A0A060X1D8_ONCMY Loading...

NEDD8-activating enzyme E1 regulatory subunit

Regulatory 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.

AlphaFold DB , UniProt , Accession A0A060X1D8, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110526285, Length 533 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	50.6	Low	69.3	Low	205 Å²	205	104 Å²	104	100%	1.01	57%	0.573	S	S	*	*				0	-61.7	0	-79.1	178.5	174.2	0	0	111.8	T4 K5	M1-T4 WeakPolarHBondContact CA-OG1 3.5Å; M1-T4 PolarHBondContact N-OG1 2.99Å; M1-T4 PolarHBondContact O-N 3.14Å; M1-T4 PolarHBondContact O-OG1 3.4Å; M1-K5 WeakPolarHBondContact O-CB 3.23Å; M1-K5 PolarHBondContact O-N 3.14Å
2	A	43.3	Very low	71.6	Confident	84 Å²	84	95.8 Å²	95.8	69%	0.694	53%	0.527	S	S	*	.	H	α-helix	trans	-65.3	-40.5	179.9	0	0	0	0	0	114.6	K5 A6	A2-K5 PolarHBondContact O-N 3.2Å; A2-A6 WeakPolarHBondContact O-CB 3.42Å; A2-A6 PolarHBondContact O-N 3.38Å
3	V	47.2	Very low	73.4	Confident	127 Å²	127	93.3 Å²	93.3	77%	0.77	51%	0.513	S	S	*	.	H	α-helix	trans	-69.3	-38.3	178.1	-179.2	0	0	0	0	111.9	S7	V3-S7 PolarHBondContact O-N 3.23Å; V3-S7 VanDerWaalsContact O-N 3.17Å
4	T	62.2	Low	75	Confident	95 Å²	95	102.4 Å²	102.4	58%	0.583	54%	0.536	S	S	*	.	H	α-helix	trans	-68.3	-38.4	174.9	20.9	0	0	0	0	112.2	M1 S7 K8	M1-T4 WeakPolarHBondContact CA-OG1 3.5Å; M1-T4 PolarHBondContact N-OG1 2.99Å; M1-T4 PolarHBondContact O-N 3.14Å; M1-T4 PolarHBondContact O-OG1 3.4Å; T4-S7 PolarHBondContact O-N 3.34Å; T4-K8 PolarHBondContact O-N 2.99Å
5	K	62.2	Low	76.3	Confident	139 Å²	139	97.7 Å²	97.7	60%	0.604	51%	0.51	S	S	*	.	H	α-helix	trans	-64.8	-49	174.7	-171.4	172.1	-179.6	173.5	0	112	M1 A2 S7 K8 D9	M1-K5 WeakPolarHBondContact O-CB 3.23Å; M1-K5 PolarHBondContact O-N 3.14Å; A2-K5 PolarHBondContact O-N 3.2Å; K5-S7 PolarHBondContact O-N 3.25Å; K5-K8 PolarHBondContact O-N 3.43Å; K5-D9 VanDerWaalsContact O-CG 3.29Å; K5-D9 PolarHBondContact O-N 2.95Å
6	A	64.5	Low	77.5	Confident	47 Å²	47	93.4 Å²	93.4	39%	0.388	49%	0.487	S	S	.	.	H	α-helix	trans	-59.9	-30.6	177.2	0	0	0	0	0	113.3	A2 Q10	A2-A6 WeakPolarHBondContact O-CB 3.42Å; A2-A6 PolarHBondContact O-N 3.38Å; A6-Q10 VanDerWaalsContact O-CG 3.31Å; A6-Q10 WeakPolarHBondContact O-CG 3.48Å; A6-Q10 PolarHBondContact O-N 3.45Å
7	S	81	Confident	78.5	Confident	74 Å²	74	98.6 Å²	98.6	52%	0.517	50%	0.499	S	S	.	.	H	α-helix	trans	-72.4	-36.2	174.9	-173.1	0	0	0	0	113	V3 T4 K5 K11	V3-S7 PolarHBondContact O-N 3.23Å; V3-S7 VanDerWaalsContact O-N 3.17Å; T4-S7 PolarHBondContact O-N 3.34Å; K5-S7 PolarHBondContact O-N 3.25Å; S7-K11 WeakPolarHBondContact O-CB 3.47Å; S7-K11 PolarHBondContact O-N 2.94Å
8	K	85.1	Confident	79.4	Confident	52 Å²	52	98.9 Å²	98.9	23%	0.226	50%	0.502	C	S	.	.	H	α-helix	trans	-70.5	-44.8	176.1	-79.1	-168.9	166.4	-153.9	0	111.3	T4 K5 Q10 K11 Y12 E28	T4-K8 PolarHBondContact O-N 2.99Å; K5-K8 PolarHBondContact O-N 3.43Å; K8-Q10 PolarHBondContact O-N 3.49Å; K8-K11 WeakPolarHBondContact O-CB 3.34Å; K8-K11 PolarHBondContact O-N 2.78Å; K8-Y12 HydrophobicContact CB-CD2 4.29Å; K8-Y12 HydrophobicContact CB-CE2 4.45Å; K8-Y12 HydrophobicContact CG-CE2 4.4Å; K8-Y12 PolarHBondContact O-N 3.38Å; K8-E28 IonicContact NZ-OE1 2.71Å; K8-E28 PolarHBondContact NZ-OE1 3.25Å; K8-E28 IonicContact NZ-OE2 2.8Å; K8-E28 PolarHBondContact NZ-OE2 3.2Å
9	D	84.6	Confident	80.2	Confident	68 Å²	68	94.5 Å²	94.5	36%	0.364	48%	0.478	S	S	.	.	H	α-helix	trans	-59.9	-37.6	179.6	-59.1	-13.1	0	0	0	111.1	K5 D13	K5-D9 VanDerWaalsContact O-CG 3.29Å; K5-D9 PolarHBondContact O-N 2.95Å; D9-D13 WeakPolarHBondContact O-CA 3.47Å; D9-D13 WeakPolarHBondContact O-CB 3.39Å; D9-D13 PolarHBondContact O-N 2.65Å
10	Q	89.4	Confident	80.9	Confident	158 Å²	158	90.9 Å²	90.9	74%	0.738	47%	0.466	S	S	*	.	H	α-helix	trans	-68.6	-40.6	173.9	-73.6	176.1	9.8	0	0	113.3	A6 K8	A6-Q10 VanDerWaalsContact O-CG 3.31Å; A6-Q10 WeakPolarHBondContact O-CG 3.48Å; A6-Q10 PolarHBondContact O-N 3.45Å; K8-Q10 PolarHBondContact O-N 3.49Å
11	K	92.8	Very high	81.5	Confident	95 Å²	95	92 Å²	92	41%	0.413	47%	0.473	S	S	.	.	H	α-helix	trans	-66.9	-40.3	179.4	177.6	-178.8	171	-177.2	0	111.8	S7 K8 N96 D98	S7-K11 WeakPolarHBondContact O-CB 3.47Å; S7-K11 PolarHBondContact O-N 2.94Å; K8-K11 WeakPolarHBondContact O-CB 3.34Å; K8-K11 PolarHBondContact O-N 2.78Å; K11-N96 VanDerWaalsContact NZ-CG 3.29Å; K11-N96 PolarHBondContact NZ-OD1 2.98Å; K11-D98 IonicContact NZ-OD2 3.82Å; K11-D98 PolarHBondContact NZ-OD2 3.1Å
12	Y	96.1	Very high	83.5	Confident	5 Å²	5	85.9 Å²	85.9	2%	0.02	44%	0.442	C	S	.	.	H	α-helix	trans	-99.5	5.4	-175.9	-59.8	-44.9	0	0	0	114.2	K8 R14 Q15 L16 G52 N96	K8-Y12 HydrophobicContact CB-CD2 4.29Å; K8-Y12 HydrophobicContact CB-CE2 4.45Å; K8-Y12 HydrophobicContact CG-CE2 4.4Å; K8-Y12 PolarHBondContact O-N 3.38Å; Y12-R14 PolarHBondContact O-N 3.46Å; Y12-Q15 HydrophobicContact CD1-CG 4.31Å; Y12-Q15 HydrophobicContact CG-CG 4.44Å; Y12-Q15 WeakPolarHBondContact O-CG 3.31Å; Y12-Q15 PolarHBondContact O-N 3.48Å; Y12-L16 WeakPolarHBondContact O-CG 3.33Å; Y12-L16 PolarHBondContact O-N 2.74Å; Y12-G52 VanDerWaalsContact OH-CA 3.29Å; Y12-G52 WeakPolarHBondContact OH-CA 3.48Å; Y12-N96 PolarHBondContact OH-ND2 3.02Å
13	D	95.7	Very high	86	Confident	64 Å²	64	81.9 Å²	81.9	34%	0.342	41%	0.409	S	S	.	.	H	α-helix	trans	-47	-44	-176.9	175.4	87.3	0	0	0	113.3	D9 Q15 R17	D9-D13 WeakPolarHBondContact O-CA 3.47Å; D9-D13 WeakPolarHBondContact O-CB 3.39Å; D9-D13 PolarHBondContact O-N 2.65Å; D13-Q15 PolarHBondContact O-N 3.33Å; D13-R17 VanDerWaalsContact CG-NH2 3.33Å; D13-R17 WeakPolarHBondContact O-CG 3.17Å; D13-R17 PolarHBondContact O-N 3.29Å; D13-R17 IonicContact OD1-CZ 2.75Å; D13-R17 IonicContact OD1-NE 3.47Å; D13-R17 IonicContact OD1-NH2 2.76Å; D13-R17 PolarHBondContact OD1-NH2 2.79Å; D13-R17 IonicContact OD2-CZ 3.13Å; D13-R17 IonicContact OD2-NE 3.87Å; D13-R17 PolarHBondContact OD2-NE 2.9Å; D13-R17 IonicContact OD2-NH2 2.86Å; D13-R17 PolarHBondContact OD2-NH2 3.36Å
14	R	95.6	Very high	88.3	Confident	221 Å²	221	76.3 Å²	76.3	83%	0.834	37%	0.374	S	S	*	.	H	α-helix	trans	-65.2	-37.6	-177.5	-67.8	-174.3	178.5	-178.2	0.1	113.3	Y12	Y12-R14 PolarHBondContact O-N 3.46Å
15	Q	94.4	Very high	90	Very high	32 Å²	32	77.6 Å²	77.6	15%	0.15	37%	0.373	C	S	.	.	H	α-helix	trans	-87.9	-29.2	-178.1	62.3	-175.4	65.7	0	0	112.1	Y12 D13 R17 L18 W19 P51	Y12-Q15 HydrophobicContact CD1-CG 4.31Å; Y12-Q15 HydrophobicContact CG-CG 4.44Å; Y12-Q15 WeakPolarHBondContact O-CG 3.31Å; Y12-Q15 PolarHBondContact O-N 3.48Å; D13-Q15 PolarHBondContact O-N 3.33Å; Q15-R17 PolarHBondContact O-N 3.24Å; Q15-L18 WeakPolarHBondContact O-CA 3.48Å; Q15-L18 WeakPolarHBondContact O-CB 3.46Å; Q15-L18 PolarHBondContact O-N 3.25Å; Q15-W19 HydrophobicContact CB-CH2 3.99Å; Q15-W19 HydrophobicContact CB-CZ2 3.52Å; Q15-W19 HydrophobicContact CG-CZ2 3.88Å; Q15-W19 PolarHBondContact O-N 3.43Å; Q15-W19 VanDerWaalsContact O-N 3.16Å; Q15-P51 PolarHBondContact NE2-O 2.78Å
16	L	94.7	Very high	91.7	Very high	28 Å²	28	75.4 Å²	75.4	15%	0.147	37%	0.366	C	S	.	.	H	α-helix	trans	-59.1	-30.6	170.1	-70.7	173.6	0	0	0	111.9	Y12 L18 G20 Q24	Y12-L16 WeakPolarHBondContact O-CG 3.33Å; Y12-L16 PolarHBondContact O-N 2.74Å; L16-L18 PolarHBondContact O-N 3.25Å; L16-G20 WeakPolarHBondContact CD2-O 3.29Å; L16-G20 WeakPolarHBondContact O-CA 3.38Å; L16-G20 PolarHBondContact O-N 3.44Å; L16-Q24 HydrophobicContact CD2-CB 3.57Å; L16-Q24 HydrophobicContact CD2-CG 4.01Å
17	R	95.2	Very high	93.3	Very high	182 Å²	182	73.2 Å²	73.2	69%	0.687	35%	0.347	S	S	*	.	H	α-helix	trans	-67.5	-17.4	172.6	-67.5	167.9	-167.2	-76.1	-10.2	114.1	D13 Q15	D13-R17 VanDerWaalsContact CG-NH2 3.33Å; D13-R17 WeakPolarHBondContact O-CG 3.17Å; D13-R17 PolarHBondContact O-N 3.29Å; D13-R17 IonicContact OD1-CZ 2.75Å; D13-R17 IonicContact OD1-NE 3.47Å; D13-R17 IonicContact OD1-NH2 2.76Å; D13-R17 PolarHBondContact OD1-NH2 2.79Å; D13-R17 IonicContact OD2-CZ 3.13Å; D13-R17 IonicContact OD2-NE 3.87Å; D13-R17 PolarHBondContact OD2-NE 2.9Å; D13-R17 IonicContact OD2-NH2 2.86Å; D13-R17 PolarHBondContact OD2-NH2 3.36Å; Q15-R17 PolarHBondContact O-N 3.24Å
18	L	94.6	Very high	94.1	Very high	105 Å²	105	72.5 Å²	72.5	55%	0.55	34%	0.336	S	S	.	.	H	α-helix	trans	-96.1	-49.8	-178.7	-61.1	175.5	0	0	0	111.6	Q15 L16	Q15-L18 WeakPolarHBondContact O-CA 3.48Å; Q15-L18 WeakPolarHBondContact O-CB 3.46Å; Q15-L18 PolarHBondContact O-N 3.25Å; L16-L18 PolarHBondContact O-N 3.25Å
19	W	93.8	Very high	94.7	Very high	14 Å²	14	75.5 Å²	75.5	5%	0.053	35%	0.354	C	S	.	.	H	α-helix	trans	-118.9	5	-174.4	52.5	62	0	0	0	115	Q15 H22 G23 Q24 L27 P51 I505 Q511	Q15-W19 HydrophobicContact CB-CH2 3.99Å; Q15-W19 HydrophobicContact CB-CZ2 3.52Å; Q15-W19 HydrophobicContact CG-CZ2 3.88Å; Q15-W19 PolarHBondContact O-N 3.43Å; Q15-W19 VanDerWaalsContact O-N 3.16Å; W19-H22 PolarHBondContact O-CE1 2.83Å; W19-G23 WeakPolarHBondContact O-CA 3.34Å; W19-G23 PolarHBondContact O-N 3.16Å; W19-Q24 VanDerWaalsContact NE1-OE1 3.12Å; W19-L27 HydrophobicContact CZ2-CD2 4.11Å; W19-P51 HydrophobicContact CH2-CB 4.26Å; W19-P51 HydrophobicContact CZ2-CB 4.13Å; W19-I505 HydrophobicContact CE3-CG2 3.99Å; W19-I505 HydrophobicContact CH2-CD1 4.01Å; W19-I505 HydrophobicContact CH2-CG2 4.12Å; W19-I505 HydrophobicContact CZ3-CD1 4.31Å; W19-I505 HydrophobicContact CZ3-CG2 3.74Å; W19-Q511 VanDerWaalsContact CA-OE1 3.26Å; W19-Q511 PolarHBondContact O-NE2 3.21Å; W19-Q511 PolarHBondContact O-OE1 3.26Å
20	G	94.3	Very high	95.4	Very high	22 Å²	22	72.4 Å²	72.4	23%	0.227	34%	0.338	C	S	.	.	H	α-helix	trans	69.2	178.9	176.6	0	0	0	0	0	114.3	L16 H22 Q24	L16-G20 WeakPolarHBondContact CD2-O 3.29Å; L16-G20 WeakPolarHBondContact O-CA 3.38Å; L16-G20 PolarHBondContact O-N 3.44Å; G20-H22 VanDerWaalsContact C-N 3.34Å; G20-Q24 PolarHBondContact O-N 2.72Å
21	D	93.4	Very high	95.8	Very high	115 Å²	115	67.1 Å²	67.1	62%	0.615	31%	0.313	S	S	*	.	H	α-helix	trans	-65.7	-37.5	178.4	-61.3	-47.7	0	0	0	111.8	Q24 E25	D21-Q24 WeakPolarHBondContact O-CB 3.42Å; D21-Q24 PolarHBondContact O-N 3.24Å; D21-E25 PolarHBondContact O-N 3.44Å
22	H	92.9	Very high	96.1	Very high	76 Å²	76	62.6 Å²	62.6	35%	0.352	29%	0.294	S	S	.	.	H	α-helix	trans	-70.7	-37.4	179.9	65.8	-69.2	0	0	0	112.1	W19 G20 Q24 E25 E26 E172 Q511	W19-H22 PolarHBondContact O-CE1 2.83Å; G20-H22 VanDerWaalsContact C-N 3.34Å; H22-Q24 VanDerWaalsContact C-N 3.28Å; H22-Q24 PolarHBondContact O-N 2.85Å; H22-E25 PolarHBondContact O-N 3.5Å; H22-E26 WeakPolarHBondContact O-CG 3.23Å; H22-E26 PolarHBondContact O-N 3.21Å; H22-E172 IonicContact CD2-OE2 2.87Å; H22-E172 IonicContact CE1-OE1 2.97Å; H22-E172 IonicContact CE1-OE2 2.75Å; H22-E172 IonicContact NE2-OE1 3.37Å; H22-E172 IonicContact NE2-OE2 3.37Å; H22-E172 PolarHBondContact NE2-OE2 3.25Å; H22-Q511 PolarHBondContact CD2-NE2 3.22Å; H22-Q511 PolarHBondContact NE2-NE2 3Å
23	G	95.5	Very high	96.2	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-63.3	-37.2	171.5	0	0	0	0	0	112	W19 L27 T509	W19-G23 WeakPolarHBondContact O-CA 3.34Å; W19-G23 PolarHBondContact O-N 3.16Å; G23-L27 WeakPolarHBondContact O-CB 3.48Å; G23-L27 PolarHBondContact O-N 2.88Å; G23-L27 VanDerWaalsContact O-N 3.11Å; G23-T509 VanDerWaalsContact O-CG2 3.31Å; G23-T509 WeakPolarHBondContact O-CG2 3.45Å
24	Q	97.4	Very high	96.4	Very high	10 Å²	10	59.3 Å²	59.3	5%	0.047	28%	0.276	C	S	.	.	H	α-helix	trans	-67	-39.7	173.9	-171.4	62.7	32.4	0	0	112.1	L16 W19 G20 D21 H22 L27 E28 P51	L16-Q24 HydrophobicContact CD2-CB 3.57Å; L16-Q24 HydrophobicContact CD2-CG 4.01Å; W19-Q24 VanDerWaalsContact NE1-OE1 3.12Å; G20-Q24 PolarHBondContact O-N 2.72Å; D21-Q24 WeakPolarHBondContact O-CB 3.42Å; D21-Q24 PolarHBondContact O-N 3.24Å; H22-Q24 VanDerWaalsContact C-N 3.28Å; H22-Q24 PolarHBondContact O-N 2.85Å; Q24-L27 WeakPolarHBondContact O-CB 3.25Å; Q24-L27 PolarHBondContact O-N 2.9Å; Q24-E28 HydrophobicContact CG-CG 4.35Å; Q24-E28 WeakPolarHBondContact O-CB 3.48Å; Q24-E28 WeakPolarHBondContact O-CG 3.45Å; Q24-E28 PolarHBondContact O-N 3.49Å; Q24-P51 PolarHBondContact NE2-O 3.41Å
25	E	96.6	Very high	96.5	Very high	122 Å²	122	48.8 Å²	48.8	57%	0.57	24%	0.237	S	C	*	.	H	α-helix	trans	-61.6	-45.9	176.3	-178.7	171.4	-167.5	0	0	111.9	D21 H22 L27 E28 N29	D21-E25 PolarHBondContact O-N 3.44Å; H22-E25 PolarHBondContact O-N 3.5Å; E25-L27 VanDerWaalsContact C-N 3.27Å; E25-L27 PolarHBondContact O-N 3.48Å; E25-E28 PolarHBondContact O-N 2.86Å; E25-N29 WeakPolarHBondContact O-CB 3.42Å; E25-N29 VanDerWaalsContact O-CG 3.27Å; E25-N29 PolarHBondContact O-N 3.38Å; E25-N29 PolarHBondContact O-ND2 3.41Å; E25-N29 VanDerWaalsContact O-ND2 3.12Å
26	E	97.3	Very high	96.7	Very high	94 Å²	94	47.7 Å²	47.7	44%	0.439	23%	0.232	S	C	.	.	H	α-helix	trans	-59.2	-39.9	173.8	-69.6	-62.5	144.7	0	0	111.7	H22 N29 A30 I508	H22-E26 WeakPolarHBondContact O-CG 3.23Å; H22-E26 PolarHBondContact O-N 3.21Å; E26-N29 PolarHBondContact O-N 3.15Å; E26-A30 PolarHBondContact O-N 3.2Å; E26-I508 WeakPolarHBondContact O-CG2 3.39Å
27	L	98	Very high	96.9	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-66.5	-45.3	177.4	-171	63.4	0	0	0	112.3	W19 G23 Q24 E25 N29 A30 P51 I53 G54 I505 I508	W19-L27 HydrophobicContact CZ2-CD2 4.11Å; G23-L27 WeakPolarHBondContact O-CB 3.48Å; G23-L27 PolarHBondContact O-N 2.88Å; G23-L27 VanDerWaalsContact O-N 3.11Å; Q24-L27 WeakPolarHBondContact O-CB 3.25Å; Q24-L27 PolarHBondContact O-N 2.9Å; E25-L27 VanDerWaalsContact C-N 3.27Å; E25-L27 PolarHBondContact O-N 3.48Å; L27-N29 PolarHBondContact O-N 3.23Å; L27-A30 PolarHBondContact O-N 3.23Å; L27-P51 HydrophobicContact CD2-CB 3.88Å; L27-P51 HydrophobicContact CD2-CG 4.23Å; L27-I53 HydrophobicContact CD1-CB 4.27Å; L27-I53 HydrophobicContact CD1-CG1 4.33Å; L27-I53 CarbonylContact O-C 3.58Å; L27-I53 WeakPolarHBondContact O-CA 3.46Å; L27-G54 PolarHBondContact O-N 3.09Å; L27-I505 HydrophobicContact CD1-CG1 4.24Å; L27-I508 HydrophobicContact CD1-CD1 4.13Å; L27-I508 HydrophobicContact CD1-CG2 4.17Å
28	E	98.1	Very high	97	Very high	59 Å²	59	38.1 Å²	38.1	28%	0.276	20%	0.195	S	C	.	.	H	α-helix	trans	-68.3	-21.5	177.8	-72	-166.5	173.1	0	0	113.1	K8 Q24 E25 G52 G54	K8-E28 IonicContact NZ-OE1 2.71Å; K8-E28 PolarHBondContact NZ-OE1 3.25Å; K8-E28 IonicContact NZ-OE2 2.8Å; K8-E28 PolarHBondContact NZ-OE2 3.2Å; Q24-E28 HydrophobicContact CG-CG 4.35Å; Q24-E28 WeakPolarHBondContact O-CB 3.48Å; Q24-E28 WeakPolarHBondContact O-CG 3.45Å; Q24-E28 PolarHBondContact O-N 3.49Å; E25-E28 PolarHBondContact O-N 2.86Å; E28-G52 WeakPolarHBondContact CG-O 3.49Å; E28-G54 WeakPolarHBondContact O-CA 3.48Å
29	N	98.4	Very high	97.2	Very high	116 Å²	116	33.1 Å²	33.1	62%	0.62	17%	0.169	S	C	*	.	H	α-helix	trans	-91.1	-10.8	176	-72	-33.2	0	0	0	113.4	E25 E26 L27	E25-N29 WeakPolarHBondContact O-CB 3.42Å; E25-N29 VanDerWaalsContact O-CG 3.27Å; E25-N29 PolarHBondContact O-N 3.38Å; E25-N29 PolarHBondContact O-ND2 3.41Å; E25-N29 VanDerWaalsContact O-ND2 3.12Å; E26-N29 PolarHBondContact O-N 3.15Å; L27-N29 PolarHBondContact O-N 3.23Å
30	A	98.6	Very high	97.4	Very high	3 Å²	3	32.5 Å²	32.5	3%	0.025	17%	0.166	C	C	.	.			trans	-79.5	148.9	-176.6	0	0	0	0	0	113.5	E26 L27 I53 G54 A55 T123 I508	E26-A30 PolarHBondContact O-N 3.2Å; L27-A30 PolarHBondContact O-N 3.23Å; A30-I53 HydrophobicContact CB-CD1 4.49Å; A30-I53 HydrophobicContact CB-CG1 4.22Å; A30-G54 WeakPolarHBondContact O-CA 3.5Å; A30-G54 PolarHBondContact O-N 3.36Å; A30-A55 PolarHBondContact O-N 3.33Å; A30-T123 WeakPolarHBondContact CA-OG1 3.36Å; A30-T123 HydrophobicContact CB-CG2 4.14Å; A30-I508 HydrophobicContact CB-CB 4.45Å; A30-I508 HydrophobicContact CB-CD1 4.06Å; A30-I508 HydrophobicContact CB-CG1 4.08Å; A30-I508 HydrophobicContact CB-CG2 3.52Å
31	H	98.8	Very high	97.6	Very high	46 Å²	46	31.4 Å²	31.4	21%	0.213	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	111	172.7	-168.7	176.2	0	0	0	110.3	A55 T57 F122 T123	H31-A55 WeakPolarHBondContact CA-O 3.32Å; H31-A55 HydrophobicContact CB-CB 4.31Å; H31-A55 PolarHBondContact CD2-O 3.16Å; H31-T57 PolarHBondContact NE2-OG1 3.35Å; H31-F122 AromaticContact CD2-CD1 3.77Å; H31-F122 AromaticContact CD2-CE1 3.89Å; H31-F122 AromaticContact CE1-CE1 3.77Å; H31-F122 AromaticContact CG-CD1 3.92Å; H31-F122 AromaticContact NE2-CD1 3.93Å; H31-F122 AromaticContact NE2-CE1 3.55Å; H31-F122 CarbonylContact O-C 3.51Å; H31-F122 VanDerWaalsContact O-CA 3.32Å; H31-F122 WeakPolarHBondContact O-CA 3.41Å; H31-F122 WeakPolarHBondContact O-CB 3.35Å; H31-T123 PolarHBondContact N-OG1 3.28Å; H31-T123 PolarHBondContact O-N 2.94Å
32	V	98.8	Very high	97.9	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	138.4	-179.1	163.6	0	0	0	0	112.2	L48 I53 A55 F56 T57 L124 I126 I508	V32-L48 HydrophobicContact CG1-CD1 4.2Å; V32-I53 HydrophobicContact CB-CD1 3.65Å; V32-I53 HydrophobicContact CG2-CD1 3.32Å; V32-A55 PolarHBondContact N-O 3.4Å; V32-F56 CarbonylContact O-C 3.53Å; V32-F56 WeakPolarHBondContact O-CA 3.49Å; V32-T57 PolarHBondContact O-N 3.36Å; V32-L124 WeakPolarHBondContact CA-O 3.41Å; V32-L124 HydrophobicContact CG2-CB 4.12Å; V32-L124 HydrophobicContact CG2-CD2 4.43Å; V32-I126 HydrophobicContact CG1-CD1 3.8Å; V32-I126 HydrophobicContact CG1-CG1 4.08Å; V32-I508 HydrophobicContact CG2-CD1 3.95Å
33	C	98.9	Very high	98.2	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	125.3	167.8	-179.6	0	0	0	0	110.2	T57 F122 L124 V125 I126	C33-T57 CarbonylContact C-O 3.57Å; C33-T57 WeakPolarHBondContact CA-O 3.43Å; C33-F122 HydrophobicContact CB-CB 4.19Å; C33-F122 HydrophobicContact CB-CD1 3.7Å; C33-F122 HydrophobicContact CB-CD2 3.44Å; C33-F122 VanDerWaalsContact CB-CD2 3.44Å; C33-F122 HydrophobicContact CB-CE1 3.83Å; C33-F122 HydrophobicContact CB-CE2 3.59Å; C33-F122 HydrophobicContact CB-CG 3.49Å; C33-F122 VanDerWaalsContact CB-CG 3.49Å; C33-F122 HydrophobicContact CB-CZ 3.78Å; C33-L124 PolarHBondContact N-O 3.49Å; C33-V125 HydrophobicContact CB-CG1 4.32Å; C33-V125 HydrophobicContact CB-CG2 4.19Å; C33-V125 CarbonylContact O-C 3.59Å; C33-I126 PolarHBondContact O-N 3.09Å
34	L	98.9	Very high	98.3	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	128.4	169.1	178	73	0	0	0	109.2	G41 L45 T57 I58 V59 I126 V128	L34-G41 WeakPolarHBondContact CD2-O 3.24Å; L34-L45 HydrophobicContact CB-CD1 4.48Å; L34-L45 HydrophobicContact CB-CD2 4.34Å; L34-L45 HydrophobicContact CD2-CB 4.17Å; L34-L45 HydrophobicContact CD2-CD2 3.8Å; L34-L45 HydrophobicContact CD2-CG 4.47Å; L34-T57 PolarHBondContact N-O 2.92Å; L34-I58 HydrophobicContact CD2-CD1 4.47Å; L34-I58 HydrophobicContact CD2-CG1 4.41Å; L34-I58 CarbonylContact O-C 3.59Å; L34-I58 WeakPolarHBondContact O-CA 3.47Å; L34-V59 PolarHBondContact O-N 2.94Å; L34-I126 HydrophobicContact CD1-CB 4.21Å; L34-I126 HydrophobicContact CD1-CG2 4.13Å; L34-V128 HydrophobicContact CD1-CG2 3.73Å
35	I	98.8	Very high	98.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	125.3	172.8	-51.8	174.5	0	0	0	108.9	V59 P108 F119 V125 I126 V128 L130 L138	I35-V59 WeakPolarHBondContact CA-O 3.44Å; I35-V59 HydrophobicContact CG1-CB 4.39Å; I35-P108 HydrophobicContact CD1-CB 4.4Å; I35-P108 HydrophobicContact CG2-CB 3.86Å; I35-P108 HydrophobicContact CG2-CG 3.72Å; I35-F119 HydrophobicContact CD1-CE1 3.89Å; I35-F119 HydrophobicContact CD1-CZ 4.37Å; I35-F119 HydrophobicContact CG1-CE1 4.38Å; I35-V125 HydrophobicContact CD1-CG1 3.85Å; I35-V125 HydrophobicContact CG1-CG1 4.29Å; I35-I126 PolarHBondContact N-O 3.15Å; I35-V128 WeakPolarHBondContact O-CB 2.99Å; I35-V128 PolarHBondContact O-N 3.03Å; I35-L130 HydrophobicContact CG2-CD2 3.82Å; I35-L138 HydrophobicContact CD1-CD2 3.22Å
36	N	98.4	Very high	98.5	Very high	9 Å²	9	18.5 Å²	18.5	5%	0.048	9%	0.091	C	C	.	.			trans	65	119.2	-170.2	-58.2	-40.7	0	0	0	114.5	T38 V59 D60 V128	N36-T38 VanDerWaalsContact C-N 3.35Å; N36-T38 HydrophobicContact CB-CG2 4.39Å; N36-T38 PolarHBondContact O-N 3.13Å; N36-V59 PolarHBondContact N-O 3.36Å; N36-D60 VanDerWaalsContact CA-OD2 3.28Å; N36-D60 WeakPolarHBondContact CA-OD2 3.38Å; N36-V128 WeakPolarHBondContact CB-O 3.37Å; N36-V128 PolarHBondContact ND2-O 2.91Å
37	S	97.6	Very high	98.6	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.082	C	C	.	.			trans	-97	54.3	175.6	53.4	0	0	0	0	112.1	D60 N72 R84	S37-D60 PolarHBondContact N-OD2 3.13Å; S37-D60 PolarHBondContact OG-OD2 3.1Å; S37-N72 PolarHBondContact O-ND2 2.91Å; S37-R84 WeakPolarHBondContact OG-CG 3.36Å; S37-R84 PolarHBondContact OG-O 2.92Å
38	T	98.3	Very high	98.6	Very high	10 Å²	10	16.3 Å²	16.3	6%	0.061	8%	0.082	C	C	.	.	S	Bend	trans	-72.6	-178.4	165.8	69	0	0	0	0	110.6	N36 S40 G41 T42 N72 Q129 E488	N36-T38 VanDerWaalsContact C-N 3.35Å; N36-T38 HydrophobicContact CB-CG2 4.39Å; N36-T38 PolarHBondContact O-N 3.13Å; T38-S40 VanDerWaalsContact C-N 3.29Å; T38-S40 PolarHBondContact O-N 3.16Å; T38-G41 PolarHBondContact O-N 3.44Å; T38-G41 VanDerWaalsContact O-N 3.11Å; T38-T42 PolarHBondContact O-N 3.5Å; T38-T42 PolarHBondContact O-OG1 3.22Å; T38-T42 VanDerWaalsContact O-OG1 3.06Å; T38-N72 PolarHBondContact O-ND2 3.36Å; T38-Q129 HydrophobicContact CG2-CB 4.5Å; T38-Q129 HydrophobicContact CG2-CG 4.11Å; T38-E488 VanDerWaalsContact CB-OE1 3.31Å; T38-E488 WeakPolarHBondContact CB-OE1 3.41Å; T38-E488 VanDerWaalsContact CB-OE2 3.29Å; T38-E488 WeakPolarHBondContact CB-OE2 3.43Å; T38-E488 PolarHBondContact OG1-OE1 2.86Å
39	A	98.4	Very high	98.6	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-56.4	-44.4	-178.1	0	0	0	0	0	111.7	G41 T42 E43 N71 E488 A493	A39-G41 PolarHBondContact O-N 3.5Å; A39-T42 PolarHBondContact O-N 3.37Å; A39-T42 PolarHBondContact O-OG1 2.95Å; A39-E43 WeakPolarHBondContact O-CB 3.4Å; A39-E43 VanDerWaalsContact O-CG 3.27Å; A39-E43 WeakPolarHBondContact O-CG 3.49Å; A39-E43 PolarHBondContact O-N 3.38Å; A39-N71 VanDerWaalsContact CB-O 3.27Å; A39-N71 WeakPolarHBondContact CB-O 3.12Å; A39-E488 HydrophobicContact CB-CG 4.25Å; A39-E488 WeakPolarHBondContact CB-OE2 3.43Å; A39-E488 PolarHBondContact N-OE1 3.4Å; A39-E488 PolarHBondContact N-OE2 3.38Å; A39-A493 HydrophobicContact CB-CB 3.97Å
40	S	98.4	Very high	98.6	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-61.5	-45.6	176.6	-70.2	0	0	0	0	111.7	T38 T42 E43 I44 T154 E488 A493	T38-S40 VanDerWaalsContact C-N 3.29Å; T38-S40 PolarHBondContact O-N 3.16Å; S40-T42 PolarHBondContact O-N 2.89Å; S40-E43 PolarHBondContact O-N 3.4Å; S40-I44 VanDerWaalsContact O-CG1 3.22Å; S40-I44 WeakPolarHBondContact O-CG1 3.47Å; S40-I44 PolarHBondContact O-N 3.14Å; S40-T154 PolarHBondContact OG-OG1 3.5Å; S40-E488 VanDerWaalsContact CB-OE1 3.29Å; S40-E488 WeakPolarHBondContact CB-OE1 3.36Å; S40-E488 PolarHBondContact N-OE1 3.07Å; S40-E488 PolarHBondContact OG-OE1 2.97Å; S40-A493 VanDerWaalsContact OG-CA 3.31Å; S40-A493 WeakPolarHBondContact OG-CA 3.49Å; S40-A493 WeakPolarHBondContact OG-CB 3.46Å
41	G	98.7	Very high	98.6	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-62.9	-44.5	-178.7	0	0	0	0	0	112.5	L34 T38 A39 I44 L45	L34-G41 WeakPolarHBondContact CD2-O 3.24Å; T38-G41 PolarHBondContact O-N 3.44Å; T38-G41 VanDerWaalsContact O-N 3.11Å; A39-G41 PolarHBondContact O-N 3.5Å; G41-I44 PolarHBondContact O-N 2.92Å; G41-L45 WeakPolarHBondContact O-CB 3.25Å; G41-L45 PolarHBondContact O-N 2.66Å
42	T	98.8	Very high	98.6	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-69.4	-33.3	177.7	52.9	0	0	0	0	112.9	T38 A39 S40 L45 K46 N72 F74 A88 L92	T38-T42 PolarHBondContact O-N 3.5Å; T38-T42 PolarHBondContact O-OG1 3.22Å; T38-T42 VanDerWaalsContact O-OG1 3.06Å; A39-T42 PolarHBondContact O-N 3.37Å; A39-T42 PolarHBondContact O-OG1 2.95Å; S40-T42 PolarHBondContact O-N 2.89Å; T42-L45 PolarHBondContact O-N 3.4Å; T42-K46 VanDerWaalsContact O-CB 3.31Å; T42-K46 WeakPolarHBondContact O-CB 3.47Å; T42-K46 PolarHBondContact O-N 3.44Å; T42-N72 WeakPolarHBondContact CG2-ND2 3.21Å; T42-N72 VanDerWaalsContact OG1-CG 3.31Å; T42-N72 PolarHBondContact OG1-ND2 2.95Å; T42-N72 VanDerWaalsContact OG1-ND2 3.08Å; T42-N72 PolarHBondContact OG1-OD1 3.18Å; T42-F74 HydrophobicContact CG2-CB 4.11Å; T42-F74 HydrophobicContact CG2-CD2 4.48Å; T42-A88 HydrophobicContact CG2-CB 3.97Å; T42-L92 HydrophobicContact CG2-CD1 4.32Å
43	E	98.9	Very high	98.6	Very high	6 Å²	6	10.2 Å²	10.2	3%	0.028	5%	0.053	C	C	.	.	H	α-helix	trans	-69.1	-37.4	174.8	-77.1	-70.2	105.2	0	0	112.1	A39 S40 K46 N47 S494	A39-E43 WeakPolarHBondContact O-CB 3.4Å; A39-E43 VanDerWaalsContact O-CG 3.27Å; A39-E43 WeakPolarHBondContact O-CG 3.49Å; A39-E43 PolarHBondContact O-N 3.38Å; S40-E43 PolarHBondContact O-N 3.4Å; E43-K46 IonicContact OE1-NZ 3.72Å; E43-K46 PolarHBondContact OE1-NZ 2.97Å; E43-K46 IonicContact OE2-NZ 2.64Å; E43-K46 PolarHBondContact OE2-NZ 2.93Å; E43-N47 PolarHBondContact O-N 3.25Å; E43-N47 PolarHBondContact O-ND2 3.22Å; E43-S494 VanDerWaalsContact CD-OG 3.29Å; E43-S494 WeakPolarHBondContact OE2-CA 3.42Å; E43-S494 VanDerWaalsContact OE2-CB 3.26Å; E43-S494 WeakPolarHBondContact OE2-CB 3.34Å; E43-S494 PolarHBondContact OE2-OG 3.2Å
44	I	98.9	Very high	98.5	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-60.1	-52.1	170	-64.7	169	0	0	0	109.5	S40 G41 K46 N47 L48 I126 V128 C152 A500 A501	S40-I44 VanDerWaalsContact O-CG1 3.22Å; S40-I44 WeakPolarHBondContact O-CG1 3.47Å; S40-I44 PolarHBondContact O-N 3.14Å; G41-I44 PolarHBondContact O-N 2.92Å; I44-K46 PolarHBondContact O-N 2.9Å; I44-N47 PolarHBondContact O-N 3.27Å; I44-N47 VanDerWaalsContact O-N 3.09Å; I44-L48 HydrophobicContact CG2-CD1 4.24Å; I44-L48 PolarHBondContact O-N 3.25Å; I44-I126 HydrophobicContact CD1-CG2 3.98Å; I44-I126 HydrophobicContact CG2-CD1 3.78Å; I44-I126 HydrophobicContact CG2-CG2 4.43Å; I44-V128 HydrophobicContact CD1-CG2 3.93Å; I44-C152 HydrophobicContact CD1-CB 3.97Å; I44-A500 HydrophobicContact CD1-CB 3.85Å; I44-A500 HydrophobicContact CG1-CB 3.84Å; I44-A500 HydrophobicContact CG2-CB 4.5Å; I44-A501 HydrophobicContact CG2-CB 4.41Å
45	L	98.8	Very high	98.5	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-68.8	-36.5	-171.9	-154.2	58.3	0	0	0	112.4	L34 G41 T42 N47 L48 V49 F56 I58 L92	L34-L45 HydrophobicContact CB-CD1 4.48Å; L34-L45 HydrophobicContact CB-CD2 4.34Å; L34-L45 HydrophobicContact CD2-CB 4.17Å; L34-L45 HydrophobicContact CD2-CD2 3.8Å; L34-L45 HydrophobicContact CD2-CG 4.47Å; G41-L45 WeakPolarHBondContact O-CB 3.25Å; G41-L45 PolarHBondContact O-N 2.66Å; T42-L45 PolarHBondContact O-N 3.4Å; L45-N47 VanDerWaalsContact C-N 3.25Å; L45-N47 PolarHBondContact O-N 2.93Å; L45-L48 HydrophobicContact CD1-CD1 4.35Å; L45-L48 PolarHBondContact O-N 3.29Å; L45-V49 HydrophobicContact CG-CG2 4.3Å; L45-V49 WeakPolarHBondContact O-CB 3.34Å; L45-V49 VanDerWaalsContact O-CG2 3.25Å; L45-V49 WeakPolarHBondContact O-CG2 3.43Å; L45-V49 PolarHBondContact O-N 3.14Å; L45-F56 HydrophobicContact CD1-CB 3.85Å; L45-F56 HydrophobicContact CD1-CD2 4.44Å; L45-F56 HydrophobicContact CD1-CG 4.11Å; L45-F56 HydrophobicContact CD2-CB 4.37Å; L45-F56 HydrophobicContact CD2-CD2 3.44Å; L45-F56 VanDerWaalsContact CD2-CD2 3.44Å; L45-F56 HydrophobicContact CD2-CE2 3.75Å; L45-F56 HydrophobicContact CD2-CG 3.9Å; L45-F56 HydrophobicContact CD2-CZ 4.45Å; L45-F56 HydrophobicContact CG-CB 4.48Å; L45-F56 HydrophobicContact CG-CD2 4.24Å; L45-F56 HydrophobicContact CG-CG 4.21Å; L45-I58 HydrophobicContact CD2-CD1 3.71Å; L45-I58 HydrophobicContact CD2-CG1 3.76Å; L45-L92 HydrophobicContact CB-CD1 4.07Å; L45-L92 HydrophobicContact CB-CD2 4.46Å; L45-L92 HydrophobicContact CD2-CD1 3.59Å; L45-L92 HydrophobicContact CG-CD1 4.15Å
46	K	98.8	Very high	98.5	Very high	46 Å²	46	11.7 Å²	11.7	20%	0.2	7%	0.068	C	C	.	.	H	α-helix	trans	-50.1	-48.4	168.9	174.9	-168.4	72.3	-167.8	0	111.3	T42 E43 I44 L48 V49 L50 F74 L92 L95	T42-K46 VanDerWaalsContact O-CB 3.31Å; T42-K46 WeakPolarHBondContact O-CB 3.47Å; T42-K46 PolarHBondContact O-N 3.44Å; E43-K46 IonicContact OE1-NZ 3.72Å; E43-K46 PolarHBondContact OE1-NZ 2.97Å; E43-K46 IonicContact OE2-NZ 2.64Å; E43-K46 PolarHBondContact OE2-NZ 2.93Å; I44-K46 PolarHBondContact O-N 2.9Å; K46-L48 PolarHBondContact O-N 3.02Å; K46-V49 PolarHBondContact O-N 2.9Å; K46-L50 HydrophobicContact CD-CD1 4.49Å; K46-L50 HydrophobicContact CG-CD1 3.84Å; K46-L50 HydrophobicContact CG-CG 4.41Å; K46-L50 WeakPolarHBondContact O-CB 2.82Å; K46-L50 VanDerWaalsContact O-CG 3.3Å; K46-L50 WeakPolarHBondContact O-CG 3.44Å; K46-L50 PolarHBondContact O-N 2.95Å; K46-F74 HydrophobicContact CB-CE2 3.85Å; K46-F74 HydrophobicContact CB-CZ 3.75Å; K46-F74 HydrophobicContact CD-CE2 4Å; K46-F74 HydrophobicContact CD-CZ 3.77Å; K46-F74 HydrophobicContact CG-CE2 4.2Å; K46-F74 HydrophobicContact CG-CZ 3.74Å; K46-L92 HydrophobicContact CB-CD2 4.23Å; K46-L95 HydrophobicContact CB-CD1 4.1Å; K46-L95 HydrophobicContact CG-CD1 3.81Å
47	N	98.8	Very high	98.6	Very high	47 Å²	47	11.6 Å²	11.6	25%	0.251	7%	0.067	S	C	.	.	H	α-helix	trans	-75	-5.2	-178.2	-70.5	-55.7	0	0	0	113.7	E43 I44 L45 P51 A501	E43-N47 PolarHBondContact O-N 3.25Å; E43-N47 PolarHBondContact O-ND2 3.22Å; I44-N47 PolarHBondContact O-N 3.27Å; I44-N47 VanDerWaalsContact O-N 3.09Å; L45-N47 VanDerWaalsContact C-N 3.25Å; L45-N47 PolarHBondContact O-N 2.93Å; N47-P51 WeakPolarHBondContact O-CD 3.36Å; N47-P51 WeakPolarHBondContact O-CG 3.21Å; N47-A501 HydrophobicContact CB-CB 3.34Å
48	L	98.8	Very high	98.6	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-101.2	-34.9	169	-65.6	176.4	0	0	0	112.5	V32 I44 L45 K46 P51 G52 I53 I126 A501 A504 I505	V32-L48 HydrophobicContact CG1-CD1 4.2Å; I44-L48 HydrophobicContact CG2-CD1 4.24Å; I44-L48 PolarHBondContact O-N 3.25Å; L45-L48 HydrophobicContact CD1-CD1 4.35Å; L45-L48 PolarHBondContact O-N 3.29Å; K46-L48 PolarHBondContact O-N 3.02Å; L48-P51 WeakPolarHBondContact O-CD 3.01Å; L48-P51 WeakPolarHBondContact O-CG 3.14Å; L48-G52 PolarHBondContact O-N 2.83Å; L48-I53 HydrophobicContact CB-CB 4.42Å; L48-I53 HydrophobicContact CB-CD1 4.4Å; L48-I53 HydrophobicContact CB-CG2 4.17Å; L48-I53 HydrophobicContact CD1-CD1 4.49Å; L48-I53 WeakPolarHBondContact O-CB 3.46Å; L48-I53 WeakPolarHBondContact O-CG2 3.31Å; L48-I53 PolarHBondContact O-N 2.75Å; L48-I126 HydrophobicContact CD1-CD1 3.92Å; L48-A501 HydrophobicContact CD2-CB 4.13Å; L48-A501 HydrophobicContact CG-CB 4.13Å; L48-A504 HydrophobicContact CD1-CB 4.29Å; L48-A504 HydrophobicContact CD2-CB 4.02Å; L48-I505 HydrophobicContact CD2-CD1 4.3Å; L48-I505 HydrophobicContact CD2-CG1 3.8Å
49	V	98.8	Very high	98.6	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-70	-44.5	178.1	174.5	0	0	0	0	111.3	L45 K46 G52 F56 L95 N96 V99	L45-V49 HydrophobicContact CG-CG2 4.3Å; L45-V49 WeakPolarHBondContact O-CB 3.34Å; L45-V49 VanDerWaalsContact O-CG2 3.25Å; L45-V49 WeakPolarHBondContact O-CG2 3.43Å; L45-V49 PolarHBondContact O-N 3.14Å; K46-V49 PolarHBondContact O-N 2.9Å; V49-G52 PolarHBondContact O-N 3.46Å; V49-F56 HydrophobicContact CG2-CD1 3.72Å; V49-F56 HydrophobicContact CG2-CE1 3.57Å; V49-F56 HydrophobicContact CG2-CZ 4.43Å; V49-L95 HydrophobicContact CB-CD1 4.44Å; V49-L95 HydrophobicContact CG1-CB 3.79Å; V49-L95 HydrophobicContact CG1-CD1 4.37Å; V49-N96 HydrophobicContact CG1-CB 3.67Å; V49-N96 WeakPolarHBondContact O-CB 3.4Å; V49-N96 PolarHBondContact O-ND2 3.18Å; V49-V99 HydrophobicContact CG1-CB 4.29Å; V49-V99 HydrophobicContact CG1-CG1 4.41Å; V49-V99 HydrophobicContact CG1-CG2 4.1Å; V49-V99 HydrophobicContact CG2-CG1 4.3Å
50	L	98.6	Very high	98.6	Very high	82 Å²	82	11.1 Å²	11.1	43%	0.429	6%	0.064	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-49.3	178.2	-73.7	171.2	0	0	0	113.3	K46 G52 L95	K46-L50 HydrophobicContact CD-CD1 4.49Å; K46-L50 HydrophobicContact CG-CD1 3.84Å; K46-L50 HydrophobicContact CG-CG 4.41Å; K46-L50 WeakPolarHBondContact O-CB 2.82Å; K46-L50 VanDerWaalsContact O-CG 3.3Å; K46-L50 WeakPolarHBondContact O-CG 3.44Å; K46-L50 PolarHBondContact O-N 2.95Å; L50-G52 PolarHBondContact O-N 2.88Å; L50-L95 HydrophobicContact CD2-CB 4.26Å; L50-L95 HydrophobicContact CG-CD1 4.5Å
51	P	98	Very high	98.6	Very high	11 Å²	11	12.8 Å²	12.8	7%	0.071	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-2.2	176.6	31.2	-37.4	0	0	0	114.1	Q15 W19 Q24 L27 N47 L48 I505	Q15-P51 PolarHBondContact NE2-O 2.78Å; W19-P51 HydrophobicContact CH2-CB 4.26Å; W19-P51 HydrophobicContact CZ2-CB 4.13Å; Q24-P51 PolarHBondContact NE2-O 3.41Å; L27-P51 HydrophobicContact CD2-CB 3.88Å; L27-P51 HydrophobicContact CD2-CG 4.23Å; N47-P51 WeakPolarHBondContact O-CD 3.36Å; N47-P51 WeakPolarHBondContact O-CG 3.21Å; L48-P51 WeakPolarHBondContact O-CD 3.01Å; L48-P51 WeakPolarHBondContact O-CG 3.14Å; P51-I505 HydrophobicContact CG-CD1 4.2Å
52	G	97.7	Very high	98.6	Very high	3 Å²	3	17.5 Å²	17.5	3%	0.031	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	88	48.2	171.2	0	0	0	0	0	114.5	Y12 E28 L48 V49 L50 N96	Y12-G52 VanDerWaalsContact OH-CA 3.29Å; Y12-G52 WeakPolarHBondContact OH-CA 3.48Å; E28-G52 WeakPolarHBondContact CG-O 3.49Å; L48-G52 PolarHBondContact O-N 2.83Å; V49-G52 PolarHBondContact O-N 3.46Å; L50-G52 PolarHBondContact O-N 2.88Å; G52-N96 WeakPolarHBondContact CA-ND2 3.39Å
53	I	98.6	Very high	98.6	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.129	C	C	.	.			trans	-56.3	141.7	164.5	-166	166.8	0	0	0	111.2	L27 A30 V32 L48 A55 V99 I508	L27-I53 HydrophobicContact CD1-CB 4.27Å; L27-I53 HydrophobicContact CD1-CG1 4.33Å; L27-I53 CarbonylContact O-C 3.58Å; L27-I53 WeakPolarHBondContact O-CA 3.46Å; A30-I53 HydrophobicContact CB-CD1 4.49Å; A30-I53 HydrophobicContact CB-CG1 4.22Å; V32-I53 HydrophobicContact CB-CD1 3.65Å; V32-I53 HydrophobicContact CG2-CD1 3.32Å; L48-I53 HydrophobicContact CB-CB 4.42Å; L48-I53 HydrophobicContact CB-CD1 4.4Å; L48-I53 HydrophobicContact CB-CG2 4.17Å; L48-I53 HydrophobicContact CD1-CD1 4.49Å; L48-I53 WeakPolarHBondContact O-CB 3.46Å; L48-I53 WeakPolarHBondContact O-CG2 3.31Å; L48-I53 PolarHBondContact O-N 2.75Å; I53-A55 PolarHBondContact O-N 2.91Å; I53-V99 HydrophobicContact CG2-CG1 3.9Å; I53-V99 VanDerWaalsContact O-CG1 3.25Å; I53-V99 WeakPolarHBondContact O-CG1 3.32Å; I53-V99 WeakPolarHBondContact O-CG2 3.5Å; I53-I508 HydrophobicContact CD1-CD1 3.99Å
54	G	98.4	Very high	98.5	Very high	17 Å²	17	21.6 Å²	21.6	18%	0.175	13%	0.129	C	C	.	.	S	Bend	trans	-56.1	-55.5	-177.7	0	0	0	0	0	113.9	L27 E28 A30 S100	L27-G54 PolarHBondContact O-N 3.09Å; E28-G54 WeakPolarHBondContact O-CA 3.48Å; A30-G54 WeakPolarHBondContact O-CA 3.5Å; A30-G54 PolarHBondContact O-N 3.36Å; G54-S100 PolarHBondContact O-N 3.45Å
55	A	98.8	Very high	98.5	Very high	15 Å²	15	23.9 Å²	23.9	12%	0.124	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	156.5	178.8	0	0	0	0	0	112.7	A30 H31 V32 I53 S100	A30-A55 PolarHBondContact O-N 3.33Å; H31-A55 WeakPolarHBondContact CA-O 3.32Å; H31-A55 HydrophobicContact CB-CB 4.31Å; H31-A55 PolarHBondContact CD2-O 3.16Å; V32-A55 PolarHBondContact N-O 3.4Å; I53-A55 PolarHBondContact O-N 2.91Å; A55-S100 CarbonylContact C-O 3.02Å; A55-S100 WeakPolarHBondContact CA-O 3.29Å; A55-S100 WeakPolarHBondContact CB-O 3.33Å
56	F	98.9	Very high	98.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	156.6	167.1	68.4	-93.1	0	0	0	112.4	V32 L45 V49 I58 T89 L92 V99 S100 G101 N102	V32-F56 CarbonylContact O-C 3.53Å; V32-F56 WeakPolarHBondContact O-CA 3.49Å; L45-F56 HydrophobicContact CD1-CB 3.85Å; L45-F56 HydrophobicContact CD1-CD2 4.44Å; L45-F56 HydrophobicContact CD1-CG 4.11Å; L45-F56 HydrophobicContact CD2-CB 4.37Å; L45-F56 HydrophobicContact CD2-CD2 3.44Å; L45-F56 VanDerWaalsContact CD2-CD2 3.44Å; L45-F56 HydrophobicContact CD2-CE2 3.75Å; L45-F56 HydrophobicContact CD2-CG 3.9Å; L45-F56 HydrophobicContact CD2-CZ 4.45Å; L45-F56 HydrophobicContact CG-CB 4.48Å; L45-F56 HydrophobicContact CG-CD2 4.24Å; L45-F56 HydrophobicContact CG-CG 4.21Å; V49-F56 HydrophobicContact CG2-CD1 3.72Å; V49-F56 HydrophobicContact CG2-CE1 3.57Å; V49-F56 HydrophobicContact CG2-CZ 4.43Å; F56-I58 HydrophobicContact CD2-CG1 3.97Å; F56-I58 HydrophobicContact CE2-CD1 4.15Å; F56-I58 HydrophobicContact CE2-CG1 4.04Å; F56-T89 HydrophobicContact CE2-CG2 3.93Å; F56-T89 HydrophobicContact CZ-CG2 4.19Å; F56-L92 HydrophobicContact CZ-CB 4.08Å; F56-V99 HydrophobicContact CD1-CG1 3.62Å; F56-V99 HydrophobicContact CE1-CG1 3.83Å; F56-S100 PolarHBondContact N-O 3.22Å; F56-G101 VanDerWaalsContact CE1-CA 3.47Å; F56-N102 PolarHBondContact O-N 3.08Å
57	T	98.9	Very high	98.2	Very high	6 Å²	6	32.1 Å²	32.1	4%	0.037	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	124.8	170.1	-59.6	0	0	0	0	110.4	H31 V32 C33 L34 N102 V104 F122	H31-T57 PolarHBondContact NE2-OG1 3.35Å; V32-T57 PolarHBondContact O-N 3.36Å; C33-T57 CarbonylContact C-O 3.57Å; C33-T57 WeakPolarHBondContact CA-O 3.43Å; L34-T57 PolarHBondContact N-O 2.92Å; T57-N102 CarbonylContact C-O 3.52Å; T57-N102 VanDerWaalsContact CA-O 3.26Å; T57-N102 WeakPolarHBondContact CA-O 3.46Å; T57-N102 HydrophobicContact CG2-CB 4.39Å; T57-V104 HydrophobicContact CG2-CG2 4.11Å; T57-F122 HydrophobicContact CG2-CZ 4.39Å
58	I	98.9	Very high	98.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	125.2	175.2	-51.7	-173.4	0	0	0	109.7	L34 L45 F56 D60 A85 A88 T89 L92 N102 F103 V104	L34-I58 HydrophobicContact CD2-CD1 4.47Å; L34-I58 HydrophobicContact CD2-CG1 4.41Å; L34-I58 CarbonylContact O-C 3.59Å; L34-I58 WeakPolarHBondContact O-CA 3.47Å; L45-I58 HydrophobicContact CD2-CD1 3.71Å; L45-I58 HydrophobicContact CD2-CG1 3.76Å; F56-I58 HydrophobicContact CD2-CG1 3.97Å; F56-I58 HydrophobicContact CE2-CD1 4.15Å; F56-I58 HydrophobicContact CE2-CG1 4.04Å; I58-D60 HydrophobicContact CG2-CB 4.4Å; I58-A85 HydrophobicContact CB-CB 3.96Å; I58-A85 HydrophobicContact CG2-CB 3.59Å; I58-A88 HydrophobicContact CD1-CB 4.09Å; I58-T89 WeakPolarHBondContact CD1-OG1 3.44Å; I58-L92 HydrophobicContact CD1-CD1 3.96Å; I58-N102 PolarHBondContact N-O 3.08Å; I58-F103 HydrophobicContact CB-CB 4.49Å; I58-F103 CarbonylContact O-C 3.58Å; I58-F103 VanDerWaalsContact O-CA 3.23Å; I58-F103 WeakPolarHBondContact O-CA 3.43Å; I58-V104 PolarHBondContact O-N 3.2Å
59	V	98.8	Very high	98.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	109.5	170.9	175.2	0	0	0	0	108.1	L34 I35 N36 V104 E106 L111 F118	L34-V59 PolarHBondContact O-N 2.94Å; I35-V59 WeakPolarHBondContact CA-O 3.44Å; I35-V59 HydrophobicContact CG1-CB 4.39Å; N36-V59 PolarHBondContact N-O 3.36Å; V59-V104 HydrophobicContact CG2-CB 4.36Å; V59-E106 WeakPolarHBondContact CG1-O 3.43Å; V59-L111 HydrophobicContact CB-CD1 4.41Å; V59-L111 HydrophobicContact CG1-CD1 3.51Å; V59-L111 HydrophobicContact CG2-CD1 3.95Å; V59-F118 HydrophobicContact CG2-CE1 3.75Å; V59-F118 HydrophobicContact CG2-CZ 3.85Å
60	D	98.6	Very high	98	Very high	0 Å²	0	35 Å²	35	0%	0	23%	0.231	C	C	.	.			trans	-152.9	118.8	175.8	-155.3	-29.6	0	0	0	111.9	N36 S37 I58 H62 N83 R84 A85 V104 E106	N36-D60 VanDerWaalsContact CA-OD2 3.28Å; N36-D60 WeakPolarHBondContact CA-OD2 3.38Å; S37-D60 PolarHBondContact N-OD2 3.13Å; S37-D60 PolarHBondContact OG-OD2 3.1Å; I58-D60 HydrophobicContact CG2-CB 4.4Å; D60-H62 WeakPolarHBondContact OD1-CB 3.41Å; D60-H62 IonicContact OD1-CG 2.76Å; D60-H62 PolarHBondContact OD1-N 2.9Å; D60-H62 IonicContact OD1-ND1 2.67Å; D60-H62 PolarHBondContact OD1-ND1 3.1Å; D60-N83 PolarHBondContact O-ND2 3.32Å; D60-R84 VanDerWaalsContact CG-NH2 3.32Å; D60-R84 IonicContact OD1-CZ 3.91Å; D60-R84 IonicContact OD1-NE 3.89Å; D60-R84 IonicContact OD1-NH2 2.92Å; D60-R84 PolarHBondContact OD1-NH2 3.39Å; D60-R84 VanDerWaalsContact OD1-NH2 3.13Å; D60-R84 IonicContact OD2-CZ 2.69Å; D60-R84 IonicContact OD2-NE 2.83Å; D60-R84 PolarHBondContact OD2-NE 3.26Å; D60-R84 IonicContact OD2-NH2 3.72Å; D60-R84 PolarHBondContact OD2-NH2 2.74Å; D60-A85 HydrophobicContact CB-CB 3.62Å; D60-V104 PolarHBondContact N-O 3.24Å; D60-V104 VanDerWaalsContact N-O 3.13Å; D60-E106 CarbonylContact C-O 3.47Å
61	G	97.6	Very high	97.9	Very high	35 Å²	35	32.9 Å²	32.9	36%	0.361	22%	0.22	S	C	.	.			trans	-86.9	-4.4	176.6	0	0	0	0	0	114.3	E106	G61-E106 PolarHBondContact N-O 3.41Å
62	H	98	Very high	97.9	Very high	99 Å²	99	32.6 Å²	32.6	46%	0.458	22%	0.218	S	C	.	.	P	Polyproline II helix	trans	-85.2	154.7	-174.8	-59	85.2	0	0	0	112.4	D60 R84	D60-H62 WeakPolarHBondContact OD1-CB 3.41Å; D60-H62 IonicContact OD1-CG 2.76Å; D60-H62 PolarHBondContact OD1-N 2.9Å; D60-H62 IonicContact OD1-ND1 2.67Å; D60-H62 PolarHBondContact OD1-ND1 3.1Å; H62-R84 PolarHBondContact ND1-NH2 3.18Å; H62-R84 WeakPolarHBondContact O-CB 3.39Å; H62-R84 PolarHBondContact O-N 2.84Å
63	T	98.3	Very high	97.9	Very high	90 Å²	90	39.9 Å²	39.9	55%	0.552	25%	0.249	S	C	*	.	B	Isolated β-bridge	trans	-92.5	143.8	170.5	55.3	0	0	0	0	110.5	S65 R82	T63-S65 PolarHBondContact O-N 3.09Å; T63-R82 CarbonylContact C-O 3.58Å; T63-R82 VanDerWaalsContact CA-O 3.29Å; T63-R82 WeakPolarHBondContact CA-O 3.24Å
64	V	98.4	Very high	97.9	Very high	3 Å²	3	40.1 Å²	40.1	2%	0.018	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-60.8	122.5	176.5	179.3	0	0	0	0	110.6	D68 V69 L75 S79 I80 G81 R82 R84 A87	V64-D68 HydrophobicContact CG1-CB 4.3Å; V64-V69 HydrophobicContact CG1-CG2 3.55Å; V64-L75 HydrophobicContact CG1-CD1 4.28Å; V64-L75 HydrophobicContact CG2-CD1 4.4Å; V64-L75 HydrophobicContact CG2-CD2 3.89Å; V64-S79 VanDerWaalsContact CB-O 3.28Å; V64-S79 WeakPolarHBondContact CB-O 2.81Å; V64-I80 HydrophobicContact CG1-CG1 4.44Å; V64-G81 PolarHBondContact O-N 3.39Å; V64-R82 PolarHBondContact N-O 2.94Å; V64-R84 HydrophobicContact CG2-CB 4.03Å; V64-R84 HydrophobicContact CG2-CG 4.1Å; V64-A87 HydrophobicContact CG2-CB 4.17Å
65	S	97.4	Very high	97.9	Very high	48 Å²	48	39.7 Å²	39.7	34%	0.336	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-96.2	173.5	172.7	76.2	0	0	0	0	112.1	T63 E67 D68 V69	T63-S65 PolarHBondContact O-N 3.09Å; S65-E67 VanDerWaalsContact C-N 3.31Å; S65-E67 PolarHBondContact OG-N 3.16Å; S65-D68 WeakPolarHBondContact CA-OD2 3.42Å; S65-D68 VanDerWaalsContact CB-OD2 3.24Å; S65-D68 WeakPolarHBondContact CB-OD2 3.49Å; S65-D68 PolarHBondContact N-OD2 3.35Å; S65-D68 PolarHBondContact O-N 3.19Å; S65-D68 PolarHBondContact OG-N 3.03Å; S65-D68 PolarHBondContact OG-OD2 3.29Å; S65-V69 PolarHBondContact O-N 3.43Å
66	G	97.3	Very high	97.7	Very high	52 Å²	52	41.3 Å²	41.3	54%	0.536	25%	0.254	S	S	.	.	H	α-helix	trans	-66.1	-32.4	173.7	0	0	0	0	0	113.3	V69 G70	G66-V69 PolarHBondContact O-N 3.34Å; G66-G70 PolarHBondContact O-N 3.11Å; G66-G70 VanDerWaalsContact O-N 3.1Å
67	E	95.2	Very high	97.6	Very high	166 Å²	166	47.2 Å²	47.2	78%	0.776	29%	0.286	S	S	*	.	H	α-helix	trans	-68.1	-42.5	176.6	-67.2	179.2	-171.9	0	0	111	S65 V69 G70 N71	S65-E67 VanDerWaalsContact C-N 3.31Å; S65-E67 PolarHBondContact OG-N 3.16Å; E67-V69 VanDerWaalsContact C-N 3.3Å; E67-V69 PolarHBondContact O-N 2.89Å; E67-G70 WeakPolarHBondContact O-CA 3.39Å; E67-G70 PolarHBondContact O-N 3.36Å; E67-N71 PolarHBondContact O-N 3.19Å; E67-N71 PolarHBondContact O-OD1 3.27Å
68	D	97.3	Very high	97.5	Very high	17 Å²	17	54 Å²	54	9%	0.091	32%	0.322	C	S	.	.	H	α-helix	trans	-58	-43.1	176.6	-62.8	-75.7	0	0	0	111	V64 S65 G70 N71 N72 L75 R84	V64-D68 HydrophobicContact CG1-CB 4.3Å; S65-D68 WeakPolarHBondContact CA-OD2 3.42Å; S65-D68 VanDerWaalsContact CB-OD2 3.24Å; S65-D68 WeakPolarHBondContact CB-OD2 3.49Å; S65-D68 PolarHBondContact N-OD2 3.35Å; S65-D68 PolarHBondContact O-N 3.19Å; S65-D68 PolarHBondContact OG-N 3.03Å; S65-D68 PolarHBondContact OG-OD2 3.29Å; D68-G70 VanDerWaalsContact C-N 3.3Å; D68-G70 PolarHBondContact O-N 3.37Å; D68-N71 PolarHBondContact O-N 3.03Å; D68-N71 PolarHBondContact O-OD1 3.39Å; D68-N71 VanDerWaalsContact O-OD1 3.14Å; D68-N72 WeakPolarHBondContact O-CB 3.34Å; D68-N72 PolarHBondContact O-N 2.89Å; D68-L75 HydrophobicContact CB-CD1 3.72Å; D68-R84 WeakPolarHBondContact OD1-CD 3.34Å; D68-R84 IonicContact OD1-CZ 3.68Å; D68-R84 IonicContact OD1-NH1 3.81Å; D68-R84 PolarHBondContact OD1-NH1 2.92Å
69	V	97.2	Very high	97.4	Very high	21 Å²	21	54.2 Å²	54.2	13%	0.127	32%	0.323	C	S	.	.	H	α-helix	trans	-69.2	-30.7	177.1	178.4	0	0	0	0	112.1	V64 S65 G66 E67 N71 L75 S76 N77 I80	V64-V69 HydrophobicContact CG1-CG2 3.55Å; S65-V69 PolarHBondContact O-N 3.43Å; G66-V69 PolarHBondContact O-N 3.34Å; E67-V69 VanDerWaalsContact C-N 3.3Å; E67-V69 PolarHBondContact O-N 2.89Å; V69-N71 VanDerWaalsContact C-N 3.32Å; V69-N71 PolarHBondContact O-N 2.65Å; V69-L75 HydrophobicContact CG2-CB 4.26Å; V69-S76 WeakPolarHBondContact CG2-O 3.43Å; V69-N77 WeakPolarHBondContact CG1-OD1 3.26Å; V69-I80 HydrophobicContact CG2-CD1 4.3Å; V69-I80 HydrophobicContact CG2-CG1 3.7Å
70	G	96.6	Very high	97.3	Very high	71 Å²	71	58.5 Å²	58.5	73%	0.732	35%	0.345	S	S	*	.	H	α-helix	trans	-69.3	-26.7	179.9	0	0	0	0	0	114.1	G66 E67 D68	G66-G70 PolarHBondContact O-N 3.11Å; G66-G70 VanDerWaalsContact O-N 3.1Å; E67-G70 WeakPolarHBondContact O-CA 3.39Å; E67-G70 PolarHBondContact O-N 3.36Å; D68-G70 VanDerWaalsContact C-N 3.3Å; D68-G70 PolarHBondContact O-N 3.37Å
71	N	96.9	Very high	97.3	Very high	36 Å²	36	61.2 Å²	61.2	19%	0.193	37%	0.373	C	S	.	.	H	α-helix	trans	-122.6	1.9	-175.4	80.7	-21	0	0	0	114.9	A39 E67 D68 V69 E488 H490	A39-N71 VanDerWaalsContact CB-O 3.27Å; A39-N71 WeakPolarHBondContact CB-O 3.12Å; E67-N71 PolarHBondContact O-N 3.19Å; E67-N71 PolarHBondContact O-OD1 3.27Å; D68-N71 PolarHBondContact O-N 3.03Å; D68-N71 PolarHBondContact O-OD1 3.39Å; D68-N71 VanDerWaalsContact O-OD1 3.14Å; V69-N71 VanDerWaalsContact C-N 3.32Å; V69-N71 PolarHBondContact O-N 2.65Å; N71-E488 PolarHBondContact ND2-O 3.27Å; N71-E488 PolarHBondContact ND2-OE2 2.92Å; N71-H490 PolarHBondContact O-ND1 2.72Å
72	N	98.2	Very high	97.3	Very high	6 Å²	6	63.5 Å²	63.5	3%	0.032	37%	0.371	C	S	.	.			trans	-118.6	120.1	-177.7	-165.2	-34.3	0	0	0	111.9	S37 T38 T42 D68 F74 L75	S37-N72 PolarHBondContact O-ND2 2.91Å; T38-N72 PolarHBondContact O-ND2 3.36Å; T42-N72 WeakPolarHBondContact CG2-ND2 3.21Å; T42-N72 VanDerWaalsContact OG1-CG 3.31Å; T42-N72 PolarHBondContact OG1-ND2 2.95Å; T42-N72 VanDerWaalsContact OG1-ND2 3.08Å; T42-N72 PolarHBondContact OG1-OD1 3.18Å; D68-N72 WeakPolarHBondContact O-CB 3.34Å; D68-N72 PolarHBondContact O-N 2.89Å; N72-F74 PolarHBondContact O-N 3.22Å; N72-F74 WeakPolarHBondContact OD1-CA 3.32Å; N72-F74 PolarHBondContact OD1-N 3.05Å; N72-L75 HydrophobicContact CB-CB 4.2Å; N72-L75 HydrophobicContact CB-CD1 3.91Å; N72-L75 HydrophobicContact CB-CG 4.13Å; N72-L75 PolarHBondContact O-N 3.3Å
73	F	98	Very high	97.3	Very high	155 Å²	155	59.7 Å²	59.7	68%	0.68	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-22	178.8	-170.7	-99.1	0	0	0	113.3
74	F	98.3	Very high	97.3	Very high	5 Å²	5	56.3 Å²	56.3	2%	0.022	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	22.9	-177.5	-59.1	-83.2	0	0	0	112.5	T42 K46 N72 L91 L92 L95	T42-F74 HydrophobicContact CG2-CB 4.11Å; T42-F74 HydrophobicContact CG2-CD2 4.48Å; K46-F74 HydrophobicContact CB-CE2 3.85Å; K46-F74 HydrophobicContact CB-CZ 3.75Å; K46-F74 HydrophobicContact CD-CE2 4Å; K46-F74 HydrophobicContact CD-CZ 3.77Å; K46-F74 HydrophobicContact CG-CE2 4.2Å; K46-F74 HydrophobicContact CG-CZ 3.74Å; N72-F74 PolarHBondContact O-N 3.22Å; N72-F74 WeakPolarHBondContact OD1-CA 3.32Å; N72-F74 PolarHBondContact OD1-N 3.05Å; F74-L91 VanDerWaalsContact C-CD1 3.47Å; F74-L91 HydrophobicContact CB-CB 4.31Å; F74-L91 HydrophobicContact CD1-CB 4.09Å; F74-L91 WeakPolarHBondContact O-CD1 3.39Å; F74-L92 HydrophobicContact CB-CG 4.37Å; F74-L92 HydrophobicContact CD1-CD2 3.65Å; F74-L92 HydrophobicContact CD1-CG 3.82Å; F74-L92 HydrophobicContact CD2-CD2 4.1Å; F74-L92 HydrophobicContact CE1-CD2 3.65Å; F74-L92 HydrophobicContact CE1-CG 4.28Å; F74-L92 HydrophobicContact CE2-CD2 4.08Å; F74-L92 HydrophobicContact CG-CD2 3.89Å; F74-L92 HydrophobicContact CG-CG 4.01Å; F74-L92 HydrophobicContact CZ-CD2 3.86Å; F74-L95 HydrophobicContact CE1-CD1 3.7Å; F74-L95 HydrophobicContact CE1-CD2 4.09Å; F74-L95 HydrophobicContact CE1-CG 4.03Å; F74-L95 HydrophobicContact CZ-CD1 3.86Å; F74-L95 HydrophobicContact CZ-CD2 4.49Å
75	L	97.8	Very high	97.3	Very high	9 Å²	9	56.1 Å²	56.1	5%	0.047	33%	0.33	C	S	.	.			trans	-134.7	134	169.2	-63.4	173.5	0	0	0	109.2	V64 D68 V69 N72 R84 A87 A88	V64-L75 HydrophobicContact CG1-CD1 4.28Å; V64-L75 HydrophobicContact CG2-CD1 4.4Å; V64-L75 HydrophobicContact CG2-CD2 3.89Å; D68-L75 HydrophobicContact CB-CD1 3.72Å; V69-L75 HydrophobicContact CG2-CB 4.26Å; N72-L75 HydrophobicContact CB-CB 4.2Å; N72-L75 HydrophobicContact CB-CD1 3.91Å; N72-L75 HydrophobicContact CB-CG 4.13Å; N72-L75 PolarHBondContact O-N 3.3Å; L75-R84 HydrophobicContact CD1-CG 3.97Å; L75-R84 HydrophobicContact CD2-CG 4.42Å; L75-A87 HydrophobicContact CD2-CB 3.71Å; L75-A88 HydrophobicContact CD2-CB 4.28Å
76	S	95.9	Very high	97.4	Very high	48 Å²	48	56.3 Å²	56.3	34%	0.336	33%	0.326	S	S	.	.			trans	-108.6	164.4	179.9	66.5	0	0	0	0	111.6	V69 N78 S79	V69-S76 WeakPolarHBondContact CG2-O 3.43Å; S76-N78 PolarHBondContact O-N 2.99Å; S76-N78 VanDerWaalsContact O-N 3.1Å; S76-S79 PolarHBondContact N-OG 2.93Å; S76-S79 WeakPolarHBondContact O-CA 3.32Å; S76-S79 WeakPolarHBondContact O-CB 2.97Å; S76-S79 PolarHBondContact O-N 2.94Å; S76-S79 PolarHBondContact O-OG 3.02Å; S76-S79 PolarHBondContact OG-OG 3.43Å
77	N	96.4	Very high	97.4	Very high	125 Å²	125	53.9 Å²	53.9	67%	0.668	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-54	-32.7	174.2	-79	-7.7	0	0	0	112.9	V69 S79 I80	V69-N77 WeakPolarHBondContact CG1-OD1 3.26Å; N77-S79 PolarHBondContact O-N 3.23Å; N77-I80 WeakPolarHBondContact O-CG1 3.43Å; N77-I80 PolarHBondContact O-N 3.19Å
78	N	96.3	Very high	97.6	Very high	148 Å²	148	46 Å²	46	79%	0.791	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-71.8	-10.1	177.2	-65.1	-18.6	0	0	0	113.1	S76	S76-N78 PolarHBondContact O-N 2.99Å; S76-N78 VanDerWaalsContact O-N 3.1Å
79	S	96.6	Very high	97.6	Very high	4 Å²	4	45.6 Å²	45.6	3%	0.028	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-85.7	-17.2	-180	-48.8	0	0	0	0	112.5	V64 S76 N77 G81 R82	V64-S79 VanDerWaalsContact CB-O 3.28Å; V64-S79 WeakPolarHBondContact CB-O 2.81Å; S76-S79 PolarHBondContact N-OG 2.93Å; S76-S79 WeakPolarHBondContact O-CA 3.32Å; S76-S79 WeakPolarHBondContact O-CB 2.97Å; S76-S79 PolarHBondContact O-N 2.94Å; S76-S79 PolarHBondContact O-OG 3.02Å; S76-S79 PolarHBondContact OG-OG 3.43Å; N77-S79 PolarHBondContact O-N 3.23Å; S79-G81 PolarHBondContact O-N 3.06Å; S79-R82 VanDerWaalsContact O-CB 3.24Å; S79-R82 WeakPolarHBondContact O-CB 3.49Å; S79-R82 PolarHBondContact O-N 3.44Å
80	I	97.9	Very high	97.7	Very high	91 Å²	91	48.5 Å²	48.5	47%	0.467	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	127.5	-177.7	-62.5	174.8	0	0	0	110.3	V64 V69 N77 R82	V64-I80 HydrophobicContact CG1-CG1 4.44Å; V69-I80 HydrophobicContact CG2-CD1 4.3Å; V69-I80 HydrophobicContact CG2-CG1 3.7Å; N77-I80 WeakPolarHBondContact O-CG1 3.43Å; N77-I80 PolarHBondContact O-N 3.19Å; I80-R82 VanDerWaalsContact C-N 3.3Å; I80-R82 PolarHBondContact O-N 2.8Å
81	G	97.5	Very high	97.7	Very high	57 Å²	57	47.7 Å²	47.7	59%	0.588	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.6	-9.7	-177.1	0	0	0	0	0	115.5	V64 S79	V64-G81 PolarHBondContact O-N 3.39Å; S79-G81 PolarHBondContact O-N 3.06Å
82	R	98	Very high	97.8	Very high	83 Å²	83	46 Å²	46	31%	0.313	24%	0.243	S	C	.	.	S	Bend	trans	-79.9	164.8	169.5	-57.5	178.3	63.6	-162.5	-3.8	110.5	T63 V64 S79 I80 E90	T63-R82 CarbonylContact C-O 3.58Å; T63-R82 VanDerWaalsContact CA-O 3.29Å; T63-R82 WeakPolarHBondContact CA-O 3.24Å; V64-R82 PolarHBondContact N-O 2.94Å; S79-R82 VanDerWaalsContact O-CB 3.24Å; S79-R82 WeakPolarHBondContact O-CB 3.49Å; S79-R82 PolarHBondContact O-N 3.44Å; I80-R82 VanDerWaalsContact C-N 3.3Å; I80-R82 PolarHBondContact O-N 2.8Å; R82-E90 IonicContact CZ-OE1 3.58Å; R82-E90 IonicContact CZ-OE2 2.71Å; R82-E90 IonicContact NH1-OE1 4Å; R82-E90 IonicContact NH1-OE2 3.25Å; R82-E90 PolarHBondContact NH1-OE2 3.46Å; R82-E90 VanDerWaalsContact NH2-CD 3.28Å; R82-E90 IonicContact NH2-OE1 2.68Å; R82-E90 PolarHBondContact NH2-OE1 2.76Å; R82-E90 IonicContact NH2-OE2 3.42Å; R82-E90 PolarHBondContact NH2-OE2 3.45Å; R82-E90 VanDerWaalsContact NH2-OE2 3.09Å
83	N	98.4	Very high	97.7	Very high	18 Å²	18	48.5 Å²	48.5	10%	0.096	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-63.4	135.1	171	176.8	-83.9	0	0	0	110.4	D60 A85 Q86 A87 E105	D60-N83 PolarHBondContact O-ND2 3.32Å; N83-A85 WeakPolarHBondContact OD1-CA 3.44Å; N83-A85 WeakPolarHBondContact OD1-CB 3.45Å; N83-A85 PolarHBondContact OD1-N 2.94Å; N83-Q86 HydrophobicContact CB-CB 4.2Å; N83-Q86 PolarHBondContact OD1-N 2.9Å; N83-A87 WeakPolarHBondContact O-CB 3.34Å; N83-A87 PolarHBondContact O-N 3.39Å; N83-A87 VanDerWaalsContact O-N 3.1Å; N83-E105 HydrophobicContact CB-CG 4.1Å
84	R	98.3	Very high	97.7	Very high	19 Å²	19	48 Å²	48	7%	0.072	26%	0.255	C	S	.	.	H	α-helix	trans	-70.2	-38.1	-174.6	-163.8	171.7	58.3	-167.2	-5.7	112.6	S37 D60 H62 V64 D68 L75 A88	S37-R84 WeakPolarHBondContact OG-CG 3.36Å; S37-R84 PolarHBondContact OG-O 2.92Å; D60-R84 VanDerWaalsContact CG-NH2 3.32Å; D60-R84 IonicContact OD1-CZ 3.91Å; D60-R84 IonicContact OD1-NE 3.89Å; D60-R84 IonicContact OD1-NH2 2.92Å; D60-R84 PolarHBondContact OD1-NH2 3.39Å; D60-R84 VanDerWaalsContact OD1-NH2 3.13Å; D60-R84 IonicContact OD2-CZ 2.69Å; D60-R84 IonicContact OD2-NE 2.83Å; D60-R84 PolarHBondContact OD2-NE 3.26Å; D60-R84 IonicContact OD2-NH2 3.72Å; D60-R84 PolarHBondContact OD2-NH2 2.74Å; H62-R84 PolarHBondContact ND1-NH2 3.18Å; H62-R84 WeakPolarHBondContact O-CB 3.39Å; H62-R84 PolarHBondContact O-N 2.84Å; V64-R84 HydrophobicContact CG2-CB 4.03Å; V64-R84 HydrophobicContact CG2-CG 4.1Å; D68-R84 WeakPolarHBondContact OD1-CD 3.34Å; D68-R84 IonicContact OD1-CZ 3.68Å; D68-R84 IonicContact OD1-NH1 3.81Å; D68-R84 PolarHBondContact OD1-NH1 2.92Å; L75-R84 HydrophobicContact CD1-CG 3.97Å; L75-R84 HydrophobicContact CD2-CG 4.42Å; R84-A88 VanDerWaalsContact O-CB 3.29Å; R84-A88 WeakPolarHBondContact O-CB 3.29Å; R84-A88 PolarHBondContact O-N 2.97Å
85	A	98.4	Very high	97.7	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-64.4	-44.8	176.7	0	0	0	0	0	111.7	I58 D60 N83 T89 F103	I58-A85 HydrophobicContact CB-CB 3.96Å; I58-A85 HydrophobicContact CG2-CB 3.59Å; D60-A85 HydrophobicContact CB-CB 3.62Å; N83-A85 WeakPolarHBondContact OD1-CA 3.44Å; N83-A85 WeakPolarHBondContact OD1-CB 3.45Å; N83-A85 PolarHBondContact OD1-N 2.94Å; A85-T89 VanDerWaalsContact O-CB 3.3Å; A85-T89 WeakPolarHBondContact O-CB 3.45Å; A85-T89 PolarHBondContact O-N 2.62Å; A85-T89 PolarHBondContact O-OG1 2.85Å; A85-F103 HydrophobicContact CB-CB 3.86Å
86	Q	98.5	Very high	97.7	Very high	52 Å²	52	50.3 Å²	50.3	24%	0.243	27%	0.267	C	S	.	.	H	α-helix	trans	-58.9	-55.5	176.5	-178.4	-175.6	36	0	0	111	N83 A88 T89 E90 F103	N83-Q86 HydrophobicContact CB-CB 4.2Å; N83-Q86 PolarHBondContact OD1-N 2.9Å; Q86-A88 PolarHBondContact O-N 3.19Å; Q86-T89 PolarHBondContact O-N 3.42Å; Q86-E90 WeakPolarHBondContact O-CG 3.16Å; Q86-E90 PolarHBondContact O-N 2.76Å; Q86-E90 VanDerWaalsContact O-N 3.14Å; Q86-F103 HydrophobicContact CB-CD2 3.93Å; Q86-F103 HydrophobicContact CB-CE1 4.31Å; Q86-F103 HydrophobicContact CB-CE2 3.7Å; Q86-F103 HydrophobicContact CB-CG 4.34Å; Q86-F103 HydrophobicContact CB-CZ 3.91Å; Q86-F103 HydrophobicContact CG-CE1 3.97Å; Q86-F103 HydrophobicContact CG-CE2 3.9Å; Q86-F103 HydrophobicContact CG-CZ 3.59Å
87	A	98.3	Very high	97.7	Very high	1 Å²	1	54 Å²	54	1%	0.008	29%	0.287	C	S	.	.	H	α-helix	trans	-61.7	-41.6	-175.5	0	0	0	0	0	112.7	V64 L75 N83	V64-A87 HydrophobicContact CG2-CB 4.17Å; L75-A87 HydrophobicContact CD2-CB 3.71Å; N83-A87 WeakPolarHBondContact O-CB 3.34Å; N83-A87 PolarHBondContact O-N 3.39Å; N83-A87 VanDerWaalsContact O-N 3.1Å
88	A	98.4	Very high	97.6	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-67.2	-39.7	177.2	0	0	0	0	0	112.2	T42 I58 L75 R84 Q86 E90 L91 L92	T42-A88 HydrophobicContact CG2-CB 3.97Å; I58-A88 HydrophobicContact CD1-CB 4.09Å; L75-A88 HydrophobicContact CD2-CB 4.28Å; R84-A88 VanDerWaalsContact O-CB 3.29Å; R84-A88 WeakPolarHBondContact O-CB 3.29Å; R84-A88 PolarHBondContact O-N 2.97Å; Q86-A88 PolarHBondContact O-N 3.19Å; A88-E90 VanDerWaalsContact C-N 3.33Å; A88-E90 PolarHBondContact O-N 3.09Å; A88-L91 PolarHBondContact O-N 3.35Å; A88-L92 WeakPolarHBondContact O-CB 3.15Å; A88-L92 WeakPolarHBondContact O-CG 3.01Å; A88-L92 PolarHBondContact O-N 3.22Å
89	T	98.6	Very high	97.7	Very high	9 Å²	9	44.4 Å²	44.4	6%	0.055	24%	0.237	C	C	.	.	H	α-helix	trans	-61.7	-41.6	179.1	-60.6	0	0	0	0	111.5	F56 I58 A85 Q86 L91 L92 Q93 F103	F56-T89 HydrophobicContact CE2-CG2 3.93Å; F56-T89 HydrophobicContact CZ-CG2 4.19Å; I58-T89 WeakPolarHBondContact CD1-OG1 3.44Å; A85-T89 VanDerWaalsContact O-CB 3.3Å; A85-T89 WeakPolarHBondContact O-CB 3.45Å; A85-T89 PolarHBondContact O-N 2.62Å; A85-T89 PolarHBondContact O-OG1 2.85Å; Q86-T89 PolarHBondContact O-N 3.42Å; T89-L91 PolarHBondContact O-N 2.74Å; T89-L92 PolarHBondContact O-N 3.19Å; T89-Q93 WeakPolarHBondContact O-CB 3.47Å; T89-Q93 PolarHBondContact O-N 2.74Å; T89-F103 HydrophobicContact CG2-CD1 4.11Å
90	E	97.8	Very high	97.8	Very high	82 Å²	82	47.1 Å²	47.1	38%	0.383	26%	0.256	S	S	.	.	H	α-helix	trans	-54.9	-50.4	178.4	-72.8	170.5	-176.8	0	0	111.8	R82 Q86 A88	R82-E90 IonicContact CZ-OE1 3.58Å; R82-E90 IonicContact CZ-OE2 2.71Å; R82-E90 IonicContact NH1-OE1 4Å; R82-E90 IonicContact NH1-OE2 3.25Å; R82-E90 PolarHBondContact NH1-OE2 3.46Å; R82-E90 VanDerWaalsContact NH2-CD 3.28Å; R82-E90 IonicContact NH2-OE1 2.68Å; R82-E90 PolarHBondContact NH2-OE1 2.76Å; R82-E90 IonicContact NH2-OE2 3.42Å; R82-E90 PolarHBondContact NH2-OE2 3.45Å; R82-E90 VanDerWaalsContact NH2-OE2 3.09Å; Q86-E90 WeakPolarHBondContact O-CG 3.16Å; Q86-E90 PolarHBondContact O-N 2.76Å; Q86-E90 VanDerWaalsContact O-N 3.14Å; A88-E90 VanDerWaalsContact C-N 3.33Å; A88-E90 PolarHBondContact O-N 3.09Å
91	L	97.8	Very high	97.8	Very high	54 Å²	54	43.5 Å²	43.5	28%	0.283	24%	0.24	S	C	.	.	H	α-helix	trans	-77.3	-34.9	-177.5	-66.6	178.9	0	0	0	113.1	F74 A88 T89 Q93 E94	F74-L91 VanDerWaalsContact C-CD1 3.47Å; F74-L91 HydrophobicContact CB-CB 4.31Å; F74-L91 HydrophobicContact CD1-CB 4.09Å; F74-L91 WeakPolarHBondContact O-CD1 3.39Å; A88-L91 PolarHBondContact O-N 3.35Å; T89-L91 PolarHBondContact O-N 2.74Å; L91-Q93 VanDerWaalsContact C-N 3.3Å; L91-Q93 PolarHBondContact O-N 3.11Å; L91-E94 WeakPolarHBondContact CD2-OE1 3.39Å; L91-E94 WeakPolarHBondContact O-CB 3.42Å; L91-E94 PolarHBondContact O-N 3.11Å
92	L	98.3	Very high	97.9	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-65.8	-35.2	175.7	-77.3	165.9	0	0	0	111.8	T42 L45 K46 F56 I58 F74 A88 T89 E94 L95	T42-L92 HydrophobicContact CG2-CD1 4.32Å; L45-L92 HydrophobicContact CB-CD1 4.07Å; L45-L92 HydrophobicContact CB-CD2 4.46Å; L45-L92 HydrophobicContact CD2-CD1 3.59Å; L45-L92 HydrophobicContact CG-CD1 4.15Å; K46-L92 HydrophobicContact CB-CD2 4.23Å; F56-L92 HydrophobicContact CZ-CB 4.08Å; I58-L92 HydrophobicContact CD1-CD1 3.96Å; F74-L92 HydrophobicContact CB-CG 4.37Å; F74-L92 HydrophobicContact CD1-CD2 3.65Å; F74-L92 HydrophobicContact CD1-CG 3.82Å; F74-L92 HydrophobicContact CD2-CD2 4.1Å; F74-L92 HydrophobicContact CE1-CD2 3.65Å; F74-L92 HydrophobicContact CE1-CG 4.28Å; F74-L92 HydrophobicContact CE2-CD2 4.08Å; F74-L92 HydrophobicContact CG-CD2 3.89Å; F74-L92 HydrophobicContact CG-CG 4.01Å; F74-L92 HydrophobicContact CZ-CD2 3.86Å; A88-L92 WeakPolarHBondContact O-CB 3.15Å; A88-L92 WeakPolarHBondContact O-CG 3.01Å; A88-L92 PolarHBondContact O-N 3.22Å; T89-L92 PolarHBondContact O-N 3.19Å; L92-E94 PolarHBondContact O-N 2.91Å; L92-L95 HydrophobicContact CD2-CD1 3.93Å; L92-L95 VanDerWaalsContact O-CB 3.32Å; L92-L95 WeakPolarHBondContact O-CB 3.36Å; L92-L95 WeakPolarHBondContact O-CG 3.47Å; L92-L95 PolarHBondContact O-N 2.84Å; L92-L95 VanDerWaalsContact O-N 3.14Å
93	Q	97.2	Very high	97.9	Very high	59 Å²	59	44.2 Å²	44.2	28%	0.276	23%	0.233	S	C	.	.	H	α-helix	trans	-63	-27.4	178.4	-175.3	62.3	77.2	0	0	112.9	T89 L91 L95 N96 V99 G101	T89-Q93 WeakPolarHBondContact O-CB 3.47Å; T89-Q93 PolarHBondContact O-N 2.74Å; L91-Q93 VanDerWaalsContact C-N 3.3Å; L91-Q93 PolarHBondContact O-N 3.11Å; Q93-L95 PolarHBondContact O-N 3.46Å; Q93-N96 PolarHBondContact NE2-O 2.91Å; Q93-V99 PolarHBondContact NE2-O 2.92Å; Q93-V99 PolarHBondContact OE1-O 3.42Å; Q93-G101 VanDerWaalsContact OE1-CA 3.3Å
94	E	97.9	Very high	97.9	Very high	145 Å²	145	44.8 Å²	44.8	68%	0.678	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-24.6	176.7	-63	-176.4	-144.6	0	0	113	L91 L92 N96	L91-E94 WeakPolarHBondContact CD2-OE1 3.39Å; L91-E94 WeakPolarHBondContact O-CB 3.42Å; L91-E94 PolarHBondContact O-N 3.11Å; L92-E94 PolarHBondContact O-N 2.91Å; E94-N96 VanDerWaalsContact C-N 3.27Å; E94-N96 PolarHBondContact O-N 3.34Å
95	L	97.9	Very high	97.9	Very high	58 Å²	58	48.7 Å²	48.7	30%	0.304	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-32.9	-178.1	-64.1	178.6	0	0	0	112.6	K46 V49 L50 F74 L92 Q93	K46-L95 HydrophobicContact CB-CD1 4.1Å; K46-L95 HydrophobicContact CG-CD1 3.81Å; V49-L95 HydrophobicContact CB-CD1 4.44Å; V49-L95 HydrophobicContact CG1-CB 3.79Å; V49-L95 HydrophobicContact CG1-CD1 4.37Å; L50-L95 HydrophobicContact CD2-CB 4.26Å; L50-L95 HydrophobicContact CG-CD1 4.5Å; F74-L95 HydrophobicContact CE1-CD1 3.7Å; F74-L95 HydrophobicContact CE1-CD2 4.09Å; F74-L95 HydrophobicContact CE1-CG 4.03Å; F74-L95 HydrophobicContact CZ-CD1 3.86Å; F74-L95 HydrophobicContact CZ-CD2 4.49Å; L92-L95 HydrophobicContact CD2-CD1 3.93Å; L92-L95 VanDerWaalsContact O-CB 3.32Å; L92-L95 WeakPolarHBondContact O-CB 3.36Å; L92-L95 WeakPolarHBondContact O-CG 3.47Å; L92-L95 PolarHBondContact O-N 2.84Å; L92-L95 VanDerWaalsContact O-N 3.14Å; Q93-L95 PolarHBondContact O-N 3.46Å
96	N	97.4	Very high	97.8	Very high	3 Å²	3	52.2 Å²	52.2	2%	0.016	27%	0.273	C	S	.	.			trans	-156.3	112.3	-175.9	-170	-8.2	0	0	0	112.5	K11 Y12 V49 G52 Q93 E94 D98 V99	K11-N96 VanDerWaalsContact NZ-CG 3.29Å; K11-N96 PolarHBondContact NZ-OD1 2.98Å; Y12-N96 PolarHBondContact OH-ND2 3.02Å; V49-N96 HydrophobicContact CG1-CB 3.67Å; V49-N96 WeakPolarHBondContact O-CB 3.4Å; V49-N96 PolarHBondContact O-ND2 3.18Å; G52-N96 WeakPolarHBondContact CA-ND2 3.39Å; Q93-N96 PolarHBondContact NE2-O 2.91Å; E94-N96 VanDerWaalsContact C-N 3.27Å; E94-N96 PolarHBondContact O-N 3.34Å; N96-D98 PolarHBondContact O-N 2.66Å; N96-D98 WeakPolarHBondContact OD1-CB 3.44Å; N96-D98 PolarHBondContact OD1-N 3.32Å; N96-D98 PolarHBondContact OD1-OD2 3.18Å; N96-V99 HydrophobicContact CB-CB 4.48Å; N96-V99 HydrophobicContact CB-CG2 3.81Å; N96-V99 WeakPolarHBondContact ND2-CG2 3.27Å; N96-V99 PolarHBondContact O-N 3.45Å
97	T	95.2	Very high	97.6	Very high	125 Å²	125	50.9 Å²	50.9	77%	0.767	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-13.5	178.1	56.5	0	0	0	0	114.4	V99	T97-V99 VanDerWaalsContact C-N 3.31Å
98	D	95.9	Very high	97.5	Very high	68 Å²	68	50.9 Å²	50.9	36%	0.364	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-8.6	177.9	-58.5	-53.8	0	0	0	112.6	K11 N96	K11-D98 IonicContact NZ-OD2 3.82Å; K11-D98 PolarHBondContact NZ-OD2 3.1Å; N96-D98 PolarHBondContact O-N 2.66Å; N96-D98 WeakPolarHBondContact OD1-CB 3.44Å; N96-D98 PolarHBondContact OD1-N 3.32Å; N96-D98 PolarHBondContact OD1-OD2 3.18Å
99	V	98.1	Very high	97.4	Very high	5 Å²	5	53.8 Å²	53.8	3%	0.03	28%	0.283	C	S	.	.	S	Bend	trans	-102.9	140.7	-176.2	179	0	0	0	0	110.1	V49 I53 F56 Q93 N96 T97	V49-V99 HydrophobicContact CG1-CB 4.29Å; V49-V99 HydrophobicContact CG1-CG1 4.41Å; V49-V99 HydrophobicContact CG1-CG2 4.1Å; V49-V99 HydrophobicContact CG2-CG1 4.3Å; I53-V99 HydrophobicContact CG2-CG1 3.9Å; I53-V99 VanDerWaalsContact O-CG1 3.25Å; I53-V99 WeakPolarHBondContact O-CG1 3.32Å; I53-V99 WeakPolarHBondContact O-CG2 3.5Å; F56-V99 HydrophobicContact CD1-CG1 3.62Å; F56-V99 HydrophobicContact CE1-CG1 3.83Å; Q93-V99 PolarHBondContact NE2-O 2.92Å; Q93-V99 PolarHBondContact OE1-O 3.42Å; N96-V99 HydrophobicContact CB-CB 4.48Å; N96-V99 HydrophobicContact CB-CG2 3.81Å; N96-V99 WeakPolarHBondContact ND2-CG2 3.27Å; N96-V99 PolarHBondContact O-N 3.45Å; T97-V99 VanDerWaalsContact C-N 3.31Å
100	S	98.4	Very high	97.3	Very high	61 Å²	61	59.1 Å²	59.1	43%	0.427	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	109.9	173.9	-173.4	0	0	0	0	112.3	G54 A55 F56	G54-S100 PolarHBondContact O-N 3.45Å; A55-S100 CarbonylContact C-O 3.02Å; A55-S100 WeakPolarHBondContact CA-O 3.29Å; A55-S100 WeakPolarHBondContact CB-O 3.33Å; F56-S100 PolarHBondContact N-O 3.22Å
101	G	98.4	Very high	97.2	Very high	14 Å²	14	55.7 Å²	55.7	14%	0.144	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	132.7	175.2	0	0	0	0	0	112.8	F56 Q93	F56-G101 VanDerWaalsContact CE1-CA 3.47Å; Q93-G101 VanDerWaalsContact OE1-CA 3.3Å
102	N	98.5	Very high	97.1	Very high	77 Å²	77	53.4 Å²	53.4	41%	0.412	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	165.5	174.3	-64.3	-84.1	0	0	0	110.4	F56 T57 I58	F56-N102 PolarHBondContact O-N 3.08Å; T57-N102 CarbonylContact C-O 3.52Å; T57-N102 VanDerWaalsContact CA-O 3.26Å; T57-N102 WeakPolarHBondContact CA-O 3.46Å; T57-N102 HydrophobicContact CG2-CB 4.39Å; I58-N102 PolarHBondContact N-O 3.08Å
103	F	98.6	Very high	97	Very high	79 Å²	79	58.2 Å²	58.2	35%	0.346	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	160.1	176.6	62	-89.1	0	0	0	112.8	I58 A85 Q86 T89 E105	I58-F103 HydrophobicContact CB-CB 4.49Å; I58-F103 CarbonylContact O-C 3.58Å; I58-F103 VanDerWaalsContact O-CA 3.23Å; I58-F103 WeakPolarHBondContact O-CA 3.43Å; A85-F103 HydrophobicContact CB-CB 3.86Å; Q86-F103 HydrophobicContact CB-CD2 3.93Å; Q86-F103 HydrophobicContact CB-CE1 4.31Å; Q86-F103 HydrophobicContact CB-CE2 3.7Å; Q86-F103 HydrophobicContact CB-CG 4.34Å; Q86-F103 HydrophobicContact CB-CZ 3.91Å; Q86-F103 HydrophobicContact CG-CE1 3.97Å; Q86-F103 HydrophobicContact CG-CE2 3.9Å; Q86-F103 HydrophobicContact CG-CZ 3.59Å; T89-F103 HydrophobicContact CG2-CD1 4.11Å; F103-E105 HydrophobicContact CD2-CG 3.87Å; F103-E105 HydrophobicContact CE2-CG 3.88Å; F103-E105 WeakPolarHBondContact CE2-OE1 3.39Å
104	V	98.4	Very high	96.9	Very high	29 Å²	29	61.3 Å²	61.3	18%	0.176	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	122.5	173.9	-179.3	0	0	0	0	108.6	T57 I58 V59 D60 E106 L111 F118	T57-V104 HydrophobicContact CG2-CG2 4.11Å; I58-V104 PolarHBondContact O-N 3.2Å; V59-V104 HydrophobicContact CG2-CB 4.36Å; D60-V104 PolarHBondContact N-O 3.24Å; D60-V104 VanDerWaalsContact N-O 3.13Å; V104-E106 HydrophobicContact CG1-CB 4Å; V104-E106 HydrophobicContact CG1-CG 4.21Å; V104-E106 PolarHBondContact O-N 2.8Å; V104-L111 HydrophobicContact CG1-CD1 4.25Å; V104-L111 HydrophobicContact CG1-CD2 4.31Å; V104-F118 HydrophobicContact CG2-CE2 3.89Å; V104-F118 HydrophobicContact CG2-CZ 3.76Å
105	E	97.5	Very high	96.8	Very high	102 Å²	102	58 Å²	58	48%	0.477	31%	0.309	S	S	.	.			trans	-84.3	38.4	-177	-53.2	-171.2	175.6	0	0	112.6	N83 F103	N83-E105 HydrophobicContact CB-CG 4.1Å; F103-E105 HydrophobicContact CD2-CG 3.87Å; F103-E105 HydrophobicContact CE2-CG 3.88Å; F103-E105 WeakPolarHBondContact CE2-OE1 3.39Å
106	E	96.1	Very high	96.6	Very high	73 Å²	73	57.7 Å²	57.7	34%	0.341	31%	0.31	S	S	.	.	S	Bend	trans	-123.7	154.1	179.4	-66.1	-168	-135.8	0	0	111	V59 D60 G61 V104 L111	V59-E106 WeakPolarHBondContact CG1-O 3.43Å; D60-E106 CarbonylContact C-O 3.47Å; G61-E106 PolarHBondContact N-O 3.41Å; V104-E106 HydrophobicContact CG1-CB 4Å; V104-E106 HydrophobicContact CG1-CG 4.21Å; V104-E106 PolarHBondContact O-N 2.8Å; E106-L111 HydrophobicContact CB-CD2 4.23Å; E106-L111 HydrophobicContact CB-CG 4.13Å
107	S	95.9	Very high	96.5	Very high	24 Å²	24	63.9 Å²	63.9	17%	0.168	34%	0.339	C	S	.	.			trans	-76.7	151.6	172.7	88.8	0	0	0	0	110.1	E109 K110 L111	S107-E109 WeakPolarHBondContact CB-OE2 3.3Å; S107-E109 PolarHBondContact O-N 3.5Å; S107-E109 PolarHBondContact OG-OE2 3.47Å; S107-K110 PolarHBondContact O-N 2.95Å; S107-K110 VanDerWaalsContact O-N 3.15Å; S107-K110 PolarHBondContact OG-N 3.39Å; S107-L111 PolarHBondContact O-N 2.85Å
108	P	95.4	Very high	96.6	Very high	2 Å²	2	58.9 Å²	58.9	1%	0.013	31%	0.307	C	S	.	.	H	α-helix	trans	-57.5	-32.5	177	23.6	-34.6	0	0	0	112.6	I35 L111 L112 L130 T134	I35-P108 HydrophobicContact CD1-CB 4.4Å; I35-P108 HydrophobicContact CG2-CB 3.86Å; I35-P108 HydrophobicContact CG2-CG 3.72Å; P108-L111 PolarHBondContact O-N 3.4Å; P108-L112 WeakPolarHBondContact O-CB 3.41Å; P108-L112 WeakPolarHBondContact O-CD1 3.41Å; P108-L112 WeakPolarHBondContact O-CG 3.44Å; P108-L112 PolarHBondContact O-N 3.22Å; P108-L130 HydrophobicContact CG-CD2 4.02Å; P108-T134 HydrophobicContact CB-CG2 4.1Å; P108-T134 HydrophobicContact CG-CG2 3.87Å
109	E	96.3	Very high	96.7	Very high	61 Å²	61	55.6 Å²	55.6	29%	0.285	29%	0.289	S	S	.	.	H	α-helix	trans	-63.5	-45.1	177.1	-57.7	76.6	-167.9	0	0	111.9	S107 L111 L112 D113 T134	S107-E109 WeakPolarHBondContact CB-OE2 3.3Å; S107-E109 PolarHBondContact O-N 3.5Å; S107-E109 PolarHBondContact OG-OE2 3.47Å; E109-L111 PolarHBondContact O-N 3.13Å; E109-L112 PolarHBondContact O-N 3.38Å; E109-D113 VanDerWaalsContact O-CG 3.26Å; E109-D113 PolarHBondContact O-N 3.43Å; E109-T134 HydrophobicContact CG-CG2 4.23Å; E109-T134 WeakPolarHBondContact OE1-CB 3.19Å; E109-T134 VanDerWaalsContact OE1-CG2 3.27Å; E109-T134 WeakPolarHBondContact OE1-CG2 3.35Å; E109-T134 PolarHBondContact OE1-OG1 3.31Å
110	K	96.2	Very high	96.7	Very high	120 Å²	120	59 Å²	59	52%	0.522	31%	0.305	S	S	.	.	H	α-helix	trans	-63.6	-41.5	177.7	-73.1	-177.2	177.5	178.7	0	111.8	S107 D113 N114	S107-K110 PolarHBondContact O-N 2.95Å; S107-K110 VanDerWaalsContact O-N 3.15Å; S107-K110 PolarHBondContact OG-N 3.39Å; K110-D113 PolarHBondContact O-N 3.04Å; K110-N114 WeakPolarHBondContact O-CB 3.41Å; K110-N114 VanDerWaalsContact O-CG 3.3Å; K110-N114 PolarHBondContact O-N 3.49Å; K110-N114 PolarHBondContact O-ND2 2.79Å
111	L	95.8	Very high	96.6	Very high	10 Å²	10	62.8 Å²	62.8	5%	0.052	31%	0.309	C	S	.	.	H	α-helix	trans	-63.9	-42.8	174.8	-69.5	179.3	0	0	0	111.1	V59 V104 E106 S107 P108 E109 D113 N114 D115 F118 F119	V59-L111 HydrophobicContact CB-CD1 4.41Å; V59-L111 HydrophobicContact CG1-CD1 3.51Å; V59-L111 HydrophobicContact CG2-CD1 3.95Å; V104-L111 HydrophobicContact CG1-CD1 4.25Å; V104-L111 HydrophobicContact CG1-CD2 4.31Å; E106-L111 HydrophobicContact CB-CD2 4.23Å; E106-L111 HydrophobicContact CB-CG 4.13Å; S107-L111 PolarHBondContact O-N 2.85Å; P108-L111 PolarHBondContact O-N 3.4Å; E109-L111 PolarHBondContact O-N 3.13Å; L111-D113 PolarHBondContact O-N 2.84Å; L111-N114 PolarHBondContact O-N 3.3Å; L111-D115 CarbonylContact O-C 3.46Å; L111-D115 WeakPolarHBondContact O-CA 3.41Å; L111-D115 PolarHBondContact O-N 2.65Å; L111-D115 VanDerWaalsContact O-O 3.08Å; L111-F118 HydrophobicContact CD1-CD1 4.12Å; L111-F118 HydrophobicContact CD1-CD2 4.45Å; L111-F118 HydrophobicContact CD1-CE1 3.93Å; L111-F118 HydrophobicContact CD1-CE2 4.16Å; L111-F118 HydrophobicContact CD1-CG 4.42Å; L111-F118 HydrophobicContact CD1-CZ 3.95Å; L111-F118 HydrophobicContact CD2-CD2 4.3Å; L111-F118 HydrophobicContact CD2-CE2 4.37Å; L111-F119 HydrophobicContact CB-CE2 4.23Å; L111-F119 HydrophobicContact CB-CZ 4.25Å; L111-F119 HydrophobicContact CD1-CZ 4.19Å
112	L	95.7	Very high	96.6	Very high	7 Å²	7	62.3 Å²	62.3	4%	0.037	30%	0.303	C	S	.	.	H	α-helix	trans	-64.7	-26.9	176.1	-71.5	166.6	0	0	0	113.4	P108 E109 F119 R137 L138 V141	P108-L112 WeakPolarHBondContact O-CB 3.41Å; P108-L112 WeakPolarHBondContact O-CD1 3.41Å; P108-L112 WeakPolarHBondContact O-CG 3.44Å; P108-L112 PolarHBondContact O-N 3.22Å; E109-L112 PolarHBondContact O-N 3.38Å; L112-F119 HydrophobicContact CD2-CD2 4.3Å; L112-F119 HydrophobicContact CD2-CE2 3.96Å; L112-F119 HydrophobicContact CG-CE2 4.13Å; L112-R137 HydrophobicContact CD1-CB 4.46Å; L112-R137 HydrophobicContact CD1-CG 4.13Å; L112-R137 PolarHBondContact O-NH2 2.84Å; L112-L138 HydrophobicContact CD1-CB 4.13Å; L112-L138 HydrophobicContact CD2-CD1 3.96Å; L112-V141 HydrophobicContact CD2-CB 4.47Å; L112-V141 HydrophobicContact CD2-CG2 4.01Å
113	D	95.7	Very high	96.6	Very high	101 Å²	101	61.3 Å²	61.3	54%	0.54	30%	0.3	S	S	.	.	H	α-helix	trans	-77	-41.7	175	-70.2	-25.3	0	0	0	111.9	E109 K110 L111 R137	E109-D113 VanDerWaalsContact O-CG 3.26Å; E109-D113 PolarHBondContact O-N 3.43Å; K110-D113 PolarHBondContact O-N 3.04Å; L111-D113 PolarHBondContact O-N 2.84Å; D113-R137 IonicContact OD1-CZ 3.14Å; D113-R137 IonicContact OD1-NH1 2.69Å; D113-R137 PolarHBondContact OD1-NH1 2.77Å; D113-R137 IonicContact OD1-NH2 2.74Å; D113-R137 PolarHBondContact OD1-NH2 3.3Å
114	N	95.8	Very high	96.6	Very high	124 Å²	124	57.6 Å²	57.6	66%	0.663	28%	0.284	S	S	*	.	H	α-helix	trans	-93.7	-42	-170.5	-64.6	-29.9	0	0	0	113.6	K110 L111	K110-N114 WeakPolarHBondContact O-CB 3.41Å; K110-N114 VanDerWaalsContact O-CG 3.3Å; K110-N114 PolarHBondContact O-N 3.49Å; K110-N114 PolarHBondContact O-ND2 2.79Å; L111-N114 PolarHBondContact O-N 3.3Å
115	D	95.6	Very high	96.6	Very high	76 Å²	76	56.2 Å²	56.2	41%	0.406	28%	0.276	S	S	.	.			trans	-150.7	78.6	-174.7	-178.2	12.6	0	0	0	110.8	L111 E117 F118	L111-D115 CarbonylContact O-C 3.46Å; L111-D115 WeakPolarHBondContact O-CA 3.41Å; L111-D115 PolarHBondContact O-N 2.65Å; L111-D115 VanDerWaalsContact O-O 3.08Å; D115-E117 PolarHBondContact O-N 3.49Å; D115-E117 PolarHBondContact OD1-N 3.13Å; D115-F118 HydrophobicContact CB-CB 4.45Å; D115-F118 WeakPolarHBondContact O-CB 3.48Å; D115-F118 PolarHBondContact O-N 3.3Å; D115-F118 PolarHBondContact OD1-N 3.08Å
116	P	92.9	Very high	96.7	Very high	51 Å²	51	51.4 Å²	51.4	33%	0.331	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-64.8	-23.6	178.4	26.5	-34.3	0	0	0	112.9	F118 V141	P116-F118 PolarHBondContact O-N 3.48Å; P116-V141 HydrophobicContact CB-CG1 4.32Å; P116-V141 HydrophobicContact CB-CG2 4.49Å
117	E	95.9	Very high	96.8	Very high	133 Å²	133	47.9 Å²	47.9	62%	0.621	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-74.9	-13.5	179.4	-57.8	-168.2	160.5	0	0	112.7	D115 F119 H120	D115-E117 PolarHBondContact O-N 3.49Å; D115-E117 PolarHBondContact OD1-N 3.13Å; E117-F119 PolarHBondContact O-N 2.9Å; E117-H120 VanDerWaalsContact O-CB 3.31Å; E117-H120 WeakPolarHBondContact O-CB 3.43Å; E117-H120 PolarHBondContact O-N 3.33Å
118	F	97.6	Very high	96.9	Very high	19 Å²	19	46.8 Å²	46.8	8%	0.083	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-43	-38.5	171.3	173.8	-83.8	0	0	0	112.9	V59 V104 L111 D115 P116 R121 F122	V59-F118 HydrophobicContact CG2-CE1 3.75Å; V59-F118 HydrophobicContact CG2-CZ 3.85Å; V104-F118 HydrophobicContact CG2-CE2 3.89Å; V104-F118 HydrophobicContact CG2-CZ 3.76Å; L111-F118 HydrophobicContact CD1-CD1 4.12Å; L111-F118 HydrophobicContact CD1-CD2 4.45Å; L111-F118 HydrophobicContact CD1-CE1 3.93Å; L111-F118 HydrophobicContact CD1-CE2 4.16Å; L111-F118 HydrophobicContact CD1-CG 4.42Å; L111-F118 HydrophobicContact CD1-CZ 3.95Å; L111-F118 HydrophobicContact CD2-CD2 4.3Å; L111-F118 HydrophobicContact CD2-CE2 4.37Å; D115-F118 HydrophobicContact CB-CB 4.45Å; D115-F118 WeakPolarHBondContact O-CB 3.48Å; D115-F118 PolarHBondContact O-N 3.3Å; D115-F118 PolarHBondContact OD1-N 3.08Å; P116-F118 PolarHBondContact O-N 3.48Å; F118-R121 WeakPolarHBondContact O-CG 3.41Å; F118-R121 PolarHBondContact O-NE 3.23Å; F118-F122 AromaticContact CD1-CE2 3.84Å; F118-F122 HydrophobicContact CD1-CE2 3.84Å; F118-F122 HydrophobicContact CD1-CZ 4.43Å; F118-F122 AromaticContact CE1-CE2 3.54Å; F118-F122 HydrophobicContact CE1-CE2 3.54Å; F118-F122 AromaticContact CE1-CZ 3.76Å; F118-F122 HydrophobicContact CE1-CZ 3.76Å; F118-F122 HydrophobicContact CZ-CE2 4.36Å; F118-F122 HydrophobicContact CZ-CZ 4.16Å; F118-F122 WeakPolarHBondContact O-CE2 3.37Å
119	F	97.8	Very high	97.1	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-82.9	-10.8	-175.8	-59.4	-78.9	0	0	0	114.3	I35 L111 L112 E117 R121 F122 V125 L138 L142	I35-F119 HydrophobicContact CD1-CE1 3.89Å; I35-F119 HydrophobicContact CD1-CZ 4.37Å; I35-F119 HydrophobicContact CG1-CE1 4.38Å; L111-F119 HydrophobicContact CB-CE2 4.23Å; L111-F119 HydrophobicContact CB-CZ 4.25Å; L111-F119 HydrophobicContact CD1-CZ 4.19Å; L112-F119 HydrophobicContact CD2-CD2 4.3Å; L112-F119 HydrophobicContact CD2-CE2 3.96Å; L112-F119 HydrophobicContact CG-CE2 4.13Å; E117-F119 PolarHBondContact O-N 2.9Å; F119-R121 PolarHBondContact O-N 2.99Å; F119-F122 HydrophobicContact CB-CD2 4.48Å; F119-F122 HydrophobicContact CD1-CD2 4.49Å; F119-F122 HydrophobicContact CD1-CE2 4.3Å; F119-F122 WeakPolarHBondContact O-CD2 3.38Å; F119-F122 PolarHBondContact O-N 3.12Å; F119-V125 HydrophobicContact CB-CG2 4.33Å; F119-V125 HydrophobicContact CD1-CG1 4.36Å; F119-V125 HydrophobicContact CD1-CG2 4.33Å; F119-L138 HydrophobicContact CD1-CD1 4.3Å; F119-L138 HydrophobicContact CD2-CD1 3.76Å; F119-L138 HydrophobicContact CE1-CD1 4.37Å; F119-L138 HydrophobicContact CE2-CD1 3.83Å; F119-L138 HydrophobicContact CG-CD1 4.01Å; F119-L138 HydrophobicContact CZ-CD1 4.14Å; F119-L142 HydrophobicContact CB-CD2 3.54Å; F119-L142 HydrophobicContact CG-CD2 4.37Å
120	H	97.5	Very high	97.1	Very high	76 Å²	76	45.9 Å²	45.9	35%	0.352	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-70.4	-18.2	-178	-62.2	173.9	0	0	0	113.5	E117 F122 A145	E117-H120 VanDerWaalsContact O-CB 3.31Å; E117-H120 WeakPolarHBondContact O-CB 3.43Å; E117-H120 PolarHBondContact O-N 3.33Å; H120-F122 VanDerWaalsContact C-N 3.33Å; H120-A145 WeakPolarHBondContact CD2-CB 3.43Å; H120-A145 WeakPolarHBondContact NE2-CB 3.42Å
121	R	96.7	Very high	97.1	Very high	140 Å²	140	41.3 Å²	41.3	53%	0.528	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-81.7	-8.3	-178	69	-168.3	162.5	162.6	1.9	114.9	F118 F119	F118-R121 WeakPolarHBondContact O-CG 3.41Å; F118-R121 PolarHBondContact O-NE 3.23Å; F119-R121 PolarHBondContact O-N 2.99Å
122	F	98.6	Very high	97.1	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.018	21%	0.212	C	C	.	.			trans	-95.2	143.1	-175.7	-56.8	-71	0	0	0	111.2	H31 C33 T57 F118 F119 H120 L124 V125	H31-F122 AromaticContact CD2-CD1 3.77Å; H31-F122 AromaticContact CD2-CE1 3.89Å; H31-F122 AromaticContact CE1-CE1 3.77Å; H31-F122 AromaticContact CG-CD1 3.92Å; H31-F122 AromaticContact NE2-CD1 3.93Å; H31-F122 AromaticContact NE2-CE1 3.55Å; H31-F122 CarbonylContact O-C 3.51Å; H31-F122 VanDerWaalsContact O-CA 3.32Å; H31-F122 WeakPolarHBondContact O-CA 3.41Å; H31-F122 WeakPolarHBondContact O-CB 3.35Å; C33-F122 HydrophobicContact CB-CB 4.19Å; C33-F122 HydrophobicContact CB-CD1 3.7Å; C33-F122 HydrophobicContact CB-CD2 3.44Å; C33-F122 VanDerWaalsContact CB-CD2 3.44Å; C33-F122 HydrophobicContact CB-CE1 3.83Å; C33-F122 HydrophobicContact CB-CE2 3.59Å; C33-F122 HydrophobicContact CB-CG 3.49Å; C33-F122 VanDerWaalsContact CB-CG 3.49Å; C33-F122 HydrophobicContact CB-CZ 3.78Å; T57-F122 HydrophobicContact CG2-CZ 4.39Å; F118-F122 AromaticContact CD1-CE2 3.84Å; F118-F122 HydrophobicContact CD1-CE2 3.84Å; F118-F122 HydrophobicContact CD1-CZ 4.43Å; F118-F122 AromaticContact CE1-CE2 3.54Å; F118-F122 HydrophobicContact CE1-CE2 3.54Å; F118-F122 AromaticContact CE1-CZ 3.76Å; F118-F122 HydrophobicContact CE1-CZ 3.76Å; F118-F122 HydrophobicContact CZ-CE2 4.36Å; F118-F122 HydrophobicContact CZ-CZ 4.16Å; F118-F122 WeakPolarHBondContact O-CE2 3.37Å; F119-F122 HydrophobicContact CB-CD2 4.48Å; F119-F122 HydrophobicContact CD1-CD2 4.49Å; F119-F122 HydrophobicContact CD1-CE2 4.3Å; F119-F122 WeakPolarHBondContact O-CD2 3.38Å; F119-F122 PolarHBondContact O-N 3.12Å; H120-F122 VanDerWaalsContact C-N 3.33Å; F122-L124 VanDerWaalsContact C-N 3.26Å; F122-L124 PolarHBondContact O-N 2.81Å; F122-V125 HydrophobicContact CB-CG2 4.24Å; F122-V125 HydrophobicContact CD2-CG2 4.3Å
123	T	98.6	Very high	97	Very high	57 Å²	57	45.6 Å²	45.6	35%	0.35	24%	0.235	S	C	.	.	S	Bend	trans	-64.1	-35.8	172.2	-47.5	0	0	0	0	111.3	A30 H31 P148 I508	A30-T123 WeakPolarHBondContact CA-OG1 3.36Å; A30-T123 HydrophobicContact CB-CG2 4.14Å; H31-T123 PolarHBondContact N-OG1 3.28Å; H31-T123 PolarHBondContact O-N 2.94Å; T123-P148 WeakPolarHBondContact O-CD 3.23Å; T123-I508 HydrophobicContact CG2-CG1 4.15Å
124	L	98.8	Very high	97.1	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	139.4	179.4	164.6	72	0	0	0	109.2	V32 C33 F122 I126 P148 L150 A504	V32-L124 WeakPolarHBondContact CA-O 3.41Å; V32-L124 HydrophobicContact CG2-CB 4.12Å; V32-L124 HydrophobicContact CG2-CD2 4.43Å; C33-L124 PolarHBondContact N-O 3.49Å; F122-L124 VanDerWaalsContact C-N 3.26Å; F122-L124 PolarHBondContact O-N 2.81Å; L124-I126 HydrophobicContact CD2-CD1 4.09Å; L124-I126 HydrophobicContact CD2-CG1 4.01Å; L124-I126 HydrophobicContact CG-CG1 4.01Å; L124-P148 HydrophobicContact CD1-CB 3.7Å; L124-P148 WeakPolarHBondContact CD1-O 3.44Å; L124-L150 HydrophobicContact CD1-CB 4.2Å; L124-A504 HydrophobicContact CD2-CB 3.31Å
125	V	98.9	Very high	97.1	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	133.9	170.4	-177.4	0	0	0	0	109.2	C33 I35 F119 F122 L138 L142 I147 P148 F149 L150	C33-V125 HydrophobicContact CB-CG1 4.32Å; C33-V125 HydrophobicContact CB-CG2 4.19Å; C33-V125 CarbonylContact O-C 3.59Å; I35-V125 HydrophobicContact CD1-CG1 3.85Å; I35-V125 HydrophobicContact CG1-CG1 4.29Å; F119-V125 HydrophobicContact CB-CG2 4.33Å; F119-V125 HydrophobicContact CD1-CG1 4.36Å; F119-V125 HydrophobicContact CD1-CG2 4.33Å; F122-V125 HydrophobicContact CB-CG2 4.24Å; F122-V125 HydrophobicContact CD2-CG2 4.3Å; V125-L138 HydrophobicContact CG1-CD2 4.37Å; V125-L142 HydrophobicContact CB-CD1 3.75Å; V125-L142 HydrophobicContact CG1-CD1 4.01Å; V125-L142 HydrophobicContact CG2-CD1 3.98Å; V125-L142 HydrophobicContact CG2-CD2 3.89Å; V125-I147 HydrophobicContact CG2-CG2 4.02Å; V125-P148 PolarHBondContact N-O 3.31Å; V125-F149 HydrophobicContact CB-CD2 4.14Å; V125-F149 HydrophobicContact CG1-CD2 4.09Å; V125-F149 HydrophobicContact CG1-CE2 4.22Å; V125-F149 WeakPolarHBondContact O-CA 3.37Å; V125-F149 WeakPolarHBondContact O-CD2 3.47Å; V125-L150 PolarHBondContact O-N 3.06Å
126	I	98.9	Very high	97.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	113.4	178.4	-52.7	-179.5	0	0	0	108.3	V32 C33 L34 I35 I44 L48 L124 V128 L150 A504	V32-I126 HydrophobicContact CG1-CD1 3.8Å; V32-I126 HydrophobicContact CG1-CG1 4.08Å; C33-I126 PolarHBondContact O-N 3.09Å; L34-I126 HydrophobicContact CD1-CB 4.21Å; L34-I126 HydrophobicContact CD1-CG2 4.13Å; I35-I126 PolarHBondContact N-O 3.15Å; I44-I126 HydrophobicContact CD1-CG2 3.98Å; I44-I126 HydrophobicContact CG2-CD1 3.78Å; I44-I126 HydrophobicContact CG2-CG2 4.43Å; L48-I126 HydrophobicContact CD1-CD1 3.92Å; L124-I126 HydrophobicContact CD2-CD1 4.09Å; L124-I126 HydrophobicContact CD2-CG1 4.01Å; L124-I126 HydrophobicContact CG-CG1 4.01Å; I126-V128 HydrophobicContact CG2-CG2 4.11Å; I126-L150 CarbonylContact C-O 3.44Å; I126-L150 VanDerWaalsContact CA-O 3.29Å; I126-L150 WeakPolarHBondContact CA-O 3.38Å; I126-L150 HydrophobicContact CG1-CB 4.42Å; I126-A504 HydrophobicContact CD1-CB 4.18Å
127	G	98.7	Very high	97.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	118.1	-179	0	0	0	0	0	111.8	L150 V151 C152	G127-L150 PolarHBondContact N-O 2.89Å; G127-V151 CarbonylContact O-C 3.55Å; G127-V151 WeakPolarHBondContact O-CA 3.37Å; G127-C152 PolarHBondContact O-N 3.33Å
128	V	98.7	Very high	97.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	135.7	-175	-177.5	0	0	0	0	111.5	L34 I35 N36 I44 I126 L130 C152	L34-V128 HydrophobicContact CD1-CG2 3.73Å; I35-V128 WeakPolarHBondContact O-CB 2.99Å; I35-V128 PolarHBondContact O-N 3.03Å; N36-V128 WeakPolarHBondContact CB-O 3.37Å; N36-V128 PolarHBondContact ND2-O 2.91Å; I44-V128 HydrophobicContact CD1-CG2 3.93Å; I126-V128 HydrophobicContact CG2-CG2 4.11Å; V128-L130 PolarHBondContact O-N 3.45Å; V128-L130 VanDerWaalsContact O-N 3.1Å; V128-C152 WeakPolarHBondContact CA-O 3.23Å; V128-C152 HydrophobicContact CG2-CB 4.21Å
129	Q	97.8	Very high	97.6	Very high	38 Å²	38	29.8 Å²	29.8	18%	0.178	15%	0.147	C	C	.	.	S	Bend	trans	51.2	33.5	179.8	-57.6	-54.6	96.6	0	0	114.1	T38 C152 T154	T38-Q129 HydrophobicContact CG2-CB 4.5Å; T38-Q129 HydrophobicContact CG2-CG 4.11Å; Q129-C152 PolarHBondContact N-O 2.81Å; Q129-C152 VanDerWaalsContact N-O 3.14Å; Q129-T154 PolarHBondContact NE2-O 3.39Å; Q129-T154 PolarHBondContact OE1-O 3.25Å
130	L	97	Very high	97.6	Very high	7 Å²	7	32.8 Å²	32.8	4%	0.037	17%	0.168	C	C	.	.			trans	-81	139	-178.2	-71.5	179.1	0	0	0	111.9	I35 P108 V128 T134 C135 L138 F149	I35-L130 HydrophobicContact CG2-CD2 3.82Å; P108-L130 HydrophobicContact CG-CD2 4.02Å; V128-L130 PolarHBondContact O-N 3.45Å; V128-L130 VanDerWaalsContact O-N 3.1Å; L130-T134 HydrophobicContact CD2-CG2 4.11Å; L130-C135 WeakPolarHBondContact CB-SG 3.48Å; L130-L138 HydrophobicContact CD1-CD2 4.35Å; L130-F149 HydrophobicContact CD1-CZ 4.21Å
131	P	95.6	Very high	97.6	Very high	24 Å²	24	30.7 Å²	30.7	16%	0.156	16%	0.161	C	C	.	.			trans	-62.5	152.2	167.6	-20.6	32.7	0	0	0	112	S133 T134 C135 Y435	P131-S133 VanDerWaalsContact C-N 3.28Å; P131-S133 PolarHBondContact O-N 2.99Å; P131-T134 PolarHBondContact O-N 3.48Å; P131-T134 VanDerWaalsContact O-N 3.14Å; P131-C135 PolarHBondContact O-N 3.22Å; P131-Y435 HydrophobicContact CB-CE1 4.45Å
132	E	95.5	Very high	97.7	Very high	30 Å²	30	24.1 Å²	24.1	14%	0.14	14%	0.136	C	C	.	.	H	α-helix	trans	-51.2	-43.8	179.5	173.6	174.2	105.5	0	0	112.8	T134 C135 L136 Y401 R429 D432 Q436	E132-T134 PolarHBondContact O-N 3.23Å; E132-C135 WeakPolarHBondContact O-CB 3.35Å; E132-C135 PolarHBondContact O-N 3.39Å; E132-L136 HydrophobicContact CG-CD1 3.89Å; E132-L136 HydrophobicContact CG-CG 4.42Å; E132-L136 WeakPolarHBondContact O-CG 3.44Å; E132-L136 PolarHBondContact O-N 3.19Å; E132-Y401 HydrophobicContact CG-CD1 3.87Å; E132-Y401 HydrophobicContact CG-CE1 3.54Å; E132-Y401 WeakPolarHBondContact OE2-CD1 3.43Å; E132-Y401 WeakPolarHBondContact OE2-CE1 3.41Å; E132-R429 IonicContact OE2-CZ 3.71Å; E132-R429 IonicContact OE2-NE 3.07Å; E132-R429 PolarHBondContact OE2-NE 3.39Å; E132-R429 IonicContact OE2-NH2 3.2Å; E132-R429 PolarHBondContact OE2-NH2 3.31Å; E132-D432 HydrophobicContact CB-CB 3.99Å; E132-Q436 PolarHBondContact OE1-NE2 3.46Å
133	S	95.6	Very high	97.7	Very high	76 Å²	76	26.6 Å²	26.6	53%	0.531	15%	0.145	S	C	.	.	H	α-helix	trans	-61.6	-45.1	-179.4	50.7	0	0	0	0	112.7	P131 R137	P131-S133 VanDerWaalsContact C-N 3.28Å; P131-S133 PolarHBondContact O-N 2.99Å; S133-R137 WeakPolarHBondContact O-CB 3.46Å; S133-R137 PolarHBondContact O-N 2.88Å; S133-R137 VanDerWaalsContact O-N 3.09Å
134	T	96.8	Very high	97.6	Very high	7 Å²	7	29.2 Å²	29.2	4%	0.043	16%	0.157	C	C	.	.	H	α-helix	trans	-69.4	-41.7	178.5	-53.2	0	0	0	0	110.8	P108 E109 L130 P131 E132 L136 R137 L138	P108-T134 HydrophobicContact CB-CG2 4.1Å; P108-T134 HydrophobicContact CG-CG2 3.87Å; E109-T134 HydrophobicContact CG-CG2 4.23Å; E109-T134 WeakPolarHBondContact OE1-CB 3.19Å; E109-T134 VanDerWaalsContact OE1-CG2 3.27Å; E109-T134 WeakPolarHBondContact OE1-CG2 3.35Å; E109-T134 PolarHBondContact OE1-OG1 3.31Å; L130-T134 HydrophobicContact CD2-CG2 4.11Å; P131-T134 PolarHBondContact O-N 3.48Å; P131-T134 VanDerWaalsContact O-N 3.14Å; E132-T134 PolarHBondContact O-N 3.23Å; T134-L136 PolarHBondContact O-N 3.36Å; T134-R137 PolarHBondContact O-N 3.41Å; T134-L138 VanDerWaalsContact O-CB 3.27Å; T134-L138 WeakPolarHBondContact O-CB 3.37Å; T134-L138 PolarHBondContact O-N 3.25Å
135	C	96.6	Very high	97.5	Very high	7 Å²	7	30.6 Å²	30.6	5%	0.047	17%	0.169	C	C	.	.	H	α-helix	trans	-55.7	-49.8	173.9	-84.3	0	0	0	0	112.5	L130 P131 E132 G139	L130-C135 WeakPolarHBondContact CB-SG 3.48Å; P131-C135 PolarHBondContact O-N 3.22Å; E132-C135 WeakPolarHBondContact O-CB 3.35Å; E132-C135 PolarHBondContact O-N 3.39Å; C135-G139 WeakPolarHBondContact O-CA 3.33Å; C135-G139 PolarHBondContact O-N 3.41Å
136	L	97.5	Very high	97.4	Very high	52 Å²	52	35.9 Å²	35.9	27%	0.272	20%	0.197	S	C	.	.	H	α-helix	trans	-66.1	-42.9	-178.9	-73.4	171.9	0	0	0	111.9	E132 T134 G139 S140 L397 Y401	E132-L136 HydrophobicContact CG-CD1 3.89Å; E132-L136 HydrophobicContact CG-CG 4.42Å; E132-L136 WeakPolarHBondContact O-CG 3.44Å; E132-L136 PolarHBondContact O-N 3.19Å; T134-L136 PolarHBondContact O-N 3.36Å; L136-G139 PolarHBondContact O-N 2.78Å; L136-S140 PolarHBondContact O-N 2.87Å; L136-L397 HydrophobicContact CD2-CB 3.88Å; L136-Y401 HydrophobicContact CD1-CD1 3.91Å; L136-Y401 HydrophobicContact CD1-CG 4.4Å; L136-Y401 HydrophobicContact CD2-CD1 3.98Å; L136-Y401 HydrophobicContact CD2-CD2 4.18Å; L136-Y401 HydrophobicContact CD2-CG 3.8Å; L136-Y401 HydrophobicContact CG-CD1 4.2Å
137	R	97.8	Very high	97.4	Very high	101 Å²	101	37.1 Å²	37.1	38%	0.381	20%	0.204	S	C	.	.	H	α-helix	trans	-64	-50.4	179	-173.1	-177.8	169.4	-173.8	0.1	111.5	L112 D113 S133 T134 S140 V141	L112-R137 HydrophobicContact CD1-CB 4.46Å; L112-R137 HydrophobicContact CD1-CG 4.13Å; L112-R137 PolarHBondContact O-NH2 2.84Å; D113-R137 IonicContact OD1-CZ 3.14Å; D113-R137 IonicContact OD1-NH1 2.69Å; D113-R137 PolarHBondContact OD1-NH1 2.77Å; D113-R137 IonicContact OD1-NH2 2.74Å; D113-R137 PolarHBondContact OD1-NH2 3.3Å; S133-R137 WeakPolarHBondContact O-CB 3.46Å; S133-R137 PolarHBondContact O-N 2.88Å; S133-R137 VanDerWaalsContact O-N 3.09Å; T134-R137 PolarHBondContact O-N 3.41Å; R137-S140 PolarHBondContact O-N 3.37Å; R137-V141 PolarHBondContact O-N 3.24Å
138	L	98.2	Very high	97.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-63	-45.3	177	180	61.1	0	0	0	111.2	I35 L112 F119 V125 L130 T134 S140 V141 L142 F149	I35-L138 HydrophobicContact CD1-CD2 3.22Å; L112-L138 HydrophobicContact CD1-CB 4.13Å; L112-L138 HydrophobicContact CD2-CD1 3.96Å; F119-L138 HydrophobicContact CD1-CD1 4.3Å; F119-L138 HydrophobicContact CD2-CD1 3.76Å; F119-L138 HydrophobicContact CE1-CD1 4.37Å; F119-L138 HydrophobicContact CE2-CD1 3.83Å; F119-L138 HydrophobicContact CG-CD1 4.01Å; F119-L138 HydrophobicContact CZ-CD1 4.14Å; V125-L138 HydrophobicContact CG1-CD2 4.37Å; L130-L138 HydrophobicContact CD1-CD2 4.35Å; T134-L138 VanDerWaalsContact O-CB 3.27Å; T134-L138 WeakPolarHBondContact O-CB 3.37Å; T134-L138 PolarHBondContact O-N 3.25Å; L138-S140 VanDerWaalsContact C-N 3.25Å; L138-S140 PolarHBondContact O-N 2.92Å; L138-V141 PolarHBondContact O-N 3.15Å; L138-V141 VanDerWaalsContact O-N 3.1Å; L138-L142 HydrophobicContact CD1-CD1 3.9Å; L138-L142 HydrophobicContact CD1-CD2 4.3Å; L138-L142 HydrophobicContact CD1-CG 3.93Å; L138-L142 HydrophobicContact CD2-CD1 4.29Å; L138-L142 HydrophobicContact CG-CD1 3.74Å; L138-L142 HydrophobicContact CG-CG 4.15Å; L138-L142 WeakPolarHBondContact O-CG 3.15Å; L138-L142 PolarHBondContact O-N 3.25Å; L138-F149 HydrophobicContact CD2-CE1 4.47Å; L138-F149 HydrophobicContact CD2-CE2 3.77Å; L138-F149 HydrophobicContact CD2-CZ 3.7Å; L138-F149 HydrophobicContact CG-CE2 4.47Å; L138-F149 HydrophobicContact CG-CZ 4.23Å
139	G	97.7	Very high	97.4	Very high	5 Å²	5	38.2 Å²	38.2	5%	0.052	21%	0.21	C	C	.	.	H	α-helix	trans	-57.7	-37.3	179	0	0	0	0	0	112.8	C135 L136 W143	C135-G139 WeakPolarHBondContact O-CA 3.33Å; C135-G139 PolarHBondContact O-N 3.41Å; L136-G139 PolarHBondContact O-N 2.78Å; G139-W143 WeakPolarHBondContact O-CB 3.29Å; G139-W143 PolarHBondContact O-N 3.45Å
140	S	97.9	Very high	97.4	Very high	63 Å²	63	36.4 Å²	36.4	44%	0.441	20%	0.202	S	C	.	.	H	α-helix	trans	-65	-44.6	174.8	-174.2	0	0	0	0	112.5	L136 R137 L138 N144	L136-S140 PolarHBondContact O-N 2.87Å; R137-S140 PolarHBondContact O-N 3.37Å; L138-S140 VanDerWaalsContact C-N 3.25Å; L138-S140 PolarHBondContact O-N 2.92Å; S140-N144 VanDerWaalsContact O-CG 3.28Å; S140-N144 PolarHBondContact O-N 3.44Å; S140-N144 VanDerWaalsContact O-N 3.09Å; S140-N144 PolarHBondContact O-ND2 3.47Å; S140-N144 VanDerWaalsContact O-ND2 3.16Å
141	V	98.1	Very high	97.5	Very high	33 Å²	33	36.5 Å²	36.5	20%	0.2	20%	0.203	C	C	.	.	H	α-helix	trans	-60.7	-52.1	177.2	174.5	0	0	0	0	110.5	L112 P116 R137 L138 W143 N144 A145	L112-V141 HydrophobicContact CD2-CB 4.47Å; L112-V141 HydrophobicContact CD2-CG2 4.01Å; P116-V141 HydrophobicContact CB-CG1 4.32Å; P116-V141 HydrophobicContact CB-CG2 4.49Å; R137-V141 PolarHBondContact O-N 3.24Å; L138-V141 PolarHBondContact O-N 3.15Å; L138-V141 VanDerWaalsContact O-N 3.1Å; V141-W143 PolarHBondContact O-N 3.15Å; V141-N144 PolarHBondContact O-N 3.37Å; V141-A145 PolarHBondContact O-N 3.34Å; V141-A145 VanDerWaalsContact O-N 3.1Å
142	L	98.4	Very high	97.7	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-65.1	-39.8	-178.3	-61.1	179.3	0	0	0	112.4	F119 V125 L138 N144 A145 N146 I147 F149	F119-L142 HydrophobicContact CB-CD2 3.54Å; F119-L142 HydrophobicContact CG-CD2 4.37Å; V125-L142 HydrophobicContact CB-CD1 3.75Å; V125-L142 HydrophobicContact CG1-CD1 4.01Å; V125-L142 HydrophobicContact CG2-CD1 3.98Å; V125-L142 HydrophobicContact CG2-CD2 3.89Å; L138-L142 HydrophobicContact CD1-CD1 3.9Å; L138-L142 HydrophobicContact CD1-CD2 4.3Å; L138-L142 HydrophobicContact CD1-CG 3.93Å; L138-L142 HydrophobicContact CD2-CD1 4.29Å; L138-L142 HydrophobicContact CG-CD1 3.74Å; L138-L142 HydrophobicContact CG-CG 4.15Å; L138-L142 WeakPolarHBondContact O-CG 3.15Å; L138-L142 PolarHBondContact O-N 3.25Å; L142-N144 PolarHBondContact O-N 3.03Å; L142-A145 CarbonylContact O-C 3.57Å; L142-A145 PolarHBondContact O-N 3.45Å; L142-N146 PolarHBondContact O-N 3.27Å; L142-I147 HydrophobicContact CB-CB 4.27Å; L142-I147 HydrophobicContact CD2-CB 3.96Å; L142-I147 HydrophobicContact CD2-CG2 4Å; L142-I147 PolarHBondContact O-N 3.01Å; L142-F149 HydrophobicContact CB-CB 4.43Å; L142-F149 HydrophobicContact CD1-CB 3.62Å; L142-F149 HydrophobicContact CD1-CD1 4.16Å; L142-F149 HydrophobicContact CD1-CD2 3.63Å; L142-F149 HydrophobicContact CD1-CE2 4.29Å; L142-F149 HydrophobicContact CD1-CG 3.56Å
143	W	98.1	Very high	97.8	Very high	57 Å²	57	34.6 Å²	34.6	22%	0.216	19%	0.191	C	C	.	.	H	α-helix	trans	-58.5	-47.9	175.2	-178.2	-97.1	0	0	0	111.2	G139 V141 A145 N146 V164 K166 C394	G139-W143 WeakPolarHBondContact O-CB 3.29Å; G139-W143 PolarHBondContact O-N 3.45Å; V141-W143 PolarHBondContact O-N 3.15Å; W143-A145 VanDerWaalsContact C-N 3.29Å; W143-A145 PolarHBondContact O-N 2.86Å; W143-N146 PolarHBondContact O-N 2.77Å; W143-N146 VanDerWaalsContact O-N 3.15Å; W143-V164 HydrophobicContact CE3-CG1 3.84Å; W143-V164 HydrophobicContact CZ3-CG1 4.13Å; W143-K166 HydrophobicContact CD2-CD 4.21Å; W143-K166 HydrophobicContact CD2-CG 3.66Å; W143-K166 HydrophobicContact CE3-CG 3.66Å; W143-K166 HydrophobicContact CH2-CB 4.25Å; W143-K166 HydrophobicContact CH2-CG 3.45Å; W143-K166 VanDerWaalsContact CH2-CG 3.45Å; W143-K166 HydrophobicContact CZ2-CD 4.3Å; W143-K166 HydrophobicContact CZ2-CG 3.44Å; W143-K166 VanDerWaalsContact CZ2-CG 3.44Å; W143-K166 HydrophobicContact CZ3-CB 4.32Å; W143-K166 HydrophobicContact CZ3-CG 3.56Å; W143-K166 WeakPolarHBondContact O-CE 3.15Å; W143-K166 PolarHBondContact O-NZ 3.42Å; W143-C394 WeakPolarHBondContact CH2-O 2.94Å
144	N	97.3	Very high	98	Very high	111 Å²	111	31 Å²	31	59%	0.594	17%	0.166	S	C	*	.	H	α-helix	trans	-64.5	-34.8	179.7	-70.3	-26.8	0	0	0	112.5	S140 V141 L142 N146	S140-N144 VanDerWaalsContact O-CG 3.28Å; S140-N144 PolarHBondContact O-N 3.44Å; S140-N144 VanDerWaalsContact O-N 3.09Å; S140-N144 PolarHBondContact O-ND2 3.47Å; S140-N144 VanDerWaalsContact O-ND2 3.16Å; V141-N144 PolarHBondContact O-N 3.37Å; L142-N144 PolarHBondContact O-N 3.03Å; N144-N146 VanDerWaalsContact C-N 3.31Å
145	A	97	Very high	98	Very high	31 Å²	31	30.7 Å²	30.7	26%	0.256	16%	0.164	S	C	.	.	H	α-helix	trans	-82.2	-3.1	176.7	0	0	0	0	0	114.6	H120 V141 L142 W143 I147	H120-A145 WeakPolarHBondContact CD2-CB 3.43Å; H120-A145 WeakPolarHBondContact NE2-CB 3.42Å; V141-A145 PolarHBondContact O-N 3.34Å; V141-A145 VanDerWaalsContact O-N 3.1Å; L142-A145 CarbonylContact O-C 3.57Å; L142-A145 PolarHBondContact O-N 3.45Å; W143-A145 VanDerWaalsContact C-N 3.29Å; W143-A145 PolarHBondContact O-N 2.86Å; A145-I147 VanDerWaalsContact C-N 3.25Å; A145-I147 HydrophobicContact CB-CG1 3.87Å; A145-I147 PolarHBondContact O-N 3.07Å
146	N	96.9	Very high	98.1	Very high	111 Å²	111	30.4 Å²	30.4	59%	0.594	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.6	33.4	-173.8	-48.8	-52.7	0	0	0	113.7	L142 W143 N144 K166	L142-N146 PolarHBondContact O-N 3.27Å; W143-N146 PolarHBondContact O-N 2.77Å; W143-N146 VanDerWaalsContact O-N 3.15Å; N144-N146 VanDerWaalsContact C-N 3.31Å; N146-K166 WeakPolarHBondContact OD1-CD 3.28Å; N146-K166 PolarHBondContact OD1-NZ 3.12Å
147	I	98.3	Very high	98.2	Very high	26 Å²	26	30.7 Å²	30.7	13%	0.133	16%	0.164	C	C	.	.			trans	-92.4	125.9	175.1	-56.2	-59.5	0	0	0	109	V125 L142 A145	V125-I147 HydrophobicContact CG2-CG2 4.02Å; L142-I147 HydrophobicContact CB-CB 4.27Å; L142-I147 HydrophobicContact CD2-CB 3.96Å; L142-I147 HydrophobicContact CD2-CG2 4Å; L142-I147 PolarHBondContact O-N 3.01Å; A145-I147 VanDerWaalsContact C-N 3.25Å; A145-I147 HydrophobicContact CB-CG1 3.87Å; A145-I147 PolarHBondContact O-N 3.07Å
148	P	98.6	Very high	98.2	Very high	21 Å²	21	25.9 Å²	25.9	14%	0.136	15%	0.146	C	C	.	.			trans	-57.2	138	173.6	-25.5	35.2	0	0	0	111.9	T123 L124 V125 I507	T123-P148 WeakPolarHBondContact O-CD 3.23Å; L124-P148 HydrophobicContact CD1-CB 3.7Å; L124-P148 WeakPolarHBondContact CD1-O 3.44Å; V125-P148 PolarHBondContact N-O 3.31Å; P148-I507 HydrophobicContact CB-CG2 3.83Å; P148-I507 HydrophobicContact CG-CG2 3.86Å
149	F	98.8	Very high	98.2	Very high	1 Å²	1	25.9 Å²	25.9	0%	0.004	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	125.1	177.4	-178.4	-143.7	0	0	0	110.8	V125 L130 L138 L142 V151 V164 L397	V125-F149 HydrophobicContact CB-CD2 4.14Å; V125-F149 HydrophobicContact CG1-CD2 4.09Å; V125-F149 HydrophobicContact CG1-CE2 4.22Å; V125-F149 WeakPolarHBondContact O-CA 3.37Å; V125-F149 WeakPolarHBondContact O-CD2 3.47Å; L130-F149 HydrophobicContact CD1-CZ 4.21Å; L138-F149 HydrophobicContact CD2-CE1 4.47Å; L138-F149 HydrophobicContact CD2-CE2 3.77Å; L138-F149 HydrophobicContact CD2-CZ 3.7Å; L138-F149 HydrophobicContact CG-CE2 4.47Å; L138-F149 HydrophobicContact CG-CZ 4.23Å; L142-F149 HydrophobicContact CB-CB 4.43Å; L142-F149 HydrophobicContact CD1-CB 3.62Å; L142-F149 HydrophobicContact CD1-CD1 4.16Å; L142-F149 HydrophobicContact CD1-CD2 3.63Å; L142-F149 HydrophobicContact CD1-CE2 4.29Å; L142-F149 HydrophobicContact CD1-CG 3.56Å; F149-V151 HydrophobicContact CD1-CG2 3.9Å; F149-V151 HydrophobicContact CE1-CG2 3.42Å; F149-V151 VanDerWaalsContact CE1-CG2 3.42Å; F149-V151 HydrophobicContact CE2-CG2 4.26Å; F149-V151 HydrophobicContact CZ-CG2 3.62Å; F149-V164 HydrophobicContact CB-CB 4.17Å; F149-V164 HydrophobicContact CD1-CG2 4.35Å; F149-V164 PolarHBondContact N-O 3.3Å; F149-V164 PolarHBondContact O-N 3.32Å; F149-L397 HydrophobicContact CD1-CD1 4.17Å; F149-L397 HydrophobicContact CE1-CD1 3.93Å
150	L	98.8	Very high	98.3	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.005	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	111.5	174.9	-177.3	64.5	0	0	0	109.2	L124 V125 I126 G127 M161 R162 L163 A500 F515	L124-L150 HydrophobicContact CD1-CB 4.2Å; V125-L150 PolarHBondContact O-N 3.06Å; I126-L150 CarbonylContact C-O 3.44Å; I126-L150 VanDerWaalsContact CA-O 3.29Å; I126-L150 WeakPolarHBondContact CA-O 3.38Å; I126-L150 HydrophobicContact CG1-CB 4.42Å; G127-L150 PolarHBondContact N-O 2.89Å; L150-M161 HydrophobicContact CD1-CB 4.46Å; L150-R162 WeakPolarHBondContact CA-O 3.45Å; L150-L163 HydrophobicContact CD1-CB 4.29Å; L150-L163 HydrophobicContact CD1-CD1 4.45Å; L150-A500 HydrophobicContact CD2-CB 3.94Å; L150-F515 HydrophobicContact CD1-CE1 4.28Å; L150-F515 HydrophobicContact CD1-CZ 4.17Å
151	V	98.8	Very high	98.3	Very high	8 Å²	8	23.5 Å²	23.5	5%	0.048	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	131.3	174.1	-167	0	0	0	0	108.6	G127 F149 Y160 M161 R162 L397	G127-V151 CarbonylContact O-C 3.55Å; G127-V151 WeakPolarHBondContact O-CA 3.37Å; F149-V151 HydrophobicContact CD1-CG2 3.9Å; F149-V151 HydrophobicContact CE1-CG2 3.42Å; F149-V151 VanDerWaalsContact CE1-CG2 3.42Å; F149-V151 HydrophobicContact CE2-CG2 4.26Å; F149-V151 HydrophobicContact CZ-CG2 3.62Å; V151-Y160 HydrophobicContact CB-CE1 4.33Å; V151-Y160 HydrophobicContact CG1-CE1 4.14Å; V151-M161 CarbonylContact O-C 3.39Å; V151-M161 VanDerWaalsContact O-CA 3.22Å; V151-M161 WeakPolarHBondContact O-CA 3.45Å; V151-R162 HydrophobicContact CB-CB 4.04Å; V151-R162 HydrophobicContact CG2-CB 4.38Å; V151-R162 PolarHBondContact N-O 3.48Å; V151-R162 PolarHBondContact O-N 3.45Å; V151-L397 HydrophobicContact CG2-CD1 4.31Å
152	C	98.8	Very high	98.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	138.2	177.2	-64.8	0	0	0	0	110	I44 G127 V128 Q129 Y160 L496	I44-C152 HydrophobicContact CD1-CB 3.97Å; G127-C152 PolarHBondContact O-N 3.33Å; V128-C152 WeakPolarHBondContact CA-O 3.23Å; V128-C152 HydrophobicContact CG2-CB 4.21Å; Q129-C152 PolarHBondContact N-O 2.81Å; Q129-C152 VanDerWaalsContact N-O 3.14Å; C152-Y160 CarbonylContact C-O 3.56Å; C152-Y160 VanDerWaalsContact CA-O 3.32Å; C152-Y160 WeakPolarHBondContact CA-O 3.46Å; C152-L496 HydrophobicContact CB-CD2 4Å
153	R	98.5	Very high	98.4	Very high	14 Å²	14	21.9 Å²	21.9	5%	0.053	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	138.2	174.2	-166.5	-179.4	-172	172.8	7.8	111.6	G159 Y160 D432 Y441 L496	R153-G159 CarbonylContact O-C 3.59Å; R153-Y160 HydrophobicContact CB-CD1 3.98Å; R153-Y160 PolarHBondContact N-O 3.28Å; R153-Y160 PolarHBondContact O-N 3.35Å; R153-D432 IonicContact CZ-OD1 2.66Å; R153-D432 IonicContact NH1-OD1 3.4Å; R153-D432 PolarHBondContact NH1-OD1 3.01Å; R153-D432 IonicContact NH1-OD2 2.86Å; R153-D432 PolarHBondContact NH1-OD2 3.45Å; R153-D432 IonicContact NH2-OD1 3.09Å; R153-D432 PolarHBondContact NH2-OD1 3.43Å; R153-Y441 PolarHBondContact NH2-OH 2.6Å; R153-L496 WeakPolarHBondContact O-CD2 3.48Å
154	T	98.8	Very high	98.4	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	124.9	168.4	-63.1	0	0	0	0	107.9	S40 Q129 V158 E488 V492 L496	S40-T154 PolarHBondContact OG-OG1 3.5Å; Q129-T154 PolarHBondContact NE2-O 3.39Å; Q129-T154 PolarHBondContact OE1-O 3.25Å; T154-V158 WeakPolarHBondContact CA-O 3.03Å; T154-E488 HydrophobicContact CG2-CB 4.5Å; T154-E488 HydrophobicContact CG2-CG 3.95Å; T154-V492 HydrophobicContact CG2-CB 3.88Å; T154-V492 HydrophobicContact CG2-CG1 3.73Å; T154-L496 WeakPolarHBondContact OG1-CD2 3.29Å
155	Y	98.6	Very high	98.4	Very high	2 Å²	2	14.7 Å²	14.7	1%	0.008	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	97.7	-179.8	-165	-84.7	0	0	0	109.1	L157 V158 L428 V431 Y441 P442 F481 Y484 A486	Y155-L157 PolarHBondContact O-N 3.33Å; Y155-V158 PolarHBondContact N-O 3.05Å; Y155-V158 WeakPolarHBondContact O-CB 3.33Å; Y155-V158 PolarHBondContact O-N 3.5Å; Y155-L428 HydrophobicContact CG-CD2 4.08Å; Y155-V431 HydrophobicContact CD2-CG1 4.38Å; Y155-V431 HydrophobicContact CE1-CG2 4.21Å; Y155-V431 HydrophobicContact CE2-CG1 3.6Å; Y155-Y441 HydrophobicContact CE2-CD1 4.2Å; Y155-Y441 HydrophobicContact CE2-CG 4.45Å; Y155-P442 WeakPolarHBondContact OH-CD 3.33Å; Y155-P442 WeakPolarHBondContact OH-CG 3.28Å; Y155-F481 AromaticContact CD1-CD1 3.69Å; Y155-F481 HydrophobicContact CD1-CD1 3.69Å; Y155-F481 AromaticContact CD1-CE1 3.87Å; Y155-F481 HydrophobicContact CD1-CE1 3.87Å; Y155-F481 HydrophobicContact CE1-CB 4.49Å; Y155-F481 AromaticContact CE1-CD1 3.59Å; Y155-F481 HydrophobicContact CE1-CD1 3.59Å; Y155-F481 HydrophobicContact CE1-CE1 4.24Å; Y155-F481 HydrophobicContact CE1-CG 4.37Å; Y155-Y484 AromaticContact CD1-CD2 3.89Å; Y155-Y484 HydrophobicContact CD1-CD2 3.89Å; Y155-Y484 HydrophobicContact CE1-CD2 4.12Å; Y155-A486 HydrophobicContact CD2-CB 4.17Å; Y155-A486 VanDerWaalsContact CE2-CA 3.45Å; Y155-A486 HydrophobicContact CE2-CB 3.44Å; Y155-A486 VanDerWaalsContact CE2-CB 3.44Å
156	G	98.3	Very high	98.3	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.01	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	-120.4	-169.7	0	0	0	0	0	111.5	V158 S487 P489	G156-V158 VanDerWaalsContact C-N 3.28Å; G156-V158 PolarHBondContact O-N 3.36Å; G156-S487 PolarHBondContact N-O 3.27Å; G156-P489 WeakPolarHBondContact O-CD 3.41Å; G156-P489 WeakPolarHBondContact O-CG 3.33Å
157	L	98.4	Very high	98.3	Very high	57 Å²	57	14.1 Å²	14.1	30%	0.298	7%	0.07	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	20.9	179.8	-63	179.7	0	0	0	113.6	Y155 Y484 V492 A523 M524	Y155-L157 PolarHBondContact O-N 3.33Å; L157-Y484 HydrophobicContact CB-CE1 3.93Å; L157-Y484 HydrophobicContact CD1-CE1 4.33Å; L157-Y484 HydrophobicContact CG-CE1 4Å; L157-V492 HydrophobicContact CD2-CG2 3.91Å; L157-A523 HydrophobicContact CB-CB 4.03Å; L157-A523 HydrophobicContact CD2-CB 4.24Å; L157-A523 VanDerWaalsContact O-CB 3.25Å; L157-A523 WeakPolarHBondContact O-CB 3.49Å; L157-A523 PolarHBondContact O-N 3.2Å; L157-M524 HydrophobicContact CB-CG 3.77Å; L157-M524 HydrophobicContact CD1-CG 3.68Å; L157-M524 HydrophobicContact CG-CG 4.4Å
158	V	98.8	Very high	98.3	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.006	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	127.8	178	-174.8	0	0	0	0	110.4	T154 Y155 G156 L424 L428 F481 Y484 I520 Y521	T154-V158 WeakPolarHBondContact CA-O 3.03Å; Y155-V158 PolarHBondContact N-O 3.05Å; Y155-V158 WeakPolarHBondContact O-CB 3.33Å; Y155-V158 PolarHBondContact O-N 3.5Å; G156-V158 VanDerWaalsContact C-N 3.28Å; G156-V158 PolarHBondContact O-N 3.36Å; V158-L424 HydrophobicContact CG1-CB 4.09Å; V158-L424 HydrophobicContact CG1-CD1 4.26Å; V158-L424 HydrophobicContact CG2-CB 4.48Å; V158-L424 HydrophobicContact CG2-CD1 4.15Å; V158-L424 HydrophobicContact CG2-CD2 4.13Å; V158-L424 HydrophobicContact CG2-CG 4.5Å; V158-L428 HydrophobicContact CG1-CD1 4.08Å; V158-F481 HydrophobicContact CG2-CE2 4.29Å; V158-F481 HydrophobicContact CG2-CZ 3.9Å; V158-Y484 HydrophobicContact CG2-CE2 4.01Å; V158-I520 HydrophobicContact CG1-CG2 4.41Å; V158-Y521 WeakPolarHBondContact CA-O 3.45Å
159	G	98.6	Very high	98.2	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	136.3	166	0	0	0	0	0	110.7	R153 I520 Y521	R153-G159 CarbonylContact O-C 3.59Å; G159-I520 CarbonylContact O-C 3.59Å; G159-I520 WeakPolarHBondContact O-CA 3.37Å; G159-Y521 PolarHBondContact N-O 3.24Å; G159-Y521 PolarHBondContact O-N 3.1Å
160	Y	98.8	Very high	98.1	Very high	14 Å²	14	13.4 Å²	13.4	6%	0.055	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	131.4	178.9	166.8	-92.9	0	0	0	109.2	V151 C152 R153 R162 Y425 L428 T518 I520	V151-Y160 HydrophobicContact CB-CE1 4.33Å; V151-Y160 HydrophobicContact CG1-CE1 4.14Å; C152-Y160 CarbonylContact C-O 3.56Å; C152-Y160 VanDerWaalsContact CA-O 3.32Å; C152-Y160 WeakPolarHBondContact CA-O 3.46Å; R153-Y160 HydrophobicContact CB-CD1 3.98Å; R153-Y160 PolarHBondContact N-O 3.28Å; R153-Y160 PolarHBondContact O-N 3.35Å; Y160-R162 HydrophobicContact CE1-CB 3.83Å; Y160-R162 HydrophobicContact CE2-CB 4.47Å; Y160-R162 VanDerWaalsContact OH-CB 3.3Å; Y160-R162 WeakPolarHBondContact OH-CB 3.2Å; Y160-Y425 HydrophobicContact CE2-CD2 4.22Å; Y160-L428 HydrophobicContact CD2-CD1 4.01Å; Y160-L428 HydrophobicContact CG-CD1 4.1Å; Y160-T518 HydrophobicContact CD2-CG2 4.21Å; Y160-T518 HydrophobicContact CE2-CG2 3.78Å; Y160-I520 HydrophobicContact CD2-CD1 3.59Å; Y160-I520 HydrophobicContact CE2-CD1 4.4Å; Y160-I520 HydrophobicContact CG-CD1 4.48Å
161	M	98.7	Very high	97.9	Very high	3 Å²	3	15.1 Å²	15.1	2%	0.015	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	143.8	167	-53.8	-171.6	-76.3	0	0	111	L150 V151 L496 A500 F515 T518 F519	L150-M161 HydrophobicContact CD1-CB 4.46Å; V151-M161 CarbonylContact O-C 3.39Å; V151-M161 VanDerWaalsContact O-CA 3.22Å; V151-M161 WeakPolarHBondContact O-CA 3.45Å; M161-L496 HydrophobicContact CE-CD1 4.49Å; M161-L496 HydrophobicContact CG-CD1 3.3Å; M161-L496 HydrophobicContact CG-CG 4.11Å; M161-L496 HydrophobicContact SD-CD1 3.87Å; M161-L496 HydrophobicContact SD-CG 4.45Å; M161-A500 WeakPolarHBondContact SD-CA 3.49Å; M161-A500 HydrophobicContact SD-CB 3.51Å; M161-A500 VanDerWaalsContact SD-CB 3.51Å; M161-A500 PolarHBondContact SD-N 2.71Å; M161-F515 HydrophobicContact CB-CE1 4.36Å; M161-F515 HydrophobicContact CB-CZ 3.81Å; M161-F515 HydrophobicContact CE-CE1 4.44Å; M161-T518 CarbonylContact O-C 3.56Å; M161-T518 WeakPolarHBondContact O-CA 3.49Å; M161-F519 HydrophobicContact CB-CB 4.25Å; M161-F519 HydrophobicContact CB-CD1 4.48Å; M161-F519 HydrophobicContact CE-CB 4.08Å; M161-F519 HydrophobicContact CE-CD1 3.22Å; M161-F519 HydrophobicContact CE-CD2 4.42Å; M161-F519 HydrophobicContact CE-CE1 3.62Å; M161-F519 HydrophobicContact CE-CG 3.67Å; M161-F519 HydrophobicContact CE-CZ 4.36Å; M161-F519 HydrophobicContact CG-CD1 4.26Å; M161-F519 PolarHBondContact N-O 2.91Å; M161-F519 PolarHBondContact O-N 3.33Å
162	R	98.6	Very high	97.8	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	113.1	177.5	-177.8	71.1	-173.5	69.9	9.8	110.8	L150 V151 Y160 V164 R395 L397 E400 N517 T518	L150-R162 WeakPolarHBondContact CA-O 3.45Å; V151-R162 HydrophobicContact CB-CB 4.04Å; V151-R162 HydrophobicContact CG2-CB 4.38Å; V151-R162 PolarHBondContact N-O 3.48Å; V151-R162 PolarHBondContact O-N 3.45Å; Y160-R162 HydrophobicContact CE1-CB 3.83Å; Y160-R162 HydrophobicContact CE2-CB 4.47Å; Y160-R162 VanDerWaalsContact OH-CB 3.3Å; Y160-R162 WeakPolarHBondContact OH-CB 3.2Å; R162-V164 HydrophobicContact CG-CG2 4.08Å; R162-R395 PolarHBondContact NH2-O 2.82Å; R162-L397 HydrophobicContact CG-CD2 3.72Å; R162-E400 IonicContact CZ-OE2 3.83Å; R162-E400 VanDerWaalsContact CZ-OE2 3.22Å; R162-E400 IonicContact NE-OE1 2.73Å; R162-E400 IonicContact NE-OE2 3.67Å; R162-E400 PolarHBondContact NE-OE2 2.88Å; R162-E400 IonicContact NH2-OE2 3.65Å; R162-E400 PolarHBondContact NH2-OE2 3.4Å; R162-N517 CarbonylContact C-O 3.58Å; R162-N517 WeakPolarHBondContact CA-O 3.13Å; R162-N517 VanDerWaalsContact CD-O 3.31Å; R162-N517 WeakPolarHBondContact CD-O 3.42Å; R162-N517 PolarHBondContact NE-OD1 3.21Å; R162-N517 PolarHBondContact NH1-O 3.33Å; R162-N517 VanDerWaalsContact NH1-O 3.12Å; R162-N517 PolarHBondContact NH2-ND2 2.96Å; R162-N517 PolarHBondContact NH2-OD1 3.42Å; R162-T518 WeakPolarHBondContact CD-OG1 3.44Å; R162-T518 PolarHBondContact NE-OG1 3.2Å
163	L	98.6	Very high	97.6	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.005	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	114.5	177.7	177.4	66.7	0	0	0	111.2	L150 V165 C394 I507 P514 F515 N517	L150-L163 HydrophobicContact CD1-CB 4.29Å; L150-L163 HydrophobicContact CD1-CD1 4.45Å; L163-V165 HydrophobicContact CD2-CG1 4.2Å; L163-V165 HydrophobicContact CG-CG1 4.17Å; L163-C394 VanDerWaalsContact O-CB 3.31Å; L163-C394 WeakPolarHBondContact O-CB 3.09Å; L163-C394 PolarHBondContact O-SG 3.43Å; L163-I507 HydrophobicContact CD1-CD1 4.04Å; L163-I507 HydrophobicContact CD1-CG1 4.07Å; L163-I507 HydrophobicContact CD2-CD1 4.1Å; L163-P514 HydrophobicContact CD2-CB 3.77Å; L163-P514 HydrophobicContact CD2-CG 4.19Å; L163-F515 HydrophobicContact CB-CE1 4.1Å; L163-F515 HydrophobicContact CB-CE2 4.04Å; L163-F515 HydrophobicContact CB-CZ 3.7Å; L163-F515 WeakPolarHBondContact CD2-O 3.48Å; L163-N517 PolarHBondContact N-O 3.3Å
164	V	98.3	Very high	97.4	Very high	5 Å²	5	18.8 Å²	18.8	3%	0.03	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	100.9	-179.2	-170.9	0	0	0	0	108.7	W143 F149 R162 L397	W143-V164 HydrophobicContact CE3-CG1 3.84Å; W143-V164 HydrophobicContact CZ3-CG1 4.13Å; F149-V164 HydrophobicContact CB-CB 4.17Å; F149-V164 HydrophobicContact CD1-CG2 4.35Å; F149-V164 PolarHBondContact N-O 3.3Å; F149-V164 PolarHBondContact O-N 3.32Å; R162-V164 HydrophobicContact CG-CG2 4.08Å; V164-L397 HydrophobicContact CG1-CG 4.46Å; V164-L397 HydrophobicContact CG2-CD1 4.16Å; V164-L397 HydrophobicContact CG2-CD2 3.59Å; V164-L397 HydrophobicContact CG2-CG 3.67Å
165	V	97.4	Very high	97.1	Very high	11 Å²	11	21.1 Å²	21.1	7%	0.067	11%	0.107	C	C	.	.			trans	-141.8	129.8	176.5	65.9	0	0	0	0	109.9	L163 H168 C394	L163-V165 HydrophobicContact CD2-CG1 4.2Å; L163-V165 HydrophobicContact CG-CG1 4.17Å; V165-H168 HydrophobicContact CG1-CB 4.01Å; V165-H168 HydrophobicContact CG2-CB 3.98Å; V165-C394 HydrophobicContact CG1-CB 4.34Å; V165-C394 WeakPolarHBondContact O-CA 3.37Å; V165-C394 WeakPolarHBondContact O-CB 3.4Å; V165-C394 PolarHBondContact O-N 3.38Å
166	K	95.9	Very high	96.5	Very high	71 Å²	71	28.5 Å²	28.5	31%	0.309	15%	0.147	S	C	.	.	S	Bend	trans	-62	-50.1	177.9	-82.4	175.7	176.6	173.1	0	111.6	W143 N146 R393	W143-K166 HydrophobicContact CD2-CD 4.21Å; W143-K166 HydrophobicContact CD2-CG 3.66Å; W143-K166 HydrophobicContact CE3-CG 3.66Å; W143-K166 HydrophobicContact CH2-CB 4.25Å; W143-K166 HydrophobicContact CH2-CG 3.45Å; W143-K166 VanDerWaalsContact CH2-CG 3.45Å; W143-K166 HydrophobicContact CZ2-CD 4.3Å; W143-K166 HydrophobicContact CZ2-CG 3.44Å; W143-K166 VanDerWaalsContact CZ2-CG 3.44Å; W143-K166 HydrophobicContact CZ3-CB 4.32Å; W143-K166 HydrophobicContact CZ3-CG 3.56Å; W143-K166 WeakPolarHBondContact O-CE 3.15Å; W143-K166 PolarHBondContact O-NZ 3.42Å; N146-K166 WeakPolarHBondContact OD1-CD 3.28Å; N146-K166 PolarHBondContact OD1-NZ 3.12Å; K166-R393 WeakPolarHBondContact O-CB 3.37Å; K166-R393 WeakPolarHBondContact O-CG 3.3Å
167	E	96.1	Very high	96	Very high	59 Å²	59	36 Å²	36	28%	0.276	19%	0.187	S	C	.	.			trans	-152.3	126.5	178.9	-175.2	171.5	88	0	0	109.1	T169 Q292 W304 V391 V392 R393	E167-T169 HydrophobicContact CG-CG2 4.04Å; E167-Q292 PolarHBondContact OE2-NE2 2.97Å; E167-W304 PolarHBondContact OE1-NE1 3.16Å; E167-W304 WeakPolarHBondContact OE2-CZ2 3.09Å; E167-V391 HydrophobicContact CG-CG1 3.82Å; E167-V392 CarbonylContact C-O 3.11Å; E167-V392 WeakPolarHBondContact CA-O 3.36Å; E167-R393 HydrophobicContact CB-CG 4.44Å; E167-R393 HydrophobicContact CG-CG 4.4Å; E167-R393 IonicContact OE2-CZ 2.73Å; E167-R393 IonicContact OE2-NE 3.64Å; E167-R393 PolarHBondContact OE2-NE 3.18Å; E167-R393 IonicContact OE2-NH2 3.8Å; E167-R393 PolarHBondContact OE2-NH2 2.92Å
168	H	97.4	Very high	95.5	Very high	12 Å²	12	35.1 Å²	35.1	6%	0.056	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	114.6	173.7	-174	70.8	0	0	0	109	V165 V391 V392 I507	V165-H168 HydrophobicContact CG1-CB 4.01Å; V165-H168 HydrophobicContact CG2-CB 3.98Å; H168-V391 WeakPolarHBondContact O-CA 3.48Å; H168-V392 HydrophobicContact CB-CB 4.43Å; H168-V392 PolarHBondContact N-O 2.71Å; H168-V392 PolarHBondContact O-N 2.87Å; H168-I507 PolarHBondContact CE1-O 2.93Å
169	T	96.9	Very high	95.1	Very high	22 Å²	22	39.6 Å²	39.6	14%	0.135	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	128.1	-175.8	61.3	0	0	0	0	110.3	E167 F303 V391	E167-T169 HydrophobicContact CG-CG2 4.04Å; T169-F303 HydrophobicContact CG2-CB 4.41Å; T169-F303 HydrophobicContact CG2-CD1 3.51Å; T169-F303 HydrophobicContact CG2-CD2 4.4Å; T169-F303 HydrophobicContact CG2-CE1 3.78Å; T169-F303 HydrophobicContact CG2-CG 3.86Å; T169-F303 HydrophobicContact CG2-CZ 4.33Å; T169-V391 HydrophobicContact CG2-CG1 4.47Å; T169-V391 HydrophobicContact CG2-CG2 4.26Å
170	V	97.2	Very high	94.9	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	125	-176	177.4	0	0	0	0	109	R390 F512	V170-R390 HydrophobicContact CB-CB 4.23Å; V170-R390 PolarHBondContact N-O 3Å; V170-R390 PolarHBondContact O-N 2.87Å; V170-F512 WeakPolarHBondContact CG1-O 3.09Å; V170-F512 WeakPolarHBondContact CG2-O 3.37Å
171	I	95.1	Very high	94.7	Very high	36 Å²	36	44 Å²	44	19%	0.185	23%	0.233	C	C	.	.	S	Bend	trans	-91.4	-55.2	174.8	-62.1	166.8	0	0	0	108.9	S173 F303 M306 L381 F382 N385 L389	I171-S173 PolarHBondContact O-N 3.38Å; I171-F303 HydrophobicContact CD1-CD2 4.41Å; I171-F303 HydrophobicContact CG1-CD2 3.85Å; I171-F303 HydrophobicContact CG1-CE2 4.13Å; I171-M306 HydrophobicContact CD1-CE 4.08Å; I171-L381 HydrophobicContact CG2-CG 4.46Å; I171-F382 HydrophobicContact CD1-CD2 3.77Å; I171-F382 HydrophobicContact CD1-CE2 4.33Å; I171-F382 HydrophobicContact CG1-CD2 3.85Å; I171-F382 HydrophobicContact CG1-CE2 4.1Å; I171-F382 HydrophobicContact CG2-CD2 4.24Å; I171-N385 HydrophobicContact CG2-CB 3.96Å; I171-N385 VanDerWaalsContact O-CB 3.28Å; I171-N385 WeakPolarHBondContact O-CB 3.34Å; I171-L389 HydrophobicContact CB-CD2 4.5Å; I171-L389 HydrophobicContact CG1-CD2 4.46Å; I171-L389 HydrophobicContact CG2-CD2 4.3Å
172	E	95.4	Very high	94.6	Very high	27 Å²	27	44.2 Å²	44.2	13%	0.126	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-90.6	81.2	179.6	-69.8	177.2	114.3	0	0	110.9	H22 H174 L381 Q511 F512	H22-E172 IonicContact CD2-OE2 2.87Å; H22-E172 IonicContact CE1-OE1 2.97Å; H22-E172 IonicContact CE1-OE2 2.75Å; H22-E172 IonicContact NE2-OE1 3.37Å; H22-E172 IonicContact NE2-OE2 3.37Å; H22-E172 PolarHBondContact NE2-OE2 3.25Å; E172-H174 PolarHBondContact O-CD2 3.47Å; E172-H174 PolarHBondContact O-N 3.3Å; E172-L381 HydrophobicContact CG-CD1 3.98Å; E172-L381 HydrophobicContact CG-CD2 4.25Å; E172-L381 HydrophobicContact CG-CG 4.25Å; E172-L381 WeakPolarHBondContact OE1-CD1 3.37Å; E172-Q511 HydrophobicContact CB-CG 4.18Å; E172-Q511 WeakPolarHBondContact O-CA 3.29Å; E172-F512 PolarHBondContact O-N 2.82Å
173	S	95.2	Very high	94.5	Very high	8 Å²	8	45.2 Å²	45.2	6%	0.056	24%	0.238	C	C	.	.			trans	-74.5	-9.8	-179.5	82.8	0	0	0	0	114	I171 F388	I171-S173 PolarHBondContact O-N 3.38Å; S173-F388 WeakPolarHBondContact CB-O 3.37Å; S173-F388 PolarHBondContact OG-O 3.39Å
174	H	93.4	Very high	94.4	Very high	64 Å²	64	45.5 Å²	45.5	30%	0.296	24%	0.24	S	C	.	.			trans	44.3	65.3	-177.5	-66.4	-70.2	0	0	0	113.5	E172 D176 Q511 F512	E172-H174 PolarHBondContact O-CD2 3.47Å; E172-H174 PolarHBondContact O-N 3.3Å; H174-D176 PolarHBondContact O-N 3.23Å; H174-Q511 PolarHBondContact NE2-OE1 2.8Å; H174-F512 HydrophobicContact CB-CD1 3.57Å; H174-F512 HydrophobicContact CB-CE1 3.35Å; H174-F512 HydrophobicContact CB-CG 4.34Å; H174-F512 HydrophobicContact CB-CZ 3.96Å; H174-F512 AromaticContact CD2-CD1 3.98Å; H174-F512 AromaticContact CD2-CD2 3.79Å; H174-F512 AromaticContact CD2-CE1 3.73Å; H174-F512 AromaticContact CD2-CE2 3.5Å; H174-F512 VanDerWaalsContact CD2-CE2 3.5Å; H174-F512 WeakPolarHBondContact CD2-CE2 3.37Å; H174-F512 AromaticContact CD2-CG 4Å; H174-F512 AromaticContact CD2-CZ 3.46Å; H174-F512 VanDerWaalsContact CD2-CZ 3.46Å; H174-F512 WeakPolarHBondContact CD2-CZ 3.34Å; H174-F512 AromaticContact CG-CE1 3.71Å; H174-F512 AromaticContact CG-CZ 3.77Å
175	P	92.5	Very high	94.2	Very high	49 Å²	49	46.7 Å²	46.7	32%	0.318	25%	0.246	S	C	.	.			trans	-66.2	129.3	179.6	29	-34	0	0	0	111.4	N177 A178 F388	P175-N177 VanDerWaalsContact C-N 3.29Å; P175-N177 PolarHBondContact O-N 2.92Å; P175-A178 HydrophobicContact CB-CB 4.46Å; P175-A178 HydrophobicContact CG-CB 4.01Å; P175-F388 HydrophobicContact CG-CD1 3.85Å; P175-F388 HydrophobicContact CG-CD2 4.19Å; P175-F388 HydrophobicContact CG-CE1 3.91Å; P175-F388 HydrophobicContact CG-CE2 4.24Å; P175-F388 HydrophobicContact CG-CG 3.99Å; P175-F388 HydrophobicContact CG-CZ 4.08Å
176	D	86.9	Confident	94	Very high	157 Å²	157	50.5 Å²	50.5	84%	0.84	26%	0.263	S	S	*	.	S	Bend	trans	-57.9	-40.8	-179.9	-69.5	-19.9	0	0	0	113.1	H174	H174-D176 PolarHBondContact O-N 3.23Å
177	N	87.4	Confident	94	Very high	159 Å²	159	49.7 Å²	49.7	85%	0.85	27%	0.265	S	S	*	.	S	Bend	trans	-135.8	111.6	178.5	-65	-76.9	0	0	0	108.6	P175	P175-N177 VanDerWaalsContact C-N 3.29Å; P175-N177 PolarHBondContact O-N 2.92Å
178	A	88	Confident	94	Very high	39 Å²	39	48 Å²	48	32%	0.322	26%	0.257	S	S	.	.			trans	-116	146.7	173.7	0	0	0	0	0	110.5	P175 F388	P175-A178 HydrophobicContact CB-CB 4.46Å; P175-A178 HydrophobicContact CG-CB 4.01Å; A178-F388 HydrophobicContact CB-CE1 3.63Å; A178-F388 HydrophobicContact CB-CZ 3.46Å; A178-F388 VanDerWaalsContact CB-CZ 3.46Å
179	L	90.9	Very high	94	Very high	95 Å²	95	50.4 Å²	50.4	50%	0.497	28%	0.278	S	S	.	.			trans	-68.9	142.8	166.5	-66.1	175.1	0	0	0	109.6	T273 N276 R325	L179-T273 HydrophobicContact CD2-CG2 4.32Å; L179-N276 HydrophobicContact CD1-CB 4.11Å; L179-N276 WeakPolarHBondContact CD1-ND2 3.39Å; L179-N276 WeakPolarHBondContact CD2-ND2 3.49Å; L179-R325 PolarHBondContact O-NH1 2.66Å; L179-R325 VanDerWaalsContact O-NH1 3.1Å; L179-R325 PolarHBondContact O-NH2 2.75Å
180	E	93.5	Very high	94	Very high	83 Å²	83	52.9 Å²	52.9	39%	0.388	29%	0.288	S	S	.	.			trans	-73.1	142.2	175	-63	-59.3	162.2	0	0	111.2	L182 R325 P329	E180-L182 VanDerWaalsContact C-N 3.25Å; E180-L182 HydrophobicContact CB-CD1 4.37Å; E180-L182 HydrophobicContact CB-CD2 3.61Å; E180-L182 HydrophobicContact CB-CG 3.71Å; E180-L182 PolarHBondContact O-N 3.42Å; E180-L182 VanDerWaalsContact O-N 3.1Å; E180-R325 IonicContact OE2-NH1 3.19Å; E180-P329 HydrophobicContact CG-CG 4.16Å
181	D	95.9	Very high	94	Very high	22 Å²	22	52.9 Å²	52.9	12%	0.118	29%	0.288	C	S	.	.			trans	-87.7	63.1	178.6	-173.4	23.4	0	0	0	110.5	R183 V324 R325	D181-R183 VanDerWaalsContact C-N 3.35Å; D181-R183 PolarHBondContact O-N 3.38Å; D181-R183 WeakPolarHBondContact OD1-CD 3.38Å; D181-R183 IonicContact OD1-CZ 3.52Å; D181-R183 IonicContact OD1-NE 2.65Å; D181-R183 PolarHBondContact OD1-NE 3.25Å; D181-R183 IonicContact OD1-NH2 2.66Å; D181-R183 IonicContact OD2-CZ 2.74Å; D181-R183 IonicContact OD2-NE 3.96Å; D181-R183 IonicContact OD2-NH2 3.86Å; D181-R183 PolarHBondContact OD2-NH2 3.39Å; D181-V324 WeakPolarHBondContact OD2-CA 3.39Å; D181-R325 HydrophobicContact CB-CB 3.94Å; D181-R325 PolarHBondContact OD2-N 3.25Å
182	L	96.7	Very high	94.1	Very high	9 Å²	9	56 Å²	56	5%	0.047	30%	0.301	C	S	.	.			trans	-77.1	-19.3	-171.7	-55.6	-177.6	0	0	0	113.5	E180 L184 W213 I214 A274 I328 Y345	E180-L182 VanDerWaalsContact C-N 3.25Å; E180-L182 HydrophobicContact CB-CD1 4.37Å; E180-L182 HydrophobicContact CB-CD2 3.61Å; E180-L182 HydrophobicContact CB-CG 3.71Å; E180-L182 PolarHBondContact O-N 3.42Å; E180-L182 VanDerWaalsContact O-N 3.1Å; L182-L184 HydrophobicContact CB-CG 4.04Å; L182-L184 HydrophobicContact CD1-CD1 4.47Å; L182-L184 PolarHBondContact O-N 3.42Å; L182-L184 VanDerWaalsContact O-N 3.1Å; L182-W213 HydrophobicContact CD1-CH2 3.5Å; L182-W213 VanDerWaalsContact CD1-CH2 3.5Å; L182-W213 HydrophobicContact CD1-CZ2 4.26Å; L182-W213 HydrophobicContact CD1-CZ3 4.29Å; L182-I214 HydrophobicContact CD2-CD1 3.78Å; L182-A274 HydrophobicContact CD1-CB 3.87Å; L182-I328 HydrophobicContact CD2-CG2 4.5Å; L182-Y345 PolarHBondContact O-OH 3.48Å
183	R	96.8	Very high	94.2	Very high	20 Å²	20	59.5 Å²	59.5	8%	0.075	32%	0.32	C	S	.	.			trans	54.2	27.5	-179.6	-58.3	-67.4	177.3	111.8	7.9	114.6	D181 D185 Q186 P187 F188 L191 L322 V324	D181-R183 VanDerWaalsContact C-N 3.35Å; D181-R183 PolarHBondContact O-N 3.38Å; D181-R183 WeakPolarHBondContact OD1-CD 3.38Å; D181-R183 IonicContact OD1-CZ 3.52Å; D181-R183 IonicContact OD1-NE 2.65Å; D181-R183 PolarHBondContact OD1-NE 3.25Å; D181-R183 IonicContact OD1-NH2 2.66Å; D181-R183 IonicContact OD2-CZ 2.74Å; D181-R183 IonicContact OD2-NE 3.96Å; D181-R183 IonicContact OD2-NH2 3.86Å; D181-R183 PolarHBondContact OD2-NH2 3.39Å; R183-D185 VanDerWaalsContact C-N 3.3Å; R183-D185 PolarHBondContact O-N 2.82Å; R183-Q186 CarbonylContact O-C 3.45Å; R183-Q186 PolarHBondContact O-N 3.22Å; R183-P187 WeakPolarHBondContact O-CA 3.37Å; R183-F188 HydrophobicContact CB-CD1 4.29Å; R183-F188 HydrophobicContact CB-CE1 4.41Å; R183-F188 HydrophobicContact CG-CD1 4.33Å; R183-F188 HydrophobicContact CG-CE1 4.41Å; R183-L191 HydrophobicContact CB-CD2 4.32Å; R183-L322 PolarHBondContact NH2-O 3.34Å; R183-V324 HydrophobicContact CG-CG2 4.43Å
184	L	95.8	Very high	94.3	Very high	8 Å²	8	60.4 Å²	60.4	4%	0.042	32%	0.323	C	S	.	.	S	Bend	trans	-70.7	-27.3	180	-68.1	-175.6	0	0	0	113	L182 I214 V217 A218 L221 A274	L182-L184 HydrophobicContact CB-CG 4.04Å; L182-L184 HydrophobicContact CD1-CD1 4.47Å; L182-L184 PolarHBondContact O-N 3.42Å; L182-L184 VanDerWaalsContact O-N 3.1Å; L184-I214 HydrophobicContact CD2-CG2 3.91Å; L184-V217 HydrophobicContact CD1-CB 4.21Å; L184-V217 HydrophobicContact CD1-CG1 3.75Å; L184-A218 HydrophobicContact CD2-CB 3.94Å; L184-L221 HydrophobicContact CB-CD2 4.47Å; L184-A274 HydrophobicContact CD1-CB 4.14Å
185	D	93.5	Very high	94.5	Very high	30 Å²	30	57.7 Å²	57.7	16%	0.16	31%	0.311	C	S	.	.	S	Bend	trans	-79.1	-27.1	174.6	66.7	-48.4	0	0	0	112.6	R183 P277 T278	R183-D185 VanDerWaalsContact C-N 3.3Å; R183-D185 PolarHBondContact O-N 2.82Å; D185-P277 WeakPolarHBondContact OD2-CA 3.37Å; D185-T278 PolarHBondContact OD1-N 3.38Å; D185-T278 PolarHBondContact OD1-OG1 2.92Å; D185-T278 PolarHBondContact OD2-N 2.93Å
186	Q	93.6	Very high	94.6	Very high	91 Å²	91	60.3 Å²	60.3	43%	0.425	32%	0.319	S	S	.	.	S	Bend	trans	-138.8	68.6	-179.7	-62.5	-174	5.3	0	0	111.3	R183 F188 N321	R183-Q186 CarbonylContact O-C 3.45Å; R183-Q186 PolarHBondContact O-N 3.22Å; Q186-F188 PolarHBondContact O-N 2.93Å; Q186-N321 PolarHBondContact OE1-ND2 2.7Å
187	P	95.7	Very high	95	Very high	54 Å²	54	57 Å²	57	35%	0.351	31%	0.308	S	S	.	.			trans	-69.1	132.5	-174.1	26.6	-34.1	0	0	0	111.3	R183 L191	R183-P187 WeakPolarHBondContact O-CA 3.37Å; P187-L191 HydrophobicContact CB-CD2 4.04Å; P187-L191 HydrophobicContact CB-CG 4.28Å
188	F	96.6	Very high	95.4	Very high	24 Å²	24	50.8 Å²	50.8	11%	0.105	27%	0.273	C	S	.	.			trans	-71.4	163.5	170.3	54.1	-89.8	0	0	0	111.1	R183 Q186 E190 L191 K192 V324 I344 Y345 K348	R183-F188 HydrophobicContact CB-CD1 4.29Å; R183-F188 HydrophobicContact CB-CE1 4.41Å; R183-F188 HydrophobicContact CG-CD1 4.33Å; R183-F188 HydrophobicContact CG-CE1 4.41Å; Q186-F188 PolarHBondContact O-N 2.93Å; F188-E190 VanDerWaalsContact C-N 3.35Å; F188-E190 HydrophobicContact CD2-CB 3.99Å; F188-E190 WeakPolarHBondContact CD2-OE2 3.47Å; F188-E190 HydrophobicContact CE2-CB 4.02Å; F188-E190 PolarHBondContact O-N 3.15Å; F188-L191 HydrophobicContact CD1-CB 4.11Å; F188-L191 HydrophobicContact CD1-CD2 4.29Å; F188-L191 HydrophobicContact CD2-CB 3.81Å; F188-L191 HydrophobicContact CE1-CB 3.9Å; F188-L191 HydrophobicContact CE1-CD2 3.91Å; F188-L191 HydrophobicContact CE2-CB 3.6Å; F188-L191 HydrophobicContact CG-CB 4.08Å; F188-L191 HydrophobicContact CZ-CB 3.64Å; F188-L191 HydrophobicContact CZ-CD2 4.32Å; F188-L191 HydrophobicContact CZ-CG 4.5Å; F188-L191 PolarHBondContact O-N 3.43Å; F188-K192 PolarHBondContact O-N 3.46Å; F188-V324 HydrophobicContact CD1-CG2 4.32Å; F188-V324 HydrophobicContact CE1-CG2 4.37Å; F188-I344 HydrophobicContact CE2-CG2 3.58Å; F188-I344 HydrophobicContact CZ-CG2 3.91Å; F188-Y345 HydrophobicContact CE1-CD1 4.19Å; F188-Y345 HydrophobicContact CE1-CE1 4.08Å; F188-Y345 HydrophobicContact CZ-CD1 4.23Å; F188-Y345 HydrophobicContact CZ-CE1 4.38Å; F188-Y345 HydrophobicContact CZ-CG 4.4Å; F188-K348 HydrophobicContact CD1-CG 4.16Å; F188-K348 HydrophobicContact CD2-CB 4.16Å; F188-K348 HydrophobicContact CD2-CD 4.14Å; F188-K348 HydrophobicContact CD2-CG 3.86Å; F188-K348 HydrophobicContact CE1-CG 4.17Å; F188-K348 HydrophobicContact CE2-CB 3.68Å; F188-K348 HydrophobicContact CE2-CG 3.83Å; F188-K348 HydrophobicContact CG-CD 4.32Å; F188-K348 HydrophobicContact CG-CG 4.01Å; F188-K348 HydrophobicContact CZ-CB 3.88Å; F188-K348 HydrophobicContact CZ-CG 4Å
189	A	96.3	Very high	95.7	Very high	61 Å²	61	53.6 Å²	53.6	50%	0.504	28%	0.283	S	S	.	.	H	α-helix	trans	-57.1	-45.3	-167.7	0	0	0	0	0	113	K192 N193	A189-K192 PolarHBondContact O-N 2.87Å; A189-N193 WeakPolarHBondContact O-CB 3.47Å; A189-N193 PolarHBondContact O-N 2.97Å; A189-N193 PolarHBondContact O-ND2 3.26Å; A189-N193 PolarHBondContact O-OD1 3.39Å
190	E	97.6	Very high	95.8	Very high	74 Å²	74	50 Å²	50	35%	0.346	26%	0.264	S	S	.	.	H	α-helix	trans	-64.5	-43.5	-180	-61.8	81.3	176.8	0	0	111.5	F188 N193 H194 I344	F188-E190 VanDerWaalsContact C-N 3.35Å; F188-E190 HydrophobicContact CD2-CB 3.99Å; F188-E190 WeakPolarHBondContact CD2-OE2 3.47Å; F188-E190 HydrophobicContact CE2-CB 4.02Å; F188-E190 PolarHBondContact O-N 3.15Å; E190-N193 PolarHBondContact O-N 2.88Å; E190-H194 WeakPolarHBondContact O-CB 3.18Å; E190-H194 PolarHBondContact O-N 3.41Å; E190-I344 HydrophobicContact CB-CG2 4.13Å
191	L	97.6	Very high	95.6	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-63.2	-43.7	175.3	178.4	60	0	0	0	111.2	R183 P187 F188 H194 I195 L341 I344 Y345	R183-L191 HydrophobicContact CB-CD2 4.32Å; P187-L191 HydrophobicContact CB-CD2 4.04Å; P187-L191 HydrophobicContact CB-CG 4.28Å; F188-L191 HydrophobicContact CD1-CB 4.11Å; F188-L191 HydrophobicContact CD1-CD2 4.29Å; F188-L191 HydrophobicContact CD2-CB 3.81Å; F188-L191 HydrophobicContact CE1-CB 3.9Å; F188-L191 HydrophobicContact CE1-CD2 3.91Å; F188-L191 HydrophobicContact CE2-CB 3.6Å; F188-L191 HydrophobicContact CG-CB 4.08Å; F188-L191 HydrophobicContact CZ-CB 3.64Å; F188-L191 HydrophobicContact CZ-CD2 4.32Å; F188-L191 HydrophobicContact CZ-CG 4.5Å; F188-L191 PolarHBondContact O-N 3.43Å; L191-H194 PolarHBondContact O-N 3.16Å; L191-I195 HydrophobicContact CD1-CD1 4.06Å; L191-I195 HydrophobicContact CD1-CG1 4.26Å; L191-I195 HydrophobicContact CG-CD1 3.82Å; L191-I195 HydrophobicContact CG-CG1 4.49Å; L191-I195 WeakPolarHBondContact O-CD1 3.4Å; L191-I195 VanDerWaalsContact O-CG1 3.26Å; L191-I195 WeakPolarHBondContact O-CG1 3.36Å; L191-I195 PolarHBondContact O-N 2.98Å; L191-L341 HydrophobicContact CD1-CD1 4.14Å; L191-I344 HydrophobicContact CB-CG2 4.45Å; L191-Y345 HydrophobicContact CD1-CE2 3.96Å; L191-Y345 HydrophobicContact CD2-CE1 4.47Å; L191-Y345 WeakPolarHBondContact CD2-OH 3.49Å
192	K	97.1	Very high	95.3	Very high	102 Å²	102	56.4 Å²	56.4	44%	0.443	31%	0.309	S	S	.	.	H	α-helix	trans	-60.6	-46.4	176.9	-172.8	178.9	-178.5	178.8	0	111.6	F188 A189 H194 I195 Q196	F188-K192 PolarHBondContact O-N 3.46Å; A189-K192 PolarHBondContact O-N 2.87Å; K192-H194 VanDerWaalsContact C-N 3.3Å; K192-H194 PolarHBondContact O-N 3.28Å; K192-I195 PolarHBondContact O-N 3.27Å; K192-Q196 WeakPolarHBondContact O-CB 3.34Å; K192-Q196 VanDerWaalsContact O-CG 3.25Å; K192-Q196 WeakPolarHBondContact O-CG 3.47Å; K192-Q196 PolarHBondContact O-N 3.47Å
193	N	97.4	Very high	95.1	Very high	100 Å²	100	57.9 Å²	57.9	54%	0.535	32%	0.316	S	S	.	.	H	α-helix	trans	-61.8	-40.5	176.9	-67.3	-19.8	0	0	0	111.4	A189 E190 Q196 S197	A189-N193 WeakPolarHBondContact O-CB 3.47Å; A189-N193 PolarHBondContact O-N 2.97Å; A189-N193 PolarHBondContact O-ND2 3.26Å; A189-N193 PolarHBondContact O-OD1 3.39Å; E190-N193 PolarHBondContact O-N 2.88Å; N193-Q196 PolarHBondContact O-N 2.85Å; N193-S197 PolarHBondContact O-N 3.1Å; N193-S197 VanDerWaalsContact O-N 3.1Å
194	H	97.1	Very high	94.8	Very high	28 Å²	28	59 Å²	59	13%	0.13	33%	0.334	C	S	.	.	H	α-helix	trans	-66.5	-46.3	177.6	-175.6	67.6	0	0	0	112.1	E190 L191 K192 Q196 S197 Y198 I344	E190-H194 WeakPolarHBondContact O-CB 3.18Å; E190-H194 PolarHBondContact O-N 3.41Å; L191-H194 PolarHBondContact O-N 3.16Å; K192-H194 VanDerWaalsContact C-N 3.3Å; K192-H194 PolarHBondContact O-N 3.28Å; H194-Q196 VanDerWaalsContact C-N 3.28Å; H194-Q196 PolarHBondContact O-N 2.74Å; H194-S197 WeakPolarHBondContact O-CB 3.44Å; H194-S197 PolarHBondContact O-N 2.99Å; H194-S197 VanDerWaalsContact O-N 3.1Å; H194-S197 PolarHBondContact O-OG 2.92Å; H194-Y198 AromaticContact CE1-CE2 3.64Å; H194-Y198 AromaticContact NE2-CE2 3.55Å; H194-Y198 VanDerWaalsContact O-CD2 3.32Å; H194-Y198 WeakPolarHBondContact O-CD2 3.35Å; H194-I344 HydrophobicContact CB-CD1 3.39Å; H194-I344 VanDerWaalsContact CD2-CD1 3.42Å; H194-I344 WeakPolarHBondContact CD2-CD1 3.41Å; H194-I344 WeakPolarHBondContact ND1-CD1 3.37Å
195	I	96.8	Very high	94.6	Very high	7 Å²	7	63.7 Å²	63.7	4%	0.036	35%	0.354	C	S	.	.	H	α-helix	trans	-53.6	-50.2	172.3	-67.5	157.8	0	0	0	109.2	L191 K192 S197 Y198 I215 A218 K219	L191-I195 HydrophobicContact CD1-CD1 4.06Å; L191-I195 HydrophobicContact CD1-CG1 4.26Å; L191-I195 HydrophobicContact CG-CD1 3.82Å; L191-I195 HydrophobicContact CG-CG1 4.49Å; L191-I195 WeakPolarHBondContact O-CD1 3.4Å; L191-I195 VanDerWaalsContact O-CG1 3.26Å; L191-I195 WeakPolarHBondContact O-CG1 3.36Å; L191-I195 PolarHBondContact O-N 2.98Å; K192-I195 PolarHBondContact O-N 3.27Å; I195-S197 PolarHBondContact O-N 2.84Å; I195-S197 VanDerWaalsContact O-N 3.13Å; I195-Y198 PolarHBondContact O-N 3.21Å; I195-Y198 VanDerWaalsContact O-N 3.09Å; I195-I215 HydrophobicContact CG1-CD1 4.12Å; I195-A218 HydrophobicContact CD1-CB 3.66Å; I195-A218 HydrophobicContact CG1-CB 3.81Å; I195-A218 HydrophobicContact CG2-CB 3.94Å; I195-K219 HydrophobicContact CG2-CD 4.16Å; I195-K219 HydrophobicContact CG2-CG 4.42Å; I195-K219 WeakPolarHBondContact O-CE 3.4Å; I195-K219 PolarHBondContact O-NZ 3.09Å
196	Q	95.6	Very high	94.5	Very high	104 Å²	104	69.5 Å²	69.5	49%	0.486	38%	0.378	S	S	.	.	H	α-helix	trans	-58	-29.9	-179.6	-73.9	175.5	-6.3	0	0	114.1	K192 N193 H194 Y198	K192-Q196 WeakPolarHBondContact O-CB 3.34Å; K192-Q196 VanDerWaalsContact O-CG 3.25Å; K192-Q196 WeakPolarHBondContact O-CG 3.47Å; K192-Q196 PolarHBondContact O-N 3.47Å; N193-Q196 PolarHBondContact O-N 2.85Å; H194-Q196 VanDerWaalsContact C-N 3.28Å; H194-Q196 PolarHBondContact O-N 2.74Å; Q196-Y198 PolarHBondContact O-N 3.15Å
197	S	95.8	Very high	94.5	Very high	87 Å²	87	69.1 Å²	69.1	61%	0.608	38%	0.379	S	S	*	.	H	α-helix	trans	-66.7	-18.4	178.6	75.6	0	0	0	0	114.7	N193 H194 I195	N193-S197 PolarHBondContact O-N 3.1Å; N193-S197 VanDerWaalsContact O-N 3.1Å; H194-S197 WeakPolarHBondContact O-CB 3.44Å; H194-S197 PolarHBondContact O-N 2.99Å; H194-S197 VanDerWaalsContact O-N 3.1Å; H194-S197 PolarHBondContact O-OG 2.92Å; I195-S197 PolarHBondContact O-N 2.84Å; I195-S197 VanDerWaalsContact O-N 3.13Å
198	Y	95.4	Very high	94.5	Very high	29 Å²	29	66.7 Å²	66.7	11%	0.114	36%	0.363	C	S	.	.			trans	-84.8	130.2	177.4	-74.6	-99.7	0	0	0	112.1	H194 I195 Q196 M203 T211 I215 K219 K337	H194-Y198 AromaticContact CE1-CE2 3.64Å; H194-Y198 AromaticContact NE2-CE2 3.55Å; H194-Y198 VanDerWaalsContact O-CD2 3.32Å; H194-Y198 WeakPolarHBondContact O-CD2 3.35Å; I195-Y198 PolarHBondContact O-N 3.21Å; I195-Y198 VanDerWaalsContact O-N 3.09Å; Q196-Y198 PolarHBondContact O-N 3.15Å; Y198-M203 HydrophobicContact CD1-CE 4.11Å; Y198-T211 HydrophobicContact CD1-CG2 4.08Å; Y198-T211 HydrophobicContact CE1-CG2 4.09Å; Y198-I215 HydrophobicContact CD1-CG2 3.9Å; Y198-I215 HydrophobicContact CD2-CD1 4.41Å; Y198-I215 HydrophobicContact CD2-CG1 4.46Å; Y198-I215 HydrophobicContact CD2-CG2 3.72Å; Y198-I215 HydrophobicContact CE1-CG2 4.33Å; Y198-I215 HydrophobicContact CE2-CD1 4.17Å; Y198-I215 HydrophobicContact CE2-CG1 4.13Å; Y198-I215 HydrophobicContact CE2-CG2 4.18Å; Y198-I215 HydrophobicContact CG-CG2 3.58Å; Y198-K219 WeakPolarHBondContact O-CE 3.4Å; Y198-K219 PolarHBondContact O-NZ 2.9Å; Y198-K337 HydrophobicContact CE1-CD 4.2Å
199	D	94.5	Very high	94.4	Very high	98 Å²	98	66.7 Å²	66.7	52%	0.524	37%	0.366	S	S	.	.			trans	-112.1	97.1	167.6	178.5	8.2	0	0	0	109.4	E201 G202 M203	D199-E201 VanDerWaalsContact C-N 3.26Å; D199-E201 PolarHBondContact O-N 3.17Å; D199-E201 PolarHBondContact OD1-N 3.33Å; D199-E201 VanDerWaalsContact OD1-N 3.08Å; D199-G202 PolarHBondContact OD1-N 2.84Å; D199-G202 VanDerWaalsContact OD1-N 3.08Å; D199-G202 WeakPolarHBondContact OD2-CA 3.5Å; D199-G202 PolarHBondContact OD2-N 3.45Å; D199-M203 WeakPolarHBondContact O-CB 3.39Å; D199-M203 VanDerWaalsContact O-CE 3.24Å; D199-M203 WeakPolarHBondContact O-CE 3.31Å; D199-M203 WeakPolarHBondContact O-CG 3.31Å; D199-M203 PolarHBondContact O-N 2.8Å
200	L	92.9	Very high	94.3	Very high	19 Å²	19	67.1 Å²	67.1	10%	0.099	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-25.1	-179.7	-65.3	-176.6	0	0	0	112.6	M203 H208 T211 K219 Y220	L200-M203 HydrophobicContact CD2-CE 3.67Å; L200-M203 HydrophobicContact CD2-SD 3.8Å; L200-M203 WeakPolarHBondContact O-CG 3.35Å; L200-H208 PolarHBondContact O-CD2 3.04Å; L200-T211 HydrophobicContact CD2-CG2 4.1Å; L200-K219 HydrophobicContact CD1-CB 3.58Å; L200-K219 HydrophobicContact CD1-CG 3.84Å; L200-K219 HydrophobicContact CG-CB 4.38Å; L200-K219 HydrophobicContact CG-CG 4.13Å; L200-Y220 HydrophobicContact CD1-CD2 4.5Å; L200-Y220 HydrophobicContact CD1-CE2 3.91Å
201	E	89.6	Confident	94.3	Very high	179 Å²	179	63.6 Å²	63.6	84%	0.836	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-33.5	-176.7	-62.1	-176.3	178.2	0	0	111.5	D199	D199-E201 VanDerWaalsContact C-N 3.26Å; D199-E201 PolarHBondContact O-N 3.17Å; D199-E201 PolarHBondContact OD1-N 3.33Å; D199-E201 VanDerWaalsContact OD1-N 3.08Å
202	G	88.6	Confident	94.3	Very high	61 Å²	61	63.6 Å²	63.6	63%	0.629	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-7.4	-178.8	0	0	0	0	0	116	D199	D199-G202 PolarHBondContact OD1-N 2.84Å; D199-G202 VanDerWaalsContact OD1-N 3.08Å; D199-G202 WeakPolarHBondContact OD2-CA 3.5Å; D199-G202 PolarHBondContact OD2-N 3.45Å
203	M	92.2	Very high	94.3	Very high	39 Å²	39	59 Å²	59	19%	0.192	32%	0.321	C	S	.	.	S	Bend	trans	-79.9	148.3	-175.5	57.2	175.4	54.7	0	0	113.8	Y198 D199 L200 D207 H208	Y198-M203 HydrophobicContact CD1-CE 4.11Å; D199-M203 WeakPolarHBondContact O-CB 3.39Å; D199-M203 VanDerWaalsContact O-CE 3.24Å; D199-M203 WeakPolarHBondContact O-CE 3.31Å; D199-M203 WeakPolarHBondContact O-CG 3.31Å; D199-M203 PolarHBondContact O-N 2.8Å; L200-M203 HydrophobicContact CD2-CE 3.67Å; L200-M203 HydrophobicContact CD2-SD 3.8Å; L200-M203 WeakPolarHBondContact O-CG 3.35Å; M203-D207 HydrophobicContact CB-CB 4.3Å; M203-H208 HydrophobicContact CG-CB 3.94Å; M203-H208 WeakPolarHBondContact SD-CA 3.36Å; M203-H208 HydrophobicContact SD-CB 3.77Å
204	G	92.1	Very high	94.3	Very high	44 Å²	44	54.2 Å²	54.2	45%	0.454	30%	0.295	S	S	.	.			trans	-67.7	155	175	0	0	0	0	0	112.3	K206 D207 H208	G204-K206 VanDerWaalsContact C-N 3.28Å; G204-K206 PolarHBondContact O-N 3.1Å; G204-K206 VanDerWaalsContact O-N 3.13Å; G204-D207 PolarHBondContact O-N 2.77Å; G204-H208 PolarHBondContact O-N 3.45Å
205	K	90.6	Very high	94.3	Very high	107 Å²	107	52.9 Å²	52.9	47%	0.465	29%	0.289	S	S	.	.	H	α-helix	trans	-47	-46.9	-177.6	-177.7	177.6	179.2	174.8	0	113.4	D207 H208 S209 L251 E259	K205-D207 PolarHBondContact O-N 2.91Å; K205-H208 PolarHBondContact O-N 3.34Å; K205-S209 PolarHBondContact O-N 3.29Å; K205-S209 VanDerWaalsContact O-N 3.1Å; K205-S209 PolarHBondContact O-OG 3.17Å; K205-S209 VanDerWaalsContact O-OG 3.06Å; K205-L251 HydrophobicContact CB-CD1 4.26Å; K205-L251 HydrophobicContact CG-CD1 4.24Å; K205-E259 WeakPolarHBondContact CE-OE2 3.46Å; K205-E259 IonicContact NZ-OE1 2.74Å; K205-E259 PolarHBondContact NZ-OE1 2.91Å; K205-E259 IonicContact NZ-OE2 3.69Å; K205-E259 PolarHBondContact NZ-OE2 3.3Å
206	K	91.4	Very high	94.4	Very high	152 Å²	152	52.5 Å²	52.5	66%	0.661	29%	0.287	S	S	*	.	H	α-helix	trans	-62.5	-45.1	179.8	-171.4	-173.8	176.7	-166.5	0	111.6	G204 H208 H210	G204-K206 VanDerWaalsContact C-N 3.28Å; G204-K206 PolarHBondContact O-N 3.1Å; G204-K206 VanDerWaalsContact O-N 3.13Å; K206-H208 VanDerWaalsContact C-N 3.3Å; K206-H208 PolarHBondContact O-N 3.26Å; K206-H210 PolarHBondContact O-N 3.48Å; K206-H210 PolarHBondContact O-ND1 3.44Å
207	D	92.8	Very high	94.5	Very high	82 Å²	82	47.6 Å²	47.6	44%	0.439	26%	0.264	S	S	.	.	H	α-helix	trans	-68.7	-33.9	-178.8	-69.3	-44.1	0	0	0	111.8	M203 G204 K205 H210 T211 K337	M203-D207 HydrophobicContact CB-CB 4.3Å; G204-D207 PolarHBondContact O-N 2.77Å; K205-D207 PolarHBondContact O-N 2.91Å; D207-H210 PolarHBondContact O-N 3.37Å; D207-T211 PolarHBondContact O-N 3.49Å; D207-T211 PolarHBondContact O-OG1 2.83Å; D207-K337 PolarHBondContact O-NZ 2.87Å; D207-K337 IonicContact OD1-NZ 3.14Å
208	H	95.9	Very high	94.5	Very high	3 Å²	3	43.7 Å²	43.7	1%	0.014	24%	0.237	C	C	.	.	H	α-helix	trans	-61.5	-52	174.6	-167.4	-94.3	0	0	0	112.4	L200 M203 G204 K205 K206 H210 T211 G249 L251 E261 N263 F264	L200-H208 PolarHBondContact O-CD2 3.04Å; M203-H208 HydrophobicContact CG-CB 3.94Å; M203-H208 WeakPolarHBondContact SD-CA 3.36Å; M203-H208 HydrophobicContact SD-CB 3.77Å; G204-H208 PolarHBondContact O-N 3.45Å; K205-H208 PolarHBondContact O-N 3.34Å; K206-H208 VanDerWaalsContact C-N 3.3Å; K206-H208 PolarHBondContact O-N 3.26Å; H208-H210 PolarHBondContact O-N 2.96Å; H208-T211 PolarHBondContact O-N 2.95Å; H208-G249 PolarHBondContact CE1-O 2.81Å; H208-L251 HydrophobicContact CB-CD1 3.92Å; H208-E261 IonicContact CE1-OE1 2.65Å; H208-E261 IonicContact CE1-OE2 3.64Å; H208-E261 PolarHBondContact CE1-OE2 3.47Å; H208-E261 IonicContact CG-OE1 3.45Å; H208-E261 VanDerWaalsContact ND1-CD 3.26Å; H208-E261 IonicContact ND1-OE1 3.85Å; H208-E261 PolarHBondContact ND1-OE1 3.04Å; H208-E261 IonicContact ND1-OE2 3.5Å; H208-E261 PolarHBondContact ND1-OE2 3.32Å; H208-E261 VanDerWaalsContact ND1-OE2 3.07Å; H208-N263 PolarHBondContact O-ND2 3.26Å; H208-F264 AromaticContact CE1-CE2 3.09Å; H208-F264 WeakPolarHBondContact CE1-CE2 3.41Å; H208-F264 AromaticContact CE1-CZ 3.09Å; H208-F264 WeakPolarHBondContact CE1-CZ 3.27Å; H208-F264 AromaticContact ND1-CE2 3.48Å; H208-F264 WeakPolarHBondContact ND1-CE2 3.43Å; H208-F264 AromaticContact ND1-CZ 3.93Å; H208-F264 AromaticContact NE2-CE2 3.68Å; H208-F264 AromaticContact NE2-CZ 3.3Å; H208-F264 VanDerWaalsContact NE2-CZ 3.3Å; H208-F264 WeakPolarHBondContact NE2-CZ 3.42Å
209	S	94.8	Very high	94.6	Very high	25 Å²	25	44.1 Å²	44.1	18%	0.175	24%	0.24	C	C	.	.	H	α-helix	trans	-73.1	-9.6	-178.8	-42	0	0	0	0	114.4	K205 E261 N263	K205-S209 PolarHBondContact O-N 3.29Å; K205-S209 VanDerWaalsContact O-N 3.1Å; K205-S209 PolarHBondContact O-OG 3.17Å; K205-S209 VanDerWaalsContact O-OG 3.06Å; S209-E261 WeakPolarHBondContact CA-OE1 3.31Å; S209-E261 WeakPolarHBondContact CB-OE1 3.49Å; S209-E261 PolarHBondContact N-OE1 3.21Å; S209-E261 PolarHBondContact OG-OE1 3.46Å; S209-N263 VanDerWaalsContact C-ND2 3.34Å; S209-N263 PolarHBondContact O-ND2 3.1Å; S209-N263 PolarHBondContact O-OD1 3.34Å
210	H	94.8	Very high	94.7	Very high	70 Å²	70	40.8 Å²	40.8	32%	0.324	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114	21.8	176	-62.4	98.7	0	0	0	112.5	K206 D207 H208 A333 D334	K206-H210 PolarHBondContact O-N 3.48Å; K206-H210 PolarHBondContact O-ND1 3.44Å; D207-H210 PolarHBondContact O-N 3.37Å; H208-H210 PolarHBondContact O-N 2.96Å; H210-A333 WeakPolarHBondContact O-CA 3.41Å; H210-D334 HydrophobicContact CB-CB 4.01Å; H210-D334 PolarHBondContact O-N 3.33Å
211	T	96.8	Very high	94.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.217	C	C	.	.	S	Bend	trans	-84.9	132	174.3	-67.8	0	0	0	0	110.3	Y198 L200 D207 H208 W213 I215 I216 N263 K337	Y198-T211 HydrophobicContact CD1-CG2 4.08Å; Y198-T211 HydrophobicContact CE1-CG2 4.09Å; L200-T211 HydrophobicContact CD2-CG2 4.1Å; D207-T211 PolarHBondContact O-N 3.49Å; D207-T211 PolarHBondContact O-OG1 2.83Å; H208-T211 PolarHBondContact O-N 2.95Å; T211-W213 PolarHBondContact O-N 3.06Å; T211-I215 HydrophobicContact CG2-CB 3.98Å; T211-I215 HydrophobicContact CG2-CG2 3.93Å; T211-I216 HydrophobicContact CG2-CG1 4.19Å; T211-N263 PolarHBondContact N-ND2 2.74Å; T211-N263 PolarHBondContact O-ND2 3.13Å; T211-K337 PolarHBondContact OG1-NZ 2.79Å
212	P	97.8	Very high	95	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.192	C	C	.	.			trans	-51.8	134.9	177.5	-26.7	32.8	0	0	0	112.9	I214 I215 I216 M331 A333 K337 L341	P212-I214 PolarHBondContact O-N 3.42Å; P212-I215 HydrophobicContact CB-CG1 4.11Å; P212-I215 HydrophobicContact CG-CG1 4.36Å; P212-I215 WeakPolarHBondContact O-CB 3.36Å; P212-I215 PolarHBondContact O-N 3.17Å; P212-I216 PolarHBondContact O-N 2.73Å; P212-M331 HydrophobicContact CB-CG 4.46Å; P212-M331 HydrophobicContact CB-SD 3.59Å; P212-M331 VanDerWaalsContact CB-SD 3.59Å; P212-A333 HydrophobicContact CB-CB 4.24Å; P212-A333 HydrophobicContact CG-CB 3.74Å; P212-K337 HydrophobicContact CG-CB 4.09Å; P212-L341 HydrophobicContact CB-CD2 3.88Å; P212-L341 HydrophobicContact CG-CD2 4.31Å
213	W	97.6	Very high	95.3	Very high	4 Å²	4	36.2 Å²	36.2	2%	0.015	18%	0.181	C	C	.	.	H	α-helix	trans	-61.7	-29.5	-177.1	75.5	-106.3	0	0	0	112.8	L182 T211 I215 I216 V217 E266 A267 N270 A274 P329 M331	L182-W213 HydrophobicContact CD1-CH2 3.5Å; L182-W213 VanDerWaalsContact CD1-CH2 3.5Å; L182-W213 HydrophobicContact CD1-CZ2 4.26Å; L182-W213 HydrophobicContact CD1-CZ3 4.29Å; T211-W213 PolarHBondContact O-N 3.06Å; W213-I215 VanDerWaalsContact C-N 3.28Å; W213-I215 PolarHBondContact O-N 2.87Å; W213-I216 WeakPolarHBondContact O-CB 3.49Å; W213-I216 PolarHBondContact O-N 2.62Å; W213-V217 HydrophobicContact CE3-CB 4.46Å; W213-V217 HydrophobicContact CE3-CG2 3.71Å; W213-V217 HydrophobicContact CZ3-CG2 3.98Å; W213-V217 WeakPolarHBondContact O-CG2 3.08Å; W213-V217 PolarHBondContact O-N 3.2Å; W213-E266 HydrophobicContact CB-CB 4.31Å; W213-E266 HydrophobicContact CB-CG 4.34Å; W213-E266 HydrophobicContact CG-CG 4.04Å; W213-A267 HydrophobicContact CB-CB 3.91Å; W213-N270 HydrophobicContact CD2-CB 4.16Å; W213-N270 HydrophobicContact CE3-CB 3.82Å; W213-N270 HydrophobicContact CH2-CB 3.52Å; W213-N270 HydrophobicContact CZ2-CB 3.85Å; W213-N270 HydrophobicContact CZ3-CB 3.51Å; W213-A274 HydrophobicContact CH2-CB 3.77Å; W213-A274 HydrophobicContact CZ3-CB 3.59Å; W213-P329 HydrophobicContact CZ2-CG 4.2Å; W213-M331 HydrophobicContact CG-SD 4.42Å
214	I	97.8	Very high	95.4	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-57.8	-43	173.7	-67.5	178	0	0	0	110.4	L182 L184 P212 V217 A218 I328 M331 L341	L182-I214 HydrophobicContact CD2-CD1 3.78Å; L184-I214 HydrophobicContact CD2-CG2 3.91Å; P212-I214 PolarHBondContact O-N 3.42Å; I214-V217 PolarHBondContact O-N 3.41Å; I214-A218 VanDerWaalsContact O-CB 3.29Å; I214-A218 WeakPolarHBondContact O-CB 3.39Å; I214-A218 PolarHBondContact O-N 3.07Å; I214-I328 HydrophobicContact CD1-CB 4.25Å; I214-I328 HydrophobicContact CD1-CG2 4.25Å; I214-M331 HydrophobicContact CD1-CE 3.46Å; I214-M331 VanDerWaalsContact CD1-CE 3.46Å; I214-M331 HydrophobicContact CD1-SD 4.26Å; I214-M331 HydrophobicContact CG1-CE 3.85Å; I214-M331 HydrophobicContact CG1-SD 4.18Å; I214-L341 HydrophobicContact CB-CD2 4.07Å; I214-L341 HydrophobicContact CD1-CD2 4.23Å; I214-L341 HydrophobicContact CG2-CD2 4.3Å
215	I	97.6	Very high	95.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-68.5	-40.4	178.5	-60.2	-58.9	0	0	0	110.7	I195 Y198 T211 P212 W213 A218 K219 L341	I195-I215 HydrophobicContact CG1-CD1 4.12Å; Y198-I215 HydrophobicContact CD1-CG2 3.9Å; Y198-I215 HydrophobicContact CD2-CD1 4.41Å; Y198-I215 HydrophobicContact CD2-CG1 4.46Å; Y198-I215 HydrophobicContact CD2-CG2 3.72Å; Y198-I215 HydrophobicContact CE1-CG2 4.33Å; Y198-I215 HydrophobicContact CE2-CD1 4.17Å; Y198-I215 HydrophobicContact CE2-CG1 4.13Å; Y198-I215 HydrophobicContact CE2-CG2 4.18Å; Y198-I215 HydrophobicContact CG-CG2 3.58Å; T211-I215 HydrophobicContact CG2-CB 3.98Å; T211-I215 HydrophobicContact CG2-CG2 3.93Å; P212-I215 HydrophobicContact CB-CG1 4.11Å; P212-I215 HydrophobicContact CG-CG1 4.36Å; P212-I215 WeakPolarHBondContact O-CB 3.36Å; P212-I215 PolarHBondContact O-N 3.17Å; W213-I215 VanDerWaalsContact C-N 3.28Å; W213-I215 PolarHBondContact O-N 2.87Å; I215-A218 PolarHBondContact O-N 3.31Å; I215-K219 HydrophobicContact CG2-CG 4.37Å; I215-K219 WeakPolarHBondContact O-CB 3.39Å; I215-K219 WeakPolarHBondContact O-CG 3.34Å; I215-K219 PolarHBondContact O-N 3.02Å; I215-L341 HydrophobicContact CD1-CD1 4.07Å; I215-L341 HydrophobicContact CD1-CD2 4.48Å; I215-L341 HydrophobicContact CG1-CD2 4.36Å
216	I	97.6	Very high	95.5	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-57.2	-55.8	174.2	-66.9	168	0	0	0	109.5	T211 P212 W213 A218 K219 Y220 I246 N263 F264 A267	T211-I216 HydrophobicContact CG2-CG1 4.19Å; P212-I216 PolarHBondContact O-N 2.73Å; W213-I216 WeakPolarHBondContact O-CB 3.49Å; W213-I216 PolarHBondContact O-N 2.62Å; I216-A218 VanDerWaalsContact C-N 3.3Å; I216-A218 PolarHBondContact O-N 2.84Å; I216-K219 PolarHBondContact O-N 3.42Å; I216-Y220 HydrophobicContact CG2-CD2 3.78Å; I216-Y220 HydrophobicContact CG2-CE2 3.94Å; I216-Y220 VanDerWaalsContact O-CD2 3.23Å; I216-Y220 WeakPolarHBondContact O-CD2 3.48Å; I216-Y220 PolarHBondContact O-N 3.1Å; I216-I246 HydrophobicContact CG2-CG2 3.88Å; I216-N263 HydrophobicContact CD1-CB 4.15Å; I216-N263 WeakPolarHBondContact CD1-ND2 3.14Å; I216-F264 HydrophobicContact CD1-CD1 4.47Å; I216-F264 HydrophobicContact CD1-CD2 3.61Å; I216-F264 HydrophobicContact CD1-CE1 4.44Å; I216-F264 HydrophobicContact CD1-CE2 3.54Å; I216-F264 HydrophobicContact CD1-CG 4.06Å; I216-F264 HydrophobicContact CD1-CZ 3.97Å; I216-F264 HydrophobicContact CG1-CE2 4.14Å; I216-F264 HydrophobicContact CG1-CZ 4.11Å; I216-F264 HydrophobicContact CG2-CD1 3.97Å; I216-F264 HydrophobicContact CG2-CE1 3.82Å; I216-F264 HydrophobicContact CG2-CZ 4.22Å; I216-A267 HydrophobicContact CB-CB 4.11Å; I216-A267 HydrophobicContact CG2-CB 3.76Å
217	V	97.5	Very high	95.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-56.7	-46.6	179.5	174.3	0	0	0	0	110.5	L184 W213 I214 K219 Y220 L221 F242 I246 A267 L275	L184-V217 HydrophobicContact CD1-CB 4.21Å; L184-V217 HydrophobicContact CD1-CG1 3.75Å; W213-V217 HydrophobicContact CE3-CB 4.46Å; W213-V217 HydrophobicContact CE3-CG2 3.71Å; W213-V217 HydrophobicContact CZ3-CG2 3.98Å; W213-V217 WeakPolarHBondContact O-CG2 3.08Å; W213-V217 PolarHBondContact O-N 3.2Å; I214-V217 PolarHBondContact O-N 3.41Å; V217-K219 PolarHBondContact O-N 3.11Å; V217-Y220 PolarHBondContact O-N 3.06Å; V217-L221 WeakPolarHBondContact O-CB 3.45Å; V217-L221 PolarHBondContact O-N 3.21Å; V217-F242 HydrophobicContact CG1-CE1 4.2Å; V217-F242 HydrophobicContact CG1-CZ 4.36Å; V217-I246 HydrophobicContact CG2-CD1 4.31Å; V217-A267 HydrophobicContact CG2-CB 3.85Å; V217-L275 HydrophobicContact CG1-CD2 4.11Å
218	A	97	Very high	95.5	Very high	5 Å²	5	33 Å²	33	4%	0.041	16%	0.162	C	C	.	.	H	α-helix	trans	-58.3	-45.5	179.4	0	0	0	0	0	112.9	L184 I195 I214 I215 I216 L221 E222	L184-A218 HydrophobicContact CD2-CB 3.94Å; I195-A218 HydrophobicContact CD1-CB 3.66Å; I195-A218 HydrophobicContact CG1-CB 3.81Å; I195-A218 HydrophobicContact CG2-CB 3.94Å; I214-A218 VanDerWaalsContact O-CB 3.29Å; I214-A218 WeakPolarHBondContact O-CB 3.39Å; I214-A218 PolarHBondContact O-N 3.07Å; I215-A218 PolarHBondContact O-N 3.31Å; I216-A218 VanDerWaalsContact C-N 3.3Å; I216-A218 PolarHBondContact O-N 2.84Å; A218-L221 WeakPolarHBondContact O-CB 3.49Å; A218-L221 PolarHBondContact O-N 3.44Å; A218-E222 PolarHBondContact O-N 2.96Å
219	K	96.5	Very high	95.2	Very high	38 Å²	38	39.4 Å²	39.4	17%	0.165	20%	0.196	C	C	.	.	H	α-helix	trans	-64.7	-46.5	179.4	-76.5	-69.3	-177.3	-175.9	0	113.1	I195 Y198 L200 I215 I216 V217 L221 E222 K223	I195-K219 HydrophobicContact CG2-CD 4.16Å; I195-K219 HydrophobicContact CG2-CG 4.42Å; I195-K219 WeakPolarHBondContact O-CE 3.4Å; I195-K219 PolarHBondContact O-NZ 3.09Å; Y198-K219 WeakPolarHBondContact O-CE 3.4Å; Y198-K219 PolarHBondContact O-NZ 2.9Å; L200-K219 HydrophobicContact CD1-CB 3.58Å; L200-K219 HydrophobicContact CD1-CG 3.84Å; L200-K219 HydrophobicContact CG-CB 4.38Å; L200-K219 HydrophobicContact CG-CG 4.13Å; I215-K219 HydrophobicContact CG2-CG 4.37Å; I215-K219 WeakPolarHBondContact O-CB 3.39Å; I215-K219 WeakPolarHBondContact O-CG 3.34Å; I215-K219 PolarHBondContact O-N 3.02Å; I216-K219 PolarHBondContact O-N 3.42Å; V217-K219 PolarHBondContact O-N 3.11Å; K219-L221 PolarHBondContact O-N 3.42Å; K219-E222 PolarHBondContact O-N 3.44Å; K219-K223 PolarHBondContact O-N 3.29Å; K219-K223 VanDerWaalsContact O-N 3.13Å
220	Y	96.6	Very high	94.8	Very high	28 Å²	28	45.1 Å²	45.1	11%	0.11	22%	0.219	C	C	.	.	H	α-helix	trans	-67	-29.9	175.7	-76.6	-76.1	0	0	0	111.4	L200 I216 V217 K223 W224 F242 L245 I246 G249 F264	L200-Y220 HydrophobicContact CD1-CD2 4.5Å; L200-Y220 HydrophobicContact CD1-CE2 3.91Å; I216-Y220 HydrophobicContact CG2-CD2 3.78Å; I216-Y220 HydrophobicContact CG2-CE2 3.94Å; I216-Y220 VanDerWaalsContact O-CD2 3.23Å; I216-Y220 WeakPolarHBondContact O-CD2 3.48Å; I216-Y220 PolarHBondContact O-N 3.1Å; V217-Y220 PolarHBondContact O-N 3.06Å; Y220-K223 PolarHBondContact O-N 2.96Å; Y220-W224 WeakPolarHBondContact O-CB 3.19Å; Y220-W224 PolarHBondContact O-N 2.96Å; Y220-F242 WeakPolarHBondContact O-CE2 3.28Å; Y220-L245 HydrophobicContact CD1-CD2 4.34Å; Y220-L245 HydrophobicContact CD1-CG 3.94Å; Y220-I246 HydrophobicContact CD1-CG1 4.5Å; Y220-I246 HydrophobicContact CD2-CB 4.42Å; Y220-I246 HydrophobicContact CD2-CG1 3.94Å; Y220-I246 HydrophobicContact CD2-CG2 4.4Å; Y220-I246 HydrophobicContact CG-CB 4.48Å; Y220-I246 HydrophobicContact CG-CG1 3.78Å; Y220-G249 WeakPolarHBondContact OH-CA 3.24Å; Y220-F264 AromaticContact CE2-CE1 3.77Å; Y220-F264 HydrophobicContact CE2-CE1 3.77Å; Y220-F264 HydrophobicContact CE2-CZ 4.46Å
221	L	95.4	Very high	94.6	Very high	6 Å²	6	47.1 Å²	47.1	3%	0.031	23%	0.228	C	C	.	.	H	α-helix	trans	-67.1	-41.6	174.9	-164	67.5	0	0	0	111.5	L184 V217 A218 K219 K223 W224 F225 F232 P233 F242 L275	L184-L221 HydrophobicContact CB-CD2 4.47Å; V217-L221 WeakPolarHBondContact O-CB 3.45Å; V217-L221 PolarHBondContact O-N 3.21Å; A218-L221 WeakPolarHBondContact O-CB 3.49Å; A218-L221 PolarHBondContact O-N 3.44Å; K219-L221 PolarHBondContact O-N 3.42Å; L221-K223 VanDerWaalsContact C-N 3.33Å; L221-K223 PolarHBondContact O-N 3.22Å; L221-W224 PolarHBondContact O-N 2.97Å; L221-F225 WeakPolarHBondContact O-CB 3.3Å; L221-F225 PolarHBondContact O-N 3.46Å; L221-F232 HydrophobicContact CD1-CD1 3.55Å; L221-F232 HydrophobicContact CD1-CE1 4.13Å; L221-F232 HydrophobicContact CD1-CG 4.47Å; L221-F232 HydrophobicContact CD2-CD1 3.83Å; L221-F232 HydrophobicContact CD2-CE1 3.65Å; L221-F232 HydrophobicContact CD2-CZ 4.48Å; L221-F232 HydrophobicContact CG-CD1 3.58Å; L221-F232 HydrophobicContact CG-CE1 3.6Å; L221-P233 HydrophobicContact CD1-CG 4.38Å; L221-F242 HydrophobicContact CB-CE2 4.35Å; L221-F242 HydrophobicContact CB-CZ 4.07Å; L221-F242 HydrophobicContact CD1-CE2 4.1Å; L221-F242 HydrophobicContact CD1-CZ 3.98Å; L221-L275 HydrophobicContact CD1-CD1 4.47Å; L221-L275 HydrophobicContact CD1-CD2 3.76Å; L221-L275 HydrophobicContact CD2-CD2 3.88Å; L221-L275 HydrophobicContact CG-CD2 4.43Å
222	E	94	Very high	94.3	Very high	70 Å²	70	50.4 Å²	50.4	33%	0.327	24%	0.243	S	C	.	.	H	α-helix	trans	-59.7	-42.4	172.4	-71.1	-177.9	148.2	0	0	111.9	A218 K219 S226	A218-E222 PolarHBondContact O-N 2.96Å; K219-E222 PolarHBondContact O-N 3.44Å; E222-S226 PolarHBondContact O-N 3.33Å; E222-S226 VanDerWaalsContact O-N 3.09Å; E222-S226 PolarHBondContact O-OG 3.31Å
223	K	93.9	Very high	94.1	Very high	88 Å²	88	50.7 Å²	50.7	38%	0.383	24%	0.244	S	C	.	.	H	α-helix	trans	-63.1	-51.9	175.4	-178.7	174.5	-179.3	173	0	111.5	K219 Y220 L221 F225 S226 E227 L245	K219-K223 PolarHBondContact O-N 3.29Å; K219-K223 VanDerWaalsContact O-N 3.13Å; Y220-K223 PolarHBondContact O-N 2.96Å; L221-K223 VanDerWaalsContact C-N 3.33Å; L221-K223 PolarHBondContact O-N 3.22Å; K223-F225 VanDerWaalsContact C-N 3.3Å; K223-F225 PolarHBondContact O-N 3.32Å; K223-S226 PolarHBondContact O-N 2.92Å; K223-E227 WeakPolarHBondContact CE-OE1 3.44Å; K223-E227 WeakPolarHBondContact CG-OE1 3.38Å; K223-E227 WeakPolarHBondContact O-CG 3.29Å; K223-E227 PolarHBondContact O-N 2.9Å; K223-L245 HydrophobicContact CD-CD1 4.45Å
224	W	95.1	Very high	93.7	Very high	18 Å²	18	57.8 Å²	57.8	7%	0.068	28%	0.275	C	S	.	.	H	α-helix	trans	-56.7	-46.6	177.8	-179.5	-77.1	0	0	0	111.3	Y220 L221 S226 E227 H228 Q231 P233 E238 A241 F242 L245	Y220-W224 WeakPolarHBondContact O-CB 3.19Å; Y220-W224 PolarHBondContact O-N 2.96Å; L221-W224 PolarHBondContact O-N 2.97Å; W224-S226 VanDerWaalsContact C-N 3.28Å; W224-S226 PolarHBondContact O-N 3.31Å; W224-E227 PolarHBondContact O-N 3.44Å; W224-E227 VanDerWaalsContact O-N 3.16Å; W224-H228 AromaticContact CD1-ND1 3.94Å; W224-H228 AromaticContact CD2-CE1 3.75Å; W224-H228 AromaticContact CD2-ND1 3.62Å; W224-H228 AromaticContact CE2-CD2 3.91Å; W224-H228 AromaticContact CE2-CE1 3.83Å; W224-H228 AromaticContact CE2-CG 3.71Å; W224-H228 AromaticContact CE2-ND1 3.65Å; W224-H228 AromaticContact CE2-NE2 3.99Å; W224-H228 AromaticContact CE3-CE1 3.78Å; W224-H228 AromaticContact CG-ND1 3.82Å; W224-H228 AromaticContact CH2-CE1 4Å; W224-H228 AromaticContact CH2-NE2 3.77Å; W224-H228 AromaticContact CZ2-CD2 3.77Å; W224-H228 AromaticContact CZ2-CE1 3.98Å; W224-H228 AromaticContact CZ2-NE2 3.72Å; W224-H228 AromaticContact CZ3-CE1 3.91Å; W224-H228 AromaticContact NE1-CG 3.65Å; W224-H228 AromaticContact NE1-ND1 3.82Å; W224-H228 WeakPolarHBondContact O-CB 3.28Å; W224-H228 PolarHBondContact O-N 3.29Å; W224-H228 PolarHBondContact O-ND1 3.04Å; W224-Q231 VanDerWaalsContact CD1-O 3.24Å; W224-Q231 PolarHBondContact NE1-O 3.27Å; W224-P233 HydrophobicContact CD2-CG 4.06Å; W224-P233 HydrophobicContact CG-CG 4.15Å; W224-P233 HydrophobicContact CZ2-CG 4.34Å; W224-E238 HydrophobicContact CZ2-CB 4.25Å; W224-E238 HydrophobicContact CZ2-CG 4.44Å; W224-A241 HydrophobicContact CH2-CB 3.67Å; W224-A241 HydrophobicContact CZ3-CB 3.95Å; W224-F242 HydrophobicContact CB-CD2 3.94Å; W224-F242 HydrophobicContact CB-CE2 3.97Å; W224-F242 HydrophobicContact CD2-CB 4.5Å; W224-F242 AromaticContact CD2-CD2 3.92Å; W224-F242 HydrophobicContact CD2-CD2 3.92Å; W224-F242 HydrophobicContact CE3-CB 4.01Å; W224-F242 AromaticContact CE3-CD2 3.73Å; W224-F242 HydrophobicContact CE3-CD2 3.73Å; W224-F242 HydrophobicContact CE3-CG 4.38Å; W224-F242 HydrophobicContact CG-CD2 4.02Å; W224-F242 HydrophobicContact CG-CE2 4.47Å; W224-F242 HydrophobicContact CZ3-CB 4.03Å; W224-L245 HydrophobicContact CB-CD2 4.24Å; W224-L245 HydrophobicContact CE3-CD2 3.9Å
225	F	92.5	Very high	93.4	Very high	63 Å²	63	61.3 Å²	61.3	28%	0.276	29%	0.294	S	S	.	.	H	α-helix	trans	-58.7	-40.4	180	-170.4	-105.2	0	0	0	111.6	L221 K223 F230 F232	L221-F225 WeakPolarHBondContact O-CB 3.3Å; L221-F225 PolarHBondContact O-N 3.46Å; K223-F225 VanDerWaalsContact C-N 3.3Å; K223-F225 PolarHBondContact O-N 3.32Å; F225-F230 HydrophobicContact CD1-CB 4.26Å; F225-F230 AromaticContact CD1-CD1 3.65Å; F225-F230 HydrophobicContact CD1-CD1 3.65Å; F225-F230 HydrophobicContact CD1-CG 4.45Å; F225-F230 VanDerWaalsContact CD2-C 3.41Å; F225-F230 HydrophobicContact CD2-CB 4.44Å; F225-F230 HydrophobicContact CE1-CB 3.72Å; F225-F230 AromaticContact CE1-CD1 3.41Å; F225-F230 HydrophobicContact CE1-CD1 3.41Å; F225-F230 VanDerWaalsContact CE1-CD1 3.41Å; F225-F230 HydrophobicContact CE1-CE1 4.45Å; F225-F230 HydrophobicContact CE1-CG 4.03Å; F225-F230 HydrophobicContact CE2-CB 3.93Å; F225-F230 WeakPolarHBondContact CE2-O 3.42Å; F225-F230 HydrophobicContact CZ-CB 3.53Å; F225-F230 HydrophobicContact CZ-CD1 4.15Å; F225-F230 HydrophobicContact CZ-CG 4.32Å; F225-F230 WeakPolarHBondContact O-CA 3.38Å; F225-F230 PolarHBondContact O-N 3.16Å; F225-F232 HydrophobicContact CB-CE1 4.36Å; F225-F232 AromaticContact CD2-CD1 3.79Å; F225-F232 HydrophobicContact CD2-CD1 3.79Å; F225-F232 AromaticContact CD2-CE1 3.54Å; F225-F232 HydrophobicContact CD2-CE1 3.54Å; F225-F232 HydrophobicContact CD2-CE2 4.42Å; F225-F232 HydrophobicContact CD2-CG 4.34Å; F225-F232 AromaticContact CD2-CZ 3.9Å; F225-F232 HydrophobicContact CD2-CZ 3.9Å; F225-F232 HydrophobicContact CE2-CD1 4.43Å; F225-F232 HydrophobicContact CE2-CE1 4.06Å; F225-F232 HydrophobicContact CE2-CE2 4.16Å; F225-F232 AromaticContact CE2-CZ 3.92Å; F225-F232 HydrophobicContact CE2-CZ 3.92Å; F225-F232 HydrophobicContact CG-CE1 4.17Å
226	S	92.3	Very high	93.2	Very high	84 Å²	84	70 Å²	70	59%	0.587	33%	0.328	S	S	*	.	H	α-helix	trans	-70.1	-37	176.8	-56.2	0	0	0	0	112.8	E222 K223 W224	E222-S226 PolarHBondContact O-N 3.33Å; E222-S226 VanDerWaalsContact O-N 3.09Å; E222-S226 PolarHBondContact O-OG 3.31Å; K223-S226 PolarHBondContact O-N 2.92Å; W224-S226 VanDerWaalsContact C-N 3.28Å; W224-S226 PolarHBondContact O-N 3.31Å
227	E	93.3	Very high	93.1	Very high	111 Å²	111	78.1 Å²	78.1	52%	0.519	36%	0.364	S	S	.	.	H	α-helix	trans	-79.9	-23.3	-178.9	-69.5	173.7	-178.2	0	0	113.5	K223 W224	K223-E227 WeakPolarHBondContact CE-OE1 3.44Å; K223-E227 WeakPolarHBondContact CG-OE1 3.38Å; K223-E227 WeakPolarHBondContact O-CG 3.29Å; K223-E227 PolarHBondContact O-N 2.9Å; W224-E227 PolarHBondContact O-N 3.44Å; W224-E227 VanDerWaalsContact O-N 3.16Å
228	H	91.4	Very high	93	Very high	79 Å²	79	81.2 Å²	81.2	37%	0.366	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.8	45.1	-171.6	-63.6	76.8	0	0	0	113.1	W224 F230 Q231	W224-H228 AromaticContact CD1-ND1 3.94Å; W224-H228 AromaticContact CD2-CE1 3.75Å; W224-H228 AromaticContact CD2-ND1 3.62Å; W224-H228 AromaticContact CE2-CD2 3.91Å; W224-H228 AromaticContact CE2-CE1 3.83Å; W224-H228 AromaticContact CE2-CG 3.71Å; W224-H228 AromaticContact CE2-ND1 3.65Å; W224-H228 AromaticContact CE2-NE2 3.99Å; W224-H228 AromaticContact CE3-CE1 3.78Å; W224-H228 AromaticContact CG-ND1 3.82Å; W224-H228 AromaticContact CH2-CE1 4Å; W224-H228 AromaticContact CH2-NE2 3.77Å; W224-H228 AromaticContact CZ2-CD2 3.77Å; W224-H228 AromaticContact CZ2-CE1 3.98Å; W224-H228 AromaticContact CZ2-NE2 3.72Å; W224-H228 AromaticContact CZ3-CE1 3.91Å; W224-H228 AromaticContact NE1-CG 3.65Å; W224-H228 AromaticContact NE1-ND1 3.82Å; W224-H228 WeakPolarHBondContact O-CB 3.28Å; W224-H228 PolarHBondContact O-N 3.29Å; W224-H228 PolarHBondContact O-ND1 3.04Å; H228-F230 VanDerWaalsContact C-N 3.27Å; H228-F230 PolarHBondContact O-N 3.02Å; H228-Q231 PolarHBondContact O-N 3.12Å
229	N	88.6	Confident	92.9	Very high	138 Å²	138	82.4 Å²	82.4	74%	0.738	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	40.8	175	-60.6	-39.4	0	0	0	113.7	Q231	N229-Q231 VanDerWaalsContact C-N 3.34Å; N229-Q231 PolarHBondContact O-N 3.33Å
230	F	87.9	Confident	92.9	Very high	146 Å²	146	83.4 Å²	83.4	64%	0.64	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.5	39.7	178.2	-49.2	-71.1	0	0	0	113.2	F225 H228	F225-F230 HydrophobicContact CD1-CB 4.26Å; F225-F230 AromaticContact CD1-CD1 3.65Å; F225-F230 HydrophobicContact CD1-CD1 3.65Å; F225-F230 HydrophobicContact CD1-CG 4.45Å; F225-F230 VanDerWaalsContact CD2-C 3.41Å; F225-F230 HydrophobicContact CD2-CB 4.44Å; F225-F230 HydrophobicContact CE1-CB 3.72Å; F225-F230 AromaticContact CE1-CD1 3.41Å; F225-F230 HydrophobicContact CE1-CD1 3.41Å; F225-F230 VanDerWaalsContact CE1-CD1 3.41Å; F225-F230 HydrophobicContact CE1-CE1 4.45Å; F225-F230 HydrophobicContact CE1-CG 4.03Å; F225-F230 HydrophobicContact CE2-CB 3.93Å; F225-F230 WeakPolarHBondContact CE2-O 3.42Å; F225-F230 HydrophobicContact CZ-CB 3.53Å; F225-F230 HydrophobicContact CZ-CD1 4.15Å; F225-F230 HydrophobicContact CZ-CG 4.32Å; F225-F230 WeakPolarHBondContact O-CA 3.38Å; F225-F230 PolarHBondContact O-N 3.16Å; H228-F230 VanDerWaalsContact C-N 3.27Å; H228-F230 PolarHBondContact O-N 3.02Å
231	Q	89	Confident	92.8	Very high	111 Å²	111	84.2 Å²	84.2	52%	0.519	40%	0.4	S	S	.	.			trans	-121.1	135	175.1	-59.8	-167	4.4	0	0	111.9	W224 H228 N229	W224-Q231 VanDerWaalsContact CD1-O 3.24Å; W224-Q231 PolarHBondContact NE1-O 3.27Å; H228-Q231 PolarHBondContact O-N 3.12Å; N229-Q231 VanDerWaalsContact C-N 3.34Å; N229-Q231 PolarHBondContact O-N 3.33Å
232	F	90.9	Very high	92.9	Very high	70 Å²	70	83.9 Å²	83.9	31%	0.307	40%	0.398	S	S	.	.			trans	-78.5	155.1	172.3	-63.1	-55.5	0	0	0	112.1	L221 F225 K234	L221-F232 HydrophobicContact CD1-CD1 3.55Å; L221-F232 HydrophobicContact CD1-CE1 4.13Å; L221-F232 HydrophobicContact CD1-CG 4.47Å; L221-F232 HydrophobicContact CD2-CD1 3.83Å; L221-F232 HydrophobicContact CD2-CE1 3.65Å; L221-F232 HydrophobicContact CD2-CZ 4.48Å; L221-F232 HydrophobicContact CG-CD1 3.58Å; L221-F232 HydrophobicContact CG-CE1 3.6Å; F225-F232 HydrophobicContact CB-CE1 4.36Å; F225-F232 AromaticContact CD2-CD1 3.79Å; F225-F232 HydrophobicContact CD2-CD1 3.79Å; F225-F232 AromaticContact CD2-CE1 3.54Å; F225-F232 HydrophobicContact CD2-CE1 3.54Å; F225-F232 HydrophobicContact CD2-CE2 4.42Å; F225-F232 HydrophobicContact CD2-CG 4.34Å; F225-F232 AromaticContact CD2-CZ 3.9Å; F225-F232 HydrophobicContact CD2-CZ 3.9Å; F225-F232 HydrophobicContact CE2-CD1 4.43Å; F225-F232 HydrophobicContact CE2-CE1 4.06Å; F225-F232 HydrophobicContact CE2-CE2 4.16Å; F225-F232 AromaticContact CE2-CZ 3.92Å; F225-F232 HydrophobicContact CE2-CZ 3.92Å; F225-F232 HydrophobicContact CG-CE1 4.17Å; F232-K234 PolarHBondContact O-N 2.99Å
233	P	93	Very high	93.1	Very high	5 Å²	5	81.7 Å²	81.7	3%	0.032	39%	0.388	C	S	.	.			trans	-61.2	121.1	172.7	-19.1	30.4	0	0	0	111.9	L221 W224 E238 K239 F242 L275	L221-P233 HydrophobicContact CD1-CG 4.38Å; W224-P233 HydrophobicContact CD2-CG 4.06Å; W224-P233 HydrophobicContact CG-CG 4.15Å; W224-P233 HydrophobicContact CZ2-CG 4.34Å; P233-E238 HydrophobicContact CB-CB 4Å; P233-K239 HydrophobicContact CB-CG 4.07Å; P233-F242 HydrophobicContact CB-CB 4.29Å; P233-F242 HydrophobicContact CG-CB 3.8Å; P233-F242 HydrophobicContact CG-CD1 4.37Å; P233-F242 HydrophobicContact CG-CD2 3.95Å; P233-F242 HydrophobicContact CG-CG 3.79Å; P233-L275 HydrophobicContact CB-CD1 4.14Å; P233-L275 HydrophobicContact CG-CD1 4.05Å
234	K	89.9	Confident	93.2	Very high	153 Å²	153	81 Å²	81	67%	0.665	39%	0.386	S	S	*	.			trans	-109.3	-53.9	-177.6	-69.4	175.6	-175.6	177.2	0	112.3	F232 E238	F232-K234 PolarHBondContact O-N 2.99Å; K234-E238 PolarHBondContact N-OE2 2.98Å
235	N	92.3	Very high	93.3	Very high	75 Å²	75	81 Å²	81	40%	0.401	39%	0.387	S	S	.	.	S	Bend	trans	-89	167	-174.2	63.2	56.2	0	0	0	112.1	K237 E238 K239	N235-K237 VanDerWaalsContact C-N 3.25Å; N235-K237 PolarHBondContact O-N 2.89Å; N235-K237 WeakPolarHBondContact OD1-CB 3.37Å; N235-K237 PolarHBondContact OD1-N 3.45Å; N235-K237 VanDerWaalsContact OD1-N 3.15Å; N235-E238 PolarHBondContact N-OE2 3.5Å; N235-E238 PolarHBondContact ND2-OE1 2.84Å; N235-E238 PolarHBondContact ND2-OE2 3.22Å; N235-E238 PolarHBondContact O-N 3.29Å; N235-E238 WeakPolarHBondContact OD1-CG 3.38Å; N235-E238 PolarHBondContact OD1-N 3.01Å; N235-K239 PolarHBondContact O-N 3.25Å
236	Y	92.9	Very high	93.5	Very high	181 Å²	181	78 Å²	78	71%	0.71	37%	0.373	S	S	*	.	H	α-helix	trans	-54.3	-41.4	-179.5	178.6	-92.9	0	0	0	112.7	K239 E240	Y236-K239 PolarHBondContact O-N 2.67Å; Y236-E240 WeakPolarHBondContact O-CB 3.41Å; Y236-E240 PolarHBondContact O-N 2.96Å
237	K	95.1	Very high	93.7	Very high	172 Å²	172	78.4 Å²	78.4	75%	0.748	36%	0.362	S	S	*	.	H	α-helix	trans	-66.3	-42.8	-178.3	-175.1	-178.3	176.9	-175.5	0	111.8	N235 E240 A241	N235-K237 VanDerWaalsContact C-N 3.25Å; N235-K237 PolarHBondContact O-N 2.89Å; N235-K237 WeakPolarHBondContact OD1-CB 3.37Å; N235-K237 PolarHBondContact OD1-N 3.45Å; N235-K237 VanDerWaalsContact OD1-N 3.15Å; K237-E240 PolarHBondContact O-N 3.46Å; K237-A241 WeakPolarHBondContact O-CB 3.12Å; K237-A241 PolarHBondContact O-N 3.1Å
238	E	95.1	Very high	93.7	Very high	64 Å²	64	80 Å²	80	30%	0.299	37%	0.37	S	S	.	.	H	α-helix	trans	-66.8	-44.1	175.7	-72.8	162.2	-164	0	0	111.5	W224 P233 K234 N235 E240 A241 F242	W224-E238 HydrophobicContact CZ2-CB 4.25Å; W224-E238 HydrophobicContact CZ2-CG 4.44Å; P233-E238 HydrophobicContact CB-CB 4Å; K234-E238 PolarHBondContact N-OE2 2.98Å; N235-E238 PolarHBondContact N-OE2 3.5Å; N235-E238 PolarHBondContact ND2-OE1 2.84Å; N235-E238 PolarHBondContact ND2-OE2 3.22Å; N235-E238 PolarHBondContact O-N 3.29Å; N235-E238 WeakPolarHBondContact OD1-CG 3.38Å; N235-E238 PolarHBondContact OD1-N 3.01Å; E238-E240 VanDerWaalsContact C-N 3.27Å; E238-E240 PolarHBondContact O-N 3.4Å; E238-A241 PolarHBondContact O-N 3.42Å; E238-F242 WeakPolarHBondContact O-CB 3.35Å; E238-F242 PolarHBondContact O-N 2.89Å
239	K	94.9	Very high	93.8	Very high	30 Å²	30	77 Å²	77	13%	0.13	36%	0.359	C	S	.	.	H	α-helix	trans	-61.6	-37.3	175.9	-72.7	-172.6	176.6	-169.9	0	111.6	P233 N235 Y236 F242 K243 V271 N272	P233-K239 HydrophobicContact CB-CG 4.07Å; N235-K239 PolarHBondContact O-N 3.25Å; Y236-K239 PolarHBondContact O-N 2.67Å; K239-F242 PolarHBondContact O-N 2.89Å; K239-K243 WeakPolarHBondContact O-CG 3.1Å; K239-K243 PolarHBondContact O-N 3.01Å; K239-V271 HydrophobicContact CB-CG1 4.38Å; K239-N272 PolarHBondContact NZ-O 3.43Å
240	E	96.4	Very high	94.1	Very high	59 Å²	59	71 Å²	71	28%	0.276	33%	0.328	S	S	.	.	H	α-helix	trans	-69	-43	175.5	-168.6	54.9	-147.5	0	0	111.8	Y236 K237 E238 F242 K243 Q244	Y236-E240 WeakPolarHBondContact O-CB 3.41Å; Y236-E240 PolarHBondContact O-N 2.96Å; K237-E240 PolarHBondContact O-N 3.46Å; E238-E240 VanDerWaalsContact C-N 3.27Å; E238-E240 PolarHBondContact O-N 3.4Å; E240-F242 VanDerWaalsContact C-N 3.28Å; E240-F242 PolarHBondContact O-N 2.87Å; E240-K243 WeakPolarHBondContact O-CB 3.36Å; E240-K243 PolarHBondContact O-N 2.93Å; E240-K243 IonicContact OE2-NZ 2.77Å; E240-Q244 WeakPolarHBondContact O-CG 3.39Å; E240-Q244 PolarHBondContact O-N 3.06Å; E240-Q244 PolarHBondContact OE1-NE2 2.97Å; E240-Q244 VanDerWaalsContact OE1-NE2 3.16Å
241	A	96.2	Very high	94.3	Very high	45 Å²	45	67 Å²	67	37%	0.372	31%	0.312	S	S	.	.	H	α-helix	trans	-61	-38.6	173.2	0	0	0	0	0	112.1	W224 K237 E238 Q244 L245	W224-A241 HydrophobicContact CH2-CB 3.67Å; W224-A241 HydrophobicContact CZ3-CB 3.95Å; K237-A241 WeakPolarHBondContact O-CB 3.12Å; K237-A241 PolarHBondContact O-N 3.1Å; E238-A241 PolarHBondContact O-N 3.42Å; A241-Q244 PolarHBondContact O-N 3.34Å; A241-L245 PolarHBondContact O-N 2.92Å
242	F	97.2	Very high	94.4	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-64.5	-40.8	174.7	-177.9	-109.4	0	0	0	112.5	V217 Y220 L221 W224 P233 E238 K239 E240 Q244 L245 I246 V271 L275	V217-F242 HydrophobicContact CG1-CE1 4.2Å; V217-F242 HydrophobicContact CG1-CZ 4.36Å; Y220-F242 WeakPolarHBondContact O-CE2 3.28Å; L221-F242 HydrophobicContact CB-CE2 4.35Å; L221-F242 HydrophobicContact CB-CZ 4.07Å; L221-F242 HydrophobicContact CD1-CE2 4.1Å; L221-F242 HydrophobicContact CD1-CZ 3.98Å; W224-F242 HydrophobicContact CB-CD2 3.94Å; W224-F242 HydrophobicContact CB-CE2 3.97Å; W224-F242 HydrophobicContact CD2-CB 4.5Å; W224-F242 AromaticContact CD2-CD2 3.92Å; W224-F242 HydrophobicContact CD2-CD2 3.92Å; W224-F242 HydrophobicContact CE3-CB 4.01Å; W224-F242 AromaticContact CE3-CD2 3.73Å; W224-F242 HydrophobicContact CE3-CD2 3.73Å; W224-F242 HydrophobicContact CE3-CG 4.38Å; W224-F242 HydrophobicContact CG-CD2 4.02Å; W224-F242 HydrophobicContact CG-CE2 4.47Å; W224-F242 HydrophobicContact CZ3-CB 4.03Å; P233-F242 HydrophobicContact CB-CB 4.29Å; P233-F242 HydrophobicContact CG-CB 3.8Å; P233-F242 HydrophobicContact CG-CD1 4.37Å; P233-F242 HydrophobicContact CG-CD2 3.95Å; P233-F242 HydrophobicContact CG-CG 3.79Å; E238-F242 WeakPolarHBondContact O-CB 3.35Å; E238-F242 PolarHBondContact O-N 2.89Å; K239-F242 PolarHBondContact O-N 2.89Å; E240-F242 VanDerWaalsContact C-N 3.28Å; E240-F242 PolarHBondContact O-N 2.87Å; F242-Q244 VanDerWaalsContact C-N 3.3Å; F242-Q244 PolarHBondContact O-N 3.32Å; F242-L245 HydrophobicContact CD2-CD2 4.45Å; F242-L245 WeakPolarHBondContact O-CB 3.24Å; F242-L245 PolarHBondContact O-N 3.31Å; F242-L245 VanDerWaalsContact O-N 3.12Å; F242-I246 HydrophobicContact CD1-CD1 3.97Å; F242-I246 HydrophobicContact CE1-CD1 3.52Å; F242-I246 HydrophobicContact CE1-CG1 4.32Å; F242-I246 HydrophobicContact CZ-CD1 3.94Å; F242-I246 HydrophobicContact CZ-CG1 4.35Å; F242-I246 PolarHBondContact O-N 2.95Å; F242-V271 HydrophobicContact CD1-CG1 3.73Å; F242-V271 HydrophobicContact CD1-CG2 3.91Å; F242-V271 HydrophobicContact CE1-CG1 4.27Å; F242-V271 HydrophobicContact CE1-CG2 3.97Å; F242-L275 HydrophobicContact CD1-CD1 3.92Å; F242-L275 HydrophobicContact CE1-CD1 3.96Å
243	K	97.5	Very high	94.1	Very high	24 Å²	24	66.8 Å²	66.8	10%	0.104	31%	0.313	C	S	.	.	H	α-helix	trans	-59.8	-40.6	171.4	-73.4	172.6	-175.2	175.2	0	112.1	K239 E240 L245 I246 R247 I268 V271 N272	K239-K243 WeakPolarHBondContact O-CG 3.1Å; K239-K243 PolarHBondContact O-N 3.01Å; E240-K243 WeakPolarHBondContact O-CB 3.36Å; E240-K243 PolarHBondContact O-N 2.93Å; E240-K243 IonicContact OE2-NZ 2.77Å; K243-L245 VanDerWaalsContact C-N 3.31Å; K243-I246 PolarHBondContact O-N 3.46Å; K243-R247 WeakPolarHBondContact O-CB 2.93Å; K243-R247 PolarHBondContact O-N 3.31Å; K243-I268 HydrophobicContact CB-CG2 4.08Å; K243-I268 HydrophobicContact CD-CG2 4.14Å; K243-I268 WeakPolarHBondContact CE-O 3.42Å; K243-I268 HydrophobicContact CG-CG2 4Å; K243-V271 HydrophobicContact CG-CB 4Å; K243-V271 HydrophobicContact CG-CG1 4.1Å; K243-V271 HydrophobicContact CG-CG2 3.84Å; K243-N272 PolarHBondContact NZ-ND2 3.22Å; K243-N272 PolarHBondContact NZ-OD1 2.95Å
244	Q	96.7	Very high	93.6	Very high	74 Å²	74	76.5 Å²	76.5	35%	0.346	36%	0.358	S	S	.	.	H	α-helix	trans	-66.3	-35.3	175.1	-60.3	-56	-25.4	0	0	111.9	E240 A241 F242 R247 Q248	E240-Q244 WeakPolarHBondContact O-CG 3.39Å; E240-Q244 PolarHBondContact O-N 3.06Å; E240-Q244 PolarHBondContact OE1-NE2 2.97Å; E240-Q244 VanDerWaalsContact OE1-NE2 3.16Å; A241-Q244 PolarHBondContact O-N 3.34Å; F242-Q244 VanDerWaalsContact C-N 3.3Å; F242-Q244 PolarHBondContact O-N 3.32Å; Q244-R247 VanDerWaalsContact CD-NH1 3.3Å; Q244-R247 PolarHBondContact O-N 3.29Å; Q244-Q248 VanDerWaalsContact O-CG 3.31Å; Q244-Q248 WeakPolarHBondContact O-CG 3.34Å; Q244-Q248 PolarHBondContact O-N 3.35Å
245	L	96.4	Very high	93.1	Very high	16 Å²	16	78.4 Å²	78.4	8%	0.084	37%	0.366	C	S	.	.	H	α-helix	trans	-62.1	-45.9	173.9	-179.5	65.7	0	0	0	111.4	Y220 K223 W224 A241 F242 K243 R247 Q248	Y220-L245 HydrophobicContact CD1-CD2 4.34Å; Y220-L245 HydrophobicContact CD1-CG 3.94Å; K223-L245 HydrophobicContact CD-CD1 4.45Å; W224-L245 HydrophobicContact CB-CD2 4.24Å; W224-L245 HydrophobicContact CE3-CD2 3.9Å; A241-L245 PolarHBondContact O-N 2.92Å; F242-L245 HydrophobicContact CD2-CD2 4.45Å; F242-L245 WeakPolarHBondContact O-CB 3.24Å; F242-L245 PolarHBondContact O-N 3.31Å; F242-L245 VanDerWaalsContact O-N 3.12Å; K243-L245 VanDerWaalsContact C-N 3.31Å; L245-R247 VanDerWaalsContact C-N 3.33Å; L245-R247 PolarHBondContact O-N 3.26Å; L245-Q248 PolarHBondContact O-N 3.3Å
246	I	96.9	Very high	92.6	Very high	0 Å²	0	77.1 Å²	77.1	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-60.8	-43.8	174.6	-64.9	169.1	0	0	0	110.6	I216 V217 Y220 F242 K243 Q248 G249 F264 A267 I268 V271	I216-I246 HydrophobicContact CG2-CG2 3.88Å; V217-I246 HydrophobicContact CG2-CD1 4.31Å; Y220-I246 HydrophobicContact CD1-CG1 4.5Å; Y220-I246 HydrophobicContact CD2-CB 4.42Å; Y220-I246 HydrophobicContact CD2-CG1 3.94Å; Y220-I246 HydrophobicContact CD2-CG2 4.4Å; Y220-I246 HydrophobicContact CG-CB 4.48Å; Y220-I246 HydrophobicContact CG-CG1 3.78Å; F242-I246 HydrophobicContact CD1-CD1 3.97Å; F242-I246 HydrophobicContact CE1-CD1 3.52Å; F242-I246 HydrophobicContact CE1-CG1 4.32Å; F242-I246 HydrophobicContact CZ-CD1 3.94Å; F242-I246 HydrophobicContact CZ-CG1 4.35Å; F242-I246 PolarHBondContact O-N 2.95Å; K243-I246 PolarHBondContact O-N 3.46Å; I246-Q248 VanDerWaalsContact C-N 3.26Å; I246-Q248 PolarHBondContact O-N 3.31Å; I246-G249 WeakPolarHBondContact O-CA 3.34Å; I246-G249 PolarHBondContact O-N 3.22Å; I246-F264 HydrophobicContact CG2-CD1 3.9Å; I246-A267 HydrophobicContact CG2-CB 4.26Å; I246-I268 HydrophobicContact CB-CG1 4.11Å; I246-I268 HydrophobicContact CG2-CD1 4.35Å; I246-I268 HydrophobicContact CG2-CG1 3.81Å; I246-V271 HydrophobicContact CD1-CG2 3.7Å
247	R	96.3	Very high	92.3	Very high	93 Å²	93	72.2 Å²	72.2	35%	0.351	36%	0.36	S	S	.	.	H	α-helix	trans	-61.5	-32.5	179.8	-173.8	175	-76.7	123.8	-1.6	113	K243 Q244 L245 G249 I250 I268	K243-R247 WeakPolarHBondContact O-CB 2.93Å; K243-R247 PolarHBondContact O-N 3.31Å; Q244-R247 VanDerWaalsContact CD-NH1 3.3Å; Q244-R247 PolarHBondContact O-N 3.29Å; L245-R247 VanDerWaalsContact C-N 3.33Å; L245-R247 PolarHBondContact O-N 3.26Å; R247-G249 PolarHBondContact O-N 2.84Å; R247-I250 HydrophobicContact CG-CD1 4.15Å; R247-I250 WeakPolarHBondContact O-CG1 3.47Å; R247-I250 PolarHBondContact O-N 3.33Å; R247-I268 HydrophobicContact CB-CD1 3.86Å; R247-I268 HydrophobicContact CG-CD1 4.42Å
248	Q	93.9	Very high	91.9	Very high	146 Å²	146	68.3 Å²	68.3	68%	0.682	35%	0.353	S	S	*	.	H	α-helix	trans	-68	-18	174.5	-70.8	168.5	25.7	0	0	113	Q244 L245 I246 I250	Q244-Q248 VanDerWaalsContact O-CG 3.31Å; Q244-Q248 WeakPolarHBondContact O-CG 3.34Å; Q244-Q248 PolarHBondContact O-N 3.35Å; L245-Q248 PolarHBondContact O-N 3.3Å; I246-Q248 VanDerWaalsContact C-N 3.26Å; I246-Q248 PolarHBondContact O-N 3.31Å; Q248-I250 VanDerWaalsContact C-N 3.32Å
249	G	93.3	Very high	91.6	Very high	14 Å²	14	67.9 Å²	67.9	14%	0.144	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-15.6	175.2	0	0	0	0	0	116	H208 Y220 I246 R247 L251	H208-G249 PolarHBondContact CE1-O 2.81Å; Y220-G249 WeakPolarHBondContact OH-CA 3.24Å; I246-G249 WeakPolarHBondContact O-CA 3.34Å; I246-G249 PolarHBondContact O-N 3.22Å; R247-G249 PolarHBondContact O-N 2.84Å; G249-L251 PolarHBondContact O-N 3.33Å
250	I	94.6	Very high	91.4	Very high	14 Å²	14	73.1 Å²	73.1	7%	0.072	38%	0.38	C	S	.	.	S	Bend	trans	-66.8	130	-179.2	-61.9	174.2	0	0	0	109.1	R247 Q248 P258 E259 E261 F264	R247-I250 HydrophobicContact CG-CD1 4.15Å; R247-I250 WeakPolarHBondContact O-CG1 3.47Å; R247-I250 PolarHBondContact O-N 3.33Å; Q248-I250 VanDerWaalsContact C-N 3.32Å; I250-P258 HydrophobicContact CG2-CB 4.11Å; I250-E259 WeakPolarHBondContact CG2-O 3.34Å; I250-E261 WeakPolarHBondContact CA-OE2 3.5Å; I250-E261 HydrophobicContact CG2-CB 4.37Å; I250-E261 HydrophobicContact CG2-CG 4.17Å; I250-F264 HydrophobicContact CD1-CB 4.08Å; I250-F264 HydrophobicContact CG1-CB 3.74Å; I250-F264 HydrophobicContact CG1-CD1 3.9Å; I250-F264 HydrophobicContact CG1-CG 3.89Å
251	L	92.4	Very high	91.3	Very high	61 Å²	61	70.4 Å²	70.4	32%	0.319	37%	0.367	S	S	.	.			trans	-60.6	150.4	179.9	-68.5	176.7	0	0	0	110.7	K205 H208 G249 E259 E261	K205-L251 HydrophobicContact CB-CD1 4.26Å; K205-L251 HydrophobicContact CG-CD1 4.24Å; H208-L251 HydrophobicContact CB-CD1 3.92Å; G249-L251 PolarHBondContact O-N 3.33Å; L251-E259 HydrophobicContact CB-CG 4.31Å; L251-E259 WeakPolarHBondContact O-CB 3.32Å; L251-E259 WeakPolarHBondContact O-CG 3.47Å; L251-E259 PolarHBondContact O-N 2.68Å; L251-E261 PolarHBondContact N-OE2 2.99Å
252	K	90.7	Very high	91.3	Very high	148 Å²	148	73.9 Å²	73.9	64%	0.643	38%	0.376	S	S	*	.	B	Isolated β-bridge	trans	-109.4	140.3	177.2	-62.9	179.9	-175	176	0	110.1	T257	K252-T257 CarbonylContact C-O 3.57Å; K252-T257 WeakPolarHBondContact CA-O 3.42Å
253	S	85.7	Confident	91.2	Very high	29 Å²	29	73.9 Å²	73.9	20%	0.203	38%	0.376	C	S	.	.			trans	-65.1	169.2	171.7	79.6	0	0	0	0	111.1	K255 G256 T257 E259	S253-K255 PolarHBondContact O-N 2.96Å; S253-K255 PolarHBondContact OG-N 3.31Å; S253-G256 PolarHBondContact O-N 2.84Å; S253-T257 PolarHBondContact N-O 2.88Å; S253-T257 PolarHBondContact OG-O 3.47Å; S253-T257 PolarHBondContact OG-OG1 3.06Å; S253-E259 WeakPolarHBondContact CA-OE1 3.43Å; S253-E259 VanDerWaalsContact CB-OE1 3.28Å; S253-E259 WeakPolarHBondContact CB-OE1 3.5Å
254	E	81.5	Confident	91.2	Very high	209 Å²	209	72.8 Å²	72.8	98%	0.977	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-21.6	173.5	-62.5	-179.4	172.8	0	0	113.3
255	K	79.4	Confident	91.2	Very high	192 Å²	192	72.3 Å²	72.3	84%	0.835	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	4	177.7	-61.8	-180	-177.7	175.1	0	113.2	S253 T257	S253-K255 PolarHBondContact O-N 2.96Å; S253-K255 PolarHBondContact OG-N 3.31Å; K255-T257 VanDerWaalsContact C-N 3.26Å; K255-T257 PolarHBondContact O-N 3.21Å
256	G	81.7	Confident	91.2	Very high	49 Å²	49	73.2 Å²	73.2	51%	0.505	37%	0.373	S	S	.	.	S	Bend	trans	76.4	5.8	-179.5	0	0	0	0	0	114.9	S253	S253-G256 PolarHBondContact O-N 2.84Å
257	T	85.6	Confident	91.3	Very high	77 Å²	77	73.2 Å²	73.2	47%	0.472	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-80.8	137.4	174.3	60.3	0	0	0	0	109.9	K252 S253 K255 E259	K252-T257 CarbonylContact C-O 3.57Å; K252-T257 WeakPolarHBondContact CA-O 3.42Å; S253-T257 PolarHBondContact N-O 2.88Å; S253-T257 PolarHBondContact OG-O 3.47Å; S253-T257 PolarHBondContact OG-OG1 3.06Å; K255-T257 VanDerWaalsContact C-N 3.26Å; K255-T257 PolarHBondContact O-N 3.21Å; T257-E259 PolarHBondContact O-N 2.89Å
258	P	87.3	Confident	91.3	Very high	91 Å²	91	69.3 Å²	69.3	59%	0.591	36%	0.359	S	S	*	.	B	Isolated β-bridge	trans	-54	137	170.5	-23.2	33.5	0	0	0	110.8	I250	I250-P258 HydrophobicContact CG2-CB 4.11Å
259	E	89.7	Confident	91.4	Very high	55 Å²	55	69.8 Å²	69.8	26%	0.257	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-70.7	156.7	169.7	-68.1	-73.9	174.5	0	0	109.9	K205 I250 L251 S253 T257 E261	K205-E259 WeakPolarHBondContact CE-OE2 3.46Å; K205-E259 IonicContact NZ-OE1 2.74Å; K205-E259 PolarHBondContact NZ-OE1 2.91Å; K205-E259 IonicContact NZ-OE2 3.69Å; K205-E259 PolarHBondContact NZ-OE2 3.3Å; I250-E259 WeakPolarHBondContact CG2-O 3.34Å; L251-E259 HydrophobicContact CB-CG 4.31Å; L251-E259 WeakPolarHBondContact O-CB 3.32Å; L251-E259 WeakPolarHBondContact O-CG 3.47Å; L251-E259 PolarHBondContact O-N 2.68Å; S253-E259 WeakPolarHBondContact CA-OE1 3.43Å; S253-E259 VanDerWaalsContact CB-OE1 3.28Å; S253-E259 WeakPolarHBondContact CB-OE1 3.5Å; T257-E259 PolarHBondContact O-N 2.89Å; E259-E261 HydrophobicContact CB-CG 4.2Å; E259-E261 PolarHBondContact O-N 2.6Å
260	D	90.5	Very high	91.6	Very high	139 Å²	139	71.2 Å²	71.2	74%	0.743	36%	0.363	S	S	*	.			trans	-86.9	96.8	177.6	-164	10.2	0	0	0	109.2
261	E	93.9	Very high	91.6	Very high	2 Å²	2	70.6 Å²	70.6	1%	0.009	36%	0.359	C	S	.	.			trans	-114.5	91.6	-176.4	-61.8	-160.6	98.8	0	0	110.4	H208 S209 I250 L251 E259 N263 F264 E265	H208-E261 IonicContact CE1-OE1 2.65Å; H208-E261 IonicContact CE1-OE2 3.64Å; H208-E261 PolarHBondContact CE1-OE2 3.47Å; H208-E261 IonicContact CG-OE1 3.45Å; H208-E261 VanDerWaalsContact ND1-CD 3.26Å; H208-E261 IonicContact ND1-OE1 3.85Å; H208-E261 PolarHBondContact ND1-OE1 3.04Å; H208-E261 IonicContact ND1-OE2 3.5Å; H208-E261 PolarHBondContact ND1-OE2 3.32Å; H208-E261 VanDerWaalsContact ND1-OE2 3.07Å; S209-E261 WeakPolarHBondContact CA-OE1 3.31Å; S209-E261 WeakPolarHBondContact CB-OE1 3.49Å; S209-E261 PolarHBondContact N-OE1 3.21Å; S209-E261 PolarHBondContact OG-OE1 3.46Å; I250-E261 WeakPolarHBondContact CA-OE2 3.5Å; I250-E261 HydrophobicContact CG2-CB 4.37Å; I250-E261 HydrophobicContact CG2-CG 4.17Å; L251-E261 PolarHBondContact N-OE2 2.99Å; E259-E261 HydrophobicContact CB-CG 4.2Å; E259-E261 PolarHBondContact O-N 2.6Å; E261-N263 PolarHBondContact O-N 2.81Å; E261-F264 HydrophobicContact CB-CB 4.26Å; E261-F264 HydrophobicContact CB-CD2 3.97Å; E261-F264 HydrophobicContact CB-CG 4.47Å; E261-F264 PolarHBondContact O-N 3.04Å; E261-E265 PolarHBondContact O-N 3.34Å
262	E	95.1	Very high	91.6	Very high	119 Å²	119	71.1 Å²	71.1	56%	0.556	36%	0.363	S	S	*	.	H	α-helix	trans	-58.9	-33.4	-174.5	-62.2	-175	-170.4	0	0	113	F264 E265 E266 I332	E262-F264 PolarHBondContact O-N 3.49Å; E262-E265 PolarHBondContact O-N 2.63Å; E262-E266 WeakPolarHBondContact O-CB 3.47Å; E262-E266 PolarHBondContact O-N 2.65Å; E262-I332 HydrophobicContact CB-CD1 3.49Å; E262-I332 VanDerWaalsContact CB-CD1 3.49Å; E262-I332 HydrophobicContact CB-CG2 4.49Å; E262-I332 HydrophobicContact CG-CD1 4.48Å; E262-I332 VanDerWaalsContact OE2-CD1 3.3Å; E262-I332 WeakPolarHBondContact OE2-CD1 3.35Å
263	N	96.6	Very high	91.7	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-65.8	-33.3	176.9	64.1	-31.3	0	0	0	113.2	H208 S209 T211 I216 E261 A267 I332	H208-N263 PolarHBondContact O-ND2 3.26Å; S209-N263 VanDerWaalsContact C-ND2 3.34Å; S209-N263 PolarHBondContact O-ND2 3.1Å; S209-N263 PolarHBondContact O-OD1 3.34Å; T211-N263 PolarHBondContact N-ND2 2.74Å; T211-N263 PolarHBondContact O-ND2 3.13Å; I216-N263 HydrophobicContact CD1-CB 4.15Å; I216-N263 WeakPolarHBondContact CD1-ND2 3.14Å; E261-N263 PolarHBondContact O-N 2.81Å; N263-A267 PolarHBondContact O-N 2.87Å; N263-I332 HydrophobicContact CB-CB 4.42Å; N263-I332 HydrophobicContact CB-CG2 4.42Å
264	F	97.4	Very high	92	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-73	-39.2	173.5	-83.9	-102.3	0	0	0	111.7	H208 I216 Y220 I246 I250 E261 E262 E266 A267 I268	H208-F264 AromaticContact CE1-CE2 3.09Å; H208-F264 WeakPolarHBondContact CE1-CE2 3.41Å; H208-F264 AromaticContact CE1-CZ 3.09Å; H208-F264 WeakPolarHBondContact CE1-CZ 3.27Å; H208-F264 AromaticContact ND1-CE2 3.48Å; H208-F264 WeakPolarHBondContact ND1-CE2 3.43Å; H208-F264 AromaticContact ND1-CZ 3.93Å; H208-F264 AromaticContact NE2-CE2 3.68Å; H208-F264 AromaticContact NE2-CZ 3.3Å; H208-F264 VanDerWaalsContact NE2-CZ 3.3Å; H208-F264 WeakPolarHBondContact NE2-CZ 3.42Å; I216-F264 HydrophobicContact CD1-CD1 4.47Å; I216-F264 HydrophobicContact CD1-CD2 3.61Å; I216-F264 HydrophobicContact CD1-CE1 4.44Å; I216-F264 HydrophobicContact CD1-CE2 3.54Å; I216-F264 HydrophobicContact CD1-CG 4.06Å; I216-F264 HydrophobicContact CD1-CZ 3.97Å; I216-F264 HydrophobicContact CG1-CE2 4.14Å; I216-F264 HydrophobicContact CG1-CZ 4.11Å; I216-F264 HydrophobicContact CG2-CD1 3.97Å; I216-F264 HydrophobicContact CG2-CE1 3.82Å; I216-F264 HydrophobicContact CG2-CZ 4.22Å; Y220-F264 AromaticContact CE2-CE1 3.77Å; Y220-F264 HydrophobicContact CE2-CE1 3.77Å; Y220-F264 HydrophobicContact CE2-CZ 4.46Å; I246-F264 HydrophobicContact CG2-CD1 3.9Å; I250-F264 HydrophobicContact CD1-CB 4.08Å; I250-F264 HydrophobicContact CG1-CB 3.74Å; I250-F264 HydrophobicContact CG1-CD1 3.9Å; I250-F264 HydrophobicContact CG1-CG 3.89Å; E261-F264 HydrophobicContact CB-CB 4.26Å; E261-F264 HydrophobicContact CB-CD2 3.97Å; E261-F264 HydrophobicContact CB-CG 4.47Å; E261-F264 PolarHBondContact O-N 3.04Å; E262-F264 PolarHBondContact O-N 3.49Å; F264-E266 VanDerWaalsContact C-N 3.31Å; F264-A267 WeakPolarHBondContact O-CB 3.26Å; F264-A267 PolarHBondContact O-N 3.04Å; F264-I268 VanDerWaalsContact O-CG1 3.29Å; F264-I268 WeakPolarHBondContact O-CG1 3.4Å; F264-I268 PolarHBondContact O-N 3.31Å
265	E	96.9	Very high	92.5	Very high	65 Å²	65	57.2 Å²	57.2	30%	0.304	30%	0.303	S	S	.	.	H	α-helix	trans	-65.8	-36.6	173.3	-71.9	-61.7	154.7	0	0	111.6	E261 E262 I268 K269	E261-E265 PolarHBondContact O-N 3.34Å; E262-E265 PolarHBondContact O-N 2.63Å; E265-I268 PolarHBondContact O-N 2.77Å; E265-K269 VanDerWaalsContact O-CG 3.3Å; E265-K269 WeakPolarHBondContact O-CG 3.38Å; E265-K269 PolarHBondContact O-N 3.22Å
266	E	96.8	Very high	93	Very high	35 Å²	35	50.7 Å²	50.7	16%	0.164	28%	0.277	C	S	.	.	H	α-helix	trans	-62.6	-43.7	171	-167.7	178	-173.1	0	0	111.7	W213 E262 F264 I268 K269 N270 I332	W213-E266 HydrophobicContact CB-CB 4.31Å; W213-E266 HydrophobicContact CB-CG 4.34Å; W213-E266 HydrophobicContact CG-CG 4.04Å; E262-E266 WeakPolarHBondContact O-CB 3.47Å; E262-E266 PolarHBondContact O-N 2.65Å; F264-E266 VanDerWaalsContact C-N 3.31Å; E266-I268 PolarHBondContact O-N 3.44Å; E266-K269 PolarHBondContact O-N 2.78Å; E266-N270 WeakPolarHBondContact O-CB 3.36Å; E266-N270 PolarHBondContact O-N 3.45Å; E266-N270 PolarHBondContact O-ND2 2.99Å; E266-I332 PolarHBondContact OE2-N 3.05Å
267	A	97.3	Very high	93.4	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-57.4	-48.5	174.4	0	0	0	0	0	111.6	W213 I216 V217 I246 N263 F264 K269 N270 V271	W213-A267 HydrophobicContact CB-CB 3.91Å; I216-A267 HydrophobicContact CB-CB 4.11Å; I216-A267 HydrophobicContact CG2-CB 3.76Å; V217-A267 HydrophobicContact CG2-CB 3.85Å; I246-A267 HydrophobicContact CG2-CB 4.26Å; N263-A267 PolarHBondContact O-N 2.87Å; F264-A267 WeakPolarHBondContact O-CB 3.26Å; F264-A267 PolarHBondContact O-N 3.04Å; A267-K269 PolarHBondContact O-N 3.27Å; A267-N270 PolarHBondContact O-N 3.24Å; A267-V271 WeakPolarHBondContact O-CG2 3.35Å; A267-V271 PolarHBondContact O-N 2.81Å; A267-V271 VanDerWaalsContact O-N 3.1Å
268	I	97.4	Very high	93.9	Very high	11 Å²	11	50.2 Å²	50.2	6%	0.056	27%	0.266	C	S	.	.	H	α-helix	trans	-60.5	-43.2	180	-70.6	165.1	0	0	0	111.5	K243 I246 R247 F264 E265 E266 N270	K243-I268 HydrophobicContact CB-CG2 4.08Å; K243-I268 HydrophobicContact CD-CG2 4.14Å; K243-I268 WeakPolarHBondContact CE-O 3.42Å; K243-I268 HydrophobicContact CG-CG2 4Å; I246-I268 HydrophobicContact CB-CG1 4.11Å; I246-I268 HydrophobicContact CG2-CD1 4.35Å; I246-I268 HydrophobicContact CG2-CG1 3.81Å; R247-I268 HydrophobicContact CB-CD1 3.86Å; R247-I268 HydrophobicContact CG-CD1 4.42Å; F264-I268 VanDerWaalsContact O-CG1 3.29Å; F264-I268 WeakPolarHBondContact O-CG1 3.4Å; F264-I268 PolarHBondContact O-N 3.31Å; E265-I268 PolarHBondContact O-N 2.77Å; E266-I268 PolarHBondContact O-N 3.44Å; I268-N270 VanDerWaalsContact C-N 3.33Å
269	K	96.5	Very high	94.1	Very high	156 Å²	156	53.8 Å²	53.8	68%	0.678	27%	0.273	S	S	*	.	H	α-helix	trans	-62.9	-40.4	177.4	-73.5	170.1	-174.3	170.5	0	111.6	E265 E266 A267	E265-K269 VanDerWaalsContact O-CG 3.3Å; E265-K269 WeakPolarHBondContact O-CG 3.38Å; E265-K269 PolarHBondContact O-N 3.22Å; E266-K269 PolarHBondContact O-N 2.78Å; A267-K269 PolarHBondContact O-N 3.27Å
270	N	96.3	Very high	94.4	Very high	44 Å²	44	53 Å²	53	24%	0.235	27%	0.27	C	S	.	.	H	α-helix	trans	-83.2	-9.1	-176	-76.4	-69.8	0	0	0	115	W213 E266 A267 I268 N272 T273 A274	W213-N270 HydrophobicContact CD2-CB 4.16Å; W213-N270 HydrophobicContact CE3-CB 3.82Å; W213-N270 HydrophobicContact CH2-CB 3.52Å; W213-N270 HydrophobicContact CZ2-CB 3.85Å; W213-N270 HydrophobicContact CZ3-CB 3.51Å; E266-N270 WeakPolarHBondContact O-CB 3.36Å; E266-N270 PolarHBondContact O-N 3.45Å; E266-N270 PolarHBondContact O-ND2 2.99Å; A267-N270 PolarHBondContact O-N 3.24Å; I268-N270 VanDerWaalsContact C-N 3.33Å; N270-N272 PolarHBondContact O-N 2.85Å; N270-T273 PolarHBondContact O-N 3.4Å; N270-T273 VanDerWaalsContact O-N 3.11Å; N270-T273 PolarHBondContact O-OG1 3.43Å; N270-A274 WeakPolarHBondContact O-CB 3.37Å; N270-A274 PolarHBondContact O-N 3.41Å
271	V	95.7	Very high	94.5	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-48.9	-40.2	178	167.7	0	0	0	0	113.2	K239 F242 K243 I246 A267 T273 L275	K239-V271 HydrophobicContact CB-CG1 4.38Å; F242-V271 HydrophobicContact CD1-CG1 3.73Å; F242-V271 HydrophobicContact CD1-CG2 3.91Å; F242-V271 HydrophobicContact CE1-CG1 4.27Å; F242-V271 HydrophobicContact CE1-CG2 3.97Å; K243-V271 HydrophobicContact CG-CB 4Å; K243-V271 HydrophobicContact CG-CG1 4.1Å; K243-V271 HydrophobicContact CG-CG2 3.84Å; I246-V271 HydrophobicContact CD1-CG2 3.7Å; A267-V271 WeakPolarHBondContact O-CG2 3.35Å; A267-V271 PolarHBondContact O-N 2.81Å; A267-V271 VanDerWaalsContact O-N 3.1Å; V271-T273 VanDerWaalsContact C-N 3.33Å; V271-T273 PolarHBondContact O-N 3.19Å; V271-L275 HydrophobicContact CG1-CD1 3.78Å; V271-L275 HydrophobicContact CG1-CG 4.36Å; V271-L275 WeakPolarHBondContact O-CG 3.27Å; V271-L275 PolarHBondContact O-N 2.88Å
272	N	91.6	Very high	94.5	Very high	72 Å²	72	53 Å²	53	39%	0.385	28%	0.28	S	S	.	.	H	α-helix	trans	-65.7	-37.4	-174.4	-75.9	-15.4	0	0	0	112.5	K239 K243 N270	K239-N272 PolarHBondContact NZ-O 3.43Å; K243-N272 PolarHBondContact NZ-ND2 3.22Å; K243-N272 PolarHBondContact NZ-OD1 2.95Å; N270-N272 PolarHBondContact O-N 2.85Å
273	T	92.2	Very high	94.4	Very high	71 Å²	71	48.6 Å²	48.6	44%	0.436	27%	0.268	S	S	.	.	H	α-helix	trans	-90.9	-36.5	-179.1	47	0	0	0	0	112.1	L179 N270 V271 L275 N276	L179-T273 HydrophobicContact CD2-CG2 4.32Å; N270-T273 PolarHBondContact O-N 3.4Å; N270-T273 VanDerWaalsContact O-N 3.11Å; N270-T273 PolarHBondContact O-OG1 3.43Å; V271-T273 VanDerWaalsContact C-N 3.33Å; V271-T273 PolarHBondContact O-N 3.19Å; T273-L275 VanDerWaalsContact C-N 3.34Å; T273-L275 PolarHBondContact O-N 2.92Å; T273-N276 WeakPolarHBondContact O-CB 3.41Å; T273-N276 PolarHBondContact O-N 3.12Å; T273-N276 PolarHBondContact O-ND2 3.38Å
274	A	93.7	Very high	94.3	Very high	5 Å²	5	48.6 Å²	48.6	4%	0.041	27%	0.268	C	S	.	.	H	α-helix	trans	-70.2	-27.4	-176	0	0	0	0	0	114.2	L182 L184 W213 N270 N276	L182-A274 HydrophobicContact CD1-CB 3.87Å; L184-A274 HydrophobicContact CD1-CB 4.14Å; W213-A274 HydrophobicContact CH2-CB 3.77Å; W213-A274 HydrophobicContact CZ3-CB 3.59Å; N270-A274 WeakPolarHBondContact O-CB 3.37Å; N270-A274 PolarHBondContact O-N 3.41Å; A274-N276 VanDerWaalsContact C-N 3.32Å
275	L	91	Very high	94.2	Very high	19 Å²	19	52 Å²	52	10%	0.099	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	16.6	177.8	-57.3	-175.5	0	0	0	113	V217 L221 P233 F242 V271 T273	V217-L275 HydrophobicContact CG1-CD2 4.11Å; L221-L275 HydrophobicContact CD1-CD1 4.47Å; L221-L275 HydrophobicContact CD1-CD2 3.76Å; L221-L275 HydrophobicContact CD2-CD2 3.88Å; L221-L275 HydrophobicContact CG-CD2 4.43Å; P233-L275 HydrophobicContact CB-CD1 4.14Å; P233-L275 HydrophobicContact CG-CD1 4.05Å; F242-L275 HydrophobicContact CD1-CD1 3.92Å; F242-L275 HydrophobicContact CE1-CD1 3.96Å; V271-L275 HydrophobicContact CG1-CD1 3.78Å; V271-L275 HydrophobicContact CG1-CG 4.36Å; V271-L275 WeakPolarHBondContact O-CG 3.27Å; V271-L275 PolarHBondContact O-N 2.88Å; T273-L275 VanDerWaalsContact C-N 3.34Å; T273-L275 PolarHBondContact O-N 2.92Å
276	N	89.6	Confident	94.1	Very high	54 Å²	54	54.1 Å²	54.1	29%	0.289	30%	0.299	S	S	.	.	S	Bend	trans	-71.2	132.3	173.1	-78.7	-29.1	0	0	0	109.6	L179 T273 A274 T278	L179-N276 HydrophobicContact CD1-CB 4.11Å; L179-N276 WeakPolarHBondContact CD1-ND2 3.39Å; L179-N276 WeakPolarHBondContact CD2-ND2 3.49Å; T273-N276 WeakPolarHBondContact O-CB 3.41Å; T273-N276 PolarHBondContact O-N 3.12Å; T273-N276 PolarHBondContact O-ND2 3.38Å; A274-N276 VanDerWaalsContact C-N 3.32Å; N276-T278 PolarHBondContact O-N 3.49Å
277	P	91.4	Very high	94.1	Very high	89 Å²	89	53 Å²	53	58%	0.578	29%	0.294	S	S	*	.	P	Polyproline II helix	trans	-60.4	134	-179.6	-24.1	33.4	0	0	0	112	D185 K279	D185-P277 WeakPolarHBondContact OD2-CA 3.37Å; P277-K279 PolarHBondContact O-N 3.37Å
278	T	94.6	Very high	94	Very high	27 Å²	27	53.3 Å²	53.3	17%	0.166	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-65	116.6	168.8	-59.6	0	0	0	0	107.8	D185 N276 N321	D185-T278 PolarHBondContact OD1-N 3.38Å; D185-T278 PolarHBondContact OD1-OG1 2.92Å; D185-T278 PolarHBondContact OD2-N 2.93Å; N276-T278 PolarHBondContact O-N 3.49Å; T278-N321 HydrophobicContact CG2-CB 4.41Å; T278-N321 WeakPolarHBondContact CG2-OD1 3.39Å
279	K	92.8	Very high	93.9	Very high	167 Å²	167	57.7 Å²	57.7	73%	0.726	32%	0.319	S	S	*	.			trans	-153.4	156.1	179.3	67.8	178.3	-176.3	174.2	0	111.7	P277	P277-K279 PolarHBondContact O-N 3.37Å
280	I	94.8	Very high	93.5	Very high	39 Å²	39	50.8 Å²	50.8	20%	0.2	29%	0.292	C	S	.	.			trans	-72	134.8	171.4	-49.8	-176.3	0	0	0	108.5	V284 D285 F288 V314 L322	I280-V284 HydrophobicContact CG2-CB 3.92Å; I280-V284 HydrophobicContact CG2-CG1 3.85Å; I280-D285 HydrophobicContact CG2-CB 4.42Å; I280-F288 HydrophobicContact CD1-CE2 4.18Å; I280-F288 HydrophobicContact CG2-CE2 4.44Å; I280-V314 HydrophobicContact CD1-CG1 3.71Å; I280-V314 HydrophobicContact CD1-CG2 4.35Å; I280-L322 HydrophobicContact CG1-CG 4.21Å
281	S	92.6	Very high	93.2	Very high	43 Å²	43	56.6 Å²	56.6	30%	0.301	32%	0.318	S	S	.	.			trans	-73.3	149.3	176	70.5	0	0	0	0	110.1	G283 V284 D285	S281-G283 PolarHBondContact O-N 3.43Å; S281-V284 PolarHBondContact O-N 2.97Å; S281-V284 WeakPolarHBondContact OG-CG2 3.35Å; S281-V284 PolarHBondContact OG-N 3.23Å; S281-D285 PolarHBondContact O-N 3.04Å
282	S	93.7	Very high	92.9	Very high	96 Å²	96	59.6 Å²	59.6	67%	0.671	33%	0.332	S	S	*	.	H	α-helix	trans	-56.6	-39.6	-179.5	56.3	0	0	0	0	112.2	V284 D285 D286	S282-V284 VanDerWaalsContact C-N 3.32Å; S282-V284 PolarHBondContact O-N 3.21Å; S282-D285 WeakPolarHBondContact O-CB 3.48Å; S282-D285 PolarHBondContact O-N 3.39Å; S282-D286 PolarHBondContact O-N 3.03Å
283	G	93.5	Very high	92.9	Very high	28 Å²	28	56.2 Å²	56.2	29%	0.289	31%	0.314	S	S	.	.	H	α-helix	trans	-63.5	-33.8	178	0	0	0	0	0	113.8	S281 I287	S281-G283 PolarHBondContact O-N 3.43Å; G283-I287 WeakPolarHBondContact O-CD1 3.46Å; G283-I287 VanDerWaalsContact O-CG1 3.23Å; G283-I287 WeakPolarHBondContact O-CG1 3.39Å; G283-I287 PolarHBondContact O-N 3.24Å
284	V	95.2	Very high	92.7	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-76.7	-36.3	174.6	175.1	0	0	0	0	110.8	I280 S281 S282 D286 I287 F288 L322 A386 L389	I280-V284 HydrophobicContact CG2-CB 3.92Å; I280-V284 HydrophobicContact CG2-CG1 3.85Å; S281-V284 PolarHBondContact O-N 2.97Å; S281-V284 WeakPolarHBondContact OG-CG2 3.35Å; S281-V284 PolarHBondContact OG-N 3.23Å; S282-V284 VanDerWaalsContact C-N 3.32Å; S282-V284 PolarHBondContact O-N 3.21Å; V284-D286 VanDerWaalsContact C-N 3.35Å; V284-I287 WeakPolarHBondContact O-CB 3.45Å; V284-I287 PolarHBondContact O-N 2.78Å; V284-F288 HydrophobicContact CG1-CD1 4.41Å; V284-F288 HydrophobicContact CG1-CD2 4.43Å; V284-F288 HydrophobicContact CG1-CE1 3.98Å; V284-F288 HydrophobicContact CG1-CE2 3.99Å; V284-F288 HydrophobicContact CG1-CZ 3.74Å; V284-F288 PolarHBondContact O-N 2.85Å; V284-L322 HydrophobicContact CG1-CD2 4.35Å; V284-A386 WeakPolarHBondContact CG2-O 3.17Å; V284-L389 HydrophobicContact CG2-CB 4.46Å
285	D	95.2	Very high	92.3	Very high	71 Å²	71	62.5 Å²	62.5	38%	0.38	34%	0.344	S	S	.	.	H	α-helix	trans	-62.3	-42.5	174.8	-161.3	59.5	0	0	0	111.5	I280 S281 S282 I287 F288 N289	I280-D285 HydrophobicContact CG2-CB 4.42Å; S281-D285 PolarHBondContact O-N 3.04Å; S282-D285 WeakPolarHBondContact O-CB 3.48Å; S282-D285 PolarHBondContact O-N 3.39Å; D285-I287 VanDerWaalsContact C-N 3.27Å; D285-I287 PolarHBondContact O-N 3.5Å; D285-F288 PolarHBondContact O-N 3.37Å; D285-F288 VanDerWaalsContact O-N 3.11Å; D285-N289 WeakPolarHBondContact O-CB 3.5Å; D285-N289 VanDerWaalsContact O-CG 3.31Å; D285-N289 PolarHBondContact O-N 3.23Å; D285-N289 PolarHBondContact O-ND2 2.83Å; D285-N289 PolarHBondContact OD2-ND2 2.9Å
286	D	95.3	Very high	92.3	Very high	110 Å²	110	62.9 Å²	62.9	59%	0.588	35%	0.346	S	S	*	.	H	α-helix	trans	-59	-38.8	173.4	-66.5	-27.2	0	0	0	111.6	S282 V284 N289 G290	S282-D286 PolarHBondContact O-N 3.03Å; V284-D286 VanDerWaalsContact C-N 3.35Å; D286-N289 PolarHBondContact O-N 3.11Å; D286-G290 PolarHBondContact O-N 3.27Å; D286-G290 VanDerWaalsContact O-N 3.11Å
287	I	96.3	Very high	92.5	Very high	12 Å²	12	63.6 Å²	63.6	6%	0.062	35%	0.352	C	S	.	.	H	α-helix	trans	-67.1	-42.6	175.1	-66.5	166.5	0	0	0	110.5	G283 V284 D285 N289 G290 F303 W304 T307 L389 V391	G283-I287 WeakPolarHBondContact O-CD1 3.46Å; G283-I287 VanDerWaalsContact O-CG1 3.23Å; G283-I287 WeakPolarHBondContact O-CG1 3.39Å; G283-I287 PolarHBondContact O-N 3.24Å; V284-I287 WeakPolarHBondContact O-CB 3.45Å; V284-I287 PolarHBondContact O-N 2.78Å; D285-I287 VanDerWaalsContact C-N 3.27Å; D285-I287 PolarHBondContact O-N 3.5Å; I287-N289 VanDerWaalsContact C-N 3.29Å; I287-N289 PolarHBondContact O-N 3.19Å; I287-G290 PolarHBondContact O-N 3.31Å; I287-F303 HydrophobicContact CG2-CE1 4.33Å; I287-F303 HydrophobicContact CG2-CZ 4.45Å; I287-W304 HydrophobicContact CG2-CH2 3.97Å; I287-W304 HydrophobicContact CG2-CZ3 3.63Å; I287-T307 HydrophobicContact CG2-CG2 3.6Å; I287-L389 HydrophobicContact CD1-CB 3.86Å; I287-V391 HydrophobicContact CD1-CG2 3.91Å; I287-V391 HydrophobicContact CG1-CB 4.48Å; I287-V391 HydrophobicContact CG1-CG2 3.88Å; I287-V391 HydrophobicContact CG2-CG2 4.46Å
288	F	95.4	Very high	92.4	Very high	5 Å²	5	62.3 Å²	62.3	2%	0.022	35%	0.346	C	S	.	.	H	α-helix	trans	-64.4	-33.6	177	-73.8	-8.2	0	0	0	113.3	I280 V284 D285 G290 T307 V310 R311 V314 L322	I280-F288 HydrophobicContact CD1-CE2 4.18Å; I280-F288 HydrophobicContact CG2-CE2 4.44Å; V284-F288 HydrophobicContact CG1-CD1 4.41Å; V284-F288 HydrophobicContact CG1-CD2 4.43Å; V284-F288 HydrophobicContact CG1-CE1 3.98Å; V284-F288 HydrophobicContact CG1-CE2 3.99Å; V284-F288 HydrophobicContact CG1-CZ 3.74Å; V284-F288 PolarHBondContact O-N 2.85Å; D285-F288 PolarHBondContact O-N 3.37Å; D285-F288 VanDerWaalsContact O-N 3.11Å; F288-G290 VanDerWaalsContact C-N 3.32Å; F288-T307 HydrophobicContact CD1-CG2 3.74Å; F288-T307 HydrophobicContact CE1-CG2 4Å; F288-V310 HydrophobicContact CE1-CG1 4.35Å; F288-V310 HydrophobicContact CZ-CB 4.46Å; F288-V310 HydrophobicContact CZ-CG1 3.82Å; F288-R311 HydrophobicContact CB-CG 4.28Å; F288-R311 HydrophobicContact CD1-CB 4.15Å; F288-R311 HydrophobicContact CD2-CB 4.5Å; F288-R311 HydrophobicContact CD2-CG 4.31Å; F288-R311 HydrophobicContact CE1-CB 4.34Å; F288-R311 HydrophobicContact CG-CB 4.24Å; F288-R311 HydrophobicContact CG-CG 4.15Å; F288-R311 WeakPolarHBondContact O-CD 3.31Å; F288-R311 PolarHBondContact O-NH1 2.82Å; F288-V314 HydrophobicContact CE2-CG2 4.07Å; F288-V314 HydrophobicContact CZ-CG2 4.4Å; F288-L322 HydrophobicContact CE2-CD2 3.93Å; F288-L322 HydrophobicContact CZ-CD2 3.69Å
289	N	93.7	Very high	92.3	Very high	103 Å²	103	68.7 Å²	68.7	55%	0.551	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-4.3	178.6	-65.7	-40.1	0	0	0	113.1	D285 D286 I287	D285-N289 WeakPolarHBondContact O-CB 3.5Å; D285-N289 VanDerWaalsContact O-CG 3.31Å; D285-N289 PolarHBondContact O-N 3.23Å; D285-N289 PolarHBondContact O-ND2 2.83Å; D285-N289 PolarHBondContact OD2-ND2 2.9Å; D286-N289 PolarHBondContact O-N 3.11Å; I287-N289 VanDerWaalsContact C-N 3.29Å; I287-N289 PolarHBondContact O-N 3.19Å
290	G	89.8	Confident	92.3	Very high	12 Å²	12	61.3 Å²	61.3	12%	0.124	34%	0.343	C	S	.	.	S	Bend	trans	-64.9	145.3	176.6	0	0	0	0	0	113	D286 I287 F288 Q292 C293	D286-G290 PolarHBondContact O-N 3.27Å; D286-G290 VanDerWaalsContact O-N 3.11Å; I287-G290 PolarHBondContact O-N 3.31Å; F288-G290 VanDerWaalsContact C-N 3.32Å; G290-Q292 PolarHBondContact O-N 3.21Å; G290-C293 WeakPolarHBondContact O-CB 3.38Å; G290-C293 PolarHBondContact O-N 3.3Å
291	E	89.4	Confident	92.3	Very high	165 Å²	165	63 Å²	63	77%	0.771	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-57	-34.7	-179.2	-64.8	-176.5	169.4	0	0	112.7	C293 N294	E291-C293 PolarHBondContact O-N 3.18Å; E291-C293 VanDerWaalsContact O-N 3.14Å; E291-N294 WeakPolarHBondContact O-CB 3.46Å; E291-N294 PolarHBondContact O-N 3.24Å
292	Q	90.1	Very high	92.4	Very high	64 Å²	64	63.2 Å²	63.2	30%	0.299	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-62	-20.9	177.7	-62.2	84.8	-5	0	0	113.6	E167 G290 W304	E167-Q292 PolarHBondContact OE2-NE2 2.97Å; G290-Q292 PolarHBondContact O-N 3.21Å; Q292-W304 HydrophobicContact CB-CD2 3.36Å; Q292-W304 VanDerWaalsContact CB-CE2 3.45Å; Q292-W304 HydrophobicContact CB-CE3 3.65Å; Q292-W304 HydrophobicContact CB-CG 3.77Å; Q292-W304 HydrophobicContact CB-CH2 4.13Å; Q292-W304 HydrophobicContact CB-CZ2 3.87Å; Q292-W304 HydrophobicContact CB-CZ3 4.02Å; Q292-W304 HydrophobicContact CG-CD2 4.19Å; Q292-W304 HydrophobicContact CG-CZ2 3.99Å
293	C	90.2	Very high	92.6	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-89.6	-13.2	178.5	-162	0	0	0	0	112.1	G290 E291 W304 R308 R311	G290-C293 WeakPolarHBondContact O-CB 3.38Å; G290-C293 PolarHBondContact O-N 3.3Å; E291-C293 PolarHBondContact O-N 3.18Å; E291-C293 VanDerWaalsContact O-N 3.14Å; C293-W304 HydrophobicContact CB-CE3 4.32Å; C293-W304 HydrophobicContact CB-CZ3 4.41Å; C293-R308 VanDerWaalsContact O-CD 3.24Å; C293-R308 WeakPolarHBondContact O-CD 3.39Å; C293-R311 PolarHBondContact O-NH2 2.95Å
294	N	87.6	Confident	92.8	Very high	74 Å²	74	58 Å²	58	40%	0.396	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-58.5	-174.1	-67.8	-24.7	0	0	0	112.4	E291 R311	E291-N294 WeakPolarHBondContact O-CB 3.46Å; E291-N294 PolarHBondContact O-N 3.24Å; N294-R311 PolarHBondContact OD1-NH1 3.49Å
295	D	85.9	Confident	92.8	Very high	135 Å²	135	58 Å²	58	72%	0.722	32%	0.318	S	S	*	.	S	Bend	trans	-115.9	106.9	-176.2	-64.5	-46.8	0	0	0	110.7
296	I	91.9	Very high	93	Very high	26 Å²	26	55 Å²	55	13%	0.133	30%	0.301	C	S	.	.			trans	-78.5	132.5	175.8	-54.9	-59.9	0	0	0	109.1	T300 V305 R308 L363 V367	I296-T300 HydrophobicContact CD1-CG2 3.88Å; I296-T300 HydrophobicContact CG2-CG2 4.37Å; I296-V305 HydrophobicContact CG2-CG2 3.99Å; I296-R308 HydrophobicContact CD1-CB 3.79Å; I296-R308 HydrophobicContact CD1-CG 4.05Å; I296-R308 HydrophobicContact CG1-CB 4.11Å; I296-R308 HydrophobicContact CG1-CG 3.82Å; I296-L363 HydrophobicContact CG1-CD2 4.35Å; I296-V367 HydrophobicContact CB-CG1 4.43Å; I296-V367 HydrophobicContact CG2-CG1 4.03Å; I296-V367 VanDerWaalsContact O-CG1 3.25Å; I296-V367 WeakPolarHBondContact O-CG1 3.48Å
297	T	93	Very high	93.1	Very high	69 Å²	69	49.7 Å²	49.7	42%	0.423	27%	0.273	S	S	.	.			trans	-125.5	171.7	178.5	72.2	0	0	0	0	110.5	Q299 T300	T297-Q299 PolarHBondContact O-N 3.3Å; T297-Q299 VanDerWaalsContact O-N 3.15Å; T297-Q299 PolarHBondContact OG1-N 3.04Å; T297-T300 PolarHBondContact N-OG1 2.94Å; T297-T300 WeakPolarHBondContact O-CB 3.31Å; T297-T300 PolarHBondContact O-N 2.89Å; T297-T300 VanDerWaalsContact O-N 3.09Å; T297-T300 PolarHBondContact O-OG1 3.05Å; T297-T300 PolarHBondContact OG1-N 3.48Å; T297-T300 PolarHBondContact OG1-OG1 2.86Å
298	S	90.2	Very high	93.2	Very high	63 Å²	63	51.8 Å²	51.8	44%	0.441	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-16.1	173.7	69.1	0	0	0	0	113.3	K369	S298-K369 WeakPolarHBondContact O-CE 3.46Å; S298-K369 PolarHBondContact O-NZ 3.33Å
299	Q	91.4	Very high	93.3	Very high	160 Å²	160	51.5 Å²	51.5	75%	0.748	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-8.2	176.7	-58.4	-56.5	-30.2	0	0	112.9	T297 P301	T297-Q299 PolarHBondContact O-N 3.3Å; T297-Q299 VanDerWaalsContact O-N 3.15Å; T297-Q299 PolarHBondContact OG1-N 3.04Å; Q299-P301 WeakPolarHBondContact O-CD 3.35Å
300	T	94	Very high	93.5	Very high	13 Å²	13	46.6 Å²	46.6	8%	0.08	25%	0.253	C	S	.	.			trans	-64.8	128.4	-178	-58.6	0	0	0	0	110.8	I296 T297 W304 V305 K369	I296-T300 HydrophobicContact CD1-CG2 3.88Å; I296-T300 HydrophobicContact CG2-CG2 4.37Å; T297-T300 PolarHBondContact N-OG1 2.94Å; T297-T300 WeakPolarHBondContact O-CB 3.31Å; T297-T300 PolarHBondContact O-N 2.89Å; T297-T300 VanDerWaalsContact O-N 3.09Å; T297-T300 PolarHBondContact O-OG1 3.05Å; T297-T300 PolarHBondContact OG1-N 3.48Å; T297-T300 PolarHBondContact OG1-OG1 2.86Å; T300-W304 HydrophobicContact CG2-CB 3.52Å; T300-V305 HydrophobicContact CG2-CG2 4.09Å; T300-K369 PolarHBondContact O-NZ 2.97Å; T300-K369 VanDerWaalsContact O-NZ 3.11Å
301	P	94.3	Very high	93.8	Very high	74 Å²	74	47.4 Å²	47.4	48%	0.481	25%	0.252	S	S	.	.			trans	-63	153.5	176.3	-23.6	33.4	0	0	0	113.1	Q299 F303 W304 V305	Q299-P301 WeakPolarHBondContact O-CD 3.35Å; P301-F303 PolarHBondContact O-N 2.94Å; P301-W304 PolarHBondContact O-N 3.46Å; P301-V305 PolarHBondContact O-N 2.71Å
302	A	95.3	Very high	94.2	Very high	47 Å²	47	41 Å²	41	39%	0.388	22%	0.223	S	C	.	.	H	α-helix	trans	-53.7	-38.7	-179.2	0	0	0	0	0	113.4	W304 V305 M306 I374	A302-W304 PolarHBondContact O-N 3.38Å; A302-V305 PolarHBondContact O-N 3.44Å; A302-M306 HydrophobicContact CB-CE 4.42Å; A302-M306 WeakPolarHBondContact O-CG 3.34Å; A302-M306 PolarHBondContact O-N 2.94Å; A302-I374 HydrophobicContact CB-CD1 3.87Å; A302-I374 HydrophobicContact CB-CG1 3.99Å
303	F	96.8	Very high	94.6	Very high	10 Å²	10	38.2 Å²	38.2	4%	0.044	21%	0.209	C	C	.	.	H	α-helix	trans	-52.7	-51.3	175.5	176.6	-92.3	0	0	0	111.9	T169 I171 I287 P301 M306 T307 F382 L389 V391	T169-F303 HydrophobicContact CG2-CB 4.41Å; T169-F303 HydrophobicContact CG2-CD1 3.51Å; T169-F303 HydrophobicContact CG2-CD2 4.4Å; T169-F303 HydrophobicContact CG2-CE1 3.78Å; T169-F303 HydrophobicContact CG2-CG 3.86Å; T169-F303 HydrophobicContact CG2-CZ 4.33Å; I171-F303 HydrophobicContact CD1-CD2 4.41Å; I171-F303 HydrophobicContact CG1-CD2 3.85Å; I171-F303 HydrophobicContact CG1-CE2 4.13Å; I287-F303 HydrophobicContact CG2-CE1 4.33Å; I287-F303 HydrophobicContact CG2-CZ 4.45Å; P301-F303 PolarHBondContact O-N 2.94Å; F303-M306 PolarHBondContact O-N 3.31Å; F303-T307 WeakPolarHBondContact O-CB 3.28Å; F303-T307 PolarHBondContact O-N 3.39Å; F303-T307 PolarHBondContact O-OG1 2.9Å; F303-F382 AromaticContact CD2-CE2 3.88Å; F303-F382 HydrophobicContact CD2-CE2 3.88Å; F303-F382 HydrophobicContact CE2-CE2 4.05Å; F303-L389 HydrophobicContact CE2-CD2 4.22Å; F303-L389 HydrophobicContact CZ-CB 4.48Å; F303-V391 HydrophobicContact CE1-CG2 3.71Å; F303-V391 HydrophobicContact CZ-CG2 3.76Å
304	W	97.2	Very high	94.9	Very high	4 Å²	4	38.4 Å²	38.4	2%	0.015	21%	0.211	C	C	.	.	H	α-helix	trans	-71.8	-31.3	-177.2	-71.1	115.5	0	0	0	113	E167 I287 Q292 C293 T300 P301 A302 T307 R308 V391	E167-W304 PolarHBondContact OE1-NE1 3.16Å; E167-W304 WeakPolarHBondContact OE2-CZ2 3.09Å; I287-W304 HydrophobicContact CG2-CH2 3.97Å; I287-W304 HydrophobicContact CG2-CZ3 3.63Å; Q292-W304 HydrophobicContact CB-CD2 3.36Å; Q292-W304 VanDerWaalsContact CB-CE2 3.45Å; Q292-W304 HydrophobicContact CB-CE3 3.65Å; Q292-W304 HydrophobicContact CB-CG 3.77Å; Q292-W304 HydrophobicContact CB-CH2 4.13Å; Q292-W304 HydrophobicContact CB-CZ2 3.87Å; Q292-W304 HydrophobicContact CB-CZ3 4.02Å; Q292-W304 HydrophobicContact CG-CD2 4.19Å; Q292-W304 HydrophobicContact CG-CZ2 3.99Å; C293-W304 HydrophobicContact CB-CE3 4.32Å; C293-W304 HydrophobicContact CB-CZ3 4.41Å; T300-W304 HydrophobicContact CG2-CB 3.52Å; P301-W304 PolarHBondContact O-N 3.46Å; A302-W304 PolarHBondContact O-N 3.38Å; W304-T307 HydrophobicContact CE3-CG2 4.13Å; W304-T307 HydrophobicContact CZ3-CG2 4.22Å; W304-R308 WeakPolarHBondContact O-CB 3.12Å; W304-R308 PolarHBondContact O-N 2.87Å; W304-V391 HydrophobicContact CH2-CG2 4.11Å; W304-V391 HydrophobicContact CZ2-CG1 4.37Å; W304-V391 HydrophobicContact CZ2-CG2 4.13Å
305	V	97	Very high	95.3	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.006	22%	0.223	C	C	.	.	H	α-helix	trans	-62.2	-47.8	170.8	179.8	0	0	0	0	110.5	I296 T300 P301 A302 R308 A309 V360 L363 L364 I374	I296-V305 HydrophobicContact CG2-CG2 3.99Å; T300-V305 HydrophobicContact CG2-CG2 4.09Å; P301-V305 PolarHBondContact O-N 2.71Å; A302-V305 PolarHBondContact O-N 3.44Å; V305-R308 PolarHBondContact O-N 2.89Å; V305-A309 PolarHBondContact O-N 3.26Å; V305-V360 HydrophobicContact CG1-CG1 4.31Å; V305-L363 HydrophobicContact CG1-CB 4.27Å; V305-L364 HydrophobicContact CG1-CD2 4.09Å; V305-L364 HydrophobicContact CG1-CG 4.27Å; V305-I374 HydrophobicContact CB-CD1 4.02Å; V305-I374 HydrophobicContact CG1-CD1 3.96Å
306	M	97.8	Very high	95.8	Very high	7 Å²	7	40.7 Å²	40.7	3%	0.034	22%	0.218	C	C	.	.	H	α-helix	trans	-66.6	-40.5	177.4	-69.2	-174.2	-72.7	0	0	112.2	I171 A302 F303 R308 A309 V310 V360 I374 D378 I379 F382	I171-M306 HydrophobicContact CD1-CE 4.08Å; A302-M306 HydrophobicContact CB-CE 4.42Å; A302-M306 WeakPolarHBondContact O-CG 3.34Å; A302-M306 PolarHBondContact O-N 2.94Å; F303-M306 PolarHBondContact O-N 3.31Å; M306-R308 VanDerWaalsContact C-N 3.3Å; M306-R308 PolarHBondContact O-N 3.04Å; M306-A309 PolarHBondContact O-N 2.99Å; M306-V310 WeakPolarHBondContact O-CG2 3.48Å; M306-V310 PolarHBondContact O-N 3.09Å; M306-V360 HydrophobicContact CG-CG2 4.33Å; M306-I374 HydrophobicContact CG-CD1 4.22Å; M306-I374 HydrophobicContact CG-CG2 4.19Å; M306-I374 HydrophobicContact SD-CG2 3.8Å; M306-D378 HydrophobicContact SD-CB 4.39Å; M306-I379 HydrophobicContact SD-CG1 4.3Å; M306-F382 HydrophobicContact CB-CD1 3.9Å; M306-F382 HydrophobicContact CB-CD2 3.67Å; M306-F382 HydrophobicContact CB-CE1 3.91Å; M306-F382 HydrophobicContact CB-CE2 3.69Å; M306-F382 HydrophobicContact CB-CG 3.79Å; M306-F382 HydrophobicContact CB-CZ 3.81Å; M306-F382 HydrophobicContact CE-CD2 3.64Å; M306-F382 HydrophobicContact CE-CE2 4.22Å; M306-F382 HydrophobicContact CE-CG 4.35Å; M306-F382 HydrophobicContact CG-CD2 4.38Å; M306-F382 HydrophobicContact CG-CG 4.44Å; M306-F382 HydrophobicContact SD-CB 3.82Å; M306-F382 HydrophobicContact SD-CD2 3.83Å; M306-F382 HydrophobicContact SD-CG 3.93Å
307	T	98.1	Very high	96	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-55.7	-46.6	172.8	-63.4	0	0	0	0	110.9	I287 F288 F303 W304 V310 R311 F382	I287-T307 HydrophobicContact CG2-CG2 3.6Å; F288-T307 HydrophobicContact CD1-CG2 3.74Å; F288-T307 HydrophobicContact CE1-CG2 4Å; F303-T307 WeakPolarHBondContact O-CB 3.28Å; F303-T307 PolarHBondContact O-N 3.39Å; F303-T307 PolarHBondContact O-OG1 2.9Å; W304-T307 HydrophobicContact CE3-CG2 4.13Å; W304-T307 HydrophobicContact CZ3-CG2 4.22Å; T307-V310 PolarHBondContact O-N 3.41Å; T307-R311 PolarHBondContact O-N 3.27Å; T307-F382 WeakPolarHBondContact OG1-CZ 3.38Å
308	R	97.3	Very high	96	Very high	55 Å²	55	41 Å²	41	21%	0.208	22%	0.221	C	C	.	.	H	α-helix	trans	-64.6	-42.3	178.3	177.3	53.1	169.9	135	11.6	111.9	C293 I296 W304 V305 M306 V310 R311 E312 L363	C293-R308 VanDerWaalsContact O-CD 3.24Å; C293-R308 WeakPolarHBondContact O-CD 3.39Å; I296-R308 HydrophobicContact CD1-CB 3.79Å; I296-R308 HydrophobicContact CD1-CG 4.05Å; I296-R308 HydrophobicContact CG1-CB 4.11Å; I296-R308 HydrophobicContact CG1-CG 3.82Å; W304-R308 WeakPolarHBondContact O-CB 3.12Å; W304-R308 PolarHBondContact O-N 2.87Å; V305-R308 PolarHBondContact O-N 2.89Å; M306-R308 VanDerWaalsContact C-N 3.3Å; M306-R308 PolarHBondContact O-N 3.04Å; R308-V310 PolarHBondContact O-N 3.5Å; R308-R311 VanDerWaalsContact NE-NH2 3.17Å; R308-R311 VanDerWaalsContact NH1-NE 3.19Å; R308-R311 VanDerWaalsContact NH1-NH2 3.16Å; R308-R311 WeakPolarHBondContact O-CB 3.49Å; R308-R311 PolarHBondContact O-N 3.22Å; R308-E312 IonicContact CZ-OE1 2.75Å; R308-E312 IonicContact NE-OE1 2.66Å; R308-E312 PolarHBondContact NE-OE1 2.87Å; R308-E312 VanDerWaalsContact NH1-CG 3.28Å; R308-E312 IonicContact NH1-OE1 3.11Å; R308-E312 PolarHBondContact NH1-OE1 2.87Å; R308-E312 IonicContact NH2-OE1 2.78Å; R308-E312 PolarHBondContact NH2-OE1 3.06Å; R308-E312 WeakPolarHBondContact O-CG 3.38Å; R308-E312 PolarHBondContact O-N 3.45Å; R308-L363 HydrophobicContact CB-CD1 4.05Å; R308-L363 HydrophobicContact CG-CD1 3.72Å; R308-L363 HydrophobicContact CG-CD2 4.02Å
309	A	97.8	Very high	96.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61.6	-42.4	175.8	0	0	0	0	0	112.3	V305 M306 R311 E312 F313 V356 H359 V360 L363	V305-A309 PolarHBondContact O-N 3.26Å; M306-A309 PolarHBondContact O-N 2.99Å; A309-R311 VanDerWaalsContact C-N 3.35Å; A309-E312 PolarHBondContact O-N 3.49Å; A309-F313 PolarHBondContact O-N 3.01Å; A309-V356 HydrophobicContact CB-CG1 4.08Å; A309-H359 HydrophobicContact CB-CB 3.82Å; A309-V360 HydrophobicContact CB-CB 4.37Å; A309-V360 HydrophobicContact CB-CG2 3.38Å; A309-L363 HydrophobicContact CB-CD1 3.94Å
310	V	98.1	Very high	96.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-66.1	-38.4	174.4	175.8	0	0	0	0	111.1	F288 M306 T307 R308 E312 F313 V314 L322 P323 V356 F382 A386	F288-V310 HydrophobicContact CE1-CG1 4.35Å; F288-V310 HydrophobicContact CZ-CB 4.46Å; F288-V310 HydrophobicContact CZ-CG1 3.82Å; M306-V310 WeakPolarHBondContact O-CG2 3.48Å; M306-V310 PolarHBondContact O-N 3.09Å; T307-V310 PolarHBondContact O-N 3.41Å; R308-V310 PolarHBondContact O-N 3.5Å; V310-E312 VanDerWaalsContact C-N 3.29Å; V310-E312 PolarHBondContact O-N 2.77Å; V310-F313 WeakPolarHBondContact O-CB 3.13Å; V310-F313 PolarHBondContact O-N 2.68Å; V310-V314 HydrophobicContact CG1-CG2 4.36Å; V310-V314 WeakPolarHBondContact O-CG2 2.97Å; V310-V314 PolarHBondContact O-N 3.41Å; V310-L322 HydrophobicContact CG1-CD2 3.91Å; V310-P323 HydrophobicContact CG1-CG 4.29Å; V310-V356 HydrophobicContact CG2-CG1 3.89Å; V310-V356 HydrophobicContact CG2-CG2 4.31Å; V310-F382 HydrophobicContact CB-CE1 4.27Å; V310-F382 HydrophobicContact CG2-CD1 3.68Å; V310-F382 HydrophobicContact CG2-CE1 3.59Å; V310-A386 HydrophobicContact CG1-CB 4.33Å
311	R	97.4	Very high	96.5	Very high	28 Å²	28	35.8 Å²	35.8	11%	0.106	22%	0.219	C	C	.	.	H	α-helix	trans	-59.9	-40.5	173.3	-170.6	177.1	75.9	177.1	2	111.4	F288 C293 N294 T307 R308 A309 V314 H315	F288-R311 HydrophobicContact CB-CG 4.28Å; F288-R311 HydrophobicContact CD1-CB 4.15Å; F288-R311 HydrophobicContact CD2-CB 4.5Å; F288-R311 HydrophobicContact CD2-CG 4.31Å; F288-R311 HydrophobicContact CE1-CB 4.34Å; F288-R311 HydrophobicContact CG-CB 4.24Å; F288-R311 HydrophobicContact CG-CG 4.15Å; F288-R311 WeakPolarHBondContact O-CD 3.31Å; F288-R311 PolarHBondContact O-NH1 2.82Å; C293-R311 PolarHBondContact O-NH2 2.95Å; N294-R311 PolarHBondContact OD1-NH1 3.49Å; T307-R311 PolarHBondContact O-N 3.27Å; R308-R311 VanDerWaalsContact NE-NH2 3.17Å; R308-R311 VanDerWaalsContact NH1-NE 3.19Å; R308-R311 VanDerWaalsContact NH1-NH2 3.16Å; R308-R311 WeakPolarHBondContact O-CB 3.49Å; R308-R311 PolarHBondContact O-N 3.22Å; A309-R311 VanDerWaalsContact C-N 3.35Å; R311-V314 PolarHBondContact O-N 3.05Å; R311-H315 PolarHBondContact O-N 2.94Å; R311-H315 PolarHBondContact O-ND1 3.48Å
312	E	97.1	Very high	96.6	Very high	32 Å²	32	33.1 Å²	33.1	15%	0.15	20%	0.2	C	C	.	.	H	α-helix	trans	-67.3	-42.9	175.4	-70.5	-174.6	164.3	0	0	112.2	R308 A309 V310 V314 H315 N316 H359	R308-E312 IonicContact CZ-OE1 2.75Å; R308-E312 IonicContact NE-OE1 2.66Å; R308-E312 PolarHBondContact NE-OE1 2.87Å; R308-E312 VanDerWaalsContact NH1-CG 3.28Å; R308-E312 IonicContact NH1-OE1 3.11Å; R308-E312 PolarHBondContact NH1-OE1 2.87Å; R308-E312 IonicContact NH2-OE1 2.78Å; R308-E312 PolarHBondContact NH2-OE1 3.06Å; R308-E312 WeakPolarHBondContact O-CG 3.38Å; R308-E312 PolarHBondContact O-N 3.45Å; A309-E312 PolarHBondContact O-N 3.49Å; V310-E312 VanDerWaalsContact C-N 3.29Å; V310-E312 PolarHBondContact O-N 2.77Å; E312-V314 VanDerWaalsContact C-N 3.34Å; E312-V314 PolarHBondContact O-N 3.3Å; E312-H315 PolarHBondContact O-N 3.46Å; E312-N316 WeakPolarHBondContact O-CB 3.4Å; E312-N316 PolarHBondContact O-N 3.37Å; E312-N316 PolarHBondContact O-ND2 3.39Å; E312-H359 IonicContact OE2-ND1 3.91Å
313	F	98.3	Very high	96.8	Very high	4 Å²	4	31.1 Å²	31.1	2%	0.018	18%	0.183	C	C	.	.	H	α-helix	trans	-55	-49.6	171.7	171.7	-87.8	0	0	0	111.2	A309 V310 H315 N316 D317 G318 P323 D352 V355 V356	A309-F313 PolarHBondContact O-N 3.01Å; V310-F313 WeakPolarHBondContact O-CB 3.13Å; V310-F313 PolarHBondContact O-N 2.68Å; F313-H315 VanDerWaalsContact C-N 3.26Å; F313-H315 PolarHBondContact O-N 3.12Å; F313-N316 PolarHBondContact O-N 2.96Å; F313-D317 HydrophobicContact CD2-CB 3.79Å; F313-D317 HydrophobicContact CE2-CB 3.97Å; F313-D317 HydrophobicContact CG-CB 4.44Å; F313-D317 CarbonylContact O-C 3.52Å; F313-D317 WeakPolarHBondContact O-CA 3.4Å; F313-D317 PolarHBondContact O-N 3.02Å; F313-G318 PolarHBondContact O-N 2.96Å; F313-P323 HydrophobicContact CD1-CG 3.7Å; F313-P323 HydrophobicContact CE1-CB 4.21Å; F313-P323 HydrophobicContact CE1-CG 3.73Å; F313-P323 HydrophobicContact CG-CG 4.3Å; F313-P323 HydrophobicContact CZ-CB 4.49Å; F313-P323 HydrophobicContact CZ-CG 4.32Å; F313-D352 HydrophobicContact CE2-CB 3.92Å; F313-D352 HydrophobicContact CZ-CB 3.8Å; F313-V355 HydrophobicContact CD2-CB 4.04Å; F313-V355 HydrophobicContact CD2-CG1 3.79Å; F313-V355 HydrophobicContact CE2-CB 4.21Å; F313-V355 HydrophobicContact CE2-CG1 4.27Å; F313-V356 HydrophobicContact CB-CG2 3.79Å; F313-V356 HydrophobicContact CD2-CG2 3.9Å; F313-V356 HydrophobicContact CG-CG2 3.83Å
314	V	97.5	Very high	96.8	Very high	5 Å²	5	30.8 Å²	30.8	3%	0.03	18%	0.182	C	C	.	.	H	α-helix	trans	-55.3	-42.7	-179.7	167.2	0	0	0	0	111.5	I280 F288 V310 R311 E312 G320 N321 L322	I280-V314 HydrophobicContact CD1-CG1 3.71Å; I280-V314 HydrophobicContact CD1-CG2 4.35Å; F288-V314 HydrophobicContact CE2-CG2 4.07Å; F288-V314 HydrophobicContact CZ-CG2 4.4Å; V310-V314 HydrophobicContact CG1-CG2 4.36Å; V310-V314 WeakPolarHBondContact O-CG2 2.97Å; V310-V314 PolarHBondContact O-N 3.41Å; R311-V314 PolarHBondContact O-N 3.05Å; E312-V314 VanDerWaalsContact C-N 3.34Å; E312-V314 PolarHBondContact O-N 3.3Å; V314-G320 WeakPolarHBondContact O-CA 3.4Å; V314-G320 PolarHBondContact O-N 3.31Å; V314-N321 WeakPolarHBondContact CG2-O 3.3Å; V314-L322 HydrophobicContact CG2-CD2 3.86Å
315	H	95.6	Very high	96.8	Very high	141 Å²	141	32.5 Å²	32.5	65%	0.653	19%	0.189	S	C	*	.	H	α-helix	trans	-78	-39.8	-177.4	-74.5	79.5	0	0	0	113.4	R311 E312 F313	R311-H315 PolarHBondContact O-N 2.94Å; R311-H315 PolarHBondContact O-ND1 3.48Å; E312-H315 PolarHBondContact O-N 3.46Å; F313-H315 VanDerWaalsContact C-N 3.26Å; F313-H315 PolarHBondContact O-N 3.12Å
316	N	96.6	Very high	96.7	Very high	116 Å²	116	33.1 Å²	33.1	62%	0.62	20%	0.195	S	C	*	.	H	α-helix	trans	-98.6	-35	-168.4	-63.2	-32.5	0	0	0	113.4	E312 F313	E312-N316 WeakPolarHBondContact O-CB 3.4Å; E312-N316 PolarHBondContact O-N 3.37Å; E312-N316 PolarHBondContact O-ND2 3.39Å; F313-N316 PolarHBondContact O-N 2.96Å
317	D	96.4	Very high	96.5	Very high	85 Å²	85	35 Å²	35	46%	0.455	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.9	-38.4	-165.8	-54.1	-82.4	0	0	0	113	F313 G319 V355 H359	F313-D317 HydrophobicContact CD2-CB 3.79Å; F313-D317 HydrophobicContact CE2-CB 3.97Å; F313-D317 HydrophobicContact CG-CB 4.44Å; F313-D317 CarbonylContact O-C 3.52Å; F313-D317 WeakPolarHBondContact O-CA 3.4Å; F313-D317 PolarHBondContact O-N 3.02Å; D317-G319 VanDerWaalsContact C-N 3.32Å; D317-G319 PolarHBondContact O-N 2.93Å; D317-V355 HydrophobicContact CB-CG1 3.97Å; D317-H359 IonicContact OD2-CD2 3.95Å; D317-H359 IonicContact OD2-CE1 3.48Å; D317-H359 IonicContact OD2-NE2 3.46Å; D317-H359 PolarHBondContact OD2-NE2 3.15Å
318	G	92.4	Very high	96.3	Very high	16 Å²	16	35.7 Å²	35.7	17%	0.165	21%	0.212	C	C	.	.	S	Bend	trans	-82.9	-2.6	-174.2	0	0	0	0	0	114.8	F313 G320 N321	F313-G318 PolarHBondContact O-N 2.96Å; G318-G320 VanDerWaalsContact C-N 3.3Å; G318-G320 PolarHBondContact O-N 2.63Å; G318-N321 WeakPolarHBondContact O-CB 3.34Å; G318-N321 PolarHBondContact O-N 3.47Å; G318-N321 VanDerWaalsContact O-N 3.09Å
319	G	92.9	Very high	96.2	Very high	68 Å²	68	34.6 Å²	34.6	70%	0.701	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.3	35.8	179.7	0	0	0	0	0	113.5	D317	D317-G319 VanDerWaalsContact C-N 3.32Å; D317-G319 PolarHBondContact O-N 2.93Å
320	G	95.1	Very high	96	Very high	42 Å²	42	41 Å²	41	43%	0.433	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.9	2.8	-175.6	0	0	0	0	0	114.7	V314 G318	V314-G320 WeakPolarHBondContact O-CA 3.4Å; V314-G320 PolarHBondContact O-N 3.31Å; G318-G320 VanDerWaalsContact C-N 3.3Å; G318-G320 PolarHBondContact O-N 2.63Å
321	N	96.9	Very high	95.8	Very high	17 Å²	17	41.6 Å²	41.6	9%	0.091	25%	0.25	C	C	.	.	S	Bend	trans	-112.8	156	179.2	-60.8	-67.7	0	0	0	112.7	Q186 T278 V314 G318	Q186-N321 PolarHBondContact OE1-ND2 2.7Å; T278-N321 HydrophobicContact CG2-CB 4.41Å; T278-N321 WeakPolarHBondContact CG2-OD1 3.39Å; V314-N321 WeakPolarHBondContact CG2-O 3.3Å; G318-N321 WeakPolarHBondContact O-CB 3.34Å; G318-N321 PolarHBondContact O-N 3.47Å; G318-N321 VanDerWaalsContact O-N 3.09Å
322	L	98	Very high	95.6	Very high	17 Å²	17	43.4 Å²	43.4	9%	0.089	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-65	161.1	171.2	-64	172.9	0	0	0	111.4	R183 I280 V284 F288 V310 V314 A386 A387	R183-L322 PolarHBondContact NH2-O 3.34Å; I280-L322 HydrophobicContact CG1-CG 4.21Å; V284-L322 HydrophobicContact CG1-CD2 4.35Å; F288-L322 HydrophobicContact CE2-CD2 3.93Å; F288-L322 HydrophobicContact CZ-CD2 3.69Å; V310-L322 HydrophobicContact CG1-CD2 3.91Å; V314-L322 HydrophobicContact CG2-CD2 3.86Å; L322-A386 HydrophobicContact CD2-CB 4.33Å; L322-A387 HydrophobicContact CD1-CB 3.9Å
323	P	98.2	Very high	95.5	Very high	5 Å²	5	42.9 Å²	42.9	3%	0.032	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-50.3	143.1	167.7	-28.7	36.6	0	0	0	112	V310 F313 R325 D352 V356 C383	V310-P323 HydrophobicContact CG1-CG 4.29Å; F313-P323 HydrophobicContact CD1-CG 3.7Å; F313-P323 HydrophobicContact CE1-CB 4.21Å; F313-P323 HydrophobicContact CE1-CG 3.73Å; F313-P323 HydrophobicContact CG-CG 4.3Å; F313-P323 HydrophobicContact CZ-CB 4.49Å; F313-P323 HydrophobicContact CZ-CG 4.32Å; P323-R325 PolarHBondContact O-N 2.81Å; P323-D352 HydrophobicContact CB-CB 3.92Å; P323-V356 HydrophobicContact CG-CG2 3.93Å; P323-C383 HydrophobicContact CB-CB 4.13Å; P323-C383 HydrophobicContact CG-CB 4.46Å
324	V	97.7	Very high	95.3	Very high	3 Å²	3	45.6 Å²	45.6	2%	0.018	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-64	133.2	176.6	174.6	0	0	0	0	110.2	D181 R183 F188 G326 Y345 K348 A349 D352	D181-V324 WeakPolarHBondContact OD2-CA 3.39Å; R183-V324 HydrophobicContact CG-CG2 4.43Å; F188-V324 HydrophobicContact CD1-CG2 4.32Å; F188-V324 HydrophobicContact CE1-CG2 4.37Å; V324-G326 VanDerWaalsContact C-N 3.31Å; V324-G326 PolarHBondContact O-N 3.5Å; V324-Y345 HydrophobicContact CG1-CD1 4.07Å; V324-K348 HydrophobicContact CB-CG 3.99Å; V324-K348 HydrophobicContact CG1-CG 4.37Å; V324-K348 HydrophobicContact CG2-CG 3.71Å; V324-A349 WeakPolarHBondContact O-CB 3.33Å; V324-D352 PolarHBondContact N-OD2 3.24Å
325	R	95.7	Very high	95.1	Very high	40 Å²	40	49.5 Å²	49.5	15%	0.151	31%	0.305	C	S	.	.			trans	-62.3	-36.7	-178.2	-169.6	-177.8	-57.7	157.4	10.6	113.3	L179 E180 D181 P323 S327 K384 F388	L179-R325 PolarHBondContact O-NH1 2.66Å; L179-R325 VanDerWaalsContact O-NH1 3.1Å; L179-R325 PolarHBondContact O-NH2 2.75Å; E180-R325 IonicContact OE2-NH1 3.19Å; D181-R325 HydrophobicContact CB-CB 3.94Å; D181-R325 PolarHBondContact OD2-N 3.25Å; P323-R325 PolarHBondContact O-N 2.81Å; R325-S327 WeakPolarHBondContact CD-OG 3.38Å; R325-K384 HydrophobicContact CG-CG 4.3Å; R325-F388 VanDerWaalsContact CZ-CZ 3.41Å
326	G	94.9	Very high	95.1	Very high	14 Å²	14	49.3 Å²	49.3	14%	0.144	30%	0.304	C	S	.	.			trans	88.2	-3.1	176.2	0	0	0	0	0	116.1	V324 Y345	V324-G326 VanDerWaalsContact C-N 3.31Å; V324-G326 PolarHBondContact O-N 3.5Å; G326-Y345 WeakPolarHBondContact CA-O 3.17Å
327	S	94	Very high	95	Very high	46 Å²	46	45.2 Å²	45.2	32%	0.322	28%	0.281	S	S	.	.			trans	-107.1	147.5	173.7	60.3	0	0	0	0	111.2	R325	R325-S327 WeakPolarHBondContact CD-OG 3.38Å
328	I	95.1	Very high	95	Very high	15 Å²	15	42.7 Å²	42.7	8%	0.077	27%	0.266	C	S	.	.			trans	-128.7	152.5	170.9	58.4	175.2	0	0	0	109	L182 I214 M331 F338 L341 Q342 Y345	L182-I328 HydrophobicContact CD2-CG2 4.5Å; I214-I328 HydrophobicContact CD1-CB 4.25Å; I214-I328 HydrophobicContact CD1-CG2 4.25Å; I328-M331 HydrophobicContact CD1-CE 4.45Å; I328-F338 HydrophobicContact CD1-CE2 4.11Å; I328-F338 HydrophobicContact CG1-CE2 4.36Å; I328-L341 HydrophobicContact CD1-CB 4.31Å; I328-L341 HydrophobicContact CD1-CD2 4.03Å; I328-L341 HydrophobicContact CD1-CG 3.82Å; I328-Q342 HydrophobicContact CD1-CB 4.02Å; I328-Q342 HydrophobicContact CG1-CB 4.34Å; I328-Q342 HydrophobicContact CG1-CG 4.43Å; I328-Y345 HydrophobicContact CG2-CD1 4Å; I328-Y345 HydrophobicContact CG2-CD2 3.57Å; I328-Y345 HydrophobicContact CG2-CE1 4.16Å; I328-Y345 HydrophobicContact CG2-CE2 3.74Å; I328-Y345 HydrophobicContact CG2-CG 3.7Å
329	P	94.4	Very high	95.2	Very high	32 Å²	32	45.8 Å²	45.8	21%	0.208	28%	0.278	C	S	.	.			trans	-66.3	161.3	178.2	28.9	-36	0	0	0	111.3	E180 W213 M331 F338	E180-P329 HydrophobicContact CG-CG 4.16Å; W213-P329 HydrophobicContact CZ2-CG 4.2Å; P329-M331 HydrophobicContact CG-CE 4.18Å; P329-M331 WeakPolarHBondContact O-CE 3.38Å; P329-F338 WeakPolarHBondContact O-CE2 3.38Å
330	D	93.3	Very high	95.4	Very high	135 Å²	135	45.9 Å²	45.9	72%	0.722	26%	0.262	S	S	*	.			trans	-64.8	153.9	168.1	-168.2	30.1	0	0	0	110.6
331	M	94.5	Very high	95.5	Very high	13 Å²	13	43.9 Å²	43.9	6%	0.064	24%	0.241	C	C	.	.			trans	-162.2	160.3	-178.8	56.3	-164.5	77.4	0	0	113.7	P212 W213 I214 I328 P329 A333 F338	P212-M331 HydrophobicContact CB-CG 4.46Å; P212-M331 HydrophobicContact CB-SD 3.59Å; P212-M331 VanDerWaalsContact CB-SD 3.59Å; W213-M331 HydrophobicContact CG-SD 4.42Å; I214-M331 HydrophobicContact CD1-CE 3.46Å; I214-M331 VanDerWaalsContact CD1-CE 3.46Å; I214-M331 HydrophobicContact CD1-SD 4.26Å; I214-M331 HydrophobicContact CG1-CE 3.85Å; I214-M331 HydrophobicContact CG1-SD 4.18Å; I328-M331 HydrophobicContact CD1-CE 4.45Å; P329-M331 HydrophobicContact CG-CE 4.18Å; P329-M331 WeakPolarHBondContact O-CE 3.38Å; M331-A333 HydrophobicContact CG-CB 4.43Å; M331-A333 PolarHBondContact O-N 3.43Å; M331-F338 HydrophobicContact CE-CE2 4.16Å; M331-F338 HydrophobicContact CG-CD2 3.71Å; M331-F338 HydrophobicContact CG-CE2 3.89Å; M331-F338 HydrophobicContact SD-CD2 4.34Å; M331-F338 HydrophobicContact SD-CE2 4.5Å
332	I	92.6	Very high	95.5	Very high	65 Å²	65	46.4 Å²	46.4	33%	0.333	25%	0.252	S	S	.	.	S	Bend	trans	-73.6	102.8	176.5	-58.1	170.6	0	0	0	109.2	E262 N263 E266	E262-I332 HydrophobicContact CB-CD1 3.49Å; E262-I332 VanDerWaalsContact CB-CD1 3.49Å; E262-I332 HydrophobicContact CB-CG2 4.49Å; E262-I332 HydrophobicContact CG-CD1 4.48Å; E262-I332 VanDerWaalsContact OE2-CD1 3.3Å; E262-I332 WeakPolarHBondContact OE2-CD1 3.35Å; N263-I332 HydrophobicContact CB-CB 4.42Å; N263-I332 HydrophobicContact CB-CG2 4.42Å; E266-I332 PolarHBondContact OE2-N 3.05Å
333	A	94.4	Very high	95.5	Very high	22 Å²	22	47.3 Å²	47.3	18%	0.182	26%	0.257	C	S	.	.	S	Bend	trans	-155.8	165.1	179.1	0	0	0	0	0	111.8	H210 P212 M331 F338	H210-A333 WeakPolarHBondContact O-CA 3.41Å; P212-A333 HydrophobicContact CB-CB 4.24Å; P212-A333 HydrophobicContact CG-CB 3.74Å; M331-A333 HydrophobicContact CG-CB 4.43Å; M331-A333 PolarHBondContact O-N 3.43Å; A333-F338 HydrophobicContact CB-CB 4.2Å
334	D	94.8	Very high	95.5	Very high	60 Å²	60	48.3 Å²	48.3	32%	0.321	26%	0.262	S	S	.	.			trans	-64.2	140.8	165.7	179.4	-90.8	0	0	0	110	H210 E336 K337 F338	H210-D334 HydrophobicContact CB-CB 4.01Å; H210-D334 PolarHBondContact O-N 3.33Å; D334-E336 VanDerWaalsContact C-N 3.27Å; D334-E336 PolarHBondContact O-N 2.94Å; D334-E336 VanDerWaalsContact OD1-CB 3.29Å; D334-E336 WeakPolarHBondContact OD1-CB 3.47Å; D334-E336 PolarHBondContact OD1-N 3.09Å; D334-K337 HydrophobicContact CB-CB 4.31Å; D334-K337 HydrophobicContact CB-CD 4.12Å; D334-K337 HydrophobicContact CB-CG 4.17Å; D334-K337 PolarHBondContact O-N 3.47Å; D334-F338 PolarHBondContact O-N 3.13Å
335	S	93.4	Very high	95.5	Very high	88 Å²	88	48.1 Å²	48.1	62%	0.615	26%	0.261	S	S	*	.	H	α-helix	trans	-58.1	-38.3	-175.8	-55.8	0	0	0	0	112.7	I339	S335-I339 WeakPolarHBondContact O-CB 3.45Å; S335-I339 WeakPolarHBondContact O-CD1 3.43Å; S335-I339 WeakPolarHBondContact O-CG1 3.19Å; S335-I339 PolarHBondContact O-N 2.82Å
336	E	95.4	Very high	95.7	Very high	137 Å²	137	51.7 Å²	51.7	64%	0.64	28%	0.275	S	S	*	.	H	α-helix	trans	-69	-44.6	179	-169.5	-178.6	168	0	0	110.7	D334 F338 I339 N340	D334-E336 VanDerWaalsContact C-N 3.27Å; D334-E336 PolarHBondContact O-N 2.94Å; D334-E336 VanDerWaalsContact OD1-CB 3.29Å; D334-E336 WeakPolarHBondContact OD1-CB 3.47Å; D334-E336 PolarHBondContact OD1-N 3.09Å; E336-F338 PolarHBondContact O-N 2.96Å; E336-I339 PolarHBondContact O-N 3.28Å; E336-N340 VanDerWaalsContact O-CB 3.3Å; E336-N340 WeakPolarHBondContact O-CB 3.49Å; E336-N340 PolarHBondContact O-N 3.03Å; E336-N340 PolarHBondContact O-ND2 3.06Å
337	K	94.9	Very high	95.8	Very high	30 Å²	30	55.9 Å²	55.9	13%	0.13	29%	0.291	C	S	.	.	H	α-helix	trans	-61.4	-43.6	177.1	-67.6	-179.4	180	179.7	0	111.8	Y198 D207 T211 P212 D334 L341	Y198-K337 HydrophobicContact CE1-CD 4.2Å; D207-K337 PolarHBondContact O-NZ 2.87Å; D207-K337 IonicContact OD1-NZ 3.14Å; T211-K337 PolarHBondContact OG1-NZ 2.79Å; P212-K337 HydrophobicContact CG-CB 4.09Å; D334-K337 HydrophobicContact CB-CB 4.31Å; D334-K337 HydrophobicContact CB-CD 4.12Å; D334-K337 HydrophobicContact CB-CG 4.17Å; D334-K337 PolarHBondContact O-N 3.47Å; K337-L341 PolarHBondContact O-N 3.28Å; K337-L341 VanDerWaalsContact O-N 3.07Å
338	F	96.3	Very high	96	Very high	32 Å²	32	55.8 Å²	55.8	14%	0.14	28%	0.284	C	S	.	.	H	α-helix	trans	-65.3	-48.2	178	179.3	-104.7	0	0	0	112	I328 P329 M331 A333 D334 E336 N340 L341 Q342	I328-F338 HydrophobicContact CD1-CE2 4.11Å; I328-F338 HydrophobicContact CG1-CE2 4.36Å; P329-F338 WeakPolarHBondContact O-CE2 3.38Å; M331-F338 HydrophobicContact CE-CE2 4.16Å; M331-F338 HydrophobicContact CG-CD2 3.71Å; M331-F338 HydrophobicContact CG-CE2 3.89Å; M331-F338 HydrophobicContact SD-CD2 4.34Å; M331-F338 HydrophobicContact SD-CE2 4.5Å; A333-F338 HydrophobicContact CB-CB 4.2Å; D334-F338 PolarHBondContact O-N 3.13Å; E336-F338 PolarHBondContact O-N 2.96Å; F338-N340 VanDerWaalsContact C-N 3.32Å; F338-N340 PolarHBondContact O-N 3.4Å; F338-L341 PolarHBondContact O-N 3.06Å; F338-Q342 WeakPolarHBondContact O-CB 3.49Å; F338-Q342 PolarHBondContact O-N 3.45Å
339	I	96.4	Very high	96.1	Very high	81 Å²	81	55.9 Å²	55.9	42%	0.415	29%	0.288	S	S	.	.	H	α-helix	trans	-61.8	-41.1	179	-70.6	167	0	0	0	110.8	S335 E336 Q342 N343	S335-I339 WeakPolarHBondContact O-CB 3.45Å; S335-I339 WeakPolarHBondContact O-CD1 3.43Å; S335-I339 WeakPolarHBondContact O-CG1 3.19Å; S335-I339 PolarHBondContact O-N 2.82Å; E336-I339 PolarHBondContact O-N 3.28Å; I339-Q342 PolarHBondContact O-N 3.38Å; I339-N343 WeakPolarHBondContact O-CB 3.41Å; I339-N343 PolarHBondContact O-N 3.16Å; I339-N343 PolarHBondContact O-ND2 3.47Å
340	N	96.8	Very high	96.3	Very high	69 Å²	69	59.2 Å²	59.2	37%	0.369	30%	0.302	S	S	.	.	H	α-helix	trans	-62.2	-46.4	176.9	-72.6	-18.4	0	0	0	111.6	E336 F338 N343 I344	E336-N340 VanDerWaalsContact O-CB 3.3Å; E336-N340 WeakPolarHBondContact O-CB 3.49Å; E336-N340 PolarHBondContact O-N 3.03Å; E336-N340 PolarHBondContact O-ND2 3.06Å; F338-N340 VanDerWaalsContact C-N 3.32Å; F338-N340 PolarHBondContact O-N 3.4Å; N340-N343 PolarHBondContact O-N 3.27Å; N340-I344 WeakPolarHBondContact O-CG1 3.39Å; N340-I344 PolarHBondContact O-N 2.95Å
341	L	97.5	Very high	96.5	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-61.8	-45.6	175.6	-177.5	60.3	0	0	0	111.5	L191 P212 I214 I215 I328 K337 F338 N343 I344 Y345	L191-L341 HydrophobicContact CD1-CD1 4.14Å; P212-L341 HydrophobicContact CB-CD2 3.88Å; P212-L341 HydrophobicContact CG-CD2 4.31Å; I214-L341 HydrophobicContact CB-CD2 4.07Å; I214-L341 HydrophobicContact CD1-CD2 4.23Å; I214-L341 HydrophobicContact CG2-CD2 4.3Å; I215-L341 HydrophobicContact CD1-CD1 4.07Å; I215-L341 HydrophobicContact CD1-CD2 4.48Å; I215-L341 HydrophobicContact CG1-CD2 4.36Å; I328-L341 HydrophobicContact CD1-CB 4.31Å; I328-L341 HydrophobicContact CD1-CD2 4.03Å; I328-L341 HydrophobicContact CD1-CG 3.82Å; K337-L341 PolarHBondContact O-N 3.28Å; K337-L341 VanDerWaalsContact O-N 3.07Å; F338-L341 PolarHBondContact O-N 3.06Å; L341-N343 VanDerWaalsContact C-N 3.32Å; L341-N343 PolarHBondContact O-N 3Å; L341-I344 WeakPolarHBondContact O-CB 3.2Å; L341-I344 PolarHBondContact O-N 3.03Å; L341-Y345 HydrophobicContact CD1-CD2 4.34Å; L341-Y345 HydrophobicContact CD1-CE2 3.84Å; L341-Y345 HydrophobicContact CG-CE2 4.29Å; L341-Y345 WeakPolarHBondContact O-CD2 3.34Å; L341-Y345 PolarHBondContact O-N 3Å
342	Q	97.4	Very high	96.7	Very high	70 Å²	70	56.4 Å²	56.4	33%	0.327	28%	0.284	S	S	.	.	H	α-helix	trans	-59.8	-42.4	177.9	-174.9	-177.7	74.7	0	0	111.9	I328 F338 I339 I344 Y345 R346	I328-Q342 HydrophobicContact CD1-CB 4.02Å; I328-Q342 HydrophobicContact CG1-CB 4.34Å; I328-Q342 HydrophobicContact CG1-CG 4.43Å; F338-Q342 WeakPolarHBondContact O-CB 3.49Å; F338-Q342 PolarHBondContact O-N 3.45Å; I339-Q342 PolarHBondContact O-N 3.38Å; Q342-I344 VanDerWaalsContact C-N 3.3Å; Q342-I344 PolarHBondContact O-N 3.18Å; Q342-Y345 PolarHBondContact O-N 2.98Å; Q342-R346 WeakPolarHBondContact O-CB 3.11Å; Q342-R346 PolarHBondContact O-N 2.99Å
343	N	97.9	Very high	97	Very high	36 Å²	36	53.6 Å²	53.6	19%	0.193	27%	0.271	C	S	.	.	H	α-helix	trans	-62	-36.8	178.4	-75	-29.6	0	0	0	112.2	I339 N340 L341 Y345 R346 E347	I339-N343 WeakPolarHBondContact O-CB 3.41Å; I339-N343 PolarHBondContact O-N 3.16Å; I339-N343 PolarHBondContact O-ND2 3.47Å; N340-N343 PolarHBondContact O-N 3.27Å; L341-N343 VanDerWaalsContact C-N 3.32Å; L341-N343 PolarHBondContact O-N 3Å; N343-Y345 PolarHBondContact O-N 3.46Å; N343-R346 PolarHBondContact O-N 2.86Å; N343-R346 PolarHBondContact OD1-NH2 3.23Å; N343-E347 WeakPolarHBondContact O-CB 3.33Å; N343-E347 VanDerWaalsContact O-CG 3.29Å; N343-E347 WeakPolarHBondContact O-CG 3.46Å; N343-E347 PolarHBondContact O-N 2.9Å
344	I	98.2	Very high	97.2	Very high	26 Å²	26	55.5 Å²	55.5	13%	0.133	28%	0.283	C	S	.	.	H	α-helix	trans	-61	-46.5	177.8	-70.2	160.5	0	0	0	111.4	F188 E190 L191 H194 N340 L341 Q342 K348	F188-I344 HydrophobicContact CE2-CG2 3.58Å; F188-I344 HydrophobicContact CZ-CG2 3.91Å; E190-I344 HydrophobicContact CB-CG2 4.13Å; L191-I344 HydrophobicContact CB-CG2 4.45Å; H194-I344 HydrophobicContact CB-CD1 3.39Å; H194-I344 VanDerWaalsContact CD2-CD1 3.42Å; H194-I344 WeakPolarHBondContact CD2-CD1 3.41Å; H194-I344 WeakPolarHBondContact ND1-CD1 3.37Å; N340-I344 WeakPolarHBondContact O-CG1 3.39Å; N340-I344 PolarHBondContact O-N 2.95Å; L341-I344 WeakPolarHBondContact O-CB 3.2Å; L341-I344 PolarHBondContact O-N 3.03Å; Q342-I344 VanDerWaalsContact C-N 3.3Å; Q342-I344 PolarHBondContact O-N 3.18Å; I344-K348 WeakPolarHBondContact O-CB 3.17Å; I344-K348 PolarHBondContact O-N 3.02Å
345	Y	98.3	Very high	97.3	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-66.3	-41.7	175.9	-77.1	-95.6	0	0	0	111.5	L182 F188 L191 V324 G326 I328 L341 Q342 N343 K348 A349	L182-Y345 PolarHBondContact O-OH 3.48Å; F188-Y345 HydrophobicContact CE1-CD1 4.19Å; F188-Y345 HydrophobicContact CE1-CE1 4.08Å; F188-Y345 HydrophobicContact CZ-CD1 4.23Å; F188-Y345 HydrophobicContact CZ-CE1 4.38Å; F188-Y345 HydrophobicContact CZ-CG 4.4Å; L191-Y345 HydrophobicContact CD1-CE2 3.96Å; L191-Y345 HydrophobicContact CD2-CE1 4.47Å; L191-Y345 WeakPolarHBondContact CD2-OH 3.49Å; V324-Y345 HydrophobicContact CG1-CD1 4.07Å; G326-Y345 WeakPolarHBondContact CA-O 3.17Å; I328-Y345 HydrophobicContact CG2-CD1 4Å; I328-Y345 HydrophobicContact CG2-CD2 3.57Å; I328-Y345 HydrophobicContact CG2-CE1 4.16Å; I328-Y345 HydrophobicContact CG2-CE2 3.74Å; I328-Y345 HydrophobicContact CG2-CG 3.7Å; L341-Y345 HydrophobicContact CD1-CD2 4.34Å; L341-Y345 HydrophobicContact CD1-CE2 3.84Å; L341-Y345 HydrophobicContact CG-CE2 4.29Å; L341-Y345 WeakPolarHBondContact O-CD2 3.34Å; L341-Y345 PolarHBondContact O-N 3Å; Q342-Y345 PolarHBondContact O-N 2.98Å; N343-Y345 PolarHBondContact O-N 3.46Å; Y345-K348 PolarHBondContact O-N 3.45Å; Y345-A349 WeakPolarHBondContact O-CB 3.49Å; Y345-A349 PolarHBondContact O-N 3.35Å
346	R	98.1	Very high	97.6	Very high	115 Å²	115	50.3 Å²	50.3	43%	0.434	25%	0.249	S	C	.	.	H	α-helix	trans	-62.3	-45.8	179.5	-172.8	-179.1	71.4	-176.6	-0.3	112	Q342 N343 A349 M350	Q342-R346 WeakPolarHBondContact O-CB 3.11Å; Q342-R346 PolarHBondContact O-N 2.99Å; N343-R346 PolarHBondContact O-N 2.86Å; N343-R346 PolarHBondContact OD1-NH2 3.23Å; R346-A349 PolarHBondContact O-N 2.83Å; R346-M350 HydrophobicContact CG-CE 3.93Å; R346-M350 WeakPolarHBondContact O-CG 3.27Å; R346-M350 PolarHBondContact O-N 2.95Å
347	E	98.1	Very high	97.7	Very high	102 Å²	102	44.7 Å²	44.7	48%	0.477	23%	0.225	S	C	.	.	H	α-helix	trans	-64.6	-43.6	177.9	-74.8	174.7	-169.8	0	0	111	N343 A349 M350 Q351	N343-E347 WeakPolarHBondContact O-CB 3.33Å; N343-E347 VanDerWaalsContact O-CG 3.29Å; N343-E347 WeakPolarHBondContact O-CG 3.46Å; N343-E347 PolarHBondContact O-N 2.9Å; E347-A349 VanDerWaalsContact C-N 3.35Å; E347-A349 PolarHBondContact O-N 2.89Å; E347-M350 WeakPolarHBondContact O-CB 3.4Å; E347-M350 PolarHBondContact O-N 3.06Å; E347-Q351 WeakPolarHBondContact O-CG 3.45Å; E347-Q351 PolarHBondContact O-N 2.78Å
348	K	98.1	Very high	97.8	Very high	43 Å²	43	49.3 Å²	49.3	19%	0.187	25%	0.245	C	C	.	.	H	α-helix	trans	-60.5	-43.5	175.4	180	55.6	-179.9	159.5	0	112.1	F188 V324 I344 Y345 M350 Q351 D352	F188-K348 HydrophobicContact CD1-CG 4.16Å; F188-K348 HydrophobicContact CD2-CB 4.16Å; F188-K348 HydrophobicContact CD2-CD 4.14Å; F188-K348 HydrophobicContact CD2-CG 3.86Å; F188-K348 HydrophobicContact CE1-CG 4.17Å; F188-K348 HydrophobicContact CE2-CB 3.68Å; F188-K348 HydrophobicContact CE2-CG 3.83Å; F188-K348 HydrophobicContact CG-CD 4.32Å; F188-K348 HydrophobicContact CG-CG 4.01Å; F188-K348 HydrophobicContact CZ-CB 3.88Å; F188-K348 HydrophobicContact CZ-CG 4Å; V324-K348 HydrophobicContact CB-CG 3.99Å; V324-K348 HydrophobicContact CG1-CG 4.37Å; V324-K348 HydrophobicContact CG2-CG 3.71Å; I344-K348 WeakPolarHBondContact O-CB 3.17Å; I344-K348 PolarHBondContact O-N 3.02Å; Y345-K348 PolarHBondContact O-N 3.45Å; K348-M350 VanDerWaalsContact C-N 3.33Å; K348-M350 PolarHBondContact O-N 2.96Å; K348-Q351 WeakPolarHBondContact O-CB 3.29Å; K348-Q351 PolarHBondContact O-N 2.98Å; K348-D352 WeakPolarHBondContact CE-OD1 3.29Å; K348-D352 IonicContact NZ-OD1 2.86Å; K348-D352 PolarHBondContact NZ-OD1 2.65Å; K348-D352 IonicContact NZ-OD2 2.99Å; K348-D352 PolarHBondContact O-N 3.31Å
349	A	98.1	Very high	97.9	Very high	18 Å²	18	49.2 Å²	49.2	15%	0.149	25%	0.245	C	C	.	.	H	α-helix	trans	-62.3	-38.5	175.8	0	0	0	0	0	112.7	V324 Y345 R346 E347 D352 A353	V324-A349 WeakPolarHBondContact O-CB 3.33Å; Y345-A349 WeakPolarHBondContact O-CB 3.49Å; Y345-A349 PolarHBondContact O-N 3.35Å; R346-A349 PolarHBondContact O-N 2.83Å; E347-A349 VanDerWaalsContact C-N 3.35Å; E347-A349 PolarHBondContact O-N 2.89Å; A349-D352 PolarHBondContact O-N 3.42Å; A349-A353 VanDerWaalsContact O-CB 3.31Å; A349-A353 WeakPolarHBondContact O-CB 3.47Å; A349-A353 PolarHBondContact O-N 3.5Å
350	M	98	Very high	97.9	Very high	102 Å²	102	45.5 Å²	45.5	50%	0.502	23%	0.226	S	C	.	.	H	α-helix	trans	-65.4	-40.4	174.3	-72	178.4	-179.4	0	0	112.2	R346 E347 K348 S354	R346-M350 HydrophobicContact CG-CE 3.93Å; R346-M350 WeakPolarHBondContact O-CG 3.27Å; R346-M350 PolarHBondContact O-N 2.95Å; E347-M350 WeakPolarHBondContact O-CB 3.4Å; E347-M350 PolarHBondContact O-N 3.06Å; K348-M350 VanDerWaalsContact C-N 3.33Å; K348-M350 PolarHBondContact O-N 2.96Å; M350-S354 PolarHBondContact O-N 2.91Å
351	Q	97.9	Very high	97.9	Very high	84 Å²	84	45.8 Å²	45.8	39%	0.393	23%	0.225	S	C	.	.	H	α-helix	trans	-63.3	-48.2	175.4	-68.5	170.7	12	0	0	111.1	E347 K348 A353 S354 V355	E347-Q351 WeakPolarHBondContact O-CG 3.45Å; E347-Q351 PolarHBondContact O-N 2.78Å; K348-Q351 WeakPolarHBondContact O-CB 3.29Å; K348-Q351 PolarHBondContact O-N 2.98Å; Q351-A353 VanDerWaalsContact C-N 3.34Å; Q351-A353 PolarHBondContact O-N 2.9Å; Q351-S354 WeakPolarHBondContact O-CB 3.43Å; Q351-S354 PolarHBondContact O-N 3.03Å; Q351-S354 VanDerWaalsContact O-N 3.14Å; Q351-V355 WeakPolarHBondContact O-CG2 3.22Å; Q351-V355 PolarHBondContact O-N 3.43Å
352	D	98.3	Very high	97.9	Very high	5 Å²	5	49 Å²	49	3%	0.027	25%	0.248	C	C	.	.	H	α-helix	trans	-61.2	-43.4	178.7	-69.9	-6	0	0	0	111.1	F313 P323 V324 K348 A349 S354 V355 V356	F313-D352 HydrophobicContact CE2-CB 3.92Å; F313-D352 HydrophobicContact CZ-CB 3.8Å; P323-D352 HydrophobicContact CB-CB 3.92Å; V324-D352 PolarHBondContact N-OD2 3.24Å; K348-D352 WeakPolarHBondContact CE-OD1 3.29Å; K348-D352 IonicContact NZ-OD1 2.86Å; K348-D352 PolarHBondContact NZ-OD1 2.65Å; K348-D352 IonicContact NZ-OD2 2.99Å; K348-D352 PolarHBondContact O-N 3.31Å; A349-D352 PolarHBondContact O-N 3.42Å; D352-S354 VanDerWaalsContact C-N 3.31Å; D352-S354 PolarHBondContact O-N 2.73Å; D352-V355 PolarHBondContact O-N 3.19Å; D352-V355 VanDerWaalsContact O-N 3.16Å; D352-V356 WeakPolarHBondContact O-CG2 3.41Å; D352-V356 PolarHBondContact O-N 3.15Å
353	A	98.3	Very high	97.8	Very high	6 Å²	6	46.4 Å²	46.4	5%	0.05	24%	0.236	C	C	.	.	H	α-helix	trans	-62.5	-35.8	175.3	0	0	0	0	0	112.9	A349 Q351 V355 V356 S357 K380 C383	A349-A353 VanDerWaalsContact O-CB 3.31Å; A349-A353 WeakPolarHBondContact O-CB 3.47Å; A349-A353 PolarHBondContact O-N 3.5Å; Q351-A353 VanDerWaalsContact C-N 3.34Å; Q351-A353 PolarHBondContact O-N 2.9Å; A353-V355 VanDerWaalsContact C-N 3.35Å; A353-V356 PolarHBondContact O-N 2.78Å; A353-S357 PolarHBondContact O-N 2.9Å; A353-K380 HydrophobicContact CB-CG 4.18Å; A353-C383 HydrophobicContact CB-CB 4.29Å
354	S	98.1	Very high	97.7	Very high	62 Å²	62	44.8 Å²	44.8	43%	0.434	23%	0.227	S	C	.	.	H	α-helix	trans	-65.8	-37	174.2	-178.4	0	0	0	0	112.2	M350 Q351 D352 S357 K358	M350-S354 PolarHBondContact O-N 2.91Å; Q351-S354 WeakPolarHBondContact O-CB 3.43Å; Q351-S354 PolarHBondContact O-N 3.03Å; Q351-S354 VanDerWaalsContact O-N 3.14Å; D352-S354 VanDerWaalsContact C-N 3.31Å; D352-S354 PolarHBondContact O-N 2.73Å; S354-S357 WeakPolarHBondContact O-CB 3.11Å; S354-S357 PolarHBondContact O-N 3.25Å; S354-K358 WeakPolarHBondContact O-CG 3.44Å; S354-K358 PolarHBondContact O-N 3.27Å
355	V	98.4	Very high	97.5	Very high	37 Å²	37	49.6 Å²	49.6	22%	0.224	25%	0.249	C	C	.	.	H	α-helix	trans	-66.9	-45.4	174	179.1	0	0	0	0	110.6	F313 D317 Q351 D352 A353 S357 K358 H359	F313-V355 HydrophobicContact CD2-CB 4.04Å; F313-V355 HydrophobicContact CD2-CG1 3.79Å; F313-V355 HydrophobicContact CE2-CB 4.21Å; F313-V355 HydrophobicContact CE2-CG1 4.27Å; D317-V355 HydrophobicContact CB-CG1 3.97Å; Q351-V355 WeakPolarHBondContact O-CG2 3.22Å; Q351-V355 PolarHBondContact O-N 3.43Å; D352-V355 PolarHBondContact O-N 3.19Å; D352-V355 VanDerWaalsContact O-N 3.16Å; A353-V355 VanDerWaalsContact C-N 3.35Å; V355-S357 VanDerWaalsContact C-N 3.27Å; V355-S357 PolarHBondContact O-N 2.85Å; V355-K358 WeakPolarHBondContact O-CB 3.42Å; V355-K358 PolarHBondContact O-N 3.3Å; V355-K358 VanDerWaalsContact O-N 3.15Å; V355-H359 PolarHBondContact O-CD2 3.41Å; V355-H359 PolarHBondContact O-N 3.19Å
356	V	98.4	Very high	97.3	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.006	28%	0.278	C	S	.	.	H	α-helix	trans	-59.1	-39.5	174.5	175.8	0	0	0	0	111.3	A309 V310 F313 P323 D352 A353 K358 H359 V360 I379	A309-V356 HydrophobicContact CB-CG1 4.08Å; V310-V356 HydrophobicContact CG2-CG1 3.89Å; V310-V356 HydrophobicContact CG2-CG2 4.31Å; F313-V356 HydrophobicContact CB-CG2 3.79Å; F313-V356 HydrophobicContact CD2-CG2 3.9Å; F313-V356 HydrophobicContact CG-CG2 3.83Å; P323-V356 HydrophobicContact CG-CG2 3.93Å; D352-V356 WeakPolarHBondContact O-CG2 3.41Å; D352-V356 PolarHBondContact O-N 3.15Å; A353-V356 PolarHBondContact O-N 2.78Å; V356-K358 VanDerWaalsContact C-N 3.32Å; V356-K358 PolarHBondContact O-N 3.49Å; V356-H359 WeakPolarHBondContact O-CB 3.21Å; V356-H359 PolarHBondContact O-N 2.92Å; V356-H359 VanDerWaalsContact O-N 3.13Å; V356-V360 HydrophobicContact CG1-CG2 4.39Å; V356-V360 WeakPolarHBondContact O-CG2 3.39Å; V356-V360 PolarHBondContact O-N 3.29Å; V356-I379 HydrophobicContact CB-CG2 4.4Å; V356-I379 HydrophobicContact CG1-CG2 4Å
357	S	98	Very high	97.1	Very high	19 Å²	19	49.7 Å²	49.7	13%	0.133	27%	0.266	C	S	.	.	H	α-helix	trans	-57.5	-43.2	175.6	-166.5	0	0	0	0	112.5	A353 S354 V355 H359 V360 E361	A353-S357 PolarHBondContact O-N 2.9Å; S354-S357 WeakPolarHBondContact O-CB 3.11Å; S354-S357 PolarHBondContact O-N 3.25Å; V355-S357 VanDerWaalsContact C-N 3.27Å; V355-S357 PolarHBondContact O-N 2.85Å; S357-H359 VanDerWaalsContact C-N 3.31Å; S357-H359 PolarHBondContact O-N 2.89Å; S357-V360 WeakPolarHBondContact O-CB 3.3Å; S357-V360 PolarHBondContact O-N 3.46Å; S357-E361 WeakPolarHBondContact O-CG 3.43Å; S357-E361 PolarHBondContact O-N 3.47Å; S357-E361 PolarHBondContact OG-OE1 2.8Å
358	K	97.6	Very high	96.8	Very high	127 Å²	127	48.1 Å²	48.1	55%	0.552	28%	0.278	S	S	*	.	H	α-helix	trans	-62.9	-38.6	176.7	-66.3	171.3	-174.5	173.9	0	112.1	S354 V355 V356 E361 S362	S354-K358 WeakPolarHBondContact O-CG 3.44Å; S354-K358 PolarHBondContact O-N 3.27Å; V355-K358 WeakPolarHBondContact O-CB 3.42Å; V355-K358 PolarHBondContact O-N 3.3Å; V355-K358 VanDerWaalsContact O-N 3.15Å; V356-K358 VanDerWaalsContact C-N 3.32Å; V356-K358 PolarHBondContact O-N 3.49Å; K358-E361 PolarHBondContact O-N 3.14Å; K358-S362 WeakPolarHBondContact O-CB 3.4Å; K358-S362 PolarHBondContact O-N 3.1Å
359	H	97.6	Very high	96.6	Very high	31 Å²	31	49 Å²	49	14%	0.144	28%	0.281	C	S	.	.	H	α-helix	trans	-65.5	-43.7	174.1	-67.6	-50	0	0	0	111.3	A309 E312 D317 V355 V356 S357 E361 S362 L363	A309-H359 HydrophobicContact CB-CB 3.82Å; E312-H359 IonicContact OE2-ND1 3.91Å; D317-H359 IonicContact OD2-CD2 3.95Å; D317-H359 IonicContact OD2-CE1 3.48Å; D317-H359 IonicContact OD2-NE2 3.46Å; D317-H359 PolarHBondContact OD2-NE2 3.15Å; V355-H359 PolarHBondContact O-CD2 3.41Å; V355-H359 PolarHBondContact O-N 3.19Å; V356-H359 WeakPolarHBondContact O-CB 3.21Å; V356-H359 PolarHBondContact O-N 2.92Å; V356-H359 VanDerWaalsContact O-N 3.13Å; S357-H359 VanDerWaalsContact C-N 3.31Å; S357-H359 PolarHBondContact O-N 2.89Å; H359-E361 PolarHBondContact O-N 2.95Å; H359-S362 PolarHBondContact O-N 2.76Å; H359-L363 WeakPolarHBondContact O-CB 3.46Å; H359-L363 VanDerWaalsContact O-CG 3.23Å; H359-L363 WeakPolarHBondContact O-CG 3.44Å; H359-L363 PolarHBondContact O-N 2.86Å
360	V	97.6	Very high	96.3	Very high	2 Å²	2	52 Å²	52	1%	0.012	30%	0.3	C	S	.	.	H	α-helix	trans	-58.1	-48.7	174.2	172.8	0	0	0	0	111.1	V305 M306 A309 V356 S357 S362 L363 L364 I374 I379	V305-V360 HydrophobicContact CG1-CG1 4.31Å; M306-V360 HydrophobicContact CG-CG2 4.33Å; A309-V360 HydrophobicContact CB-CB 4.37Å; A309-V360 HydrophobicContact CB-CG2 3.38Å; V356-V360 HydrophobicContact CG1-CG2 4.39Å; V356-V360 WeakPolarHBondContact O-CG2 3.39Å; V356-V360 PolarHBondContact O-N 3.29Å; S357-V360 WeakPolarHBondContact O-CB 3.3Å; S357-V360 PolarHBondContact O-N 3.46Å; V360-S362 PolarHBondContact O-N 2.81Å; V360-L363 PolarHBondContact O-N 3.5Å; V360-L364 HydrophobicContact CG1-CD1 3.73Å; V360-L364 HydrophobicContact CG1-CG 4.24Å; V360-L364 VanDerWaalsContact O-CG 3.29Å; V360-L364 WeakPolarHBondContact O-CG 3.26Å; V360-L364 PolarHBondContact O-N 3.45Å; V360-I374 HydrophobicContact CG1-CB 4.37Å; V360-I374 HydrophobicContact CG1-CD1 3.97Å; V360-I379 HydrophobicContact CB-CD1 4.18Å; V360-I379 HydrophobicContact CG1-CD1 4.11Å; V360-I379 HydrophobicContact CG2-CD1 4.23Å; V360-I379 HydrophobicContact CG2-CG1 4.42Å
361	E	96.8	Very high	95.8	Very high	76 Å²	76	49.1 Å²	49.1	36%	0.355	29%	0.29	S	S	.	.	H	α-helix	trans	-58.8	-45.9	178.4	-73.4	165	-146.8	0	0	111.9	S357 K358 H359 L363 L364 Q365	S357-E361 WeakPolarHBondContact O-CG 3.43Å; S357-E361 PolarHBondContact O-N 3.47Å; S357-E361 PolarHBondContact OG-OE1 2.8Å; K358-E361 PolarHBondContact O-N 3.14Å; H359-E361 PolarHBondContact O-N 2.95Å; E361-L363 PolarHBondContact O-N 3.37Å; E361-L364 PolarHBondContact O-N 3.21Å; E361-Q365 WeakPolarHBondContact O-CB 3.31Å; E361-Q365 VanDerWaalsContact O-CG 3.23Å; E361-Q365 WeakPolarHBondContact O-CG 3.25Å; E361-Q365 PolarHBondContact O-N 2.82Å
362	S	96.1	Very high	95.4	Very high	68 Å²	68	52.3 Å²	52.3	48%	0.476	31%	0.305	S	S	.	.	H	α-helix	trans	-59.6	-45.6	176.2	-178	0	0	0	0	111.9	K358 H359 V360 Q365 S366	K358-S362 WeakPolarHBondContact O-CB 3.4Å; K358-S362 PolarHBondContact O-N 3.1Å; H359-S362 PolarHBondContact O-N 2.76Å; V360-S362 PolarHBondContact O-N 2.81Å; S362-Q365 PolarHBondContact O-N 3.37Å; S362-S366 WeakPolarHBondContact O-CB 3.47Å; S362-S366 PolarHBondContact O-N 2.89Å
363	L	95.8	Very high	95	Very high	15 Å²	15	55.1 Å²	55.1	8%	0.079	32%	0.324	C	S	.	.	H	α-helix	trans	-63.9	-44.8	178.2	-69.6	168.1	0	0	0	111.6	I296 V305 R308 A309 H359 V360 E361 S366 V367	I296-L363 HydrophobicContact CG1-CD2 4.35Å; V305-L363 HydrophobicContact CG1-CB 4.27Å; R308-L363 HydrophobicContact CB-CD1 4.05Å; R308-L363 HydrophobicContact CG-CD1 3.72Å; R308-L363 HydrophobicContact CG-CD2 4.02Å; A309-L363 HydrophobicContact CB-CD1 3.94Å; H359-L363 WeakPolarHBondContact O-CB 3.46Å; H359-L363 VanDerWaalsContact O-CG 3.23Å; H359-L363 WeakPolarHBondContact O-CG 3.44Å; H359-L363 PolarHBondContact O-N 2.86Å; V360-L363 PolarHBondContact O-N 3.5Å; E361-L363 PolarHBondContact O-N 3.37Å; L363-S366 PolarHBondContact O-N 2.96Å; L363-S366 PolarHBondContact O-OG 2.93Å; L363-V367 PolarHBondContact O-N 3.29Å
364	L	95.5	Very high	94.8	Very high	2 Å²	2	55.4 Å²	55.4	1%	0.01	33%	0.325	C	S	.	.	H	α-helix	trans	-62.9	-44	177.8	-69.5	171.7	0	0	0	111.8	V305 V360 E361 S366 V367 G368 K369 S373 I374	V305-L364 HydrophobicContact CG1-CD2 4.09Å; V305-L364 HydrophobicContact CG1-CG 4.27Å; V360-L364 HydrophobicContact CG1-CD1 3.73Å; V360-L364 HydrophobicContact CG1-CG 4.24Å; V360-L364 VanDerWaalsContact O-CG 3.29Å; V360-L364 WeakPolarHBondContact O-CG 3.26Å; V360-L364 PolarHBondContact O-N 3.45Å; E361-L364 PolarHBondContact O-N 3.21Å; L364-S366 VanDerWaalsContact C-N 3.29Å; L364-S366 PolarHBondContact O-N 3.3Å; L364-V367 CarbonylContact O-C 3.59Å; L364-V367 WeakPolarHBondContact O-CG2 3.16Å; L364-V367 PolarHBondContact O-N 3.15Å; L364-G368 PolarHBondContact O-N 3.31Å; L364-G368 VanDerWaalsContact O-N 3.14Å; L364-K369 CarbonylContact C-O 3.58Å; L364-K369 HydrophobicContact CB-CB 4.14Å; L364-K369 HydrophobicContact CD2-CB 3.81Å; L364-K369 HydrophobicContact CD2-CD 3.87Å; L364-K369 HydrophobicContact CD2-CG 4.47Å; L364-K369 PolarHBondContact O-N 3.43Å; L364-S373 WeakPolarHBondContact CD1-OG 3.32Å; L364-S373 WeakPolarHBondContact CD2-OG 3.36Å; L364-I374 HydrophobicContact CD1-CD1 4.36Å; L364-I374 HydrophobicContact CD1-CG1 4.37Å; L364-I374 HydrophobicContact CD2-CD1 4.4Å
365	Q	94.9	Very high	94.7	Very high	126 Å²	126	54.7 Å²	54.7	59%	0.589	32%	0.32	S	S	*	.	H	α-helix	trans	-60.6	-39.3	175.4	-73	173.2	14.1	0	0	111.8	E361 S362 V367 G368	E361-Q365 WeakPolarHBondContact O-CB 3.31Å; E361-Q365 VanDerWaalsContact O-CG 3.23Å; E361-Q365 WeakPolarHBondContact O-CG 3.25Å; E361-Q365 PolarHBondContact O-N 2.82Å; S362-Q365 PolarHBondContact O-N 3.37Å; Q365-V367 PolarHBondContact O-N 3.19Å; Q365-G368 PolarHBondContact O-N 3.05Å; Q365-G368 VanDerWaalsContact O-N 3.14Å
366	S	94.1	Very high	94.5	Very high	88 Å²	88	58.6 Å²	58.6	62%	0.615	34%	0.336	S	S	*	.	H	α-helix	trans	-62.7	-26.3	179.4	80	0	0	0	0	113.6	S362 L363 L364	S362-S366 WeakPolarHBondContact O-CB 3.47Å; S362-S366 PolarHBondContact O-N 2.89Å; L363-S366 PolarHBondContact O-N 2.96Å; L363-S366 PolarHBondContact O-OG 2.93Å; L364-S366 VanDerWaalsContact C-N 3.29Å; L364-S366 PolarHBondContact O-N 3.3Å
367	V	93.9	Very high	94.3	Very high	29 Å²	29	66.1 Å²	66.1	18%	0.176	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	10.1	178.5	-58.5	0	0	0	0	113.5	I296 L363 L364 Q365 K369	I296-V367 HydrophobicContact CB-CG1 4.43Å; I296-V367 HydrophobicContact CG2-CG1 4.03Å; I296-V367 VanDerWaalsContact O-CG1 3.25Å; I296-V367 WeakPolarHBondContact O-CG1 3.48Å; L363-V367 PolarHBondContact O-N 3.29Å; L364-V367 CarbonylContact O-C 3.59Å; L364-V367 WeakPolarHBondContact O-CG2 3.16Å; L364-V367 PolarHBondContact O-N 3.15Å; Q365-V367 PolarHBondContact O-N 3.19Å; V367-K369 VanDerWaalsContact C-N 3.33Å; V367-K369 HydrophobicContact CG2-CB 4.26Å; V367-K369 HydrophobicContact CG2-CD 4.33Å; V367-K369 HydrophobicContact CG2-CG 4.11Å; V367-K369 PolarHBondContact O-N 3.44Å
368	G	91.8	Very high	94.2	Very high	70 Å²	70	68.8 Å²	68.8	72%	0.722	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.2	22.4	178	0	0	0	0	0	114.9	L364 Q365	L364-G368 PolarHBondContact O-N 3.31Å; L364-G368 VanDerWaalsContact O-N 3.14Å; Q365-G368 PolarHBondContact O-N 3.05Å; Q365-G368 VanDerWaalsContact O-N 3.14Å
369	K	92.8	Very high	94.2	Very high	60 Å²	60	63 Å²	63	26%	0.261	36%	0.358	S	S	.	.			trans	-90.6	146.3	172.5	-78.4	-172.7	175.2	175	0	111.2	S298 T300 L364 V367	S298-K369 WeakPolarHBondContact O-CE 3.46Å; S298-K369 PolarHBondContact O-NZ 3.33Å; T300-K369 PolarHBondContact O-NZ 2.97Å; T300-K369 VanDerWaalsContact O-NZ 3.11Å; L364-K369 CarbonylContact C-O 3.58Å; L364-K369 HydrophobicContact CB-CB 4.14Å; L364-K369 HydrophobicContact CD2-CB 3.81Å; L364-K369 HydrophobicContact CD2-CD 3.87Å; L364-K369 HydrophobicContact CD2-CG 4.47Å; L364-K369 PolarHBondContact O-N 3.43Å; V367-K369 VanDerWaalsContact C-N 3.33Å; V367-K369 HydrophobicContact CG2-CB 4.26Å; V367-K369 HydrophobicContact CG2-CD 4.33Å; V367-K369 HydrophobicContact CG2-CG 4.11Å; V367-K369 PolarHBondContact O-N 3.44Å
370	P	91.9	Very high	94.2	Very high	82 Å²	82	65.8 Å²	65.8	53%	0.532	37%	0.37	S	S	.	.			trans	-60.2	142.6	171.7	-20.5	32	0	0	0	111.8	E372 S373	P370-E372 WeakPolarHBondContact CB-OE2 3.49Å; P370-E372 PolarHBondContact O-N 2.94Å; P370-S373 VanDerWaalsContact O-CB 3.31Å; P370-S373 WeakPolarHBondContact O-CB 3.35Å; P370-S373 PolarHBondContact O-N 3.11Å; P370-S373 VanDerWaalsContact O-N 3.16Å; P370-S373 PolarHBondContact O-OG 3.5Å
371	S	87.6	Confident	94.1	Very high	42 Å²	42	67.9 Å²	67.9	29%	0.294	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-58.2	-30.5	174.7	26.4	0	0	0	0	112.4	S373	S371-S373 PolarHBondContact O-N 3.14Å
372	E	89.1	Confident	94.1	Very high	151 Å²	151	64.3 Å²	64.3	71%	0.706	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-81.2	2.2	-177.1	-52.5	71.7	-149.4	0	0	113	P370 I374	P370-E372 WeakPolarHBondContact CB-OE2 3.49Å; P370-E372 PolarHBondContact O-N 2.94Å; E372-I374 PolarHBondContact O-N 2.98Å
373	S	90.9	Very high	94.2	Very high	63 Å²	63	61.3 Å²	61.3	44%	0.441	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-70.4	-17.5	-178.8	59.2	0	0	0	0	114.1	L364 P370 S371	L364-S373 WeakPolarHBondContact CD1-OG 3.32Å; L364-S373 WeakPolarHBondContact CD2-OG 3.36Å; P370-S373 VanDerWaalsContact O-CB 3.31Å; P370-S373 WeakPolarHBondContact O-CB 3.35Å; P370-S373 PolarHBondContact O-N 3.11Å; P370-S373 VanDerWaalsContact O-N 3.16Å; P370-S373 PolarHBondContact O-OG 3.5Å; S371-S373 PolarHBondContact O-N 3.14Å
374	I	94.9	Very high	94.2	Very high	13 Å²	13	66.1 Å²	66.1	7%	0.067	36%	0.364	C	S	.	.	S	Bend	trans	-127.1	126.4	173.1	-57.9	178.4	0	0	0	107	A302 V305 M306 V360 L364 E372 D378 I379	A302-I374 HydrophobicContact CB-CD1 3.87Å; A302-I374 HydrophobicContact CB-CG1 3.99Å; V305-I374 HydrophobicContact CB-CD1 4.02Å; V305-I374 HydrophobicContact CG1-CD1 3.96Å; M306-I374 HydrophobicContact CG-CD1 4.22Å; M306-I374 HydrophobicContact CG-CG2 4.19Å; M306-I374 HydrophobicContact SD-CG2 3.8Å; V360-I374 HydrophobicContact CG1-CB 4.37Å; V360-I374 HydrophobicContact CG1-CD1 3.97Å; L364-I374 HydrophobicContact CD1-CD1 4.36Å; L364-I374 HydrophobicContact CD1-CG1 4.37Å; L364-I374 HydrophobicContact CD2-CD1 4.4Å; E372-I374 PolarHBondContact O-N 2.98Å; I374-D378 HydrophobicContact CG2-CB 4.14Å; I374-I379 HydrophobicContact CG2-CD1 4.28Å; I374-I379 HydrophobicContact CG2-CG1 3.84Å
375	S	95.3	Very high	94.3	Very high	47 Å²	47	66.9 Å²	66.9	33%	0.329	37%	0.368	S	S	.	.			trans	-76.7	153.3	-175.3	79.7	0	0	0	0	112	Q377 D378 I379	S375-Q377 PolarHBondContact O-N 3.33Å; S375-Q377 PolarHBondContact OG-N 3.29Å; S375-D378 WeakPolarHBondContact CB-OD2 3.29Å; S375-D378 PolarHBondContact N-OD2 3.29Å; S375-D378 PolarHBondContact O-N 2.74Å; S375-D378 VanDerWaalsContact O-N 3.13Å; S375-D378 PolarHBondContact OG-N 3.17Å; S375-D378 VanDerWaalsContact OG-N 3.08Å; S375-D378 PolarHBondContact OG-OD2 2.95Å; S375-I379 WeakPolarHBondContact O-CG1 3.23Å; S375-I379 PolarHBondContact O-N 3.49Å; S375-I379 VanDerWaalsContact O-N 3.12Å
376	E	94.8	Very high	94.4	Very high	119 Å²	119	60.9 Å²	60.9	56%	0.556	34%	0.34	S	S	*	.	H	α-helix	trans	-61.3	-28.7	174.2	-162.7	-167.2	151.7	0	0	111.9	K380	E376-K380 HydrophobicContact CG-CD 4.48Å; E376-K380 WeakPolarHBondContact O-CB 3.49Å; E376-K380 WeakPolarHBondContact O-CG 3.43Å; E376-K380 PolarHBondContact O-N 3.17Å; E376-K380 WeakPolarHBondContact OE1-CE 3.44Å; E376-K380 IonicContact OE1-NZ 2.83Å; E376-K380 PolarHBondContact OE1-NZ 3.41Å
377	Q	94	Very high	94.5	Very high	158 Å²	158	58.2 Å²	58.2	74%	0.738	32%	0.323	S	S	*	.	H	α-helix	trans	-67.4	-43.1	175.6	-67.6	-178.2	-8.4	0	0	111.1	S375 I379 K380 L381	S375-Q377 PolarHBondContact O-N 3.33Å; S375-Q377 PolarHBondContact OG-N 3.29Å; Q377-I379 VanDerWaalsContact C-N 3.34Å; Q377-I379 PolarHBondContact O-N 2.95Å; Q377-K380 PolarHBondContact O-N 2.87Å; Q377-L381 WeakPolarHBondContact O-CB 3.36Å; Q377-L381 PolarHBondContact O-N 3.42Å
378	D	95	Very high	94.6	Very high	75 Å²	75	58.1 Å²	58.1	40%	0.401	32%	0.321	S	S	.	.	H	α-helix	trans	-62.8	-42.1	176.1	-60.3	-40.6	0	0	0	111.2	M306 I374 S375 L381 F382	M306-D378 HydrophobicContact SD-CB 4.39Å; I374-D378 HydrophobicContact CG2-CB 4.14Å; S375-D378 WeakPolarHBondContact CB-OD2 3.29Å; S375-D378 PolarHBondContact N-OD2 3.29Å; S375-D378 PolarHBondContact O-N 2.74Å; S375-D378 VanDerWaalsContact O-N 3.13Å; S375-D378 PolarHBondContact OG-N 3.17Å; S375-D378 VanDerWaalsContact OG-N 3.08Å; S375-D378 PolarHBondContact OG-OD2 2.95Å; D378-L381 PolarHBondContact O-N 2.79Å; D378-F382 VanDerWaalsContact O-CB 3.27Å; D378-F382 WeakPolarHBondContact O-CB 3.36Å; D378-F382 PolarHBondContact O-N 3.05Å
379	I	97.5	Very high	94.9	Very high	5 Å²	5	54.8 Å²	54.8	3%	0.026	29%	0.286	C	S	.	.	H	α-helix	trans	-64.3	-44.3	178.2	-61.9	169.1	0	0	0	110.5	M306 V356 V360 I374 S375 Q377 L381 F382 C383	M306-I379 HydrophobicContact SD-CG1 4.3Å; V356-I379 HydrophobicContact CB-CG2 4.4Å; V356-I379 HydrophobicContact CG1-CG2 4Å; V360-I379 HydrophobicContact CB-CD1 4.18Å; V360-I379 HydrophobicContact CG1-CD1 4.11Å; V360-I379 HydrophobicContact CG2-CD1 4.23Å; V360-I379 HydrophobicContact CG2-CG1 4.42Å; I374-I379 HydrophobicContact CG2-CD1 4.28Å; I374-I379 HydrophobicContact CG2-CG1 3.84Å; S375-I379 WeakPolarHBondContact O-CG1 3.23Å; S375-I379 PolarHBondContact O-N 3.49Å; S375-I379 VanDerWaalsContact O-N 3.12Å; Q377-I379 VanDerWaalsContact C-N 3.34Å; Q377-I379 PolarHBondContact O-N 2.95Å; I379-L381 VanDerWaalsContact C-N 3.35Å; I379-L381 PolarHBondContact O-N 2.75Å; I379-F382 WeakPolarHBondContact O-CB 3.33Å; I379-F382 PolarHBondContact O-N 3.2Å; I379-C383 PolarHBondContact O-N 3.26Å; I379-C383 PolarHBondContact O-SG 3.32Å; I379-C383 VanDerWaalsContact O-SG 3.33Å
380	K	96.9	Very high	95.1	Very high	91 Å²	91	56.1 Å²	56.1	40%	0.396	29%	0.29	S	S	.	.	H	α-helix	trans	-60.7	-44.1	175.2	-79.1	167.9	170.3	162.7	0	111.7	A353 E376 Q377 F382 C383 K384	A353-K380 HydrophobicContact CB-CG 4.18Å; E376-K380 HydrophobicContact CG-CD 4.48Å; E376-K380 WeakPolarHBondContact O-CB 3.49Å; E376-K380 WeakPolarHBondContact O-CG 3.43Å; E376-K380 PolarHBondContact O-N 3.17Å; E376-K380 WeakPolarHBondContact OE1-CE 3.44Å; E376-K380 IonicContact OE1-NZ 2.83Å; E376-K380 PolarHBondContact OE1-NZ 3.41Å; Q377-K380 PolarHBondContact O-N 2.87Å; K380-F382 VanDerWaalsContact C-N 3.33Å; K380-C383 PolarHBondContact O-N 2.67Å; K380-K384 WeakPolarHBondContact O-CB 3.26Å; K380-K384 PolarHBondContact O-N 2.89Å
381	L	95.7	Very high	95.3	Very high	45 Å²	45	54 Å²	54	24%	0.236	28%	0.275	C	S	.	.	H	α-helix	trans	-63.2	-41.4	176.8	-176.2	63.5	0	0	0	111.5	I171 E172 Q377 D378 I379 K384 N385	I171-L381 HydrophobicContact CG2-CG 4.46Å; E172-L381 HydrophobicContact CG-CD1 3.98Å; E172-L381 HydrophobicContact CG-CD2 4.25Å; E172-L381 HydrophobicContact CG-CG 4.25Å; E172-L381 WeakPolarHBondContact OE1-CD1 3.37Å; Q377-L381 WeakPolarHBondContact O-CB 3.36Å; Q377-L381 PolarHBondContact O-N 3.42Å; D378-L381 PolarHBondContact O-N 2.79Å; I379-L381 VanDerWaalsContact C-N 3.35Å; I379-L381 PolarHBondContact O-N 2.75Å; L381-K384 PolarHBondContact O-N 3.27Å; L381-N385 PolarHBondContact O-N 2.96Å; L381-N385 VanDerWaalsContact O-N 3.15Å; L381-N385 PolarHBondContact O-ND2 2.87Å
382	F	97.7	Very high	95.8	Very high	1 Å²	1	52.4 Å²	52.4	0%	0.004	26%	0.264	C	S	.	.	H	α-helix	trans	-63.1	-47.5	177.1	-164.4	-82.7	0	0	0	111.6	I171 F303 M306 T307 V310 D378 I379 K380 K384 N385 A386 L389	I171-F382 HydrophobicContact CD1-CD2 3.77Å; I171-F382 HydrophobicContact CD1-CE2 4.33Å; I171-F382 HydrophobicContact CG1-CD2 3.85Å; I171-F382 HydrophobicContact CG1-CE2 4.1Å; I171-F382 HydrophobicContact CG2-CD2 4.24Å; F303-F382 AromaticContact CD2-CE2 3.88Å; F303-F382 HydrophobicContact CD2-CE2 3.88Å; F303-F382 HydrophobicContact CE2-CE2 4.05Å; M306-F382 HydrophobicContact CB-CD1 3.9Å; M306-F382 HydrophobicContact CB-CD2 3.67Å; M306-F382 HydrophobicContact CB-CE1 3.91Å; M306-F382 HydrophobicContact CB-CE2 3.69Å; M306-F382 HydrophobicContact CB-CG 3.79Å; M306-F382 HydrophobicContact CB-CZ 3.81Å; M306-F382 HydrophobicContact CE-CD2 3.64Å; M306-F382 HydrophobicContact CE-CE2 4.22Å; M306-F382 HydrophobicContact CE-CG 4.35Å; M306-F382 HydrophobicContact CG-CD2 4.38Å; M306-F382 HydrophobicContact CG-CG 4.44Å; M306-F382 HydrophobicContact SD-CB 3.82Å; M306-F382 HydrophobicContact SD-CD2 3.83Å; M306-F382 HydrophobicContact SD-CG 3.93Å; T307-F382 WeakPolarHBondContact OG1-CZ 3.38Å; V310-F382 HydrophobicContact CB-CE1 4.27Å; V310-F382 HydrophobicContact CG2-CD1 3.68Å; V310-F382 HydrophobicContact CG2-CE1 3.59Å; D378-F382 VanDerWaalsContact O-CB 3.27Å; D378-F382 WeakPolarHBondContact O-CB 3.36Å; D378-F382 PolarHBondContact O-N 3.05Å; I379-F382 WeakPolarHBondContact O-CB 3.33Å; I379-F382 PolarHBondContact O-N 3.2Å; K380-F382 VanDerWaalsContact C-N 3.33Å; F382-K384 PolarHBondContact O-N 2.86Å; F382-N385 CarbonylContact O-C 3.57Å; F382-N385 PolarHBondContact O-N 3.07Å; F382-N385 VanDerWaalsContact O-N 3.15Å; F382-A386 WeakPolarHBondContact O-CA 3.25Å; F382-A386 PolarHBondContact O-N 3.02Å; F382-L389 HydrophobicContact CD2-CD2 4.28Å; F382-L389 HydrophobicContact CE1-CD1 3.73Å; F382-L389 HydrophobicContact CE1-CD2 4.3Å; F382-L389 HydrophobicContact CE2-CD1 4.24Å; F382-L389 HydrophobicContact CE2-CD2 3.84Å; F382-L389 HydrophobicContact CZ-CD1 3.43Å; F382-L389 VanDerWaalsContact CZ-CD1 3.43Å; F382-L389 HydrophobicContact CZ-CD2 3.84Å; F382-L389 HydrophobicContact CZ-CG 4.29Å
383	C	97.9	Very high	96.1	Very high	6 Å²	6	50.6 Å²	50.6	4%	0.041	25%	0.25	C	S	.	.	H	α-helix	trans	-60.2	-44.4	176.6	-71.7	0	0	0	0	112.1	P323 A353 I379 K380 N385 A386	P323-C383 HydrophobicContact CB-CB 4.13Å; P323-C383 HydrophobicContact CG-CB 4.46Å; A353-C383 HydrophobicContact CB-CB 4.29Å; I379-C383 PolarHBondContact O-N 3.26Å; I379-C383 PolarHBondContact O-SG 3.32Å; I379-C383 VanDerWaalsContact O-SG 3.33Å; K380-C383 PolarHBondContact O-N 2.67Å; C383-N385 PolarHBondContact O-N 3.13Å; C383-A386 WeakPolarHBondContact O-CB 3.49Å; C383-A386 PolarHBondContact O-N 3.45Å
384	K	96.4	Very high	96.4	Very high	115 Å²	115	47.9 Å²	47.9	50%	0.5	23%	0.232	S	C	.	.	H	α-helix	trans	-58.2	-34.9	176.7	-174.6	-177	176.9	-171.3	0	112.1	R325 K380 L381 F382	R325-K384 HydrophobicContact CG-CG 4.3Å; K380-K384 WeakPolarHBondContact O-CB 3.26Å; K380-K384 PolarHBondContact O-N 2.89Å; L381-K384 PolarHBondContact O-N 3.27Å; F382-K384 PolarHBondContact O-N 2.86Å
385	N	96.9	Very high	96.5	Very high	18 Å²	18	50.2 Å²	50.2	10%	0.096	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	11.6	-177.6	-66.9	-72.2	0	0	0	114.1	I171 L381 F382 C383 A387 F388 L389	I171-N385 HydrophobicContact CG2-CB 3.96Å; I171-N385 VanDerWaalsContact O-CB 3.28Å; I171-N385 WeakPolarHBondContact O-CB 3.34Å; L381-N385 PolarHBondContact O-N 2.96Å; L381-N385 VanDerWaalsContact O-N 3.15Å; L381-N385 PolarHBondContact O-ND2 2.87Å; F382-N385 CarbonylContact O-C 3.57Å; F382-N385 PolarHBondContact O-N 3.07Å; F382-N385 VanDerWaalsContact O-N 3.15Å; C383-N385 PolarHBondContact O-N 3.13Å; N385-A387 PolarHBondContact O-N 3.03Å; N385-F388 CarbonylContact O-C 3.51Å; N385-F388 WeakPolarHBondContact O-CA 3.38Å; N385-F388 PolarHBondContact O-N 2.79Å; N385-L389 PolarHBondContact O-N 2.94Å
386	A	97.4	Very high	96.6	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.008	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-30.4	-173.5	0	0	0	0	0	113.2	V284 V310 L322 F382 C383 F388	V284-A386 WeakPolarHBondContact CG2-O 3.17Å; V310-A386 HydrophobicContact CG1-CB 4.33Å; L322-A386 HydrophobicContact CD2-CB 4.33Å; F382-A386 WeakPolarHBondContact O-CA 3.25Å; F382-A386 PolarHBondContact O-N 3.02Å; C383-A386 WeakPolarHBondContact O-CB 3.49Å; C383-A386 PolarHBondContact O-N 3.45Å; A386-F388 VanDerWaalsContact C-N 3.27Å; A386-F388 PolarHBondContact O-N 3.26Å
387	A	96.2	Very high	96.7	Very high	32 Å²	32	43.1 Å²	43.1	26%	0.264	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-13.8	176.3	0	0	0	0	0	114.1	L322 N385	L322-A387 HydrophobicContact CD1-CB 3.9Å; N385-A387 PolarHBondContact O-N 3.03Å
388	F	96.2	Very high	96.8	Very high	26 Å²	26	38.7 Å²	38.7	11%	0.114	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.4	5.3	-168.7	-51.9	-48	0	0	0	113.7	S173 P175 A178 R325 N385 A386 R390	S173-F388 WeakPolarHBondContact CB-O 3.37Å; S173-F388 PolarHBondContact OG-O 3.39Å; P175-F388 HydrophobicContact CG-CD1 3.85Å; P175-F388 HydrophobicContact CG-CD2 4.19Å; P175-F388 HydrophobicContact CG-CE1 3.91Å; P175-F388 HydrophobicContact CG-CE2 4.24Å; P175-F388 HydrophobicContact CG-CG 3.99Å; P175-F388 HydrophobicContact CG-CZ 4.08Å; A178-F388 HydrophobicContact CB-CE1 3.63Å; A178-F388 HydrophobicContact CB-CZ 3.46Å; A178-F388 VanDerWaalsContact CB-CZ 3.46Å; R325-F388 VanDerWaalsContact CZ-CZ 3.41Å; N385-F388 CarbonylContact O-C 3.51Å; N385-F388 WeakPolarHBondContact O-CA 3.38Å; N385-F388 PolarHBondContact O-N 2.79Å; A386-F388 VanDerWaalsContact C-N 3.27Å; A386-F388 PolarHBondContact O-N 3.26Å; F388-R390 PolarHBondContact O-N 2.97Å; F388-R390 PolarHBondContact O-NH1 2.82Å
389	L	97.1	Very high	96.8	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	19%	0.19	C	C	.	.			trans	-53.2	140	176.7	-55.8	176.9	0	0	0	110.8	I171 V284 I287 F303 F382 N385	I171-L389 HydrophobicContact CB-CD2 4.5Å; I171-L389 HydrophobicContact CG1-CD2 4.46Å; I171-L389 HydrophobicContact CG2-CD2 4.3Å; V284-L389 HydrophobicContact CG2-CB 4.46Å; I287-L389 HydrophobicContact CD1-CB 3.86Å; F303-L389 HydrophobicContact CE2-CD2 4.22Å; F303-L389 HydrophobicContact CZ-CB 4.48Å; F382-L389 HydrophobicContact CD2-CD2 4.28Å; F382-L389 HydrophobicContact CE1-CD1 3.73Å; F382-L389 HydrophobicContact CE1-CD2 4.3Å; F382-L389 HydrophobicContact CE2-CD1 4.24Å; F382-L389 HydrophobicContact CE2-CD2 3.84Å; F382-L389 HydrophobicContact CZ-CD1 3.43Å; F382-L389 VanDerWaalsContact CZ-CD1 3.43Å; F382-L389 HydrophobicContact CZ-CD2 3.84Å; F382-L389 HydrophobicContact CZ-CG 4.29Å; N385-L389 PolarHBondContact O-N 2.94Å
390	R	97.4	Very high	96.8	Very high	88 Å²	88	38.5 Å²	38.5	33%	0.332	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	144.9	175.6	-64.2	-68.1	-177	-86.8	-2	110	V170 F388 V513	V170-R390 HydrophobicContact CB-CB 4.23Å; V170-R390 PolarHBondContact N-O 3Å; V170-R390 PolarHBondContact O-N 2.87Å; F388-R390 PolarHBondContact O-N 2.97Å; F388-R390 PolarHBondContact O-NH1 2.82Å; R390-V513 HydrophobicContact CB-CG2 4.26Å; R390-V513 HydrophobicContact CG-CG2 3.78Å
391	V	97	Very high	96.6	Very high	36 Å²	36	35.5 Å²	35.5	22%	0.218	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	121.9	171.2	-179.5	0	0	0	0	107.2	E167 H168 T169 I287 F303 W304 R393	E167-V391 HydrophobicContact CG-CG1 3.82Å; H168-V391 WeakPolarHBondContact O-CA 3.48Å; T169-V391 HydrophobicContact CG2-CG1 4.47Å; T169-V391 HydrophobicContact CG2-CG2 4.26Å; I287-V391 HydrophobicContact CD1-CG2 3.91Å; I287-V391 HydrophobicContact CG1-CB 4.48Å; I287-V391 HydrophobicContact CG1-CG2 3.88Å; I287-V391 HydrophobicContact CG2-CG2 4.46Å; F303-V391 HydrophobicContact CE1-CG2 3.71Å; F303-V391 HydrophobicContact CZ-CG2 3.76Å; W304-V391 HydrophobicContact CH2-CG2 4.11Å; W304-V391 HydrophobicContact CZ2-CG1 4.37Å; W304-V391 HydrophobicContact CZ2-CG2 4.13Å; V391-R393 HydrophobicContact CG1-CG 4.14Å
392	V	96.8	Very high	96.6	Very high	10 Å²	10	35.4 Å²	35.4	6%	0.061	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	124.8	175.4	-178.5	0	0	0	0	108.1	E167 H168 V513 P514 N516	E167-V392 CarbonylContact C-O 3.11Å; E167-V392 WeakPolarHBondContact CA-O 3.36Å; H168-V392 HydrophobicContact CB-CB 4.43Å; H168-V392 PolarHBondContact N-O 2.71Å; H168-V392 PolarHBondContact O-N 2.87Å; V392-V513 HydrophobicContact CG2-CG1 3.95Å; V392-P514 HydrophobicContact CB-CG 4.42Å; V392-P514 HydrophobicContact CG2-CG 4.11Å; V392-N516 HydrophobicContact CG1-CB 4.21Å
393	R	96.4	Very high	96.3	Very high	112 Å²	112	38.1 Å²	38.1	42%	0.423	20%	0.195	S	C	.	.			trans	-123	115.1	174.8	-63.1	-178.3	-179.7	141.7	2.8	107.9	K166 E167 V391 N516	K166-R393 WeakPolarHBondContact O-CB 3.37Å; K166-R393 WeakPolarHBondContact O-CG 3.3Å; E167-R393 HydrophobicContact CB-CG 4.44Å; E167-R393 HydrophobicContact CG-CG 4.4Å; E167-R393 IonicContact OE2-CZ 2.73Å; E167-R393 IonicContact OE2-NE 3.64Å; E167-R393 PolarHBondContact OE2-NE 3.18Å; E167-R393 IonicContact OE2-NH2 3.8Å; E167-R393 PolarHBondContact OE2-NH2 2.92Å; V391-R393 HydrophobicContact CG1-CG 4.14Å; R393-N516 PolarHBondContact O-OD1 3.21Å
394	C	97.3	Very high	96.1	Very high	7 Å²	7	46.4 Å²	46.4	5%	0.047	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-96	153.5	175.7	-60.6	0	0	0	0	109.6	W143 L163 V165 N516	W143-C394 WeakPolarHBondContact CH2-O 2.94Å; L163-C394 VanDerWaalsContact O-CB 3.31Å; L163-C394 WeakPolarHBondContact O-CB 3.09Å; L163-C394 PolarHBondContact O-SG 3.43Å; V165-C394 HydrophobicContact CG1-CB 4.34Å; V165-C394 WeakPolarHBondContact O-CA 3.37Å; V165-C394 WeakPolarHBondContact O-CB 3.4Å; V165-C394 PolarHBondContact O-N 3.38Å; C394-N516 PolarHBondContact SG-OD1 3.26Å; C394-N516 VanDerWaalsContact SG-OD1 3.33Å
395	R	96.5	Very high	96.1	Very high	61 Å²	61	44 Å²	44	23%	0.23	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-74.7	151.9	169.5	-66.3	176.2	60.4	-150.1	0.3	110	R162 E399 T405 L533	R162-R395 PolarHBondContact NH2-O 2.82Å; R395-E399 PolarHBondContact NH2-O 2.84Å; R395-T405 PolarHBondContact NH2-O 3.3Å; R395-L533 WeakPolarHBondContact CD-O 3.4Å; R395-L533 PolarHBondContact NH1-O 2.82Å; R395-L533 PolarHBondContact NH1-OXT 3.1Å
396	S	97.3	Very high	96	Very high	12 Å²	12	43.6 Å²	43.6	8%	0.084	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-68.4	156.5	172.4	67.8	0	0	0	0	110.8	A398 E399 E400	S396-A398 PolarHBondContact O-N 3.44Å; S396-E399 WeakPolarHBondContact CB-OE2 3.48Å; S396-E399 PolarHBondContact N-OE2 3.01Å; S396-E399 PolarHBondContact O-N 3.25Å; S396-E399 VanDerWaalsContact OG-CD 3.27Å; S396-E399 WeakPolarHBondContact OG-CG 3.16Å; S396-E399 PolarHBondContact OG-N 3.3Å; S396-E399 PolarHBondContact OG-OE2 3.09Å; S396-E400 PolarHBondContact O-N 2.99Å
397	L	96.7	Very high	95.9	Very high	6 Å²	6	45.9 Å²	45.9	3%	0.031	24%	0.239	C	C	.	.	H	α-helix	trans	-62.1	-33.1	173.4	-62.6	177.9	0	0	0	111.7	L136 F149 V151 R162 V164 E399 E400 Y401	L136-L397 HydrophobicContact CD2-CB 3.88Å; F149-L397 HydrophobicContact CD1-CD1 4.17Å; F149-L397 HydrophobicContact CE1-CD1 3.93Å; V151-L397 HydrophobicContact CG2-CD1 4.31Å; R162-L397 HydrophobicContact CG-CD2 3.72Å; V164-L397 HydrophobicContact CG1-CG 4.46Å; V164-L397 HydrophobicContact CG2-CD1 4.16Å; V164-L397 HydrophobicContact CG2-CD2 3.59Å; V164-L397 HydrophobicContact CG2-CG 3.67Å; L397-E399 VanDerWaalsContact C-N 3.34Å; L397-E399 PolarHBondContact O-N 2.64Å; L397-E400 PolarHBondContact O-N 3.37Å; L397-Y401 HydrophobicContact CD2-CE2 4.47Å; L397-Y401 WeakPolarHBondContact O-CB 3.45Å; L397-Y401 WeakPolarHBondContact O-CD2 3.14Å; L397-Y401 PolarHBondContact O-N 2.98Å
398	A	95.9	Very high	95.8	Very high	64 Å²	64	47.5 Å²	47.5	53%	0.529	24%	0.24	S	C	.	.	H	α-helix	trans	-62.1	-41.9	178	0	0	0	0	0	111.9	S396 Y401 S402	S396-A398 PolarHBondContact O-N 3.44Å; A398-Y401 PolarHBondContact O-N 3.09Å; A398-S402 VanDerWaalsContact O-CB 3.24Å; A398-S402 WeakPolarHBondContact O-CB 3.35Å; A398-S402 PolarHBondContact O-N 3.14Å
399	E	96.3	Very high	95.6	Very high	76 Å²	76	52.7 Å²	52.7	36%	0.355	27%	0.269	S	S	.	.	H	α-helix	trans	-67.5	-35.4	177.9	-70.6	163.6	136.7	0	0	112.5	R395 S396 L397 T405 V406	R395-E399 PolarHBondContact NH2-O 2.84Å; S396-E399 WeakPolarHBondContact CB-OE2 3.48Å; S396-E399 PolarHBondContact N-OE2 3.01Å; S396-E399 PolarHBondContact O-N 3.25Å; S396-E399 VanDerWaalsContact OG-CD 3.27Å; S396-E399 WeakPolarHBondContact OG-CG 3.16Å; S396-E399 PolarHBondContact OG-N 3.3Å; S396-E399 PolarHBondContact OG-OE2 3.09Å; L397-E399 VanDerWaalsContact C-N 3.34Å; L397-E399 PolarHBondContact O-N 2.64Å; E399-T405 VanDerWaalsContact C-OG1 3.31Å; E399-T405 VanDerWaalsContact CA-OG1 3.28Å; E399-T405 WeakPolarHBondContact CA-OG1 3.44Å; E399-T405 CarbonylContact O-C 3.36Å; E399-T405 WeakPolarHBondContact O-CB 3.22Å; E399-T405 PolarHBondContact O-OG1 3.48Å; E399-V406 PolarHBondContact O-N 3.1Å
400	E	96	Very high	95.4	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-72.4	-34.2	178.6	174.8	-178.5	147.3	0	0	112.8	R162 S396 L397 Y425 L533	R162-E400 IonicContact CZ-OE2 3.83Å; R162-E400 VanDerWaalsContact CZ-OE2 3.22Å; R162-E400 IonicContact NE-OE1 2.73Å; R162-E400 IonicContact NE-OE2 3.67Å; R162-E400 PolarHBondContact NE-OE2 2.88Å; R162-E400 IonicContact NH2-OE2 3.65Å; R162-E400 PolarHBondContact NH2-OE2 3.4Å; S396-E400 PolarHBondContact O-N 2.99Å; L397-E400 PolarHBondContact O-N 3.37Å; E400-Y425 PolarHBondContact OE1-OH 2.76Å; E400-L533 HydrophobicContact CG-CB 4.06Å
401	Y	94.1	Very high	95.2	Very high	29 Å²	29	49.7 Å²	49.7	11%	0.114	26%	0.263	C	S	.	.	H	α-helix	trans	-91.2	-20.2	-174.8	-75.5	-125.3	0	0	0	112.3	E132 L136 L397 A398 R429 Y467	E132-Y401 HydrophobicContact CG-CD1 3.87Å; E132-Y401 HydrophobicContact CG-CE1 3.54Å; E132-Y401 WeakPolarHBondContact OE2-CD1 3.43Å; E132-Y401 WeakPolarHBondContact OE2-CE1 3.41Å; L136-Y401 HydrophobicContact CD1-CD1 3.91Å; L136-Y401 HydrophobicContact CD1-CG 4.4Å; L136-Y401 HydrophobicContact CD2-CD1 3.98Å; L136-Y401 HydrophobicContact CD2-CD2 4.18Å; L136-Y401 HydrophobicContact CD2-CG 3.8Å; L136-Y401 HydrophobicContact CG-CD1 4.2Å; L397-Y401 HydrophobicContact CD2-CE2 4.47Å; L397-Y401 WeakPolarHBondContact O-CB 3.45Å; L397-Y401 WeakPolarHBondContact O-CD2 3.14Å; L397-Y401 PolarHBondContact O-N 2.98Å; A398-Y401 PolarHBondContact O-N 3.09Å; Y401-R429 VanDerWaalsContact CE1-CZ 3.42Å; Y401-R429 VanDerWaalsContact CE1-NE 3.35Å; Y401-Y467 PolarHBondContact O-OH 3.5Å
402	S	94.4	Very high	95	Very high	43 Å²	43	50.4 Å²	50.4	30%	0.301	27%	0.267	S	S	.	.	S	Bend	trans	-70.6	135	177.1	169.9	0	0	0	0	112.3	A398 E404 T405 V406	A398-S402 VanDerWaalsContact O-CB 3.24Å; A398-S402 WeakPolarHBondContact O-CB 3.35Å; A398-S402 PolarHBondContact O-N 3.14Å; S402-E404 PolarHBondContact O-N 2.86Å; S402-E404 PolarHBondContact OG-N 2.81Å; S402-T405 WeakPolarHBondContact CB-OG1 3.48Å; S402-T405 PolarHBondContact O-N 2.79Å; S402-V406 WeakPolarHBondContact O-CB 3.32Å; S402-V406 PolarHBondContact O-N 3.49Å
403	V	93.1	Very high	94.8	Very high	57 Å²	57	53.6 Å²	53.6	35%	0.345	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-28.9	177.1	-178.4	0	0	0	0	112.5	E466 Y467	V403-E466 WeakPolarHBondContact CG1-O 3.17Å; V403-E466 HydrophobicContact CG2-CG 3.85Å; V403-Y467 HydrophobicContact CB-CD1 4.38Å; V403-Y467 HydrophobicContact CB-CE1 4.47Å; V403-Y467 HydrophobicContact CG1-CD1 4.49Å; V403-Y467 HydrophobicContact CG2-CD1 3.99Å; V403-Y467 HydrophobicContact CG2-CE1 3.84Å
404	E	93.4	Very high	94.6	Very high	181 Å²	181	50.4 Å²	50.4	85%	0.846	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-33.2	-176.3	-62.5	-177.5	174.9	0	0	112.5	S402	S402-E404 PolarHBondContact O-N 2.86Å; S402-E404 PolarHBondContact OG-N 2.81Å
405	T	95.6	Very high	94.3	Very high	63 Å²	63	50.9 Å²	50.9	39%	0.387	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.5	-10.6	-170.3	50.5	0	0	0	0	113.7	R395 E399 S402 N407	R395-T405 PolarHBondContact NH2-O 3.3Å; E399-T405 VanDerWaalsContact C-OG1 3.31Å; E399-T405 VanDerWaalsContact CA-OG1 3.28Å; E399-T405 WeakPolarHBondContact CA-OG1 3.44Å; E399-T405 CarbonylContact O-C 3.36Å; E399-T405 WeakPolarHBondContact O-CB 3.22Å; E399-T405 PolarHBondContact O-OG1 3.48Å; S402-T405 WeakPolarHBondContact CB-OG1 3.48Å; S402-T405 PolarHBondContact O-N 2.79Å; T405-N407 PolarHBondContact O-N 2.93Å
406	V	95.1	Very high	93.7	Very high	10 Å²	10	54.6 Å²	54.6	6%	0.061	31%	0.311	C	S	.	.			trans	-48.2	135.8	177.6	61.3	0	0	0	0	111.8	E399 S402 K408 I411 Y467	E399-V406 PolarHBondContact O-N 3.1Å; S402-V406 WeakPolarHBondContact O-CB 3.32Å; S402-V406 PolarHBondContact O-N 3.49Å; V406-K408 VanDerWaalsContact C-N 3.28Å; V406-K408 HydrophobicContact CG1-CD 4.33Å; V406-K408 VanDerWaalsContact CG1-CE 3.5Å; V406-K408 HydrophobicContact CG1-CG 3.78Å; V406-K408 PolarHBondContact O-N 3.26Å; V406-I411 HydrophobicContact CG2-CD1 3.86Å; V406-Y467 HydrophobicContact CG1-CD1 4.17Å; V406-Y467 HydrophobicContact CG1-CG 4.29Å; V406-Y467 HydrophobicContact CG2-CD2 4.4Å; V406-Y467 HydrophobicContact CG2-CE2 4.49Å
407	N	95.1	Very high	93	Very high	50 Å²	50	57.5 Å²	57.5	27%	0.267	33%	0.331	S	S	.	.			trans	-78.3	76.9	-178.7	-168.2	-11.6	0	0	0	111.4	T405 D409 A410 I411 Q532 L533	T405-N407 PolarHBondContact O-N 2.93Å; N407-D409 VanDerWaalsContact C-N 3.3Å; N407-D409 PolarHBondContact O-N 3.16Å; N407-A410 HydrophobicContact CB-CB 4.25Å; N407-A410 VanDerWaalsContact CG-CB 3.41Å; N407-A410 WeakPolarHBondContact ND2-CB 3.29Å; N407-A410 PolarHBondContact O-N 2.88Å; N407-A410 WeakPolarHBondContact OD1-CB 3.44Å; N407-A410 PolarHBondContact OD1-N 2.71Å; N407-A410 VanDerWaalsContact OD1-N 3.12Å; N407-I411 WeakPolarHBondContact O-CG1 3.21Å; N407-I411 PolarHBondContact O-N 2.8Å; N407-Q532 PolarHBondContact ND2-O 3.36Å; N407-L533 WeakPolarHBondContact CB-OXT 3.21Å
408	K	94.2	Very high	92	Very high	66 Å²	66	59.2 Å²	59.2	29%	0.287	35%	0.346	S	S	.	.	H	α-helix	trans	-60.5	-40.3	-177.5	-56.2	-176.1	-171.1	-168.5	0	111.8	V406 A410 I411 T412 Y467 L469	V406-K408 VanDerWaalsContact C-N 3.28Å; V406-K408 HydrophobicContact CG1-CD 4.33Å; V406-K408 VanDerWaalsContact CG1-CE 3.5Å; V406-K408 HydrophobicContact CG1-CG 3.78Å; V406-K408 PolarHBondContact O-N 3.26Å; K408-A410 PolarHBondContact O-N 2.93Å; K408-I411 PolarHBondContact O-N 3.21Å; K408-T412 WeakPolarHBondContact O-CB 3.49Å; K408-T412 PolarHBondContact O-N 2.77Å; K408-T412 PolarHBondContact O-OG1 3.21Å; K408-T412 VanDerWaalsContact O-OG1 3.13Å; K408-Y467 WeakPolarHBondContact CD-O 3.37Å; K408-Y467 WeakPolarHBondContact CE-O 3.38Å; K408-Y467 PolarHBondContact NZ-O 3.06Å; K408-L469 HydrophobicContact CB-CD2 4.01Å; K408-L469 HydrophobicContact CG-CD2 4.13Å
409	D	92.1	Very high	91.4	Very high	134 Å²	134	60.6 Å²	60.6	72%	0.717	34%	0.344	S	S	*	.	H	α-helix	trans	-63.4	-44.3	-177.3	-64.6	-21.7	0	0	0	111.5	N407 S413	N407-D409 VanDerWaalsContact C-N 3.3Å; N407-D409 PolarHBondContact O-N 3.16Å; D409-S413 VanDerWaalsContact O-CB 3.24Å; D409-S413 WeakPolarHBondContact O-CB 3.46Å; D409-S413 PolarHBondContact O-N 3.28Å
410	A	92.3	Very high	91	Very high	26 Å²	26	57.5 Å²	57.5	22%	0.215	33%	0.333	C	S	.	.	H	α-helix	trans	-64.1	-44.5	175.5	0	0	0	0	0	111.9	N407 K408 C414	N407-A410 HydrophobicContact CB-CB 4.25Å; N407-A410 VanDerWaalsContact CG-CB 3.41Å; N407-A410 WeakPolarHBondContact ND2-CB 3.29Å; N407-A410 PolarHBondContact O-N 2.88Å; N407-A410 WeakPolarHBondContact OD1-CB 3.44Å; N407-A410 PolarHBondContact OD1-N 2.71Å; N407-A410 VanDerWaalsContact OD1-N 3.12Å; K408-A410 PolarHBondContact O-N 2.93Å; A410-C414 WeakPolarHBondContact O-CB 3.21Å; A410-C414 PolarHBondContact O-N 3.44Å; A410-C414 PolarHBondContact O-SG 3.45Å
411	I	94.1	Very high	91	Very high	1 Å²	1	59.1 Å²	59.1	1%	0.005	34%	0.341	C	S	.	.	H	α-helix	trans	-62.1	-50.1	178.6	-64.9	168.5	0	0	0	110.3	V406 N407 K408 C414 M415 M422 Y425 L426 L469 L533	V406-I411 HydrophobicContact CG2-CD1 3.86Å; N407-I411 WeakPolarHBondContact O-CG1 3.21Å; N407-I411 PolarHBondContact O-N 2.8Å; K408-I411 PolarHBondContact O-N 3.21Å; I411-C414 PolarHBondContact O-N 3.48Å; I411-M415 HydrophobicContact CG2-CG 4.34Å; I411-M415 WeakPolarHBondContact O-CB 3.47Å; I411-M415 WeakPolarHBondContact O-CG 3.35Å; I411-M415 PolarHBondContact O-N 3.21Å; I411-M422 HydrophobicContact CG1-SD 4.16Å; I411-M422 HydrophobicContact CG2-CG 4.29Å; I411-M422 HydrophobicContact CG2-SD 4.4Å; I411-Y425 HydrophobicContact CD1-CE1 4.37Å; I411-L426 HydrophobicContact CG2-CD1 4.22Å; I411-L426 HydrophobicContact CG2-CD2 4.14Å; I411-L426 HydrophobicContact CG2-CG 4.49Å; I411-L469 HydrophobicContact CB-CD2 4.35Å; I411-L469 HydrophobicContact CD1-CD1 4.46Å; I411-L469 HydrophobicContact CG2-CD1 4.03Å; I411-L469 HydrophobicContact CG2-CD2 4.17Å; I411-L533 HydrophobicContact CG1-CD2 3.91Å
412	T	92.8	Very high	91.1	Very high	50 Å²	50	57.8 Å²	57.8	31%	0.307	34%	0.336	S	S	.	.	H	α-helix	trans	-63.2	-45.5	-178.8	-63.1	0	0	0	0	111.5	K408 C414 M415 D416 V471	K408-T412 WeakPolarHBondContact O-CB 3.49Å; K408-T412 PolarHBondContact O-N 2.77Å; K408-T412 PolarHBondContact O-OG1 3.21Å; K408-T412 VanDerWaalsContact O-OG1 3.13Å; T412-C414 VanDerWaalsContact C-N 3.34Å; T412-C414 PolarHBondContact O-N 3.44Å; T412-M415 PolarHBondContact O-N 3.14Å; T412-M415 VanDerWaalsContact O-N 3.14Å; T412-D416 PolarHBondContact O-N 2.96Å; T412-V471 HydrophobicContact CG2-CG1 4.42Å
413	S	91.7	Very high	91.2	Very high	77 Å²	77	55.8 Å²	55.8	54%	0.538	32%	0.322	S	S	.	.	H	α-helix	trans	-62.9	-38.3	178.6	-178.9	0	0	0	0	112.6	D409 M415	D409-S413 VanDerWaalsContact O-CB 3.24Å; D409-S413 WeakPolarHBondContact O-CB 3.46Å; D409-S413 PolarHBondContact O-N 3.28Å; S413-M415 VanDerWaalsContact C-N 3.3Å; S413-M415 PolarHBondContact O-N 3.22Å
414	C	91.8	Very high	91.4	Very high	46 Å²	46	53.1 Å²	53.1	31%	0.311	31%	0.306	S	S	.	.	H	α-helix	trans	-74.9	-20	177.3	-67.4	0	0	0	0	113.4	A410 I411 T412 M422 F531	A410-C414 WeakPolarHBondContact O-CB 3.21Å; A410-C414 PolarHBondContact O-N 3.44Å; A410-C414 PolarHBondContact O-SG 3.45Å; I411-C414 PolarHBondContact O-N 3.48Å; T412-C414 VanDerWaalsContact C-N 3.34Å; T412-C414 PolarHBondContact O-N 3.44Å; C414-M422 HydrophobicContact CB-CB 3.81Å; C414-M422 HydrophobicContact CB-CE 3.69Å; C414-M422 HydrophobicContact CB-CG 3.95Å; C414-F531 HydrophobicContact CB-CE1 4.13Å
415	M	91.1	Very high	91.6	Very high	17 Å²	17	44.7 Å²	44.7	8%	0.084	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-2.9	178.5	-73.9	-64.3	-62.2	0	0	114	I411 T412 S413 S417 M422 V423 L426 V471 V473	I411-M415 HydrophobicContact CG2-CG 4.34Å; I411-M415 WeakPolarHBondContact O-CB 3.47Å; I411-M415 WeakPolarHBondContact O-CG 3.35Å; I411-M415 PolarHBondContact O-N 3.21Å; T412-M415 PolarHBondContact O-N 3.14Å; T412-M415 VanDerWaalsContact O-N 3.14Å; S413-M415 VanDerWaalsContact C-N 3.3Å; S413-M415 PolarHBondContact O-N 3.22Å; M415-S417 PolarHBondContact O-N 3.4Å; M415-M422 HydrophobicContact CG-CB 4.29Å; M415-M422 HydrophobicContact CG-CG 3.78Å; M415-M422 HydrophobicContact SD-CB 3.88Å; M415-M422 HydrophobicContact SD-CG 3.83Å; M415-V423 HydrophobicContact CE-CB 4.2Å; M415-V423 HydrophobicContact CE-CG2 4.2Å; M415-V423 HydrophobicContact SD-CB 4.1Å; M415-L426 HydrophobicContact CE-CD1 4.1Å; M415-L426 HydrophobicContact CG-CD1 4.14Å; M415-L426 HydrophobicContact SD-CD1 3.88Å; M415-V471 HydrophobicContact CB-CB 4.01Å; M415-V471 HydrophobicContact CB-CG1 3.63Å; M415-V471 HydrophobicContact CE-CB 4.31Å; M415-V471 HydrophobicContact CE-CG2 4.38Å; M415-V471 HydrophobicContact CG-CB 4.23Å; M415-V471 HydrophobicContact CG-CG1 4.03Å; M415-V471 HydrophobicContact CG-CG2 4.42Å; M415-V473 HydrophobicContact CE-CG2 4.4Å
416	D	83.7	Confident	91.7	Very high	139 Å²	139	41.8 Å²	41.8	74%	0.743	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-31.7	170.5	-75.1	-21.2	0	0	0	111.5	T412	T412-D416 PolarHBondContact O-N 2.96Å
417	S	82.6	Confident	91.9	Very high	72 Å²	72	41.3 Å²	41.3	50%	0.503	25%	0.245	S	C	.	.	S	Bend	trans	-86.8	107	165.6	-177	0	0	0	0	109.5	M415 D419 G420	M415-S417 PolarHBondContact O-N 3.4Å; S417-D419 PolarHBondContact O-N 3.02Å; S417-G420 PolarHBondContact O-N 3.19Å
418	A	76.3	Confident	92	Very high	43 Å²	43	39.2 Å²	39.2	36%	0.355	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-11.4	-177	0	0	0	0	0	114.6
419	D	82.9	Confident	92.2	Very high	92 Å²	92	36.5 Å²	36.5	49%	0.492	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.6	11.4	178.5	-61.8	-54.1	0	0	0	113.3	S417 K474 Y477	S417-D419 PolarHBondContact O-N 3.02Å; D419-K474 IonicContact OD1-NZ 3.68Å; D419-K474 PolarHBondContact OD1-NZ 3Å; D419-K474 IonicContact OD2-NZ 3.55Å; D419-K474 PolarHBondContact OD2-NZ 2.87Å; D419-Y477 WeakPolarHBondContact CA-OH 3.47Å; D419-Y477 PolarHBondContact OD1-OH 3.16Å
420	G	89.4	Confident	92.5	Very high	12 Å²	12	30.1 Å²	30.1	12%	0.124	19%	0.188	C	C	.	.	S	Bend	trans	-72.7	157.6	177.4	0	0	0	0	0	113.2	S417 M422 V423	S417-G420 PolarHBondContact O-N 3.19Å; G420-M422 PolarHBondContact O-N 3.46Å; G420-V423 WeakPolarHBondContact O-CG1 3.49Å; G420-V423 PolarHBondContact O-N 2.81Å; G420-V423 VanDerWaalsContact O-N 3.16Å
421	E	95.3	Very high	92.7	Very high	34 Å²	34	28.9 Å²	28.9	16%	0.159	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-16.3	-175.2	-66.4	70.8	-158.2	0	0	113.6	V423 L424 Y425 I520 N522 T527 A529 F531	E421-V423 PolarHBondContact O-N 2.84Å; E421-L424 WeakPolarHBondContact O-CB 3.46Å; E421-L424 PolarHBondContact O-N 2.85Å; E421-Y425 PolarHBondContact O-N 3.36Å; E421-I520 HydrophobicContact CB-CB 4.13Å; E421-I520 HydrophobicContact CB-CG2 3.91Å; E421-I520 HydrophobicContact CG-CG2 4.43Å; E421-N522 HydrophobicContact CG-CB 4.35Å; E421-T527 WeakPolarHBondContact OE1-CB 3.48Å; E421-T527 PolarHBondContact OE1-OG1 3.49Å; E421-A529 HydrophobicContact CB-CB 3.8Å; E421-A529 HydrophobicContact CG-CB 3.98Å; E421-F531 HydrophobicContact CB-CE2 4.11Å; E421-F531 HydrophobicContact CB-CZ 4.03Å
422	M	96.4	Very high	92.9	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-58.8	-32.2	174.8	-174.1	57.2	71	0	0	112.2	I411 C414 M415 G420 L424 Y425 L426 F531 L533	I411-M422 HydrophobicContact CG1-SD 4.16Å; I411-M422 HydrophobicContact CG2-CG 4.29Å; I411-M422 HydrophobicContact CG2-SD 4.4Å; C414-M422 HydrophobicContact CB-CB 3.81Å; C414-M422 HydrophobicContact CB-CE 3.69Å; C414-M422 HydrophobicContact CB-CG 3.95Å; M415-M422 HydrophobicContact CG-CB 4.29Å; M415-M422 HydrophobicContact CG-CG 3.78Å; M415-M422 HydrophobicContact SD-CB 3.88Å; M415-M422 HydrophobicContact SD-CG 3.83Å; G420-M422 PolarHBondContact O-N 3.46Å; M422-L424 PolarHBondContact O-N 3.01Å; M422-Y425 WeakPolarHBondContact O-CB 3.41Å; M422-Y425 PolarHBondContact O-N 3.37Å; M422-Y425 HydrophobicContact SD-CD1 3.91Å; M422-Y425 HydrophobicContact SD-CG 4.44Å; M422-L426 PolarHBondContact O-N 3.15Å; M422-L426 VanDerWaalsContact O-N 3.15Å; M422-F531 HydrophobicContact CB-CE1 4.42Å; M422-F531 HydrophobicContact CB-CZ 4.14Å; M422-F531 HydrophobicContact CE-CB 3.95Å; M422-F531 HydrophobicContact CE-CD1 3.29Å; M422-F531 HydrophobicContact CE-CD2 3.93Å; M422-F531 HydrophobicContact CE-CE1 3.63Å; M422-F531 HydrophobicContact CE-CE2 4.22Å; M422-F531 HydrophobicContact CE-CG 3.44Å; M422-F531 VanDerWaalsContact CE-CG 3.44Å; M422-F531 HydrophobicContact CE-CZ 4.08Å; M422-L533 HydrophobicContact CE-CD2 3.77Å; M422-L533 HydrophobicContact SD-CD2 4.1Å
423	V	96.6	Very high	93.1	Very high	2 Å²	2	28 Å²	28	1%	0.012	17%	0.169	C	C	.	.	H	α-helix	trans	-61.6	-35	176.4	74.8	0	0	0	0	111.4	M415 G420 E421 Y425 L426 M427 V473 Y477	M415-V423 HydrophobicContact CE-CB 4.2Å; M415-V423 HydrophobicContact CE-CG2 4.2Å; M415-V423 HydrophobicContact SD-CB 4.1Å; G420-V423 WeakPolarHBondContact O-CG1 3.49Å; G420-V423 PolarHBondContact O-N 2.81Å; G420-V423 VanDerWaalsContact O-N 3.16Å; E421-V423 PolarHBondContact O-N 2.84Å; V423-Y425 VanDerWaalsContact C-N 3.35Å; V423-L426 PolarHBondContact O-N 2.94Å; V423-M427 WeakPolarHBondContact O-CB 3.47Å; V423-M427 VanDerWaalsContact O-CG 3.28Å; V423-M427 WeakPolarHBondContact O-CG 3.43Å; V423-M427 PolarHBondContact O-N 3.18Å; V423-V473 HydrophobicContact CG2-CB 4.45Å; V423-V473 HydrophobicContact CG2-CG1 3.8Å; V423-V473 HydrophobicContact CG2-CG2 4.24Å; V423-Y477 HydrophobicContact CB-CE2 4.43Å; V423-Y477 HydrophobicContact CG1-CD1 4.03Å; V423-Y477 HydrophobicContact CG1-CD2 4.07Å; V423-Y477 HydrophobicContact CG1-CE1 3.68Å; V423-Y477 HydrophobicContact CG1-CE2 3.73Å; V423-Y477 HydrophobicContact CG1-CG 4.21Å; V423-Y477 HydrophobicContact CG2-CD2 3.73Å; V423-Y477 HydrophobicContact CG2-CE2 4.04Å; V423-Y477 HydrophobicContact CG2-CG 4.1Å
424	L	97.9	Very high	93.4	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-69	-36.2	179.7	-52.7	178.5	0	0	0	111.1	V158 E421 M422 M427 L428 Y477 F481 I520 N522 M524	V158-L424 HydrophobicContact CG1-CB 4.09Å; V158-L424 HydrophobicContact CG1-CD1 4.26Å; V158-L424 HydrophobicContact CG2-CB 4.48Å; V158-L424 HydrophobicContact CG2-CD1 4.15Å; V158-L424 HydrophobicContact CG2-CD2 4.13Å; V158-L424 HydrophobicContact CG2-CG 4.5Å; E421-L424 WeakPolarHBondContact O-CB 3.46Å; E421-L424 PolarHBondContact O-N 2.85Å; M422-L424 PolarHBondContact O-N 3.01Å; L424-M427 PolarHBondContact O-N 2.92Å; L424-L428 VanDerWaalsContact O-CG 3.29Å; L424-L428 WeakPolarHBondContact O-CG 3.33Å; L424-L428 PolarHBondContact O-N 3.4Å; L424-Y477 HydrophobicContact CD2-CD1 4.05Å; L424-Y477 HydrophobicContact CD2-CE1 4.02Å; L424-F481 HydrophobicContact CB-CZ 4.48Å; L424-F481 HydrophobicContact CD2-CE2 3.87Å; L424-F481 HydrophobicContact CD2-CZ 4.26Å; L424-I520 HydrophobicContact CB-CG2 4.03Å; L424-I520 HydrophobicContact CD1-CG2 3.89Å; L424-N522 HydrophobicContact CD1-CB 3.59Å; L424-M524 HydrophobicContact CD2-CE 4.34Å
425	Y	97.7	Very high	93.7	Very high	3 Å²	3	26 Å²	26	1%	0.012	14%	0.144	C	C	.	.	H	α-helix	trans	-61.1	-49.4	171.4	167.8	-101	0	0	0	111.3	Y160 E400 I411 E421 M422 V423 M427 L428 R429 L533	Y160-Y425 HydrophobicContact CE2-CD2 4.22Å; E400-Y425 PolarHBondContact OE1-OH 2.76Å; I411-Y425 HydrophobicContact CD1-CE1 4.37Å; E421-Y425 PolarHBondContact O-N 3.36Å; M422-Y425 WeakPolarHBondContact O-CB 3.41Å; M422-Y425 PolarHBondContact O-N 3.37Å; M422-Y425 HydrophobicContact SD-CD1 3.91Å; M422-Y425 HydrophobicContact SD-CG 4.44Å; V423-Y425 VanDerWaalsContact C-N 3.35Å; Y425-M427 VanDerWaalsContact C-N 3.28Å; Y425-M427 PolarHBondContact O-N 3.34Å; Y425-L428 PolarHBondContact O-N 2.9Å; Y425-R429 HydrophobicContact CD2-CG 4.39Å; Y425-R429 HydrophobicContact CE1-CG 4.07Å; Y425-R429 HydrophobicContact CE2-CG 3.88Å; Y425-R429 WeakPolarHBondContact O-CG 3.1Å; Y425-R429 PolarHBondContact O-N 3.04Å; Y425-R429 PolarHBondContact OH-NH1 2.93Å; Y425-L533 HydrophobicContact CD1-CD1 3.84Å; Y425-L533 HydrophobicContact CD2-CD1 3.56Å; Y425-L533 HydrophobicContact CE1-CD1 3.75Å; Y425-L533 HydrophobicContact CE2-CD1 3.48Å; Y425-L533 VanDerWaalsContact CE2-CD1 3.48Å; Y425-L533 HydrophobicContact CG-CD1 3.75Å
426	L	97.4	Very high	93.9	Very high	2 Å²	2	30 Å²	30	1%	0.01	16%	0.163	C	C	.	.	H	α-helix	trans	-61.1	-37.5	177.6	-68.2	176.1	0	0	0	112.3	I411 M415 M422 V423 R429 S430 L464 L469 V471 V473	I411-L426 HydrophobicContact CG2-CD1 4.22Å; I411-L426 HydrophobicContact CG2-CD2 4.14Å; I411-L426 HydrophobicContact CG2-CG 4.49Å; M415-L426 HydrophobicContact CE-CD1 4.1Å; M415-L426 HydrophobicContact CG-CD1 4.14Å; M415-L426 HydrophobicContact SD-CD1 3.88Å; M422-L426 PolarHBondContact O-N 3.15Å; M422-L426 VanDerWaalsContact O-N 3.15Å; V423-L426 PolarHBondContact O-N 2.94Å; L426-R429 PolarHBondContact O-N 3.27Å; L426-S430 WeakPolarHBondContact O-CB 3.4Å; L426-S430 PolarHBondContact O-N 3.02Å; L426-S430 PolarHBondContact O-OG 2.9Å; L426-L464 HydrophobicContact CD1-CD2 4.28Å; L426-L469 HydrophobicContact CD2-CD1 4.11Å; L426-V471 HydrophobicContact CD1-CG2 4.08Å; L426-V473 HydrophobicContact CD1-CG2 4.5Å
427	M	98.2	Very high	94.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-66.4	-42	175.2	-73.5	-54.5	-58.2	0	0	112.2	V423 L424 Y425 R429 S430 V431 L456 V460 V473 I478 F481	V423-M427 WeakPolarHBondContact O-CB 3.47Å; V423-M427 VanDerWaalsContact O-CG 3.28Å; V423-M427 WeakPolarHBondContact O-CG 3.43Å; V423-M427 PolarHBondContact O-N 3.18Å; L424-M427 PolarHBondContact O-N 2.92Å; Y425-M427 VanDerWaalsContact C-N 3.28Å; Y425-M427 PolarHBondContact O-N 3.34Å; M427-R429 PolarHBondContact O-N 2.54Å; M427-S430 CarbonylContact O-C 3.58Å; M427-S430 WeakPolarHBondContact O-CB 3.16Å; M427-S430 PolarHBondContact O-N 3.43Å; M427-S430 VanDerWaalsContact O-N 3.15Å; M427-V431 WeakPolarHBondContact O-CG2 3.21Å; M427-V431 PolarHBondContact O-N 3.05Å; M427-L456 HydrophobicContact CE-CD2 3.79Å; M427-L456 HydrophobicContact CE-CG 4.23Å; M427-V460 HydrophobicContact CE-CG2 4.25Å; M427-V460 HydrophobicContact SD-CG2 3.81Å; M427-V473 HydrophobicContact CG-CG1 4.46Å; M427-V473 HydrophobicContact SD-CG1 3.76Å; M427-I478 HydrophobicContact CE-CB 4.38Å; M427-I478 HydrophobicContact CE-CG1 4.01Å; M427-I478 HydrophobicContact SD-CG1 4.11Å; M427-F481 HydrophobicContact CB-CD1 3.89Å; M427-F481 HydrophobicContact CB-CD2 3.81Å; M427-F481 HydrophobicContact CB-CE1 3.54Å; M427-F481 HydrophobicContact CB-CE2 3.45Å; M427-F481 VanDerWaalsContact CB-CE2 3.45Å; M427-F481 HydrophobicContact CB-CG 4Å; M427-F481 HydrophobicContact CB-CZ 3.3Å; M427-F481 HydrophobicContact CE-CB 3.76Å; M427-F481 HydrophobicContact CE-CD1 4.4Å; M427-F481 HydrophobicContact CE-CD2 4.02Å; M427-F481 HydrophobicContact CE-CG 3.8Å; M427-F481 HydrophobicContact CG-CD2 4Å; M427-F481 HydrophobicContact CG-CE2 3.84Å; M427-F481 HydrophobicContact CG-CG 4.48Å; M427-F481 HydrophobicContact CG-CZ 4.2Å
428	L	98.2	Very high	95.1	Very high	6 Å²	6	28.4 Å²	28.4	3%	0.031	14%	0.142	C	C	.	.	H	α-helix	trans	-60.1	-45.2	174.1	-73	168.9	0	0	0	111.7	Y155 V158 Y160 L424 Y425 S430 V431 D432 F481	Y155-L428 HydrophobicContact CG-CD2 4.08Å; V158-L428 HydrophobicContact CG1-CD1 4.08Å; Y160-L428 HydrophobicContact CD2-CD1 4.01Å; Y160-L428 HydrophobicContact CG-CD1 4.1Å; L424-L428 VanDerWaalsContact O-CG 3.29Å; L424-L428 WeakPolarHBondContact O-CG 3.33Å; L424-L428 PolarHBondContact O-N 3.4Å; Y425-L428 PolarHBondContact O-N 2.9Å; L428-S430 VanDerWaalsContact C-N 3.28Å; L428-S430 PolarHBondContact O-N 3.49Å; L428-V431 WeakPolarHBondContact O-CB 3.28Å; L428-V431 PolarHBondContact O-N 3.08Å; L428-D432 PolarHBondContact O-N 3.33Å; L428-F481 HydrophobicContact CD2-CE1 4.04Å; L428-F481 HydrophobicContact CG-CE1 4.15Å
429	R	97.5	Very high	96	Very high	9 Å²	9	31.1 Å²	31.1	3%	0.034	16%	0.159	C	C	.	.	H	α-helix	trans	-60.8	-37.6	174.1	-64.5	-58.3	-57.2	-77.1	-6.9	112.1	E132 Y401 Y425 L426 M427 D432 R433 L463 Y467	E132-R429 IonicContact OE2-CZ 3.71Å; E132-R429 IonicContact OE2-NE 3.07Å; E132-R429 PolarHBondContact OE2-NE 3.39Å; E132-R429 IonicContact OE2-NH2 3.2Å; E132-R429 PolarHBondContact OE2-NH2 3.31Å; Y401-R429 VanDerWaalsContact CE1-CZ 3.42Å; Y401-R429 VanDerWaalsContact CE1-NE 3.35Å; Y425-R429 HydrophobicContact CD2-CG 4.39Å; Y425-R429 HydrophobicContact CE1-CG 4.07Å; Y425-R429 HydrophobicContact CE2-CG 3.88Å; Y425-R429 WeakPolarHBondContact O-CG 3.1Å; Y425-R429 PolarHBondContact O-N 3.04Å; Y425-R429 PolarHBondContact OH-NH1 2.93Å; L426-R429 PolarHBondContact O-N 3.27Å; M427-R429 PolarHBondContact O-N 2.54Å; R429-D432 PolarHBondContact O-N 3.16Å; R429-R433 PolarHBondContact O-N 2.96Å; R429-R433 VanDerWaalsContact O-N 3.14Å; R429-L463 HydrophobicContact CB-CD1 4.43Å; R429-L463 HydrophobicContact CB-CD2 3.62Å; R429-Y467 PolarHBondContact NH2-OH 3.47Å
430	S	98.1	Very high	96.6	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.007	15%	0.147	C	C	.	.	H	α-helix	trans	-70.3	-34.1	177	-57.3	0	0	0	0	112.5	L426 M427 L428 R433 F434 V460 L463	L426-S430 WeakPolarHBondContact O-CB 3.4Å; L426-S430 PolarHBondContact O-N 3.02Å; L426-S430 PolarHBondContact O-OG 2.9Å; M427-S430 CarbonylContact O-C 3.58Å; M427-S430 WeakPolarHBondContact O-CB 3.16Å; M427-S430 PolarHBondContact O-N 3.43Å; M427-S430 VanDerWaalsContact O-N 3.15Å; L428-S430 VanDerWaalsContact C-N 3.28Å; L428-S430 PolarHBondContact O-N 3.49Å; S430-R433 WeakPolarHBondContact O-CB 3.38Å; S430-R433 PolarHBondContact O-N 3.34Å; S430-F434 PolarHBondContact O-N 2.9Å; S430-V460 WeakPolarHBondContact OG-CA 3.36Å; S430-V460 WeakPolarHBondContact OG-CG2 3.38Å; S430-L463 WeakPolarHBondContact OG-CD2 3.21Å
431	V	98.3	Very high	97	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-66	-39.9	172.4	165.6	0	0	0	0	111.4	Y155 M427 L428 R433 F434 Y435 Y441 P442 L456 F481	Y155-V431 HydrophobicContact CD2-CG1 4.38Å; Y155-V431 HydrophobicContact CE1-CG2 4.21Å; Y155-V431 HydrophobicContact CE2-CG1 3.6Å; M427-V431 WeakPolarHBondContact O-CG2 3.21Å; M427-V431 PolarHBondContact O-N 3.05Å; L428-V431 WeakPolarHBondContact O-CB 3.28Å; L428-V431 PolarHBondContact O-N 3.08Å; V431-R433 VanDerWaalsContact C-N 3.32Å; V431-R433 PolarHBondContact O-N 3.39Å; V431-F434 WeakPolarHBondContact O-CB 3.32Å; V431-F434 PolarHBondContact O-N 2.88Å; V431-Y435 PolarHBondContact O-N 3.01Å; V431-Y441 HydrophobicContact CG1-CD1 3.61Å; V431-Y441 HydrophobicContact CG1-CE1 3.95Å; V431-P442 HydrophobicContact CG2-CG 4.13Å; V431-L456 HydrophobicContact CG2-CD1 4.17Å; V431-F481 HydrophobicContact CG2-CD1 3.75Å; V431-F481 HydrophobicContact CG2-CE1 4.47Å
432	D	97.1	Very high	97.2	Very high	9 Å²	9	29.6 Å²	29.6	5%	0.048	14%	0.142	C	C	.	.	H	α-helix	trans	-64.9	-39	176.2	-72.1	-30.1	0	0	0	111.8	E132 R153 L428 R429 Y435 Q436	E132-D432 HydrophobicContact CB-CB 3.99Å; R153-D432 IonicContact CZ-OD1 2.66Å; R153-D432 IonicContact NH1-OD1 3.4Å; R153-D432 PolarHBondContact NH1-OD1 3.01Å; R153-D432 IonicContact NH1-OD2 2.86Å; R153-D432 PolarHBondContact NH1-OD2 3.45Å; R153-D432 IonicContact NH2-OD1 3.09Å; R153-D432 PolarHBondContact NH2-OD1 3.43Å; L428-D432 PolarHBondContact O-N 3.33Å; R429-D432 PolarHBondContact O-N 3.16Å; D432-Y435 WeakPolarHBondContact O-CB 3.43Å; D432-Y435 PolarHBondContact O-N 3.06Å; D432-Q436 WeakPolarHBondContact O-CG 3.34Å; D432-Q436 PolarHBondContact O-N 2.94Å
433	R	96.9	Very high	97.2	Very high	23 Å²	23	29.8 Å²	29.8	9%	0.087	14%	0.144	C	C	.	.	H	α-helix	trans	-61.1	-43.9	171	-173.5	171.6	-59.4	-141.1	-10.5	112.4	R429 S430 V431 Y435 Q436 Q437 C459 S462 L463 E466	R429-R433 PolarHBondContact O-N 2.96Å; R429-R433 VanDerWaalsContact O-N 3.14Å; S430-R433 WeakPolarHBondContact O-CB 3.38Å; S430-R433 PolarHBondContact O-N 3.34Å; V431-R433 VanDerWaalsContact C-N 3.32Å; V431-R433 PolarHBondContact O-N 3.39Å; R433-Y435 VanDerWaalsContact C-N 3.3Å; R433-Y435 PolarHBondContact O-N 3.48Å; R433-Q436 PolarHBondContact O-N 2.69Å; R433-Q437 WeakPolarHBondContact O-CG 3.3Å; R433-Q437 PolarHBondContact O-N 2.88Å; R433-C459 HydrophobicContact CB-CB 4.37Å; R433-C459 HydrophobicContact CG-CB 4.28Å; R433-S462 PolarHBondContact NH1-O 3.36Å; R433-S462 PolarHBondContact NH1-OG 3.01Å; R433-L463 VanDerWaalsContact NH1-CA 3.28Å; R433-L463 VanDerWaalsContact NH1-N 3.17Å; R433-E466 IonicContact CZ-OE2 3.65Å; R433-E466 IonicContact NH1-OE2 2.88Å; R433-E466 PolarHBondContact NH1-OE2 2.99Å; R433-E466 IonicContact NH2-OE1 3.2Å; R433-E466 IonicContact NH2-OE2 2.87Å; R433-E466 PolarHBondContact NH2-OE2 2.74Å
434	F	98.3	Very high	97.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-58.3	-45.3	174.3	-177.5	-75.2	0	0	0	110.8	S430 V431 Q436 Q437 H438 R440 P442 D452 K455 L456	S430-F434 PolarHBondContact O-N 2.9Å; V431-F434 WeakPolarHBondContact O-CB 3.32Å; V431-F434 PolarHBondContact O-N 2.88Å; F434-Q436 PolarHBondContact O-N 2.74Å; F434-Q437 PolarHBondContact O-N 3.13Å; F434-H438 HydrophobicContact CD1-CB 4.25Å; F434-H438 AromaticContact CD1-CD2 3.87Å; F434-H438 AromaticContact CD2-CD2 3.61Å; F434-H438 HydrophobicContact CE1-CB 3.9Å; F434-H438 AromaticContact CE1-CD2 3.78Å; F434-H438 AromaticContact CE2-CD2 3.55Å; F434-H438 AromaticContact CG-CD2 3.78Å; F434-H438 HydrophobicContact CZ-CB 4.34Å; F434-H438 AromaticContact CZ-CD2 3.62Å; F434-H438 WeakPolarHBondContact O-CB 3.34Å; F434-H438 PolarHBondContact O-CD2 2.7Å; F434-H438 PolarHBondContact O-N 2.86Å; F434-R440 WeakPolarHBondContact CD1-O 3.32Å; F434-R440 HydrophobicContact CE1-CG 4.39Å; F434-R440 VanDerWaalsContact CE1-O 3.27Å; F434-R440 WeakPolarHBondContact CE1-O 3.36Å; F434-P442 HydrophobicContact CD1-CB 4.15Å; F434-P442 HydrophobicContact CD1-CG 4.29Å; F434-P442 HydrophobicContact CD2-CB 4.24Å; F434-P442 HydrophobicContact CE1-CB 3.97Å; F434-P442 HydrophobicContact CE2-CB 4.01Å; F434-P442 HydrophobicContact CG-CB 4.31Å; F434-P442 HydrophobicContact CG-CG 4.4Å; F434-P442 HydrophobicContact CZ-CB 3.89Å; F434-D452 HydrophobicContact CE2-CB 4.27Å; F434-D452 HydrophobicContact CZ-CB 4.22Å; F434-K455 HydrophobicContact CD2-CB 4.21Å; F434-K455 HydrophobicContact CE2-CB 3.63Å; F434-K455 HydrophobicContact CE2-CD 4.28Å; F434-L456 HydrophobicContact CB-CD1 4.21Å; F434-L456 HydrophobicContact CD2-CB 4.28Å; F434-L456 HydrophobicContact CD2-CD1 4.43Å
435	Y	97.3	Very high	97	Very high	80 Å²	80	39.2 Å²	39.2	31%	0.314	19%	0.187	S	C	.	.	H	α-helix	trans	-61.1	-42.7	178	-175	-89.9	0	0	0	111.9	P131 V431 D432 R433 Q437 S439 Y441	P131-Y435 HydrophobicContact CB-CE1 4.45Å; V431-Y435 PolarHBondContact O-N 3.01Å; D432-Y435 WeakPolarHBondContact O-CB 3.43Å; D432-Y435 PolarHBondContact O-N 3.06Å; R433-Y435 VanDerWaalsContact C-N 3.3Å; R433-Y435 PolarHBondContact O-N 3.48Å; Y435-Q437 VanDerWaalsContact C-N 3.32Å; Y435-Q437 PolarHBondContact O-N 3.23Å; Y435-S439 WeakPolarHBondContact O-CA 3.45Å; Y435-S439 PolarHBondContact O-N 2.85Å; Y435-Y441 AromaticContact CD2-CD1 3.75Å; Y435-Y441 HydrophobicContact CD2-CD1 3.75Å; Y435-Y441 HydrophobicContact CD2-CD2 4.01Å; Y435-Y441 AromaticContact CD2-CE1 3.58Å; Y435-Y441 HydrophobicContact CD2-CE1 3.58Å; Y435-Y441 AromaticContact CD2-CE2 3.86Å; Y435-Y441 HydrophobicContact CD2-CE2 3.86Å; Y435-Y441 AromaticContact CD2-CG 3.97Å; Y435-Y441 HydrophobicContact CD2-CG 3.97Å; Y435-Y441 AromaticContact CD2-CZ 3.65Å; Y435-Y441 HydrophobicContact CE2-CD2 4.22Å; Y435-Y441 HydrophobicContact CE2-CE1 4.4Å; Y435-Y441 AromaticContact CE2-CE2 3.91Å; Y435-Y441 HydrophobicContact CE2-CE2 3.91Å; Y435-Y441 HydrophobicContact CG-CD1 4.3Å; Y435-Y441 AromaticContact CG-CE1 3.9Å; Y435-Y441 HydrophobicContact CG-CE1 3.9Å
436	Q	95.1	Very high	96.8	Very high	102 Å²	102	46.4 Å²	46.4	48%	0.477	23%	0.225	S	C	.	.	H	α-helix	trans	-61.5	-38.7	175.6	-71.4	171.1	3	0	0	112.6	E132 D432 R433 F434	E132-Q436 PolarHBondContact OE1-NE2 3.46Å; D432-Q436 WeakPolarHBondContact O-CG 3.34Å; D432-Q436 PolarHBondContact O-N 2.94Å; R433-Q436 PolarHBondContact O-N 2.69Å; F434-Q436 PolarHBondContact O-N 2.74Å
437	Q	96.3	Very high	96.7	Very high	108 Å²	108	54.4 Å²	54.4	51%	0.505	26%	0.257	S	S	.	.	H	α-helix	trans	-79.7	-32	-178	-68.7	179.6	8.9	0	0	113.5	R433 F434 Y435	R433-Q437 WeakPolarHBondContact O-CG 3.3Å; R433-Q437 PolarHBondContact O-N 2.88Å; F434-Q437 PolarHBondContact O-N 3.13Å; Y435-Q437 VanDerWaalsContact C-N 3.32Å; Y435-Q437 PolarHBondContact O-N 3.23Å
438	H	95.9	Very high	96.6	Very high	69 Å²	69	55.2 Å²	55.2	32%	0.319	26%	0.26	S	S	.	.	H	α-helix	trans	-117.5	-5.1	-170.1	-61.2	-57.1	0	0	0	114.4	F434 R440	F434-H438 HydrophobicContact CD1-CB 4.25Å; F434-H438 AromaticContact CD1-CD2 3.87Å; F434-H438 AromaticContact CD2-CD2 3.61Å; F434-H438 HydrophobicContact CE1-CB 3.9Å; F434-H438 AromaticContact CE1-CD2 3.78Å; F434-H438 AromaticContact CE2-CD2 3.55Å; F434-H438 AromaticContact CG-CD2 3.78Å; F434-H438 HydrophobicContact CZ-CB 4.34Å; F434-H438 AromaticContact CZ-CD2 3.62Å; F434-H438 WeakPolarHBondContact O-CB 3.34Å; F434-H438 PolarHBondContact O-CD2 2.7Å; F434-H438 PolarHBondContact O-N 2.86Å; H438-R440 HydrophobicContact CB-CG 4.29Å; H438-R440 PolarHBondContact O-N 3.42Å; H438-R440 VanDerWaalsContact O-N 3.13Å
439	S	95.6	Very high	96.4	Very high	101 Å²	101	56.3 Å²	56.3	71%	0.706	27%	0.267	S	S	*	.	S	Bend	trans	54.6	25.6	-177.4	-57.2	0	0	0	0	114.2	Y435	Y435-S439 WeakPolarHBondContact O-CA 3.45Å; Y435-S439 PolarHBondContact O-N 2.85Å
440	R	96.1	Very high	96.4	Very high	61 Å²	61	63 Å²	63	23%	0.23	30%	0.299	C	S	.	.	S	Bend	trans	-156	161	174.7	66.1	174.7	-176.2	76.3	-4.1	109.5	F434 H438 D452	F434-R440 WeakPolarHBondContact CD1-O 3.32Å; F434-R440 HydrophobicContact CE1-CG 4.39Å; F434-R440 VanDerWaalsContact CE1-O 3.27Å; F434-R440 WeakPolarHBondContact CE1-O 3.36Å; H438-R440 HydrophobicContact CB-CG 4.29Å; H438-R440 PolarHBondContact O-N 3.42Å; H438-R440 VanDerWaalsContact O-N 3.13Å; R440-D452 IonicContact CZ-OD1 2.68Å; R440-D452 IonicContact CZ-OD2 2.89Å; R440-D452 IonicContact NH1-OD1 2.68Å; R440-D452 IonicContact NH1-OD2 3.73Å; R440-D452 PolarHBondContact NH1-OD2 3.35Å; R440-D452 IonicContact NH2-OD1 3.87Å; R440-D452 PolarHBondContact NH2-OD1 3.46Å; R440-D452 IonicContact NH2-OD2 3.84Å; R440-D452 PolarHBondContact NH2-OD2 2.69Å
441	Y	97.8	Very high	96.3	Very high	45 Å²	45	68.3 Å²	68.3	18%	0.176	32%	0.324	C	S	.	.			trans	-80.6	157.4	172.9	-68.6	-62.6	0	0	0	112.2	R153 Y155 V431 Y435 V444 A486	R153-Y441 PolarHBondContact NH2-OH 2.6Å; Y155-Y441 HydrophobicContact CE2-CD1 4.2Å; Y155-Y441 HydrophobicContact CE2-CG 4.45Å; V431-Y441 HydrophobicContact CG1-CD1 3.61Å; V431-Y441 HydrophobicContact CG1-CE1 3.95Å; Y435-Y441 AromaticContact CD2-CD1 3.75Å; Y435-Y441 HydrophobicContact CD2-CD1 3.75Å; Y435-Y441 HydrophobicContact CD2-CD2 4.01Å; Y435-Y441 AromaticContact CD2-CE1 3.58Å; Y435-Y441 HydrophobicContact CD2-CE1 3.58Å; Y435-Y441 AromaticContact CD2-CE2 3.86Å; Y435-Y441 HydrophobicContact CD2-CE2 3.86Å; Y435-Y441 AromaticContact CD2-CG 3.97Å; Y435-Y441 HydrophobicContact CD2-CG 3.97Å; Y435-Y441 AromaticContact CD2-CZ 3.65Å; Y435-Y441 HydrophobicContact CE2-CD2 4.22Å; Y435-Y441 HydrophobicContact CE2-CE1 4.4Å; Y435-Y441 AromaticContact CE2-CE2 3.91Å; Y435-Y441 HydrophobicContact CE2-CE2 3.91Å; Y435-Y441 HydrophobicContact CG-CD1 4.3Å; Y435-Y441 AromaticContact CG-CE1 3.9Å; Y435-Y441 HydrophobicContact CG-CE1 3.9Å; Y441-V444 WeakPolarHBondContact O-CG2 3.37Å; Y441-A486 VanDerWaalsContact CB-CB 3.48Å; Y441-A486 HydrophobicContact CD1-CB 4.47Å; Y441-A486 HydrophobicContact CD2-CB 3.66Å; Y441-A486 HydrophobicContact CG-CB 3.62Å
442	P	98	Very high	96.3	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	138.1	178.7	27.9	-33.2	0	0	0	111.6	Y155 V431 F434 V444 D452 L456	Y155-P442 WeakPolarHBondContact OH-CD 3.33Å; Y155-P442 WeakPolarHBondContact OH-CG 3.28Å; V431-P442 HydrophobicContact CG2-CG 4.13Å; F434-P442 HydrophobicContact CD1-CB 4.15Å; F434-P442 HydrophobicContact CD1-CG 4.29Å; F434-P442 HydrophobicContact CD2-CB 4.24Å; F434-P442 HydrophobicContact CE1-CB 3.97Å; F434-P442 HydrophobicContact CE2-CB 4.01Å; F434-P442 HydrophobicContact CG-CB 4.31Å; F434-P442 HydrophobicContact CG-CG 4.4Å; F434-P442 HydrophobicContact CZ-CB 3.89Å; P442-V444 VanDerWaalsContact C-N 3.33Å; P442-V444 PolarHBondContact O-N 3.34Å; P442-D452 HydrophobicContact CB-CB 4.15Å; P442-L456 HydrophobicContact CB-CD2 4.5Å; P442-L456 HydrophobicContact CG-CD2 4.25Å
443	G	97.1	Very high	96.3	Very high	4 Å²	4	68.7 Å²	68.7	4%	0.041	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.2	22.2	170	0	0	0	0	0	116.3	Y445 D452 C482 G485	G443-Y445 VanDerWaalsContact C-N 3.26Å; G443-Y445 PolarHBondContact O-N 3.46Å; G443-D452 PolarHBondContact N-OD2 3.06Å; G443-C482 WeakPolarHBondContact CA-O 3.48Å; G443-G485 VanDerWaalsContact O-CA 3.24Å; G443-G485 WeakPolarHBondContact O-CA 3.26Å
444	V	95.5	Very high	96.3	Very high	63 Å²	63	71.3 Å²	71.3	38%	0.382	35%	0.347	S	S	.	.	S	Bend	trans	-57.5	-40	179.1	174.6	0	0	0	0	111.6	Y441 P442	Y441-V444 WeakPolarHBondContact O-CG2 3.37Å; P442-V444 VanDerWaalsContact C-N 3.33Å; P442-V444 PolarHBondContact O-N 3.34Å
445	Y	95.2	Very high	96.3	Very high	137 Å²	137	73.6 Å²	73.6	54%	0.537	36%	0.357	S	S	.	.	S	Bend	trans	-109.2	144.5	172.6	-58.4	-70.1	0	0	0	111.3	G443 Y447 Q448	G443-Y445 VanDerWaalsContact C-N 3.26Å; G443-Y445 PolarHBondContact O-N 3.46Å; Y445-Y447 HydrophobicContact CD2-CE1 4.11Å; Y445-Y447 AromaticContact CG-CE1 3.78Å; Y445-Y447 HydrophobicContact CG-CE1 3.78Å; Y445-Y447 PolarHBondContact O-N 3.48Å; Y445-Q448 VanDerWaalsContact O-CB 3.32Å; Y445-Q448 WeakPolarHBondContact O-CB 3.31Å; Y445-Q448 PolarHBondContact O-N 2.97Å
446	N	93.2	Very high	96.3	Very high	154 Å²	154	69.8 Å²	69.8	82%	0.824	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-51.9	-35.9	-176.8	-67.2	-15.6	0	0	0	114.2	Q448	N446-Q448 PolarHBondContact O-N 3.39Å
447	Y	94.5	Very high	96.5	Very high	171 Å²	171	68.4 Å²	68.4	67%	0.671	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-73.7	-13.2	-179.9	67.8	-95.7	0	0	0	113.7	Y445	Y445-Y447 HydrophobicContact CD2-CE1 4.11Å; Y445-Y447 AromaticContact CG-CE1 3.78Å; Y445-Y447 HydrophobicContact CG-CE1 3.78Å; Y445-Y447 PolarHBondContact O-N 3.48Å
448	Q	95.8	Very high	96.6	Very high	16 Å²	16	68.9 Å²	68.9	8%	0.075	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-90	-21.7	-178.7	-60.1	177.9	-28.3	0	0	112.8	Y445 N446 E450 E451 D452	Y445-Q448 VanDerWaalsContact O-CB 3.32Å; Y445-Q448 WeakPolarHBondContact O-CB 3.31Å; Y445-Q448 PolarHBondContact O-N 2.97Å; N446-Q448 PolarHBondContact O-N 3.39Å; Q448-E450 PolarHBondContact O-N 3.29Å; Q448-E451 PolarHBondContact O-N 3.49Å; Q448-D452 WeakPolarHBondContact CB-OD2 3.31Å; Q448-D452 VanDerWaalsContact O-CB 3.29Å; Q448-D452 WeakPolarHBondContact O-CB 3.29Å; Q448-D452 PolarHBondContact O-N 3.3Å
449	V	95.8	Very high	96.7	Very high	29 Å²	29	65.6 Å²	65.6	18%	0.176	33%	0.325	C	S	.	.	H	α-helix	trans	-55	-52.2	-169.4	177.3	0	0	0	0	112	E451 D452 I453 C482	V449-E451 PolarHBondContact O-N 3.11Å; V449-D452 PolarHBondContact O-N 2.93Å; V449-I453 HydrophobicContact CG1-CD1 4.24Å; V449-I453 WeakPolarHBondContact O-CD1 3.44Å; V449-I453 VanDerWaalsContact O-CG1 3.29Å; V449-I453 WeakPolarHBondContact O-CG1 3.3Å; V449-I453 PolarHBondContact O-N 2.95Å; V449-I453 VanDerWaalsContact O-N 3.13Å; V449-C482 HydrophobicContact CG1-CB 4.21Å
450	E	95.8	Very high	96.8	Very high	150 Å²	150	60.9 Å²	60.9	70%	0.701	29%	0.292	S	S	*	.	H	α-helix	trans	-61.8	-41.8	-178.7	-67.1	-61.6	154.2	0	0	112.9	Q448	Q448-E450 PolarHBondContact O-N 3.29Å
451	E	96.3	Very high	96.8	Very high	113 Å²	113	62 Å²	62	53%	0.528	30%	0.303	S	S	.	.	H	α-helix	trans	-70.2	-38.7	179.2	-167.5	-170.1	159.4	0	0	111.6	Q448 V449 K455	Q448-E451 PolarHBondContact O-N 3.49Å; V449-E451 PolarHBondContact O-N 3.11Å; E451-K455 VanDerWaalsContact CD-NZ 3.27Å; E451-K455 VanDerWaalsContact OE1-CE 3.25Å; E451-K455 WeakPolarHBondContact OE1-CE 3.27Å; E451-K455 IonicContact OE1-NZ 2.96Å; E451-K455 PolarHBondContact OE1-NZ 3.36Å; E451-K455 IonicContact OE2-NZ 3.22Å
452	D	97.9	Very high	96.8	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-75.5	-24.7	-174.4	-72.8	-12.2	0	0	0	113.2	F434 R440 P442 G443 Q448 V449 S454 K455 L456	F434-D452 HydrophobicContact CE2-CB 4.27Å; F434-D452 HydrophobicContact CZ-CB 4.22Å; R440-D452 IonicContact CZ-OD1 2.68Å; R440-D452 IonicContact CZ-OD2 2.89Å; R440-D452 IonicContact NH1-OD1 2.68Å; R440-D452 IonicContact NH1-OD2 3.73Å; R440-D452 PolarHBondContact NH1-OD2 3.35Å; R440-D452 IonicContact NH2-OD1 3.87Å; R440-D452 PolarHBondContact NH2-OD1 3.46Å; R440-D452 IonicContact NH2-OD2 3.84Å; R440-D452 PolarHBondContact NH2-OD2 2.69Å; P442-D452 HydrophobicContact CB-CB 4.15Å; G443-D452 PolarHBondContact N-OD2 3.06Å; Q448-D452 WeakPolarHBondContact CB-OD2 3.31Å; Q448-D452 VanDerWaalsContact O-CB 3.29Å; Q448-D452 WeakPolarHBondContact O-CB 3.29Å; Q448-D452 PolarHBondContact O-N 3.3Å; V449-D452 PolarHBondContact O-N 2.93Å; D452-S454 VanDerWaalsContact C-N 3.28Å; D452-S454 PolarHBondContact O-N 3.01Å; D452-K455 PolarHBondContact O-N 2.96Å; D452-K455 VanDerWaalsContact O-N 3.15Å; D452-K455 IonicContact OD1-NZ 2.63Å; D452-L456 WeakPolarHBondContact O-CB 3.35Å; D452-L456 PolarHBondContact O-N 2.89Å
453	I	97.9	Very high	96.7	Very high	16 Å²	16	62.1 Å²	62.1	8%	0.082	31%	0.31	C	S	.	.	H	α-helix	trans	-54.3	-47.3	174.2	-74.3	156	0	0	0	110.8	V449 K455 K457 I478 H479 C482	V449-I453 HydrophobicContact CG1-CD1 4.24Å; V449-I453 WeakPolarHBondContact O-CD1 3.44Å; V449-I453 VanDerWaalsContact O-CG1 3.29Å; V449-I453 WeakPolarHBondContact O-CG1 3.3Å; V449-I453 PolarHBondContact O-N 2.95Å; V449-I453 VanDerWaalsContact O-N 3.13Å; I453-K455 PolarHBondContact O-N 2.81Å; I453-K457 WeakPolarHBondContact O-CB 3.29Å; I453-K457 PolarHBondContact O-N 3.17Å; I453-I478 HydrophobicContact CG2-CG2 4.33Å; I453-H479 WeakPolarHBondContact CD1-ND1 3.47Å; I453-C482 HydrophobicContact CG1-CB 3.99Å
454	S	97.3	Very high	96.6	Very high	79 Å²	79	62.8 Å²	62.8	55%	0.552	31%	0.312	S	S	*	.	H	α-helix	trans	-66.2	-39.2	-179.8	-65.5	0	0	0	0	111.8	D452 L458	D452-S454 VanDerWaalsContact C-N 3.28Å; D452-S454 PolarHBondContact O-N 3.01Å; S454-L458 WeakPolarHBondContact O-CG 3.31Å; S454-L458 PolarHBondContact O-N 3.22Å
455	K	98	Very high	96.7	Very high	48 Å²	48	67.4 Å²	67.4	21%	0.209	33%	0.33	C	S	.	.	H	α-helix	trans	-70.2	-42.2	179.1	-67.7	175	-171.9	166	0	112.3	F434 E451 D452 I453 K457 L458 C459	F434-K455 HydrophobicContact CD2-CB 4.21Å; F434-K455 HydrophobicContact CE2-CB 3.63Å; F434-K455 HydrophobicContact CE2-CD 4.28Å; E451-K455 VanDerWaalsContact CD-NZ 3.27Å; E451-K455 VanDerWaalsContact OE1-CE 3.25Å; E451-K455 WeakPolarHBondContact OE1-CE 3.27Å; E451-K455 IonicContact OE1-NZ 2.96Å; E451-K455 PolarHBondContact OE1-NZ 3.36Å; E451-K455 IonicContact OE2-NZ 3.22Å; D452-K455 PolarHBondContact O-N 2.96Å; D452-K455 VanDerWaalsContact O-N 3.15Å; D452-K455 IonicContact OD1-NZ 2.63Å; I453-K455 PolarHBondContact O-N 2.81Å; K455-K457 VanDerWaalsContact C-N 3.32Å; K455-K457 PolarHBondContact O-N 2.79Å; K455-L458 WeakPolarHBondContact O-CB 3.15Å; K455-L458 PolarHBondContact O-N 3.45Å; K455-C459 PolarHBondContact O-N 3.08Å; K455-C459 VanDerWaalsContact O-N 3.08Å; K455-C459 PolarHBondContact O-SG 3Å; K455-C459 VanDerWaalsContact O-SG 3.36Å
456	L	98.4	Very high	96.7	Very high	0 Å²	0	65 Å²	65	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-64.9	-39.1	176.2	-176.3	59.6	0	0	0	110.6	M427 V431 F434 P442 D452 L458 C459 V460 I478 F481 C482	M427-L456 HydrophobicContact CE-CD2 3.79Å; M427-L456 HydrophobicContact CE-CG 4.23Å; V431-L456 HydrophobicContact CG2-CD1 4.17Å; F434-L456 HydrophobicContact CB-CD1 4.21Å; F434-L456 HydrophobicContact CD2-CB 4.28Å; F434-L456 HydrophobicContact CD2-CD1 4.43Å; P442-L456 HydrophobicContact CB-CD2 4.5Å; P442-L456 HydrophobicContact CG-CD2 4.25Å; D452-L456 WeakPolarHBondContact O-CB 3.35Å; D452-L456 PolarHBondContact O-N 2.89Å; L456-L458 VanDerWaalsContact C-N 3.3Å; L456-L458 PolarHBondContact O-N 2.97Å; L456-C459 HydrophobicContact CD1-CB 4.49Å; L456-C459 WeakPolarHBondContact O-CA 3.48Å; L456-C459 WeakPolarHBondContact O-CB 3.41Å; L456-C459 PolarHBondContact O-N 3.37Å; L456-V460 WeakPolarHBondContact O-CG2 3.2Å; L456-V460 PolarHBondContact O-N 3.13Å; L456-I478 HydrophobicContact CB-CG2 4.06Å; L456-I478 HydrophobicContact CD2-CG2 4.05Å; L456-I478 HydrophobicContact CG-CG2 4.07Å; L456-F481 HydrophobicContact CD2-CB 3.97Å; L456-C482 VanDerWaalsContact CD2-SG 3.59Å
457	K	98	Very high	96.7	Very high	72 Å²	72	58 Å²	58	31%	0.313	29%	0.285	S	S	.	.	H	α-helix	trans	-59	-39	173	-172.5	163.8	-177.6	163.5	0	112.9	I453 K455 V460 N461 D475 I478	I453-K457 WeakPolarHBondContact O-CB 3.29Å; I453-K457 PolarHBondContact O-N 3.17Å; K455-K457 VanDerWaalsContact C-N 3.32Å; K455-K457 PolarHBondContact O-N 2.79Å; K457-V460 PolarHBondContact O-N 2.77Å; K457-N461 PolarHBondContact O-N 3.41Å; K457-N461 PolarHBondContact O-ND2 2.75Å; K457-D475 VanDerWaalsContact CE-OD1 3.31Å; K457-D475 WeakPolarHBondContact CE-OD1 3.47Å; K457-D475 IonicContact NZ-OD1 3.59Å; K457-D475 PolarHBondContact NZ-OD1 3.15Å; K457-D475 IonicContact NZ-OD2 2.67Å; K457-D475 PolarHBondContact NZ-OD2 3.47Å; K457-I478 HydrophobicContact CB-CD1 3.95Å; K457-I478 HydrophobicContact CB-CG2 4.31Å; K457-I478 HydrophobicContact CD-CD1 4.25Å; K457-I478 HydrophobicContact CG-CD1 3.87Å
458	L	97.8	Very high	96.7	Very high	118 Å²	118	53.6 Å²	53.6	62%	0.618	28%	0.28	S	S	*	.	H	α-helix	trans	-64.4	-39.7	172.8	-67.5	171.6	0	0	0	111.9	S454 K455 L456 N461 S462	S454-L458 WeakPolarHBondContact O-CG 3.31Å; S454-L458 PolarHBondContact O-N 3.22Å; K455-L458 WeakPolarHBondContact O-CB 3.15Å; K455-L458 PolarHBondContact O-N 3.45Å; L456-L458 VanDerWaalsContact C-N 3.3Å; L456-L458 PolarHBondContact O-N 2.97Å; L458-N461 PolarHBondContact O-N 2.91Å; L458-S462 VanDerWaalsContact O-CB 3.26Å; L458-S462 WeakPolarHBondContact O-CB 3.4Å; L458-S462 PolarHBondContact O-N 3.44Å
459	C	98.1	Very high	96.6	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-63.3	-43.7	175.5	-64.5	0	0	0	0	111.9	R433 K455 L456 S462 L463	R433-C459 HydrophobicContact CB-CB 4.37Å; R433-C459 HydrophobicContact CG-CB 4.28Å; K455-C459 PolarHBondContact O-N 3.08Å; K455-C459 VanDerWaalsContact O-N 3.08Å; K455-C459 PolarHBondContact O-SG 3Å; K455-C459 VanDerWaalsContact O-SG 3.36Å; L456-C459 HydrophobicContact CD1-CB 4.49Å; L456-C459 WeakPolarHBondContact O-CA 3.48Å; L456-C459 WeakPolarHBondContact O-CB 3.41Å; L456-C459 PolarHBondContact O-N 3.37Å; C459-S462 PolarHBondContact O-N 2.87Å; C459-L463 WeakPolarHBondContact O-CB 3.43Å; C459-L463 PolarHBondContact O-N 3.07Å
460	V	97.8	Very high	96.4	Very high	3 Å²	3	59.5 Å²	59.5	2%	0.018	31%	0.311	C	S	.	.	H	α-helix	trans	-58.7	-53.7	175.2	173.8	0	0	0	0	110.4	M427 S430 L456 K457 S462 L463 L464 V473 I478	M427-V460 HydrophobicContact CE-CG2 4.25Å; M427-V460 HydrophobicContact SD-CG2 3.81Å; S430-V460 WeakPolarHBondContact OG-CA 3.36Å; S430-V460 WeakPolarHBondContact OG-CG2 3.38Å; L456-V460 WeakPolarHBondContact O-CG2 3.2Å; L456-V460 PolarHBondContact O-N 3.13Å; K457-V460 PolarHBondContact O-N 2.77Å; V460-S462 VanDerWaalsContact C-N 3.28Å; V460-S462 PolarHBondContact O-N 2.88Å; V460-L463 WeakPolarHBondContact O-CB 3.27Å; V460-L463 PolarHBondContact O-N 3.22Å; V460-L463 VanDerWaalsContact O-N 3.11Å; V460-L464 HydrophobicContact CG1-CD1 4.06Å; V460-L464 HydrophobicContact CG1-CG 4.38Å; V460-L464 WeakPolarHBondContact O-CG 3.41Å; V460-L464 PolarHBondContact O-N 2.82Å; V460-V473 HydrophobicContact CG1-CB 4.12Å; V460-V473 HydrophobicContact CG1-CG2 4.07Å; V460-I478 HydrophobicContact CG2-CD1 4.35Å; V460-I478 HydrophobicContact CG2-CG1 4.29Å
461	N	97.1	Very high	96.2	Very high	85 Å²	85	53.5 Å²	53.5	46%	0.455	28%	0.284	S	S	.	.	H	α-helix	trans	-60.2	-39.9	-179.5	-70.9	-25	0	0	0	112.2	K457 L458 L464 Q465	K457-N461 PolarHBondContact O-N 3.41Å; K457-N461 PolarHBondContact O-ND2 2.75Å; L458-N461 PolarHBondContact O-N 2.91Å; N461-L464 PolarHBondContact O-N 2.9Å; N461-Q465 WeakPolarHBondContact O-CB 3.47Å; N461-Q465 PolarHBondContact O-N 3.15Å
462	S	96.9	Very high	95.9	Very high	46 Å²	46	54.4 Å²	54.4	32%	0.322	29%	0.293	S	S	.	.	H	α-helix	trans	-62.3	-42.9	175.5	172.6	0	0	0	0	112	R433 L458 C459 V460 Q465 E466	R433-S462 PolarHBondContact NH1-O 3.36Å; R433-S462 PolarHBondContact NH1-OG 3.01Å; L458-S462 VanDerWaalsContact O-CB 3.26Å; L458-S462 WeakPolarHBondContact O-CB 3.4Å; L458-S462 PolarHBondContact O-N 3.44Å; C459-S462 PolarHBondContact O-N 2.87Å; V460-S462 VanDerWaalsContact C-N 3.28Å; V460-S462 PolarHBondContact O-N 2.88Å; S462-Q465 PolarHBondContact O-N 2.82Å; S462-E466 WeakPolarHBondContact O-CB 3.39Å; S462-E466 PolarHBondContact O-N 2.78Å
463	L	96.4	Very high	95.8	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-63.8	-47.3	178.1	179.8	72.5	0	0	0	111.4	R429 S430 R433 C459 V460 Q465 E466 Y467	R429-L463 HydrophobicContact CB-CD1 4.43Å; R429-L463 HydrophobicContact CB-CD2 3.62Å; S430-L463 WeakPolarHBondContact OG-CD2 3.21Å; R433-L463 VanDerWaalsContact NH1-CA 3.28Å; R433-L463 VanDerWaalsContact NH1-N 3.17Å; C459-L463 WeakPolarHBondContact O-CB 3.43Å; C459-L463 PolarHBondContact O-N 3.07Å; V460-L463 WeakPolarHBondContact O-CB 3.27Å; V460-L463 PolarHBondContact O-N 3.22Å; V460-L463 VanDerWaalsContact O-N 3.11Å; L463-Q465 VanDerWaalsContact C-N 3.31Å; L463-Q465 PolarHBondContact O-N 2.76Å; L463-E466 PolarHBondContact O-N 2.92Å; L463-Y467 HydrophobicContact CD1-CD2 3.88Å; L463-Y467 HydrophobicContact CD1-CE2 3.54Å; L463-Y467 HydrophobicContact CG-CD2 4.3Å; L463-Y467 HydrophobicContact CG-CE2 4.39Å; L463-Y467 PolarHBondContact O-N 3.01Å
464	L	96	Very high	95.6	Very high	18 Å²	18	57.3 Å²	57.3	9%	0.094	31%	0.306	C	S	.	.	H	α-helix	trans	-62.2	-40.4	178.5	-62.9	-179.3	0	0	0	111.5	L426 V460 N461 S468 L469 V471 V473	L426-L464 HydrophobicContact CD1-CD2 4.28Å; V460-L464 HydrophobicContact CG1-CD1 4.06Å; V460-L464 HydrophobicContact CG1-CG 4.38Å; V460-L464 WeakPolarHBondContact O-CG 3.41Å; V460-L464 PolarHBondContact O-N 2.82Å; N461-L464 PolarHBondContact O-N 2.9Å; L464-S468 CarbonylContact O-C 3.57Å; L464-S468 WeakPolarHBondContact O-CA 3.38Å; L464-S468 PolarHBondContact O-N 3.21Å; L464-L469 HydrophobicContact CD2-CB 4.06Å; L464-L469 HydrophobicContact CD2-CD1 4.1Å; L464-L469 PolarHBondContact O-N 3.38Å; L464-V471 HydrophobicContact CD1-CG2 4.44Å; L464-V471 HydrophobicContact CD2-CG2 3.6Å; L464-V473 HydrophobicContact CD1-CG2 4.36Å
465	Q	96.1	Very high	95.6	Very high	159 Å²	159	56.9 Å²	56.9	74%	0.743	30%	0.297	S	S	*	.	H	α-helix	trans	-66.1	-44.8	176.7	-174.4	178.3	4.1	0	0	112	N461 S462 L463 Y467 S468	N461-Q465 WeakPolarHBondContact O-CB 3.47Å; N461-Q465 PolarHBondContact O-N 3.15Å; S462-Q465 PolarHBondContact O-N 2.82Å; L463-Q465 VanDerWaalsContact C-N 3.31Å; L463-Q465 PolarHBondContact O-N 2.76Å; Q465-Y467 PolarHBondContact O-N 3.44Å; Q465-S468 PolarHBondContact O-N 3.35Å; Q465-S468 VanDerWaalsContact O-N 3.09Å
466	E	94.8	Very high	95.5	Very high	86 Å²	86	60.2 Å²	60.2	40%	0.402	32%	0.317	S	S	.	.	H	α-helix	trans	-61.8	-45.2	-179.4	-176.9	-179.5	160.3	0	0	112	V403 R433 S462 L463 S468	V403-E466 WeakPolarHBondContact CG1-O 3.17Å; V403-E466 HydrophobicContact CG2-CG 3.85Å; R433-E466 IonicContact CZ-OE2 3.65Å; R433-E466 IonicContact NH1-OE2 2.88Å; R433-E466 PolarHBondContact NH1-OE2 2.99Å; R433-E466 IonicContact NH2-OE1 3.2Å; R433-E466 IonicContact NH2-OE2 2.87Å; R433-E466 PolarHBondContact NH2-OE2 2.74Å; S462-E466 WeakPolarHBondContact O-CB 3.39Å; S462-E466 PolarHBondContact O-N 2.78Å; L463-E466 PolarHBondContact O-N 2.92Å; E466-S468 PolarHBondContact O-N 3.41Å
467	Y	94.6	Very high	95.4	Very high	7 Å²	7	61.4 Å²	61.4	3%	0.027	32%	0.322	C	S	.	.	H	α-helix	trans	-80.9	-4.7	175.7	-66.2	-23.3	0	0	0	113.8	Y401 V403 V406 K408 R429 L463 Q465 L469	Y401-Y467 PolarHBondContact O-OH 3.5Å; V403-Y467 HydrophobicContact CB-CD1 4.38Å; V403-Y467 HydrophobicContact CB-CE1 4.47Å; V403-Y467 HydrophobicContact CG1-CD1 4.49Å; V403-Y467 HydrophobicContact CG2-CD1 3.99Å; V403-Y467 HydrophobicContact CG2-CE1 3.84Å; V406-Y467 HydrophobicContact CG1-CD1 4.17Å; V406-Y467 HydrophobicContact CG1-CG 4.29Å; V406-Y467 HydrophobicContact CG2-CD2 4.4Å; V406-Y467 HydrophobicContact CG2-CE2 4.49Å; K408-Y467 WeakPolarHBondContact CD-O 3.37Å; K408-Y467 WeakPolarHBondContact CE-O 3.38Å; K408-Y467 PolarHBondContact NZ-O 3.06Å; R429-Y467 PolarHBondContact NH2-OH 3.47Å; L463-Y467 HydrophobicContact CD1-CD2 3.88Å; L463-Y467 HydrophobicContact CD1-CE2 3.54Å; L463-Y467 HydrophobicContact CG-CD2 4.3Å; L463-Y467 HydrophobicContact CG-CE2 4.39Å; L463-Y467 PolarHBondContact O-N 3.01Å; Q465-Y467 PolarHBondContact O-N 3.44Å; Y467-L469 VanDerWaalsContact C-N 3.29Å; Y467-L469 HydrophobicContact CD2-CD1 4.25Å; Y467-L469 PolarHBondContact O-N 3.37Å
468	S	94.9	Very high	95.4	Very high	80 Å²	80	58.1 Å²	58.1	56%	0.559	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	43.4	-175.9	-52.1	0	0	0	0	112.3	L464 Q465 E466	L464-S468 CarbonylContact O-C 3.57Å; L464-S468 WeakPolarHBondContact O-CA 3.38Å; L464-S468 PolarHBondContact O-N 3.21Å; Q465-S468 PolarHBondContact O-N 3.35Å; Q465-S468 VanDerWaalsContact O-N 3.09Å; E466-S468 PolarHBondContact O-N 3.41Å
469	L	93.6	Very high	95.5	Very high	8 Å²	8	56.7 Å²	56.7	4%	0.042	30%	0.298	C	S	.	.			trans	-90.4	116.3	179.6	-63.9	171.1	0	0	0	110	K408 I411 L426 L464 Y467 V471	K408-L469 HydrophobicContact CB-CD2 4.01Å; K408-L469 HydrophobicContact CG-CD2 4.13Å; I411-L469 HydrophobicContact CB-CD2 4.35Å; I411-L469 HydrophobicContact CD1-CD1 4.46Å; I411-L469 HydrophobicContact CG2-CD1 4.03Å; I411-L469 HydrophobicContact CG2-CD2 4.17Å; L426-L469 HydrophobicContact CD2-CD1 4.11Å; L464-L469 HydrophobicContact CD2-CB 4.06Å; L464-L469 HydrophobicContact CD2-CD1 4.1Å; L464-L469 PolarHBondContact O-N 3.38Å; Y467-L469 VanDerWaalsContact C-N 3.29Å; Y467-L469 HydrophobicContact CD2-CD1 4.25Å; Y467-L469 PolarHBondContact O-N 3.37Å; L469-V471 HydrophobicContact CB-CG2 4.12Å; L469-V471 PolarHBondContact O-N 3.18Å
470	N	90.3	Very high	95.4	Very high	160 Å²	160	58.7 Å²	58.7	86%	0.856	31%	0.307	S	S	*	.			trans	-85.9	57.4	176.7	-67.4	-29.1	0	0	0	111.4
471	V	92.3	Very high	95.5	Very high	24 Å²	24	58.6 Å²	58.6	15%	0.145	31%	0.307	C	S	.	.			trans	-120.6	155.3	179.9	-58.2	0	0	0	0	110.3	T412 M415 L426 L464 L469	T412-V471 HydrophobicContact CG2-CG1 4.42Å; M415-V471 HydrophobicContact CB-CB 4.01Å; M415-V471 HydrophobicContact CB-CG1 3.63Å; M415-V471 HydrophobicContact CE-CB 4.31Å; M415-V471 HydrophobicContact CE-CG2 4.38Å; M415-V471 HydrophobicContact CG-CB 4.23Å; M415-V471 HydrophobicContact CG-CG1 4.03Å; M415-V471 HydrophobicContact CG-CG2 4.42Å; L426-V471 HydrophobicContact CD1-CG2 4.08Å; L464-V471 HydrophobicContact CD1-CG2 4.44Å; L464-V471 HydrophobicContact CD2-CG2 3.6Å; L469-V471 HydrophobicContact CB-CG2 4.12Å; L469-V471 PolarHBondContact O-N 3.18Å
472	N	90.7	Very high	95.5	Very high	132 Å²	132	54.6 Å²	54.6	71%	0.706	29%	0.285	S	S	*	.			trans	-112.7	127.2	178	-173.6	35	0	0	0	110.5
473	V	94.4	Very high	95.6	Very high	9 Å²	9	60.8 Å²	60.8	6%	0.055	30%	0.302	C	S	.	.			trans	-100.2	123	173.9	177.3	0	0	0	0	108	M415 V423 L426 M427 V460 L464	M415-V473 HydrophobicContact CE-CG2 4.4Å; V423-V473 HydrophobicContact CG2-CB 4.45Å; V423-V473 HydrophobicContact CG2-CG1 3.8Å; V423-V473 HydrophobicContact CG2-CG2 4.24Å; L426-V473 HydrophobicContact CD1-CG2 4.5Å; M427-V473 HydrophobicContact CG-CG1 4.46Å; M427-V473 HydrophobicContact SD-CG1 3.76Å; V460-V473 HydrophobicContact CG1-CB 4.12Å; V460-V473 HydrophobicContact CG1-CG2 4.07Å; L464-V473 HydrophobicContact CD1-CG2 4.36Å
474	K	94.9	Very high	95.6	Very high	68 Å²	68	61.5 Å²	61.5	30%	0.296	30%	0.304	S	S	.	.			trans	-63.4	139.4	177.8	-62.5	178.8	-176	172	0	110.2	D419 D476 Y477	D419-K474 IonicContact OD1-NZ 3.68Å; D419-K474 PolarHBondContact OD1-NZ 3Å; D419-K474 IonicContact OD2-NZ 3.55Å; D419-K474 PolarHBondContact OD2-NZ 2.87Å; K474-D476 PolarHBondContact O-N 3.49Å; K474-D476 VanDerWaalsContact O-N 3.16Å; K474-Y477 HydrophobicContact CB-CD2 3.99Å; K474-Y477 HydrophobicContact CB-CE2 4.35Å; K474-Y477 HydrophobicContact CD-CE2 4.41Å; K474-Y477 PolarHBondContact O-N 3.11Å; K474-Y477 VanDerWaalsContact O-N 3.11Å
475	D	96.1	Very high	95.7	Very high	70 Å²	70	61.4 Å²	61.4	37%	0.374	31%	0.307	S	S	.	.	H	α-helix	trans	-56.9	-32.5	177.9	-78.4	-9.5	0	0	0	111.7	K457 Y477 I478 H479	K457-D475 VanDerWaalsContact CE-OD1 3.31Å; K457-D475 WeakPolarHBondContact CE-OD1 3.47Å; K457-D475 IonicContact NZ-OD1 3.59Å; K457-D475 PolarHBondContact NZ-OD1 3.15Å; K457-D475 IonicContact NZ-OD2 2.67Å; K457-D475 PolarHBondContact NZ-OD2 3.47Å; D475-Y477 PolarHBondContact O-N 3.29Å; D475-Y477 VanDerWaalsContact O-N 3.15Å; D475-I478 WeakPolarHBondContact O-CA 3.39Å; D475-I478 WeakPolarHBondContact O-CB 3.26Å; D475-I478 PolarHBondContact O-N 2.86Å; D475-H479 PolarHBondContact O-CD2 2.69Å; D475-H479 PolarHBondContact O-N 2.66Å
476	D	96.5	Very high	95.7	Very high	119 Å²	119	55 Å²	55	64%	0.636	28%	0.282	S	S	*	.	H	α-helix	trans	-51	-39.7	176.8	-62.7	-13.1	0	0	0	112.8	K474 H479 E480	K474-D476 PolarHBondContact O-N 3.49Å; K474-D476 VanDerWaalsContact O-N 3.16Å; D476-H479 PolarHBondContact O-N 3.09Å; D476-E480 WeakPolarHBondContact O-CB 3.37Å; D476-E480 PolarHBondContact O-N 3.44Å
477	Y	97.1	Very high	95.9	Very high	24 Å²	24	53.4 Å²	53.4	9%	0.094	28%	0.28	C	S	.	.	H	α-helix	trans	-69.3	-35.2	176.4	-69.7	-70.4	0	0	0	112.3	D419 V423 L424 K474 D475 E480 F481	D419-Y477 WeakPolarHBondContact CA-OH 3.47Å; D419-Y477 PolarHBondContact OD1-OH 3.16Å; V423-Y477 HydrophobicContact CB-CE2 4.43Å; V423-Y477 HydrophobicContact CG1-CD1 4.03Å; V423-Y477 HydrophobicContact CG1-CD2 4.07Å; V423-Y477 HydrophobicContact CG1-CE1 3.68Å; V423-Y477 HydrophobicContact CG1-CE2 3.73Å; V423-Y477 HydrophobicContact CG1-CG 4.21Å; V423-Y477 HydrophobicContact CG2-CD2 3.73Å; V423-Y477 HydrophobicContact CG2-CE2 4.04Å; V423-Y477 HydrophobicContact CG2-CG 4.1Å; L424-Y477 HydrophobicContact CD2-CD1 4.05Å; L424-Y477 HydrophobicContact CD2-CE1 4.02Å; K474-Y477 HydrophobicContact CB-CD2 3.99Å; K474-Y477 HydrophobicContact CB-CE2 4.35Å; K474-Y477 HydrophobicContact CD-CE2 4.41Å; K474-Y477 PolarHBondContact O-N 3.11Å; K474-Y477 VanDerWaalsContact O-N 3.11Å; D475-Y477 PolarHBondContact O-N 3.29Å; D475-Y477 VanDerWaalsContact O-N 3.15Å; Y477-E480 PolarHBondContact O-N 2.75Å; Y477-F481 WeakPolarHBondContact O-CB 3.43Å; Y477-F481 VanDerWaalsContact O-CD2 3.24Å; Y477-F481 WeakPolarHBondContact O-CD2 3.15Å; Y477-F481 PolarHBondContact O-N 2.76Å
478	I	98	Very high	96	Very high	4 Å²	4	54.2 Å²	54.2	2%	0.021	28%	0.284	C	S	.	.	H	α-helix	trans	-66.2	-45.2	176.8	-58.8	172.5	0	0	0	109.9	M427 I453 L456 K457 V460 D475 C482	M427-I478 HydrophobicContact CE-CB 4.38Å; M427-I478 HydrophobicContact CE-CG1 4.01Å; M427-I478 HydrophobicContact SD-CG1 4.11Å; I453-I478 HydrophobicContact CG2-CG2 4.33Å; L456-I478 HydrophobicContact CB-CG2 4.06Å; L456-I478 HydrophobicContact CD2-CG2 4.05Å; L456-I478 HydrophobicContact CG-CG2 4.07Å; K457-I478 HydrophobicContact CB-CD1 3.95Å; K457-I478 HydrophobicContact CB-CG2 4.31Å; K457-I478 HydrophobicContact CD-CD1 4.25Å; K457-I478 HydrophobicContact CG-CD1 3.87Å; V460-I478 HydrophobicContact CG2-CD1 4.35Å; V460-I478 HydrophobicContact CG2-CG1 4.29Å; D475-I478 WeakPolarHBondContact O-CA 3.39Å; D475-I478 WeakPolarHBondContact O-CB 3.26Å; D475-I478 PolarHBondContact O-N 2.86Å; I478-C482 PolarHBondContact O-N 3.35Å; I478-C482 VanDerWaalsContact O-N 3.17Å; I478-C482 PolarHBondContact O-SG 2.89Å
479	H	97.9	Very high	96.2	Very high	88 Å²	88	52.1 Å²	52.1	41%	0.407	27%	0.269	S	S	.	.	H	α-helix	trans	-58.8	-48	174	-77.3	-87.7	0	0	0	111.3	I453 D475 D476 C482 R483	I453-H479 WeakPolarHBondContact CD1-ND1 3.47Å; D475-H479 PolarHBondContact O-CD2 2.69Å; D475-H479 PolarHBondContact O-N 2.66Å; D476-H479 PolarHBondContact O-N 3.09Å; H479-C482 PolarHBondContact O-N 3.29Å; H479-R483 WeakPolarHBondContact O-CB 3.25Å; H479-R483 PolarHBondContact O-N 2.83Å
480	E	97.7	Very high	96.4	Very high	42 Å²	42	54.8 Å²	54.8	20%	0.196	28%	0.281	C	S	.	.	H	α-helix	trans	-67.1	-38.6	-177.3	-168.3	67.2	-173.3	0	0	112.3	D476 Y477 C482 R483 Y484 M524	D476-E480 WeakPolarHBondContact O-CB 3.37Å; D476-E480 PolarHBondContact O-N 3.44Å; Y477-E480 PolarHBondContact O-N 2.75Å; E480-C482 VanDerWaalsContact C-N 3.33Å; E480-C482 PolarHBondContact O-N 3.14Å; E480-R483 CarbonylContact O-C 3.6Å; E480-R483 WeakPolarHBondContact O-CB 3.24Å; E480-R483 PolarHBondContact O-N 3.14Å; E480-R483 VanDerWaalsContact O-N 3.13Å; E480-R483 IonicContact OE1-NH1 3.21Å; E480-R483 VanDerWaalsContact OE2-CD 3.27Å; E480-R483 WeakPolarHBondContact OE2-CD 3.35Å; E480-R483 IonicContact OE2-NH1 3.89Å; E480-R483 PolarHBondContact OE2-NH1 3.1Å; E480-Y484 HydrophobicContact CG-CD1 4.5Å; E480-Y484 HydrophobicContact CG-CE1 3.74Å; E480-Y484 HydrophobicContact CG-CE2 4.22Å; E480-Y484 VanDerWaalsContact O-CG 3.31Å; E480-Y484 PolarHBondContact O-N 2.88Å; E480-Y484 WeakPolarHBondContact OE1-CE1 3.5Å; E480-M524 HydrophobicContact CG-SD 3.94Å
481	F	98.4	Very high	96.8	Very high	1 Å²	1	52.4 Å²	52.4	0%	0.004	27%	0.272	C	S	.	.	H	α-helix	trans	-68.2	-29.7	175.8	-90.6	-107	0	0	0	113.6	Y155 V158 L424 M427 L428 V431 L456 Y477 Y484	Y155-F481 AromaticContact CD1-CD1 3.69Å; Y155-F481 HydrophobicContact CD1-CD1 3.69Å; Y155-F481 AromaticContact CD1-CE1 3.87Å; Y155-F481 HydrophobicContact CD1-CE1 3.87Å; Y155-F481 HydrophobicContact CE1-CB 4.49Å; Y155-F481 AromaticContact CE1-CD1 3.59Å; Y155-F481 HydrophobicContact CE1-CD1 3.59Å; Y155-F481 HydrophobicContact CE1-CE1 4.24Å; Y155-F481 HydrophobicContact CE1-CG 4.37Å; V158-F481 HydrophobicContact CG2-CE2 4.29Å; V158-F481 HydrophobicContact CG2-CZ 3.9Å; L424-F481 HydrophobicContact CB-CZ 4.48Å; L424-F481 HydrophobicContact CD2-CE2 3.87Å; L424-F481 HydrophobicContact CD2-CZ 4.26Å; M427-F481 HydrophobicContact CB-CD1 3.89Å; M427-F481 HydrophobicContact CB-CD2 3.81Å; M427-F481 HydrophobicContact CB-CE1 3.54Å; M427-F481 HydrophobicContact CB-CE2 3.45Å; M427-F481 VanDerWaalsContact CB-CE2 3.45Å; M427-F481 HydrophobicContact CB-CG 4Å; M427-F481 HydrophobicContact CB-CZ 3.3Å; M427-F481 HydrophobicContact CE-CB 3.76Å; M427-F481 HydrophobicContact CE-CD1 4.4Å; M427-F481 HydrophobicContact CE-CD2 4.02Å; M427-F481 HydrophobicContact CE-CG 3.8Å; M427-F481 HydrophobicContact CG-CD2 4Å; M427-F481 HydrophobicContact CG-CE2 3.84Å; M427-F481 HydrophobicContact CG-CG 4.48Å; M427-F481 HydrophobicContact CG-CZ 4.2Å; L428-F481 HydrophobicContact CD2-CE1 4.04Å; L428-F481 HydrophobicContact CG-CE1 4.15Å; V431-F481 HydrophobicContact CG2-CD1 3.75Å; V431-F481 HydrophobicContact CG2-CE1 4.47Å; L456-F481 HydrophobicContact CD2-CB 3.97Å; Y477-F481 WeakPolarHBondContact O-CB 3.43Å; Y477-F481 VanDerWaalsContact O-CD2 3.24Å; Y477-F481 WeakPolarHBondContact O-CD2 3.15Å; Y477-F481 PolarHBondContact O-N 2.76Å; F481-Y484 HydrophobicContact CD1-CD2 4.45Å; F481-Y484 HydrophobicContact CD2-CD2 4.37Å; F481-Y484 HydrophobicContact CD2-CE2 4.09Å; F481-Y484 HydrophobicContact CE2-CE2 4.21Å; F481-Y484 HydrophobicContact CG-CD2 4.24Å; F481-Y484 HydrophobicContact CG-CE2 4.4Å
482	C	98.3	Very high	97.1	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-71.1	-41.2	168.7	-64.2	0	0	0	0	110.7	G443 V449 I453 L456 I478 H479 E480 Y484 G485	G443-C482 WeakPolarHBondContact CA-O 3.48Å; V449-C482 HydrophobicContact CG1-CB 4.21Å; I453-C482 HydrophobicContact CG1-CB 3.99Å; L456-C482 VanDerWaalsContact CD2-SG 3.59Å; I478-C482 PolarHBondContact O-N 3.35Å; I478-C482 VanDerWaalsContact O-N 3.17Å; I478-C482 PolarHBondContact O-SG 2.89Å; H479-C482 PolarHBondContact O-N 3.29Å; E480-C482 VanDerWaalsContact C-N 3.33Å; E480-C482 PolarHBondContact O-N 3.14Å; C482-Y484 VanDerWaalsContact C-N 3.26Å; C482-Y484 PolarHBondContact O-N 3.4Å; C482-G485 PolarHBondContact O-N 3.01Å; C482-G485 VanDerWaalsContact O-N 3.13Å
483	R	97.9	Very high	97.5	Very high	177 Å²	177	45 Å²	45	67%	0.668	23%	0.232	S	C	*	.	H	α-helix	trans	-61.1	-34.1	177	-179.7	-170.5	173.7	-177.6	-1.1	112.7	H479 E480 G485	H479-R483 WeakPolarHBondContact O-CB 3.25Å; H479-R483 PolarHBondContact O-N 2.83Å; E480-R483 CarbonylContact O-C 3.6Å; E480-R483 WeakPolarHBondContact O-CB 3.24Å; E480-R483 PolarHBondContact O-N 3.14Å; E480-R483 VanDerWaalsContact O-N 3.13Å; E480-R483 IonicContact OE1-NH1 3.21Å; E480-R483 VanDerWaalsContact OE2-CD 3.27Å; E480-R483 WeakPolarHBondContact OE2-CD 3.35Å; E480-R483 IonicContact OE2-NH1 3.89Å; E480-R483 PolarHBondContact OE2-NH1 3.1Å; R483-G485 PolarHBondContact O-N 3.16Å
484	Y	98.1	Very high	97.7	Very high	15 Å²	15	46.1 Å²	46.1	6%	0.059	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-29.4	176.2	-68	-27.9	0	0	0	113.5	Y155 L157 V158 E480 F481 C482 A486 S487 M524	Y155-Y484 AromaticContact CD1-CD2 3.89Å; Y155-Y484 HydrophobicContact CD1-CD2 3.89Å; Y155-Y484 HydrophobicContact CE1-CD2 4.12Å; L157-Y484 HydrophobicContact CB-CE1 3.93Å; L157-Y484 HydrophobicContact CD1-CE1 4.33Å; L157-Y484 HydrophobicContact CG-CE1 4Å; V158-Y484 HydrophobicContact CG2-CE2 4.01Å; E480-Y484 HydrophobicContact CG-CD1 4.5Å; E480-Y484 HydrophobicContact CG-CE1 3.74Å; E480-Y484 HydrophobicContact CG-CE2 4.22Å; E480-Y484 VanDerWaalsContact O-CG 3.31Å; E480-Y484 PolarHBondContact O-N 2.88Å; E480-Y484 WeakPolarHBondContact OE1-CE1 3.5Å; F481-Y484 HydrophobicContact CD1-CD2 4.45Å; F481-Y484 HydrophobicContact CD2-CD2 4.37Å; F481-Y484 HydrophobicContact CD2-CE2 4.09Å; F481-Y484 HydrophobicContact CE2-CE2 4.21Å; F481-Y484 HydrophobicContact CG-CD2 4.24Å; F481-Y484 HydrophobicContact CG-CE2 4.4Å; C482-Y484 VanDerWaalsContact C-N 3.26Å; C482-Y484 PolarHBondContact O-N 3.4Å; Y484-A486 PolarHBondContact O-N 2.97Å; Y484-A486 VanDerWaalsContact O-N 3.14Å; Y484-S487 VanDerWaalsContact O-CB 3.24Å; Y484-S487 WeakPolarHBondContact O-CB 3.42Å; Y484-S487 PolarHBondContact O-N 3.27Å; Y484-S487 PolarHBondContact O-OG 2.84Å; Y484-M524 WeakPolarHBondContact OH-CE 3.24Å; Y484-M524 PolarHBondContact OH-SD 2.7Å
485	G	97.1	Very high	97.8	Very high	16 Å²	16	46.4 Å²	46.4	17%	0.165	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	30.9	177.4	0	0	0	0	0	114.4	G443 C482 R483 S487	G443-G485 VanDerWaalsContact O-CA 3.24Å; G443-G485 WeakPolarHBondContact O-CA 3.26Å; C482-G485 PolarHBondContact O-N 3.01Å; C482-G485 VanDerWaalsContact O-N 3.13Å; R483-G485 PolarHBondContact O-N 3.16Å; G485-S487 PolarHBondContact O-N 3.41Å
486	A	97	Very high	97.9	Very high	25 Å²	25	43 Å²	43	21%	0.207	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	26.5	-171.6	0	0	0	0	0	115.5	Y155 Y441 Y484	Y155-A486 HydrophobicContact CD2-CB 4.17Å; Y155-A486 VanDerWaalsContact CE2-CA 3.45Å; Y155-A486 HydrophobicContact CE2-CB 3.44Å; Y155-A486 VanDerWaalsContact CE2-CB 3.44Å; Y441-A486 VanDerWaalsContact CB-CB 3.48Å; Y441-A486 HydrophobicContact CD1-CB 4.47Å; Y441-A486 HydrophobicContact CD2-CB 3.66Å; Y441-A486 HydrophobicContact CG-CB 3.62Å; Y484-A486 PolarHBondContact O-N 2.97Å; Y484-A486 VanDerWaalsContact O-N 3.14Å
487	S	97.3	Very high	98	Very high	53 Å²	53	37.4 Å²	37.4	37%	0.371	19%	0.193	S	C	.	.			trans	-62.7	152.6	175.3	56.4	0	0	0	0	112.2	G156 Y484 G485 P489	G156-S487 PolarHBondContact N-O 3.27Å; Y484-S487 VanDerWaalsContact O-CB 3.24Å; Y484-S487 WeakPolarHBondContact O-CB 3.42Å; Y484-S487 PolarHBondContact O-N 3.27Å; Y484-S487 PolarHBondContact O-OG 2.84Å; G485-S487 PolarHBondContact O-N 3.41Å; S487-P489 VanDerWaalsContact C-CD 3.47Å; S487-P489 WeakPolarHBondContact O-CD 3.43Å
488	E	98.1	Very high	98.1	Very high	23 Å²	23	37.7 Å²	37.7	11%	0.107	20%	0.204	C	C	.	.			trans	-117.2	79.8	171.9	-175	-172	-140.3	0	0	109	T38 A39 S40 N71 T154 H490 A493	T38-E488 VanDerWaalsContact CB-OE1 3.31Å; T38-E488 WeakPolarHBondContact CB-OE1 3.41Å; T38-E488 VanDerWaalsContact CB-OE2 3.29Å; T38-E488 WeakPolarHBondContact CB-OE2 3.43Å; T38-E488 PolarHBondContact OG1-OE1 2.86Å; A39-E488 HydrophobicContact CB-CG 4.25Å; A39-E488 WeakPolarHBondContact CB-OE2 3.43Å; A39-E488 PolarHBondContact N-OE1 3.4Å; A39-E488 PolarHBondContact N-OE2 3.38Å; S40-E488 VanDerWaalsContact CB-OE1 3.29Å; S40-E488 WeakPolarHBondContact CB-OE1 3.36Å; S40-E488 PolarHBondContact N-OE1 3.07Å; S40-E488 PolarHBondContact OG-OE1 2.97Å; N71-E488 PolarHBondContact ND2-O 3.27Å; N71-E488 PolarHBondContact ND2-OE2 2.92Å; T154-E488 HydrophobicContact CG2-CB 4.5Å; T154-E488 HydrophobicContact CG2-CG 3.95Å; E488-H490 PolarHBondContact O-N 3.33Å; E488-A493 HydrophobicContact CG-CB 4.24Å
489	P	98.3	Very high	98.1	Very high	36 Å²	36	39.1 Å²	39.1	23%	0.234	21%	0.214	C	C	.	.			trans	-60	126.7	176	-23.2	34.5	0	0	0	111.1	G156 S487 T491 V492 A493	G156-P489 WeakPolarHBondContact O-CD 3.41Å; G156-P489 WeakPolarHBondContact O-CG 3.33Å; S487-P489 VanDerWaalsContact C-CD 3.47Å; S487-P489 WeakPolarHBondContact O-CD 3.43Å; P489-T491 PolarHBondContact O-N 3.08Å; P489-T491 VanDerWaalsContact O-N 3.14Å; P489-V492 HydrophobicContact CB-CG2 4.19Å; P489-V492 PolarHBondContact O-N 3.42Å; P489-A493 PolarHBondContact O-N 3.02Å
490	H	98.4	Very high	98.2	Very high	65 Å²	65	34.9 Å²	34.9	30%	0.301	20%	0.195	S	C	.	.	H	α-helix	trans	-55.2	-37.3	-174.4	-174.8	78.5	0	0	0	113.1	N71 E488 V492 A493 S494	N71-H490 PolarHBondContact O-ND1 2.72Å; E488-H490 PolarHBondContact O-N 3.33Å; H490-V492 VanDerWaalsContact C-N 3.35Å; H490-V492 PolarHBondContact O-N 2.75Å; H490-A493 CarbonylContact O-C 3.55Å; H490-A493 WeakPolarHBondContact O-CB 3.31Å; H490-A493 PolarHBondContact O-N 2.76Å; H490-S494 PolarHBondContact NE2-OG 2.67Å; H490-S494 WeakPolarHBondContact O-CB 3.47Å; H490-S494 PolarHBondContact O-N 3.28Å; H490-S494 PolarHBondContact O-OG 3.05Å; H490-S494 VanDerWaalsContact O-OG 3.12Å
491	T	98.3	Very high	98.2	Very high	109 Å²	109	33 Å²	33	67%	0.669	19%	0.186	S	C	*	.	H	α-helix	trans	-65	-37.1	180	50.4	0	0	0	0	113.1	P489 F495	P489-T491 PolarHBondContact O-N 3.08Å; P489-T491 VanDerWaalsContact O-N 3.14Å; T491-F495 PolarHBondContact O-N 3.04Å; T491-F495 VanDerWaalsContact O-N 3.08Å
492	V	98.6	Very high	98.2	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.006	20%	0.201	C	C	.	.	H	α-helix	trans	-73	-41	175.9	-174.8	0	0	0	0	109.7	T154 L157 P489 H490 S494 F495 L496 Y521 A523	T154-V492 HydrophobicContact CG2-CB 3.88Å; T154-V492 HydrophobicContact CG2-CG1 3.73Å; L157-V492 HydrophobicContact CD2-CG2 3.91Å; P489-V492 HydrophobicContact CB-CG2 4.19Å; P489-V492 PolarHBondContact O-N 3.42Å; H490-V492 VanDerWaalsContact C-N 3.35Å; H490-V492 PolarHBondContact O-N 2.75Å; V492-S494 VanDerWaalsContact C-N 3.34Å; V492-S494 PolarHBondContact O-N 3.29Å; V492-F495 PolarHBondContact O-N 3.14Å; V492-L496 WeakPolarHBondContact O-CB 3.5Å; V492-L496 PolarHBondContact O-N 2.89Å; V492-Y521 HydrophobicContact CG1-CD1 4.13Å; V492-Y521 HydrophobicContact CG1-CE1 4.15Å; V492-A523 HydrophobicContact CG2-CB 3.85Å
493	A	98.6	Very high	98.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-58.7	-42.2	172.6	0	0	0	0	0	112.5	A39 S40 E488 P489 H490 L496 G497	A39-A493 HydrophobicContact CB-CB 3.97Å; S40-A493 VanDerWaalsContact OG-CA 3.31Å; S40-A493 WeakPolarHBondContact OG-CA 3.49Å; S40-A493 WeakPolarHBondContact OG-CB 3.46Å; E488-A493 HydrophobicContact CG-CB 4.24Å; P489-A493 PolarHBondContact O-N 3.02Å; H490-A493 CarbonylContact O-C 3.55Å; H490-A493 WeakPolarHBondContact O-CB 3.31Å; H490-A493 PolarHBondContact O-N 2.76Å; A493-L496 PolarHBondContact O-N 3.12Å; A493-G497 WeakPolarHBondContact O-CA 3.29Å; A493-G497 PolarHBondContact O-N 3.28Å
494	S	98.6	Very high	98.3	Very high	32 Å²	32	28.8 Å²	28.8	22%	0.224	17%	0.174	C	C	.	.	H	α-helix	trans	-66.7	-42.6	176	-69.5	0	0	0	0	113.1	E43 H490 V492 L496 G497 G498	E43-S494 VanDerWaalsContact CD-OG 3.29Å; E43-S494 WeakPolarHBondContact OE2-CA 3.42Å; E43-S494 VanDerWaalsContact OE2-CB 3.26Å; E43-S494 WeakPolarHBondContact OE2-CB 3.34Å; E43-S494 PolarHBondContact OE2-OG 3.2Å; H490-S494 PolarHBondContact NE2-OG 2.67Å; H490-S494 WeakPolarHBondContact O-CB 3.47Å; H490-S494 PolarHBondContact O-N 3.28Å; H490-S494 PolarHBondContact O-OG 3.05Å; H490-S494 VanDerWaalsContact O-OG 3.12Å; V492-S494 VanDerWaalsContact C-N 3.34Å; V492-S494 PolarHBondContact O-N 3.29Å; S494-L496 VanDerWaalsContact C-N 3.33Å; S494-G497 PolarHBondContact O-N 3.42Å; S494-G498 PolarHBondContact O-N 2.81Å
495	F	98.7	Very high	98.3	Very high	74 Å²	74	28.4 Å²	28.4	33%	0.325	17%	0.173	S	C	.	.	H	α-helix	trans	-59.5	-47.5	174.6	177.5	-83.8	0	0	0	110.8	T491 V492 G497 S499 F519 Y521 T528	T491-F495 PolarHBondContact O-N 3.04Å; T491-F495 VanDerWaalsContact O-N 3.08Å; V492-F495 PolarHBondContact O-N 3.14Å; F495-G497 VanDerWaalsContact C-N 3.29Å; F495-G497 PolarHBondContact O-N 3.17Å; F495-S499 PolarHBondContact O-N 2.93Å; F495-S499 VanDerWaalsContact O-N 3.16Å; F495-S499 PolarHBondContact O-OG 3.45Å; F495-F519 HydrophobicContact CE1-CE1 4.21Å; F495-F519 HydrophobicContact CE1-CZ 4.13Å; F495-Y521 HydrophobicContact CB-CD1 4.41Å; F495-Y521 HydrophobicContact CB-CE1 3.94Å; F495-Y521 AromaticContact CD1-CD1 3.29Å; F495-Y521 HydrophobicContact CD1-CD1 3.29Å; F495-Y521 HydrophobicContact CD1-CD2 4.12Å; F495-Y521 AromaticContact CD1-CE1 3.55Å; F495-Y521 HydrophobicContact CD1-CE1 3.55Å; F495-Y521 HydrophobicContact CD1-CE2 4.34Å; F495-Y521 AromaticContact CD1-CG 3.6Å; F495-Y521 HydrophobicContact CD1-CG 3.6Å; F495-Y521 HydrophobicContact CD2-CE1 4.26Å; F495-Y521 HydrophobicContact CD2-CE2 4.44Å; F495-Y521 AromaticContact CE1-CD1 3.69Å; F495-Y521 HydrophobicContact CE1-CD1 3.69Å; F495-Y521 AromaticContact CE1-CD2 3.7Å; F495-Y521 HydrophobicContact CE1-CD2 3.7Å; F495-Y521 HydrophobicContact CE1-CE1 4.14Å; F495-Y521 HydrophobicContact CE1-CE2 4.16Å; F495-Y521 AromaticContact CE1-CG 3.43Å; F495-Y521 HydrophobicContact CE1-CG 3.43Å; F495-Y521 VanDerWaalsContact CE1-CG 3.43Å; F495-Y521 HydrophobicContact CE2-CE2 4.24Å; F495-Y521 AromaticContact CG-CD1 3.91Å; F495-Y521 HydrophobicContact CG-CD1 3.91Å; F495-Y521 AromaticContact CG-CE1 3.63Å; F495-Y521 HydrophobicContact CG-CE1 3.63Å; F495-Y521 HydrophobicContact CG-CE2 4.49Å; F495-Y521 HydrophobicContact CG-CG 4.43Å; F495-Y521 AromaticContact CG-CZ 3.96Å; F495-Y521 AromaticContact CZ-CD2 3.91Å; F495-Y521 HydrophobicContact CZ-CD2 3.91Å; F495-Y521 HydrophobicContact CZ-CE2 4.1Å; F495-Y521 HydrophobicContact CZ-CG 4.14Å; F495-T528 HydrophobicContact CE1-CG2 4.38Å; F495-T528 HydrophobicContact CZ-CG2 4.04Å
496	L	98.2	Very high	98.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-62.8	-40.3	176.2	-162.3	69.6	0	0	0	110.8	C152 R153 T154 M161 V492 A493 S494 G498 S499 A500	C152-L496 HydrophobicContact CB-CD2 4Å; R153-L496 WeakPolarHBondContact O-CD2 3.48Å; T154-L496 WeakPolarHBondContact OG1-CD2 3.29Å; M161-L496 HydrophobicContact CE-CD1 4.49Å; M161-L496 HydrophobicContact CG-CD1 3.3Å; M161-L496 HydrophobicContact CG-CG 4.11Å; M161-L496 HydrophobicContact SD-CD1 3.87Å; M161-L496 HydrophobicContact SD-CG 4.45Å; V492-L496 WeakPolarHBondContact O-CB 3.5Å; V492-L496 PolarHBondContact O-N 2.89Å; A493-L496 PolarHBondContact O-N 3.12Å; S494-L496 VanDerWaalsContact C-N 3.33Å; L496-G498 PolarHBondContact O-N 2.78Å; L496-S499 PolarHBondContact O-N 3.48Å; L496-A500 WeakPolarHBondContact O-CB 3.48Å; L496-A500 PolarHBondContact O-N 3.25Å
497	G	98.6	Very high	98.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-58.5	-47.1	179.2	0	0	0	0	0	113.4	A493 S494 F495 A501	A493-G497 WeakPolarHBondContact O-CA 3.29Å; A493-G497 PolarHBondContact O-N 3.28Å; S494-G497 PolarHBondContact O-N 3.42Å; F495-G497 VanDerWaalsContact C-N 3.29Å; F495-G497 PolarHBondContact O-N 3.17Å; G497-A501 WeakPolarHBondContact O-CB 3.39Å; G497-A501 PolarHBondContact O-N 3.14Å; G497-A501 VanDerWaalsContact O-N 3.09Å
498	G	98.6	Very high	98.5	Very high	31 Å²	31	26.1 Å²	26.1	32%	0.32	15%	0.148	S	C	.	.	H	α-helix	trans	-65.1	-44.6	175	0	0	0	0	0	112.4	S494 L496 Q502	S494-G498 PolarHBondContact O-N 2.81Å; L496-G498 PolarHBondContact O-N 2.78Å; G498-Q502 PolarHBondContact O-N 3.32Å; G498-Q502 VanDerWaalsContact O-N 3.15Å
499	S	98.6	Very high	98.5	Very high	33 Å²	33	25.5 Å²	25.5	23%	0.231	15%	0.145	C	C	.	.	H	α-helix	trans	-65.8	-50.1	-178.2	-54.3	0	0	0	0	111.9	F495 L496 A501 Q502 E503	F495-S499 PolarHBondContact O-N 2.93Å; F495-S499 VanDerWaalsContact O-N 3.16Å; F495-S499 PolarHBondContact O-OG 3.45Å; L496-S499 PolarHBondContact O-N 3.48Å; S499-A501 PolarHBondContact O-N 3.13Å; S499-Q502 PolarHBondContact O-N 2.9Å; S499-E503 WeakPolarHBondContact O-CG 2.98Å; S499-E503 PolarHBondContact O-N 3.34Å; S499-E503 VanDerWaalsContact O-N 3.1Å
500	A	98.8	Very high	98.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-65.2	-39.1	180	0	0	0	0	0	112.7	I44 L150 M161 L496 Q502 E503 A504	I44-A500 HydrophobicContact CD1-CB 3.85Å; I44-A500 HydrophobicContact CG1-CB 3.84Å; I44-A500 HydrophobicContact CG2-CB 4.5Å; L150-A500 HydrophobicContact CD2-CB 3.94Å; M161-A500 WeakPolarHBondContact SD-CA 3.49Å; M161-A500 HydrophobicContact SD-CB 3.51Å; M161-A500 VanDerWaalsContact SD-CB 3.51Å; M161-A500 PolarHBondContact SD-N 2.71Å; L496-A500 WeakPolarHBondContact O-CB 3.48Å; L496-A500 PolarHBondContact O-N 3.25Å; A500-Q502 VanDerWaalsContact C-N 3.32Å; A500-Q502 PolarHBondContact O-N 2.85Å; A500-E503 PolarHBondContact O-N 2.68Å; A500-A504 WeakPolarHBondContact O-CB 3.39Å; A500-A504 PolarHBondContact O-N 3.15Å
501	A	98.8	Very high	98.3	Very high	2 Å²	2	27.8 Å²	27.8	2%	0.017	15%	0.147	C	C	.	.	H	α-helix	trans	-63.8	-40	176.2	0	0	0	0	0	111.6	I44 N47 L48 G497 S499 E503 A504 I505	I44-A501 HydrophobicContact CG2-CB 4.41Å; N47-A501 HydrophobicContact CB-CB 3.34Å; L48-A501 HydrophobicContact CD2-CB 4.13Å; L48-A501 HydrophobicContact CG-CB 4.13Å; G497-A501 WeakPolarHBondContact O-CB 3.39Å; G497-A501 PolarHBondContact O-N 3.14Å; G497-A501 VanDerWaalsContact O-N 3.09Å; S499-A501 PolarHBondContact O-N 3.13Å; A501-E503 PolarHBondContact O-N 3.3Å; A501-A504 WeakPolarHBondContact O-CB 3.26Å; A501-A504 PolarHBondContact O-N 3.34Å; A501-I505 WeakPolarHBondContact O-CG1 3.43Å; A501-I505 PolarHBondContact O-N 3.17Å
502	Q	98.4	Very high	98.2	Very high	69 Å²	69	25.1 Å²	25.1	32%	0.322	13%	0.126	S	C	.	.	H	α-helix	trans	-64.3	-41.8	175.6	-172.9	60.4	19.9	0	0	111.5	G498 S499 A500 A504 I505 K506	G498-Q502 PolarHBondContact O-N 3.32Å; G498-Q502 VanDerWaalsContact O-N 3.15Å; S499-Q502 PolarHBondContact O-N 2.9Å; A500-Q502 VanDerWaalsContact C-N 3.32Å; A500-Q502 PolarHBondContact O-N 2.85Å; Q502-A504 VanDerWaalsContact C-N 3.32Å; Q502-A504 PolarHBondContact O-N 3.31Å; Q502-I505 PolarHBondContact O-N 3.43Å; Q502-K506 WeakPolarHBondContact O-CG 3.39Å; Q502-K506 PolarHBondContact O-N 2.92Å
503	E	98.6	Very high	98.2	Very high	21 Å²	21	27.8 Å²	27.8	10%	0.098	14%	0.142	C	C	.	.	H	α-helix	trans	-63	-39.1	175.1	-64	-60.1	130.5	0	0	112	S499 A500 A501 I505 K506 I507 P514 F515	S499-E503 WeakPolarHBondContact O-CG 2.98Å; S499-E503 PolarHBondContact O-N 3.34Å; S499-E503 VanDerWaalsContact O-N 3.1Å; A500-E503 PolarHBondContact O-N 2.68Å; A501-E503 PolarHBondContact O-N 3.3Å; E503-I505 PolarHBondContact O-N 2.79Å; E503-K506 WeakPolarHBondContact O-CB 3.37Å; E503-K506 PolarHBondContact O-N 2.98Å; E503-K506 WeakPolarHBondContact OE1-CE 3.5Å; E503-K506 IonicContact OE1-NZ 3.33Å; E503-K506 PolarHBondContact OE1-NZ 3.48Å; E503-K506 IonicContact OE2-NZ 3.01Å; E503-I507 WeakPolarHBondContact O-CG1 3.24Å; E503-I507 PolarHBondContact O-N 3.19Å; E503-P514 WeakPolarHBondContact OE2-CA 3.39Å; E503-P514 WeakPolarHBondContact OE2-CB 3.24Å; E503-F515 HydrophobicContact CB-CD1 4.45Å; E503-F515 HydrophobicContact CB-CE1 4.2Å; E503-F515 HydrophobicContact CG-CD1 3.63Å; E503-F515 HydrophobicContact CG-CE1 3.71Å; E503-F515 VanDerWaalsContact OE2-CD1 3.28Å; E503-F515 WeakPolarHBondContact OE2-CD1 3.27Å; E503-F515 PolarHBondContact OE2-N 2.64Å
504	A	98.7	Very high	98.1	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-60.1	-43.6	171.9	0	0	0	0	0	112.3	L48 L124 I126 A500 A501 Q502 K506 I507 I508	L48-A504 HydrophobicContact CD1-CB 4.29Å; L48-A504 HydrophobicContact CD2-CB 4.02Å; L124-A504 HydrophobicContact CD2-CB 3.31Å; I126-A504 HydrophobicContact CD1-CB 4.18Å; A500-A504 WeakPolarHBondContact O-CB 3.39Å; A500-A504 PolarHBondContact O-N 3.15Å; A501-A504 WeakPolarHBondContact O-CB 3.26Å; A501-A504 PolarHBondContact O-N 3.34Å; Q502-A504 VanDerWaalsContact C-N 3.32Å; Q502-A504 PolarHBondContact O-N 3.31Å; A504-K506 VanDerWaalsContact C-N 3.33Å; A504-K506 PolarHBondContact O-N 2.88Å; A504-I507 PolarHBondContact O-N 3.28Å; A504-I508 WeakPolarHBondContact O-CD1 3.38Å; A504-I508 VanDerWaalsContact O-CG1 3.26Å; A504-I508 WeakPolarHBondContact O-CG1 3.4Å; A504-I508 PolarHBondContact O-N 3.47Å
505	I	98.7	Very high	98.1	Very high	7 Å²	7	27.6 Å²	27.6	4%	0.036	14%	0.137	C	C	.	.	H	α-helix	trans	-62	-40	176	-68.8	164.9	0	0	0	111	W19 L27 L48 P51 A501 Q502 E503 I507 I508 T509	W19-I505 HydrophobicContact CE3-CG2 3.99Å; W19-I505 HydrophobicContact CH2-CD1 4.01Å; W19-I505 HydrophobicContact CH2-CG2 4.12Å; W19-I505 HydrophobicContact CZ3-CD1 4.31Å; W19-I505 HydrophobicContact CZ3-CG2 3.74Å; L27-I505 HydrophobicContact CD1-CG1 4.24Å; L48-I505 HydrophobicContact CD2-CD1 4.3Å; L48-I505 HydrophobicContact CD2-CG1 3.8Å; P51-I505 HydrophobicContact CG-CD1 4.2Å; A501-I505 WeakPolarHBondContact O-CG1 3.43Å; A501-I505 PolarHBondContact O-N 3.17Å; Q502-I505 PolarHBondContact O-N 3.43Å; E503-I505 PolarHBondContact O-N 2.79Å; I505-I507 VanDerWaalsContact C-N 3.33Å; I505-I507 PolarHBondContact O-N 3.29Å; I505-I508 PolarHBondContact O-N 2.95Å; I505-T509 HydrophobicContact CG2-CG2 3.99Å; I505-T509 WeakPolarHBondContact O-CB 3.42Å; I505-T509 WeakPolarHBondContact O-CG2 3.42Å; I505-T509 PolarHBondContact O-N 2.92Å; I505-T509 PolarHBondContact O-OG1 3.13Å
506	K	98.6	Very high	97.9	Very high	33 Å²	33	26 Å²	26	14%	0.143	13%	0.133	C	C	.	.	H	α-helix	trans	-60.7	-44	175.1	-63.8	179.4	-176.5	172.6	0	111.6	Q502 E503 A504 R510 Q511 F512 V513 P514	Q502-K506 WeakPolarHBondContact O-CG 3.39Å; Q502-K506 PolarHBondContact O-N 2.92Å; E503-K506 WeakPolarHBondContact O-CB 3.37Å; E503-K506 PolarHBondContact O-N 2.98Å; E503-K506 WeakPolarHBondContact OE1-CE 3.5Å; E503-K506 IonicContact OE1-NZ 3.33Å; E503-K506 PolarHBondContact OE1-NZ 3.48Å; E503-K506 IonicContact OE2-NZ 3.01Å; A504-K506 VanDerWaalsContact C-N 3.33Å; A504-K506 PolarHBondContact O-N 2.88Å; K506-R510 VanDerWaalsContact O-CA 3.27Å; K506-R510 WeakPolarHBondContact O-CA 3.25Å; K506-R510 PolarHBondContact O-N 2.97Å; K506-Q511 WeakPolarHBondContact CA-O 3.45Å; K506-Q511 WeakPolarHBondContact CB-O 3.18Å; K506-F512 HydrophobicContact CD-CB 4.03Å; K506-F512 HydrophobicContact CG-CB 4Å; K506-V513 WeakPolarHBondContact CD-O 3.48Å; K506-V513 PolarHBondContact NZ-O 3.34Å; K506-P514 HydrophobicContact CB-CB 4.45Å; K506-P514 HydrophobicContact CD-CB 4.39Å
507	I	98.3	Very high	97.7	Very high	9 Å²	9	26.1 Å²	26.1	5%	0.046	13%	0.133	C	C	.	.	H	α-helix	trans	-63.7	-43.1	177.9	-64.8	-60	0	0	0	111.8	P148 L163 H168 E503 A504 I505 P514	P148-I507 HydrophobicContact CB-CG2 3.83Å; P148-I507 HydrophobicContact CG-CG2 3.86Å; L163-I507 HydrophobicContact CD1-CD1 4.04Å; L163-I507 HydrophobicContact CD1-CG1 4.07Å; L163-I507 HydrophobicContact CD2-CD1 4.1Å; H168-I507 PolarHBondContact CE1-O 2.93Å; E503-I507 WeakPolarHBondContact O-CG1 3.24Å; E503-I507 PolarHBondContact O-N 3.19Å; A504-I507 PolarHBondContact O-N 3.28Å; I505-I507 VanDerWaalsContact C-N 3.33Å; I505-I507 PolarHBondContact O-N 3.29Å; I507-P514 HydrophobicContact CD1-CB 4.16Å; I507-P514 HydrophobicContact CD1-CG 4.02Å
508	I	98.3	Very high	97.7	Very high	4 Å²	4	26.1 Å²	26.1	2%	0.021	13%	0.133	C	C	.	.	H	α-helix	trans	-67.2	-54.4	-179.4	-69.8	163.4	0	0	0	110.7	E26 L27 A30 V32 I53 T123 A504 I505 R510	E26-I508 WeakPolarHBondContact O-CG2 3.39Å; L27-I508 HydrophobicContact CD1-CD1 4.13Å; L27-I508 HydrophobicContact CD1-CG2 4.17Å; A30-I508 HydrophobicContact CB-CB 4.45Å; A30-I508 HydrophobicContact CB-CD1 4.06Å; A30-I508 HydrophobicContact CB-CG1 4.08Å; A30-I508 HydrophobicContact CB-CG2 3.52Å; V32-I508 HydrophobicContact CG2-CD1 3.95Å; I53-I508 HydrophobicContact CD1-CD1 3.99Å; T123-I508 HydrophobicContact CG2-CG1 4.15Å; A504-I508 WeakPolarHBondContact O-CD1 3.38Å; A504-I508 VanDerWaalsContact O-CG1 3.26Å; A504-I508 WeakPolarHBondContact O-CG1 3.4Å; A504-I508 PolarHBondContact O-N 3.47Å; I505-I508 PolarHBondContact O-N 2.95Å; I508-R510 VanDerWaalsContact C-N 3.31Å; I508-R510 PolarHBondContact O-N 3.41Å
509	T	97.3	Very high	97.7	Very high	9 Å²	9	25.8 Å²	25.8	6%	0.055	12%	0.123	C	C	.	.	H	α-helix	trans	-77.9	-16.3	-173.7	61.4	0	0	0	0	113.5	G23 I505 Q511	G23-T509 VanDerWaalsContact O-CG2 3.31Å; G23-T509 WeakPolarHBondContact O-CG2 3.45Å; I505-T509 HydrophobicContact CG2-CG2 3.99Å; I505-T509 WeakPolarHBondContact O-CB 3.42Å; I505-T509 WeakPolarHBondContact O-CG2 3.42Å; I505-T509 PolarHBondContact O-N 2.92Å; I505-T509 PolarHBondContact O-OG1 3.13Å; T509-Q511 PolarHBondContact O-N 3.47Å; T509-Q511 PolarHBondContact OG1-N 3.28Å
510	R	96.4	Very high	97.7	Very high	149 Å²	149	24.2 Å²	24.2	56%	0.562	11%	0.112	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.7	28.8	-171.4	-51	-179.4	179.5	-170.1	-0.1	112.9	K506 I508	K506-R510 VanDerWaalsContact O-CA 3.27Å; K506-R510 WeakPolarHBondContact O-CA 3.25Å; K506-R510 PolarHBondContact O-N 2.97Å; I508-R510 VanDerWaalsContact C-N 3.31Å; I508-R510 PolarHBondContact O-N 3.41Å
511	Q	96.3	Very high	97.7	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.005	12%	0.115	C	C	.	.	B	Isolated β-bridge	trans	-113.7	152.2	174.6	-58.9	-173.1	31.3	0	0	110.4	W19 H22 E172 H174 K506 T509	W19-Q511 VanDerWaalsContact CA-OE1 3.26Å; W19-Q511 PolarHBondContact O-NE2 3.21Å; W19-Q511 PolarHBondContact O-OE1 3.26Å; H22-Q511 PolarHBondContact CD2-NE2 3.22Å; H22-Q511 PolarHBondContact NE2-NE2 3Å; E172-Q511 HydrophobicContact CB-CG 4.18Å; E172-Q511 WeakPolarHBondContact O-CA 3.29Å; H174-Q511 PolarHBondContact NE2-OE1 2.8Å; K506-Q511 WeakPolarHBondContact CA-O 3.45Å; K506-Q511 WeakPolarHBondContact CB-O 3.18Å; T509-Q511 PolarHBondContact O-N 3.47Å; T509-Q511 PolarHBondContact OG1-N 3.28Å
512	F	97.3	Very high	97.6	Very high	52 Å²	52	25.1 Å²	25.1	23%	0.228	12%	0.116	C	C	.	.	S	Bend	trans	58.4	167.1	-169.7	-51.7	-95	0	0	0	112.6	V170 E172 H174 K506	V170-F512 WeakPolarHBondContact CG1-O 3.09Å; V170-F512 WeakPolarHBondContact CG2-O 3.37Å; E172-F512 PolarHBondContact O-N 2.82Å; H174-F512 HydrophobicContact CB-CD1 3.57Å; H174-F512 HydrophobicContact CB-CE1 3.35Å; H174-F512 HydrophobicContact CB-CG 4.34Å; H174-F512 HydrophobicContact CB-CZ 3.96Å; H174-F512 AromaticContact CD2-CD1 3.98Å; H174-F512 AromaticContact CD2-CD2 3.79Å; H174-F512 AromaticContact CD2-CE1 3.73Å; H174-F512 AromaticContact CD2-CE2 3.5Å; H174-F512 VanDerWaalsContact CD2-CE2 3.5Å; H174-F512 WeakPolarHBondContact CD2-CE2 3.37Å; H174-F512 AromaticContact CD2-CG 4Å; H174-F512 AromaticContact CD2-CZ 3.46Å; H174-F512 VanDerWaalsContact CD2-CZ 3.46Å; H174-F512 WeakPolarHBondContact CD2-CZ 3.34Å; H174-F512 AromaticContact CG-CE1 3.71Å; H174-F512 AromaticContact CG-CZ 3.77Å; K506-F512 HydrophobicContact CD-CB 4.03Å; K506-F512 HydrophobicContact CG-CB 4Å
513	V	97.6	Very high	97.6	Very high	57 Å²	57	22.4 Å²	22.4	35%	0.345	11%	0.105	S	C	.	.	P	Polyproline II helix	trans	-96	121.3	-178.6	-169	0	0	0	0	109.3	R390 V392 K506	R390-V513 HydrophobicContact CB-CG2 4.26Å; R390-V513 HydrophobicContact CG-CG2 3.78Å; V392-V513 HydrophobicContact CG2-CG1 3.95Å; K506-V513 WeakPolarHBondContact CD-O 3.48Å; K506-V513 PolarHBondContact NZ-O 3.34Å
514	P	97.6	Very high	97.5	Very high	5 Å²	5	25 Å²	25	3%	0.032	12%	0.118	C	C	.	.	P	Polyproline II helix	trans	-72.1	156.8	172	30.7	-34.6	0	0	0	110.9	L163 V392 E503 K506 I507	L163-P514 HydrophobicContact CD2-CB 3.77Å; L163-P514 HydrophobicContact CD2-CG 4.19Å; V392-P514 HydrophobicContact CB-CG 4.42Å; V392-P514 HydrophobicContact CG2-CG 4.11Å; E503-P514 WeakPolarHBondContact OE2-CA 3.39Å; E503-P514 WeakPolarHBondContact OE2-CB 3.24Å; K506-P514 HydrophobicContact CB-CB 4.45Å; K506-P514 HydrophobicContact CD-CB 4.39Å; I507-P514 HydrophobicContact CD1-CB 4.16Å; I507-P514 HydrophobicContact CD1-CG 4.02Å
515	F	97.4	Very high	97.3	Very high	23 Å²	23	27.9 Å²	27.9	10%	0.101	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-63.1	145.3	174.5	74.1	-84.9	0	0	0	110.5	L150 M161 L163 E503 N517 F519 T530	L150-F515 HydrophobicContact CD1-CE1 4.28Å; L150-F515 HydrophobicContact CD1-CZ 4.17Å; M161-F515 HydrophobicContact CB-CE1 4.36Å; M161-F515 HydrophobicContact CB-CZ 3.81Å; M161-F515 HydrophobicContact CE-CE1 4.44Å; L163-F515 HydrophobicContact CB-CE1 4.1Å; L163-F515 HydrophobicContact CB-CE2 4.04Å; L163-F515 HydrophobicContact CB-CZ 3.7Å; L163-F515 WeakPolarHBondContact CD2-O 3.48Å; E503-F515 HydrophobicContact CB-CD1 4.45Å; E503-F515 HydrophobicContact CB-CE1 4.2Å; E503-F515 HydrophobicContact CG-CD1 3.63Å; E503-F515 HydrophobicContact CG-CE1 3.71Å; E503-F515 VanDerWaalsContact OE2-CD1 3.28Å; E503-F515 WeakPolarHBondContact OE2-CD1 3.27Å; E503-F515 PolarHBondContact OE2-N 2.64Å; F515-N517 WeakPolarHBondContact CE2-O 3.39Å; F515-N517 PolarHBondContact O-N 3.38Å; F515-F519 HydrophobicContact CD2-CB 3.96Å; F515-F519 HydrophobicContact CE2-CB 3.82Å; F515-F519 HydrophobicContact CG-CB 4.38Å; F515-F519 HydrophobicContact CZ-CB 4.18Å; F515-T530 HydrophobicContact CB-CG2 4.1Å; F515-T530 HydrophobicContact CD2-CG2 4.19Å
516	N	94.6	Very high	97.2	Very high	42 Å²	42	33.8 Å²	33.8	23%	0.225	17%	0.166	C	C	.	.			trans	-89.5	112.3	177.3	-169.2	-3.1	0	0	0	109.7	V392 R393 C394 T518 Q532	V392-N516 HydrophobicContact CG1-CB 4.21Å; R393-N516 PolarHBondContact O-OD1 3.21Å; C394-N516 PolarHBondContact SG-OD1 3.26Å; C394-N516 VanDerWaalsContact SG-OD1 3.33Å; N516-T518 PolarHBondContact O-N 3.14Å; N516-Q532 HydrophobicContact CB-CG 4.41Å; N516-Q532 PolarHBondContact ND2-NE2 2.58Å
517	N	95	Very high	97.2	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.011	17%	0.174	C	C	.	.	S	Bend	trans	85	-92.1	166.5	-168.8	-52.9	0	0	0	115.2	R162 L163 F515 F531 Q532 L533	R162-N517 CarbonylContact C-O 3.58Å; R162-N517 WeakPolarHBondContact CA-O 3.13Å; R162-N517 VanDerWaalsContact CD-O 3.31Å; R162-N517 WeakPolarHBondContact CD-O 3.42Å; R162-N517 PolarHBondContact NE-OD1 3.21Å; R162-N517 PolarHBondContact NH1-O 3.33Å; R162-N517 VanDerWaalsContact NH1-O 3.12Å; R162-N517 PolarHBondContact NH2-ND2 2.96Å; R162-N517 PolarHBondContact NH2-OD1 3.42Å; L163-N517 PolarHBondContact N-O 3.3Å; F515-N517 WeakPolarHBondContact CE2-O 3.39Å; F515-N517 PolarHBondContact O-N 3.38Å; N517-F531 WeakPolarHBondContact CB-O 3.28Å; N517-Q532 HydrophobicContact CB-CG 4.5Å; N517-L533 VanDerWaalsContact CG-N 3.34Å; N517-L533 PolarHBondContact ND2-N 3.47Å; N517-L533 PolarHBondContact ND2-O 3.1Å; N517-L533 PolarHBondContact OD1-N 3.21Å
518	T	98.3	Very high	97.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	135.6	-171.4	-59.4	0	0	0	0	112.1	Y160 M161 R162 N516 I520 T530 F531 L533	Y160-T518 HydrophobicContact CD2-CG2 4.21Å; Y160-T518 HydrophobicContact CE2-CG2 3.78Å; M161-T518 CarbonylContact O-C 3.56Å; M161-T518 WeakPolarHBondContact O-CA 3.49Å; R162-T518 WeakPolarHBondContact CD-OG1 3.44Å; R162-T518 PolarHBondContact NE-OG1 3.2Å; N516-T518 PolarHBondContact O-N 3.14Å; T518-I520 HydrophobicContact CG2-CD1 4.05Å; T518-I520 HydrophobicContact CG2-CG1 4.31Å; T518-T530 CarbonylContact O-C 3.55Å; T518-T530 WeakPolarHBondContact O-CA 3.27Å; T518-T530 WeakPolarHBondContact O-CG2 3.2Å; T518-F531 PolarHBondContact N-O 3.22Å; T518-F531 PolarHBondContact O-N 3.22Å; T518-L533 HydrophobicContact CG2-CD1 3.88Å
519	F	98.6	Very high	97	Very high	24 Å²	24	38.4 Å²	38.4	11%	0.105	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	133.2	173	171	-85.4	0	0	0	110.2	M161 F495 F515 T528 A529	M161-F519 HydrophobicContact CB-CB 4.25Å; M161-F519 HydrophobicContact CB-CD1 4.48Å; M161-F519 HydrophobicContact CE-CB 4.08Å; M161-F519 HydrophobicContact CE-CD1 3.22Å; M161-F519 HydrophobicContact CE-CD2 4.42Å; M161-F519 HydrophobicContact CE-CE1 3.62Å; M161-F519 HydrophobicContact CE-CG 3.67Å; M161-F519 HydrophobicContact CE-CZ 4.36Å; M161-F519 HydrophobicContact CG-CD1 4.26Å; M161-F519 PolarHBondContact N-O 2.91Å; M161-F519 PolarHBondContact O-N 3.33Å; F495-F519 HydrophobicContact CE1-CE1 4.21Å; F495-F519 HydrophobicContact CE1-CZ 4.13Å; F515-F519 HydrophobicContact CD2-CB 3.96Å; F515-F519 HydrophobicContact CE2-CB 3.82Å; F515-F519 HydrophobicContact CG-CB 4.38Å; F515-F519 HydrophobicContact CZ-CB 4.18Å; F519-T528 HydrophobicContact CE1-CG2 4.43Å; F519-T528 HydrophobicContact CE2-CG2 3.99Å; F519-T528 HydrophobicContact CZ-CG2 3.51Å; F519-A529 WeakPolarHBondContact CA-O 3.29Å
520	I	98.6	Very high	97.1	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	132.6	177	-55.9	-63.9	0	0	0	109.1	V158 G159 Y160 E421 L424 T518 T528 A529 F531	V158-I520 HydrophobicContact CG1-CG2 4.41Å; G159-I520 CarbonylContact O-C 3.59Å; G159-I520 WeakPolarHBondContact O-CA 3.37Å; Y160-I520 HydrophobicContact CD2-CD1 3.59Å; Y160-I520 HydrophobicContact CE2-CD1 4.4Å; Y160-I520 HydrophobicContact CG-CD1 4.48Å; E421-I520 HydrophobicContact CB-CB 4.13Å; E421-I520 HydrophobicContact CB-CG2 3.91Å; E421-I520 HydrophobicContact CG-CG2 4.43Å; L424-I520 HydrophobicContact CB-CG2 4.03Å; L424-I520 HydrophobicContact CD1-CG2 3.89Å; T518-I520 HydrophobicContact CG2-CD1 4.05Å; T518-I520 HydrophobicContact CG2-CG1 4.31Å; I520-T528 CarbonylContact O-C 3.49Å; I520-T528 WeakPolarHBondContact O-CA 3.36Å; I520-A529 PolarHBondContact N-O 3.13Å; I520-A529 PolarHBondContact O-N 3.43Å; I520-F531 HydrophobicContact CB-CE2 4.27Å; I520-F531 HydrophobicContact CG1-CD2 4.03Å; I520-F531 HydrophobicContact CG1-CE2 3.83Å
521	Y	98.5	Very high	97.1	Very high	14 Å²	14	35.5 Å²	35.5	6%	0.055	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	125.1	169.5	169.2	-129.2	0	0	0	109.9	V158 G159 V492 F495 A523 Q526 T527 T528	V158-Y521 WeakPolarHBondContact CA-O 3.45Å; G159-Y521 PolarHBondContact N-O 3.24Å; G159-Y521 PolarHBondContact O-N 3.1Å; V492-Y521 HydrophobicContact CG1-CD1 4.13Å; V492-Y521 HydrophobicContact CG1-CE1 4.15Å; F495-Y521 HydrophobicContact CB-CD1 4.41Å; F495-Y521 HydrophobicContact CB-CE1 3.94Å; F495-Y521 AromaticContact CD1-CD1 3.29Å; F495-Y521 HydrophobicContact CD1-CD1 3.29Å; F495-Y521 HydrophobicContact CD1-CD2 4.12Å; F495-Y521 AromaticContact CD1-CE1 3.55Å; F495-Y521 HydrophobicContact CD1-CE1 3.55Å; F495-Y521 HydrophobicContact CD1-CE2 4.34Å; F495-Y521 AromaticContact CD1-CG 3.6Å; F495-Y521 HydrophobicContact CD1-CG 3.6Å; F495-Y521 HydrophobicContact CD2-CE1 4.26Å; F495-Y521 HydrophobicContact CD2-CE2 4.44Å; F495-Y521 AromaticContact CE1-CD1 3.69Å; F495-Y521 HydrophobicContact CE1-CD1 3.69Å; F495-Y521 AromaticContact CE1-CD2 3.7Å; F495-Y521 HydrophobicContact CE1-CD2 3.7Å; F495-Y521 HydrophobicContact CE1-CE1 4.14Å; F495-Y521 HydrophobicContact CE1-CE2 4.16Å; F495-Y521 AromaticContact CE1-CG 3.43Å; F495-Y521 HydrophobicContact CE1-CG 3.43Å; F495-Y521 VanDerWaalsContact CE1-CG 3.43Å; F495-Y521 HydrophobicContact CE2-CE2 4.24Å; F495-Y521 AromaticContact CG-CD1 3.91Å; F495-Y521 HydrophobicContact CG-CD1 3.91Å; F495-Y521 AromaticContact CG-CE1 3.63Å; F495-Y521 HydrophobicContact CG-CE1 3.63Å; F495-Y521 HydrophobicContact CG-CE2 4.49Å; F495-Y521 HydrophobicContact CG-CG 4.43Å; F495-Y521 AromaticContact CG-CZ 3.96Å; F495-Y521 AromaticContact CZ-CD2 3.91Å; F495-Y521 HydrophobicContact CZ-CD2 3.91Å; F495-Y521 HydrophobicContact CZ-CE2 4.1Å; F495-Y521 HydrophobicContact CZ-CG 4.14Å; Y521-A523 HydrophobicContact CD1-CB 4.31Å; Y521-A523 HydrophobicContact CE1-CB 3.52Å; Y521-A523 HydrophobicContact CE2-CB 4.34Å; Y521-A523 WeakPolarHBondContact OH-CB 3.24Å; Y521-Q526 PolarHBondContact OH-NE2 3.36Å; Y521-Q526 PolarHBondContact OH-OE1 3.49Å; Y521-T527 WeakPolarHBondContact CD2-O 3.42Å; Y521-T528 HydrophobicContact CD2-CG2 3.69Å; Y521-T528 HydrophobicContact CG-CG2 4.37Å
522	N	97.8	Very high	97	Very high	7 Å²	7	41 Å²	41	4%	0.037	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	101.1	171.7	-173.4	-10.5	0	0	0	109.5	E421 L424 M524 S525 Q526 T527	E421-N522 HydrophobicContact CG-CB 4.35Å; L424-N522 HydrophobicContact CD1-CB 3.59Å; N522-M524 PolarHBondContact O-N 3.46Å; N522-M524 VanDerWaalsContact OD1-CB 3.26Å; N522-M524 WeakPolarHBondContact OD1-CB 3.5Å; N522-M524 WeakPolarHBondContact OD1-CE 3.32Å; N522-M524 PolarHBondContact OD1-N 3.02Å; N522-S525 WeakPolarHBondContact CB-OG 3.38Å; N522-S525 PolarHBondContact ND2-OG 3.04Å; N522-Q526 VanDerWaalsContact O-CA 3.26Å; N522-Q526 WeakPolarHBondContact O-CA 3.49Å; N522-Q526 PolarHBondContact O-N 3.02Å; N522-T527 PolarHBondContact N-O 3.35Å; N522-T527 PolarHBondContact O-N 3.5Å; N522-T527 VanDerWaalsContact O-N 3.15Å
523	A	97.5	Very high	96.8	Very high	11 Å²	11	38.6 Å²	38.6	9%	0.091	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-15	179.1	0	0	0	0	0	113.1	L157 V492 Y521 Q526	L157-A523 HydrophobicContact CB-CB 4.03Å; L157-A523 HydrophobicContact CD2-CB 4.24Å; L157-A523 VanDerWaalsContact O-CB 3.25Å; L157-A523 WeakPolarHBondContact O-CB 3.49Å; L157-A523 PolarHBondContact O-N 3.2Å; V492-A523 HydrophobicContact CG2-CB 3.85Å; Y521-A523 HydrophobicContact CD1-CB 4.31Å; Y521-A523 HydrophobicContact CE1-CB 3.52Å; Y521-A523 HydrophobicContact CE2-CB 4.34Å; Y521-A523 WeakPolarHBondContact OH-CB 3.24Å; A523-Q526 PolarHBondContact O-NE2 3.46Å
524	M	95.6	Very high	96.7	Very high	75 Å²	75	37.7 Å²	37.7	37%	0.369	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-44	174.8	-59.3	179.5	-79.9	0	0	111.3	L157 L424 E480 Y484 N522	L157-M524 HydrophobicContact CB-CG 3.77Å; L157-M524 HydrophobicContact CD1-CG 3.68Å; L157-M524 HydrophobicContact CG-CG 4.4Å; L424-M524 HydrophobicContact CD2-CE 4.34Å; E480-M524 HydrophobicContact CG-SD 3.94Å; Y484-M524 WeakPolarHBondContact OH-CE 3.24Å; Y484-M524 PolarHBondContact OH-SD 2.7Å; N522-M524 PolarHBondContact O-N 3.46Å; N522-M524 VanDerWaalsContact OD1-CB 3.26Å; N522-M524 WeakPolarHBondContact OD1-CB 3.5Å; N522-M524 WeakPolarHBondContact OD1-CE 3.32Å; N522-M524 PolarHBondContact OD1-N 3.02Å
525	S	95.8	Very high	96.7	Very high	62 Å²	62	39.4 Å²	39.4	43%	0.434	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-6.3	-179.5	51	0	0	0	0	113.7	N522 T527	N522-S525 WeakPolarHBondContact CB-OG 3.38Å; N522-S525 PolarHBondContact ND2-OG 3.04Å; S525-T527 VanDerWaalsContact C-N 3.27Å; S525-T527 PolarHBondContact O-N 3.32Å; S525-T527 PolarHBondContact OG-OG1 2.84Å
526	Q	96.8	Very high	96.7	Very high	131 Å²	131	40.3 Å²	40.3	61%	0.612	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.1	38.6	-174	-58.4	-65.4	-31.7	0	0	112.6	Y521 N522 A523	Y521-Q526 PolarHBondContact OH-NE2 3.36Å; Y521-Q526 PolarHBondContact OH-OE1 3.49Å; N522-Q526 VanDerWaalsContact O-CA 3.26Å; N522-Q526 WeakPolarHBondContact O-CA 3.49Å; N522-Q526 PolarHBondContact O-N 3.02Å; A523-Q526 PolarHBondContact O-NE2 3.46Å
527	T	97	Very high	96.8	Very high	52 Å²	52	40.2 Å²	40.2	32%	0.319	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	157.1	179.7	55.3	0	0	0	0	111.2	E421 Y521 N522 S525	E421-T527 WeakPolarHBondContact OE1-CB 3.48Å; E421-T527 PolarHBondContact OE1-OG1 3.49Å; Y521-T527 WeakPolarHBondContact CD2-O 3.42Å; N522-T527 PolarHBondContact N-O 3.35Å; N522-T527 PolarHBondContact O-N 3.5Å; N522-T527 VanDerWaalsContact O-N 3.15Å; S525-T527 VanDerWaalsContact C-N 3.27Å; S525-T527 PolarHBondContact O-N 3.32Å; S525-T527 PolarHBondContact OG-OG1 2.84Å
528	T	97.4	Very high	96.9	Very high	72 Å²	72	42.6 Å²	42.6	44%	0.442	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	151.8	178.5	62.4	0	0	0	0	110	F495 F519 I520 Y521	F495-T528 HydrophobicContact CE1-CG2 4.38Å; F495-T528 HydrophobicContact CZ-CG2 4.04Å; F519-T528 HydrophobicContact CE1-CG2 4.43Å; F519-T528 HydrophobicContact CE2-CG2 3.99Å; F519-T528 HydrophobicContact CZ-CG2 3.51Å; I520-T528 CarbonylContact O-C 3.49Å; I520-T528 WeakPolarHBondContact O-CA 3.36Å; Y521-T528 HydrophobicContact CD2-CG2 3.69Å; Y521-T528 HydrophobicContact CG-CG2 4.37Å
529	A	97	Very high	96.8	Very high	18 Å²	18	45.4 Å²	45.4	15%	0.149	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	153.4	174.3	0	0	0	0	0	111.1	E421 F519 I520 F531	E421-A529 HydrophobicContact CB-CB 3.8Å; E421-A529 HydrophobicContact CG-CB 3.98Å; F519-A529 WeakPolarHBondContact CA-O 3.29Å; I520-A529 PolarHBondContact N-O 3.13Å; I520-A529 PolarHBondContact O-N 3.43Å; A529-F531 HydrophobicContact CB-CE1 4.02Å; A529-F531 HydrophobicContact CB-CE2 3.68Å; A529-F531 HydrophobicContact CB-CZ 3.36Å
530	T	97.5	Very high	96.7	Very high	75 Å²	75	46.9 Å²	46.9	46%	0.46	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	136.3	173.7	-58	0	0	0	0	109.6	F515 T518	F515-T530 HydrophobicContact CB-CG2 4.1Å; F515-T530 HydrophobicContact CD2-CG2 4.19Å; T518-T530 CarbonylContact O-C 3.55Å; T518-T530 WeakPolarHBondContact O-CA 3.27Å; T518-T530 WeakPolarHBondContact O-CG2 3.2Å
531	F	96.6	Very high	96.5	Very high	23 Å²	23	50.5 Å²	50.5	10%	0.101	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	144.6	-175.3	-53.9	-68.4	0	0	0	111.3	C414 E421 M422 N517 T518 I520 A529 L533	C414-F531 HydrophobicContact CB-CE1 4.13Å; E421-F531 HydrophobicContact CB-CE2 4.11Å; E421-F531 HydrophobicContact CB-CZ 4.03Å; M422-F531 HydrophobicContact CB-CE1 4.42Å; M422-F531 HydrophobicContact CB-CZ 4.14Å; M422-F531 HydrophobicContact CE-CB 3.95Å; M422-F531 HydrophobicContact CE-CD1 3.29Å; M422-F531 HydrophobicContact CE-CD2 3.93Å; M422-F531 HydrophobicContact CE-CE1 3.63Å; M422-F531 HydrophobicContact CE-CE2 4.22Å; M422-F531 HydrophobicContact CE-CG 3.44Å; M422-F531 VanDerWaalsContact CE-CG 3.44Å; M422-F531 HydrophobicContact CE-CZ 4.08Å; N517-F531 WeakPolarHBondContact CB-O 3.28Å; T518-F531 PolarHBondContact N-O 3.22Å; T518-F531 PolarHBondContact O-N 3.22Å; I520-F531 HydrophobicContact CB-CE2 4.27Å; I520-F531 HydrophobicContact CG1-CD2 4.03Å; I520-F531 HydrophobicContact CG1-CE2 3.83Å; A529-F531 HydrophobicContact CB-CE1 4.02Å; A529-F531 HydrophobicContact CB-CE2 3.68Å; A529-F531 HydrophobicContact CB-CZ 3.36Å; F531-L533 HydrophobicContact CB-CD1 4.25Å; F531-L533 HydrophobicContact CB-CD2 4Å; F531-L533 HydrophobicContact CB-CG 3.79Å
532	Q	95.7	Very high	96.4	Very high	117 Å²	117	53.6 Å²	53.6	55%	0.547	30%	0.297	S	S	.	.			trans	-99.6	85.5	172.1	-65.8	-177.8	16.7	0	0	109.9	N407 N516 N517	N407-Q532 PolarHBondContact ND2-O 3.36Å; N516-Q532 HydrophobicContact CB-CG 4.41Å; N516-Q532 PolarHBondContact ND2-NE2 2.58Å; N517-Q532 HydrophobicContact CB-CG 4.5Å
533	L	91.8	Very high	96.2	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	32%	0.32	C	S	.	.			trans	-89.2	0	-171.6	-63.8	-179.6	0	0	0	114.9	R395 E400 N407 I411 M422 Y425 N517 T518 F531	R395-L533 WeakPolarHBondContact CD-O 3.4Å; R395-L533 PolarHBondContact NH1-O 2.82Å; R395-L533 PolarHBondContact NH1-OXT 3.1Å; E400-L533 HydrophobicContact CG-CB 4.06Å; N407-L533 WeakPolarHBondContact CB-OXT 3.21Å; I411-L533 HydrophobicContact CG1-CD2 3.91Å; M422-L533 HydrophobicContact CE-CD2 3.77Å; M422-L533 HydrophobicContact SD-CD2 4.1Å; Y425-L533 HydrophobicContact CD1-CD1 3.84Å; Y425-L533 HydrophobicContact CD2-CD1 3.56Å; Y425-L533 HydrophobicContact CE1-CD1 3.75Å; Y425-L533 HydrophobicContact CE2-CD1 3.48Å; Y425-L533 VanDerWaalsContact CE2-CD1 3.48Å; Y425-L533 HydrophobicContact CG-CD1 3.75Å; N517-L533 VanDerWaalsContact CG-N 3.34Å; N517-L533 PolarHBondContact ND2-N 3.47Å; N517-L533 PolarHBondContact ND2-O 3.1Å; N517-L533 PolarHBondContact OD1-N 3.21Å; T518-L533 HydrophobicContact CG2-CD1 3.88Å; F531-L533 HydrophobicContact CB-CD1 4.25Å; F531-L533 HydrophobicContact CB-CD2 4Å; F531-L533 HydrophobicContact CB-CG 3.79Å

Retrieved 533 of 533 residues in 690.1 ms (Link to these results)

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