact CG1-CZ 4.1Å; V305-F331 HydrophobicContact CG2-CE1 4.4Å; V305-F331 HydrophobicContact CG2-CZ 4.08Å; I306-F331 HydrophobicContact CD1-CB 4Å; L329-F331 HydrophobicContact CD2-CB 4.37Å; F331-D333 HydrophobicContact CE1-CB 4.04Å; F331-D333 HydrophobicContact CE2-CB 4.41Å; F331-D333 HydrophobicContact CZ-CB 3.62Å; F331-L337 HydrophobicContact CE2-CD2 4.07Å; F331-L337 HydrophobicContact CZ-CD2 4.18Å; F331-Y338 CarbonylContact C-O 3.53Å; F331-Y338 WeakPolarHBondContact CA-O 3.37Å; F331-T339 HydrophobicContact CB-CG2 4.38Å; F331-T339 HydrophobicContact CD2-CG2 3.86Å
332	N	98	Very high	97.6	Very high	46 Å²	46	68.1 Å²	68.1	25%	0.246	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	127.8	174.5	-175.1	-7.4	0	0	0	110.5	F192 K193 V334 Y338	F192-N332 WeakPolarHBondContact O-CA 3.28Å; F192-N332 PolarHBondContact O-OD1 2.92Å; K193-N332 HydrophobicContact CG-CB 4.46Å; N332-V334 WeakPolarHBondContact OD1-CB 3.38Å; N332-V334 WeakPolarHBondContact OD1-CG2 3.22Å; N332-V334 PolarHBondContact OD1-N 3.49Å; N332-Y338 HydrophobicContact CB-CD1 4.49Å; N332-Y338 PolarHBondContact N-O 3.39Å; N332-Y338 PolarHBondContact O-N 3.16Å
333	D	96.2	Very high	97.6	Very high	40 Å²	40	70 Å²	70	21%	0.214	37%	0.373	C	S	.	.			trans	-117.7	21.2	176.9	68	-26.3	0	0	0	114.5	F192 F331 G336 L337	F192-D333 WeakPolarHBondContact CA-OD1 3.49Å; F192-D333 WeakPolarHBondContact CB-OD1 3.39Å; F192-D333 VanDerWaalsContact CD1-OD1 3.28Å; F192-D333 WeakPolarHBondContact CD1-OD1 3.48Å; F192-D333 PolarHBondContact O-N 3.11Å; F331-D333 HydrophobicContact CE1-CB 4.04Å; F331-D333 HydrophobicContact CE2-CB 4.41Å; F331-D333 HydrophobicContact CZ-CB 3.62Å; D333-G336 WeakPolarHBondContact CA-O 3.38Å; D333-L337 HydrophobicContact CB-CD2 3.74Å
334	V	96.8	Very high	97.5	Very high	100 Å²	100	65.3 Å²	65.3	61%	0.606	35%	0.35	S	S	*	.	S	Bend	trans	-71.6	-37.4	174.2	177.9	0	0	0	0	112.2	F192 N332	F192-V334 HydrophobicContact CB-CG2 3.6Å; F192-V334 HydrophobicContact CD2-CG2 4.46Å; F192-V334 HydrophobicContact CG-CG2 4.42Å; N332-V334 WeakPolarHBondContact OD1-CB 3.38Å; N332-V334 WeakPolarHBondContact OD1-CG2 3.22Å; N332-V334 PolarHBondContact OD1-N 3.49Å
335	D	95.5	Very high	97.4	Very high	149 Å²	149	71.5 Å²	71.5	80%	0.797	38%	0.376	S	S	*	.	S	Bend	trans	-132.3	98.8	178.2	-170.6	2.9	0	0	0	109.5
336	G	95.9	Very high	97.4	Very high	54 Å²	54	74.3 Å²	74.3	56%	0.557	39%	0.385	S	S	*	.	S	Bend	trans	63	-141	-170.3	0	0	0	0	0	112	D333	D333-G336 WeakPolarHBondContact CA-O 3.38Å
337	L	97.3	Very high	97.2	Very high	143 Å²	143	73.2 Å²	73.2	75%	0.749	38%	0.377	S	S	*	.			trans	-127.4	117.9	172.9	-63.4	173.3	0	0	0	108	F331 D333	F331-L337 HydrophobicContact CE2-CD2 4.07Å; F331-L337 HydrophobicContact CZ-CD2 4.18Å; D333-L337 HydrophobicContact CB-CD2 3.74Å
338	Y	98.1	Very high	97	Very high	127 Å²	127	81.7 Å²	81.7	50%	0.498	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	132.7	179	176	-99.5	0	0	0	110.5	F331 N332	F331-Y338 CarbonylContact C-O 3.53Å; F331-Y338 WeakPolarHBondContact CA-O 3.37Å; N332-Y338 HydrophobicContact CB-CD1 4.49Å; N332-Y338 PolarHBondContact N-O 3.39Å; N332-Y338 PolarHBondContact O-N 3.16Å
339	T	98.4	Very high	96.7	Very high	83 Å²	83	86 Å²	86	51%	0.509	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	148.2	167.4	58.4	0	0	0	0	111.1	V330 F331	V330-T339 CarbonylContact O-C 3.55Å; V330-T339 WeakPolarHBondContact O-CA 3.1Å; V330-T339 WeakPolarHBondContact O-CB 3.36Å; F331-T339 HydrophobicContact CB-CG2 4.38Å; F331-T339 HydrophobicContact CD2-CG2 3.86Å
340	Y	98	Very high	96.4	Very high	124 Å²	124	85 Å²	85	49%	0.486	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	127.2	171.3	-178.4	-122.1	0	0	0	109.5	L329 V330 F342	L329-Y340 CarbonylContact C-O 3.57Å; L329-Y340 WeakPolarHBondContact CA-O 3.18Å; V330-Y340 PolarHBondContact N-O 3.43Å; V330-Y340 PolarHBondContact O-N 2.8Å; Y340-F342 AromaticContact CD1-CD1 3.58Å; Y340-F342 HydrophobicContact CD1-CD1 3.58Å; Y340-F342 HydrophobicContact CD1-CE1 4.19Å; Y340-F342 HydrophobicContact CD1-CG 4.41Å; Y340-F342 HydrophobicContact CE1-CB 3.88Å; Y340-F342 AromaticContact CE1-CD1 3.45Å; Y340-F342 HydrophobicContact CE1-CD1 3.45Å; Y340-F342 VanDerWaalsContact CE1-CD1 3.45Å; Y340-F342 HydrophobicContact CE1-CE1 4.25Å; Y340-F342 AromaticContact CE1-CG 3.86Å; Y340-F342 HydrophobicContact CE1-CG 3.86Å
341	T	98.5	Very high	96	Very high	72 Å²	72	83.4 Å²	83.4	44%	0.442	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	130.5	-179.6	-68.7	0	0	0	0	109	L325 Y328	L325-T341 HydrophobicContact CD1-CG2 3.37Å; Y328-T341 VanDerWaalsContact O-CA 3.3Å; Y328-T341 WeakPolarHBondContact O-CA 3.47Å
342	F	97.8	Very high	95.7	Very high	55 Å²	55	83.4 Å²	83.4	24%	0.241	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	154.6	-179.7	68.4	-82.7	0	0	0	110.8	L213 N326 Y328 Y340 A344	L213-F342 HydrophobicContact CD1-CZ 4.28Å; N326-F342 CarbonylContact O-C 3.58Å; Y328-F342 WeakPolarHBondContact CB-O 3.12Å; Y328-F342 AromaticContact CD1-CE1 3.6Å; Y328-F342 HydrophobicContact CD1-CE1 3.6Å; Y328-F342 AromaticContact CD1-CZ 3.76Å; Y328-F342 HydrophobicContact CD1-CZ 3.76Å; Y328-F342 HydrophobicContact CD2-CZ 4.33Å; Y328-F342 HydrophobicContact CE1-CE1 4.43Å; Y328-F342 HydrophobicContact CE1-CZ 4.45Å; Y328-F342 AromaticContact CG-CE1 3.88Å; Y328-F342 HydrophobicContact CG-CE1 3.88Å; Y328-F342 HydrophobicContact CG-CE2 4.38Å; Y328-F342 AromaticContact CG-CZ 3.69Å; Y328-F342 HydrophobicContact CG-CZ 3.69Å; Y328-F342 PolarHBondContact N-O 3.13Å; Y328-F342 VanDerWaalsContact N-O 3.09Å; Y328-F342 PolarHBondContact O-N 2.74Å; Y328-F342 VanDerWaalsContact O-N 3.08Å; Y340-F342 AromaticContact CD1-CD1 3.58Å; Y340-F342 HydrophobicContact CD1-CD1 3.58Å; Y340-F342 HydrophobicContact CD1-CE1 4.19Å; Y340-F342 HydrophobicContact CD1-CG 4.41Å; Y340-F342 HydrophobicContact CE1-CB 3.88Å; Y340-F342 AromaticContact CE1-CD1 3.45Å; Y340-F342 HydrophobicContact CE1-CD1 3.45Å; Y340-F342 VanDerWaalsContact CE1-CD1 3.45Å; Y340-F342 HydrophobicContact CE1-CE1 4.25Å; Y340-F342 AromaticContact CE1-CG 3.86Å; Y340-F342 HydrophobicContact CE1-CG 3.86Å; F342-A344 HydrophobicContact CD2-CB 4.44Å; F342-A344 HydrophobicContact CE2-CB 3.88Å
343	E	98.2	Very high	95.4	Very high	131 Å²	131	81.2 Å²	81.2	61%	0.612	42%	0.415	S	S	*	.			trans	-84.7	110.5	171.1	-179.4	175.7	173.3	0	0	108.9	N326	N326-E343 PolarHBondContact ND2-OE2 3.02Å; N326-E343 WeakPolarHBondContact O-CA 3.45Å; N326-E343 WeakPolarHBondContact OD1-CG 3.16Å
344	A	97	Very high	95	Very high	10 Å²	10	80.3 Å²	80.3	8%	0.083	41%	0.412	C	S	.	.			trans	-71.3	134.3	173.5	0	0	0	0	0	110	A205 T210 N327 F342 R346	A205-A344 HydrophobicContact CB-CB 4.02Å; A205-A344 VanDerWaalsContact CB-O 3.29Å; A205-A344 WeakPolarHBondContact CB-O 3.45Å; T210-A344 HydrophobicContact CG2-CB 3.73Å; N327-A344 HydrophobicContact CB-CB 4.49Å; N327-A344 WeakPolarHBondContact OD1-CB 3.26Å; F342-A344 HydrophobicContact CD2-CB 4.44Å; F342-A344 HydrophobicContact CE2-CB 3.88Å; A344-R346 PolarHBondContact O-N 3.3Å
345	E	96.4	Very high	94.2	Very high	166 Å²	166	80.5 Å²	80.5	78%	0.776	41%	0.407	S	S	*	.			trans	-67.5	130.2	179.4	-169.9	-177.2	172	0	0	111	K347	E345-K347 PolarHBondContact O-N 2.9Å
346	R	96.7	Very high	93.4	Very high	81 Å²	81	79.8 Å²	79.8	31%	0.306	40%	0.402	S	S	.	.			trans	-76	112.3	170.7	-178.9	-175.1	171.4	-165.9	4.4	108.7	G202 M203 A205 A344 E348 C353	G202-R346 PolarHBondContact O-NH1 2.91Å; G202-R346 PolarHBondContact O-NH2 3.43Å; G202-R346 VanDerWaalsContact O-NH2 3.13Å; M203-R346 WeakPolarHBondContact O-CD 3.16Å; A205-R346 HydrophobicContact CB-CB 4.31Å; A344-R346 PolarHBondContact O-N 3.3Å; R346-E348 PolarHBondContact O-N 2.88Å; R346-C353 PolarHBondContact NH2-O 2.92Å
347	K	94.2	Very high	92.8	Very high	54 Å²	54	78.8 Å²	78.8	24%	0.235	39%	0.386	C	S	.	.			trans	-61.9	121.1	175.2	-66.6	178.7	178.1	163.9	0	110.6	C209 E212 E345 N349 C350	C209-K347 WeakPolarHBondContact O-CE 3.32Å; C209-K347 PolarHBondContact O-NZ 3.3Å; C209-K347 VanDerWaalsContact O-NZ 3.09Å; E212-K347 IonicContact OE1-NZ 3.95Å; E212-K347 PolarHBondContact OE1-NZ 3.19Å; E345-K347 PolarHBondContact O-N 2.9Å; K347-N349 PolarHBondContact O-N 3.16Å; K347-C350 HydrophobicContact CB-CB 4.1Å; K347-C350 VanDerWaalsContact O-CB 3.27Å; K347-C350 WeakPolarHBondContact O-CB 3.48Å; K347-C350 PolarHBondContact O-N 3.02Å; K347-C350 VanDerWaalsContact O-N 3.09Å
348	E	91.5	Very high	92.4	Very high	181 Å²	181	73.2 Å²	73.2	85%	0.846	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-32.5	176.4	-64	-172.9	163.5	0	0	112.1	R346 S354	R346-E348 PolarHBondContact O-N 2.88Å; E348-S354 VanDerWaalsContact O-CB 3.25Å; E348-S354 WeakPolarHBondContact O-CB 3.19Å
349	N	90.3	Very high	92	Very high	107 Å²	107	72 Å²	72	57%	0.572	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	32.2	175.8	67.9	-16.7	0	0	0	112.6	K347 Q358	K347-N349 PolarHBondContact O-N 3.16Å; N349-Q358 PolarHBondContact O-NE2 3.4Å; N349-Q358 PolarHBondContact O-OE1 3.44Å
350	C	92.5	Very high	91.8	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	33%	0.334	C	S	.	.			trans	-68.1	124	176	-179.6	0	0	0	0	111.2	C209 K347 A352 C353 S354 Q358	C209-C350 VanDerWaalsContact SG-SG 3.67Å; K347-C350 HydrophobicContact CB-CB 4.1Å; K347-C350 VanDerWaalsContact O-CB 3.27Å; K347-C350 WeakPolarHBondContact O-CB 3.48Å; K347-C350 PolarHBondContact O-N 3.02Å; K347-C350 VanDerWaalsContact O-N 3.09Å; C350-A352 PolarHBondContact O-N 3.23Å; C350-C353 VanDerWaalsContact CB-SG 3.55Å; C350-C353 VanDerWaalsContact SG-SG 3.62Å; C350-S354 WeakPolarHBondContact O-CB 3.38Å; C350-S354 PolarHBondContact O-N 3.3Å; C350-S354 PolarHBondContact O-OG 3.34Å; C350-Q358 PolarHBondContact O-NE2 3.27Å
351	P	89.8	Confident	91.6	Very high	19 Å²	19	69.1 Å²	69.1	12%	0.123	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-15.1	-179.7	30.7	-41.5	0	0	0	114.3	Q358 L381 V441	P351-Q358 HydrophobicContact CB-CG 4.09Å; P351-L381 HydrophobicContact CB-CD2 3.65Å; P351-L381 HydrophobicContact CG-CD2 3.61Å; P351-V441 HydrophobicContact CB-CG1 4.06Å; P351-V441 VanDerWaalsContact O-CG1 3.26Å; P351-V441 WeakPolarHBondContact O-CG1 3.46Å
352	A	92.4	Very high	91.5	Very high	9 Å²	9	66.9 Å²	66.9	7%	0.074	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-56.5	178.5	0	0	0	0	0	113.6	I166 E208 C350 Q439	I166-A352 HydrophobicContact CD1-CB 3.77Å; I166-A352 WeakPolarHBondContact CG2-O 3.24Å; E208-A352 HydrophobicContact CB-CB 3.99Å; E208-A352 HydrophobicContact CG-CB 3.5Å; E208-A352 VanDerWaalsContact CG-CB 3.5Å; C350-A352 PolarHBondContact O-N 3.23Å; A352-Q439 VanDerWaalsContact CB-NE2 3.26Å; A352-Q439 PolarHBondContact O-NE2 3.3Å
353	C	92.6	Very high	91.4	Very high	0 Å²	0	66 Å²	66	0%	0	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	2.1	-171.4	68.4	0	0	0	0	114.5	I166 C206 R346 C350	I166-C353 HydrophobicContact CD1-CB 3.86Å; I166-C353 HydrophobicContact CG1-CB 4.42Å; C206-C353 HydrophobicContact CB-CB 4.26Å; C206-C353 VanDerWaalsContact SG-SG 3.61Å; R346-C353 PolarHBondContact NH2-O 2.92Å; C350-C353 VanDerWaalsContact CB-SG 3.55Å; C350-C353 VanDerWaalsContact SG-SG 3.62Å
354	S	87.3	Confident	91.2	Very high	21 Å²	21	61.5 Å²	61.5	15%	0.147	31%	0.31	C	S	.	.			trans	-76.7	134.1	168.9	72.1	0	0	0	0	109.6	E348 C350 L356 Q358	E348-S354 VanDerWaalsContact O-CB 3.25Å; E348-S354 WeakPolarHBondContact O-CB 3.19Å; C350-S354 WeakPolarHBondContact O-CB 3.38Å; C350-S354 PolarHBondContact O-N 3.3Å; C350-S354 PolarHBondContact O-OG 3.34Å; S354-L356 PolarHBondContact O-N 3.34Å; S354-L356 PolarHBondContact OG-O 2.92Å; S354-Q358 PolarHBondContact OG-NE2 3.25Å
355	Q	80.2	Confident	91.2	Very high	105 Å²	105	65 Å²	65	49%	0.491	33%	0.334	S	S	.	.	S	Bend	trans	-72.8	-11.4	172.7	-68.6	-57.7	-61.3	0	0	113.2	Y171	Y171-Q355 HydrophobicContact CD1-CG 4.02Å; Y171-Q355 HydrophobicContact CE1-CG 3.54Å; Y171-Q355 HydrophobicContact CE2-CG 4.21Å; Y171-Q355 PolarHBondContact OH-NE2 2.85Å; Y171-Q355 VanDerWaalsContact OH-NE2 3.09Å
356	L	79.1	Confident	91.2	Very high	134 Å²	134	57.3 Å²	57.3	70%	0.702	30%	0.299	S	S	*	.	S	Bend	trans	-98	140.3	-178	-59	178.1	0	0	0	110.7	S354	S354-L356 PolarHBondContact O-N 3.34Å; S354-L356 PolarHBondContact OG-O 2.92Å
357	P	82.7	Confident	91.2	Very high	33 Å²	33	58.3 Å²	58.3	21%	0.214	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-55	143	167.5	-24.4	33.5	0	0	0	111.5	N359 L442 K444	P357-N359 PolarHBondContact O-N 3.42Å; P357-L442 CarbonylContact C-O 3.57Å; P357-L442 VanDerWaalsContact CA-O 3.31Å; P357-L442 WeakPolarHBondContact CA-O 3.21Å; P357-L442 HydrophobicContact CB-CB 3.97Å; P357-L442 HydrophobicContact CG-CB 4.15Å; P357-K444 HydrophobicContact CB-CB 4.14Å
358	Q	88.7	Confident	91.4	Very high	26 Å²	26	55.8 Å²	55.8	12%	0.121	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	121.8	179.4	-70.1	-61.4	-48.6	0	0	110.8	N349 C350 P351 S354 I360 L442 F443 K444	N349-Q358 PolarHBondContact O-NE2 3.4Å; N349-Q358 PolarHBondContact O-OE1 3.44Å; C350-Q358 PolarHBondContact O-NE2 3.27Å; P351-Q358 HydrophobicContact CB-CG 4.09Å; S354-Q358 PolarHBondContact OG-NE2 3.25Å; Q358-I360 PolarHBondContact O-N 3.45Å; Q358-L442 PolarHBondContact N-O 3.16Å; Q358-F443 HydrophobicContact CB-CD1 3.41Å; Q358-F443 VanDerWaalsContact CB-CD1 3.41Å; Q358-F443 HydrophobicContact CB-CE1 3.61Å; Q358-F443 HydrophobicContact CB-CG 4.22Å; Q358-F443 HydrophobicContact CG-CD1 4.38Å; Q358-F443 HydrophobicContact CG-CE1 4.15Å; Q358-F443 CarbonylContact O-C 3.55Å; Q358-F443 WeakPolarHBondContact O-CA 3.21Å; Q358-K444 PolarHBondContact O-N 3.43Å
359	N	90.3	Very high	91.7	Very high	100 Å²	100	50.3 Å²	50.3	54%	0.535	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	125.9	176.8	-66.9	-46.5	0	0	0	110.4	P357 K444 H446	P357-N359 PolarHBondContact O-N 3.42Å; N359-K444 WeakPolarHBondContact CA-O 3.16Å; N359-H446 PolarHBondContact OD1-CD2 2.95Å; N359-H446 PolarHBondContact OD1-NE2 3.26Å
360	I	93.2	Very high	92	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.015	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	139.8	173.2	56.7	173.9	0	0	0	110.2	Q358 F362 V371 Y374 L430 F443 K444 L445 H446	Q358-I360 PolarHBondContact O-N 3.45Å; I360-F362 HydrophobicContact CB-CD2 4.24Å; I360-F362 HydrophobicContact CB-CE2 4.03Å; I360-F362 HydrophobicContact CD1-CD2 4.28Å; I360-F362 HydrophobicContact CD1-CE2 4.15Å; I360-F362 HydrophobicContact CG1-CD2 4.38Å; I360-F362 HydrophobicContact CG1-CE2 4.43Å; I360-V371 HydrophobicContact CD1-CG1 4.36Å; I360-Y374 HydrophobicContact CG2-CD1 4.38Å; I360-Y374 HydrophobicContact CG2-CE1 3.6Å; I360-L430 HydrophobicContact CD1-CD1 3.98Å; I360-F443 HydrophobicContact CD1-CB 4.01Å; I360-F443 HydrophobicContact CG1-CB 4.32Å; I360-F443 HydrophobicContact CG2-CD1 3.58Å; I360-F443 HydrophobicContact CG2-CE1 4.25Å; I360-F443 HydrophobicContact CG2-CG 4.46Å; I360-K444 PolarHBondContact N-O 2.94Å; I360-L445 HydrophobicContact CD1-CD1 4.13Å; I360-L445 HydrophobicContact CG1-CD1 4.09Å; I360-H446 PolarHBondContact O-N 3.18Å
361	Q	94.6	Very high	92.2	Very high	144 Å²	144	49.6 Å²	49.6	67%	0.673	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.8	118.1	-175.5	-69.2	179	7.9	0	0	109.7	H446 T448	Q361-H446 WeakPolarHBondContact CA-O 3.31Å; Q361-H446 HydrophobicContact CG-CB 4.35Å; Q361-T448 HydrophobicContact CB-CG2 3.85Å; Q361-T448 HydrophobicContact CG-CG2 4.31Å
362	F	96.1	Very high	92.5	Very high	26 Å²	26	49.1 Å²	49.1	11%	0.114	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	153.7	176.6	-75.5	-86.5	0	0	0	109.8	I360 A366 E370 V371 Y374 L419 L445 H446 F447 T448	I360-F362 HydrophobicContact CB-CD2 4.24Å; I360-F362 HydrophobicContact CB-CE2 4.03Å; I360-F362 HydrophobicContact CD1-CD2 4.28Å; I360-F362 HydrophobicContact CD1-CE2 4.15Å; I360-F362 HydrophobicContact CG1-CD2 4.38Å; I360-F362 HydrophobicContact CG1-CE2 4.43Å; F362-A366 HydrophobicContact CB-CB 4.2Å; F362-A366 HydrophobicContact CD1-CB 4.06Å; F362-E370 HydrophobicContact CE1-CB 4.22Å; F362-V371 HydrophobicContact CD1-CG2 4.18Å; F362-V371 HydrophobicContact CD2-CG2 4.05Å; F362-V371 HydrophobicContact CE1-CG2 4.11Å; F362-V371 HydrophobicContact CE2-CB 4.5Å; F362-V371 HydrophobicContact CE2-CG1 4.45Å; F362-V371 HydrophobicContact CE2-CG2 3.97Å; F362-V371 HydrophobicContact CG-CG2 4.16Å; F362-V371 HydrophobicContact CZ-CB 4.37Å; F362-V371 HydrophobicContact CZ-CG2 4.02Å; F362-Y374 HydrophobicContact CE2-CD1 4.34Å; F362-Y374 HydrophobicContact CE2-CG 4.49Å; F362-Y374 HydrophobicContact CZ-CD1 4.22Å; F362-Y374 AromaticContact CZ-CG 3.95Å; F362-Y374 HydrophobicContact CZ-CG 3.95Å; F362-L419 HydrophobicContact CB-CD1 3.67Å; F362-L419 HydrophobicContact CG-CD1 4.31Å; F362-L445 HydrophobicContact CB-CD1 4.26Å; F362-L445 HydrophobicContact CD2-CD1 4.21Å; F362-H446 PolarHBondContact N-O 3.16Å; F362-H446 VanDerWaalsContact N-O 3.11Å; F362-F447 CarbonylContact O-C 3.53Å; F362-F447 VanDerWaalsContact O-CA 3.28Å; F362-F447 WeakPolarHBondContact O-CA 3.46Å; F362-T448 VanDerWaalsContact C-OG1 3.3Å; F362-T448 PolarHBondContact O-N 3.36Å; F362-T448 PolarHBondContact O-OG1 3.02Å
363	S	95.3	Very high	92.7	Very high	36 Å²	36	51.9 Å²	51.9	25%	0.252	27%	0.272	S	S	.	.			trans	-71.9	146.5	167.8	-179.8	0	0	0	0	109.3	S365 A366 T448	S363-S365 PolarHBondContact O-N 2.86Å; S363-S365 VanDerWaalsContact O-N 3.09Å; S363-S365 PolarHBondContact OG-OG 2.57Å; S363-A366 WeakPolarHBondContact O-CB 3.33Å; S363-A366 PolarHBondContact O-N 3Å; S363-T448 PolarHBondContact N-OG1 3.08Å
364	P	94.7	Very high	92.9	Very high	36 Å²	36	56 Å²	56	23%	0.234	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-20.9	174.3	23.7	-34.5	0	0	0	113.3	K420 F447 T448	P364-K420 HydrophobicContact CB-CB 4.33Å; P364-K420 WeakPolarHBondContact O-CB 3.45Å; P364-K420 PolarHBondContact O-N 3.49Å; P364-K420 VanDerWaalsContact O-N 3.09Å; P364-F447 HydrophobicContact CB-CD1 4.15Å; P364-F447 HydrophobicContact CB-CD2 4.07Å; P364-F447 HydrophobicContact CB-CE1 4.24Å; P364-F447 HydrophobicContact CB-CE2 4.17Å; P364-F447 HydrophobicContact CB-CG 4.09Å; P364-F447 HydrophobicContact CB-CZ 4.26Å; P364-T448 VanDerWaalsContact CD-O 3.28Å; P364-T448 WeakPolarHBondContact CD-O 3.28Å
365	S	96.1	Very high	93.2	Very high	83 Å²	83	55.1 Å²	55.1	58%	0.58	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-3.5	173.6	55.8	0	0	0	0	114.5	S363 T418	S363-S365 PolarHBondContact O-N 2.86Å; S363-S365 VanDerWaalsContact O-N 3.09Å; S363-S365 PolarHBondContact OG-OG 2.57Å; S365-T418 VanDerWaalsContact O-CG2 3.23Å; S365-T418 WeakPolarHBondContact O-CG2 3.42Å
366	A	96.8	Very high	93.9	Very high	6 Å²	6	52.2 Å²	52.2	5%	0.05	27%	0.272	C	S	.	.	S	Bend	trans	-64.2	145.8	173.5	0	0	0	0	0	110.1	F362 S363 E370 T418 L419	F362-A366 HydrophobicContact CB-CB 4.2Å; F362-A366 HydrophobicContact CD1-CB 4.06Å; S363-A366 WeakPolarHBondContact O-CB 3.33Å; S363-A366 PolarHBondContact O-N 3Å; A366-E370 WeakPolarHBondContact CA-OE1 3.28Å; A366-T418 CarbonylContact O-C 3.59Å; A366-T418 WeakPolarHBondContact O-CA 3.44Å; A366-L419 HydrophobicContact CB-CD1 4.36Å; A366-L419 WeakPolarHBondContact O-CG 3.36Å; A366-L419 PolarHBondContact O-N 3.19Å
367	K	97.6	Very high	94.6	Very high	102 Å²	102	51.5 Å²	51.5	44%	0.443	27%	0.269	S	S	.	.	B	Isolated β-bridge	trans	-81.1	152.5	176.2	-66.9	-179.9	179	177.3	0	111.1	Q369 E370 K417	K367-Q369 PolarHBondContact O-N 3.29Å; K367-E370 HydrophobicContact CB-CG 4.42Å; K367-E370 PolarHBondContact N-OE1 3.13Å; K367-E370 WeakPolarHBondContact O-CB 3.49Å; K367-E370 PolarHBondContact O-N 2.9Å; K367-K417 WeakPolarHBondContact CA-O 3.44Å
368	L	97.5	Very high	95	Very high	1 Å²	1	51 Å²	51	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-59.3	-30	174.3	-178.4	67.1	0	0	0	112.4	E370 V371 L372 I388 L399 N414 L415 K417 L419 L422	L368-E370 VanDerWaalsContact C-N 3.25Å; L368-E370 PolarHBondContact O-N 2.97Å; L368-V371 PolarHBondContact O-N 3.44Å; L368-L372 PolarHBondContact O-N 3.3Å; L368-I388 HydrophobicContact CD1-CD1 4Å; L368-L399 HydrophobicContact CD1-CD1 4.34Å; L368-L399 HydrophobicContact CD2-CB 3.84Å; L368-N414 HydrophobicContact CD2-CB 4.09Å; L368-L415 HydrophobicContact CD2-CD2 4.25Å; L368-L415 HydrophobicContact CG-CD2 4.26Å; L368-K417 PolarHBondContact N-O 2.82Å; L368-L419 HydrophobicContact CD1-CD2 4.43Å; L368-L422 HydrophobicContact CB-CD1 3.78Å; L368-L422 HydrophobicContact CD1-CD1 4.32Å; L368-L422 HydrophobicContact CD2-CD1 3.86Å; L368-L422 HydrophobicContact CG-CD1 4.2Å
369	Q	97.4	Very high	94.9	Very high	65 Å²	65	52.6 Å²	52.6	30%	0.304	28%	0.284	S	S	.	.	H	α-helix	trans	-56.2	-38.6	171.8	-172.9	64.4	52.3	0	0	112.5	K367 V371 L372 D373 L415	K367-Q369 PolarHBondContact O-N 3.29Å; Q369-V371 VanDerWaalsContact C-N 3.31Å; Q369-V371 PolarHBondContact O-N 2.89Å; Q369-L372 WeakPolarHBondContact O-CB 3.44Å; Q369-L372 PolarHBondContact O-N 3.43Å; Q369-D373 PolarHBondContact NE2-OD1 2.83Å; Q369-D373 WeakPolarHBondContact O-CB 3.49Å; Q369-D373 PolarHBondContact O-N 3.47Å; Q369-L415 HydrophobicContact CB-CB 4.41Å; Q369-L415 WeakPolarHBondContact CB-O 3.25Å; Q369-L415 PolarHBondContact N-O 3.38Å
370	E	97	Very high	94.8	Very high	91 Å²	91	49.8 Å²	49.8	43%	0.425	27%	0.272	S	S	.	.	H	α-helix	trans	-66.5	-35.7	-179.9	-62.4	173.1	-115.4	0	0	111.3	F362 A366 K367 L368 Y374	F362-E370 HydrophobicContact CE1-CB 4.22Å; A366-E370 WeakPolarHBondContact CA-OE1 3.28Å; K367-E370 HydrophobicContact CB-CG 4.42Å; K367-E370 PolarHBondContact N-OE1 3.13Å; K367-E370 WeakPolarHBondContact O-CB 3.49Å; K367-E370 PolarHBondContact O-N 2.9Å; L368-E370 VanDerWaalsContact C-N 3.25Å; L368-E370 PolarHBondContact O-N 2.97Å; E370-Y374 WeakPolarHBondContact O-CB 3.17Å; E370-Y374 PolarHBondContact O-N 3.42Å
371	V	96.6	Very high	94.6	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.006	27%	0.272	C	S	.	.	H	α-helix	trans	-67.2	-43.7	173	-177.1	0	0	0	0	110.6	I360 F362 L368 Q369 D373 Y374 L375 I388 L419	I360-V371 HydrophobicContact CD1-CG1 4.36Å; F362-V371 HydrophobicContact CD1-CG2 4.18Å; F362-V371 HydrophobicContact CD2-CG2 4.05Å; F362-V371 HydrophobicContact CE1-CG2 4.11Å; F362-V371 HydrophobicContact CE2-CB 4.5Å; F362-V371 HydrophobicContact CE2-CG1 4.45Å; F362-V371 HydrophobicContact CE2-CG2 3.97Å; F362-V371 HydrophobicContact CG-CG2 4.16Å; F362-V371 HydrophobicContact CZ-CB 4.37Å; F362-V371 HydrophobicContact CZ-CG2 4.02Å; L368-V371 PolarHBondContact O-N 3.44Å; Q369-V371 VanDerWaalsContact C-N 3.31Å; Q369-V371 PolarHBondContact O-N 2.89Å; V371-D373 VanDerWaalsContact C-N 3.35Å; V371-D373 PolarHBondContact O-N 2.86Å; V371-Y374 WeakPolarHBondContact O-CB 3.31Å; V371-Y374 PolarHBondContact O-N 3Å; V371-L375 HydrophobicContact CG1-CD1 4.35Å; V371-L375 WeakPolarHBondContact O-CG 3.39Å; V371-L375 PolarHBondContact O-N 3.03Å; V371-I388 HydrophobicContact CG1-CD1 4.18Å; V371-L419 HydrophobicContact CG2-CD1 4.18Å; V371-L419 HydrophobicContact CG2-CD2 3.84Å
372	L	96.5	Very high	94.3	Very high	9 Å²	9	47 Å²	47	5%	0.047	26%	0.258	C	S	.	.	H	α-helix	trans	-61.2	-44.3	177.2	-167.7	75.1	0	0	0	111.8	L368 Q369 Y374 L375 T376 P386 I388 Y400 L415	L368-L372 PolarHBondContact O-N 3.3Å; Q369-L372 WeakPolarHBondContact O-CB 3.44Å; Q369-L372 PolarHBondContact O-N 3.43Å; L372-Y374 VanDerWaalsContact C-N 3.33Å; L372-L375 PolarHBondContact O-N 3.02Å; L372-T376 WeakPolarHBondContact O-CB 3.46Å; L372-T376 PolarHBondContact O-N 3.42Å; L372-T376 PolarHBondContact O-OG1 3.49Å; L372-P386 HydrophobicContact CD1-CB 4.44Å; L372-P386 HydrophobicContact CD1-CG 3.77Å; L372-I388 HydrophobicContact CD1-CD1 4.05Å; L372-I388 HydrophobicContact CD1-CG1 4.47Å; L372-Y400 HydrophobicContact CD1-CD1 3.79Å; L372-Y400 HydrophobicContact CD1-CE1 4.21Å; L372-Y400 HydrophobicContact CD2-CD1 3.79Å; L372-Y400 HydrophobicContact CD2-CE1 3.54Å; L372-Y400 HydrophobicContact CG-CD1 4.45Å; L372-L415 HydrophobicContact CD2-CD2 3.98Å
373	D	96.1	Very high	94.1	Very high	68 Å²	68	46.1 Å²	46.1	36%	0.364	26%	0.255	S	S	.	.	H	α-helix	trans	-65.1	-38.3	178.1	-67.8	-17.1	0	0	0	110.9	Q369 V371 T376 N377	Q369-D373 PolarHBondContact NE2-OD1 2.83Å; Q369-D373 WeakPolarHBondContact O-CB 3.49Å; Q369-D373 PolarHBondContact O-N 3.47Å; V371-D373 VanDerWaalsContact C-N 3.35Å; V371-D373 PolarHBondContact O-N 2.86Å; D373-T376 PolarHBondContact O-N 3.44Å; D373-N377 WeakPolarHBondContact O-CB 3.37Å; D373-N377 PolarHBondContact O-N 3.38Å; D373-N377 PolarHBondContact O-ND2 2.94Å
374	Y	96.2	Very high	93.9	Very high	87 Å²	87	49.1 Å²	49.1	34%	0.341	26%	0.263	S	S	.	.	H	α-helix	trans	-61.5	-49	173.7	169.6	-101.5	0	0	0	112	I360 F362 E370 V371 L372 T376 S378 L381	I360-Y374 HydrophobicContact CG2-CD1 4.38Å; I360-Y374 HydrophobicContact CG2-CE1 3.6Å; F362-Y374 HydrophobicContact CE2-CD1 4.34Å; F362-Y374 HydrophobicContact CE2-CG 4.49Å; F362-Y374 HydrophobicContact CZ-CD1 4.22Å; F362-Y374 AromaticContact CZ-CG 3.95Å; F362-Y374 HydrophobicContact CZ-CG 3.95Å; E370-Y374 WeakPolarHBondContact O-CB 3.17Å; E370-Y374 PolarHBondContact O-N 3.42Å; V371-Y374 WeakPolarHBondContact O-CB 3.31Å; V371-Y374 PolarHBondContact O-N 3Å; L372-Y374 VanDerWaalsContact C-N 3.33Å; Y374-T376 VanDerWaalsContact C-N 3.25Å; Y374-T376 PolarHBondContact O-N 3.47Å; Y374-S378 WeakPolarHBondContact O-CB 3.23Å; Y374-S378 PolarHBondContact O-N 3.47Å; Y374-L381 HydrophobicContact CD1-CD1 4.37Å; Y374-L381 HydrophobicContact CE1-CD1 3.8Å
375	L	95.3	Very high	93.8	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-61.4	-36.3	178.9	-65.7	172.3	0	0	0	112.1	V371 L372 L381 M383 P386 I388 V432 F443	V371-L375 HydrophobicContact CG1-CD1 4.35Å; V371-L375 WeakPolarHBondContact O-CG 3.39Å; V371-L375 PolarHBondContact O-N 3.03Å; L372-L375 PolarHBondContact O-N 3.02Å; L375-L381 HydrophobicContact CD2-CD1 3.79Å; L375-M383 HydrophobicContact CB-SD 4.07Å; L375-M383 HydrophobicContact CD2-SD 4.26Å; L375-M383 WeakPolarHBondContact O-CB 3.19Å; L375-M383 PolarHBondContact O-N 2.84Å; L375-M383 VanDerWaalsContact O-N 3.1Å; L375-P386 HydrophobicContact CB-CB 4.33Å; L375-P386 HydrophobicContact CB-CG 4.04Å; L375-P386 HydrophobicContact CD1-CB 4.24Å; L375-I388 HydrophobicContact CD1-CD1 3.88Å; L375-I388 HydrophobicContact CD1-CG1 4.06Å; L375-V432 HydrophobicContact CD1-CG1 3.99Å; L375-V432 HydrophobicContact CD1-CG2 3.95Å; L375-F443 HydrophobicContact CD2-CD1 4.43Å; L375-F443 HydrophobicContact CD2-CD2 4.34Å; L375-F443 HydrophobicContact CD2-CE1 3.88Å; L375-F443 HydrophobicContact CD2-CE2 3.76Å; L375-F443 HydrophobicContact CD2-CZ 3.51Å
376	T	94.3	Very high	93.7	Very high	45 Å²	45	45.8 Å²	45.8	28%	0.276	24%	0.241	S	C	.	.	H	α-helix	trans	-79.1	-42.5	-177.6	-52.9	0	0	0	0	112.4	L372 D373 Y374	L372-T376 WeakPolarHBondContact O-CB 3.46Å; L372-T376 PolarHBondContact O-N 3.42Å; L372-T376 PolarHBondContact O-OG1 3.49Å; D373-T376 PolarHBondContact O-N 3.44Å; Y374-T376 VanDerWaalsContact C-N 3.25Å; Y374-T376 PolarHBondContact O-N 3.47Å
377	N	92.9	Very high	93.7	Very high	119 Å²	119	46 Å²	46	64%	0.636	24%	0.243	S	C	*	.	H	α-helix	trans	-101.1	-16.1	-169.5	-59.8	-53	0	0	0	114.2	D373 A379	D373-N377 WeakPolarHBondContact O-CB 3.37Å; D373-N377 PolarHBondContact O-N 3.38Å; D373-N377 PolarHBondContact O-ND2 2.94Å; N377-A379 PolarHBondContact O-N 3.47Å
378	S	91.1	Very high	93.7	Very high	23 Å²	23	41.1 Å²	41.1	16%	0.161	22%	0.221	C	C	.	.			trans	-59.3	127.3	177.3	177	0	0	0	0	110.2	Y374 S380 L381 Q382	Y374-S378 WeakPolarHBondContact O-CB 3.23Å; Y374-S378 PolarHBondContact O-N 3.47Å; S378-S380 PolarHBondContact O-N 3.11Å; S378-S380 VanDerWaalsContact O-N 3.13Å; S378-S380 PolarHBondContact OG-OG 2.72Å; S378-S380 VanDerWaalsContact OG-OG 3.04Å; S378-L381 PolarHBondContact O-N 2.92Å; S378-Q382 WeakPolarHBondContact O-CG 3.48Å; S378-Q382 PolarHBondContact O-N 3.25Å
379	A	87.7	Confident	93.7	Very high	59 Å²	59	43.2 Å²	43.2	49%	0.488	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-27.7	-178.8	0	0	0	0	0	112.8	N377 Q382	N377-A379 PolarHBondContact O-N 3.47Å; A379-Q382 WeakPolarHBondContact O-CG 3.47Å; A379-Q382 PolarHBondContact O-NE2 2.99Å
380	S	87.1	Confident	93.6	Very high	41 Å²	41	40.3 Å²	40.3	29%	0.287	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-15.5	178.7	62.4	0	0	0	0	114.3	S378	S378-S380 PolarHBondContact O-N 3.11Å; S378-S380 VanDerWaalsContact O-N 3.13Å; S378-S380 PolarHBondContact OG-OG 2.72Å; S378-S380 VanDerWaalsContact OG-OG 3.04Å
381	L	89.4	Confident	93.5	Very high	5 Å²	5	39.5 Å²	39.5	3%	0.026	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-52.8	-174.6	-57.2	-179.3	0	0	0	112.3	R159 P351 Y374 L375 S378 M383 F443	R159-L381 PolarHBondContact NH1-O 2.94Å; R159-L381 PolarHBondContact NH2-O 3.33Å; P351-L381 HydrophobicContact CB-CD2 3.65Å; P351-L381 HydrophobicContact CG-CD2 3.61Å; Y374-L381 HydrophobicContact CD1-CD1 4.37Å; Y374-L381 HydrophobicContact CE1-CD1 3.8Å; L375-L381 HydrophobicContact CD2-CD1 3.79Å; S378-L381 PolarHBondContact O-N 2.92Å; L381-M383 PolarHBondContact O-N 2.95Å; L381-M383 VanDerWaalsContact O-N 3.11Å; L381-F443 HydrophobicContact CD1-CE1 3.98Å; L381-F443 HydrophobicContact CD1-CZ 3.99Å; L381-F443 HydrophobicContact CD2-CE1 4.44Å; L381-F443 HydrophobicContact CD2-CZ 4.28Å
382	Q	88.6	Confident	93.2	Very high	82 Å²	82	40.2 Å²	40.2	38%	0.383	23%	0.227	S	C	.	.			trans	44.4	44.9	178.7	-52.2	-178.2	9.2	0	0	113.8	R159 L211 S378 A379	R159-Q382 PolarHBondContact NH1-O 3.5Å; L211-Q382 HydrophobicContact CD2-CB 4.3Å; L211-Q382 HydrophobicContact CD2-CG 4.33Å; S378-Q382 WeakPolarHBondContact O-CG 3.48Å; S378-Q382 PolarHBondContact O-N 3.25Å; A379-Q382 WeakPolarHBondContact O-CG 3.47Å; A379-Q382 PolarHBondContact O-NE2 2.99Å
383	M	92.8	Very high	92.8	Very high	8 Å²	8	49.1 Å²	49.1	4%	0.039	27%	0.268	C	S	.	.			trans	-66.5	147.2	179.4	-68.4	-178.4	169.9	0	0	110.4	L375 L381 P386 V432 D434 V441 F443	L375-M383 HydrophobicContact CB-SD 4.07Å; L375-M383 HydrophobicContact CD2-SD 4.26Å; L375-M383 WeakPolarHBondContact O-CB 3.19Å; L375-M383 PolarHBondContact O-N 2.84Å; L375-M383 VanDerWaalsContact O-N 3.1Å; L381-M383 PolarHBondContact O-N 2.95Å; L381-M383 VanDerWaalsContact O-N 3.11Å; M383-P386 HydrophobicContact CB-CB 4.07Å; M383-P386 HydrophobicContact CB-CG 4Å; M383-P386 HydrophobicContact SD-CB 3.87Å; M383-V432 HydrophobicContact CE-CG1 3.98Å; M383-V432 HydrophobicContact SD-CG1 3.6Å; M383-D434 WeakPolarHBondContact CA-OD2 3.39Å; M383-D434 HydrophobicContact CB-CB 4.27Å; M383-D434 HydrophobicContact CG-CB 4.22Å; M383-D434 HydrophobicContact SD-CB 4.28Å; M383-V441 HydrophobicContact CE-CB 4.34Å; M383-V441 HydrophobicContact CE-CG2 4.26Å; M383-F443 HydrophobicContact CE-CE2 4.06Å; M383-F443 HydrophobicContact CE-CZ 4.09Å
384	K	90.1	Very high	92.4	Very high	99 Å²	99	49.3 Å²	49.3	43%	0.43	29%	0.286	S	S	.	.	S	Bend	trans	-88.5	-45.4	-173.7	-75.8	-63.3	-174.5	-168.4	0	113.4	I156 D434 V435 T436	I156-K384 HydrophobicContact CD1-CG 4.44Å; K384-D434 PolarHBondContact N-OD1 2.87Å; K384-D434 PolarHBondContact N-OD2 2.68Å; K384-V435 HydrophobicContact CB-CG2 3.59Å; K384-V435 HydrophobicContact CG-CG2 4.33Å; K384-T436 HydrophobicContact CB-CG2 4.23Å; K384-T436 HydrophobicContact CG-CG2 3.75Å
385	S	92	Very high	92.2	Very high	49 Å²	49	52.8 Å²	52.8	34%	0.343	30%	0.303	S	S	.	.	S	Bend	trans	-150.7	63.8	-178.8	-57.1	0	0	0	0	109.6	D434	S385-D434 WeakPolarHBondContact CA-OD1 3.45Å; S385-D434 PolarHBondContact N-OD1 2.76Å
386	P	95.8	Very high	92	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	34%	0.337	C	S	.	.			trans	-62.6	140.7	-172	22	-30.4	0	0	0	112.1	L372 L375 M383 Q402 V432 A433	L372-P386 HydrophobicContact CD1-CB 4.44Å; L372-P386 HydrophobicContact CD1-CG 3.77Å; L375-P386 HydrophobicContact CB-CB 4.33Å; L375-P386 HydrophobicContact CB-CG 4.04Å; L375-P386 HydrophobicContact CD1-CB 4.24Å; M383-P386 HydrophobicContact CB-CB 4.07Å; M383-P386 HydrophobicContact CB-CG 4Å; M383-P386 HydrophobicContact SD-CB 3.87Å; P386-Q402 PolarHBondContact O-NE2 3.38Å; P386-V432 HydrophobicContact CB-CG1 3.94Å; P386-A433 WeakPolarHBondContact CA-O 3.33Å
387	A	96.5	Very high	92	Very high	10 Å²	10	64.3 Å²	64.3	8%	0.083	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	127.1	174.5	0	0	0	0	0	109.4	Y400 L401 V432 A433	A387-Y400 CarbonylContact C-O 3.45Å; A387-Y400 WeakPolarHBondContact CA-O 3.45Å; A387-L401 HydrophobicContact CB-CD1 3.31Å; A387-V432 VanDerWaalsContact O-CA 3.22Å; A387-V432 WeakPolarHBondContact O-CA 3.34Å; A387-A433 HydrophobicContact CB-CB 4.47Å; A387-A433 PolarHBondContact N-O 3.46Å; A387-A433 PolarHBondContact O-N 3.36Å
388	I	97.4	Very high	92.2	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	125	-173.7	-48.4	175.9	0	0	0	109.2	L368 V371 L372 L375 L399 Y400 L430 V432	L368-I388 HydrophobicContact CD1-CD1 4Å; V371-I388 HydrophobicContact CG1-CD1 4.18Å; L372-I388 HydrophobicContact CD1-CD1 4.05Å; L372-I388 HydrophobicContact CD1-CG1 4.47Å; L375-I388 HydrophobicContact CD1-CD1 3.88Å; L375-I388 HydrophobicContact CD1-CG1 4.06Å; I388-L399 HydrophobicContact CB-CB 4.43Å; I388-L399 HydrophobicContact CG2-CB 4.48Å; I388-L399 HydrophobicContact CG2-CD1 3.95Å; I388-L399 WeakPolarHBondContact O-CB 3.28Å; I388-L399 PolarHBondContact O-N 3.06Å; I388-Y400 PolarHBondContact N-O 3.16Å; I388-Y400 PolarHBondContact O-N 3.15Å; I388-L430 HydrophobicContact CG2-CB 4.36Å; I388-L430 HydrophobicContact CG2-CD1 4.39Å; I388-V432 HydrophobicContact CG1-CG2 4.46Å
389	T	97	Very high	92.5	Very high	45 Å²	45	60.4 Å²	60.4	28%	0.276	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	151.9	174.9	67.8	0	0	0	0	110.6	R397 T398 A431	T389-R397 WeakPolarHBondContact CA-O 3.47Å; T389-T398 HydrophobicContact CG2-CG2 4.42Å; T389-A431 PolarHBondContact N-O 3.34Å; T389-A431 PolarHBondContact O-N 2.94Å; T389-A431 VanDerWaalsContact OG1-CB 3.28Å; T389-A431 WeakPolarHBondContact OG1-CB 3.4Å; T389-A431 PolarHBondContact OG1-O 3.2Å; T389-A431 VanDerWaalsContact OG1-O 3.05Å
390	A	96	Very high	92.9	Very high	4 Å²	4	58.3 Å²	58.3	3%	0.033	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	154.8	177.5	0	0	0	0	0	111	L392 R397 L399 L424 L430	A390-L392 PolarHBondContact O-N 3.39Å; A390-R397 PolarHBondContact N-O 2.98Å; A390-R397 PolarHBondContact O-N 3.06Å; A390-L399 HydrophobicContact CB-CD1 3.99Å; A390-L399 HydrophobicContact CB-CG 4.37Å; A390-L424 HydrophobicContact CB-CD2 3.81Å; A390-L430 HydrophobicContact CB-CD2 3.74Å
391	T	93.9	Very high	93.3	Very high	74 Å²	74	58 Å²	58	45%	0.454	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	108.4	174	-50.2	0	0	0	0	110.5	K395 N396 Q428	T391-K395 CarbonylContact C-O 3.59Å; T391-K395 WeakPolarHBondContact CA-O 2.92Å; T391-N396 PolarHBondContact OG1-OD1 2.66Å; T391-Q428 PolarHBondContact O-NE2 3.07Å
392	L	91.3	Very high	93.3	Very high	17 Å²	17	60.9 Å²	60.9	9%	0.089	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	127.7	177.8	-67.3	171.4	0	0	0	109.1	A390 G394 K395 R397 L399 L422 G423 L424	A390-L392 PolarHBondContact O-N 3.39Å; L392-G394 PolarHBondContact O-N 3.21Å; L392-K395 PolarHBondContact N-O 3.1Å; L392-K395 PolarHBondContact O-N 3.07Å; L392-K395 VanDerWaalsContact O-O 3.06Å; L392-R397 HydrophobicContact CB-CB 4.43Å; L392-R397 HydrophobicContact CD1-CB 4.06Å; L392-R397 HydrophobicContact CD1-CG 4.39Å; L392-L399 HydrophobicContact CD1-CD2 3.93Å; L392-L422 VanDerWaalsContact CD1-O 3.3Å; L392-L422 WeakPolarHBondContact CD1-O 3.3Å; L392-G423 VanDerWaalsContact CD2-O 3.26Å; L392-G423 WeakPolarHBondContact CD2-O 3.18Å; L392-L424 HydrophobicContact CD2-CD2 4.1Å
393	E	88.5	Confident	93.3	Very high	195 Å²	195	61.5 Å²	61.5	91%	0.911	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	39.6	-178.5	-58.5	177.9	177.4	0	0	113.2	K395	E393-K395 PolarHBondContact O-N 2.72Å
394	G	87.5	Confident	93.2	Very high	72 Å²	72	64.1 Å²	64.1	74%	0.742	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.5	5.3	-179	0	0	0	0	0	115.2	L392	L392-G394 PolarHBondContact O-N 3.21Å
395	K	91.4	Very high	93.3	Very high	160 Å²	160	64.1 Å²	64.1	70%	0.696	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.3	136.3	178	-64.6	179.6	-177.7	174.5	0	111	T391 L392 E393 R397	T391-K395 CarbonylContact C-O 3.59Å; T391-K395 WeakPolarHBondContact CA-O 2.92Å; L392-K395 PolarHBondContact N-O 3.1Å; L392-K395 PolarHBondContact O-N 3.07Å; L392-K395 VanDerWaalsContact O-O 3.06Å; E393-K395 PolarHBondContact O-N 2.72Å; K395-R397 PolarHBondContact O-N 3.07Å
396	N	91.9	Very high	93.4	Very high	134 Å²	134	64.8 Å²	64.8	72%	0.717	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68	123.7	171.8	-71.9	-26.6	0	0	0	109.8	T391	T391-N396 PolarHBondContact OG1-OD1 2.66Å
397	R	94.1	Very high	93.4	Very high	154 Å²	154	67.7 Å²	67.7	58%	0.581	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123	128.6	-177.1	-156.9	174.5	-162.6	165.7	1.4	109.4	T389 A390 L392 K395 L399	T389-R397 WeakPolarHBondContact CA-O 3.47Å; A390-R397 PolarHBondContact N-O 2.98Å; A390-R397 PolarHBondContact O-N 3.06Å; L392-R397 HydrophobicContact CB-CB 4.43Å; L392-R397 HydrophobicContact CD1-CB 4.06Å; L392-R397 HydrophobicContact CD1-CG 4.39Å; K395-R397 PolarHBondContact O-N 3.07Å; R397-L399 PolarHBondContact O-N 3.31Å
398	T	96.4	Very high	93.3	Very high	59 Å²	59	68.2 Å²	68.2	36%	0.362	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	115.5	170.7	-51.1	0	0	0	0	109.1	T389 L401 I407 T411	T389-T398 HydrophobicContact CG2-CG2 4.42Å; T398-L401 HydrophobicContact CG2-CB 3.78Å; T398-I407 HydrophobicContact CG2-CG2 4.35Å; T398-T411 HydrophobicContact CG2-CG2 4.23Å
399	L	96.6	Very high	93.2	Very high	2 Å²	2	73.7 Å²	73.7	1%	0.01	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	-46	177.1	-56.3	-178	0	0	0	110.1	L368 I388 A390 L392 R397 T411 N414 L424 L430	L368-L399 HydrophobicContact CD1-CD1 4.34Å; L368-L399 HydrophobicContact CD2-CB 3.84Å; I388-L399 HydrophobicContact CB-CB 4.43Å; I388-L399 HydrophobicContact CG2-CB 4.48Å; I388-L399 HydrophobicContact CG2-CD1 3.95Å; I388-L399 WeakPolarHBondContact O-CB 3.28Å; I388-L399 PolarHBondContact O-N 3.06Å; A390-L399 HydrophobicContact CB-CD1 3.99Å; A390-L399 HydrophobicContact CB-CG 4.37Å; L392-L399 HydrophobicContact CD1-CD2 3.93Å; R397-L399 PolarHBondContact O-N 3.31Å; L399-T411 WeakPolarHBondContact O-CB 3.32Å; L399-N414 WeakPolarHBondContact O-CB 3.28Å; L399-N414 PolarHBondContact O-ND2 2.87Å; L399-L424 HydrophobicContact CD1-CD1 4.13Å; L399-L424 HydrophobicContact CD1-CD2 4.12Å; L399-L430 HydrophobicContact CD1-CD2 4.4Å
400	Y	97.1	Very high	93.2	Very high	15 Å²	15	81.3 Å²	81.3	6%	0.059	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	141.3	174.2	-172.3	-119.5	0	0	0	112	L372 A387 I388 Q402 E408 R412 L415	L372-Y400 HydrophobicContact CD1-CD1 3.79Å; L372-Y400 HydrophobicContact CD1-CE1 4.21Å; L372-Y400 HydrophobicContact CD2-CD1 3.79Å; L372-Y400 HydrophobicContact CD2-CE1 3.54Å; L372-Y400 HydrophobicContact CG-CD1 4.45Å; A387-Y400 CarbonylContact C-O 3.45Å; A387-Y400 WeakPolarHBondContact CA-O 3.45Å; I388-Y400 PolarHBondContact N-O 3.16Å; I388-Y400 PolarHBondContact O-N 3.15Å; Y400-Q402 HydrophobicContact CD1-CG 4.17Å; Y400-Q402 HydrophobicContact CE1-CG 3.3Å; Y400-E408 HydrophobicContact CE2-CG 4.11Å; Y400-E408 PolarHBondContact OH-OE1 3.14Å; Y400-E408 VanDerWaalsContact OH-OE1 3.06Å; Y400-R412 HydrophobicContact CE2-CB 4.3Å; Y400-L415 HydrophobicContact CD1-CD2 3.86Å; Y400-L415 HydrophobicContact CD2-CD1 3.98Å; Y400-L415 HydrophobicContact CD2-CD2 3.99Å; Y400-L415 HydrophobicContact CD2-CG 3.92Å; Y400-L415 HydrophobicContact CE1-CD1 4.13Å; Y400-L415 HydrophobicContact CE1-CD2 4.21Å; Y400-L415 HydrophobicContact CE2-CD1 3.61Å; Y400-L415 HydrophobicContact CE2-CD2 4.4Å; Y400-L415 HydrophobicContact CE2-CG 4.09Å; Y400-L415 HydrophobicContact CG-CD1 4.43Å; Y400-L415 HydrophobicContact CG-CD2 3.71Å; Y400-L415 HydrophobicContact CG-CG 4.19Å
401	L	94.8	Very high	93.2	Very high	34 Å²	34	81.7 Å²	81.7	18%	0.178	43%	0.428	C	S	.	.			trans	-147.8	127.7	178.2	175.8	69.1	0	0	0	110	A387 T398 S403 I407 E408 T411	A387-L401 HydrophobicContact CB-CD1 3.31Å; T398-L401 HydrophobicContact CG2-CB 3.78Å; L401-S403 WeakPolarHBondContact CD1-OG 3.4Å; L401-I407 HydrophobicContact CB-CG2 4.02Å; L401-I407 HydrophobicContact CD2-CB 4.12Å; L401-I407 HydrophobicContact CD2-CD1 3.87Å; L401-I407 HydrophobicContact CD2-CG2 3.87Å; L401-I407 HydrophobicContact CG-CG2 4.47Å; L401-E408 WeakPolarHBondContact O-CA 3.32Å; L401-E408 WeakPolarHBondContact O-CB 3.29Å; L401-E408 PolarHBondContact O-N 3.46Å; L401-T411 PolarHBondContact N-OG1 2.9Å
402	Q	90.7	Very high	93.3	Very high	66 Å²	66	84.2 Å²	84.2	31%	0.308	43%	0.429	S	S	.	.	S	Bend	trans	-96.6	-20.8	-176.1	-67.5	179	64.7	0	0	114.7	P386 Y400 V404	P386-Q402 PolarHBondContact O-NE2 3.38Å; Y400-Q402 HydrophobicContact CD1-CG 4.17Å; Y400-Q402 HydrophobicContact CE1-CG 3.3Å; Q402-V404 PolarHBondContact O-N 2.95Å
403	S	87.6	Confident	93.6	Very high	94 Å²	94	86.9 Å²	86.9	66%	0.657	45%	0.448	S	S	*	.	S	Bend	trans	-72.6	-24.4	-168.2	57.6	0	0	0	0	114.7	L401	L401-S403 WeakPolarHBondContact CD1-OG 3.4Å
404	V	91.1	Very high	94.1	Very high	64 Å²	64	78.9 Å²	78.9	39%	0.388	41%	0.411	S	S	.	.	S	Bend	trans	-122.2	109.8	-178.8	-178.1	0	0	0	0	108.6	Q402 S406 I407 E408	Q402-V404 PolarHBondContact O-N 2.95Å; V404-S406 WeakPolarHBondContact CG1-OG 3.28Å; V404-S406 PolarHBondContact O-N 3.08Å; V404-S406 VanDerWaalsContact O-N 3.09Å; V404-I407 HydrophobicContact CB-CB 4.39Å; V404-I407 HydrophobicContact CB-CD1 4.16Å; V404-I407 HydrophobicContact CB-CG1 4.25Å; V404-I407 HydrophobicContact CG1-CD1 4.24Å; V404-I407 HydrophobicContact CG1-CG1 4.13Å; V404-I407 PolarHBondContact O-N 3.25Å; V404-E408 PolarHBondContact O-N 2.98Å
405	T	92.4	Very high	94.5	Very high	98 Å²	98	76.2 Å²	76.2	60%	0.601	38%	0.38	S	S	*	.	H	α-helix	trans	-50.5	-40.6	-173.2	-43.4	0	0	0	0	113.1	I407 E408 E409	T405-I407 VanDerWaalsContact C-N 3.34Å; T405-I407 PolarHBondContact O-N 3.4Å; T405-E408 PolarHBondContact O-N 3.26Å; T405-E409 WeakPolarHBondContact O-CG 3.49Å; T405-E409 PolarHBondContact O-N 3.16Å
406	S	94.4	Very high	94.8	Very high	63 Å²	63	72.2 Å²	72.2	44%	0.441	37%	0.372	S	S	.	.	H	α-helix	trans	-67.6	-29.8	-179.9	63.5	0	0	0	0	114.1	V404 R410	V404-S406 WeakPolarHBondContact CG1-OG 3.28Å; V404-S406 PolarHBondContact O-N 3.08Å; V404-S406 VanDerWaalsContact O-N 3.09Å; S406-R410 WeakPolarHBondContact O-CD 3.49Å; S406-R410 VanDerWaalsContact O-CG 3.23Å; S406-R410 WeakPolarHBondContact O-CG 3.4Å
407	I	94.5	Very high	95.1	Very high	61 Å²	61	69.7 Å²	69.7	31%	0.313	36%	0.355	S	S	.	.	H	α-helix	trans	-85.3	-38.3	175.5	-56.8	177	0	0	0	109.7	T398 L401 V404 T405 E409 R410 T411	T398-I407 HydrophobicContact CG2-CG2 4.35Å; L401-I407 HydrophobicContact CB-CG2 4.02Å; L401-I407 HydrophobicContact CD2-CB 4.12Å; L401-I407 HydrophobicContact CD2-CD1 3.87Å; L401-I407 HydrophobicContact CD2-CG2 3.87Å; L401-I407 HydrophobicContact CG-CG2 4.47Å; V404-I407 HydrophobicContact CB-CB 4.39Å; V404-I407 HydrophobicContact CB-CD1 4.16Å; V404-I407 HydrophobicContact CB-CG1 4.25Å; V404-I407 HydrophobicContact CG1-CD1 4.24Å; V404-I407 HydrophobicContact CG1-CG1 4.13Å; V404-I407 PolarHBondContact O-N 3.25Å; T405-I407 VanDerWaalsContact C-N 3.34Å; T405-I407 PolarHBondContact O-N 3.4Å; I407-E409 PolarHBondContact O-N 3.09Å; I407-R410 PolarHBondContact O-N 3.44Å; I407-T411 HydrophobicContact CG2-CG2 4.04Å; I407-T411 WeakPolarHBondContact O-CB 3.45Å; I407-T411 WeakPolarHBondContact O-CG2 3.45Å; I407-T411 PolarHBondContact O-N 3.27Å; I407-T411 PolarHBondContact O-OG1 2.95Å
408	E	95.6	Very high	95.2	Very high	22 Å²	22	63.6 Å²	63.6	10%	0.103	34%	0.335	C	S	.	.	H	α-helix	trans	-54.7	-51.9	174.7	-170	-75.9	148.5	0	0	110.1	Y400 L401 V404 T405 R410 T411 R412	Y400-E408 HydrophobicContact CE2-CG 4.11Å; Y400-E408 PolarHBondContact OH-OE1 3.14Å; Y400-E408 VanDerWaalsContact OH-OE1 3.06Å; L401-E408 WeakPolarHBondContact O-CA 3.32Å; L401-E408 WeakPolarHBondContact O-CB 3.29Å; L401-E408 PolarHBondContact O-N 3.46Å; V404-E408 PolarHBondContact O-N 2.98Å; T405-E408 PolarHBondContact O-N 3.26Å; E408-R410 VanDerWaalsContact C-N 3.32Å; E408-R410 PolarHBondContact O-N 3.5Å; E408-T411 PolarHBondContact O-N 2.95Å; E408-T411 VanDerWaalsContact O-N 3.15Å; E408-T411 PolarHBondContact O-OG1 2.98Å; E408-R412 VanDerWaalsContact CD-NH2 3.33Å; E408-R412 VanDerWaalsContact O-CB 3.27Å; E408-R412 WeakPolarHBondContact O-CB 3.45Å; E408-R412 PolarHBondContact O-N 3.27Å; E408-R412 IonicContact OE1-CZ 3.46Å; E408-R412 IonicContact OE1-NE 2.79Å; E408-R412 PolarHBondContact OE1-NE 3.29Å; E408-R412 IonicContact OE1-NH2 3.31Å; E408-R412 PolarHBondContact OE1-NH2 3.27Å; E408-R412 IonicContact OE2-CZ 3.34Å; E408-R412 IonicContact OE2-NE 3.41Å; E408-R412 PolarHBondContact OE2-NE 3.44Å; E408-R412 IonicContact OE2-NH2 2.61Å; E408-R412 PolarHBondContact OE2-NH2 3.11Å
409	E	95.2	Very high	95.2	Very high	115 Å²	115	60.8 Å²	60.8	54%	0.537	32%	0.318	S	S	.	.	H	α-helix	trans	-61.2	-38.3	179.1	-72.6	175	172.3	0	0	113	T405 I407 T411 P413	T405-E409 WeakPolarHBondContact O-CG 3.49Å; T405-E409 PolarHBondContact O-N 3.16Å; I407-E409 PolarHBondContact O-N 3.09Å; E409-T411 VanDerWaalsContact C-N 3.34Å; E409-P413 WeakPolarHBondContact O-CD 3.37Å
410	R	95.8	Very high	95.1	Very high	204 Å²	204	68.2 Å²	68.2	77%	0.77	35%	0.35	S	S	*	.	H	α-helix	trans	-72.1	-28.3	179.1	-73	174.7	-176.7	-170.8	1.6	113.1	S406 I407 E408	S406-R410 WeakPolarHBondContact O-CD 3.49Å; S406-R410 VanDerWaalsContact O-CG 3.23Å; S406-R410 WeakPolarHBondContact O-CG 3.4Å; I407-R410 PolarHBondContact O-N 3.44Å; E408-R410 VanDerWaalsContact C-N 3.32Å; E408-R410 PolarHBondContact O-N 3.5Å
411	T	96.7	Very high	95	Very high	12 Å²	12	73.8 Å²	73.8	7%	0.074	38%	0.376	C	S	.	.	H	α-helix	trans	-101.3	-19	-176.4	57.3	0	0	0	0	113	T398 L399 L401 I407 E408 E409 P413 N414	T398-T411 HydrophobicContact CG2-CG2 4.23Å; L399-T411 WeakPolarHBondContact O-CB 3.32Å; L401-T411 PolarHBondContact N-OG1 2.9Å; I407-T411 HydrophobicContact CG2-CG2 4.04Å; I407-T411 WeakPolarHBondContact O-CB 3.45Å; I407-T411 WeakPolarHBondContact O-CG2 3.45Å; I407-T411 PolarHBondContact O-N 3.27Å; I407-T411 PolarHBondContact O-OG1 2.95Å; E408-T411 PolarHBondContact O-N 2.95Å; E408-T411 VanDerWaalsContact O-N 3.15Å; E408-T411 PolarHBondContact O-OG1 2.98Å; E409-T411 VanDerWaalsContact C-N 3.34Å; T411-P413 VanDerWaalsContact C-N 3.3Å; T411-N414 WeakPolarHBondContact O-CB 3.23Å; T411-N414 PolarHBondContact O-N 3.42Å
412	R	96.9	Very high	95.1	Very high	127 Å²	127	73.1 Å²	73.1	48%	0.479	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-50	-40.1	174.8	-169.3	-170	-61.8	164.3	-1.9	113.5	Y400 E408 N414 L415	Y400-R412 HydrophobicContact CE2-CB 4.3Å; E408-R412 VanDerWaalsContact CD-NH2 3.33Å; E408-R412 VanDerWaalsContact O-CB 3.27Å; E408-R412 WeakPolarHBondContact O-CB 3.45Å; E408-R412 PolarHBondContact O-N 3.27Å; E408-R412 IonicContact OE1-CZ 3.46Å; E408-R412 IonicContact OE1-NE 2.79Å; E408-R412 PolarHBondContact OE1-NE 3.29Å; E408-R412 IonicContact OE1-NH2 3.31Å; E408-R412 PolarHBondContact OE1-NH2 3.27Å; E408-R412 IonicContact OE2-CZ 3.34Å; E408-R412 IonicContact OE2-NE 3.41Å; E408-R412 PolarHBondContact OE2-NE 3.44Å; E408-R412 IonicContact OE2-NH2 2.61Å; E408-R412 PolarHBondContact OE2-NH2 3.11Å; R412-N414 PolarHBondContact O-N 2.95Å; R412-N414 VanDerWaalsContact O-N 3.1Å; R412-L415 HydrophobicContact CG-CD1 4.16Å; R412-L415 WeakPolarHBondContact O-CB 3.42Å; R412-L415 WeakPolarHBondContact O-CG 3.2Å; R412-L415 PolarHBondContact O-N 3.03Å
413	P	97.5	Very high	95.3	Very high	73 Å²	73	72 Å²	72	47%	0.474	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-61.5	-17.8	175.3	-24.8	35.7	0	0	0	114.8	E409 T411 L415 S416	E409-P413 WeakPolarHBondContact O-CD 3.37Å; T411-P413 VanDerWaalsContact C-N 3.3Å; P413-L415 VanDerWaalsContact C-N 3.32Å; P413-S416 PolarHBondContact O-OG 3.16Å
414	N	97.3	Very high	95.6	Very high	27 Å²	27	67.8 Å²	67.8	14%	0.144	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-75.5	-21.4	175.7	-63.3	-30.5	0	0	0	112.5	L368 L399 T411 R412 S416 K417 L422	L368-N414 HydrophobicContact CD2-CB 4.09Å; L399-N414 WeakPolarHBondContact O-CB 3.28Å; L399-N414 PolarHBondContact O-ND2 2.87Å; T411-N414 WeakPolarHBondContact O-CB 3.23Å; T411-N414 PolarHBondContact O-N 3.42Å; R412-N414 PolarHBondContact O-N 2.95Å; R412-N414 VanDerWaalsContact O-N 3.1Å; N414-S416 PolarHBondContact O-N 2.71Å; N414-K417 WeakPolarHBondContact O-CB 3.48Å; N414-K417 PolarHBondContact O-N 2.99Å; N414-K417 VanDerWaalsContact O-N 3.08Å; N414-K417 PolarHBondContact OD1-NZ 3.49Å; N414-L422 HydrophobicContact CB-CD2 3.85Å
415	L	97.2	Very high	95.7	Very high	16 Å²	16	69 Å²	69	8%	0.084	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-30	-179.2	-67.2	173.7	0	0	0	113	L368 Q369 L372 Y400 R412 P413	L368-L415 HydrophobicContact CD2-CD2 4.25Å; L368-L415 HydrophobicContact CG-CD2 4.26Å; Q369-L415 HydrophobicContact CB-CB 4.41Å; Q369-L415 WeakPolarHBondContact CB-O 3.25Å; Q369-L415 PolarHBondContact N-O 3.38Å; L372-L415 HydrophobicContact CD2-CD2 3.98Å; Y400-L415 HydrophobicContact CD1-CD2 3.86Å; Y400-L415 HydrophobicContact CD2-CD1 3.98Å; Y400-L415 HydrophobicContact CD2-CD2 3.99Å; Y400-L415 HydrophobicContact CD2-CG 3.92Å; Y400-L415 HydrophobicContact CE1-CD1 4.13Å; Y400-L415 HydrophobicContact CE1-CD2 4.21Å; Y400-L415 HydrophobicContact CE2-CD1 3.61Å; Y400-L415 HydrophobicContact CE2-CD2 4.4Å; Y400-L415 HydrophobicContact CE2-CG 4.09Å; Y400-L415 HydrophobicContact CG-CD1 4.43Å; Y400-L415 HydrophobicContact CG-CD2 3.71Å; Y400-L415 HydrophobicContact CG-CG 4.19Å; R412-L415 HydrophobicContact CG-CD1 4.16Å; R412-L415 WeakPolarHBondContact O-CB 3.42Å; R412-L415 WeakPolarHBondContact O-CG 3.2Å; R412-L415 PolarHBondContact O-N 3.03Å; P413-L415 VanDerWaalsContact C-N 3.32Å
416	S	97.1	Very high	95.8	Very high	76 Å²	76	69 Å²	69	53%	0.531	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-10.8	177.8	56.4	0	0	0	0	114.1	P413 N414	P413-S416 PolarHBondContact O-OG 3.16Å; N414-S416 PolarHBondContact O-N 2.71Å
417	K	97.3	Very high	95.6	Very high	81 Å²	81	67.2 Å²	67.2	35%	0.352	35%	0.345	S	S	.	.	S	Bend	trans	-81	147	176	-62.5	178.3	-172.5	164.5	0	110.2	K367 L368 N414 E421 L422	K367-K417 WeakPolarHBondContact CA-O 3.44Å; L368-K417 PolarHBondContact N-O 2.82Å; N414-K417 WeakPolarHBondContact O-CB 3.48Å; N414-K417 PolarHBondContact O-N 2.99Å; N414-K417 VanDerWaalsContact O-N 3.08Å; N414-K417 PolarHBondContact OD1-NZ 3.49Å; K417-E421 WeakPolarHBondContact CA-OE2 3.43Å; K417-E421 HydrophobicContact CB-CB 4.23Å; K417-L422 HydrophobicContact CB-CD1 4.49Å; K417-L422 HydrophobicContact CB-CD2 3.98Å; K417-L422 HydrophobicContact CB-CG 3.93Å; K417-L422 HydrophobicContact CD-CD2 3.74Å; K417-L422 HydrophobicContact CG-CD2 4.5Å
418	T	97.2	Very high	95.5	Very high	27 Å²	27	65.5 Å²	65.5	17%	0.166	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-73.2	159	174.2	63.1	0	0	0	0	111.7	S365 A366 K420 E421 L422	S365-T418 VanDerWaalsContact O-CG2 3.23Å; S365-T418 WeakPolarHBondContact O-CG2 3.42Å; A366-T418 CarbonylContact O-C 3.59Å; A366-T418 WeakPolarHBondContact O-CA 3.44Å; T418-K420 PolarHBondContact O-N 2.8Å; T418-E421 WeakPolarHBondContact CG2-OE2 3.35Å; T418-E421 PolarHBondContact N-OE2 3.02Å; T418-E421 PolarHBondContact O-N 3Å; T418-E421 VanDerWaalsContact O-N 3.11Å; T418-E421 WeakPolarHBondContact OG1-CB 3.35Å; T418-E421 VanDerWaalsContact OG1-CD 3.31Å; T418-E421 WeakPolarHBondContact OG1-CG 3.3Å; T418-E421 PolarHBondContact OG1-N 2.78Å; T418-E421 VanDerWaalsContact OG1-N 3.14Å; T418-E421 PolarHBondContact OG1-OE2 2.81Å; T418-L422 WeakPolarHBondContact O-CG 3.4Å; T418-L422 PolarHBondContact O-N 2.9Å
419	L	96.2	Very high	95.5	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-39.5	176.2	-57.4	179.2	0	0	0	111.1	F362 A366 L368 V371 L422 G423 L424 L445 F447	F362-L419 HydrophobicContact CB-CD1 3.67Å; F362-L419 HydrophobicContact CG-CD1 4.31Å; A366-L419 HydrophobicContact CB-CD1 4.36Å; A366-L419 WeakPolarHBondContact O-CG 3.36Å; A366-L419 PolarHBondContact O-N 3.19Å; L368-L419 HydrophobicContact CD1-CD2 4.43Å; V371-L419 HydrophobicContact CG2-CD1 4.18Å; V371-L419 HydrophobicContact CG2-CD2 3.84Å; L419-L422 PolarHBondContact O-N 3.05Å; L419-G423 PolarHBondContact O-N 3.06Å; L419-L424 HydrophobicContact CB-CB 4.44Å; L419-L424 HydrophobicContact CB-CD1 4.12Å; L419-L424 HydrophobicContact CD2-CD1 3.67Å; L419-L424 HydrophobicContact CG-CD1 4.44Å; L419-L424 WeakPolarHBondContact O-CB 3.48Å; L419-L424 PolarHBondContact O-N 3.2Å; L419-L445 HydrophobicContact CD1-CD1 4.02Å; L419-L445 HydrophobicContact CD1-CD2 4.26Å; L419-F447 HydrophobicContact CB-CE1 3.77Å; L419-F447 HydrophobicContact CB-CZ 3.94Å; L419-F447 HydrophobicContact CD1-CE1 3.8Å; L419-F447 HydrophobicContact CG-CE1 4.43Å
420	K	94.4	Very high	95.5	Very high	157 Å²	157	63.4 Å²	63.4	68%	0.683	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-42.1	174	-172.7	174.3	-178.1	175.9	0	113.3	P364 T418 L422 G423	P364-K420 HydrophobicContact CB-CB 4.33Å; P364-K420 WeakPolarHBondContact O-CB 3.45Å; P364-K420 PolarHBondContact O-N 3.49Å; P364-K420 VanDerWaalsContact O-N 3.09Å; T418-K420 PolarHBondContact O-N 2.8Å; K420-L422 VanDerWaalsContact C-N 3.27Å; K420-L422 PolarHBondContact O-N 3.03Å; K420-G423 PolarHBondContact O-N 3.47Å; K420-G423 VanDerWaalsContact O-N 3.08Å
421	E	95.8	Very high	95.5	Very high	133 Å²	133	54.8 Å²	54.8	62%	0.621	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-27.4	177.4	-76.3	168.1	144.8	0	0	113.2	K417 T418 G423	K417-E421 WeakPolarHBondContact CA-OE2 3.43Å; K417-E421 HydrophobicContact CB-CB 4.23Å; T418-E421 WeakPolarHBondContact CG2-OE2 3.35Å; T418-E421 PolarHBondContact N-OE2 3.02Å; T418-E421 PolarHBondContact O-N 3Å; T418-E421 VanDerWaalsContact O-N 3.11Å; T418-E421 WeakPolarHBondContact OG1-CB 3.35Å; T418-E421 VanDerWaalsContact OG1-CD 3.31Å; T418-E421 WeakPolarHBondContact OG1-CG 3.3Å; T418-E421 PolarHBondContact OG1-N 2.78Å; T418-E421 VanDerWaalsContact OG1-N 3.14Å; T418-E421 PolarHBondContact OG1-OE2 2.81Å; E421-G423 PolarHBondContact O-N 3.12Å
422	L	95.6	Very high	95.4	Very high	19 Å²	19	54.3 Å²	54.3	10%	0.099	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-6	173	-68.7	172	0	0	0	113.1	L368 L392 N414 K417 T418 L419 K420 L424	L368-L422 HydrophobicContact CB-CD1 3.78Å; L368-L422 HydrophobicContact CD1-CD1 4.32Å; L368-L422 HydrophobicContact CD2-CD1 3.86Å; L368-L422 HydrophobicContact CG-CD1 4.2Å; L392-L422 VanDerWaalsContact CD1-O 3.3Å; L392-L422 WeakPolarHBondContact CD1-O 3.3Å; N414-L422 HydrophobicContact CB-CD2 3.85Å; K417-L422 HydrophobicContact CB-CD1 4.49Å; K417-L422 HydrophobicContact CB-CD2 3.98Å; K417-L422 HydrophobicContact CB-CG 3.93Å; K417-L422 HydrophobicContact CD-CD2 3.74Å; K417-L422 HydrophobicContact CG-CD2 4.5Å; T418-L422 WeakPolarHBondContact O-CG 3.4Å; T418-L422 PolarHBondContact O-N 2.9Å; L419-L422 PolarHBondContact O-N 3.05Å; K420-L422 VanDerWaalsContact C-N 3.27Å; K420-L422 PolarHBondContact O-N 3.03Å; L422-L424 HydrophobicContact CB-CG 4.28Å
423	G	94.6	Very high	95.3	Very high	42 Å²	42	50.2 Å²	50.2	43%	0.433	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.8	18.4	-177.9	0	0	0	0	0	113.6	L392 L419 K420 E421	L392-G423 VanDerWaalsContact CD2-O 3.26Å; L392-G423 WeakPolarHBondContact CD2-O 3.18Å; L419-G423 PolarHBondContact O-N 3.06Å; K420-G423 PolarHBondContact O-N 3.47Å; K420-G423 VanDerWaalsContact O-N 3.08Å; E421-G423 PolarHBondContact O-N 3.12Å
424	L	95.1	Very high	95.1	Very high	6 Å²	6	47.4 Å²	47.4	3%	0.031	27%	0.269	C	S	.	.			trans	-73.9	141.3	175.5	-60.9	172.2	0	0	0	110.4	A390 L392 L399 L419 L422 Q428 L430 L445 F447	A390-L424 HydrophobicContact CB-CD2 3.81Å; L392-L424 HydrophobicContact CD2-CD2 4.1Å; L399-L424 HydrophobicContact CD1-CD1 4.13Å; L399-L424 HydrophobicContact CD1-CD2 4.12Å; L419-L424 HydrophobicContact CB-CB 4.44Å; L419-L424 HydrophobicContact CB-CD1 4.12Å; L419-L424 HydrophobicContact CD2-CD1 3.67Å; L419-L424 HydrophobicContact CG-CD1 4.44Å; L419-L424 WeakPolarHBondContact O-CB 3.48Å; L419-L424 PolarHBondContact O-N 3.2Å; L422-L424 HydrophobicContact CB-CG 4.28Å; L424-Q428 VanDerWaalsContact CA-OE1 3.27Å; L424-L430 HydrophobicContact CD1-CD2 4.36Å; L424-L430 HydrophobicContact CD2-CD2 3.91Å; L424-L445 HydrophobicContact CB-CD2 4.06Å; L424-L445 HydrophobicContact CD1-CD2 4.23Å; L424-F447 HydrophobicContact CB-CZ 4.31Å; L424-F447 WeakPolarHBondContact O-CE2 3.25Å
425	V	93.4	Very high	94.8	Very high	89 Å²	89	50.3 Å²	50.3	54%	0.539	29%	0.288	S	S	.	.			trans	-116	158	-179.7	-61.3	0	0	0	0	111.4	Q428	V425-Q428 HydrophobicContact CG2-CB 3.96Å; V425-Q428 WeakPolarHBondContact O-CB 3.3Å; V425-Q428 PolarHBondContact O-N 2.81Å
426	D	94.2	Very high	94.4	Very high	98 Å²	98	49.6 Å²	49.6	52%	0.524	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	139.6	175.2	-171.9	42.9	0	0	0	111.3	Q428 H446 F447	D426-Q428 PolarHBondContact O-N 2.87Å; D426-H446 VanDerWaalsContact OD1-CA 3.25Å; D426-H446 WeakPolarHBondContact OD1-CA 3.49Å; D426-F447 HydrophobicContact CB-CB 4.3Å; D426-F447 HydrophobicContact CB-CD2 3.87Å; D426-F447 HydrophobicContact CB-CG 4.37Å; D426-F447 PolarHBondContact OD1-N 3.15Å
427	G	90.9	Very high	94	Very high	27 Å²	27	46.6 Å²	46.6	28%	0.278	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.5	0.9	-176.2	0	0	0	0	0	115.4	K444 L445	G427-K444 WeakPolarHBondContact O-CE 3.42Å; G427-L445 VanDerWaalsContact CA-O 3.25Å; G427-L445 WeakPolarHBondContact CA-O 3.49Å; G427-L445 PolarHBondContact N-O 3.34Å
428	Q	92.2	Very high	93.5	Very high	24 Å²	24	45.2 Å²	45.2	11%	0.112	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-71	141.7	180	-173.3	171.7	6	0	0	112.1	T391 L424 V425 D426 L445	T391-Q428 PolarHBondContact O-NE2 3.07Å; L424-Q428 VanDerWaalsContact CA-OE1 3.27Å; V425-Q428 HydrophobicContact CG2-CB 3.96Å; V425-Q428 WeakPolarHBondContact O-CB 3.3Å; V425-Q428 PolarHBondContact O-N 2.81Å; D426-Q428 PolarHBondContact O-N 2.87Å; Q428-L445 WeakPolarHBondContact O-CB 3.29Å; Q428-L445 PolarHBondContact O-N 3.16Å
429	E	93.8	Very high	93.1	Very high	92 Å²	92	45.4 Å²	45.4	43%	0.43	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	131.3	174.3	-67	-180	-173.2	0	0	111.6	F443	E429-F443 CarbonylContact C-O 3.49Å; E429-F443 VanDerWaalsContact CA-O 3.31Å; E429-F443 WeakPolarHBondContact CA-O 3.41Å
430	L	95.4	Very high	92.9	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.005	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	125.9	170.8	-52.8	-178.2	0	0	0	108.3	I360 I388 A390 L399 L424 F443	I360-L430 HydrophobicContact CD1-CD1 3.98Å; I388-L430 HydrophobicContact CG2-CB 4.36Å; I388-L430 HydrophobicContact CG2-CD1 4.39Å; A390-L430 HydrophobicContact CB-CD2 3.74Å; L399-L430 HydrophobicContact CD1-CD2 4.4Å; L424-L430 HydrophobicContact CD1-CD2 4.36Å; L424-L430 HydrophobicContact CD2-CD2 3.91Å; L430-F443 HydrophobicContact CB-CB 4.4Å; L430-F443 PolarHBondContact N-O 2.7Å; L430-F443 PolarHBondContact O-N 3.4Å
431	A	95.9	Very high	92.8	Very high	23 Å²	23	42.1 Å²	42.1	19%	0.19	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	115.2	174.3	0	0	0	0	0	109.2	T389 T440 L442	T389-A431 PolarHBondContact N-O 3.34Å; T389-A431 PolarHBondContact O-N 2.94Å; T389-A431 VanDerWaalsContact OG1-CB 3.28Å; T389-A431 WeakPolarHBondContact OG1-CB 3.4Å; T389-A431 PolarHBondContact OG1-O 3.2Å; T389-A431 VanDerWaalsContact OG1-O 3.05Å; A431-T440 HydrophobicContact CB-CG2 3.63Å; A431-L442 HydrophobicContact CB-CD2 4.05Å
432	V	95.8	Very high	92.7	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.012	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	121.8	-177	-178.1	0	0	0	0	110.6	L375 M383 P386 A387 I388 V441 F443	L375-V432 HydrophobicContact CD1-CG1 3.99Å; L375-V432 HydrophobicContact CD1-CG2 3.95Å; M383-V432 HydrophobicContact CE-CG1 3.98Å; M383-V432 HydrophobicContact SD-CG1 3.6Å; P386-V432 HydrophobicContact CB-CG1 3.94Å; A387-V432 VanDerWaalsContact O-CA 3.22Å; A387-V432 WeakPolarHBondContact O-CA 3.34Å; I388-V432 HydrophobicContact CG1-CG2 4.46Å; V432-V441 PolarHBondContact N-O 2.91Å; V432-V441 PolarHBondContact O-N 3.42Å; V432-F443 HydrophobicContact CB-CD2 3.99Å; V432-F443 HydrophobicContact CB-CE2 3.86Å; V432-F443 HydrophobicContact CG1-CE2 4.4Å; V432-F443 HydrophobicContact CG2-CD2 3.52Å; V432-F443 HydrophobicContact CG2-CE2 3.81Å
433	A	94.6	Very high	92.6	Very high	42 Å²	42	38.5 Å²	38.5	35%	0.347	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	145.1	172.1	0	0	0	0	0	110	P386 A387	P386-A433 WeakPolarHBondContact CA-O 3.33Å; A387-A433 HydrophobicContact CB-CB 4.47Å; A387-A433 PolarHBondContact N-O 3.46Å; A387-A433 PolarHBondContact O-N 3.36Å
434	D	93.4	Very high	92.6	Very high	13 Å²	13	40.1 Å²	40.1	7%	0.07	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	153.5	179.4	-173.9	52.8	0	0	0	111.1	M383 K384 S385 T436 T437	M383-D434 WeakPolarHBondContact CA-OD2 3.39Å; M383-D434 HydrophobicContact CB-CB 4.27Å; M383-D434 HydrophobicContact CG-CB 4.22Å; M383-D434 HydrophobicContact SD-CB 4.28Å; K384-D434 PolarHBondContact N-OD1 2.87Å; K384-D434 PolarHBondContact N-OD2 2.68Å; S385-D434 WeakPolarHBondContact CA-OD1 3.45Å; S385-D434 PolarHBondContact N-OD1 2.76Å; D434-T436 PolarHBondContact O-N 3.07Å; D434-T436 VanDerWaalsContact O-N 3.07Å; D434-T436 WeakPolarHBondContact OD2-CB 3.44Å; D434-T436 WeakPolarHBondContact OD2-CG2 3.26Å; D434-T436 PolarHBondContact OD2-N 3.15Å; D434-T436 PolarHBondContact OD2-OG1 3.08Å; D434-T437 PolarHBondContact O-N 3.48Å
435	V	91.3	Very high	92.5	Very high	89 Å²	89	39.8 Å²	39.8	54%	0.539	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-15.3	178.1	-63.7	0	0	0	0	113.7	K384 T437	K384-V435 HydrophobicContact CB-CG2 3.59Å; K384-V435 HydrophobicContact CG-CG2 4.33Å; V435-T437 VanDerWaalsContact C-N 3.3Å
436	T	88.2	Confident	92.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-18.1	177.6	56.9	0	0	0	0	113.6	R159 W160 K384 D434	R159-T436 CarbonylContact C-O 3.43Å; R159-T436 VanDerWaalsContact CB-O 3.26Å; R159-T436 WeakPolarHBondContact CB-O 3.29Å; R159-T436 VanDerWaalsContact NH1-CG2 3.32Å; W160-T436 VanDerWaalsContact CA-O 3.29Å; W160-T436 WeakPolarHBondContact CA-O 3.44Å; W160-T436 PolarHBondContact N-O 2.92Å; K384-T436 HydrophobicContact CB-CG2 4.23Å; K384-T436 HydrophobicContact CG-CG2 3.75Å; D434-T436 PolarHBondContact O-N 3.07Å; D434-T436 VanDerWaalsContact O-N 3.07Å; D434-T436 WeakPolarHBondContact OD2-CB 3.44Å; D434-T436 WeakPolarHBondContact OD2-CG2 3.26Å; D434-T436 PolarHBondContact OD2-N 3.15Å; D434-T436 PolarHBondContact OD2-OG1 3.08Å
437	T	89.2	Confident	92.6	Very high	14 Å²	14	35.9 Å²	35.9	9%	0.086	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	138.9	-176.1	-172.3	0	0	0	0	111.9	G163 D434 V435 Q439 V441	G163-T437 WeakPolarHBondContact CA-OG1 3.38Å; D434-T437 PolarHBondContact O-N 3.48Å; V435-T437 VanDerWaalsContact C-N 3.3Å; T437-Q439 HydrophobicContact CG2-CG 4.23Å; T437-Q439 WeakPolarHBondContact CG2-O 3.35Å; T437-Q439 PolarHBondContact O-N 2.87Å; T437-Q439 WeakPolarHBondContact OG1-CG 3.21Å; T437-V441 HydrophobicContact CG2-CG2 4.33Å
438	P	86.6	Confident	92.5	Very high	52 Å²	52	37.3 Å²	37.3	34%	0.338	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	-18.2	177.6	29	-33.8	0	0	0	113	W160 M164	W160-P438 HydrophobicContact CD2-CG 4.28Å; W160-P438 HydrophobicContact CZ2-CB 3.96Å; W160-P438 HydrophobicContact CZ2-CG 4.2Å; W160-P438 WeakPolarHBondContact O-CD 3.38Å; M164-P438 HydrophobicContact CB-CG 3.85Å; M164-P438 HydrophobicContact CE-CB 4.25Å; M164-P438 HydrophobicContact CE-CG 4.19Å; M164-P438 VanDerWaalsContact N-CG 3.3Å
439	Q	89.2	Confident	91.5	Very high	30 Å²	30	44.8 Å²	44.8	14%	0.14	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	146.3	-179.7	76.9	-166.6	-15.2	0	0	111.7	A352 T437 V441	A352-Q439 VanDerWaalsContact CB-NE2 3.26Å; A352-Q439 PolarHBondContact O-NE2 3.3Å; T437-Q439 HydrophobicContact CG2-CG 4.23Å; T437-Q439 WeakPolarHBondContact CG2-O 3.35Å; T437-Q439 PolarHBondContact O-N 2.87Å; T437-Q439 WeakPolarHBondContact OG1-CG 3.21Å; Q439-V441 HydrophobicContact CG-CG2 4.43Å
440	T	91.4	Very high	91.4	Very high	80 Å²	80	42.5 Å²	42.5	49%	0.491	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	124.2	167.4	-61.2	0	0	0	0	108.9	A431 L442	A431-T440 HydrophobicContact CB-CG2 3.63Å; T440-L442 HydrophobicContact CG2-CD2 4.48Å
441	V	92.4	Very high	91.2	Very high	9 Å²	9	44.6 Å²	44.6	6%	0.055	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	131.2	175.8	-178.4	0	0	0	0	109.1	P351 M383 V432 T437 Q439 F443	P351-V441 HydrophobicContact CB-CG1 4.06Å; P351-V441 VanDerWaalsContact O-CG1 3.26Å; P351-V441 WeakPolarHBondContact O-CG1 3.46Å; M383-V441 HydrophobicContact CE-CB 4.34Å; M383-V441 HydrophobicContact CE-CG2 4.26Å; V432-V441 PolarHBondContact N-O 2.91Å; V432-V441 PolarHBondContact O-N 3.42Å; T437-V441 HydrophobicContact CG2-CG2 4.33Å; Q439-V441 HydrophobicContact CG-CG2 4.43Å; V441-F443 HydrophobicContact CB-CE2 3.91Å; V441-F443 HydrophobicContact CG1-CD2 4.06Å; V441-F443 HydrophobicContact CG1-CE2 3.42Å; V441-F443 VanDerWaalsContact CG1-CE2 3.42Å; V441-F443 HydrophobicContact CG1-CZ 3.77Å
442	L	93.3	Very high	91	Very high	74 Å²	74	45.8 Å²	45.8	39%	0.387	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	132.3	178.7	-59.5	178.3	0	0	0	110.7	P357 Q358 A431 T440	P357-L442 CarbonylContact C-O 3.57Å; P357-L442 VanDerWaalsContact CA-O 3.31Å; P357-L442 WeakPolarHBondContact CA-O 3.21Å; P357-L442 HydrophobicContact CB-CB 3.97Å; P357-L442 HydrophobicContact CG-CB 4.15Å; Q358-L442 PolarHBondContact N-O 3.16Å; A431-L442 HydrophobicContact CB-CD2 4.05Å; T440-L442 HydrophobicContact CG2-CD2 4.48Å
443	F	93.8	Very high	90.7	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.009	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	127	175.1	-68.6	-92.7	0	0	0	110.2	Q358 I360 L375 L381 M383 E429 L430 V432 V441	Q358-F443 HydrophobicContact CB-CD1 3.41Å; Q358-F443 VanDerWaalsContact CB-CD1 3.41Å; Q358-F443 HydrophobicContact CB-CE1 3.61Å; Q358-F443 HydrophobicContact CB-CG 4.22Å; Q358-F443 HydrophobicContact CG-CD1 4.38Å; Q358-F443 HydrophobicContact CG-CE1 4.15Å; Q358-F443 CarbonylContact O-C 3.55Å; Q358-F443 WeakPolarHBondContact O-CA 3.21Å; I360-F443 HydrophobicContact CD1-CB 4.01Å; I360-F443 HydrophobicContact CG1-CB 4.32Å; I360-F443 HydrophobicContact CG2-CD1 3.58Å; I360-F443 HydrophobicContact CG2-CE1 4.25Å; I360-F443 HydrophobicContact CG2-CG 4.46Å; L375-F443 HydrophobicContact CD2-CD1 4.43Å; L375-F443 HydrophobicContact CD2-CD2 4.34Å; L375-F443 HydrophobicContact CD2-CE1 3.88Å; L375-F443 HydrophobicContact CD2-CE2 3.76Å; L375-F443 HydrophobicContact CD2-CZ 3.51Å; L381-F443 HydrophobicContact CD1-CE1 3.98Å; L381-F443 HydrophobicContact CD1-CZ 3.99Å; L381-F443 HydrophobicContact CD2-CE1 4.44Å; L381-F443 HydrophobicContact CD2-CZ 4.28Å; M383-F443 HydrophobicContact CE-CE2 4.06Å; M383-F443 HydrophobicContact CE-CZ 4.09Å; E429-F443 CarbonylContact C-O 3.49Å; E429-F443 VanDerWaalsContact CA-O 3.31Å; E429-F443 WeakPolarHBondContact CA-O 3.41Å; L430-F443 HydrophobicContact CB-CB 4.4Å; L430-F443 PolarHBondContact N-O 2.7Å; L430-F443 PolarHBondContact O-N 3.4Å; V432-F443 HydrophobicContact CB-CD2 3.99Å; V432-F443 HydrophobicContact CB-CE2 3.86Å; V432-F443 HydrophobicContact CG1-CE2 4.4Å; V432-F443 HydrophobicContact CG2-CD2 3.52Å; V432-F443 HydrophobicContact CG2-CE2 3.81Å; V441-F443 HydrophobicContact CB-CE2 3.91Å; V441-F443 HydrophobicContact CG1-CD2 4.06Å; V441-F443 HydrophobicContact CG1-CE2 3.42Å; V441-F443 VanDerWaalsContact CG1-CE2 3.42Å; V441-F443 HydrophobicContact CG1-CZ 3.77Å
444	K	93.8	Very high	90.4	Very high	75 Å²	75	48.8 Å²	48.8	33%	0.326	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	114.7	174	-169.7	168.8	-173.3	167.9	0	109.9	P357 Q358 N359 I360 G427 H446	P357-K444 HydrophobicContact CB-CB 4.14Å; Q358-K444 PolarHBondContact O-N 3.43Å; N359-K444 WeakPolarHBondContact CA-O 3.16Å; I360-K444 PolarHBondContact N-O 2.94Å; G427-K444 WeakPolarHBondContact O-CE 3.42Å; K444-H446 PolarHBondContact O-CD2 3.46Å
445	L	94.4	Very high	90.2	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	124.3	-179.2	-179.2	62.4	0	0	0	110.5	I360 F362 L419 L424 G427 Q428 F447	I360-L445 HydrophobicContact CD1-CD1 4.13Å; I360-L445 HydrophobicContact CG1-CD1 4.09Å; F362-L445 HydrophobicContact CB-CD1 4.26Å; F362-L445 HydrophobicContact CD2-CD1 4.21Å; L419-L445 HydrophobicContact CD1-CD1 4.02Å; L419-L445 HydrophobicContact CD1-CD2 4.26Å; L424-L445 HydrophobicContact CB-CD2 4.06Å; L424-L445 HydrophobicContact CD1-CD2 4.23Å; G427-L445 VanDerWaalsContact CA-O 3.25Å; G427-L445 WeakPolarHBondContact CA-O 3.49Å; G427-L445 PolarHBondContact N-O 3.34Å; Q428-L445 WeakPolarHBondContact O-CB 3.29Å; Q428-L445 PolarHBondContact O-N 3.16Å; L445-F447 HydrophobicContact CD1-CD1 4.46Å; L445-F447 HydrophobicContact CD1-CE1 4.26Å; L445-F447 HydrophobicContact CD2-CD1 4.36Å; L445-F447 HydrophobicContact CD2-CE1 3.57Å; L445-F447 HydrophobicContact CD2-CZ 3.86Å; L445-F447 HydrophobicContact CG-CD1 4.23Å; L445-F447 HydrophobicContact CG-CE1 3.92Å
446	H	94.5	Very high	90.2	Very high	56 Å²	56	48.5 Å²	48.5	26%	0.259	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	122.9	171.9	-67.8	-81	0	0	0	110	N359 I360 Q361 F362 D426 K444 T448	N359-H446 PolarHBondContact OD1-CD2 2.95Å; N359-H446 PolarHBondContact OD1-NE2 3.26Å; I360-H446 PolarHBondContact O-N 3.18Å; Q361-H446 WeakPolarHBondContact CA-O 3.31Å; Q361-H446 HydrophobicContact CG-CB 4.35Å; F362-H446 PolarHBondContact N-O 3.16Å; F362-H446 VanDerWaalsContact N-O 3.11Å; D426-H446 VanDerWaalsContact OD1-CA 3.25Å; D426-H446 WeakPolarHBondContact OD1-CA 3.49Å; K444-H446 PolarHBondContact O-CD2 3.46Å; H446-T448 PolarHBondContact O-N 2.9Å
447	F	94.3	Very high	90.3	Very high	49 Å²	49	52.2 Å²	52.2	22%	0.215	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	116.4	176.6	-74	-28.4	0	0	0	111.4	F362 P364 L419 L424 D426 L445	F362-F447 CarbonylContact O-C 3.53Å; F362-F447 VanDerWaalsContact O-CA 3.28Å; F362-F447 WeakPolarHBondContact O-CA 3.46Å; P364-F447 HydrophobicContact CB-CD1 4.15Å; P364-F447 HydrophobicContact CB-CD2 4.07Å; P364-F447 HydrophobicContact CB-CE1 4.24Å; P364-F447 HydrophobicContact CB-CE2 4.17Å; P364-F447 HydrophobicContact CB-CG 4.09Å; P364-F447 HydrophobicContact CB-CZ 4.26Å; L419-F447 HydrophobicContact CB-CE1 3.77Å; L419-F447 HydrophobicContact CB-CZ 3.94Å; L419-F447 HydrophobicContact CD1-CE1 3.8Å; L419-F447 HydrophobicContact CG-CE1 4.43Å; L424-F447 HydrophobicContact CB-CZ 4.31Å; L424-F447 WeakPolarHBondContact O-CE2 3.25Å; D426-F447 HydrophobicContact CB-CB 4.3Å; D426-F447 HydrophobicContact CB-CD2 3.87Å; D426-F447 HydrophobicContact CB-CG 4.37Å; D426-F447 PolarHBondContact OD1-N 3.15Å; L445-F447 HydrophobicContact CD1-CD1 4.46Å; L445-F447 HydrophobicContact CD1-CE1 4.26Å; L445-F447 HydrophobicContact CD2-CD1 4.36Å; L445-F447 HydrophobicContact CD2-CE1 3.57Å; L445-F447 HydrophobicContact CD2-CZ 3.86Å; L445-F447 HydrophobicContact CG-CD1 4.23Å; L445-F447 HydrophobicContact CG-CE1 3.92Å
448	T	89.3	Confident	90.4	Very high	57 Å²	57	55.4 Å²	55.4	35%	0.35	32%	0.32	S	S	.	.			trans	-80.7	140.6	168.6	53.3	0	0	0	0	109.5	Q361 F362 S363 P364 H446	Q361-T448 HydrophobicContact CB-CG2 3.85Å; Q361-T448 HydrophobicContact CG-CG2 4.31Å; F362-T448 VanDerWaalsContact C-OG1 3.3Å; F362-T448 PolarHBondContact O-N 3.36Å; F362-T448 PolarHBondContact O-OG1 3.02Å; S363-T448 PolarHBondContact N-OG1 3.08Å; P364-T448 VanDerWaalsContact CD-O 3.28Å; P364-T448 WeakPolarHBondContact CD-O 3.28Å; H446-T448 PolarHBondContact O-N 2.9Å
449	S	72	Confident	90.8	Very high	181 Å²	181	55.7 Å²	55.7	100%	1.266	32%	0.318	S	S	*	.			trans	-60.7	0	-172.9	-55.9	0	0	0	0	114

Retrieved 449 of 449 residues in 381.6 ms (Link to these results)

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