A0A5K4F6W6_SCHMA Loading...

Polypeptide N-acetylgalactosaminyltransferase AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F6W6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 573 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.7	Very low	46.5	Very low	244 Å²	244	146.8 Å²	146.8	100%	1.202	78%	0.781	S	S	*	*				0	89.5	0	-80.1	170.5	122.1	0	0	108.3
2	V	34.2	Very low	49.3	Very low	149 Å²	149	147.9 Å²	147.9	90%	0.903	77%	0.774	S	S	*	*			trans	-135.9	85.8	168.7	-175.2	0	0	0	0	106
3	K	34.3	Very low	51.6	Low	188 Å²	188	141.6 Å²	141.6	82%	0.817	75%	0.746	S	S	*	*			trans	-141.4	130.9	166.3	-91.7	-166.4	176.5	-175.5	0	107.7
4	D	39.5	Very low	53.7	Low	142 Å²	142	137.4 Å²	137.4	76%	0.759	72%	0.723	S	S	*	*			trans	78.6	76.2	152.1	-48.1	-26	0	0	0	117.7
5	L	39.6	Very low	55.6	Low	159 Å²	159	137.9 Å²	137.9	83%	0.832	72%	0.717	S	S	*	*			trans	-113.4	55.2	150.7	-90.7	156.2	0	0	0	109.4	F7	L5-F7 HydrophobicContact CD2-CD2 4.07Å; L5-F7 HydrophobicContact CD2-CE2 3.57Å
6	A	41.9	Very low	57.6	Low	90 Å²	90	135 Å²	135	74%	0.744	70%	0.702	S	S	*	*			trans	-95.1	88.7	165.2	0	0	0	0	0	107.9	P8	A6-P8 WeakPolarHBondContact O-CD 3.4Å
7	F	42.4	Very low	59.3	Low	168 Å²	168	135.1 Å²	135.1	74%	0.737	70%	0.696	S	S	*	*			trans	-65.4	119.4	169.8	-89	-86.6	0	0	0	108.8	L5 M9	L5-F7 HydrophobicContact CD2-CD2 4.07Å; L5-F7 HydrophobicContact CD2-CE2 3.57Å; F7-M9 PolarHBondContact O-N 3.17Å
8	P	47.5	Very low	60.9	Low	118 Å²	118	132.8 Å²	132.8	77%	0.766	68%	0.684	S	S	*	*			trans	-76.1	92.6	177.4	30.7	-30.2	0	0	0	107.9	A6 K10	A6-P8 WeakPolarHBondContact O-CD 3.4Å; P8-K10 PolarHBondContact O-N 3.03Å; P8-K10 VanDerWaalsContact O-N 3.16Å
9	M	53.7	Low	62.5	Low	106 Å²	106	130.9 Å²	130.9	52%	0.522	67%	0.674	S	S	.	*			trans	-61.4	117.8	168.9	-74.2	-177.3	66.6	0	0	108.4	F7 S11 T13 I14	F7-M9 PolarHBondContact O-N 3.17Å; M9-S11 PolarHBondContact O-N 2.72Å; M9-T13 HydrophobicContact CE-CG2 3.58Å; M9-I14 HydrophobicContact CB-CD1 4.34Å; M9-I14 HydrophobicContact CB-CG1 4.06Å
10	K	66.1	Low	63.8	Low	170 Å²	170	127.9 Å²	127.9	74%	0.739	66%	0.662	S	S	*	*			trans	-55	140.8	178.1	-69	-179.5	178	178.7	0	109.6	P8 F12 T13	P8-K10 PolarHBondContact O-N 3.03Å; P8-K10 VanDerWaalsContact O-N 3.16Å; K10-F12 PolarHBondContact O-N 2.92Å; K10-T13 WeakPolarHBondContact O-CB 3.4Å; K10-T13 PolarHBondContact O-N 2.87Å; K10-T13 PolarHBondContact O-OG1 3.08Å
11	S	75.8	Confident	65.1	Low	81 Å²	81	125.4 Å²	125.4	57%	0.566	65%	0.649	S	S	*	*	H	α-helix	trans	-46.7	-33.4	-176.1	179.8	0	0	0	0	114.3	M9 K15	M9-S11 PolarHBondContact O-N 2.72Å; S11-K15 WeakPolarHBondContact O-CG 3.12Å; S11-K15 PolarHBondContact O-N 2.89Å
12	F	80.3	Confident	67.6	Low	160 Å²	160	118.4 Å²	118.4	70%	0.702	62%	0.616	S	S	*	*	H	α-helix	trans	-63.4	-42.3	176.1	-173.6	-99.7	0	0	0	113.3	K10 I14 K15 L16	K10-F12 PolarHBondContact O-N 2.92Å; F12-I14 PolarHBondContact O-N 3.25Å; F12-K15 PolarHBondContact O-N 3.07Å; F12-L16 PolarHBondContact O-N 3.49Å
13	T	79	Confident	70.2	Confident	66 Å²	66	116 Å²	116	41%	0.405	60%	0.597	S	S	.	*	H	α-helix	trans	-67	-37.7	-178.7	-38.6	0	0	0	0	111.6	M9 K10 L16 F17	M9-T13 HydrophobicContact CE-CG2 3.58Å; K10-T13 WeakPolarHBondContact O-CB 3.4Å; K10-T13 PolarHBondContact O-N 2.87Å; K10-T13 PolarHBondContact O-OG1 3.08Å; T13-L16 PolarHBondContact O-N 3.03Å; T13-F17 WeakPolarHBondContact O-CB 3.35Å; T13-F17 PolarHBondContact O-N 3.26Å
14	I	80.5	Confident	72.8	Confident	83 Å²	83	112 Å²	112	43%	0.426	59%	0.585	S	S	.	*	H	α-helix	trans	-64.8	-45.8	176.2	-62.7	173.6	0	0	0	110.4	M9 F12 L16 F17 I18	M9-I14 HydrophobicContact CB-CD1 4.34Å; M9-I14 HydrophobicContact CB-CG1 4.06Å; F12-I14 PolarHBondContact O-N 3.25Å; I14-L16 PolarHBondContact O-N 3.42Å; I14-F17 PolarHBondContact O-N 2.82Å; I14-I18 HydrophobicContact CG2-CD1 3.86Å; I14-I18 WeakPolarHBondContact O-CG1 3.49Å; I14-I18 PolarHBondContact O-N 3.15Å
15	K	83.2	Confident	75.1	Confident	145 Å²	145	109.3 Å²	109.3	63%	0.63	57%	0.57	S	S	*	*	H	α-helix	trans	-62.2	-41.7	178.1	-71.8	-179.3	-178.8	-176.3	0	112.2	S11 F12 I18 L19	S11-K15 WeakPolarHBondContact O-CG 3.12Å; S11-K15 PolarHBondContact O-N 2.89Å; F12-K15 PolarHBondContact O-N 3.07Å; K15-I18 PolarHBondContact O-N 2.96Å; K15-L19 WeakPolarHBondContact O-CB 3.37Å; K15-L19 PolarHBondContact O-N 3.35Å
16	L	87	Confident	77.3	Confident	91 Å²	91	105.4 Å²	105.4	48%	0.476	55%	0.552	S	S	.	*	H	α-helix	trans	-63.9	-42.4	176.6	-172.7	66.9	0	0	0	111.5	F12 T13 I14 L19 V20	F12-L16 PolarHBondContact O-N 3.49Å; T13-L16 PolarHBondContact O-N 3.03Å; I14-L16 PolarHBondContact O-N 3.42Å; L16-L19 PolarHBondContact O-N 2.88Å; L16-V20 WeakPolarHBondContact O-CG2 3.31Å; L16-V20 PolarHBondContact O-N 3.48Å
17	F	86.8	Confident	79.2	Confident	137 Å²	137	108.3 Å²	108.3	60%	0.601	55%	0.548	S	S	*	.	H	α-helix	trans	-63.7	-43.2	178.9	-157.8	-101.4	0	0	0	112	T13 I14 V20 I21	T13-F17 WeakPolarHBondContact O-CB 3.35Å; T13-F17 PolarHBondContact O-N 3.26Å; I14-F17 PolarHBondContact O-N 2.82Å; F17-V20 PolarHBondContact O-N 3.48Å; F17-I21 HydrophobicContact CD1-CD1 3.6Å; F17-I21 HydrophobicContact CD1-CG1 4.43Å; F17-I21 HydrophobicContact CE1-CD1 3.57Å; F17-I21 HydrophobicContact CE1-CG1 4.42Å; F17-I21 WeakPolarHBondContact O-CG1 3.24Å; F17-I21 PolarHBondContact O-N 2.97Å
18	I	88.7	Confident	81	Confident	93 Å²	93	106.6 Å²	106.6	48%	0.477	54%	0.543	S	S	.	.	H	α-helix	trans	-62.7	-42.5	175.3	-66.9	168.7	0	0	0	111.2	I14 K15 V20 I21 L22	I14-I18 HydrophobicContact CG2-CD1 3.86Å; I14-I18 WeakPolarHBondContact O-CG1 3.49Å; I14-I18 PolarHBondContact O-N 3.15Å; K15-I18 PolarHBondContact O-N 2.96Å; I18-V20 PolarHBondContact O-N 3.28Å; I18-I21 PolarHBondContact O-N 3.21Å; I18-L22 HydrophobicContact CG2-CD1 3.92Å; I18-L22 WeakPolarHBondContact O-CG 3.38Å; I18-L22 PolarHBondContact O-N 2.9Å
19	L	89.7	Confident	82.4	Confident	97 Å²	97	105.9 Å²	105.9	51%	0.508	53%	0.532	S	S	.	.	H	α-helix	trans	-62.7	-42.3	177.8	-175.3	70.7	0	0	0	111.9	K15 L16 L22 L23	K15-L19 WeakPolarHBondContact O-CB 3.37Å; K15-L19 PolarHBondContact O-N 3.35Å; L16-L19 PolarHBondContact O-N 2.88Å; L19-L22 PolarHBondContact O-N 3.37Å; L19-L23 HydrophobicContact CG-CD1 4.2Å; L19-L23 WeakPolarHBondContact O-CB 3.27Å; L19-L23 WeakPolarHBondContact O-CG 3.49Å; L19-L23 PolarHBondContact O-N 3.39Å
20	V	89.7	Confident	83.5	Confident	70 Å²	70	105.5 Å²	105.5	42%	0.424	53%	0.531	S	S	.	.	H	α-helix	trans	-63.6	-43.3	176.7	171.5	0	0	0	0	111	L16 F17 I18 L23 L24	L16-V20 WeakPolarHBondContact O-CG2 3.31Å; L16-V20 PolarHBondContact O-N 3.48Å; F17-V20 PolarHBondContact O-N 3.48Å; I18-V20 PolarHBondContact O-N 3.28Å; V20-L23 PolarHBondContact O-N 3.05Å; V20-L24 HydrophobicContact CG1-CD1 3.99Å; V20-L24 HydrophobicContact CG1-CG 4.49Å; V20-L24 VanDerWaalsContact O-CG 3.31Å; V20-L24 WeakPolarHBondContact O-CG 3.31Å; V20-L24 PolarHBondContact O-N 2.85Å
21	I	89.7	Confident	83.8	Confident	76 Å²	76	104.6 Å²	104.6	39%	0.39	53%	0.527	S	S	.	.	H	α-helix	trans	-61.9	-44.8	176.4	-70	170	0	0	0	111	F17 I18 L23 L24 L25	F17-I21 HydrophobicContact CD1-CD1 3.6Å; F17-I21 HydrophobicContact CD1-CG1 4.43Å; F17-I21 HydrophobicContact CE1-CD1 3.57Å; F17-I21 HydrophobicContact CE1-CG1 4.42Å; F17-I21 WeakPolarHBondContact O-CG1 3.24Å; F17-I21 PolarHBondContact O-N 2.97Å; I18-I21 PolarHBondContact O-N 3.21Å; I21-L23 PolarHBondContact O-N 3.46Å; I21-L24 PolarHBondContact O-N 3.01Å; I21-L25 HydrophobicContact CG2-CD1 3.95Å; I21-L25 HydrophobicContact CG2-CG 4.45Å; I21-L25 WeakPolarHBondContact O-CG 3.48Å; I21-L25 PolarHBondContact O-N 2.96Å
22	L	90.8	Very high	83.4	Confident	98 Å²	98	107.3 Å²	107.3	51%	0.513	53%	0.529	S	S	.	.	H	α-helix	trans	-62.6	-42.2	177.9	-77.1	166	0	0	0	111.9	I18 L19 L25 V26	I18-L22 HydrophobicContact CG2-CD1 3.92Å; I18-L22 WeakPolarHBondContact O-CG 3.38Å; I18-L22 PolarHBondContact O-N 2.9Å; L19-L22 PolarHBondContact O-N 3.37Å; L22-L25 PolarHBondContact O-N 3.35Å; L22-V26 VanDerWaalsContact O-CG2 3.31Å; L22-V26 WeakPolarHBondContact O-CG2 3.44Å; L22-V26 PolarHBondContact O-N 3.01Å
23	L	88.8	Confident	82.6	Confident	97 Å²	97	106.9 Å²	106.9	51%	0.508	52%	0.524	S	S	.	.	H	α-helix	trans	-63.6	-40.3	176	-75.8	167.3	0	0	0	112.1	L19 V20 I21 V26 F27	L19-L23 HydrophobicContact CG-CD1 4.2Å; L19-L23 WeakPolarHBondContact O-CB 3.27Å; L19-L23 WeakPolarHBondContact O-CG 3.49Å; L19-L23 PolarHBondContact O-N 3.39Å; V20-L23 PolarHBondContact O-N 3.05Å; I21-L23 PolarHBondContact O-N 3.46Å; L23-V26 PolarHBondContact O-N 2.98Å; L23-F27 WeakPolarHBondContact O-CB 3.31Å; L23-F27 PolarHBondContact O-N 3.02Å
24	L	88.4	Confident	81.6	Confident	105 Å²	105	107 Å²	107	55%	0.55	52%	0.524	S	S	.	.	H	α-helix	trans	-64.7	-41.6	175.6	-73.1	169.2	0	0	0	111.9	V20 I21 F27 Q28	V20-L24 HydrophobicContact CG1-CD1 3.99Å; V20-L24 HydrophobicContact CG1-CG 4.49Å; V20-L24 VanDerWaalsContact O-CG 3.31Å; V20-L24 WeakPolarHBondContact O-CG 3.31Å; V20-L24 PolarHBondContact O-N 2.85Å; I21-L24 PolarHBondContact O-N 3.01Å; L24-F27 PolarHBondContact O-N 3.24Å; L24-Q28 WeakPolarHBondContact O-CG 3.37Å; L24-Q28 PolarHBondContact O-N 2.85Å
25	L	88	Confident	80.3	Confident	86 Å²	86	105.1 Å²	105.1	45%	0.45	52%	0.519	S	S	.	.	H	α-helix	trans	-64.9	-41.2	176	-73.5	169.6	0	0	0	112	I21 L22 Q28 L29	I21-L25 HydrophobicContact CG2-CD1 3.95Å; I21-L25 HydrophobicContact CG2-CG 4.45Å; I21-L25 WeakPolarHBondContact O-CG 3.48Å; I21-L25 PolarHBondContact O-N 2.96Å; L22-L25 PolarHBondContact O-N 3.35Å; L25-Q28 PolarHBondContact O-N 3.18Å; L25-L29 WeakPolarHBondContact O-CB 3.44Å; L25-L29 PolarHBondContact O-N 3.05Å
26	V	86.1	Confident	78.7	Confident	76 Å²	76	100.9 Å²	100.9	46%	0.461	51%	0.505	S	S	.	.	H	α-helix	trans	-64.2	-43.2	174.9	171.1	0	0	0	0	110.8	L22 L23 Q28 L29 I30	L22-V26 VanDerWaalsContact O-CG2 3.31Å; L22-V26 WeakPolarHBondContact O-CG2 3.44Å; L22-V26 PolarHBondContact O-N 3.01Å; L23-V26 PolarHBondContact O-N 2.98Å; V26-Q28 PolarHBondContact O-N 3.46Å; V26-L29 PolarHBondContact O-N 3.39Å; V26-I30 HydrophobicContact CG1-CD1 3.77Å; V26-I30 HydrophobicContact CG1-CG1 4.36Å; V26-I30 VanDerWaalsContact O-CG1 3.31Å; V26-I30 WeakPolarHBondContact O-CG1 3.48Å; V26-I30 PolarHBondContact O-N 3.02Å
27	F	82	Confident	76.8	Confident	152 Å²	152	100.9 Å²	100.9	67%	0.667	51%	0.505	S	S	*	.	H	α-helix	trans	-61.5	-42.3	175.3	-109.4	-82.9	0	0	0	112.3	L23 L24 I30 F31	L23-F27 WeakPolarHBondContact O-CB 3.31Å; L23-F27 PolarHBondContact O-N 3.02Å; L24-F27 PolarHBondContact O-N 3.24Å; F27-I30 PolarHBondContact O-N 3.1Å; F27-F31 VanDerWaalsContact O-CB 3.29Å; F27-F31 WeakPolarHBondContact O-CB 3.46Å; F27-F31 PolarHBondContact O-N 3.36Å
28	Q	78.6	Confident	74.7	Confident	131 Å²	131	98.8 Å²	98.8	61%	0.612	50%	0.5	S	S	*	.	H	α-helix	trans	-63.8	-41.5	175.3	-77.7	-175.7	-25.9	0	0	112	L24 L25 V26 F31 F32	L24-Q28 WeakPolarHBondContact O-CG 3.37Å; L24-Q28 PolarHBondContact O-N 2.85Å; L25-Q28 PolarHBondContact O-N 3.18Å; V26-Q28 PolarHBondContact O-N 3.46Å; Q28-F31 PolarHBondContact O-N 3.42Å; Q28-F32 VanDerWaalsContact O-CB 3.3Å; Q28-F32 WeakPolarHBondContact O-CB 3.38Å; Q28-F32 PolarHBondContact O-N 3.36Å
29	L	78.1	Confident	72.8	Confident	104 Å²	104	97.3 Å²	97.3	55%	0.545	50%	0.495	S	S	.	.	H	α-helix	trans	-64.4	-44.6	176.1	-95.7	155.6	0	0	0	112.5	L25 V26 F32 Y33	L25-L29 WeakPolarHBondContact O-CB 3.44Å; L25-L29 PolarHBondContact O-N 3.05Å; V26-L29 PolarHBondContact O-N 3.39Å; L29-F32 PolarHBondContact O-N 3.42Å; L29-Y33 WeakPolarHBondContact O-CB 3.29Å; L29-Y33 PolarHBondContact O-N 2.91Å
30	I	76.6	Confident	70.6	Confident	98 Å²	98	97.5 Å²	97.5	50%	0.503	50%	0.5	S	S	.	.	H	α-helix	trans	-61.7	-48.1	175.8	-68.2	167.9	0	0	0	109.6	V26 F27 F32 Y33 T34	V26-I30 HydrophobicContact CG1-CD1 3.77Å; V26-I30 HydrophobicContact CG1-CG1 4.36Å; V26-I30 VanDerWaalsContact O-CG1 3.31Å; V26-I30 WeakPolarHBondContact O-CG1 3.48Å; V26-I30 PolarHBondContact O-N 3.02Å; F27-I30 PolarHBondContact O-N 3.1Å; I30-F32 VanDerWaalsContact C-N 3.3Å; I30-F32 PolarHBondContact O-N 2.95Å; I30-Y33 PolarHBondContact O-N 2.91Å; I30-T34 HydrophobicContact CG2-CG2 4.25Å; I30-T34 WeakPolarHBondContact O-CG2 3.45Å; I30-T34 PolarHBondContact O-N 3.37Å; I30-T34 PolarHBondContact O-OG1 3.45Å; I30-T34 VanDerWaalsContact O-OG1 3.1Å
31	F	73.3	Confident	68	Low	150 Å²	150	99.1 Å²	99.1	66%	0.658	51%	0.506	S	S	*	.	H	α-helix	trans	-59.7	-41.2	178.8	-172.6	-95.6	0	0	0	111.9	F27 Q28 T34 S35	F27-F31 VanDerWaalsContact O-CB 3.29Å; F27-F31 WeakPolarHBondContact O-CB 3.46Å; F27-F31 PolarHBondContact O-N 3.36Å; Q28-F31 PolarHBondContact O-N 3.42Å; F31-T34 WeakPolarHBondContact CA-OG1 3.37Å; F31-T34 PolarHBondContact O-OG1 2.98Å; F31-S35 WeakPolarHBondContact O-CB 3.46Å; F31-S35 PolarHBondContact O-N 3.37Å; F31-S35 PolarHBondContact O-OG 2.93Å
32	F	66.4	Low	65.8	Low	138 Å²	138	98.3 Å²	98.3	61%	0.605	50%	0.502	S	S	*	.	H	α-helix	trans	-66.8	-41.7	176.7	-161.3	-90.7	0	0	0	112	Q28 L29 I30 S35 T36	Q28-F32 VanDerWaalsContact O-CB 3.3Å; Q28-F32 WeakPolarHBondContact O-CB 3.38Å; Q28-F32 PolarHBondContact O-N 3.36Å; L29-F32 PolarHBondContact O-N 3.42Å; I30-F32 VanDerWaalsContact C-N 3.3Å; I30-F32 PolarHBondContact O-N 2.95Å; F32-S35 WeakPolarHBondContact CA-OG 3.31Å; F32-S35 PolarHBondContact O-OG 3.07Å; F32-T36 HydrophobicContact CD1-CG2 4.11Å; F32-T36 HydrophobicContact CE1-CG2 3.94Å; F32-T36 WeakPolarHBondContact O-CB 3.34Å; F32-T36 VanDerWaalsContact O-CG2 3.29Å; F32-T36 WeakPolarHBondContact O-CG2 3.5Å; F32-T36 PolarHBondContact O-N 2.8Å; F32-T36 PolarHBondContact O-OG1 3.37Å
33	Y	62.6	Low	63.4	Low	152 Å²	152	95.7 Å²	95.7	60%	0.596	49%	0.492	S	S	*	.	H	α-helix	trans	-67.3	-41.4	175.8	-102.9	-84.1	0	0	0	113	L29 I30 T36 I37	L29-Y33 WeakPolarHBondContact O-CB 3.29Å; L29-Y33 PolarHBondContact O-N 2.91Å; I30-Y33 PolarHBondContact O-N 2.91Å; Y33-T36 WeakPolarHBondContact CA-OG1 3.47Å; Y33-T36 PolarHBondContact O-OG1 2.89Å; Y33-I37 HydrophobicContact CD1-CD1 4.5Å; Y33-I37 WeakPolarHBondContact O-CB 3.29Å; Y33-I37 VanDerWaalsContact O-CG1 3.27Å; Y33-I37 WeakPolarHBondContact O-CG1 3.43Å; Y33-I37 PolarHBondContact O-N 3.41Å
34	T	58.5	Low	60.9	Low	67 Å²	67	93.4 Å²	93.4	41%	0.411	49%	0.492	S	S	.	.	H	α-helix	trans	-66.7	-43.8	177.2	53.7	0	0	0	0	111.2	I30 F31 T36 I37 D38	I30-T34 HydrophobicContact CG2-CG2 4.25Å; I30-T34 WeakPolarHBondContact O-CG2 3.45Å; I30-T34 PolarHBondContact O-N 3.37Å; I30-T34 PolarHBondContact O-OG1 3.45Å; I30-T34 VanDerWaalsContact O-OG1 3.1Å; F31-T34 WeakPolarHBondContact CA-OG1 3.37Å; F31-T34 PolarHBondContact O-OG1 2.98Å; T34-T36 PolarHBondContact O-N 2.59Å; T34-I37 PolarHBondContact O-N 2.93Å; T34-D38 WeakPolarHBondContact O-CB 3.29Å; T34-D38 PolarHBondContact O-N 2.99Å
35	S	54.5	Low	58.2	Low	44 Å²	44	95.2 Å²	95.2	31%	0.308	50%	0.497	S	S	.	.	H	α-helix	trans	-67	-35.1	178.5	46.5	0	0	0	0	112.8	F31 F32 V39	F31-S35 WeakPolarHBondContact O-CB 3.46Å; F31-S35 PolarHBondContact O-N 3.37Å; F31-S35 PolarHBondContact O-OG 2.93Å; F32-S35 WeakPolarHBondContact CA-OG 3.31Å; F32-S35 PolarHBondContact O-OG 3.07Å; S35-V39 WeakPolarHBondContact O-CB 3.13Å; S35-V39 WeakPolarHBondContact O-CG2 3.44Å; S35-V39 PolarHBondContact O-N 3.22Å; S35-V39 VanDerWaalsContact O-N 3.07Å
36	T	48.5	Very low	56.1	Low	56 Å²	56	94.2 Å²	94.2	34%	0.344	49%	0.492	S	S	.	.	H	α-helix	trans	-70.2	-40	174.5	47.4	0	0	0	0	113.3	F32 Y33 T34 V39 V40	F32-T36 HydrophobicContact CD1-CG2 4.11Å; F32-T36 HydrophobicContact CE1-CG2 3.94Å; F32-T36 WeakPolarHBondContact O-CB 3.34Å; F32-T36 VanDerWaalsContact O-CG2 3.29Å; F32-T36 WeakPolarHBondContact O-CG2 3.5Å; F32-T36 PolarHBondContact O-N 2.8Å; F32-T36 PolarHBondContact O-OG1 3.37Å; Y33-T36 WeakPolarHBondContact CA-OG1 3.47Å; Y33-T36 PolarHBondContact O-OG1 2.89Å; T34-T36 PolarHBondContact O-N 2.59Å; T36-V39 PolarHBondContact O-N 2.69Å; T36-V40 WeakPolarHBondContact O-CG2 3.48Å; T36-V40 PolarHBondContact O-N 2.64Å
37	I	46.5	Very low	53.7	Low	91 Å²	91	92.3 Å²	92.3	47%	0.467	49%	0.488	S	S	.	.	H	α-helix	trans	-65.4	-43.2	176.3	-69.4	169	0	0	0	110.9	Y33 T34 V39 V40 N41	Y33-I37 HydrophobicContact CD1-CD1 4.5Å; Y33-I37 WeakPolarHBondContact O-CB 3.29Å; Y33-I37 VanDerWaalsContact O-CG1 3.27Å; Y33-I37 WeakPolarHBondContact O-CG1 3.43Å; Y33-I37 PolarHBondContact O-N 3.41Å; T34-I37 PolarHBondContact O-N 2.93Å; I37-V39 VanDerWaalsContact C-N 3.33Å; I37-V39 PolarHBondContact O-N 3.34Å; I37-V40 PolarHBondContact O-N 2.99Å; I37-N41 WeakPolarHBondContact O-CB 3.37Å; I37-N41 PolarHBondContact O-N 3.28Å
38	D	43.8	Very low	51.4	Low	93 Å²	93	90.5 Å²	90.5	50%	0.497	49%	0.485	S	S	.	.	H	α-helix	trans	-61.5	-42.5	176.5	-73.3	-26.6	0	0	0	110.9	T34 I42	T34-D38 WeakPolarHBondContact O-CB 3.29Å; T34-D38 PolarHBondContact O-N 2.99Å; D38-I42 VanDerWaalsContact O-CB 3.24Å; D38-I42 WeakPolarHBondContact O-CB 3.36Å; D38-I42 WeakPolarHBondContact O-CD1 3.42Å; D38-I42 WeakPolarHBondContact O-CG1 3.23Å; D38-I42 PolarHBondContact O-N 3.28Å
39	V	47.2	Very low	49.2	Very low	63 Å²	63	88.4 Å²	88.4	38%	0.382	49%	0.485	S	S	.	.	H	α-helix	trans	-64.5	-42.1	177.6	171	0	0	0	0	112.3	S35 T36 I37 S43	S35-V39 WeakPolarHBondContact O-CB 3.13Å; S35-V39 WeakPolarHBondContact O-CG2 3.44Å; S35-V39 PolarHBondContact O-N 3.22Å; S35-V39 VanDerWaalsContact O-N 3.07Å; T36-V39 PolarHBondContact O-N 2.69Å; I37-V39 VanDerWaalsContact C-N 3.33Å; I37-V39 PolarHBondContact O-N 3.34Å; V39-S43 VanDerWaalsContact O-CB 3.29Å; V39-S43 WeakPolarHBondContact O-CB 3.3Å; V39-S43 PolarHBondContact O-N 3.38Å; V39-S43 PolarHBondContact O-OG 3.36Å
40	V	43.7	Very low	46.9	Very low	101 Å²	101	85 Å²	85	61%	0.612	48%	0.475	S	S	*	.	H	α-helix	trans	-69.1	-45	179.2	172.9	0	0	0	0	111.4	T36 I37 I42 S43 G44	T36-V40 WeakPolarHBondContact O-CG2 3.48Å; T36-V40 PolarHBondContact O-N 2.64Å; I37-V40 PolarHBondContact O-N 2.99Å; V40-I42 PolarHBondContact O-N 3.02Å; V40-S43 PolarHBondContact O-N 3.34Å; V40-G44 PolarHBondContact O-N 2.84Å
41	N	35.8	Very low	44.6	Very low	104 Å²	104	87.9 Å²	87.9	56%	0.556	49%	0.49	S	S	*	.	H	α-helix	trans	-65.7	-38.9	179.4	-78.9	-22.1	0	0	0	111.9	I37 H45	I37-N41 WeakPolarHBondContact O-CB 3.37Å; I37-N41 PolarHBondContact O-N 3.28Å; N41-H45 PolarHBondContact O-N 3.45Å
42	I	44.4	Very low	42.3	Very low	58 Å²	58	84.8 Å²	84.8	30%	0.297	49%	0.491	S	S	.	.	H	α-helix	trans	-71.3	-41.3	177.4	-67	168	0	0	0	110.9	D38 V40 G44 H45 L46 L86	D38-I42 VanDerWaalsContact O-CB 3.24Å; D38-I42 WeakPolarHBondContact O-CB 3.36Å; D38-I42 WeakPolarHBondContact O-CD1 3.42Å; D38-I42 WeakPolarHBondContact O-CG1 3.23Å; D38-I42 PolarHBondContact O-N 3.28Å; V40-I42 PolarHBondContact O-N 3.02Å; I42-G44 VanDerWaalsContact C-N 3.29Å; I42-G44 PolarHBondContact O-N 3.23Å; I42-H45 PolarHBondContact O-N 3.03Å; I42-H45 VanDerWaalsContact O-N 3.15Å; I42-L46 HydrophobicContact CG2-CD1 3.56Å; I42-L46 HydrophobicContact CG2-CG 3.98Å; I42-L46 WeakPolarHBondContact O-CB 3.41Å; I42-L46 VanDerWaalsContact O-CG 3.31Å; I42-L46 WeakPolarHBondContact O-CG 3.37Å; I42-L46 PolarHBondContact O-N 3.46Å; I42-L86 HydrophobicContact CD1-CD2 3.87Å
43	S	40.7	Very low	40.6	Very low	44 Å²	44	82.9 Å²	82.9	31%	0.308	49%	0.488	S	S	.	.	H	α-helix	trans	-61.4	-38.5	176.1	-58.1	0	0	0	0	111.9	V39 V40 G47	V39-S43 VanDerWaalsContact O-CB 3.29Å; V39-S43 WeakPolarHBondContact O-CB 3.3Å; V39-S43 PolarHBondContact O-N 3.38Å; V39-S43 PolarHBondContact O-OG 3.36Å; V40-S43 PolarHBondContact O-N 3.34Å; S43-G47 PolarHBondContact O-N 3.48Å
44	G	34.8	Very low	39.4	Very low	48 Å²	48	81.5 Å²	81.5	50%	0.495	50%	0.501	S	S	.	.	H	α-helix	trans	-67.3	-36.9	173.6	0	0	0	0	0	113.7	V40 I42	V40-G44 PolarHBondContact O-N 2.84Å; I42-G44 VanDerWaalsContact C-N 3.29Å; I42-G44 PolarHBondContact O-N 3.23Å
45	H	33.1	Very low	38.4	Very low	143 Å²	143	82.4 Å²	82.4	66%	0.662	51%	0.51	S	S	*	.	H	α-helix	trans	-75	-38.5	176.7	-110.8	-37	0	0	0	113.1	N41 I42 G47 N48 S49	N41-H45 PolarHBondContact O-N 3.45Å; I42-H45 PolarHBondContact O-N 3.03Å; I42-H45 VanDerWaalsContact O-N 3.15Å; H45-G47 VanDerWaalsContact C-N 3.31Å; H45-G47 PolarHBondContact O-N 3.35Å; H45-N48 CarbonylContact O-C 3.59Å; H45-N48 WeakPolarHBondContact O-CA 3.39Å; H45-N48 PolarHBondContact O-N 3.47Å; H45-S49 PolarHBondContact O-N 2.99Å; H45-S49 VanDerWaalsContact O-N 3.08Å; H45-S49 PolarHBondContact O-OG 3.5Å; H45-S49 VanDerWaalsContact O-OG 3.07Å
46	L	42.2	Very low	37.2	Very low	65 Å²	65	83.2 Å²	83.2	34%	0.34	52%	0.524	S	S	.	.	H	α-helix	trans	-66.5	-30.1	177.9	-73.7	171.1	0	0	0	112.8	I42 N48	I42-L46 HydrophobicContact CG2-CD1 3.56Å; I42-L46 HydrophobicContact CG2-CG 3.98Å; I42-L46 WeakPolarHBondContact O-CB 3.41Å; I42-L46 VanDerWaalsContact O-CG 3.31Å; I42-L46 WeakPolarHBondContact O-CG 3.37Å; I42-L46 PolarHBondContact O-N 3.46Å; L46-N48 PolarHBondContact O-N 3.37Å
47	G	36.4	Very low	36.4	Very low	37 Å²	37	88.7 Å²	88.7	38%	0.381	54%	0.544	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-20.5	169.6	0	0	0	0	0	113.8	S43 H45	S43-G47 PolarHBondContact O-N 3.48Å; H45-G47 VanDerWaalsContact C-N 3.31Å; H45-G47 PolarHBondContact O-N 3.35Å
48	N	33.7	Very low	36	Very low	113 Å²	113	92.1 Å²	92.1	60%	0.604	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.9	1.9	-172.5	-92.5	-9.6	0	0	0	115.1	H45 L46 G50	H45-N48 CarbonylContact O-C 3.59Å; H45-N48 WeakPolarHBondContact O-CA 3.39Å; H45-N48 PolarHBondContact O-N 3.47Å; L46-N48 PolarHBondContact O-N 3.37Å; N48-G50 PolarHBondContact O-N 3.3Å
49	S	32	Very low	35.6	Very low	88 Å²	88	90.1 Å²	90.1	62%	0.615	56%	0.557	S	S	*	*			trans	-73.4	28.8	175.6	-53.8	0	0	0	0	114	H45	H45-S49 PolarHBondContact O-N 2.99Å; H45-S49 VanDerWaalsContact O-N 3.08Å; H45-S49 PolarHBondContact O-OG 3.5Å; H45-S49 VanDerWaalsContact O-OG 3.07Å
50	G	30.6	Very low	35.6	Very low	32 Å²	32	92.7 Å²	92.7	33%	0.33	57%	0.568	S	S	.	*			trans	-82.8	110.5	162.6	0	0	0	0	0	108.6	N48 A52	N48-G50 PolarHBondContact O-N 3.3Å; G50-A52 PolarHBondContact O-N 3.03Å
51	I	28.5	Very low	35.7	Very low	159 Å²	159	95 Å²	95	82%	0.815	57%	0.572	S	S	*	*			trans	-61.6	111.1	167.1	-62.4	173.3	0	0	0	106.4	D53	I51-D53 PolarHBondContact O-N 3.03Å; I51-D53 VanDerWaalsContact O-N 3.17Å
52	A	24.3	Very low	36.5	Very low	84 Å²	84	94 Å²	94	69%	0.694	57%	0.567	S	S	*	*			trans	-64.6	113.2	175.7	0	0	0	0	0	109	G50	G50-A52 PolarHBondContact O-N 3.03Å
53	D	30.1	Very low	37.3	Very low	98 Å²	98	95.2 Å²	95.2	52%	0.524	57%	0.571	S	S	.	*			trans	-72	156	160.5	-164.6	3.4	0	0	0	108.9	I51 S55 G56	I51-D53 PolarHBondContact O-N 3.03Å; I51-D53 VanDerWaalsContact O-N 3.17Å; D53-S55 PolarHBondContact O-N 3.01Å; D53-G56 PolarHBondContact O-N 3.28Å
54	S	38.1	Very low	38.1	Very low	124 Å²	124	93.2 Å²	93.2	87%	0.867	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.5	-0.9	-178	54.2	0	0	0	0	116.5
55	S	36.7	Very low	39.7	Very low	86 Å²	86	98.5 Å²	98.5	60%	0.601	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.3	7	175.3	64	0	0	0	0	115.5	D53 K57	D53-S55 PolarHBondContact O-N 3.01Å; S55-K57 VanDerWaalsContact C-N 3.31Å; S55-K57 PolarHBondContact O-N 3.48Å
56	G	30	Very low	41.9	Very low	60 Å²	60	99 Å²	99	62%	0.619	57%	0.569	S	S	*	*			trans	68	20.9	167.8	0	0	0	0	0	116	D53	D53-G56 PolarHBondContact O-N 3.28Å
57	K	31.4	Very low	44.2	Very low	172 Å²	172	98 Å²	98	75%	0.748	56%	0.562	S	S	*	*			trans	-98.4	119.1	175	-70.2	-176.3	179.8	177.5	0	110.8	S55 G59	S55-K57 VanDerWaalsContact C-N 3.31Å; S55-K57 PolarHBondContact O-N 3.48Å; K57-G59 VanDerWaalsContact C-N 3.27Å; K57-G59 PolarHBondContact O-N 3.35Å
58	F	38.2	Very low	46.8	Very low	162 Å²	162	96.6 Å²	96.6	71%	0.711	55%	0.547	S	S	*	.			trans	-68.4	81	168.5	-82.3	-95.7	0	0	0	110.2
59	G	35.5	Very low	49.6	Very low	52 Å²	52	92.4 Å²	92.4	54%	0.536	53%	0.525	S	S	.	.			trans	-99.9	116.4	163.2	0	0	0	0	0	108.6	K57 H61	K57-G59 VanDerWaalsContact C-N 3.27Å; K57-G59 PolarHBondContact O-N 3.35Å; G59-H61 PolarHBondContact O-N 2.96Å
60	L	47.9	Very low	52.5	Low	117 Å²	117	91.1 Å²	91.1	61%	0.613	51%	0.51	S	S	*	.			trans	-58.5	112.6	159.9	-76.6	161.7	0	0	0	106.2	D62	L60-D62 PolarHBondContact O-N 3.49Å; L60-D62 VanDerWaalsContact O-N 3.16Å
61	H	46.4	Very low	55.6	Low	149 Å²	149	89.8 Å²	89.8	69%	0.69	50%	0.496	S	S	*	.			trans	-55.4	121.7	173.1	-91.3	-79	0	0	0	108.3	G59 Q63	G59-H61 PolarHBondContact O-N 2.96Å; H61-Q63 PolarHBondContact O-N 3.38Å
62	D	52.2	Low	58.7	Low	84 Å²	84	89.1 Å²	89.1	45%	0.449	48%	0.483	S	S	.	.			trans	-65.1	103.4	175.4	-170.2	-1.6	0	0	0	108.9	L60 S64	L60-D62 PolarHBondContact O-N 3.49Å; L60-D62 VanDerWaalsContact O-N 3.16Å; D62-S64 VanDerWaalsContact C-N 3.34Å; D62-S64 WeakPolarHBondContact OD1-CB 3.47Å; D62-S64 PolarHBondContact OD1-N 2.96Å; D62-S64 VanDerWaalsContact OD1-N 3.07Å; D62-S64 PolarHBondContact OD1-OG 2.96Å
63	Q	60.3	Low	62.1	Low	82 Å²	82	87.8 Å²	87.8	38%	0.383	47%	0.468	S	S	.	.			trans	-98.2	15.8	175.7	-63.2	-169.1	11.8	0	0	111.7	H61 E65 K66 F67	H61-Q63 PolarHBondContact O-N 3.38Å; Q63-E65 VanDerWaalsContact C-N 3.28Å; Q63-E65 PolarHBondContact O-N 2.94Å; Q63-K66 WeakPolarHBondContact O-CA 3.37Å; Q63-K66 WeakPolarHBondContact O-CB 3.44Å; Q63-K66 PolarHBondContact O-N 3.34Å; Q63-F67 HydrophobicContact CB-CD2 4.2Å; Q63-F67 PolarHBondContact O-N 3.29Å
64	S	58.1	Low	65.2	Low	3 Å²	3	83.5 Å²	83.5	2%	0.021	45%	0.445	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-41.2	-176.6	53.4	0	0	0	0	113	D62 K66 F67 D69 I101	D62-S64 VanDerWaalsContact C-N 3.34Å; D62-S64 WeakPolarHBondContact OD1-CB 3.47Å; D62-S64 PolarHBondContact OD1-N 2.96Å; D62-S64 VanDerWaalsContact OD1-N 3.07Å; D62-S64 PolarHBondContact OD1-OG 2.96Å; S64-K66 PolarHBondContact O-N 2.94Å; S64-K66 VanDerWaalsContact O-N 3.13Å; S64-F67 CarbonylContact O-C 3.48Å; S64-F67 PolarHBondContact O-N 2.92Å; S64-D69 WeakPolarHBondContact O-CA 3.36Å; S64-D69 WeakPolarHBondContact O-CB 3.31Å; S64-D69 PolarHBondContact O-N 3.34Å; S64-I101 WeakPolarHBondContact CA-O 3.39Å; S64-I101 VanDerWaalsContact CB-O 3.24Å; S64-I101 WeakPolarHBondContact CB-O 3.34Å
65	E	66.9	Low	67.8	Low	159 Å²	159	83.5 Å²	83.5	74%	0.743	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-26	175.8	-66.4	-173.1	170.9	0	0	113.2	Q63	Q63-E65 VanDerWaalsContact C-N 3.28Å; Q63-E65 PolarHBondContact O-N 2.94Å
66	K	80	Confident	70.5	Confident	153 Å²	153	80.3 Å²	80.3	67%	0.665	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-38.3	179.6	-173.8	179	177.8	-177.2	0	112.6	Q63 S64	Q63-K66 WeakPolarHBondContact O-CA 3.37Å; Q63-K66 WeakPolarHBondContact O-CB 3.44Å; Q63-K66 PolarHBondContact O-N 3.34Å; S64-K66 PolarHBondContact O-N 2.94Å; S64-K66 VanDerWaalsContact O-N 3.13Å
67	F	90.7	Very high	73.4	Confident	45 Å²	45	80.5 Å²	80.5	20%	0.197	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125	118.2	-174.3	-66.6	-67.1	0	0	0	111.4	Q63 S64 D69 V74 L100 I101	Q63-F67 HydrophobicContact CB-CD2 4.2Å; Q63-F67 PolarHBondContact O-N 3.29Å; S64-F67 CarbonylContact O-C 3.48Å; S64-F67 PolarHBondContact O-N 2.92Å; F67-D69 PolarHBondContact O-N 3.01Å; F67-V74 HydrophobicContact CB-CG2 4.02Å; F67-V74 HydrophobicContact CD1-CG1 3.9Å; F67-L100 HydrophobicContact CB-CB 4.16Å; F67-L100 HydrophobicContact CD2-CB 3.94Å; F67-L100 HydrophobicContact CD2-CD2 4.21Å; F67-L100 HydrophobicContact CE1-CD1 4.45Å; F67-L100 HydrophobicContact CE2-CB 4.49Å; F67-L100 HydrophobicContact CE2-CD2 3.96Å; F67-L100 HydrophobicContact CG-CB 4.01Å; F67-L100 HydrophobicContact CZ-CD1 4.47Å; F67-L100 HydrophobicContact CZ-CD2 4.43Å; F67-I101 HydrophobicContact CB-CG1 4.49Å; F67-I101 WeakPolarHBondContact O-CA 3.44Å
68	G	91.9	Very high	76.1	Confident	6 Å²	6	79 Å²	79	6%	0.062	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.2	1.4	172.9	0	0	0	0	0	115.1	G71 R72 R105	G68-G71 CarbonylContact O-C 3.46Å; G68-G71 WeakPolarHBondContact O-CA 3.47Å; G68-G71 PolarHBondContact O-N 3.12Å; G68-R72 VanDerWaalsContact CA-O 3.27Å; G68-R72 WeakPolarHBondContact CA-O 3.46Å; G68-R72 PolarHBondContact O-N 3.35Å; G68-R105 WeakPolarHBondContact O-CD 3.19Å; G68-R105 PolarHBondContact O-NH1 3.2Å
69	D	92.1	Very high	78.6	Confident	25 Å²	25	79.5 Å²	79.5	13%	0.134	41%	0.406	C	S	.	.	G	3₁₀ helix	trans	-44.3	138.1	176.1	-169.1	44.7	0	0	0	112.6	S64 F67 G71 R72 N106	S64-D69 WeakPolarHBondContact O-CA 3.36Å; S64-D69 WeakPolarHBondContact O-CB 3.31Å; S64-D69 PolarHBondContact O-N 3.34Å; F67-D69 PolarHBondContact O-N 3.01Å; D69-G71 PolarHBondContact O-N 3.31Å; D69-R72 WeakPolarHBondContact O-CB 3.46Å; D69-R72 WeakPolarHBondContact O-CG 3.41Å; D69-R72 PolarHBondContact O-N 3.21Å; D69-R72 PolarHBondContact O-NE 2.86Å; D69-R72 IonicContact OD2-NH2 3.89Å; D69-R72 PolarHBondContact OD2-NH2 3.47Å; D69-N106 WeakPolarHBondContact OD1-CB 3.38Å; D69-N106 PolarHBondContact OD1-ND2 3.2Å
70	M	93.4	Very high	81.4	Confident	61 Å²	61	78.7 Å²	78.7	30%	0.3	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	56.9	27.6	-175.9	-54	-53.3	-64.8	0	0	113.8	R72 N106 D108	M70-R72 VanDerWaalsContact C-N 3.32Å; M70-R72 PolarHBondContact O-N 3.03Å; M70-N106 VanDerWaalsContact CA-O 3.29Å; M70-N106 WeakPolarHBondContact CA-O 3.37Å; M70-N106 PolarHBondContact N-O 3.17Å; M70-N106 HydrophobicContact SD-CB 3.6Å; M70-D108 HydrophobicContact CE-CB 3.9Å; M70-D108 WeakPolarHBondContact CE-OD1 3.36Å; M70-D108 VanDerWaalsContact CE-OD2 3.32Å; M70-D108 WeakPolarHBondContact CE-OD2 3.44Å
71	G	94.1	Very high	83.5	Confident	5 Å²	5	77 Å²	77	5%	0.052	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	78.9	9.6	178.3	0	0	0	0	0	114.8	G68 D69 E258 Y259	G68-G71 CarbonylContact O-C 3.46Å; G68-G71 WeakPolarHBondContact O-CA 3.47Å; G68-G71 PolarHBondContact O-N 3.12Å; D69-G71 PolarHBondContact O-N 3.31Å; G71-E258 WeakPolarHBondContact O-CA 3.41Å; G71-Y259 PolarHBondContact O-N 3.13Å
72	R	95.2	Very high	85.7	Confident	144 Å²	144	73.4 Å²	73.4	54%	0.543	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-65.1	153.8	-178.9	-71.4	-178.5	-73.4	-169.9	-2.8	112.6	G68 D69 M70	G68-R72 VanDerWaalsContact CA-O 3.27Å; G68-R72 WeakPolarHBondContact CA-O 3.46Å; G68-R72 PolarHBondContact O-N 3.35Å; D69-R72 WeakPolarHBondContact O-CB 3.46Å; D69-R72 WeakPolarHBondContact O-CG 3.41Å; D69-R72 PolarHBondContact O-N 3.21Å; D69-R72 PolarHBondContact O-NE 2.86Å; D69-R72 IonicContact OD2-NH2 3.89Å; D69-R72 PolarHBondContact OD2-NH2 3.47Å; M70-R72 VanDerWaalsContact C-N 3.32Å; M70-R72 PolarHBondContact O-N 3.03Å
73	P	95.6	Very high	87.7	Confident	57 Å²	57	72.4 Å²	72.4	37%	0.37	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-66	140.1	173.7	25.6	-32.6	0	0	0	111.4	T256 E258	P73-T256 HydrophobicContact CB-CG2 4.36Å; P73-E258 HydrophobicContact CB-CB 3.97Å; P73-E258 HydrophobicContact CB-CG 4.33Å
74	V	95.2	Very high	89.3	Confident	7 Å²	7	69 Å²	69	4%	0.042	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-90.5	121.3	168.7	177.4	0	0	0	0	109.7	F67 L76 V97 L100 I101 T256	F67-V74 HydrophobicContact CB-CG2 4.02Å; F67-V74 HydrophobicContact CD1-CG1 3.9Å; V74-L76 HydrophobicContact CG1-CD2 4.29Å; V74-V97 HydrophobicContact CB-CB 4.49Å; V74-V97 HydrophobicContact CB-CG1 3.63Å; V74-V97 HydrophobicContact CB-CG2 4.16Å; V74-V97 HydrophobicContact CG1-CG1 4.13Å; V74-V97 HydrophobicContact CG1-CG2 4.01Å; V74-V97 HydrophobicContact CG2-CG1 3.94Å; V74-L100 HydrophobicContact CG1-CD1 4.36Å; V74-I101 HydrophobicContact CG2-CD1 3.79Å; V74-I101 HydrophobicContact CG2-CG1 3.61Å; V74-T256 PolarHBondContact N-O 2.85Å
75	V	92.8	Very high	91	Very high	125 Å²	125	76.8 Å²	76.8	76%	0.758	38%	0.383	S	S	*	.			trans	-96.7	113.5	172.4	-177.3	0	0	0	0	108.8
76	L	92.3	Very high	92.2	Very high	18 Å²	18	73.8 Å²	73.8	9%	0.094	37%	0.372	C	S	.	.			trans	-71.4	141.6	177.6	-66.8	-176.9	0	0	0	111.9	V74 L80 K81 S84 V96 V97 L100	V74-L76 HydrophobicContact CG1-CD2 4.29Å; L76-L80 HydrophobicContact CB-CB 4.33Å; L76-L80 HydrophobicContact CD1-CB 4.5Å; L76-L80 HydrophobicContact CD2-CB 4.26Å; L76-L80 HydrophobicContact CD2-CD1 4.27Å; L76-K81 HydrophobicContact CB-CG 4.17Å; L76-K81 WeakPolarHBondContact O-CE 3.33Å; L76-S84 VanDerWaalsContact CD1-CB 3.44Å; L76-V96 HydrophobicContact CD1-CB 4.38Å; L76-V96 HydrophobicContact CD1-CG1 4.32Å; L76-V96 HydrophobicContact CD2-CG1 3.97Å; L76-V97 HydrophobicContact CD1-CG2 3.9Å; L76-V97 HydrophobicContact CD2-CG2 3.59Å; L76-V97 HydrophobicContact CG-CG2 3.62Å; L76-L100 HydrophobicContact CD2-CD1 3.59Å
77	S	90.7	Very high	92.9	Very high	65 Å²	65	66.7 Å²	66.7	46%	0.455	34%	0.342	S	S	.	.			trans	-65.5	156.6	166.5	66.2	0	0	0	0	110.8	F79 L80 K81	S77-F79 PolarHBondContact O-N 2.71Å; S77-L80 PolarHBondContact O-N 2.93Å; S77-K81 PolarHBondContact O-N 3.49Å
78	E	89.4	Confident	93	Very high	139 Å²	139	67 Å²	67	65%	0.65	34%	0.343	S	S	*	.	H	α-helix	trans	-57.4	-35.5	-177.5	-159.9	59.5	-140.6	0	0	112.7	L80 K81	E78-L80 VanDerWaalsContact C-N 3.32Å; E78-L80 PolarHBondContact O-N 3.23Å; E78-K81 PolarHBondContact O-N 3.01Å; E78-K81 WeakPolarHBondContact OE2-CD 3.45Å; E78-K81 WeakPolarHBondContact OE2-CE 3.49Å; E78-K81 IonicContact OE2-NZ 2.79Å; E78-K81 PolarHBondContact OE2-NZ 3.34Å
79	F	90.5	Very high	93	Very high	173 Å²	173	71.5 Å²	71.5	76%	0.759	36%	0.362	S	S	*	.	H	α-helix	trans	-60.6	-37	176	173.2	-100.1	0	0	0	113.2	S77	S77-F79 PolarHBondContact O-N 2.71Å
80	L	93.6	Very high	93	Very high	36 Å²	36	72.9 Å²	72.9	19%	0.188	37%	0.369	C	S	.	.	H	α-helix	trans	-86.2	-16.5	-178.2	-68.2	178.6	0	0	0	113.5	L76 S77 E78 A82 E83 S84 V96 L100	L76-L80 HydrophobicContact CB-CB 4.33Å; L76-L80 HydrophobicContact CD1-CB 4.5Å; L76-L80 HydrophobicContact CD2-CB 4.26Å; L76-L80 HydrophobicContact CD2-CD1 4.27Å; S77-L80 PolarHBondContact O-N 2.93Å; E78-L80 VanDerWaalsContact C-N 3.32Å; E78-L80 PolarHBondContact O-N 3.23Å; L80-A82 VanDerWaalsContact C-N 3.29Å; L80-A82 PolarHBondContact O-N 3.39Å; L80-E83 PolarHBondContact O-N 2.96Å; L80-S84 WeakPolarHBondContact O-CB 3.46Å; L80-S84 PolarHBondContact O-N 2.75Å; L80-V96 HydrophobicContact CB-CG1 4.17Å; L80-V96 HydrophobicContact CD1-CG1 4.3Å; L80-V96 HydrophobicContact CD2-CG1 4.29Å; L80-V96 HydrophobicContact CG-CG1 4.49Å; L80-L100 HydrophobicContact CD1-CD1 4.06Å
81	K	92.7	Very high	93.1	Very high	82 Å²	82	70.4 Å²	70.4	36%	0.357	36%	0.357	S	S	.	.	H	α-helix	trans	-63.7	-34	180	-73	-179.2	-171	168.1	0	112.7	L76 S77 E78 K85	L76-K81 HydrophobicContact CB-CG 4.17Å; L76-K81 WeakPolarHBondContact O-CE 3.33Å; S77-K81 PolarHBondContact O-N 3.49Å; E78-K81 PolarHBondContact O-N 3.01Å; E78-K81 WeakPolarHBondContact OE2-CD 3.45Å; E78-K81 WeakPolarHBondContact OE2-CE 3.49Å; E78-K81 IonicContact OE2-NZ 2.79Å; E78-K81 PolarHBondContact OE2-NZ 3.34Å; K81-K85 WeakPolarHBondContact O-CG 3.48Å; K81-K85 PolarHBondContact O-N 3.18Å
82	A	92.2	Very high	93.1	Very high	72 Å²	72	71.7 Å²	71.7	60%	0.595	36%	0.362	S	S	*	.	H	α-helix	trans	-65.7	-47.4	177.8	0	0	0	0	0	111.5	L80 K85 L86	L80-A82 VanDerWaalsContact C-N 3.29Å; L80-A82 PolarHBondContact O-N 3.39Å; A82-K85 PolarHBondContact O-N 3.38Å; A82-L86 PolarHBondContact O-N 3.37Å
83	E	93.6	Very high	93.2	Very high	64 Å²	64	64.8 Å²	64.8	30%	0.299	34%	0.336	S	S	.	.	H	α-helix	trans	-63.5	-41.2	176.2	-173.8	-176.6	174.3	0	0	111.7	L80 K85 L86 T87 V96	L80-E83 PolarHBondContact O-N 2.96Å; E83-K85 PolarHBondContact O-N 2.95Å; E83-L86 PolarHBondContact O-N 2.76Å; E83-T87 HydrophobicContact CG-CG2 4.35Å; E83-T87 WeakPolarHBondContact O-CB 3.22Å; E83-T87 WeakPolarHBondContact O-CG2 3.05Å; E83-T87 PolarHBondContact O-N 3.38Å; E83-T87 PolarHBondContact O-OG1 3.01Å; E83-V96 HydrophobicContact CB-CG2 4.1Å; E83-V96 HydrophobicContact CG-CG2 3.75Å
84	S	93.7	Very high	93.2	Very high	9 Å²	9	62.3 Å²	62.3	6%	0.063	32%	0.319	C	S	.	.	H	α-helix	trans	-58.3	-47.5	176	173.4	0	0	0	0	111.9	L76 L80 L86 T87 F88 N94	L76-S84 VanDerWaalsContact CD1-CB 3.44Å; L80-S84 WeakPolarHBondContact O-CB 3.46Å; L80-S84 PolarHBondContact O-N 2.75Å; S84-L86 VanDerWaalsContact C-N 3.34Å; S84-L86 PolarHBondContact O-N 3.47Å; S84-T87 PolarHBondContact O-N 3.16Å; S84-T87 PolarHBondContact O-OG1 3.06Å; S84-F88 WeakPolarHBondContact O-CB 3.48Å; S84-F88 PolarHBondContact O-N 3.44Å; S84-N94 PolarHBondContact OG-ND2 3.21Å; S84-N94 PolarHBondContact OG-OD1 2.76Å
85	K	93.5	Very high	93.2	Very high	167 Å²	167	62.8 Å²	62.8	73%	0.726	32%	0.322	S	S	*	.	H	α-helix	trans	-62.2	-40.6	175.6	-73.1	174.9	-178.8	177.9	0	112.3	K81 A82 E83	K81-K85 WeakPolarHBondContact O-CG 3.48Å; K81-K85 PolarHBondContact O-N 3.18Å; A82-K85 PolarHBondContact O-N 3.38Å; E83-K85 PolarHBondContact O-N 2.95Å
86	L	93	Very high	93.4	Very high	96 Å²	96	57.2 Å²	57.2	50%	0.503	29%	0.288	S	S	.	.	H	α-helix	trans	-66.4	-38.3	179.3	-176.5	64.8	0	0	0	111.8	I42 A82 E83 S84 H89	I42-L86 HydrophobicContact CD1-CD2 3.87Å; A82-L86 PolarHBondContact O-N 3.37Å; E83-L86 PolarHBondContact O-N 2.76Å; S84-L86 VanDerWaalsContact C-N 3.34Å; S84-L86 PolarHBondContact O-N 3.47Å; L86-H89 PolarHBondContact O-CE1 3.38Å; L86-H89 PolarHBondContact O-ND1 2.89Å
87	T	94.3	Very high	93.6	Very high	5 Å²	5	56.4 Å²	56.4	3%	0.031	28%	0.284	C	S	.	.	H	α-helix	trans	-93.1	-12.6	-173.8	54.6	0	0	0	0	114.7	E83 S84 H89 L90	E83-T87 HydrophobicContact CG-CG2 4.35Å; E83-T87 WeakPolarHBondContact O-CB 3.22Å; E83-T87 WeakPolarHBondContact O-CG2 3.05Å; E83-T87 PolarHBondContact O-N 3.38Å; E83-T87 PolarHBondContact O-OG1 3.01Å; S84-T87 PolarHBondContact O-N 3.16Å; S84-T87 PolarHBondContact O-OG1 3.06Å; T87-H89 VanDerWaalsContact C-N 3.3Å; T87-H89 PolarHBondContact O-N 3.43Å; T87-L90 HydrophobicContact CG2-CD1 4.37Å; T87-L90 WeakPolarHBondContact O-CB 3.43Å; T87-L90 WeakPolarHBondContact O-CG 3.37Å; T87-L90 PolarHBondContact O-N 2.86Å; T87-L90 VanDerWaalsContact O-N 3.12Å
88	F	93.3	Very high	93.9	Very high	51 Å²	51	53.3 Å²	53.3	22%	0.224	26%	0.262	C	S	.	.	H	α-helix	trans	-52.3	-44.5	-176.2	-170.4	-83.3	0	0	0	113.5	S84 L90 N91 E92 F93 H254	S84-F88 WeakPolarHBondContact O-CB 3.48Å; S84-F88 PolarHBondContact O-N 3.44Å; F88-L90 PolarHBondContact O-N 2.86Å; F88-N91 PolarHBondContact O-N 3.31Å; F88-E92 VanDerWaalsContact O-CA 3.27Å; F88-E92 WeakPolarHBondContact O-CA 3.43Å; F88-E92 PolarHBondContact O-N 2.65Å; F88-F93 PolarHBondContact O-N 2.77Å; F88-H254 AromaticContact CE2-ND1 3.57Å; F88-H254 AromaticContact CZ-CE1 3.81Å; F88-H254 AromaticContact CZ-ND1 3.34Å; F88-H254 VanDerWaalsContact CZ-ND1 3.34Å; F88-H254 WeakPolarHBondContact CZ-ND1 3.5Å
89	H	91.7	Very high	94.2	Very high	101 Å²	101	50 Å²	50	47%	0.468	25%	0.249	S	C	.	.	H	α-helix	trans	-69.1	-13.6	-175.3	70.4	-83.8	0	0	0	114.3	L86 T87 N91	L86-H89 PolarHBondContact O-CE1 3.38Å; L86-H89 PolarHBondContact O-ND1 2.89Å; T87-H89 VanDerWaalsContact C-N 3.3Å; T87-H89 PolarHBondContact O-N 3.43Å; H89-N91 VanDerWaalsContact C-N 3.31Å; H89-N91 PolarHBondContact O-N 3.05Å
90	L	92.4	Very high	94.4	Very high	53 Å²	53	43.3 Å²	43.3	28%	0.277	22%	0.221	S	C	.	.	H	α-helix	trans	-67.7	-35	178.7	-63.5	177.2	0	0	0	111.8	T87 F88 L95	T87-L90 HydrophobicContact CG2-CD1 4.37Å; T87-L90 WeakPolarHBondContact O-CB 3.43Å; T87-L90 WeakPolarHBondContact O-CG 3.37Å; T87-L90 PolarHBondContact O-N 2.86Å; T87-L90 VanDerWaalsContact O-N 3.12Å; F88-L90 PolarHBondContact O-N 2.86Å; L90-L95 HydrophobicContact CD1-CD2 4.26Å
91	N	94.5	Very high	94.3	Very high	9 Å²	9	41.6 Å²	41.6	5%	0.048	21%	0.212	C	C	.	.	H	α-helix	trans	-132.2	-1.7	-176.8	-62.6	99	0	0	0	113.6	F88 H89 F93 N137 E138 A139 R358	F88-N91 PolarHBondContact O-N 3.31Å; H89-N91 VanDerWaalsContact C-N 3.31Å; H89-N91 PolarHBondContact O-N 3.05Å; N91-F93 VanDerWaalsContact C-N 3.28Å; N91-F93 HydrophobicContact CB-CD1 3.95Å; N91-F93 HydrophobicContact CB-CD2 4.34Å; N91-F93 HydrophobicContact CB-CE1 3.5Å; N91-F93 HydrophobicContact CB-CE2 3.91Å; N91-F93 HydrophobicContact CB-CG 4.36Å; N91-F93 HydrophobicContact CB-CZ 3.47Å; N91-F93 VanDerWaalsContact CB-CZ 3.47Å; N91-F93 VanDerWaalsContact O-CD1 3.32Å; N91-F93 WeakPolarHBondContact O-CD1 3.4Å; N91-F93 PolarHBondContact O-N 3.38Å; N91-N137 PolarHBondContact ND2-O 3.49Å; N91-N137 VanDerWaalsContact ND2-O 3.15Å; N91-E138 PolarHBondContact ND2-OE1 3.48Å; N91-A139 PolarHBondContact ND2-N 3.15Å; N91-A139 VanDerWaalsContact ND2-N 3.15Å; N91-R358 WeakPolarHBondContact O-CD 3.44Å; N91-R358 VanDerWaalsContact O-CZ 3.25Å; N91-R358 PolarHBondContact O-NE 3.44Å; N91-R358 PolarHBondContact O-NH1 3.02Å
92	E	95.1	Very high	94.1	Very high	32 Å²	32	38.2 Å²	38.2	15%	0.15	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	32.4	-176.8	-62.3	-72	133.9	0	0	113.4	F88 R358 S360 P362	F88-E92 VanDerWaalsContact O-CA 3.27Å; F88-E92 WeakPolarHBondContact O-CA 3.43Å; F88-E92 PolarHBondContact O-N 2.65Å; E92-R358 HydrophobicContact CB-CB 4.07Å; E92-R358 HydrophobicContact CB-CG 4.23Å; E92-S360 VanDerWaalsContact CB-O 3.31Å; E92-S360 WeakPolarHBondContact CB-O 3.21Å; E92-S360 WeakPolarHBondContact CG-O 3.23Å; E92-S360 PolarHBondContact OE2-OG 3.3Å; E92-P362 HydrophobicContact CG-CB 3.86Å
93	F	96.3	Very high	94.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.178	C	C	.	.	S	Bend	trans	-154.2	168.8	169	58.4	-109.4	0	0	0	110.2	F88 N91 L95 A139 A142 H254 F257 V356 R358	F88-F93 PolarHBondContact O-N 2.77Å; N91-F93 VanDerWaalsContact C-N 3.28Å; N91-F93 HydrophobicContact CB-CD1 3.95Å; N91-F93 HydrophobicContact CB-CD2 4.34Å; N91-F93 HydrophobicContact CB-CE1 3.5Å; N91-F93 HydrophobicContact CB-CE2 3.91Å; N91-F93 HydrophobicContact CB-CG 4.36Å; N91-F93 HydrophobicContact CB-CZ 3.47Å; N91-F93 VanDerWaalsContact CB-CZ 3.47Å; N91-F93 VanDerWaalsContact O-CD1 3.32Å; N91-F93 WeakPolarHBondContact O-CD1 3.4Å; N91-F93 PolarHBondContact O-N 3.38Å; F93-L95 HydrophobicContact CE2-CD1 4.42Å; F93-L95 PolarHBondContact O-N 3.16Å; F93-A139 HydrophobicContact CE2-CB 3.94Å; F93-A139 HydrophobicContact CZ-CB 3.57Å; F93-A142 HydrophobicContact CZ-CB 3.89Å; F93-H254 CarbonylContact C-O 3.44Å; F93-H254 VanDerWaalsContact CA-O 3.27Å; F93-H254 WeakPolarHBondContact CA-O 3.31Å; F93-H254 HydrophobicContact CB-CB 3.91Å; F93-H254 WeakPolarHBondContact CB-O 3.35Å; F93-F257 HydrophobicContact CB-CE2 4.3Å; F93-F257 HydrophobicContact CB-CZ 4.41Å; F93-F257 AromaticContact CD2-CE2 3.84Å; F93-F257 HydrophobicContact CD2-CE2 3.84Å; F93-F257 AromaticContact CD2-CZ 3.57Å; F93-F257 HydrophobicContact CD2-CZ 3.57Å; F93-F257 AromaticContact CE2-CZ 3.99Å; F93-F257 HydrophobicContact CE2-CZ 3.99Å; F93-F257 HydrophobicContact CG-CE2 4.33Å; F93-F257 HydrophobicContact CG-CZ 4.06Å; F93-V356 HydrophobicContact CB-CG1 3.93Å; F93-V356 HydrophobicContact CD1-CG1 3.96Å; F93-V356 HydrophobicContact CG-CG1 4.16Å; F93-R358 HydrophobicContact CD1-CG 4.49Å
94	N	96.1	Very high	94.1	Very high	4 Å²	4	38.2 Å²	38.2	2%	0.021	18%	0.184	C	C	.	.			trans	-70.8	90.8	-178.3	-166.6	-23.1	0	0	0	112.1	S84 V96 V97 S98 H254 D255 F257	S84-N94 PolarHBondContact OG-ND2 3.21Å; S84-N94 PolarHBondContact OG-OD1 2.76Å; N94-V96 VanDerWaalsContact C-N 3.3Å; N94-V96 PolarHBondContact O-N 2.79Å; N94-V96 PolarHBondContact OD1-N 3.25Å; N94-V97 HydrophobicContact CB-CB 4.05Å; N94-V97 HydrophobicContact CB-CG2 4.18Å; N94-V97 VanDerWaalsContact ND2-CG2 3.27Å; N94-V97 WeakPolarHBondContact ND2-CG2 3.27Å; N94-V97 PolarHBondContact O-N 2.58Å; N94-V97 PolarHBondContact OD1-N 2.75Å; N94-S98 PolarHBondContact O-N 3.49Å; N94-H254 PolarHBondContact N-O 2.75Å; N94-D255 WeakPolarHBondContact CB-O 3.31Å; N94-D255 PolarHBondContact ND2-O 3.49Å; N94-F257 WeakPolarHBondContact O-CE2 3.44Å
95	L	96	Very high	94.1	Very high	17 Å²	17	37.9 Å²	37.9	9%	0.089	18%	0.182	C	C	.	.	H	α-helix	trans	-60.5	-38.7	-177	-178.7	59.1	0	0	0	112.5	L90 F93 S98 N99 A139	L90-L95 HydrophobicContact CD1-CD2 4.26Å; F93-L95 HydrophobicContact CE2-CD1 4.42Å; F93-L95 PolarHBondContact O-N 3.16Å; L95-S98 WeakPolarHBondContact O-CB 3.37Å; L95-S98 PolarHBondContact O-N 2.81Å; L95-N99 WeakPolarHBondContact O-CB 3.24Å; L95-N99 PolarHBondContact O-N 2.93Å; L95-N99 PolarHBondContact O-ND2 3.23Å; L95-N99 PolarHBondContact O-OD1 3.03Å; L95-A139 HydrophobicContact CD1-CB 3.59Å
96	V	96.7	Very high	94	Very high	9 Å²	9	33.4 Å²	33.4	6%	0.055	17%	0.166	C	C	.	.	H	α-helix	trans	-61.4	-47.7	178.1	179.1	0	0	0	0	110.5	L76 L80 E83 N94 N99 L100	L76-V96 HydrophobicContact CD1-CB 4.38Å; L76-V96 HydrophobicContact CD1-CG1 4.32Å; L76-V96 HydrophobicContact CD2-CG1 3.97Å; L80-V96 HydrophobicContact CB-CG1 4.17Å; L80-V96 HydrophobicContact CD1-CG1 4.3Å; L80-V96 HydrophobicContact CD2-CG1 4.29Å; L80-V96 HydrophobicContact CG-CG1 4.49Å; E83-V96 HydrophobicContact CB-CG2 4.1Å; E83-V96 HydrophobicContact CG-CG2 3.75Å; N94-V96 VanDerWaalsContact C-N 3.3Å; N94-V96 PolarHBondContact O-N 2.79Å; N94-V96 PolarHBondContact OD1-N 3.25Å; V96-N99 PolarHBondContact O-N 3.34Å; V96-L100 HydrophobicContact CG1-CD1 4.35Å; V96-L100 WeakPolarHBondContact O-CG 3.17Å; V96-L100 PolarHBondContact O-N 3.48Å; V96-L100 VanDerWaalsContact O-N 3.1Å
97	V	96.2	Very high	94.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-60.7	-47.1	174.7	169	0	0	0	0	111.3	V74 L76 N94 N99 L100 I101 F257	V74-V97 HydrophobicContact CB-CB 4.49Å; V74-V97 HydrophobicContact CB-CG1 3.63Å; V74-V97 HydrophobicContact CB-CG2 4.16Å; V74-V97 HydrophobicContact CG1-CG1 4.13Å; V74-V97 HydrophobicContact CG1-CG2 4.01Å; V74-V97 HydrophobicContact CG2-CG1 3.94Å; L76-V97 HydrophobicContact CD1-CG2 3.9Å; L76-V97 HydrophobicContact CD2-CG2 3.59Å; L76-V97 HydrophobicContact CG-CG2 3.62Å; N94-V97 HydrophobicContact CB-CB 4.05Å; N94-V97 HydrophobicContact CB-CG2 4.18Å; N94-V97 VanDerWaalsContact ND2-CG2 3.27Å; N94-V97 WeakPolarHBondContact ND2-CG2 3.27Å; N94-V97 PolarHBondContact O-N 2.58Å; N94-V97 PolarHBondContact OD1-N 2.75Å; V97-N99 PolarHBondContact O-N 2.71Å; V97-L100 PolarHBondContact O-N 3.28Å; V97-I101 HydrophobicContact CG1-CD1 3.86Å; V97-I101 HydrophobicContact CG1-CG1 4.44Å; V97-I101 WeakPolarHBondContact O-CG1 3.49Å; V97-I101 PolarHBondContact O-N 3.13Å; V97-F257 HydrophobicContact CB-CD2 4.06Å; V97-F257 HydrophobicContact CG1-CB 3.7Å; V97-F257 HydrophobicContact CG1-CD2 3.54Å; V97-F257 HydrophobicContact CG1-CG 3.89Å
98	S	96.4	Very high	94	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-55.8	-36.9	178.8	-175.8	0	0	0	0	112.3	N94 L95 S141 R145 F257	N94-S98 PolarHBondContact O-N 3.49Å; L95-S98 WeakPolarHBondContact O-CB 3.37Å; L95-S98 PolarHBondContact O-N 2.81Å; S98-S141 WeakPolarHBondContact CB-OG 3.47Å; S98-S141 WeakPolarHBondContact O-CB 3.42Å; S98-S141 PolarHBondContact O-OG 2.88Å; S98-S141 PolarHBondContact OG-OG 3.29Å; S98-R145 PolarHBondContact O-NH1 2.91Å; S98-R145 PolarHBondContact OG-NH2 2.79Å; S98-F257 VanDerWaalsContact CB-CZ 3.44Å
99	N	95.6	Very high	94.1	Very high	69 Å²	69	32.7 Å²	32.7	37%	0.369	17%	0.165	S	C	.	.	H	α-helix	trans	-73.7	-34.9	178.8	-68.4	-15.3	0	0	0	112.5	L95 V96 V97 S141	L95-N99 WeakPolarHBondContact O-CB 3.24Å; L95-N99 PolarHBondContact O-N 2.93Å; L95-N99 PolarHBondContact O-ND2 3.23Å; L95-N99 PolarHBondContact O-OD1 3.03Å; V96-N99 PolarHBondContact O-N 3.34Å; V97-N99 PolarHBondContact O-N 2.71Å; N99-S141 WeakPolarHBondContact OD1-CB 3.13Å; N99-S141 PolarHBondContact OD1-OG 3Å
100	L	95.3	Very high	94.2	Very high	33 Å²	33	29.9 Å²	29.9	17%	0.173	15%	0.151	C	C	.	.	H	α-helix	trans	-70.9	-33.9	-179	-72.9	174	0	0	0	114	F67 V74 L76 L80 V96 V97 G102	F67-L100 HydrophobicContact CB-CB 4.16Å; F67-L100 HydrophobicContact CD2-CB 3.94Å; F67-L100 HydrophobicContact CD2-CD2 4.21Å; F67-L100 HydrophobicContact CE1-CD1 4.45Å; F67-L100 HydrophobicContact CE2-CB 4.49Å; F67-L100 HydrophobicContact CE2-CD2 3.96Å; F67-L100 HydrophobicContact CG-CB 4.01Å; F67-L100 HydrophobicContact CZ-CD1 4.47Å; F67-L100 HydrophobicContact CZ-CD2 4.43Å; V74-L100 HydrophobicContact CG1-CD1 4.36Å; L76-L100 HydrophobicContact CD2-CD1 3.59Å; L80-L100 HydrophobicContact CD1-CD1 4.06Å; V96-L100 HydrophobicContact CG1-CD1 4.35Å; V96-L100 WeakPolarHBondContact O-CG 3.17Å; V96-L100 PolarHBondContact O-N 3.48Å; V96-L100 VanDerWaalsContact O-N 3.1Å; V97-L100 PolarHBondContact O-N 3.28Å; L100-G102 PolarHBondContact O-N 2.95Å
101	I	92.7	Very high	94.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-18	-176.3	-69.9	173.4	0	0	0	113	S64 F67 V74 V97 R105 F257	S64-I101 WeakPolarHBondContact CA-O 3.39Å; S64-I101 VanDerWaalsContact CB-O 3.24Å; S64-I101 WeakPolarHBondContact CB-O 3.34Å; F67-I101 HydrophobicContact CB-CG1 4.49Å; F67-I101 WeakPolarHBondContact O-CA 3.44Å; V74-I101 HydrophobicContact CG2-CD1 3.79Å; V74-I101 HydrophobicContact CG2-CG1 3.61Å; V97-I101 HydrophobicContact CG1-CD1 3.86Å; V97-I101 HydrophobicContact CG1-CG1 4.44Å; V97-I101 WeakPolarHBondContact O-CG1 3.49Å; V97-I101 PolarHBondContact O-N 3.13Å; I101-R105 HydrophobicContact CG2-CB 3.61Å; I101-R105 HydrophobicContact CG2-CG 4.1Å; I101-F257 HydrophobicContact CD1-CB 3.24Å; I101-F257 HydrophobicContact CD1-CD1 4.23Å; I101-F257 HydrophobicContact CD1-CG 3.89Å
102	G	88.3	Confident	94.4	Very high	11 Å²	11	31.9 Å²	31.9	11%	0.113	16%	0.157	C	C	.	.			trans	75.5	179.5	-172.6	0	0	0	0	0	113	L100 R145	L100-G102 PolarHBondContact O-N 2.95Å; G102-R145 PolarHBondContact O-NH1 2.89Å
103	T	92.2	Very high	94.4	Very high	20 Å²	20	34.3 Å²	34.3	12%	0.123	18%	0.176	C	C	.	.	S	Bend	trans	-90.9	-17.6	-175.8	52.3	0	0	0	0	113.7	L144 R145	T103-L144 HydrophobicContact CG2-CB 3.77Å; T103-L144 HydrophobicContact CG2-CD1 4.26Å; T103-R145 WeakPolarHBondContact O-CA 2.93Å
104	R	93.7	Very high	94.4	Very high	117 Å²	117	35.8 Å²	35.8	44%	0.442	19%	0.186	S	C	.	.	S	Bend	trans	-126.3	46.8	-171.9	-67.6	-174.7	174	-164.6	-11.6	112.4	N106 H148 D152	R104-N106 PolarHBondContact O-N 3.26Å; R104-H148 HydrophobicContact CG-CB 4.02Å; R104-H148 PolarHBondContact NE-ND1 2.75Å; R104-H148 VanDerWaalsContact NE-ND1 3.11Å; R104-H148 PolarHBondContact NH2-CE1 2.83Å; R104-H148 PolarHBondContact NH2-ND1 3.07Å; R104-H148 VanDerWaalsContact NH2-ND1 3.11Å; R104-D152 IonicContact CZ-OD1 3.5Å; R104-D152 IonicContact CZ-OD2 3.77Å; R104-D152 IonicContact NE-OD2 3.92Å; R104-D152 PolarHBondContact NE-OD2 3.21Å; R104-D152 IonicContact NH2-OD1 2.98Å
105	R	92.6	Very high	94.4	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.008	19%	0.187	C	C	.	.			trans	-56.1	133.5	176.2	166.9	172.3	64.4	168.9	6.1	112.1	G68 I101 L107 R153 E224 F257	G68-R105 WeakPolarHBondContact O-CD 3.19Å; G68-R105 PolarHBondContact O-NH1 3.2Å; I101-R105 HydrophobicContact CG2-CB 3.61Å; I101-R105 HydrophobicContact CG2-CG 4.1Å; R105-L107 HydrophobicContact CG-CD2 4.37Å; R105-R153 PolarHBondContact O-NH2 3.49Å; R105-E224 IonicContact CZ-OE1 3.48Å; R105-E224 IonicContact CZ-OE2 3.62Å; R105-E224 IonicContact NE-OE1 3.92Å; R105-E224 IonicContact NE-OE2 3.53Å; R105-E224 PolarHBondContact NE-OE2 3.42Å; R105-E224 IonicContact NH2-OE1 2.7Å; R105-E224 PolarHBondContact NH2-OE1 3.19Å; R105-E224 IonicContact NH2-OE2 3.11Å; R105-E224 PolarHBondContact NH2-OE2 3.44Å; R105-E224 VanDerWaalsContact NH2-OE2 3.12Å; R105-F257 PolarHBondContact NH1-O 3.06Å; R105-F257 PolarHBondContact NH2-O 3.38Å
106	N	92.5	Very high	94.1	Very high	72 Å²	72	41.7 Å²	41.7	39%	0.385	21%	0.208	S	C	.	.			trans	-69.7	142.1	169.6	-55.7	-55.8	0	0	0	111.3	D69 M70 R104	D69-N106 WeakPolarHBondContact OD1-CB 3.38Å; D69-N106 PolarHBondContact OD1-ND2 3.2Å; M70-N106 VanDerWaalsContact CA-O 3.29Å; M70-N106 WeakPolarHBondContact CA-O 3.37Å; M70-N106 PolarHBondContact N-O 3.17Å; M70-N106 HydrophobicContact SD-CB 3.6Å; R104-N106 PolarHBondContact O-N 3.26Å
107	L	94.7	Very high	93.6	Very high	13 Å²	13	47.9 Å²	47.9	7%	0.068	24%	0.236	C	C	.	.			trans	-136.3	145.3	175	-66	176.7	0	0	0	108.2	R105 F110 E224 T226 Y259	R105-L107 HydrophobicContact CG-CD2 4.37Å; L107-F110 HydrophobicContact CB-CE2 4.14Å; L107-F110 HydrophobicContact CD2-CE2 4.4Å; L107-E224 HydrophobicContact CD1-CB 4.12Å; L107-T226 HydrophobicContact CD1-CG2 4.4Å; L107-Y259 HydrophobicContact CD1-CD2 4.01Å; L107-Y259 HydrophobicContact CD1-CE2 3.82Å; L107-Y259 HydrophobicContact CD2-CD2 3.87Å; L107-Y259 HydrophobicContact CD2-CE2 4.47Å; L107-Y259 HydrophobicContact CD2-CG 4.2Å
108	D	92.4	Very high	93.1	Very high	86 Å²	86	56.7 Å²	56.7	46%	0.46	28%	0.277	S	S	.	.			trans	-69.4	164.4	174.2	-91.7	-41.7	0	0	0	112.1	M70 F110	M70-D108 HydrophobicContact CE-CB 3.9Å; M70-D108 WeakPolarHBondContact CE-OD1 3.36Å; M70-D108 VanDerWaalsContact CE-OD2 3.32Å; M70-D108 WeakPolarHBondContact CE-OD2 3.44Å; D108-F110 HydrophobicContact CB-CD1 3.99Å; D108-F110 HydrophobicContact CB-CE1 3.62Å; D108-F110 HydrophobicContact CB-CE2 4.43Å; D108-F110 HydrophobicContact CB-CZ 3.86Å; D108-F110 WeakPolarHBondContact O-CD2 3.27Å; D108-F110 PolarHBondContact O-N 2.97Å; D108-F110 VanDerWaalsContact O-N 3.15Å
109	D	94.7	Very high	92.8	Very high	39 Å²	39	58.3 Å²	58.3	21%	0.209	29%	0.285	C	S	.	.			trans	-79.5	88.6	164.6	-172.9	-3.6	0	0	0	110.3	R111 R116	D109-R111 PolarHBondContact O-N 3.07Å; D109-R111 WeakPolarHBondContact OD1-CB 3.48Å; D109-R111 WeakPolarHBondContact OD1-CG 3.33Å; D109-R111 IonicContact OD1-CZ 3.58Å; D109-R111 PolarHBondContact OD1-N 3.42Å; D109-R111 IonicContact OD1-NE 2.67Å; D109-R111 PolarHBondContact OD1-NE 2.76Å; D109-R111 IonicContact OD1-NH2 2.91Å; D109-R111 IonicContact OD2-CZ 2.66Å; D109-R111 IonicContact OD2-NE 3.01Å; D109-R111 PolarHBondContact OD2-NE 3.34Å; D109-R111 IonicContact OD2-NH2 3.43Å; D109-R111 PolarHBondContact OD2-NH2 3.5Å; D109-R116 PolarHBondContact O-NH2 2.65Å; D109-R116 IonicContact OD2-NE 2.84Å
110	F	94.3	Very high	92.6	Very high	42 Å²	42	58 Å²	58	18%	0.184	29%	0.287	C	S	.	.			trans	-75.3	0.1	-179.1	-58.2	-61.9	0	0	0	114.7	L107 D108 T226 Y259 L261	L107-F110 HydrophobicContact CB-CE2 4.14Å; L107-F110 HydrophobicContact CD2-CE2 4.4Å; D108-F110 HydrophobicContact CB-CD1 3.99Å; D108-F110 HydrophobicContact CB-CE1 3.62Å; D108-F110 HydrophobicContact CB-CE2 4.43Å; D108-F110 HydrophobicContact CB-CZ 3.86Å; D108-F110 WeakPolarHBondContact O-CD2 3.27Å; D108-F110 PolarHBondContact O-N 2.97Å; D108-F110 VanDerWaalsContact O-N 3.15Å; F110-T226 HydrophobicContact CD2-CG2 4.27Å; F110-Y259 HydrophobicContact CD2-CD1 4.01Å; F110-Y259 AromaticContact CD2-CE1 3.62Å; F110-Y259 HydrophobicContact CD2-CE1 3.62Å; F110-Y259 AromaticContact CE2-CD1 3.54Å; F110-Y259 HydrophobicContact CE2-CD1 3.54Å; F110-Y259 AromaticContact CE2-CE1 3.59Å; F110-Y259 HydrophobicContact CE2-CE1 3.59Å; F110-Y259 HydrophobicContact CE2-CG 4.15Å; F110-Y259 HydrophobicContact CZ-CD1 4.02Å; F110-Y259 HydrophobicContact CZ-CE1 4.46Å; F110-L261 HydrophobicContact CB-CD1 4.37Å; F110-L261 HydrophobicContact CB-CD2 3.66Å; F110-L261 HydrophobicContact CD1-CD1 4.06Å; F110-L261 HydrophobicContact CD1-CD2 3.65Å; F110-L261 HydrophobicContact CD1-CG 4.37Å; F110-L261 HydrophobicContact CD2-CD2 3.93Å; F110-L261 HydrophobicContact CE1-CD2 4.21Å; F110-L261 HydrophobicContact CE2-CD2 4.47Å; F110-L261 HydrophobicContact CG-CD1 4.48Å; F110-L261 HydrophobicContact CG-CD2 3.48Å; F110-L261 VanDerWaalsContact CG-CD2 3.48Å
111	R	94.9	Very high	92.6	Very high	29 Å²	29	59 Å²	59	11%	0.109	29%	0.293	C	S	.	.	S	Bend	trans	-69.9	146.4	179.8	-60	173.6	-63.9	166.2	0.5	110.4	D109 C115 I227 C350	D109-R111 PolarHBondContact O-N 3.07Å; D109-R111 WeakPolarHBondContact OD1-CB 3.48Å; D109-R111 WeakPolarHBondContact OD1-CG 3.33Å; D109-R111 IonicContact OD1-CZ 3.58Å; D109-R111 PolarHBondContact OD1-N 3.42Å; D109-R111 IonicContact OD1-NE 2.67Å; D109-R111 PolarHBondContact OD1-NE 2.76Å; D109-R111 IonicContact OD1-NH2 2.91Å; D109-R111 IonicContact OD2-CZ 2.66Å; D109-R111 IonicContact OD2-NE 3.01Å; D109-R111 PolarHBondContact OD2-NE 3.34Å; D109-R111 IonicContact OD2-NH2 3.43Å; D109-R111 PolarHBondContact OD2-NH2 3.5Å; R111-C115 HydrophobicContact CB-CB 3.93Å; R111-I227 PolarHBondContact NE-O 3.2Å; R111-C350 WeakPolarHBondContact CD-O 3.37Å; R111-C350 WeakPolarHBondContact CG-O 3.38Å
112	H	95.5	Very high	92.7	Very high	75 Å²	75	63.9 Å²	63.9	35%	0.347	32%	0.319	S	S	.	.			trans	-55.9	144.2	172	-174.1	-93.5	0	0	0	110.2	S114 C115 H293	H112-S114 PolarHBondContact CE1-OG 2.97Å; H112-S114 PolarHBondContact ND1-N 3.03Å; H112-S114 PolarHBondContact ND1-OG 3.28Å; H112-S114 PolarHBondContact O-N 3.26Å; H112-S114 VanDerWaalsContact O-N 3.07Å; H112-C115 VanDerWaalsContact O-CB 3.26Å; H112-C115 WeakPolarHBondContact O-CB 3.41Å; H112-C115 PolarHBondContact O-N 3.37Å; H112-H293 HydrophobicContact CB-CB 4.26Å
113	P	95.5	Very high	92.9	Very high	83 Å²	83	70.2 Å²	70.2	54%	0.539	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-52.7	-33	-178.3	-31.4	37.2	0	0	0	115.1	C115 R116	P113-C115 PolarHBondContact O-N 3.48Å; P113-R116 PolarHBondContact O-N 2.95Å
114	S	95.6	Very high	93.2	Very high	30 Å²	30	69.3 Å²	69.3	21%	0.21	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-69.5	-6.1	176.1	66	0	0	0	0	114.8	H112 H117 N294	H112-S114 PolarHBondContact CE1-OG 2.97Å; H112-S114 PolarHBondContact ND1-N 3.03Å; H112-S114 PolarHBondContact ND1-OG 3.28Å; H112-S114 PolarHBondContact O-N 3.26Å; H112-S114 VanDerWaalsContact O-N 3.07Å; S114-H117 PolarHBondContact O-CD2 3.1Å; S114-H117 PolarHBondContact O-NE2 3.2Å; S114-N294 PolarHBondContact O-ND2 3.27Å; S114-N294 WeakPolarHBondContact OG-CB 3.13Å
115	C	95.8	Very high	93.4	Very high	7 Å²	7	67.6 Å²	67.6	5%	0.047	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-96.3	-8.2	175.5	-68.9	0	0	0	0	113.5	R111 H112 P113 H117 C350	R111-C115 HydrophobicContact CB-CB 3.93Å; H112-C115 VanDerWaalsContact O-CB 3.26Å; H112-C115 WeakPolarHBondContact O-CB 3.41Å; H112-C115 PolarHBondContact O-N 3.37Å; P113-C115 PolarHBondContact O-N 3.48Å; C115-H117 PolarHBondContact O-N 3.25Å; C115-H117 VanDerWaalsContact O-N 3.13Å; C115-C350 VanDerWaalsContact CA-SG 3.57Å; C115-C350 HydrophobicContact CB-CB 3.5Å; C115-C350 WeakPolarHBondContact CB-SG 2.97Å; C115-C350 WeakPolarHBondContact SG-CA 3.26Å; C115-C350 WeakPolarHBondContact SG-CB 3.39Å; C115-C350 CovalentContact SG-SG 2.04Å; C115-C350 PolarHBondContact SG-SG 2.68Å
116	R	90	Very high	93.7	Very high	138 Å²	138	71.6 Å²	71.6	52%	0.521	36%	0.363	S	S	.	.			trans	-81.7	13.9	-170.6	-61.9	-176.8	-177	175.8	-3.4	114.3	D109 P113	D109-R116 PolarHBondContact O-NH2 2.65Å; D109-R116 IonicContact OD2-NE 2.84Å; P113-R116 PolarHBondContact O-N 2.95Å
117	H	87.8	Confident	93.9	Very high	139 Å²	139	69.2 Å²	69.2	64%	0.644	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-74.9	139.2	177.7	-56.9	-63.5	0	0	0	111.2	S114 C115 I119	S114-H117 PolarHBondContact O-CD2 3.1Å; S114-H117 PolarHBondContact O-NE2 3.2Å; C115-H117 PolarHBondContact O-N 3.25Å; C115-H117 VanDerWaalsContact O-N 3.13Å; H117-I119 PolarHBondContact O-N 3.07Å
118	Q	84	Confident	94.1	Very high	186 Å²	186	71.8 Å²	71.8	87%	0.869	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-74.2	124.2	179.1	-168.4	166.6	17.5	0	0	110.7
119	I	90.6	Very high	94.4	Very high	34 Å²	34	67.7 Å²	67.7	17%	0.174	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-87.5	126.1	173.9	-59.9	171.5	0	0	0	108.5	H117 L121 L124 E231 T232 K235	H117-I119 PolarHBondContact O-N 3.07Å; I119-L121 PolarHBondContact O-N 3.28Å; I119-L121 VanDerWaalsContact O-N 3.08Å; I119-L124 HydrophobicContact CG2-CD1 3.74Å; I119-L124 HydrophobicContact CG2-CD2 4.45Å; I119-L124 HydrophobicContact CG2-CG 4.13Å; I119-E231 HydrophobicContact CD1-CB 3.97Å; I119-T232 HydrophobicContact CD1-CG2 3.54Å; I119-K235 HydrophobicContact CD1-CB 4.28Å; I119-K235 HydrophobicContact CD1-CD 4Å; I119-K235 HydrophobicContact CG1-CD 4.39Å
120	P	92.4	Very high	94.6	Very high	63 Å²	63	65.8 Å²	65.8	41%	0.409	33%	0.328	S	S	.	.			trans	-60.8	113.1	175.2	-21.9	33	0	0	0	110.9	D122 K123	P120-D122 VanDerWaalsContact C-N 3.25Å; P120-D122 VanDerWaalsContact C-OD1 3.28Å; P120-D122 WeakPolarHBondContact CB-OD1 3.46Å; P120-D122 PolarHBondContact O-N 2.94Å; P120-K123 HydrophobicContact CB-CD 4.48Å; P120-K123 HydrophobicContact CB-CG 4.45Å; P120-K123 PolarHBondContact O-N 3.46Å
121	L	93.7	Very high	94.8	Very high	54 Å²	54	63.8 Å²	63.8	28%	0.283	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-66.4	-28.6	-174	-61.3	-178.6	0	0	0	112.5	I119 K123 L124 L125 P155 L158 E231	I119-L121 PolarHBondContact O-N 3.28Å; I119-L121 VanDerWaalsContact O-N 3.08Å; L121-K123 PolarHBondContact O-N 3.22Å; L121-L124 CarbonylContact O-C 3.51Å; L121-L124 WeakPolarHBondContact O-CA 3.39Å; L121-L124 PolarHBondContact O-N 2.93Å; L121-L125 WeakPolarHBondContact O-CG 3.45Å; L121-L125 PolarHBondContact O-N 3.41Å; L121-P155 HydrophobicContact CD1-CB 4.1Å; L121-P155 HydrophobicContact CD2-CB 4.42Å; L121-P155 HydrophobicContact CD2-CG 4.22Å; L121-L158 HydrophobicContact CD2-CD1 3.8Å; L121-L158 HydrophobicContact CD2-CG 4.43Å; L121-E231 HydrophobicContact CD2-CG 4.1Å
122	D	95	Very high	95	Very high	102 Å²	102	62.5 Å²	62.5	55%	0.545	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-54.1	-39.2	176.5	58.4	-59	0	0	0	112.2	P120 L124 L125	P120-D122 VanDerWaalsContact C-N 3.25Å; P120-D122 VanDerWaalsContact C-OD1 3.28Å; P120-D122 WeakPolarHBondContact CB-OD1 3.46Å; P120-D122 PolarHBondContact O-N 2.94Å; D122-L124 VanDerWaalsContact C-N 3.26Å; D122-L124 PolarHBondContact O-N 3.44Å; D122-L125 PolarHBondContact O-N 3.2Å
123	K	94	Very high	95.2	Very high	143 Å²	143	58.9 Å²	58.9	62%	0.622	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-70.3	-22.6	176.8	-63.4	-174.3	178.6	-178.3	0	113.2	P120 L121	P120-K123 HydrophobicContact CB-CD 4.48Å; P120-K123 HydrophobicContact CB-CG 4.45Å; P120-K123 PolarHBondContact O-N 3.46Å; L121-K123 PolarHBondContact O-N 3.22Å
124	L	97.7	Very high	95.3	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.01	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-15.1	-178.3	-56.9	-175.2	0	0	0	113.1	I119 L121 D122 P126 F127 L158 E231 L234 K235	I119-L124 HydrophobicContact CG2-CD1 3.74Å; I119-L124 HydrophobicContact CG2-CD2 4.45Å; I119-L124 HydrophobicContact CG2-CG 4.13Å; L121-L124 CarbonylContact O-C 3.51Å; L121-L124 WeakPolarHBondContact O-CA 3.39Å; L121-L124 PolarHBondContact O-N 2.93Å; D122-L124 VanDerWaalsContact C-N 3.26Å; D122-L124 PolarHBondContact O-N 3.44Å; L124-P126 VanDerWaalsContact C-N 3.29Å; L124-F127 WeakPolarHBondContact O-CA 3.48Å; L124-F127 PolarHBondContact O-N 2.81Å; L124-L158 HydrophobicContact CB-CD1 4.3Å; L124-L158 HydrophobicContact CB-CD2 3.58Å; L124-L158 HydrophobicContact CD1-CD1 4Å; L124-E231 HydrophobicContact CD1-CB 4.11Å; L124-E231 WeakPolarHBondContact CD1-O 3.44Å; L124-L234 HydrophobicContact CD1-CB 4.34Å; L124-L234 HydrophobicContact CD2-CB 4.19Å; L124-K235 HydrophobicContact CD2-CB 4.19Å
125	L	97.8	Very high	95.3	Very high	81 Å²	81	54.4 Å²	54.4	42%	0.424	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-53.2	-34.6	179.4	-65.1	-179	0	0	0	114.5	L121 D122 F127 K128 Q157 L158	L121-L125 WeakPolarHBondContact O-CG 3.45Å; L121-L125 PolarHBondContact O-N 3.41Å; D122-L125 PolarHBondContact O-N 3.2Å; L125-F127 PolarHBondContact O-N 3.12Å; L125-K128 VanDerWaalsContact O-CG 3.32Å; L125-K128 WeakPolarHBondContact O-CG 3.37Å; L125-Q157 HydrophobicContact CD2-CB 3.65Å; L125-L158 HydrophobicContact CD2-CD2 4.24Å
126	P	98	Very high	95.3	Very high	86 Å²	86	56.1 Å²	56.1	56%	0.558	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-66.9	-15.1	174.9	-23.4	35.9	0	0	0	114.3	L124 K214	L124-P126 VanDerWaalsContact C-N 3.29Å; P126-K214 WeakPolarHBondContact O-CB 3.44Å; P126-K214 WeakPolarHBondContact O-CG 3.33Å
127	F	98.4	Very high	95.6	Very high	22 Å²	22	51.3 Å²	51.3	10%	0.096	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-110.4	24.1	-171.2	-64.9	-84	0	0	0	113.5	L124 L125 T129 K214 T215 L234 I237 Q241	L124-F127 WeakPolarHBondContact O-CA 3.48Å; L124-F127 PolarHBondContact O-N 2.81Å; L125-F127 PolarHBondContact O-N 3.12Å; F127-T129 PolarHBondContact O-N 2.99Å; F127-K214 HydrophobicContact CD1-CG 4.18Å; F127-T215 HydrophobicContact CB-CG2 4.1Å; F127-T215 HydrophobicContact CD1-CG2 4.22Å; F127-T215 WeakPolarHBondContact O-CG2 3.37Å; F127-T215 PolarHBondContact O-OG1 3.24Å; F127-L234 HydrophobicContact CB-CD2 4.41Å; F127-L234 WeakPolarHBondContact O-CD2 3.27Å; F127-I237 HydrophobicContact CD1-CG2 4.05Å; F127-I237 HydrophobicContact CE1-CG2 4.37Å; F127-Q241 HydrophobicContact CE1-CG 3.88Å; F127-Q241 HydrophobicContact CZ-CG 4.42Å
128	K	98.3	Very high	96	Very high	66 Å²	66	45.2 Å²	45.2	29%	0.287	23%	0.23	S	C	.	.			trans	-48.3	137.8	178.8	-59.8	-173.1	62.1	176.4	0	112.4	L125 Q157 L158 L159 H160 K214 T215	L125-K128 VanDerWaalsContact O-CG 3.32Å; L125-K128 WeakPolarHBondContact O-CG 3.37Å; K128-Q157 VanDerWaalsContact CD-O 3.24Å; K128-Q157 WeakPolarHBondContact CD-O 3.33Å; K128-Q157 WeakPolarHBondContact CE-O 3.26Å; K128-Q157 WeakPolarHBondContact CG-O 3.5Å; K128-L158 CarbonylContact C-O 3.57Å; K128-L158 VanDerWaalsContact CA-O 3.23Å; K128-L158 WeakPolarHBondContact CA-O 3.2Å; K128-L158 WeakPolarHBondContact CB-O 3.34Å; K128-L159 VanDerWaalsContact CE-O 3.29Å; K128-L159 WeakPolarHBondContact CE-O 3.26Å; K128-L159 PolarHBondContact NZ-O 3.15Å; K128-H160 HydrophobicContact CB-CB 3.99Å; K128-K214 PolarHBondContact O-N 3.39Å; K128-T215 PolarHBondContact O-N 3.26Å; K128-T215 PolarHBondContact O-OG1 2.74Å
129	T	98.8	Very high	96.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	139.1	-172.7	-168.1	0	0	0	0	113.5	F127 V131 L158 H160 T215 T217 L230	F127-T129 PolarHBondContact O-N 2.99Å; T129-V131 HydrophobicContact CG2-CG2 3.85Å; T129-L158 PolarHBondContact N-O 2.87Å; T129-H160 WeakPolarHBondContact O-CA 3.36Å; T129-H160 WeakPolarHBondContact O-CB 3.31Å; T129-H160 PolarHBondContact O-N 2.79Å; T129-T215 WeakPolarHBondContact CA-O 3.46Å; T129-T215 WeakPolarHBondContact CA-OG1 3.35Å; T129-T215 WeakPolarHBondContact CB-OG1 3.38Å; T129-T215 PolarHBondContact N-OG1 2.89Å; T129-T215 PolarHBondContact OG1-O 2.84Å; T129-T215 PolarHBondContact OG1-OG1 3.48Å; T129-T217 WeakPolarHBondContact OG1-CB 3.34Å; T129-T217 PolarHBondContact OG1-N 2.85Å; T129-T217 PolarHBondContact OG1-OG1 3.03Å; T129-L230 HydrophobicContact CG2-CD1 3.93Å; T129-L230 HydrophobicContact CG2-CD2 3.58Å; T129-L230 HydrophobicContact CG2-CG 4.41Å
130	S	98.9	Very high	96.9	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	113.7	157.5	-58.2	0	0	0	0	108.8	E161 G213 T215 T217	S130-E161 WeakPolarHBondContact CA-O 3.31Å; S130-E161 WeakPolarHBondContact OG-CG 3.35Å; S130-E161 PolarHBondContact OG-OE1 3.25Å; S130-G213 VanDerWaalsContact OG-CA 3.3Å; S130-G213 WeakPolarHBondContact OG-CA 3.37Å; S130-G213 PolarHBondContact OG-N 3.49Å; S130-T215 PolarHBondContact N-O 3.08Å; S130-T217 PolarHBondContact O-N 2.96Å
131	V	98.9	Very high	97.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	118.4	175.6	-176.3	0	0	0	0	108.6	T129 I133 V150 L159 E161 I162 I163 T217 L219	T129-V131 HydrophobicContact CG2-CG2 3.85Å; V131-I133 HydrophobicContact CG1-CD1 4.3Å; V131-I133 HydrophobicContact CG1-CG1 4.17Å; V131-V150 HydrophobicContact CB-CG1 4.49Å; V131-V150 HydrophobicContact CG1-CG1 4.36Å; V131-V150 HydrophobicContact CG1-CG2 4.44Å; V131-V150 HydrophobicContact CG2-CG1 4.04Å; V131-L159 HydrophobicContact CG2-CD1 3.71Å; V131-E161 PolarHBondContact N-O 3.49Å; V131-I162 HydrophobicContact CB-CG1 4.33Å; V131-I162 CarbonylContact O-C 3.54Å; V131-I162 WeakPolarHBondContact O-CA 3.33Å; V131-I163 PolarHBondContact O-N 3.22Å; V131-T217 CarbonylContact C-O 3.53Å; V131-T217 VanDerWaalsContact CA-O 3.31Å; V131-T217 WeakPolarHBondContact CA-O 3.43Å; V131-L219 HydrophobicContact CG1-CD1 3.73Å; V131-L219 HydrophobicContact CG1-CG 4.19Å
132	I	98.8	Very high	97.3	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	116	-177.9	-61.5	159.3	0	0	0	108.1	V134 V165 A208 L216 T217 F218 L219	I132-V134 HydrophobicContact CG2-CG2 4.39Å; I132-V165 HydrophobicContact CG2-CG2 4.14Å; I132-A208 HydrophobicContact CD1-CB 4.17Å; I132-L216 HydrophobicContact CD1-CB 4.37Å; I132-L216 HydrophobicContact CD1-CD2 4.19Å; I132-T217 PolarHBondContact N-O 2.85Å; I132-F218 HydrophobicContact CB-CD1 3.98Å; I132-F218 HydrophobicContact CB-CE1 4.19Å; I132-F218 HydrophobicContact CD1-CD1 4.24Å; I132-F218 HydrophobicContact CD1-CE1 3.67Å; I132-F218 HydrophobicContact CD1-CZ 4Å; I132-F218 HydrophobicContact CG2-CD1 4.07Å; I132-F218 HydrophobicContact CG2-CE1 4.14Å; I132-L219 PolarHBondContact O-N 2.98Å
133	I	98.8	Very high	97.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	112.5	178.1	-61.4	162.8	0	0	0	107.8	V131 L143 T146 V147 I162 I163 L164 V165 L219 A221	V131-I133 HydrophobicContact CG1-CD1 4.3Å; V131-I133 HydrophobicContact CG1-CG1 4.17Å; I133-L143 HydrophobicContact CG2-CD1 4.21Å; I133-T146 HydrophobicContact CD1-CG2 3.89Å; I133-T146 HydrophobicContact CG1-CG2 4.47Å; I133-V147 HydrophobicContact CD1-CG2 4.35Å; I133-I162 HydrophobicContact CD1-CG2 3.89Å; I133-I163 PolarHBondContact N-O 3.24Å; I133-L164 HydrophobicContact CB-CD2 3.79Å; I133-L164 HydrophobicContact CD1-CD2 3.86Å; I133-L164 HydrophobicContact CG1-CD2 4.38Å; I133-L164 HydrophobicContact CG2-CD2 4.2Å; I133-L164 CarbonylContact O-C 3.22Å; I133-L164 WeakPolarHBondContact O-CA 3.15Å; I133-V165 PolarHBondContact O-N 2.76Å; I133-L219 WeakPolarHBondContact CA-O 3.37Å; I133-L219 HydrophobicContact CG1-CB 4.05Å; I133-A221 HydrophobicContact CG2-CB 3.76Å
134	V	97.5	Very high	97.7	Very high	12 Å²	12	19.7 Å²	19.7	7%	0.073	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	137	176.3	175.1	0	0	0	0	109.7	I132 V165 L200 A203 R204	I132-V134 HydrophobicContact CG2-CG2 4.39Å; V134-V165 WeakPolarHBondContact CA-O 3.06Å; V134-V165 HydrophobicContact CG2-CB 4.07Å; V134-L200 HydrophobicContact CB-CD1 3.94Å; V134-L200 HydrophobicContact CG1-CD1 3.87Å; V134-A203 HydrophobicContact CB-CB 4.34Å; V134-A203 HydrophobicContact CG1-CB 3.43Å; V134-A203 VanDerWaalsContact CG1-CB 3.43Å; V134-A203 HydrophobicContact CG2-CB 3.9Å; V134-R204 HydrophobicContact CG2-CB 4.39Å; V134-R204 HydrophobicContact CG2-CG 3.59Å
135	F	96.9	Very high	97.7	Very high	6 Å²	6	19.9 Å²	19.9	3%	0.026	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	152.8	176	67.9	-78	0	0	0	112.4	E138 L143 L164 V165 D166 D167 L174 L178 A221	F135-E138 HydrophobicContact CB-CB 3.92Å; F135-E138 HydrophobicContact CD2-CB 4.39Å; F135-L143 HydrophobicContact CD1-CD1 4.21Å; F135-L143 HydrophobicContact CD2-CD2 4.08Å; F135-L143 HydrophobicContact CE2-CD2 4.05Å; F135-L143 HydrophobicContact CG-CD1 4.28Å; F135-L143 HydrophobicContact CG-CD2 4.31Å; F135-L143 HydrophobicContact CZ-CD2 4.26Å; F135-L164 HydrophobicContact CE1-CB 3.8Å; F135-V165 WeakPolarHBondContact CD1-O 3.44Å; F135-V165 PolarHBondContact N-O 3.29Å; F135-D166 HydrophobicContact CE1-CB 3.85Å; F135-D166 HydrophobicContact CE2-CB 3.89Å; F135-D166 HydrophobicContact CZ-CB 3.42Å; F135-D166 VanDerWaalsContact CZ-CB 3.42Å; F135-D167 PolarHBondContact O-N 2.8Å; F135-L174 HydrophobicContact CD2-CD1 4.11Å; F135-L174 HydrophobicContact CD2-CD2 4.33Å; F135-L174 HydrophobicContact CE2-CB 4.28Å; F135-L174 HydrophobicContact CE2-CD1 4.07Å; F135-L174 HydrophobicContact CE2-CD2 3.95Å; F135-L174 HydrophobicContact CE2-CG 4.31Å; F135-L178 HydrophobicContact CE2-CD2 4.04Å; F135-L178 HydrophobicContact CZ-CD2 3.66Å; F135-A221 HydrophobicContact CB-CB 3.66Å
136	H	95.1	Very high	97.7	Very high	44 Å²	44	16 Å²	16	20%	0.204	8%	0.082	C	C	.	.	S	Bend	trans	-142.8	120.1	169.5	176	78.7	0	0	0	108.2	E138 D167 A168 S169	H136-E138 PolarHBondContact O-N 3.49Å; H136-E138 VanDerWaalsContact O-N 3.12Å; H136-D167 HydrophobicContact CB-CB 4.33Å; H136-D167 PolarHBondContact ND1-O 3.22Å; H136-A168 PolarHBondContact CE1-O 3.3Å; H136-A168 PolarHBondContact ND1-O 3.39Å; H136-S169 WeakPolarHBondContact CA-OG 3.48Å
137	N	95.4	Very high	97.7	Very high	37 Å²	37	12 Å²	12	20%	0.198	6%	0.056	C	C	.	.	S	Bend	trans	51.5	33.8	-179.5	-71.1	-16.9	0	0	0	114	N91 S169 T170 Q171	N91-N137 PolarHBondContact ND2-O 3.49Å; N91-N137 VanDerWaalsContact ND2-O 3.15Å; N137-S169 PolarHBondContact N-OG 3.11Å; N137-S169 WeakPolarHBondContact OD1-CA 3.35Å; N137-S169 WeakPolarHBondContact OD1-CB 3.29Å; N137-T170 PolarHBondContact ND2-OG1 2.89Å; N137-T170 PolarHBondContact OD1-N 3.11Å; N137-T170 PolarHBondContact OD1-OG1 3.48Å; N137-Q171 HydrophobicContact CB-CG 3.98Å; N137-Q171 WeakPolarHBondContact OD1-CG 3.31Å; N137-Q171 PolarHBondContact OD1-N 2.86Å
138	E	96.7	Very high	97.7	Very high	10 Å²	10	11.1 Å²	11.1	5%	0.047	5%	0.052	C	C	.	.			trans	-72.7	150.8	-178.4	-170.9	62.2	-76.9	0	0	112.5	N91 F135 H136 W140 L143 H173 A221 H222 R358	N91-E138 PolarHBondContact ND2-OE1 3.48Å; F135-E138 HydrophobicContact CB-CB 3.92Å; F135-E138 HydrophobicContact CD2-CB 4.39Å; H136-E138 PolarHBondContact O-N 3.49Å; H136-E138 VanDerWaalsContact O-N 3.12Å; E138-W140 PolarHBondContact O-N 3.15Å; E138-L143 HydrophobicContact CG-CB 4.12Å; E138-H173 PolarHBondContact O-NE2 2.69Å; E138-A221 HydrophobicContact CB-CB 4.49Å; E138-A221 HydrophobicContact CG-CB 3.87Å; E138-H222 IonicContact OE2-CE1 3.93Å; E138-H222 IonicContact OE2-CG 3.13Å; E138-H222 IonicContact OE2-ND1 3.02Å; E138-H222 PolarHBondContact OE2-ND1 2.98Å; E138-R358 VanDerWaalsContact CD-NH2 3.28Å; E138-R358 IonicContact OE1-CZ 3.5Å; E138-R358 IonicContact OE1-NH2 2.83Å; E138-R358 PolarHBondContact OE1-NH2 3.02Å; E138-R358 IonicContact OE2-CZ 3.71Å; E138-R358 IonicContact OE2-NH2 3.95Å; E138-R358 PolarHBondContact OE2-NH2 3.44Å
139	A	96.8	Very high	97.7	Very high	3 Å²	3	8.1 Å²	8.1	3%	0.025	4%	0.04	C	C	.	.			trans	-62.7	134.2	174.8	0	0	0	0	0	110.7	N91 F93 L95 S141 A142 L143	N91-A139 PolarHBondContact ND2-N 3.15Å; N91-A139 VanDerWaalsContact ND2-N 3.15Å; F93-A139 HydrophobicContact CE2-CB 3.94Å; F93-A139 HydrophobicContact CZ-CB 3.57Å; L95-A139 HydrophobicContact CD1-CB 3.59Å; A139-S141 VanDerWaalsContact C-N 3.32Å; A139-S141 PolarHBondContact O-N 3.39Å; A139-A142 HydrophobicContact CB-CB 4.12Å; A139-A142 PolarHBondContact O-N 3.04Å; A139-L143 WeakPolarHBondContact O-CB 3.19Å; A139-L143 PolarHBondContact O-N 3.44Å
140	W	97.6	Very high	97.7	Very high	35 Å²	35	8.1 Å²	8.1	13%	0.133	4%	0.04	C	C	.	.	H	α-helix	trans	-51.4	-49.4	177.9	178	-98.5	0	0	0	112.5	E138 L144 H173 Q177 L178 Y181	E138-W140 PolarHBondContact O-N 3.15Å; W140-L144 HydrophobicContact CD2-CD1 3.98Å; W140-L144 HydrophobicContact CD2-CG 4.31Å; W140-L144 HydrophobicContact CG-CD1 4.42Å; W140-L144 HydrophobicContact CH2-CD1 4.23Å; W140-L144 HydrophobicContact CZ2-CD1 3.47Å; W140-L144 VanDerWaalsContact CZ2-CD1 3.47Å; W140-L144 HydrophobicContact CZ2-CG 4.41Å; W140-L144 VanDerWaalsContact NE1-CD1 3.35Å; W140-L144 WeakPolarHBondContact O-CB 3.42Å; W140-L144 WeakPolarHBondContact O-CG 3.45Å; W140-L144 PolarHBondContact O-N 3.01Å; W140-H173 HydrophobicContact CE3-CB 4.26Å; W140-H173 VanDerWaalsContact CZ3-O 3.23Å; W140-H173 WeakPolarHBondContact CZ3-O 3.17Å; W140-Q177 HydrophobicContact CH2-CG 3.64Å; W140-Q177 HydrophobicContact CZ2-CG 4.29Å; W140-Q177 HydrophobicContact CZ3-CB 4.45Å; W140-Q177 HydrophobicContact CZ3-CG 3.86Å; W140-L178 HydrophobicContact CH2-CD1 4.44Å; W140-L178 HydrophobicContact CZ3-CB 3.89Å; W140-L178 HydrophobicContact CZ3-CD1 3.91Å; W140-Y181 HydrophobicContact CH2-CD2 4.17Å; W140-Y181 AromaticContact CH2-CG 3.98Å; W140-Y181 HydrophobicContact CH2-CG 3.98Å; W140-Y181 AromaticContact CZ2-CD2 3.81Å; W140-Y181 HydrophobicContact CZ2-CD2 3.81Å; W140-Y181 HydrophobicContact CZ2-CE2 4.36Å; W140-Y181 HydrophobicContact CZ2-CG 4.04Å
141	S	97.4	Very high	97.7	Very high	6 Å²	6	9.3 Å²	9.3	4%	0.042	5%	0.046	C	C	.	.	H	α-helix	trans	-65.9	-41.5	-177.5	52	0	0	0	0	112.9	S98 N99 A139 R145	S98-S141 WeakPolarHBondContact CB-OG 3.47Å; S98-S141 WeakPolarHBondContact O-CB 3.42Å; S98-S141 PolarHBondContact O-OG 2.88Å; S98-S141 PolarHBondContact OG-OG 3.29Å; N99-S141 WeakPolarHBondContact OD1-CB 3.13Å; N99-S141 PolarHBondContact OD1-OG 3Å; A139-S141 VanDerWaalsContact C-N 3.32Å; A139-S141 PolarHBondContact O-N 3.39Å; S141-R145 WeakPolarHBondContact O-CB 3.45Å; S141-R145 PolarHBondContact O-N 3.43Å; S141-R145 PolarHBondContact O-NH1 3.48Å
142	A	97.2	Very high	97.6	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.008	7%	0.067	C	C	.	.	H	α-helix	trans	-65.4	-50.8	178.2	0	0	0	0	0	111.4	F93 A139 L144 R145 T146 A221 H222	F93-A142 HydrophobicContact CZ-CB 3.89Å; A139-A142 HydrophobicContact CB-CB 4.12Å; A139-A142 PolarHBondContact O-N 3.04Å; A142-L144 PolarHBondContact O-N 2.91Å; A142-R145 PolarHBondContact O-N 2.9Å; A142-T146 PolarHBondContact O-N 3.19Å; A142-T146 PolarHBondContact O-OG1 2.98Å; A142-A221 CarbonylContact C-O 3.54Å; A142-H222 HydrophobicContact CB-CB 4.22Å
143	L	98.4	Very high	97.5	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-57.6	-50	179.2	175.4	62.6	0	0	0	111.6	I133 F135 E138 A139 R145 T146 V147 L164 L174 L178 A221	I133-L143 HydrophobicContact CG2-CD1 4.21Å; F135-L143 HydrophobicContact CD1-CD1 4.21Å; F135-L143 HydrophobicContact CD2-CD2 4.08Å; F135-L143 HydrophobicContact CE2-CD2 4.05Å; F135-L143 HydrophobicContact CG-CD1 4.28Å; F135-L143 HydrophobicContact CG-CD2 4.31Å; F135-L143 HydrophobicContact CZ-CD2 4.26Å; E138-L143 HydrophobicContact CG-CB 4.12Å; A139-L143 WeakPolarHBondContact O-CB 3.19Å; A139-L143 PolarHBondContact O-N 3.44Å; L143-R145 VanDerWaalsContact C-N 3.34Å; L143-R145 PolarHBondContact O-N 2.96Å; L143-T146 WeakPolarHBondContact O-CB 3.5Å; L143-T146 PolarHBondContact O-N 2.97Å; L143-V147 WeakPolarHBondContact O-CG2 3.27Å; L143-V147 PolarHBondContact O-N 3.12Å; L143-L164 HydrophobicContact CD1-CD2 4.43Å; L143-L174 HydrophobicContact CD2-CD2 3.82Å; L143-L178 HydrophobicContact CD2-CD1 4.12Å; L143-L178 HydrophobicContact CD2-CD2 3.93Å; L143-A221 WeakPolarHBondContact CA-O 3.39Å; L143-A221 HydrophobicContact CD1-CB 4.04Å; L143-A221 PolarHBondContact N-O 3.31Å
144	L	98.2	Very high	97.5	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.005	8%	0.078	C	C	.	.	H	α-helix	trans	-67.6	-36	-179	-71	-166.4	0	0	0	112.5	T103 W140 A142 T146 V147 H148 L178 Y181	T103-L144 HydrophobicContact CG2-CB 3.77Å; T103-L144 HydrophobicContact CG2-CD1 4.26Å; W140-L144 HydrophobicContact CD2-CD1 3.98Å; W140-L144 HydrophobicContact CD2-CG 4.31Å; W140-L144 HydrophobicContact CG-CD1 4.42Å; W140-L144 HydrophobicContact CH2-CD1 4.23Å; W140-L144 HydrophobicContact CZ2-CD1 3.47Å; W140-L144 VanDerWaalsContact CZ2-CD1 3.47Å; W140-L144 HydrophobicContact CZ2-CG 4.41Å; W140-L144 VanDerWaalsContact NE1-CD1 3.35Å; W140-L144 WeakPolarHBondContact O-CB 3.42Å; W140-L144 WeakPolarHBondContact O-CG 3.45Å; W140-L144 PolarHBondContact O-N 3.01Å; A142-L144 PolarHBondContact O-N 2.91Å; L144-T146 VanDerWaalsContact C-N 3.31Å; L144-T146 PolarHBondContact O-N 2.79Å; L144-V147 PolarHBondContact O-N 2.86Å; L144-H148 PolarHBondContact O-CD2 3.49Å; L144-H148 PolarHBondContact O-N 2.79Å; L144-L178 HydrophobicContact CD2-CD1 4.04Å; L144-Y181 HydrophobicContact CD1-CD1 4.04Å; L144-Y181 HydrophobicContact CD1-CD2 4.3Å; L144-Y181 HydrophobicContact CD1-CE1 3.64Å; L144-Y181 HydrophobicContact CD1-CE2 3.92Å; L144-Y181 HydrophobicContact CD1-CG 4.36Å; L144-Y181 HydrophobicContact CD2-CD1 3.67Å; L144-Y181 HydrophobicContact CD2-CE1 3.58Å; L144-Y181 HydrophobicContact CG-CE1 4.22Å
145	R	97.5	Very high	97.4	Very high	6 Å²	6	16.5 Å²	16.5	2%	0.023	8%	0.083	C	C	.	.	H	α-helix	trans	-65	-36.7	175.7	-174.7	167.2	54	-100.8	-8.5	111.5	S98 G102 T103 S141 A142 L143 S149 E224	S98-R145 PolarHBondContact O-NH1 2.91Å; S98-R145 PolarHBondContact OG-NH2 2.79Å; G102-R145 PolarHBondContact O-NH1 2.89Å; T103-R145 WeakPolarHBondContact O-CA 2.93Å; S141-R145 WeakPolarHBondContact O-CB 3.45Å; S141-R145 PolarHBondContact O-N 3.43Å; S141-R145 PolarHBondContact O-NH1 3.48Å; A142-R145 PolarHBondContact O-N 2.9Å; L143-R145 VanDerWaalsContact C-N 3.34Å; L143-R145 PolarHBondContact O-N 2.96Å; R145-S149 VanDerWaalsContact O-CB 3.26Å; R145-S149 WeakPolarHBondContact O-CB 3.42Å; R145-S149 PolarHBondContact O-N 2.84Å; R145-S149 PolarHBondContact O-OG 2.82Å; R145-E224 VanDerWaalsContact CD-CD 3.4Å; R145-E224 WeakPolarHBondContact CD-OE1 3.43Å; R145-E224 HydrophobicContact CG-CG 3.75Å; R145-E224 IonicContact NE-OE1 2.76Å; R145-E224 PolarHBondContact NE-OE1 3.41Å
146	T	98.5	Very high	97.4	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-59.4	-51.9	168.8	-56.7	0	0	0	0	111.5	I133 A142 L143 L144 H148 S149 V150 A221 H222 C223	I133-T146 HydrophobicContact CD1-CG2 3.89Å; I133-T146 HydrophobicContact CG1-CG2 4.47Å; A142-T146 PolarHBondContact O-N 3.19Å; A142-T146 PolarHBondContact O-OG1 2.98Å; L143-T146 WeakPolarHBondContact O-CB 3.5Å; L143-T146 PolarHBondContact O-N 2.97Å; L144-T146 VanDerWaalsContact C-N 3.31Å; L144-T146 PolarHBondContact O-N 2.79Å; T146-H148 PolarHBondContact O-N 2.79Å; T146-S149 PolarHBondContact O-N 2.86Å; T146-S149 PolarHBondContact O-OG 3Å; T146-V150 WeakPolarHBondContact O-CG2 3.32Å; T146-V150 PolarHBondContact O-N 2.97Å; T146-V150 VanDerWaalsContact O-N 3.1Å; T146-A221 PolarHBondContact OG1-O 2.67Å; T146-H222 PolarHBondContact OG1-N 3.32Å; T146-C223 WeakPolarHBondContact CA-O 3.41Å; T146-C223 WeakPolarHBondContact CB-O 3.05Å; T146-C223 HydrophobicContact CG2-CB 4.1Å; T146-C223 PolarHBondContact OG1-N 2.8Å; T146-C223 PolarHBondContact OG1-O 2.89Å
147	V	98.5	Very high	97.5	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.006	12%	0.122	C	C	.	.	H	α-helix	trans	-58.3	-49	-179.8	173.5	0	0	0	0	112.3	I133 L143 L144 V150 L151 L164 L185 V189	I133-V147 HydrophobicContact CD1-CG2 4.35Å; L143-V147 WeakPolarHBondContact O-CG2 3.27Å; L143-V147 PolarHBondContact O-N 3.12Å; L144-V147 PolarHBondContact O-N 2.86Å; V147-V150 PolarHBondContact O-N 2.84Å; V147-L151 HydrophobicContact CG1-CD1 3.91Å; V147-L151 HydrophobicContact CG1-CG 4.41Å; V147-L151 WeakPolarHBondContact O-CG 3.12Å; V147-L151 PolarHBondContact O-N 2.9Å; V147-L164 HydrophobicContact CG2-CD1 4.02Å; V147-L164 HydrophobicContact CG2-CD2 3.73Å; V147-L164 HydrophobicContact CG2-CG 4.44Å; V147-L185 HydrophobicContact CG1-CD1 4.34Å; V147-V189 HydrophobicContact CG1-CG1 4.33Å; V147-V189 HydrophobicContact CG1-CG2 4.46Å
148	H	98.3	Very high	97.7	Very high	4 Å²	4	21.7 Å²	21.7	2%	0.019	11%	0.112	C	C	.	.	H	α-helix	trans	-66.5	-40	179.4	-79.9	-76	0	0	0	112	R104 L144 T146 V150 L151 D152 Y181	R104-H148 HydrophobicContact CG-CB 4.02Å; R104-H148 PolarHBondContact NE-ND1 2.75Å; R104-H148 VanDerWaalsContact NE-ND1 3.11Å; R104-H148 PolarHBondContact NH2-CE1 2.83Å; R104-H148 PolarHBondContact NH2-ND1 3.07Å; R104-H148 VanDerWaalsContact NH2-ND1 3.11Å; L144-H148 PolarHBondContact O-CD2 3.49Å; L144-H148 PolarHBondContact O-N 2.79Å; T146-H148 PolarHBondContact O-N 2.79Å; H148-V150 PolarHBondContact O-N 2.7Å; H148-L151 PolarHBondContact O-N 2.78Å; H148-L151 VanDerWaalsContact O-N 3.13Å; H148-D152 VanDerWaalsContact O-CB 3.26Å; H148-D152 WeakPolarHBondContact O-CB 3.27Å; H148-D152 PolarHBondContact O-N 3.5Å; H148-Y181 AromaticContact NE2-CE1 3.7Å; H148-Y181 AromaticContact NE2-CZ 3.66Å; H148-Y181 PolarHBondContact NE2-OH 3.19Å
149	S	98.2	Very high	97.7	Very high	4 Å²	4	21.7 Å²	21.7	3%	0.028	11%	0.113	C	C	.	.	H	α-helix	trans	-57.4	-40.6	175.6	72.6	0	0	0	0	111.9	R145 T146 R153 V225	R145-S149 VanDerWaalsContact O-CB 3.26Å; R145-S149 WeakPolarHBondContact O-CB 3.42Å; R145-S149 PolarHBondContact O-N 2.84Å; R145-S149 PolarHBondContact O-OG 2.82Å; T146-S149 PolarHBondContact O-N 2.86Å; T146-S149 PolarHBondContact O-OG 3Å; S149-R153 WeakPolarHBondContact O-CB 3.35Å; S149-R153 PolarHBondContact O-N 3.49Å; S149-R153 VanDerWaalsContact O-N 3.08Å; S149-V225 WeakPolarHBondContact O-CG2 3.14Å; S149-V225 PolarHBondContact OG-N 3.33Å
150	V	98.6	Very high	97.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-66.6	-47.5	175.2	174.9	0	0	0	0	111	V131 T146 V147 H148 D152 T154 L159 I162 L219 V225 W229	V131-V150 HydrophobicContact CB-CG1 4.49Å; V131-V150 HydrophobicContact CG1-CG1 4.36Å; V131-V150 HydrophobicContact CG1-CG2 4.44Å; V131-V150 HydrophobicContact CG2-CG1 4.04Å; T146-V150 WeakPolarHBondContact O-CG2 3.32Å; T146-V150 PolarHBondContact O-N 2.97Å; T146-V150 VanDerWaalsContact O-N 3.1Å; V147-V150 PolarHBondContact O-N 2.84Å; H148-V150 PolarHBondContact O-N 2.7Å; V150-D152 VanDerWaalsContact C-N 3.32Å; V150-D152 PolarHBondContact O-N 2.99Å; V150-T154 WeakPolarHBondContact O-CB 3.34Å; V150-T154 PolarHBondContact O-N 3.12Å; V150-T154 VanDerWaalsContact O-N 3.17Å; V150-T154 PolarHBondContact O-OG1 3.23Å; V150-L159 HydrophobicContact CG1-CD1 4.38Å; V150-I162 HydrophobicContact CB-CD1 4.02Å; V150-I162 HydrophobicContact CG1-CD1 3.55Å; V150-I162 HydrophobicContact CG1-CG1 4.12Å; V150-L219 HydrophobicContact CG2-CD1 3.61Å; V150-V225 HydrophobicContact CG2-CG1 4.16Å; V150-V225 HydrophobicContact CG2-CG2 4.15Å; V150-W229 HydrophobicContact CG1-CZ2 4.26Å; V150-W229 HydrophobicContact CG2-CZ2 4.31Å
151	L	98.2	Very high	97.9	Very high	25 Å²	25	23.7 Å²	23.7	13%	0.131	12%	0.123	C	C	.	.	H	α-helix	trans	-62.4	-38.9	180	-72.1	173	0	0	0	113	V147 H148 L159 I162 L185 K187 V189	V147-L151 HydrophobicContact CG1-CD1 3.91Å; V147-L151 HydrophobicContact CG1-CG 4.41Å; V147-L151 WeakPolarHBondContact O-CG 3.12Å; V147-L151 PolarHBondContact O-N 2.9Å; H148-L151 PolarHBondContact O-N 2.78Å; H148-L151 VanDerWaalsContact O-N 3.13Å; L151-L159 HydrophobicContact CD2-CD2 4.09Å; L151-I162 HydrophobicContact CD2-CD1 3.71Å; L151-I162 HydrophobicContact CG-CD1 3.85Å; L151-L185 HydrophobicContact CD1-CD1 4.14Å; L151-K187 HydrophobicContact CD1-CB 4.42Å; L151-K187 HydrophobicContact CD1-CG 4.29Å; L151-K187 HydrophobicContact CD2-CB 3.88Å; L151-K187 HydrophobicContact CD2-CD 4.47Å; L151-K187 HydrophobicContact CD2-CG 4.05Å; L151-V189 HydrophobicContact CD1-CG2 4.15Å; L151-V189 HydrophobicContact CD2-CG2 3.97Å; L151-V189 HydrophobicContact CG-CG2 4.44Å
152	D	96.9	Very high	97.9	Very high	83 Å²	83	23.4 Å²	23.4	44%	0.444	12%	0.121	S	C	.	.	H	α-helix	trans	-86.2	-26.2	-171	-64.2	-21	0	0	0	112	R104 H148 V150	R104-D152 IonicContact CZ-OD1 3.5Å; R104-D152 IonicContact CZ-OD2 3.77Å; R104-D152 IonicContact NE-OD2 3.92Å; R104-D152 PolarHBondContact NE-OD2 3.21Å; R104-D152 IonicContact NH2-OD1 2.98Å; H148-D152 VanDerWaalsContact O-CB 3.26Å; H148-D152 WeakPolarHBondContact O-CB 3.27Å; H148-D152 PolarHBondContact O-N 3.5Å; V150-D152 VanDerWaalsContact C-N 3.32Å; V150-D152 PolarHBondContact O-N 2.99Å
153	R	97	Very high	98	Very high	44 Å²	44	23.4 Å²	23.4	17%	0.166	12%	0.121	C	C	.	.	H	α-helix	trans	-115.8	11.4	-175.2	-60.7	171.7	-178	121	11.5	114.6	R105 S149 V225	R105-R153 PolarHBondContact O-NH2 3.49Å; S149-R153 WeakPolarHBondContact O-CB 3.35Å; S149-R153 PolarHBondContact O-N 3.49Å; S149-R153 VanDerWaalsContact O-N 3.08Å; R153-V225 HydrophobicContact CB-CG2 4.36Å; R153-V225 WeakPolarHBondContact CD-O 3.37Å; R153-V225 PolarHBondContact NH1-O 3.04Å
154	T	98	Very high	98	Very high	11 Å²	11	23.4 Å²	23.4	7%	0.067	12%	0.121	C	C	.	.	S	Bend	trans	-111.5	127.6	172.9	-52.9	0	0	0	0	110.1	V150 V156 L159 W229 L230	V150-T154 WeakPolarHBondContact O-CB 3.34Å; V150-T154 PolarHBondContact O-N 3.12Å; V150-T154 VanDerWaalsContact O-N 3.17Å; V150-T154 PolarHBondContact O-OG1 3.23Å; T154-V156 PolarHBondContact O-N 2.94Å; T154-L159 HydrophobicContact CG2-CB 3.97Å; T154-W229 PolarHBondContact OG1-NE1 3.38Å; T154-W229 VanDerWaalsContact OG1-NE1 3.08Å; T154-L230 HydrophobicContact CG2-CD2 3.4Å
155	P	97	Very high	98.1	Very high	26 Å²	26	23.3 Å²	23.3	17%	0.169	12%	0.12	C	C	.	.			trans	-54.9	124.9	171.2	-25.9	34.8	0	0	0	111.2	L121 Q157 L158 L159 E231	L121-P155 HydrophobicContact CD1-CB 4.1Å; L121-P155 HydrophobicContact CD2-CB 4.42Å; L121-P155 HydrophobicContact CD2-CG 4.22Å; P155-Q157 PolarHBondContact O-N 2.8Å; P155-L158 HydrophobicContact CB-CD1 4.24Å; P155-L158 HydrophobicContact CB-CG 4.19Å; P155-L158 HydrophobicContact CG-CD1 4.2Å; P155-L158 PolarHBondContact O-N 2.97Å; P155-L159 PolarHBondContact O-N 3.4Å; P155-E231 WeakPolarHBondContact CD-OE1 3.46Å; P155-E231 HydrophobicContact CG-CG 4.12Å; P155-E231 WeakPolarHBondContact CG-OE1 3.37Å
156	V	96.7	Very high	98.1	Very high	98 Å²	98	23 Å²	23	59%	0.594	12%	0.119	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-27.2	-173.8	67.8	0	0	0	0	113.2	T154 L158	T154-V156 PolarHBondContact O-N 2.94Å; V156-L158 VanDerWaalsContact C-N 3.31Å
157	Q	96.9	Very high	98	Very high	97 Å²	97	23.3 Å²	23.3	45%	0.453	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-23.5	178.6	-53.2	84.2	-10.7	0	0	112.5	L125 K128 P155	L125-Q157 HydrophobicContact CD2-CB 3.65Å; K128-Q157 VanDerWaalsContact CD-O 3.24Å; K128-Q157 WeakPolarHBondContact CD-O 3.33Å; K128-Q157 WeakPolarHBondContact CE-O 3.26Å; K128-Q157 WeakPolarHBondContact CG-O 3.5Å; P155-Q157 PolarHBondContact O-N 2.8Å
158	L	98.3	Very high	97.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	-23.5	179.2	-59.1	-175.8	0	0	0	113	L121 L124 L125 K128 T129 P155 V156 H160 L230 E231 L234	L121-L158 HydrophobicContact CD2-CD1 3.8Å; L121-L158 HydrophobicContact CD2-CG 4.43Å; L124-L158 HydrophobicContact CB-CD1 4.3Å; L124-L158 HydrophobicContact CB-CD2 3.58Å; L124-L158 HydrophobicContact CD1-CD1 4Å; L125-L158 HydrophobicContact CD2-CD2 4.24Å; K128-L158 CarbonylContact C-O 3.57Å; K128-L158 VanDerWaalsContact CA-O 3.23Å; K128-L158 WeakPolarHBondContact CA-O 3.2Å; K128-L158 WeakPolarHBondContact CB-O 3.34Å; T129-L158 PolarHBondContact N-O 2.87Å; P155-L158 HydrophobicContact CB-CD1 4.24Å; P155-L158 HydrophobicContact CB-CG 4.19Å; P155-L158 HydrophobicContact CG-CD1 4.2Å; P155-L158 PolarHBondContact O-N 2.97Å; V156-L158 VanDerWaalsContact C-N 3.31Å; L158-H160 PolarHBondContact O-N 2.91Å; L158-L230 HydrophobicContact CB-CD2 4.23Å; L158-E231 HydrophobicContact CD1-CG 3.96Å; L158-L234 HydrophobicContact CB-CD1 4.25Å; L158-L234 HydrophobicContact CD1-CD1 4.21Å
159	L	98.5	Very high	97.7	Very high	10 Å²	10	24.5 Å²	24.5	5%	0.052	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	115.8	174.7	-173.1	59.9	0	0	0	110.2	K128 V131 V150 L151 T154 P155 I162	K128-L159 VanDerWaalsContact CE-O 3.29Å; K128-L159 WeakPolarHBondContact CE-O 3.26Å; K128-L159 PolarHBondContact NZ-O 3.15Å; V131-L159 HydrophobicContact CG2-CD1 3.71Å; V150-L159 HydrophobicContact CG1-CD1 4.38Å; L151-L159 HydrophobicContact CD2-CD2 4.09Å; T154-L159 HydrophobicContact CG2-CB 3.97Å; P155-L159 PolarHBondContact O-N 3.4Å; L159-I162 HydrophobicContact CD1-CG1 3.96Å; L159-I162 HydrophobicContact CD2-CD1 4.16Å; L159-I162 HydrophobicContact CD2-CG1 4.1Å; L159-I162 HydrophobicContact CG-CG1 4.49Å
160	H	98.6	Very high	97.6	Very high	65 Å²	65	29.6 Å²	29.6	30%	0.301	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	-53.5	173	-169.6	66	0	0	0	110.8	K128 T129 L158 T212 G213	K128-H160 HydrophobicContact CB-CB 3.99Å; T129-H160 WeakPolarHBondContact O-CA 3.36Å; T129-H160 WeakPolarHBondContact O-CB 3.31Å; T129-H160 PolarHBondContact O-N 2.79Å; L158-H160 PolarHBondContact O-N 2.91Å; H160-T212 PolarHBondContact CD2-OG1 3.12Å; H160-T212 PolarHBondContact NE2-OG1 3.31Å; H160-G213 PolarHBondContact CD2-N 2.73Å
161	E	98.6	Very high	97.4	Very high	16 Å²	16	32.5 Å²	32.5	8%	0.075	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	158.2	180	58.6	-174.5	143.1	0	0	110.9	S130 V131 I163 P188 R190 T212	S130-E161 WeakPolarHBondContact CA-O 3.31Å; S130-E161 WeakPolarHBondContact OG-CG 3.35Å; S130-E161 PolarHBondContact OG-OE1 3.25Å; V131-E161 PolarHBondContact N-O 3.49Å; E161-I163 HydrophobicContact CG-CD1 4.18Å; E161-I163 HydrophobicContact CG-CG1 4Å; E161-P188 CarbonylContact C-O 3.57Å; E161-P188 WeakPolarHBondContact CA-O 3.46Å; E161-R190 IonicContact OE1-NH2 2.71Å; E161-R190 PolarHBondContact OE1-NH2 3.28Å; E161-R190 IonicContact OE2-CZ 2.8Å; E161-R190 IonicContact OE2-NE 2.69Å; E161-R190 PolarHBondContact OE2-NE 3.25Å; E161-R190 IonicContact OE2-NH2 3.75Å; E161-R190 PolarHBondContact OE2-NH2 2.9Å; E161-T212 PolarHBondContact OE1-N 3.32Å; E161-T212 PolarHBondContact OE1-OG1 3Å
162	I	98.8	Very high	97.3	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	123.1	164.8	-53.3	-179	0	0	0	107.6	V131 I133 V150 L151 L159 L164 P188 V189 R190	V131-I162 HydrophobicContact CB-CG1 4.33Å; V131-I162 CarbonylContact O-C 3.54Å; V131-I162 WeakPolarHBondContact O-CA 3.33Å; I133-I162 HydrophobicContact CD1-CG2 3.89Å; V150-I162 HydrophobicContact CB-CD1 4.02Å; V150-I162 HydrophobicContact CG1-CD1 3.55Å; V150-I162 HydrophobicContact CG1-CG1 4.12Å; L151-I162 HydrophobicContact CD2-CD1 3.71Å; L151-I162 HydrophobicContact CG-CD1 3.85Å; L159-I162 HydrophobicContact CD1-CG1 3.96Å; L159-I162 HydrophobicContact CD2-CD1 4.16Å; L159-I162 HydrophobicContact CD2-CG1 4.1Å; L159-I162 HydrophobicContact CG-CG1 4.49Å; I162-L164 HydrophobicContact CG2-CD2 4Å; I162-P188 PolarHBondContact N-O 2.93Å; I162-V189 HydrophobicContact CB-CB 4.41Å; I162-V189 HydrophobicContact CB-CG1 4.16Å; I162-V189 HydrophobicContact CB-CG2 4.17Å; I162-V189 HydrophobicContact CD1-CG2 4.05Å; I162-V189 HydrophobicContact CG1-CG2 4.38Å; I162-V189 HydrophobicContact CG2-CG1 4.28Å; I162-V189 WeakPolarHBondContact O-CA 3.42Å; I162-R190 PolarHBondContact O-N 3.47Å
163	I	98.8	Very high	97.2	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	108.7	179.2	-52.4	177.4	0	0	0	107.9	V131 I133 E161 V165 R190 E192 I210	V131-I163 PolarHBondContact O-N 3.22Å; I133-I163 PolarHBondContact N-O 3.24Å; E161-I163 HydrophobicContact CG-CD1 4.18Å; E161-I163 HydrophobicContact CG-CG1 4Å; I163-V165 HydrophobicContact CG2-CG2 3.87Å; I163-V165 PolarHBondContact O-N 3.08Å; I163-R190 HydrophobicContact CG1-CG 4.34Å; I163-E192 HydrophobicContact CG2-CB 4.28Å; I163-I210 HydrophobicContact CD1-CG1 4.23Å; I163-I210 HydrophobicContact CG2-CD1 3.88Å; I163-I210 HydrophobicContact CG2-CG1 4.44Å
164	L	98.8	Very high	97.3	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	102.9	172.5	-58	-172.8	0	0	0	108.4	I133 F135 L143 V147 I162 V182 V189 R190 I191 E192	I133-L164 HydrophobicContact CB-CD2 3.79Å; I133-L164 HydrophobicContact CD1-CD2 3.86Å; I133-L164 HydrophobicContact CG1-CD2 4.38Å; I133-L164 HydrophobicContact CG2-CD2 4.2Å; I133-L164 CarbonylContact O-C 3.22Å; I133-L164 WeakPolarHBondContact O-CA 3.15Å; F135-L164 HydrophobicContact CE1-CB 3.8Å; L143-L164 HydrophobicContact CD1-CD2 4.43Å; V147-L164 HydrophobicContact CG2-CD1 4.02Å; V147-L164 HydrophobicContact CG2-CD2 3.73Å; V147-L164 HydrophobicContact CG2-CG 4.44Å; I162-L164 HydrophobicContact CG2-CD2 4Å; L164-V182 HydrophobicContact CD1-CG2 4.04Å; L164-V189 HydrophobicContact CD1-CG1 4.08Å; L164-V189 HydrophobicContact CG-CG1 4.17Å; L164-R190 PolarHBondContact N-O 2.86Å; L164-I191 HydrophobicContact CB-CG1 4.28Å; L164-I191 HydrophobicContact CD1-CG1 4.28Å; L164-I191 CarbonylContact O-C 3.55Å; L164-I191 WeakPolarHBondContact O-CA 3.32Å; L164-E192 PolarHBondContact O-N 3.06Å
165	V	98.6	Very high	97.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	106.5	178.5	-174.2	0	0	0	0	109.2	I132 I133 V134 F135 I163 D167 E192 M194 A203	I132-V165 HydrophobicContact CG2-CG2 4.14Å; I133-V165 PolarHBondContact O-N 2.76Å; V134-V165 WeakPolarHBondContact CA-O 3.06Å; V134-V165 HydrophobicContact CG2-CB 4.07Å; F135-V165 WeakPolarHBondContact CD1-O 3.44Å; F135-V165 PolarHBondContact N-O 3.29Å; I163-V165 HydrophobicContact CG2-CG2 3.87Å; I163-V165 PolarHBondContact O-N 3.08Å; V165-D167 PolarHBondContact O-N 3.43Å; V165-E192 CarbonylContact C-O 3.56Å; V165-E192 WeakPolarHBondContact CA-O 3.44Å; V165-M194 HydrophobicContact CG1-CG 4.15Å; V165-M194 HydrophobicContact CG1-SD 3.94Å; V165-A203 HydrophobicContact CG1-CB 3.99Å
166	D	98.3	Very high	97.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	106.1	175.7	-175	-1.6	0	0	0	109.9	F135 A168 S169 E192 R193 M194	F135-D166 HydrophobicContact CE1-CB 3.85Å; F135-D166 HydrophobicContact CE2-CB 3.89Å; F135-D166 HydrophobicContact CZ-CB 3.42Å; F135-D166 VanDerWaalsContact CZ-CB 3.42Å; D166-A168 PolarHBondContact O-N 2.87Å; D166-A168 PolarHBondContact OD1-N 3.13Å; D166-S169 WeakPolarHBondContact OD1-CA 3.37Å; D166-S169 WeakPolarHBondContact OD1-CB 3.29Å; D166-S169 PolarHBondContact OD1-N 2.89Å; D166-S169 PolarHBondContact OD1-OG 2.76Å; D166-E192 PolarHBondContact N-O 3.27Å; D166-R193 HydrophobicContact CB-CB 4.3Å; D166-R193 HydrophobicContact CB-CG 4.26Å; D166-R193 IonicContact OD2-CZ 3.13Å; D166-R193 IonicContact OD2-NE 2.75Å; D166-R193 PolarHBondContact OD2-NE 3.4Å; D166-R193 IonicContact OD2-NH2 2.71Å; D166-R193 PolarHBondContact OD2-NH2 3.46Å; D166-M194 PolarHBondContact O-N 2.89Å
167	D	95.8	Very high	97.3	Very high	6 Å²	6	35.8 Å²	35.8	3%	0.032	20%	0.201	C	C	.	.			trans	-79	59.6	177.5	-173	35.2	0	0	0	111.2	F135 H136 V165 S198 G199 A203	F135-D167 PolarHBondContact O-N 2.8Å; H136-D167 HydrophobicContact CB-CB 4.33Å; H136-D167 PolarHBondContact ND1-O 3.22Å; V165-D167 PolarHBondContact O-N 3.43Å; D167-S198 PolarHBondContact OD1-N 2.82Å; D167-S198 PolarHBondContact OD2-N 2.77Å; D167-G199 VanDerWaalsContact OD2-CA 3.29Å; D167-G199 WeakPolarHBondContact OD2-CA 3.46Å; D167-G199 PolarHBondContact OD2-N 2.62Å; D167-A203 HydrophobicContact CB-CB 4.12Å
168	A	95.3	Very high	97.3	Very high	23 Å²	23	31.2 Å²	31.2	19%	0.19	18%	0.179	C	C	.	.	S	Bend	trans	57.7	52.8	178.7	0	0	0	0	0	114.7	H136 D166 R197	H136-A168 PolarHBondContact CE1-O 3.3Å; H136-A168 PolarHBondContact ND1-O 3.39Å; D166-A168 PolarHBondContact O-N 2.87Å; D166-A168 PolarHBondContact OD1-N 3.13Å; A168-R197 HydrophobicContact CB-CB 4.37Å
169	S	96.4	Very high	97.3	Very high	6 Å²	6	37.4 Å²	37.4	4%	0.042	21%	0.206	C	C	.	.			trans	-61.9	137.3	173.3	-59.9	0	0	0	0	112.6	H136 N137 D166 L174 R193	H136-S169 WeakPolarHBondContact CA-OG 3.48Å; N137-S169 PolarHBondContact N-OG 3.11Å; N137-S169 WeakPolarHBondContact OD1-CA 3.35Å; N137-S169 WeakPolarHBondContact OD1-CB 3.29Å; D166-S169 WeakPolarHBondContact OD1-CA 3.37Å; D166-S169 WeakPolarHBondContact OD1-CB 3.29Å; D166-S169 PolarHBondContact OD1-N 2.89Å; D166-S169 PolarHBondContact OD1-OG 2.76Å; S169-L174 WeakPolarHBondContact OG-CD1 3.45Å; S169-R193 PolarHBondContact O-NH2 3.38Å
170	T	95.2	Very high	97.3	Very high	111 Å²	111	41.8 Å²	41.8	68%	0.681	23%	0.23	S	C	*	.			trans	-95.7	-17.1	178	56.4	0	0	0	0	113.2	N137	N137-T170 PolarHBondContact ND2-OG1 2.89Å; N137-T170 PolarHBondContact OD1-N 3.11Å; N137-T170 PolarHBondContact OD1-OG1 3.48Å
171	Q	94.7	Very high	97.2	Very high	62 Å²	62	41.3 Å²	41.3	29%	0.29	23%	0.225	S	C	.	.			trans	-71.1	132.1	-179.5	-59.4	-69.9	34	0	0	112	N137 H173 L174	N137-Q171 HydrophobicContact CB-CG 3.98Å; N137-Q171 WeakPolarHBondContact OD1-CG 3.31Å; N137-Q171 PolarHBondContact OD1-N 2.86Å; Q171-H173 VanDerWaalsContact C-N 3.35Å; Q171-H173 WeakPolarHBondContact CB-CE1 3.4Å; Q171-H173 PolarHBondContact O-N 3.09Å; Q171-L174 HydrophobicContact CB-CD1 4.24Å; Q171-L174 HydrophobicContact CB-CG 4.46Å; Q171-L174 PolarHBondContact O-N 3.5Å; Q171-L174 VanDerWaalsContact O-N 3.12Å
172	S	96	Very high	97.2	Very high	99 Å²	99	41.1 Å²	41.1	69%	0.692	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-63.1	-35.6	-172.4	55.1	0	0	0	0	113.7	L174 G175	S172-L174 PolarHBondContact O-N 3.1Å; S172-L174 VanDerWaalsContact O-N 3.17Å; S172-G175 PolarHBondContact O-N 2.65Å
173	H	95.8	Very high	97.1	Very high	39 Å²	39	49.4 Å²	49.4	18%	0.181	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-63.6	-19.9	177.9	64	-88.1	0	0	0	113.2	E138 W140 Q171 L178	E138-H173 PolarHBondContact O-NE2 2.69Å; W140-H173 HydrophobicContact CE3-CB 4.26Å; W140-H173 VanDerWaalsContact CZ3-O 3.23Å; W140-H173 WeakPolarHBondContact CZ3-O 3.17Å; Q171-H173 VanDerWaalsContact C-N 3.35Å; Q171-H173 WeakPolarHBondContact CB-CE1 3.4Å; Q171-H173 PolarHBondContact O-N 3.09Å; H173-L178 PolarHBondContact O-N 3.27Å
174	L	97.6	Very high	97.1	Very high	2 Å²	2	53.4 Å²	53.4	1%	0.01	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-89.9	-2	176.8	-59.4	174.9	0	0	0	113.3	F135 L143 S169 Q171 S172 L178	F135-L174 HydrophobicContact CD2-CD1 4.11Å; F135-L174 HydrophobicContact CD2-CD2 4.33Å; F135-L174 HydrophobicContact CE2-CB 4.28Å; F135-L174 HydrophobicContact CE2-CD1 4.07Å; F135-L174 HydrophobicContact CE2-CD2 3.95Å; F135-L174 HydrophobicContact CE2-CG 4.31Å; L143-L174 HydrophobicContact CD2-CD2 3.82Å; S169-L174 WeakPolarHBondContact OG-CD1 3.45Å; Q171-L174 HydrophobicContact CB-CD1 4.24Å; Q171-L174 HydrophobicContact CB-CG 4.46Å; Q171-L174 PolarHBondContact O-N 3.5Å; Q171-L174 VanDerWaalsContact O-N 3.12Å; S172-L174 PolarHBondContact O-N 3.1Å; S172-L174 VanDerWaalsContact O-N 3.17Å; L174-L178 HydrophobicContact CD2-CD2 4.14Å
175	G	96.3	Very high	97	Very high	22 Å²	22	54.9 Å²	54.9	23%	0.227	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-122.9	174.2	0	0	0	0	0	112.5	S172 Q177 L178 K179	S172-G175 PolarHBondContact O-N 2.65Å; G175-Q177 PolarHBondContact O-N 3.26Å; G175-L178 PolarHBondContact O-N 3.37Å; G175-K179 PolarHBondContact O-N 2.93Å; G175-K179 VanDerWaalsContact O-N 3.13Å
176	D	97.2	Very high	96.8	Very high	116 Å²	116	62.1 Å²	62.1	62%	0.62	34%	0.336	S	S	*	.	H	α-helix	trans	-61.6	-31.6	-175	-71.2	-38.2	0	0	0	113.4	K179 N180	D176-K179 PolarHBondContact O-N 3.17Å; D176-N180 VanDerWaalsContact O-CB 3.31Å; D176-N180 WeakPolarHBondContact O-CB 3.3Å; D176-N180 PolarHBondContact O-N 3.19Å; D176-N180 PolarHBondContact O-ND2 3.04Å
177	Q	98	Very high	96.8	Very high	78 Å²	78	67.7 Å²	67.7	36%	0.364	36%	0.36	S	S	.	.	H	α-helix	trans	-60	-49.9	176	-177.2	-173.6	-31.8	0	0	111.3	W140 G175 N180 Y181	W140-Q177 HydrophobicContact CH2-CG 3.64Å; W140-Q177 HydrophobicContact CZ2-CG 4.29Å; W140-Q177 HydrophobicContact CZ3-CB 4.45Å; W140-Q177 HydrophobicContact CZ3-CG 3.86Å; G175-Q177 PolarHBondContact O-N 3.26Å; Q177-N180 PolarHBondContact O-N 3.4Å; Q177-Y181 WeakPolarHBondContact O-CB 3.14Å; Q177-Y181 PolarHBondContact O-N 2.85Å
178	L	98.4	Very high	96.8	Very high	0 Å²	0	70.4 Å²	70.4	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-63.3	-42.7	176.9	-175.8	62.5	0	0	0	111.5	F135 W140 L143 L144 H173 L174 G175 N180 Y181 V182 I191	F135-L178 HydrophobicContact CE2-CD2 4.04Å; F135-L178 HydrophobicContact CZ-CD2 3.66Å; W140-L178 HydrophobicContact CH2-CD1 4.44Å; W140-L178 HydrophobicContact CZ3-CB 3.89Å; W140-L178 HydrophobicContact CZ3-CD1 3.91Å; L143-L178 HydrophobicContact CD2-CD1 4.12Å; L143-L178 HydrophobicContact CD2-CD2 3.93Å; L144-L178 HydrophobicContact CD2-CD1 4.04Å; H173-L178 PolarHBondContact O-N 3.27Å; L174-L178 HydrophobicContact CD2-CD2 4.14Å; G175-L178 PolarHBondContact O-N 3.37Å; L178-N180 PolarHBondContact O-N 2.92Å; L178-Y181 PolarHBondContact O-N 2.88Å; L178-V182 HydrophobicContact CD1-CG2 4.25Å; L178-V182 HydrophobicContact CG-CG2 4.45Å; L178-V182 WeakPolarHBondContact O-CB 3.44Å; L178-V182 WeakPolarHBondContact O-CG2 3.38Å; L178-V182 PolarHBondContact O-N 3.02Å; L178-I191 HydrophobicContact CB-CD1 4.33Å; L178-I191 HydrophobicContact CD2-CD1 4.06Å; L178-I191 HydrophobicContact CG-CD1 3.7Å
179	K	97.6	Very high	96.9	Very high	131 Å²	131	69.9 Å²	69.9	57%	0.57	37%	0.372	S	S	*	.	H	α-helix	trans	-58.9	-46.5	176.9	-176.4	-179.1	177.5	-177.7	0	112.4	G175 D176 K183 I191	G175-K179 PolarHBondContact O-N 2.93Å; G175-K179 VanDerWaalsContact O-N 3.13Å; D176-K179 PolarHBondContact O-N 3.17Å; K179-K183 WeakPolarHBondContact O-CB 3.43Å; K179-K183 PolarHBondContact O-N 3.28Å; K179-I191 HydrophobicContact CB-CD1 4.28Å
180	N	98.1	Very high	97	Very high	102 Å²	102	73.9 Å²	73.9	55%	0.545	39%	0.386	S	S	.	.	H	α-helix	trans	-66.6	-40.3	178	-70.5	-25.5	0	0	0	111.4	D176 Q177 L178 K183 S184	D176-N180 VanDerWaalsContact O-CB 3.31Å; D176-N180 WeakPolarHBondContact O-CB 3.3Å; D176-N180 PolarHBondContact O-N 3.19Å; D176-N180 PolarHBondContact O-ND2 3.04Å; Q177-N180 PolarHBondContact O-N 3.4Å; L178-N180 PolarHBondContact O-N 2.92Å; N180-K183 PolarHBondContact O-N 2.81Å; N180-S184 PolarHBondContact O-N 2.85Å
181	Y	98	Very high	97.1	Very high	55 Å²	55	70.9 Å²	70.9	22%	0.216	37%	0.366	C	S	.	.	H	α-helix	trans	-61.1	-52.6	175.6	-171	-86.7	0	0	0	111.7	W140 L144 H148 Q177 L178 K183 S184 L185	W140-Y181 HydrophobicContact CH2-CD2 4.17Å; W140-Y181 AromaticContact CH2-CG 3.98Å; W140-Y181 HydrophobicContact CH2-CG 3.98Å; W140-Y181 AromaticContact CZ2-CD2 3.81Å; W140-Y181 HydrophobicContact CZ2-CD2 3.81Å; W140-Y181 HydrophobicContact CZ2-CE2 4.36Å; W140-Y181 HydrophobicContact CZ2-CG 4.04Å; L144-Y181 HydrophobicContact CD1-CD1 4.04Å; L144-Y181 HydrophobicContact CD1-CD2 4.3Å; L144-Y181 HydrophobicContact CD1-CE1 3.64Å; L144-Y181 HydrophobicContact CD1-CE2 3.92Å; L144-Y181 HydrophobicContact CD1-CG 4.36Å; L144-Y181 HydrophobicContact CD2-CD1 3.67Å; L144-Y181 HydrophobicContact CD2-CE1 3.58Å; L144-Y181 HydrophobicContact CG-CE1 4.22Å; H148-Y181 AromaticContact NE2-CE1 3.7Å; H148-Y181 AromaticContact NE2-CZ 3.66Å; H148-Y181 PolarHBondContact NE2-OH 3.19Å; Q177-Y181 WeakPolarHBondContact O-CB 3.14Å; Q177-Y181 PolarHBondContact O-N 2.85Å; L178-Y181 PolarHBondContact O-N 2.88Å; Y181-K183 VanDerWaalsContact C-N 3.3Å; Y181-K183 PolarHBondContact O-N 3.28Å; Y181-S184 WeakPolarHBondContact O-CB 3.29Å; Y181-S184 PolarHBondContact O-N 3.37Å; Y181-S184 PolarHBondContact O-OG 3.25Å; Y181-L185 HydrophobicContact CD1-CD1 4.38Å; Y181-L185 HydrophobicContact CD1-CD2 4.47Å; Y181-L185 HydrophobicContact CD1-CG 4.38Å; Y181-L185 HydrophobicContact CE1-CD1 4.21Å; Y181-L185 HydrophobicContact CE1-CD2 3.85Å; Y181-L185 HydrophobicContact CE1-CG 4.21Å; Y181-L185 PolarHBondContact O-N 2.9Å
182	V	98.1	Very high	97.3	Very high	12 Å²	12	70.7 Å²	70.7	7%	0.073	37%	0.365	C	S	.	.	H	α-helix	trans	-58.2	-42.7	178.5	167.5	0	0	0	0	111.4	L164 L178 S184 L185 V189 I191	L164-V182 HydrophobicContact CD1-CG2 4.04Å; L178-V182 HydrophobicContact CD1-CG2 4.25Å; L178-V182 HydrophobicContact CG-CG2 4.45Å; L178-V182 WeakPolarHBondContact O-CB 3.44Å; L178-V182 WeakPolarHBondContact O-CG2 3.38Å; L178-V182 PolarHBondContact O-N 3.02Å; V182-S184 VanDerWaalsContact C-N 3.28Å; V182-S184 PolarHBondContact O-N 2.95Å; V182-L185 WeakPolarHBondContact O-CB 3.35Å; V182-L185 PolarHBondContact O-N 2.88Å; V182-V189 HydrophobicContact CG1-CB 3.96Å; V182-V189 HydrophobicContact CG1-CG1 3.87Å; V182-V189 WeakPolarHBondContact CG1-O 2.99Å; V182-V189 HydrophobicContact CG2-CG1 4.26Å; V182-I191 HydrophobicContact CB-CD1 4.08Å; V182-I191 HydrophobicContact CB-CG1 4.35Å; V182-I191 HydrophobicContact CG1-CG1 4.35Å; V182-I191 HydrophobicContact CG2-CD1 3.84Å; V182-I191 HydrophobicContact CG2-CG1 3.98Å
183	K	97.2	Very high	97.4	Very high	173 Å²	173	72 Å²	72	75%	0.752	36%	0.355	S	S	*	.	H	α-helix	trans	-59.6	-38.9	174.8	-172.3	-179	179.3	-176.6	0	112.1	K179 N180 Y181 L185 N186	K179-K183 WeakPolarHBondContact O-CB 3.43Å; K179-K183 PolarHBondContact O-N 3.28Å; N180-K183 PolarHBondContact O-N 2.81Å; Y181-K183 VanDerWaalsContact C-N 3.3Å; Y181-K183 PolarHBondContact O-N 3.28Å; K183-L185 VanDerWaalsContact C-N 3.27Å; K183-L185 PolarHBondContact O-N 3.38Å; K183-N186 PolarHBondContact O-N 3.44Å
184	S	97.7	Very high	97.4	Very high	84 Å²	84	71.5 Å²	71.5	59%	0.587	35%	0.353	S	S	*	.	H	α-helix	trans	-69	-21.6	-179.3	79	0	0	0	0	114.1	N180 Y181 V182 N186	N180-S184 PolarHBondContact O-N 2.85Å; Y181-S184 WeakPolarHBondContact O-CB 3.29Å; Y181-S184 PolarHBondContact O-N 3.37Å; Y181-S184 PolarHBondContact O-OG 3.25Å; V182-S184 VanDerWaalsContact C-N 3.28Å; V182-S184 PolarHBondContact O-N 2.95Å; S184-N186 VanDerWaalsContact C-N 3.25Å; S184-N186 PolarHBondContact O-N 3.26Å
185	L	96.7	Very high	97.3	Very high	31 Å²	31	77.4 Å²	77.4	16%	0.162	39%	0.394	C	S	.	.	H	α-helix	trans	-65.8	-28.2	179.5	-63.9	175.9	0	0	0	112.6	V147 L151 Y181 V182 K183 K187 V189	V147-L185 HydrophobicContact CG1-CD1 4.34Å; L151-L185 HydrophobicContact CD1-CD1 4.14Å; Y181-L185 HydrophobicContact CD1-CD1 4.38Å; Y181-L185 HydrophobicContact CD1-CD2 4.47Å; Y181-L185 HydrophobicContact CD1-CG 4.38Å; Y181-L185 HydrophobicContact CE1-CD1 4.21Å; Y181-L185 HydrophobicContact CE1-CD2 3.85Å; Y181-L185 HydrophobicContact CE1-CG 4.21Å; Y181-L185 PolarHBondContact O-N 2.9Å; V182-L185 WeakPolarHBondContact O-CB 3.35Å; V182-L185 PolarHBondContact O-N 2.88Å; K183-L185 VanDerWaalsContact C-N 3.27Å; K183-L185 PolarHBondContact O-N 3.38Å; L185-K187 HydrophobicContact CB-CB 4.25Å; L185-K187 HydrophobicContact CB-CG 4.3Å; L185-K187 WeakPolarHBondContact O-CG 3.49Å; L185-K187 PolarHBondContact O-N 3.38Å; L185-V189 HydrophobicContact CD1-CG2 4.39Å
186	N	95.3	Very high	97.1	Very high	153 Å²	153	79.6 Å²	79.6	82%	0.818	41%	0.406	S	S	*	.			trans	51	42.8	-173	-163.3	38.1	0	0	0	112.7	K183 S184	K183-N186 PolarHBondContact O-N 3.44Å; S184-N186 VanDerWaalsContact C-N 3.25Å; S184-N186 PolarHBondContact O-N 3.26Å
187	K	96.9	Very high	96.8	Very high	117 Å²	117	78 Å²	78	51%	0.509	39%	0.391	S	S	.	.	S	Bend	trans	-125.5	163.9	-179.5	-69.9	-62.9	-179.3	172.7	0	109.1	L151 L185 V189	L151-K187 HydrophobicContact CD1-CB 4.42Å; L151-K187 HydrophobicContact CD1-CG 4.29Å; L151-K187 HydrophobicContact CD2-CB 3.88Å; L151-K187 HydrophobicContact CD2-CD 4.47Å; L151-K187 HydrophobicContact CD2-CG 4.05Å; L185-K187 HydrophobicContact CB-CB 4.25Å; L185-K187 HydrophobicContact CB-CG 4.3Å; L185-K187 WeakPolarHBondContact O-CG 3.49Å; L185-K187 PolarHBondContact O-N 3.38Å; K187-V189 HydrophobicContact CB-CG2 4Å; K187-V189 PolarHBondContact O-N 3.39Å
188	P	96.4	Very high	96.5	Very high	62 Å²	62	75.5 Å²	75.5	40%	0.403	38%	0.382	S	S	.	.	S	Bend	trans	-74.9	59.2	179.2	34.2	-38.4	0	0	0	111.4	E161 I162	E161-P188 CarbonylContact C-O 3.57Å; E161-P188 WeakPolarHBondContact CA-O 3.46Å; I162-P188 PolarHBondContact N-O 2.93Å
189	V	98.5	Very high	96.1	Very high	13 Å²	13	75.7 Å²	75.7	8%	0.079	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	127.2	177.2	-170.9	0	0	0	0	107.3	V147 L151 I162 L164 V182 L185 K187	V147-V189 HydrophobicContact CG1-CG1 4.33Å; V147-V189 HydrophobicContact CG1-CG2 4.46Å; L151-V189 HydrophobicContact CD1-CG2 4.15Å; L151-V189 HydrophobicContact CD2-CG2 3.97Å; L151-V189 HydrophobicContact CG-CG2 4.44Å; I162-V189 HydrophobicContact CB-CB 4.41Å; I162-V189 HydrophobicContact CB-CG1 4.16Å; I162-V189 HydrophobicContact CB-CG2 4.17Å; I162-V189 HydrophobicContact CD1-CG2 4.05Å; I162-V189 HydrophobicContact CG1-CG2 4.38Å; I162-V189 HydrophobicContact CG2-CG1 4.28Å; I162-V189 WeakPolarHBondContact O-CA 3.42Å; L164-V189 HydrophobicContact CD1-CG1 4.08Å; L164-V189 HydrophobicContact CG-CG1 4.17Å; V182-V189 HydrophobicContact CG1-CB 3.96Å; V182-V189 HydrophobicContact CG1-CG1 3.87Å; V182-V189 WeakPolarHBondContact CG1-O 2.99Å; V182-V189 HydrophobicContact CG2-CG1 4.26Å; L185-V189 HydrophobicContact CD1-CG2 4.39Å; K187-V189 HydrophobicContact CB-CG2 4Å; K187-V189 PolarHBondContact O-N 3.39Å
190	R	97.5	Very high	95.7	Very high	89 Å²	89	71 Å²	71	34%	0.336	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	152.5	175.6	60.4	175.1	171.6	149.4	-2.9	111.2	E161 I162 I163 L164 I210	E161-R190 IonicContact OE1-NH2 2.71Å; E161-R190 PolarHBondContact OE1-NH2 3.28Å; E161-R190 IonicContact OE2-CZ 2.8Å; E161-R190 IonicContact OE2-NE 2.69Å; E161-R190 PolarHBondContact OE2-NE 3.25Å; E161-R190 IonicContact OE2-NH2 3.75Å; E161-R190 PolarHBondContact OE2-NH2 2.9Å; I162-R190 PolarHBondContact O-N 3.47Å; I163-R190 HydrophobicContact CG1-CG 4.34Å; L164-R190 PolarHBondContact N-O 2.86Å; R190-I210 PolarHBondContact NH2-O 2.71Å
191	I	98.4	Very high	95.4	Very high	48 Å²	48	66.2 Å²	66.2	25%	0.246	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	128.8	176	-54.8	166.1	0	0	0	107.6	L164 L178 K179 V182	L164-I191 HydrophobicContact CB-CG1 4.28Å; L164-I191 HydrophobicContact CD1-CG1 4.28Å; L164-I191 CarbonylContact O-C 3.55Å; L164-I191 WeakPolarHBondContact O-CA 3.32Å; L178-I191 HydrophobicContact CB-CD1 4.33Å; L178-I191 HydrophobicContact CD2-CD1 4.06Å; L178-I191 HydrophobicContact CG-CD1 3.7Å; K179-I191 HydrophobicContact CB-CD1 4.28Å; V182-I191 HydrophobicContact CB-CD1 4.08Å; V182-I191 HydrophobicContact CB-CG1 4.35Å; V182-I191 HydrophobicContact CG1-CG1 4.35Å; V182-I191 HydrophobicContact CG2-CD1 3.84Å; V182-I191 HydrophobicContact CG2-CG1 3.98Å
192	E	98	Very high	95.2	Very high	59 Å²	59	67.9 Å²	67.9	28%	0.276	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	114.1	171.3	179.3	65.4	-166.8	0	0	108.2	I163 L164 V165 D166 H206 I210	I163-E192 HydrophobicContact CG2-CB 4.28Å; L164-E192 PolarHBondContact O-N 3.06Å; V165-E192 CarbonylContact C-O 3.56Å; V165-E192 WeakPolarHBondContact CA-O 3.44Å; D166-E192 PolarHBondContact N-O 3.27Å; E192-H206 VanDerWaalsContact CG-CD2 3.45Å; E192-H206 WeakPolarHBondContact CG-CD2 3.41Å; E192-H206 WeakPolarHBondContact CG-NE2 3.12Å; E192-H206 IonicContact OE1-CD2 3.57Å; E192-H206 IonicContact OE1-CE1 2.89Å; E192-H206 IonicContact OE1-NE2 3.02Å; E192-H206 PolarHBondContact OE1-NE2 3.41Å; E192-I210 HydrophobicContact CB-CD1 3.74Å; E192-I210 HydrophobicContact CG-CD1 3.54Å
193	R	97.3	Very high	95.1	Very high	127 Å²	127	67.3 Å²	67.3	48%	0.479	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	120.5	-176.5	-177.1	171.1	-106.8	-130.6	-11.5	111	D166 S169	D166-R193 HydrophobicContact CB-CB 4.3Å; D166-R193 HydrophobicContact CB-CG 4.26Å; D166-R193 IonicContact OD2-CZ 3.13Å; D166-R193 IonicContact OD2-NE 2.75Å; D166-R193 PolarHBondContact OD2-NE 3.4Å; D166-R193 IonicContact OD2-NH2 2.71Å; D166-R193 PolarHBondContact OD2-NH2 3.46Å; S169-R193 PolarHBondContact O-NH2 3.38Å
194	M	97	Very high	95.1	Very high	28 Å²	28	59.2 Å²	59.2	14%	0.138	31%	0.307	C	S	.	.			trans	-77	145.5	175.1	-59.8	-175.9	69.4	0	0	110.7	V165 D166 S196 S198 A203 H206	V165-M194 HydrophobicContact CG1-CG 4.15Å; V165-M194 HydrophobicContact CG1-SD 3.94Å; D166-M194 PolarHBondContact O-N 2.89Å; M194-S196 VanDerWaalsContact C-N 3.34Å; M194-S198 WeakPolarHBondContact CE-OG 3.36Å; M194-A203 HydrophobicContact SD-CB 3.66Å; M194-H206 HydrophobicContact CE-CB 4.36Å; M194-H206 HydrophobicContact SD-CB 4.36Å
195	S	94.1	Very high	95	Very high	126 Å²	126	56.2 Å²	56.2	88%	0.881	28%	0.284	S	S	*	.	S	Bend	trans	-75.7	-21.3	-178.2	56.3	0	0	0	0	113.9
196	S	93.7	Very high	95.1	Very high	67 Å²	67	57.1 Å²	57.1	47%	0.469	29%	0.288	S	S	.	.	S	Bend	trans	-147.8	150.1	-178.4	62.5	0	0	0	0	110.8	M194 S198	M194-S196 VanDerWaalsContact C-N 3.34Å; S196-S198 PolarHBondContact O-N 3.29Å; S196-S198 VanDerWaalsContact O-N 3.07Å; S196-S198 PolarHBondContact O-OG 2.87Å
197	R	90.7	Very high	95.2	Very high	82 Å²	82	49.8 Å²	49.8	31%	0.309	25%	0.249	S	C	.	.			trans	-67.7	105.1	179.4	-174.1	177.2	177.3	-127.4	-8.9	109.7	A168 Y363 T364	A168-R197 HydrophobicContact CB-CB 4.37Å; R197-Y363 VanDerWaalsContact NH2-CD2 3.29Å; R197-T364 PolarHBondContact NH1-O 2.83Å; R197-T364 PolarHBondContact NH2-O 3.12Å
198	S	91.1	Very high	95.3	Very high	26 Å²	26	44.2 Å²	44.2	18%	0.182	22%	0.224	C	C	.	.			trans	-106	-17.8	-171.5	-60.9	0	0	0	0	112.9	D167 M194 S196	D167-S198 PolarHBondContact OD1-N 2.82Å; D167-S198 PolarHBondContact OD2-N 2.77Å; M194-S198 WeakPolarHBondContact CE-OG 3.36Å; S196-S198 PolarHBondContact O-N 3.29Å; S196-S198 VanDerWaalsContact O-N 3.07Å; S196-S198 PolarHBondContact O-OG 2.87Å
199	G	89.4	Confident	95.3	Very high	5 Å²	5	48.4 Å²	48.4	5%	0.052	24%	0.236	C	C	.	.			trans	94.1	164.3	-179.9	0	0	0	0	0	114	D167 I201 R202 A203	D167-G199 VanDerWaalsContact OD2-CA 3.29Å; D167-G199 WeakPolarHBondContact OD2-CA 3.46Å; D167-G199 PolarHBondContact OD2-N 2.62Å; G199-I201 VanDerWaalsContact C-N 3.34Å; G199-I201 PolarHBondContact O-N 3.19Å; G199-R202 PolarHBondContact O-N 3.11Å; G199-A203 WeakPolarHBondContact O-CB 3.43Å; G199-A203 PolarHBondContact O-N 2.9Å
200	L	90.7	Very high	95.3	Very high	32 Å²	32	49.8 Å²	49.8	17%	0.168	24%	0.243	C	C	.	.	H	α-helix	trans	-53.4	-48.5	-173.4	-176.2	72.6	0	0	0	112.2	V134 R202 A203 R204 I326 W327	V134-L200 HydrophobicContact CB-CD1 3.94Å; V134-L200 HydrophobicContact CG1-CD1 3.87Å; L200-R202 PolarHBondContact O-N 3.27Å; L200-A203 PolarHBondContact O-N 3.46Å; L200-R204 HydrophobicContact CD1-CG 4.36Å; L200-R204 HydrophobicContact CG-CG 4.41Å; L200-R204 WeakPolarHBondContact O-CB 3.26Å; L200-R204 VanDerWaalsContact O-CG 3.31Å; L200-R204 WeakPolarHBondContact O-CG 3.38Å; L200-R204 PolarHBondContact O-N 2.86Å; L200-I326 WeakPolarHBondContact CB-O 3.45Å; L200-I326 PolarHBondContact N-O 3.02Å; L200-W327 HydrophobicContact CB-CB 4.49Å
201	I	91.2	Very high	95.4	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-58.2	-50.8	-176.4	-62.2	172.3	0	0	0	110.8	G199 R204 L205 Y320 M324 I326 E330	G199-I201 VanDerWaalsContact C-N 3.34Å; G199-I201 PolarHBondContact O-N 3.19Å; I201-R204 PolarHBondContact O-N 3.25Å; I201-L205 HydrophobicContact CG2-CD1 4.26Å; I201-L205 WeakPolarHBondContact O-CG 3.4Å; I201-L205 PolarHBondContact O-N 2.91Å; I201-Y320 HydrophobicContact CG2-CD2 4.45Å; I201-Y320 HydrophobicContact CG2-CG 4.18Å; I201-M324 HydrophobicContact CD1-CB 3.65Å; I201-I326 PolarHBondContact N-O 2.94Å; I201-E330 HydrophobicContact CD1-CB 3.91Å; I201-E330 HydrophobicContact CD1-CG 4.22Å; I201-E330 HydrophobicContact CG1-CB 4.16Å; I201-E330 HydrophobicContact CG1-CG 4.02Å
202	R	93.6	Very high	95.3	Very high	90 Å²	90	47.9 Å²	47.9	34%	0.34	24%	0.243	S	C	.	.	H	α-helix	trans	-70.7	-36.6	-177.9	-67.8	-172.9	-178.3	122.7	1.6	112.4	G199 L200 L205 H206 E322	G199-R202 PolarHBondContact O-N 3.11Å; L200-R202 PolarHBondContact O-N 3.27Å; R202-L205 WeakPolarHBondContact O-CB 3.29Å; R202-L205 PolarHBondContact O-N 3.38Å; R202-H206 WeakPolarHBondContact O-CB 3.32Å; R202-H206 PolarHBondContact O-N 2.97Å; R202-E322 PolarHBondContact NE-O 3.47Å; R202-E322 PolarHBondContact NH2-O 2.97Å
203	A	95.7	Very high	95.4	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-65.4	-39.3	174.5	0	0	0	0	0	112	V134 V165 D167 M194 G199 L200 H206 G207	V134-A203 HydrophobicContact CB-CB 4.34Å; V134-A203 HydrophobicContact CG1-CB 3.43Å; V134-A203 VanDerWaalsContact CG1-CB 3.43Å; V134-A203 HydrophobicContact CG2-CB 3.9Å; V165-A203 HydrophobicContact CG1-CB 3.99Å; D167-A203 HydrophobicContact CB-CB 4.12Å; M194-A203 HydrophobicContact SD-CB 3.66Å; G199-A203 WeakPolarHBondContact O-CB 3.43Å; G199-A203 PolarHBondContact O-N 2.9Å; L200-A203 PolarHBondContact O-N 3.46Å; A203-H206 PolarHBondContact O-N 3.26Å; A203-G207 PolarHBondContact O-N 3.13Å
204	R	96.7	Very high	95.4	Very high	3 Å²	3	42.6 Å²	42.6	1%	0.011	22%	0.224	C	C	.	.	H	α-helix	trans	-64.4	-42.7	172.9	-74.8	-176.2	177.3	-173	-5.6	112.1	V134 L200 I201 H206 G207 A208 F218 D220 G304 G305 Y320	V134-R204 HydrophobicContact CG2-CB 4.39Å; V134-R204 HydrophobicContact CG2-CG 3.59Å; L200-R204 HydrophobicContact CD1-CG 4.36Å; L200-R204 HydrophobicContact CG-CG 4.41Å; L200-R204 WeakPolarHBondContact O-CB 3.26Å; L200-R204 VanDerWaalsContact O-CG 3.31Å; L200-R204 WeakPolarHBondContact O-CG 3.38Å; L200-R204 PolarHBondContact O-N 2.86Å; I201-R204 PolarHBondContact O-N 3.25Å; R204-H206 VanDerWaalsContact C-N 3.31Å; R204-H206 PolarHBondContact O-N 3.06Å; R204-G207 PolarHBondContact O-N 2.82Å; R204-A208 VanDerWaalsContact O-CB 3.29Å; R204-A208 WeakPolarHBondContact O-CB 2.91Å; R204-A208 PolarHBondContact O-N 3.33Å; R204-F218 HydrophobicContact CB-CD1 4.11Å; R204-F218 HydrophobicContact CB-CE1 3.81Å; R204-F218 HydrophobicContact CG-CD1 3.92Å; R204-F218 HydrophobicContact CG-CE1 4.15Å; R204-D220 IonicContact NH2-OD1 3.25Å; R204-D220 PolarHBondContact NH2-OD1 3.42Å; R204-G304 PolarHBondContact NH1-O 3.13Å; R204-G304 PolarHBondContact NH2-O 3.49Å; R204-G305 PolarHBondContact NH2-O 3.39Å; R204-Y320 HydrophobicContact CB-CD2 4.47Å; R204-Y320 HydrophobicContact CB-CE2 4.13Å; R204-Y320 PolarHBondContact NH1-OH 2.9Å
205	L	96.8	Very high	95.5	Very high	21 Å²	21	41.3 Å²	41.3	11%	0.11	22%	0.218	C	C	.	.	H	α-helix	trans	-59.7	-42.1	173.3	-75.2	170.1	0	0	0	111.8	I201 R202 A208 K209 F314 A319 Y320 E322	I201-L205 HydrophobicContact CG2-CD1 4.26Å; I201-L205 WeakPolarHBondContact O-CG 3.4Å; I201-L205 PolarHBondContact O-N 2.91Å; R202-L205 WeakPolarHBondContact O-CB 3.29Å; R202-L205 PolarHBondContact O-N 3.38Å; L205-A208 PolarHBondContact O-N 2.83Å; L205-K209 WeakPolarHBondContact O-CB 3.32Å; L205-K209 PolarHBondContact O-N 2.75Å; L205-F314 HydrophobicContact CD2-CE1 4.29Å; L205-F314 HydrophobicContact CD2-CZ 4.17Å; L205-A319 HydrophobicContact CD2-CB 3.65Å; L205-Y320 HydrophobicContact CD2-CD2 4.34Å; L205-Y320 HydrophobicContact CG-CD2 4.29Å; L205-E322 HydrophobicContact CD1-CG 3.95Å
206	H	97.6	Very high	95.7	Very high	50 Å²	50	35.3 Å²	35.3	23%	0.231	18%	0.176	C	C	.	.	H	α-helix	trans	-62.2	-50.1	176.6	-172	63.6	0	0	0	111.6	E192 M194 R202 A203 R204 A208 K209 I210	E192-H206 VanDerWaalsContact CG-CD2 3.45Å; E192-H206 WeakPolarHBondContact CG-CD2 3.41Å; E192-H206 WeakPolarHBondContact CG-NE2 3.12Å; E192-H206 IonicContact OE1-CD2 3.57Å; E192-H206 IonicContact OE1-CE1 2.89Å; E192-H206 IonicContact OE1-NE2 3.02Å; E192-H206 PolarHBondContact OE1-NE2 3.41Å; M194-H206 HydrophobicContact CE-CB 4.36Å; M194-H206 HydrophobicContact SD-CB 4.36Å; R202-H206 WeakPolarHBondContact O-CB 3.32Å; R202-H206 PolarHBondContact O-N 2.97Å; A203-H206 PolarHBondContact O-N 3.26Å; R204-H206 VanDerWaalsContact C-N 3.31Å; R204-H206 PolarHBondContact O-N 3.06Å; H206-A208 VanDerWaalsContact C-N 3.34Å; H206-A208 PolarHBondContact O-N 3.27Å; H206-K209 WeakPolarHBondContact O-CB 3.49Å; H206-K209 PolarHBondContact O-N 3.18Å; H206-K209 VanDerWaalsContact O-N 3.11Å; H206-I210 PolarHBondContact O-N 3.21Å
207	G	98.2	Very high	96	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-57.3	-45.2	175.1	0	0	0	0	0	112.6	A203 R204 K209 I210 S211	A203-G207 PolarHBondContact O-N 3.13Å; R204-G207 PolarHBondContact O-N 2.82Å; G207-K209 VanDerWaalsContact C-N 3.3Å; G207-K209 PolarHBondContact O-N 2.83Å; G207-I210 WeakPolarHBondContact O-CG1 3.39Å; G207-I210 PolarHBondContact O-N 2.9Å; G207-S211 WeakPolarHBondContact O-CB 3.38Å; G207-S211 PolarHBondContact O-N 3.43Å
208	A	98.2	Very high	96.4	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-62.1	-37	176.4	0	0	0	0	0	112.2	I132 R204 L205 H206 S211 L216 F218 F314 Y315	I132-A208 HydrophobicContact CD1-CB 4.17Å; R204-A208 VanDerWaalsContact O-CB 3.29Å; R204-A208 WeakPolarHBondContact O-CB 2.91Å; R204-A208 PolarHBondContact O-N 3.33Å; L205-A208 PolarHBondContact O-N 2.83Å; H206-A208 VanDerWaalsContact C-N 3.34Å; H206-A208 PolarHBondContact O-N 3.27Å; A208-S211 PolarHBondContact O-OG 3.41Å; A208-L216 HydrophobicContact CB-CD1 3.87Å; A208-F218 HydrophobicContact CB-CE1 4.44Å; A208-F218 HydrophobicContact CB-CZ 4.07Å; A208-F314 HydrophobicContact CB-CD1 4.32Å; A208-F314 HydrophobicContact CB-CE1 3.72Å; A208-F314 HydrophobicContact CB-CZ 4.4Å; A208-Y315 PolarHBondContact O-OH 2.92Å
209	K	98	Very high	96.7	Very high	150 Å²	150	27.2 Å²	27.2	65%	0.652	13%	0.131	S	C	*	.	H	α-helix	trans	-65.8	-44.4	-178.5	-175.6	177	179.2	178.2	0	112.1	L205 H206 G207 Y315	L205-K209 WeakPolarHBondContact O-CB 3.32Å; L205-K209 PolarHBondContact O-N 2.75Å; H206-K209 WeakPolarHBondContact O-CB 3.49Å; H206-K209 PolarHBondContact O-N 3.18Å; H206-K209 VanDerWaalsContact O-N 3.11Å; G207-K209 VanDerWaalsContact C-N 3.3Å; G207-K209 PolarHBondContact O-N 2.83Å; K209-Y315 WeakPolarHBondContact CA-OH 3.09Å; K209-Y315 PolarHBondContact N-OH 3.41Å
210	I	98.1	Very high	97.1	Very high	42 Å²	42	28.2 Å²	28.2	22%	0.215	14%	0.136	C	C	.	.	H	α-helix	trans	-85.6	-12.8	-177.2	67.1	164.8	0	0	0	113.8	I163 R190 E192 H206 G207	I163-I210 HydrophobicContact CD1-CG1 4.23Å; I163-I210 HydrophobicContact CG2-CD1 3.88Å; I163-I210 HydrophobicContact CG2-CG1 4.44Å; R190-I210 PolarHBondContact NH2-O 2.71Å; E192-I210 HydrophobicContact CB-CD1 3.74Å; E192-I210 HydrophobicContact CG-CD1 3.54Å; H206-I210 PolarHBondContact O-N 3.21Å; G207-I210 WeakPolarHBondContact O-CG1 3.39Å; G207-I210 PolarHBondContact O-N 2.9Å
211	S	98.3	Very high	97.4	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.007	13%	0.128	C	C	.	.			trans	-66.8	148	176.5	72	0	0	0	0	112.5	G207 A208 L216 R311	G207-S211 WeakPolarHBondContact O-CB 3.38Å; G207-S211 PolarHBondContact O-N 3.43Å; A208-S211 PolarHBondContact O-OG 3.41Å; S211-L216 WeakPolarHBondContact OG-CD2 3.01Å; S211-R311 PolarHBondContact O-NE 3.26Å; S211-R311 VanDerWaalsContact O-NE 3.12Å
212	T	98.1	Very high	97.7	Very high	95 Å²	95	28 Å²	28	58%	0.583	13%	0.134	S	C	*	.			trans	-124.1	-4.3	-174.1	56.1	0	0	0	0	114.4	H160 E161	H160-T212 PolarHBondContact CD2-OG1 3.12Å; H160-T212 PolarHBondContact NE2-OG1 3.31Å; E161-T212 PolarHBondContact OE1-N 3.32Å; E161-T212 PolarHBondContact OE1-OG1 3Å
213	G	98.3	Very high	97.9	Very high	4 Å²	4	23.8 Å²	23.8	4%	0.041	12%	0.118	C	C	.	.	S	Bend	trans	-68.8	160	174.5	0	0	0	0	0	113.1	S130 H160 T215	S130-G213 VanDerWaalsContact OG-CA 3.3Å; S130-G213 WeakPolarHBondContact OG-CA 3.37Å; S130-G213 PolarHBondContact OG-N 3.49Å; H160-G213 PolarHBondContact CD2-N 2.73Å; G213-T215 VanDerWaalsContact C-N 3.32Å
214	K	98.6	Very high	98	Very high	72 Å²	72	24 Å²	24	31%	0.313	12%	0.119	S	C	.	.	S	Bend	trans	-69.1	-35.2	176.1	179.3	64.1	177	176.9	0	111	P126 F127 K128 Q241 R311 E312	P126-K214 WeakPolarHBondContact O-CB 3.44Å; P126-K214 WeakPolarHBondContact O-CG 3.33Å; F127-K214 HydrophobicContact CD1-CG 4.18Å; K128-K214 PolarHBondContact O-N 3.39Å; K214-Q241 VanDerWaalsContact CE-OE1 3.31Å; K214-R311 PolarHBondContact O-N 2.99Å; K214-E312 IonicContact NZ-OE2 3.97Å; K214-E312 PolarHBondContact NZ-OE2 2.89Å
215	T	98.8	Very high	98.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	152.2	175.3	57.1	0	0	0	0	111.1	F127 K128 T129 S130 G213 L234 I237 I309 T310	F127-T215 HydrophobicContact CB-CG2 4.1Å; F127-T215 HydrophobicContact CD1-CG2 4.22Å; F127-T215 WeakPolarHBondContact O-CG2 3.37Å; F127-T215 PolarHBondContact O-OG1 3.24Å; K128-T215 PolarHBondContact O-N 3.26Å; K128-T215 PolarHBondContact O-OG1 2.74Å; T129-T215 WeakPolarHBondContact CA-O 3.46Å; T129-T215 WeakPolarHBondContact CA-OG1 3.35Å; T129-T215 WeakPolarHBondContact CB-OG1 3.38Å; T129-T215 PolarHBondContact N-OG1 2.89Å; T129-T215 PolarHBondContact OG1-O 2.84Å; T129-T215 PolarHBondContact OG1-OG1 3.48Å; S130-T215 PolarHBondContact N-O 3.08Å; G213-T215 VanDerWaalsContact C-N 3.32Å; T215-L234 HydrophobicContact CG2-CD2 3.9Å; T215-L234 WeakPolarHBondContact OG1-CD2 3.35Å; T215-I237 HydrophobicContact CG2-CD1 4.48Å; T215-I237 HydrophobicContact CG2-CG2 3.98Å; T215-I309 CarbonylContact C-O 3.57Å; T215-I309 WeakPolarHBondContact CA-O 3.37Å; T215-T310 HydrophobicContact CG2-CG2 4.34Å
216	L	98.8	Very high	98.2	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	123.9	173	-51.7	-179.3	0	0	0	107.1	I132 A208 S211 F218 T308 I309 R311 F314	I132-L216 HydrophobicContact CD1-CB 4.37Å; I132-L216 HydrophobicContact CD1-CD2 4.19Å; A208-L216 HydrophobicContact CB-CD1 3.87Å; S211-L216 WeakPolarHBondContact OG-CD2 3.01Å; L216-F218 HydrophobicContact CB-CE2 3.92Å; L216-F218 HydrophobicContact CB-CZ 4.33Å; L216-F218 HydrophobicContact CD1-CE2 4.35Å; L216-F218 HydrophobicContact CD1-CZ 4.23Å; L216-T308 VanDerWaalsContact O-CA 3.27Å; L216-T308 WeakPolarHBondContact O-CA 3.44Å; L216-T308 WeakPolarHBondContact O-CG2 3.26Å; L216-I309 HydrophobicContact CB-CG2 4.13Å; L216-I309 PolarHBondContact N-O 2.89Å; L216-I309 PolarHBondContact O-N 3.43Å; L216-R311 HydrophobicContact CD1-CB 4.28Å; L216-R311 HydrophobicContact CD1-CG 4.24Å; L216-R311 HydrophobicContact CD2-CB 3.97Å; L216-R311 HydrophobicContact CD2-CG 4.03Å; L216-R311 HydrophobicContact CG-CB 3.91Å; L216-R311 HydrophobicContact CG-CG 4.25Å; L216-F314 HydrophobicContact CD1-CB 4.09Å; L216-F314 HydrophobicContact CD1-CD1 3.79Å; L216-F314 HydrophobicContact CD1-CE1 4.38Å; L216-F314 HydrophobicContact CD1-CG 3.95Å
217	T	98.8	Very high	98.1	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.006	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	114.2	170.9	-61.7	0	0	0	0	108.4	T129 S130 V131 I132 L219 W229 F307 T308	T129-T217 WeakPolarHBondContact OG1-CB 3.34Å; T129-T217 PolarHBondContact OG1-N 2.85Å; T129-T217 PolarHBondContact OG1-OG1 3.03Å; S130-T217 PolarHBondContact O-N 2.96Å; V131-T217 CarbonylContact C-O 3.53Å; V131-T217 VanDerWaalsContact CA-O 3.31Å; V131-T217 WeakPolarHBondContact CA-O 3.43Å; I132-T217 PolarHBondContact N-O 2.85Å; T217-L219 HydrophobicContact CG2-CG 4.34Å; T217-W229 HydrophobicContact CG2-CH2 3.77Å; T217-W229 HydrophobicContact CG2-CZ3 3.72Å; T217-F307 WeakPolarHBondContact CA-O 3.46Å; T217-T308 WeakPolarHBondContact CG2-OG1 3.42Å; T217-T308 VanDerWaalsContact OG1-CG2 3.26Å; T217-T308 WeakPolarHBondContact OG1-CG2 3.23Å; T217-T308 PolarHBondContact OG1-OG1 3.33Å
218	F	98.6	Very high	97.9	Very high	1 Å²	1	24.5 Å²	24.5	0%	0.004	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	133.1	175.5	-63.4	-86.1	0	0	0	109.6	I132 R204 A208 L216 L306 F307 I309 F314	I132-F218 HydrophobicContact CB-CD1 3.98Å; I132-F218 HydrophobicContact CB-CE1 4.19Å; I132-F218 HydrophobicContact CD1-CD1 4.24Å; I132-F218 HydrophobicContact CD1-CE1 3.67Å; I132-F218 HydrophobicContact CD1-CZ 4Å; I132-F218 HydrophobicContact CG2-CD1 4.07Å; I132-F218 HydrophobicContact CG2-CE1 4.14Å; R204-F218 HydrophobicContact CB-CD1 4.11Å; R204-F218 HydrophobicContact CB-CE1 3.81Å; R204-F218 HydrophobicContact CG-CD1 3.92Å; R204-F218 HydrophobicContact CG-CE1 4.15Å; A208-F218 HydrophobicContact CB-CE1 4.44Å; A208-F218 HydrophobicContact CB-CZ 4.07Å; L216-F218 HydrophobicContact CB-CE2 3.92Å; L216-F218 HydrophobicContact CB-CZ 4.33Å; L216-F218 HydrophobicContact CD1-CE2 4.35Å; L216-F218 HydrophobicContact CD1-CZ 4.23Å; F218-L306 WeakPolarHBondContact O-CA 3.24Å; F218-F307 HydrophobicContact CB-CD1 4.29Å; F218-F307 HydrophobicContact CB-CE1 4.02Å; F218-F307 HydrophobicContact CB-CZ 4.42Å; F218-F307 HydrophobicContact CD2-CD1 4.32Å; F218-F307 HydrophobicContact CD2-CD2 4.08Å; F218-F307 AromaticContact CD2-CE1 3.68Å; F218-F307 HydrophobicContact CD2-CE1 3.68Å; F218-F307 AromaticContact CD2-CE2 3.44Å; F218-F307 HydrophobicContact CD2-CE2 3.44Å; F218-F307 VanDerWaalsContact CD2-CE2 3.44Å; F218-F307 AromaticContact CD2-CZ 3.2Å; F218-F307 HydrophobicContact CD2-CZ 3.2Å; F218-F307 HydrophobicContact CE2-CE1 4.44Å; F218-F307 AromaticContact CE2-CE2 3.7Å; F218-F307 HydrophobicContact CE2-CE2 3.7Å; F218-F307 AromaticContact CE2-CZ 3.57Å; F218-F307 HydrophobicContact CE2-CZ 3.57Å; F218-F307 HydrophobicContact CG-CE1 4.03Å; F218-F307 AromaticContact CG-CZ 3.97Å; F218-F307 HydrophobicContact CG-CZ 3.97Å; F218-F307 PolarHBondContact N-O 2.92Å; F218-F307 PolarHBondContact O-N 2.72Å; F218-I309 HydrophobicContact CE2-CG2 4.38Å; F218-F314 HydrophobicContact CE2-CE2 4.35Å; F218-F314 HydrophobicContact CZ-CE2 4.32Å; F218-F314 HydrophobicContact CZ-CZ 4.2Å
219	L	98.6	Very high	97.9	Very high	3 Å²	3	24.6 Å²	24.6	2%	0.016	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	145.2	172.3	-67.2	178.5	0	0	0	109.9	V131 I132 I133 V150 T217 V225 W229 L306 V353	V131-L219 HydrophobicContact CG1-CD1 3.73Å; V131-L219 HydrophobicContact CG1-CG 4.19Å; I132-L219 PolarHBondContact O-N 2.98Å; I133-L219 WeakPolarHBondContact CA-O 3.37Å; I133-L219 HydrophobicContact CG1-CB 4.05Å; V150-L219 HydrophobicContact CG2-CD1 3.61Å; T217-L219 HydrophobicContact CG2-CG 4.34Å; L219-V225 HydrophobicContact CD1-CG1 3.91Å; L219-V225 HydrophobicContact CD2-CG1 4.48Å; L219-W229 HydrophobicContact CD1-CH2 3.86Å; L219-W229 HydrophobicContact CD1-CZ3 4.18Å; L219-W229 HydrophobicContact CD2-CZ3 4.11Å; L219-L306 HydrophobicContact CB-CD2 4.39Å; L219-L306 HydrophobicContact CD2-CB 4.38Å; L219-L306 HydrophobicContact CD2-CD2 3.84Å; L219-V353 HydrophobicContact CD2-CG1 4.34Å
220	D	97.2	Very high	97.9	Very high	27 Å²	27	17.4 Å²	17.4	14%	0.144	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	155.7	167.6	-69.1	-16.6	0	0	0	110.3	R204 H222 L306 H355	R204-D220 IonicContact NH2-OD1 3.25Å; R204-D220 PolarHBondContact NH2-OD1 3.42Å; D220-H222 PolarHBondContact O-N 2.91Å; D220-H222 VanDerWaalsContact O-N 3.09Å; D220-L306 HydrophobicContact CB-CD2 4.29Å; D220-H355 IonicContact OD2-CD2 3.49Å; D220-H355 IonicContact OD2-CE1 2.78Å; D220-H355 IonicContact OD2-NE2 3.89Å; D220-H355 PolarHBondContact OD2-NE2 3.1Å
221	A	97.6	Very high	97.9	Very high	2 Å²	2	17 Å²	17	2%	0.017	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	8.2	-172.1	0	0	0	0	0	115.7	I133 F135 E138 A142 L143 T146	I133-A221 HydrophobicContact CG2-CB 3.76Å; F135-A221 HydrophobicContact CB-CB 3.66Å; E138-A221 HydrophobicContact CB-CB 4.49Å; E138-A221 HydrophobicContact CG-CB 3.87Å; A142-A221 CarbonylContact C-O 3.54Å; L143-A221 WeakPolarHBondContact CA-O 3.39Å; L143-A221 HydrophobicContact CD1-CB 4.04Å; L143-A221 PolarHBondContact N-O 3.31Å; T146-A221 PolarHBondContact OG1-O 2.67Å
222	H	97.3	Very high	97.9	Very high	27 Å²	27	17.5 Å²	17.5	13%	0.125	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136.2	46	-178	44	-87.4	0	0	0	110.1	E138 A142 T146 D220 H355 V356 R358	E138-H222 IonicContact OE2-CE1 3.93Å; E138-H222 IonicContact OE2-CG 3.13Å; E138-H222 IonicContact OE2-ND1 3.02Å; E138-H222 PolarHBondContact OE2-ND1 2.98Å; A142-H222 HydrophobicContact CB-CB 4.22Å; T146-H222 PolarHBondContact OG1-N 3.32Å; D220-H222 PolarHBondContact O-N 2.91Å; D220-H222 VanDerWaalsContact O-N 3.09Å; H222-H355 AromaticContact CD2-CE1 3.62Å; H222-H355 AromaticContact CD2-NE2 3.68Å; H222-H355 AromaticContact NE2-CE1 3.32Å; H222-H355 PolarHBondContact NE2-CE1 2.87Å; H222-H355 VanDerWaalsContact NE2-CE1 3.32Å; H222-H355 AromaticContact NE2-NE2 3.31Å; H222-H355 PolarHBondContact NE2-NE2 3.29Å; H222-V356 HydrophobicContact CB-CB 4.2Å; H222-V356 HydrophobicContact CB-CG2 4.2Å; H222-V356 PolarHBondContact CD2-O 3.24Å; H222-V356 WeakPolarHBondContact O-CG2 3.32Å; H222-V356 PolarHBondContact O-N 3.08Å; H222-V356 VanDerWaalsContact O-N 3.13Å; H222-R358 PolarHBondContact CE1-NH2 2.85Å; H222-R358 VanDerWaalsContact CE1-NH2 3.3Å; H222-R358 PolarHBondContact ND1-NH2 2.78Å
223	C	98.3	Very high	97.9	Very high	1 Å²	1	13 Å²	13	1%	0.007	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	158.8	176.2	-72.6	0	0	0	0	112.7	T146 L306 V353 G354 H355	T146-C223 WeakPolarHBondContact CA-O 3.41Å; T146-C223 WeakPolarHBondContact CB-O 3.05Å; T146-C223 HydrophobicContact CG2-CB 4.1Å; T146-C223 PolarHBondContact OG1-N 2.8Å; T146-C223 PolarHBondContact OG1-O 2.89Å; C223-L306 WeakPolarHBondContact SG-CD2 3.41Å; C223-V353 HydrophobicContact CB-CG1 3.91Å; C223-G354 CarbonylContact C-O 3.52Å; C223-G354 WeakPolarHBondContact CA-O 3.17Å; C223-G354 WeakPolarHBondContact CB-O 3.36Å; C223-H355 VanDerWaalsContact SG-CD2 3.53Å
224	E	98.1	Very high	97.9	Very high	3 Å²	3	12.9 Å²	12.9	1%	0.014	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	108.7	165.2	-73.8	174.7	-118.3	0	0	108.7	R105 L107 R145 I252 G354	R105-E224 IonicContact CZ-OE1 3.48Å; R105-E224 IonicContact CZ-OE2 3.62Å; R105-E224 IonicContact NE-OE1 3.92Å; R105-E224 IonicContact NE-OE2 3.53Å; R105-E224 PolarHBondContact NE-OE2 3.42Å; R105-E224 IonicContact NH2-OE1 2.7Å; R105-E224 PolarHBondContact NH2-OE1 3.19Å; R105-E224 IonicContact NH2-OE2 3.11Å; R105-E224 PolarHBondContact NH2-OE2 3.44Å; R105-E224 VanDerWaalsContact NH2-OE2 3.12Å; L107-E224 HydrophobicContact CD1-CB 4.12Å; R145-E224 VanDerWaalsContact CD-CD 3.4Å; R145-E224 WeakPolarHBondContact CD-OE1 3.43Å; R145-E224 HydrophobicContact CG-CG 3.75Å; R145-E224 IonicContact NE-OE1 2.76Å; R145-E224 PolarHBondContact NE-OE1 3.41Å; E224-I252 HydrophobicContact CB-CD1 3.99Å; E224-I252 HydrophobicContact CG-CD1 4.08Å; E224-G354 PolarHBondContact N-O 3.34Å; E224-G354 PolarHBondContact O-N 3.47Å
225	V	98.4	Very high	97.9	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	149	176.7	-55.8	0	0	0	0	110.5	S149 V150 R153 L219 W229 V353	S149-V225 WeakPolarHBondContact O-CG2 3.14Å; S149-V225 PolarHBondContact OG-N 3.33Å; V150-V225 HydrophobicContact CG2-CG1 4.16Å; V150-V225 HydrophobicContact CG2-CG2 4.15Å; R153-V225 HydrophobicContact CB-CG2 4.36Å; R153-V225 WeakPolarHBondContact CD-O 3.37Å; R153-V225 PolarHBondContact NH1-O 3.04Å; L219-V225 HydrophobicContact CD1-CG1 3.91Å; L219-V225 HydrophobicContact CD2-CG1 4.48Å; V225-W229 HydrophobicContact CB-CB 4.29Å; V225-W229 HydrophobicContact CB-CD2 3.59Å; V225-W229 HydrophobicContact CB-CE3 4.17Å; V225-W229 HydrophobicContact CB-CG 3.61Å; V225-W229 HydrophobicContact CB-CZ2 4.44Å; V225-W229 HydrophobicContact CG1-CD2 3.67Å; V225-W229 HydrophobicContact CG1-CE3 3.77Å; V225-W229 HydrophobicContact CG1-CG 4.24Å; V225-W229 HydrophobicContact CG1-CH2 4.13Å; V225-W229 HydrophobicContact CG1-CZ2 4.05Å; V225-W229 HydrophobicContact CG1-CZ3 3.99Å; V225-W229 HydrophobicContact CG2-CD2 4.1Å; V225-W229 HydrophobicContact CG2-CG 4.11Å; V225-W229 HydrophobicContact CG2-CZ2 4.31Å; V225-V353 HydrophobicContact CB-CG2 4.35Å; V225-V353 HydrophobicContact CG1-CG1 3.91Å; V225-V353 HydrophobicContact CG1-CG2 3.93Å
226	T	97.2	Very high	97.8	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.068	C	C	.	.			trans	-102.6	177.2	-179.6	68.7	0	0	0	0	112.3	L107 F110 G228 W229 Y259 R352	L107-T226 HydrophobicContact CD1-CG2 4.4Å; F110-T226 HydrophobicContact CD2-CG2 4.27Å; T226-G228 PolarHBondContact O-N 3.18Å; T226-W229 WeakPolarHBondContact O-CB 3.31Å; T226-W229 PolarHBondContact O-N 3.22Å; T226-Y259 HydrophobicContact CG2-CE2 4.43Å; T226-Y259 WeakPolarHBondContact CG2-OH 3.48Å; T226-R352 HydrophobicContact CG2-CB 4.21Å; T226-R352 PolarHBondContact N-O 3.31Å; T226-R352 WeakPolarHBondContact OG1-CB 3.23Å; T226-R352 PolarHBondContact OG1-O 3.13Å
227	I	95.7	Very high	97.8	Very high	81 Å²	81	13.8 Å²	13.8	42%	0.415	7%	0.068	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	134.4	175.5	-62.8	173.6	0	0	0	109.8	R111 W229	R111-I227 PolarHBondContact NE-O 3.2Å; I227-W229 VanDerWaalsContact C-N 3.26Å; I227-W229 PolarHBondContact O-N 3.37Å
228	G	95.7	Very high	97.7	Very high	4 Å²	4	15.7 Å²	15.7	4%	0.041	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	12.3	175.7	0	0	0	0	0	115.3	T226 L230 E231	T226-G228 PolarHBondContact O-N 3.18Å; G228-L230 VanDerWaalsContact C-N 3.3Å; G228-L230 PolarHBondContact O-N 3.45Å; G228-E231 VanDerWaalsContact CA-OE2 3.26Å; G228-E231 WeakPolarHBondContact CA-OE2 3.43Å
229	W	97.7	Very high	97.7	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.008	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-28.4	-174.4	76.5	-74.7	0	0	0	113.9	V150 T154 T217 L219 V225 T226 I227 L233 S351 V353	V150-W229 HydrophobicContact CG1-CZ2 4.26Å; V150-W229 HydrophobicContact CG2-CZ2 4.31Å; T154-W229 PolarHBondContact OG1-NE1 3.38Å; T154-W229 VanDerWaalsContact OG1-NE1 3.08Å; T217-W229 HydrophobicContact CG2-CH2 3.77Å; T217-W229 HydrophobicContact CG2-CZ3 3.72Å; L219-W229 HydrophobicContact CD1-CH2 3.86Å; L219-W229 HydrophobicContact CD1-CZ3 4.18Å; L219-W229 HydrophobicContact CD2-CZ3 4.11Å; V225-W229 HydrophobicContact CB-CB 4.29Å; V225-W229 HydrophobicContact CB-CD2 3.59Å; V225-W229 HydrophobicContact CB-CE3 4.17Å; V225-W229 HydrophobicContact CB-CG 3.61Å; V225-W229 HydrophobicContact CB-CZ2 4.44Å; V225-W229 HydrophobicContact CG1-CD2 3.67Å; V225-W229 HydrophobicContact CG1-CE3 3.77Å; V225-W229 HydrophobicContact CG1-CG 4.24Å; V225-W229 HydrophobicContact CG1-CH2 4.13Å; V225-W229 HydrophobicContact CG1-CZ2 4.05Å; V225-W229 HydrophobicContact CG1-CZ3 3.99Å; V225-W229 HydrophobicContact CG2-CD2 4.1Å; V225-W229 HydrophobicContact CG2-CG 4.11Å; V225-W229 HydrophobicContact CG2-CZ2 4.31Å; T226-W229 WeakPolarHBondContact O-CB 3.31Å; T226-W229 PolarHBondContact O-N 3.22Å; I227-W229 VanDerWaalsContact C-N 3.26Å; I227-W229 PolarHBondContact O-N 3.37Å; W229-L233 HydrophobicContact CE3-CD1 4.33Å; W229-L233 VanDerWaalsContact O-CD1 3.28Å; W229-L233 WeakPolarHBondContact O-CD1 3.14Å; W229-L233 VanDerWaalsContact O-CG 3.31Å; W229-L233 WeakPolarHBondContact O-CG 3.41Å; W229-S351 WeakPolarHBondContact O-CB 3.12Å; W229-S351 PolarHBondContact O-OG 2.88Å; W229-V353 HydrophobicContact CB-CG2 4.45Å; W229-V353 HydrophobicContact CE3-CG2 3.86Å
230	L	98.4	Very high	97.7	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	-37.8	-172.3	-178.7	65.5	0	0	0	112.2	T129 T154 L158 G228 T232 L233 L234	T129-L230 HydrophobicContact CG2-CD1 3.93Å; T129-L230 HydrophobicContact CG2-CD2 3.58Å; T129-L230 HydrophobicContact CG2-CG 4.41Å; T154-L230 HydrophobicContact CG2-CD2 3.4Å; L158-L230 HydrophobicContact CB-CD2 4.23Å; G228-L230 VanDerWaalsContact C-N 3.3Å; G228-L230 PolarHBondContact O-N 3.45Å; L230-T232 VanDerWaalsContact C-N 3.31Å; L230-T232 PolarHBondContact O-N 2.95Å; L230-L233 WeakPolarHBondContact O-CB 3.32Å; L230-L233 PolarHBondContact O-N 2.96Å; L230-L233 VanDerWaalsContact O-N 3.16Å; L230-L234 HydrophobicContact CD1-CD1 4.25Å; L230-L234 HydrophobicContact CD1-CD2 4.34Å; L230-L234 HydrophobicContact CD1-CG 3.98Å; L230-L234 HydrophobicContact CD2-CD1 3.97Å; L230-L234 HydrophobicContact CG-CD1 3.83Å; L230-L234 HydrophobicContact CG-CG 3.96Å; L230-L234 PolarHBondContact O-N 3.36Å
231	E	97.8	Very high	97.7	Very high	33 Å²	33	25 Å²	25	15%	0.154	13%	0.126	C	C	.	.	H	α-helix	trans	-60.2	-41.5	-167.8	-64.8	92.4	136.8	0	0	111.9	I119 L121 L124 P155 L158 G228 K235	I119-E231 HydrophobicContact CD1-CB 3.97Å; L121-E231 HydrophobicContact CD2-CG 4.1Å; L124-E231 HydrophobicContact CD1-CB 4.11Å; L124-E231 WeakPolarHBondContact CD1-O 3.44Å; P155-E231 WeakPolarHBondContact CD-OE1 3.46Å; P155-E231 HydrophobicContact CG-CG 4.12Å; P155-E231 WeakPolarHBondContact CG-OE1 3.37Å; L158-E231 HydrophobicContact CD1-CG 3.96Å; G228-E231 VanDerWaalsContact CA-OE2 3.26Å; G228-E231 WeakPolarHBondContact CA-OE2 3.43Å; E231-K235 WeakPolarHBondContact O-CB 3.43Å; E231-K235 PolarHBondContact O-N 3.42Å
232	T	97	Very high	97.8	Very high	12 Å²	12	28.6 Å²	28.6	7%	0.074	14%	0.141	C	C	.	.	H	α-helix	trans	-73.1	-36.8	179.5	60.5	0	0	0	0	111.6	I119 L230 L234 K235 H236 D348 C350	I119-T232 HydrophobicContact CD1-CG2 3.54Å; L230-T232 VanDerWaalsContact C-N 3.31Å; L230-T232 PolarHBondContact O-N 2.95Å; T232-L234 PolarHBondContact O-N 3.35Å; T232-K235 WeakPolarHBondContact O-CB 3.3Å; T232-K235 PolarHBondContact O-N 2.79Å; T232-H236 PolarHBondContact O-CD2 3.24Å; T232-H236 PolarHBondContact O-N 2.76Å; T232-D348 WeakPolarHBondContact CB-OD2 3.49Å; T232-D348 PolarHBondContact OG1-OD2 2.72Å; T232-C350 HydrophobicContact CG2-CB 3.79Å
233	L	98.5	Very high	97.8	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-58.9	-47.4	172.4	-56.6	179.2	0	0	0	111.1	W229 L230 H236 I237 V245 D348	W229-L233 HydrophobicContact CE3-CD1 4.33Å; W229-L233 VanDerWaalsContact O-CD1 3.28Å; W229-L233 WeakPolarHBondContact O-CD1 3.14Å; W229-L233 VanDerWaalsContact O-CG 3.31Å; W229-L233 WeakPolarHBondContact O-CG 3.41Å; L230-L233 WeakPolarHBondContact O-CB 3.32Å; L230-L233 PolarHBondContact O-N 2.96Å; L230-L233 VanDerWaalsContact O-N 3.16Å; L233-H236 PolarHBondContact O-N 3.15Å; L233-I237 WeakPolarHBondContact O-CG1 3.37Å; L233-I237 PolarHBondContact O-N 3Å; L233-V245 HydrophobicContact CD2-CB 4.07Å; L233-V245 HydrophobicContact CD2-CG1 3.49Å; L233-V245 VanDerWaalsContact CD2-CG1 3.49Å; L233-D348 HydrophobicContact CD2-CB 4.02Å
234	L	98.6	Very high	97.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-68	-35.7	177.7	-66.2	-175.2	0	0	0	112.4	L124 F127 L158 T215 L230 T232 I237 S238 T308	L124-L234 HydrophobicContact CD1-CB 4.34Å; L124-L234 HydrophobicContact CD2-CB 4.19Å; F127-L234 HydrophobicContact CB-CD2 4.41Å; F127-L234 WeakPolarHBondContact O-CD2 3.27Å; L158-L234 HydrophobicContact CB-CD1 4.25Å; L158-L234 HydrophobicContact CD1-CD1 4.21Å; T215-L234 HydrophobicContact CG2-CD2 3.9Å; T215-L234 WeakPolarHBondContact OG1-CD2 3.35Å; L230-L234 HydrophobicContact CD1-CD1 4.25Å; L230-L234 HydrophobicContact CD1-CD2 4.34Å; L230-L234 HydrophobicContact CD1-CG 3.98Å; L230-L234 HydrophobicContact CD2-CD1 3.97Å; L230-L234 HydrophobicContact CG-CD1 3.83Å; L230-L234 HydrophobicContact CG-CG 3.96Å; L230-L234 PolarHBondContact O-N 3.36Å; T232-L234 PolarHBondContact O-N 3.35Å; L234-I237 PolarHBondContact O-N 2.96Å; L234-S238 WeakPolarHBondContact O-CB 3.37Å; L234-S238 PolarHBondContact O-N 2.97Å; L234-T308 HydrophobicContact CD2-CG2 4.11Å
235	K	97.9	Very high	97.9	Very high	77 Å²	77	29 Å²	29	34%	0.335	14%	0.141	S	C	.	.	H	α-helix	trans	-56.8	-51.3	173.4	176.7	-178.5	173.3	-90.7	0	110.6	I119 L124 E231 T232 I237 S238 E239	I119-K235 HydrophobicContact CD1-CB 4.28Å; I119-K235 HydrophobicContact CD1-CD 4Å; I119-K235 HydrophobicContact CG1-CD 4.39Å; L124-K235 HydrophobicContact CD2-CB 4.19Å; E231-K235 WeakPolarHBondContact O-CB 3.43Å; E231-K235 PolarHBondContact O-N 3.42Å; T232-K235 WeakPolarHBondContact O-CB 3.3Å; T232-K235 PolarHBondContact O-N 2.79Å; K235-I237 VanDerWaalsContact C-N 3.3Å; K235-I237 PolarHBondContact O-N 3.19Å; K235-S238 PolarHBondContact O-N 2.67Å; K235-S238 VanDerWaalsContact O-N 3.12Å; K235-S238 PolarHBondContact O-OG 3Å; K235-E239 WeakPolarHBondContact CE-OE1 3.13Å; K235-E239 IonicContact NZ-OE1 3.21Å; K235-E239 PolarHBondContact NZ-OE1 2.85Å; K235-E239 WeakPolarHBondContact O-CG 3.29Å; K235-E239 PolarHBondContact O-N 3.42Å; K235-E239 VanDerWaalsContact O-N 3.17Å
236	H	97.9	Very high	97.9	Very high	15 Å²	15	29.4 Å²	29.4	7%	0.069	14%	0.144	C	C	.	.	H	α-helix	trans	-62.6	-36.4	-179.8	-71.1	-50.1	0	0	0	113	T232 L233 E239 N240 R243 V245 P296 D348	T232-H236 PolarHBondContact O-CD2 3.24Å; T232-H236 PolarHBondContact O-N 2.76Å; L233-H236 PolarHBondContact O-N 3.15Å; H236-E239 IonicContact ND1-OE2 2.89Å; H236-E239 PolarHBondContact O-N 2.72Å; H236-N240 PolarHBondContact O-N 3.47Å; H236-R243 WeakPolarHBondContact O-CD 3.09Å; H236-R243 PolarHBondContact O-NH1 2.98Å; H236-V245 HydrophobicContact CB-CG1 4.31Å; H236-V245 HydrophobicContact CB-CG2 3.81Å; H236-P296 WeakPolarHBondContact CE1-CG 3.36Å; H236-P296 WeakPolarHBondContact NE2-CG 3.3Å; H236-D348 IonicContact CD2-OD2 2.82Å; H236-D348 IonicContact NE2-OD1 3.01Å; H236-D348 IonicContact NE2-OD2 3.57Å
237	I	98.4	Very high	98	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-68.7	-37.3	174.3	-71.5	171.5	0	0	0	112.1	F127 T215 L233 L234 K235 E239 N240 Q241 V245 T308 T310	F127-I237 HydrophobicContact CD1-CG2 4.05Å; F127-I237 HydrophobicContact CE1-CG2 4.37Å; T215-I237 HydrophobicContact CG2-CD1 4.48Å; T215-I237 HydrophobicContact CG2-CG2 3.98Å; L233-I237 WeakPolarHBondContact O-CG1 3.37Å; L233-I237 PolarHBondContact O-N 3Å; L234-I237 PolarHBondContact O-N 2.96Å; K235-I237 VanDerWaalsContact C-N 3.3Å; K235-I237 PolarHBondContact O-N 3.19Å; I237-E239 VanDerWaalsContact C-N 3.25Å; I237-E239 PolarHBondContact O-N 2.88Å; I237-N240 CarbonylContact O-C 3.55Å; I237-N240 PolarHBondContact O-N 3.13Å; I237-Q241 WeakPolarHBondContact O-CA 3.48Å; I237-Q241 PolarHBondContact O-N 3Å; I237-V245 HydrophobicContact CD1-CG2 4.4Å; I237-V245 HydrophobicContact CG1-CG2 3.81Å; I237-T308 HydrophobicContact CD1-CG2 3.32Å; I237-T310 HydrophobicContact CG2-CG2 3.35Å
238	S	97.7	Very high	98.1	Very high	41 Å²	41	26 Å²	26	29%	0.287	13%	0.126	S	C	.	.	H	α-helix	trans	-64.9	-31.9	178.4	76.1	0	0	0	0	112.6	L234 K235	L234-S238 WeakPolarHBondContact O-CB 3.37Å; L234-S238 PolarHBondContact O-N 2.97Å; K235-S238 PolarHBondContact O-N 2.67Å; K235-S238 VanDerWaalsContact O-N 3.12Å; K235-S238 PolarHBondContact O-OG 3Å
239	E	97.5	Very high	98.2	Very high	103 Å²	103	26.8 Å²	26.8	48%	0.481	13%	0.129	S	C	.	.	H	α-helix	trans	-74.8	-35.1	176.6	-68	165.2	-178.8	0	0	112.3	K235 H236 I237 R243	K235-E239 WeakPolarHBondContact CE-OE1 3.13Å; K235-E239 IonicContact NZ-OE1 3.21Å; K235-E239 PolarHBondContact NZ-OE1 2.85Å; K235-E239 WeakPolarHBondContact O-CG 3.29Å; K235-E239 PolarHBondContact O-N 3.42Å; K235-E239 VanDerWaalsContact O-N 3.17Å; H236-E239 IonicContact ND1-OE2 2.89Å; H236-E239 PolarHBondContact O-N 2.72Å; I237-E239 VanDerWaalsContact C-N 3.25Å; I237-E239 PolarHBondContact O-N 2.88Å; E239-R243 IonicContact OE2-NH1 3.25Å; E239-R243 PolarHBondContact OE2-NH1 3.08Å
240	N	98.3	Very high	98.2	Very high	48 Å²	48	26.7 Å²	26.7	26%	0.257	13%	0.129	S	C	.	.			trans	-151.2	109.5	175	175.2	8.6	0	0	0	110	H236 I237 K242 R243 E344	H236-N240 PolarHBondContact O-N 3.47Å; I237-N240 CarbonylContact O-C 3.55Å; I237-N240 PolarHBondContact O-N 3.13Å; N240-K242 PolarHBondContact O-N 2.97Å; N240-K242 VanDerWaalsContact O-N 3.16Å; N240-K242 WeakPolarHBondContact OD1-CB 3.41Å; N240-K242 PolarHBondContact OD1-N 2.56Å; N240-R243 HydrophobicContact CB-CG 4.09Å; N240-R243 WeakPolarHBondContact O-CB 3.46Å; N240-R243 PolarHBondContact O-N 3.36Å; N240-E344 PolarHBondContact ND2-OE2 2.89Å; N240-E344 VanDerWaalsContact ND2-OE2 3.08Å
241	Q	98.4	Very high	98.1	Very high	76 Å²	76	29.2 Å²	29.2	36%	0.355	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-11.4	-176.8	-68.8	-173.7	65.7	0	0	114	F127 K214 I237 R243 T310 Y313	F127-Q241 HydrophobicContact CE1-CG 3.88Å; F127-Q241 HydrophobicContact CZ-CG 4.42Å; K214-Q241 VanDerWaalsContact CE-OE1 3.31Å; I237-Q241 WeakPolarHBondContact O-CA 3.48Å; I237-Q241 PolarHBondContact O-N 3Å; Q241-R243 PolarHBondContact O-N 3.36Å; Q241-T310 HydrophobicContact CB-CG2 3.84Å; Q241-T310 HydrophobicContact CG-CG2 3.94Å; Q241-T310 PolarHBondContact O-OG1 3.23Å; Q241-Y313 WeakPolarHBondContact O-CB 3.38Å
242	K	98.6	Very high	98.1	Very high	77 Å²	77	27.7 Å²	27.7	34%	0.335	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	23.6	173	-58.5	-162.8	169	-153.4	0	113	N240 Y313 E316 G343 E344	N240-K242 PolarHBondContact O-N 2.97Å; N240-K242 VanDerWaalsContact O-N 3.16Å; N240-K242 WeakPolarHBondContact OD1-CB 3.41Å; N240-K242 PolarHBondContact OD1-N 2.56Å; K242-Y313 HydrophobicContact CB-CD2 4.25Å; K242-Y313 HydrophobicContact CB-CE1 4.18Å; K242-Y313 HydrophobicContact CB-CE2 3.87Å; K242-Y313 HydrophobicContact CD-CD2 4.42Å; K242-Y313 HydrophobicContact CD-CE2 4Å; K242-Y313 HydrophobicContact CG-CD2 3.9Å; K242-Y313 HydrophobicContact CG-CE2 3.78Å; K242-Y313 WeakPolarHBondContact O-CE1 2.91Å; K242-E316 IonicContact NZ-OE1 2.73Å; K242-E316 PolarHBondContact NZ-OE1 3.08Å; K242-G343 CarbonylContact O-C 3.41Å; K242-G343 WeakPolarHBondContact O-CA 3.31Å; K242-E344 PolarHBondContact O-N 2.89Å
243	R	98.6	Very high	98.1	Very high	40 Å²	40	28.3 Å²	28.3	15%	0.151	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	141.3	173	-77.7	166.5	-179.5	170.8	1.9	111.7	H236 E239 N240 Q241 V245 E344 L346	H236-R243 WeakPolarHBondContact O-CD 3.09Å; H236-R243 PolarHBondContact O-NH1 2.98Å; E239-R243 IonicContact OE2-NH1 3.25Å; E239-R243 PolarHBondContact OE2-NH1 3.08Å; N240-R243 HydrophobicContact CB-CG 4.09Å; N240-R243 WeakPolarHBondContact O-CB 3.46Å; N240-R243 PolarHBondContact O-N 3.36Å; Q241-R243 PolarHBondContact O-N 3.36Å; R243-V245 HydrophobicContact CB-CG2 3.99Å; R243-E344 WeakPolarHBondContact CA-O 3.49Å; R243-E344 HydrophobicContact CG-CB 3.91Å; R243-E344 IonicContact CZ-OE2 3.1Å; R243-E344 IonicContact NE-OE2 3.68Å; R243-E344 PolarHBondContact NE-OE2 3.27Å; R243-E344 IonicContact NH2-OE2 3.84Å; R243-E344 PolarHBondContact NH2-OE2 3.34Å; R243-L346 HydrophobicContact CG-CD1 4.11Å
244	I	98.8	Very high	98	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	128.7	153.5	-60.7	-167.5	0	0	0	107.1	M302 F307 T308 I309 L334 V338 E344 L345 L346	I244-M302 HydrophobicContact CD1-CE 4.45Å; I244-M302 HydrophobicContact CG2-SD 4.01Å; I244-F307 HydrophobicContact CG2-CB 3.77Å; I244-F307 HydrophobicContact CG2-CD2 3.62Å; I244-F307 HydrophobicContact CG2-CG 3.96Å; I244-T308 WeakPolarHBondContact CA-O 2.99Å; I244-I309 HydrophobicContact CD1-CD1 3.69Å; I244-I309 HydrophobicContact CD1-CG1 4.46Å; I244-I309 HydrophobicContact CG1-CB 4.22Å; I244-I309 HydrophobicContact CG1-CD1 3.62Å; I244-I309 HydrophobicContact CG1-CG1 3.9Å; I244-L334 HydrophobicContact CD1-CD1 3.99Å; I244-L334 HydrophobicContact CD1-CD2 3.99Å; I244-L334 HydrophobicContact CD1-CG 3.94Å; I244-V338 HydrophobicContact CD1-CG2 3.51Å; I244-V338 HydrophobicContact CG1-CG2 4.04Å; I244-E344 PolarHBondContact N-O 3.16Å; I244-L345 HydrophobicContact CB-CD1 3.56Å; I244-L345 HydrophobicContact CG2-CD1 3.5Å; I244-L346 PolarHBondContact O-N 3.04Å
245	V	98.8	Very high	97.8	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	123.3	-178	-163.3	0	0	0	0	109.2	L233 H236 I237 R243 F307 T308 L346 D348	L233-V245 HydrophobicContact CD2-CB 4.07Å; L233-V245 HydrophobicContact CD2-CG1 3.49Å; L233-V245 VanDerWaalsContact CD2-CG1 3.49Å; H236-V245 HydrophobicContact CB-CG1 4.31Å; H236-V245 HydrophobicContact CB-CG2 3.81Å; I237-V245 HydrophobicContact CD1-CG2 4.4Å; I237-V245 HydrophobicContact CG1-CG2 3.81Å; R243-V245 HydrophobicContact CB-CG2 3.99Å; V245-F307 CarbonylContact O-C 3.57Å; V245-F307 WeakPolarHBondContact O-CA 3.45Å; V245-T308 PolarHBondContact N-O 3.24Å; V245-T308 PolarHBondContact O-N 3.49Å; V245-L346 HydrophobicContact CG1-CB 4.26Å; V245-D348 HydrophobicContact CG1-CB 3.84Å
246	C	98.7	Very high	97.7	Very high	7 Å²	7	31.8 Å²	31.8	5%	0.047	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	144.6	177.9	-52.1	0	0	0	0	109.6	L346 I347 D348	C246-L346 PolarHBondContact N-O 2.87Å; C246-I347 HydrophobicContact CB-CG1 4.35Å; C246-I347 WeakPolarHBondContact O-CA 3.41Å; C246-D348 PolarHBondContact O-N 3.2Å
247	P	98.5	Very high	97.7	Very high	2 Å²	2	31 Å²	31	1%	0.013	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	166	165.3	34.9	-36.4	0	0	0	110.6	I249 L306 S351 V353	P247-I249 PolarHBondContact O-N 3.39Å; P247-L306 WeakPolarHBondContact CD-O 3.38Å; P247-L306 HydrophobicContact CG-CB 3.95Å; P247-L306 HydrophobicContact CG-CD1 4.48Å; P247-S351 WeakPolarHBondContact CA-O 3.48Å; P247-S351 VanDerWaalsContact CB-OG 3.31Å; P247-S351 WeakPolarHBondContact CB-OG 3.26Å; P247-V353 HydrophobicContact CB-CB 4.27Å; P247-V353 HydrophobicContact CB-CG2 3.76Å; P247-V353 HydrophobicContact CG-CB 4.03Å; P247-V353 HydrophobicContact CG-CG2 3.7Å
248	I	98.1	Very high	97.6	Very high	7 Å²	7	34.3 Å²	34.3	4%	0.036	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	131	153.4	-65.1	174.6	0	0	0	107.8	D250 D264 I347 P349 S351 R352 V353	I248-D250 WeakPolarHBondContact CG2-OD1 3.44Å; I248-D264 HydrophobicContact CD1-CB 3.55Å; I248-I347 HydrophobicContact CG1-CG2 4.17Å; I248-P349 HydrophobicContact CD1-CB 4.1Å; I248-S351 PolarHBondContact N-O 2.93Å; I248-R352 HydrophobicContact CB-CG 4.15Å; I248-V353 PolarHBondContact O-N 2.67Å
249	I	97.8	Very high	97.5	Very high	22 Å²	22	33.1 Å²	33.1	11%	0.113	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	101.7	175.3	-47.3	-167.8	0	0	0	108.1	P247 W278 A303 L306 V353 H355 F357	P247-I249 PolarHBondContact O-N 3.39Å; I249-W278 HydrophobicContact CD1-CH2 4.47Å; I249-W278 HydrophobicContact CD1-CZ2 3.97Å; I249-W278 HydrophobicContact CG1-CZ2 4.28Å; I249-A303 HydrophobicContact CD1-CB 4.2Å; I249-L306 HydrophobicContact CB-CD1 4.5Å; I249-L306 HydrophobicContact CD1-CB 4.39Å; I249-L306 HydrophobicContact CD1-CD1 3.94Å; I249-L306 HydrophobicContact CD1-CG 4.13Å; I249-L306 HydrophobicContact CG1-CD1 4Å; I249-L306 HydrophobicContact CG2-CD1 3.95Å; I249-V353 CarbonylContact C-O 3.59Å; I249-V353 WeakPolarHBondContact CA-O 3.46Å; I249-H355 HydrophobicContact CG2-CB 3.51Å; I249-F357 HydrophobicContact CB-CZ 4.48Å; I249-F357 HydrophobicContact CG2-CE2 3.88Å; I249-F357 HydrophobicContact CG2-CZ 3.68Å
250	D	97.9	Very high	97.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	151.4	172.7	-70	-26.4	0	0	0	109.8	I248 Y259 G262 R352 V353 G354 H355	I248-D250 WeakPolarHBondContact CG2-OD1 3.44Å; D250-Y259 HydrophobicContact CB-CD1 4.37Å; D250-Y259 HydrophobicContact CB-CE1 3.5Å; D250-Y259 WeakPolarHBondContact CB-OH 3.46Å; D250-Y259 VanDerWaalsContact OD2-CE1 3.29Å; D250-Y259 WeakPolarHBondContact OD2-CE1 3.43Å; D250-Y259 PolarHBondContact OD2-OH 2.91Å; D250-Y259 VanDerWaalsContact OD2-OH 3.08Å; D250-G262 WeakPolarHBondContact OD1-CA 3.3Å; D250-G262 PolarHBondContact OD1-N 2.94Å; D250-R352 IonicContact OD1-CZ 2.72Å; D250-R352 IonicContact OD1-NH1 3.56Å; D250-R352 PolarHBondContact OD1-NH1 3.17Å; D250-R352 WeakPolarHBondContact OD2-CD 3.21Å; D250-R352 IonicContact OD2-NH1 2.85Å; D250-R352 PolarHBondContact OD2-NH1 2.93Å; D250-V353 PolarHBondContact N-O 3.29Å; D250-G354 CarbonylContact O-C 3.5Å; D250-G354 WeakPolarHBondContact O-CA 3.27Å; D250-H355 PolarHBondContact O-N 3.36Å
251	V	97.4	Very high	97.4	Very high	53 Å²	53	34 Å²	34	32%	0.321	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	122.5	-176.4	174.3	0	0	0	0	109	L260 F357	V251-L260 HydrophobicContact CB-CB 4.12Å; V251-L260 HydrophobicContact CG1-CD1 4.33Å; V251-L260 PolarHBondContact N-O 3.35Å; V251-L260 WeakPolarHBondContact O-CB 3.44Å; V251-L260 PolarHBondContact O-N 3.33Å; V251-F357 HydrophobicContact CB-CD2 4.09Å; V251-F357 HydrophobicContact CB-CE2 4.32Å; V251-F357 HydrophobicContact CG1-CD2 4Å; V251-F357 HydrophobicContact CG2-CD2 3.71Å; V251-F357 HydrophobicContact CG2-CE2 3.66Å
252	I	97.7	Very high	97.2	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	117.5	162.7	-59	169.4	0	0	0	107.1	E224 H254 F257 E258 Y259 H355 V356	E224-I252 HydrophobicContact CB-CD1 3.99Å; E224-I252 HydrophobicContact CG-CD1 4.08Å; I252-H254 PolarHBondContact O-N 2.98Å; I252-F257 HydrophobicContact CG2-CB 4.19Å; I252-F257 HydrophobicContact CG2-CD1 3.66Å; I252-F257 HydrophobicContact CG2-CE1 4.28Å; I252-F257 HydrophobicContact CG2-CG 4.12Å; I252-E258 WeakPolarHBondContact CA-O 3.4Å; I252-Y259 HydrophobicContact CD1-CD2 4.48Å; I252-Y259 HydrophobicContact CG1-CD2 4.02Å; I252-Y259 HydrophobicContact CG1-CE2 4.36Å; I252-H355 PolarHBondContact N-O 3.33Å; I252-V356 HydrophobicContact CB-CG2 3.86Å; I252-V356 HydrophobicContact CD1-CG2 4.38Å; I252-V356 HydrophobicContact CG2-CG2 3.79Å; I252-V356 WeakPolarHBondContact O-CA 3.21Å
253	S	96.8	Very high	97	Very high	24 Å²	24	30.4 Å²	30.4	17%	0.168	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-55.7	124	179.9	171.2	0	0	0	0	110.9	D255 T256 F257 E258	S253-D255 PolarHBondContact O-N 3.25Å; S253-D255 VanDerWaalsContact O-N 3.13Å; S253-D255 PolarHBondContact OG-N 2.88Å; S253-T256 VanDerWaalsContact CB-OG1 3.26Å; S253-T256 WeakPolarHBondContact CB-OG1 3.28Å; S253-T256 PolarHBondContact OG-N 3.48Å; S253-T256 VanDerWaalsContact OG-N 3.15Å; S253-T256 PolarHBondContact OG-OG1 3.28Å; S253-F257 WeakPolarHBondContact O-CA 3.44Å; S253-F257 PolarHBondContact O-N 3.39Å; S253-E258 PolarHBondContact N-O 3.31Å
254	H	95.8	Very high	96.8	Very high	35 Å²	35	29.7 Å²	29.7	16%	0.162	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-13.4	177.1	73.6	70.4	0	0	0	113	F88 F93 N94 I252 V356 K359	F88-H254 AromaticContact CE2-ND1 3.57Å; F88-H254 AromaticContact CZ-CE1 3.81Å; F88-H254 AromaticContact CZ-ND1 3.34Å; F88-H254 VanDerWaalsContact CZ-ND1 3.34Å; F88-H254 WeakPolarHBondContact CZ-ND1 3.5Å; F93-H254 CarbonylContact C-O 3.44Å; F93-H254 VanDerWaalsContact CA-O 3.27Å; F93-H254 WeakPolarHBondContact CA-O 3.31Å; F93-H254 HydrophobicContact CB-CB 3.91Å; F93-H254 WeakPolarHBondContact CB-O 3.35Å; N94-H254 PolarHBondContact N-O 2.75Å; I252-H254 PolarHBondContact O-N 2.98Å; H254-V356 HydrophobicContact CB-CG1 4.08Å; H254-K359 VanDerWaalsContact NE2-CE 3.32Å; H254-K359 WeakPolarHBondContact NE2-CE 3.48Å
255	D	94.9	Very high	96.7	Very high	83 Å²	83	31 Å²	31	44%	0.444	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-51.7	-178.6	-171.8	23.1	0	0	0	111.9	N94 S253	N94-D255 WeakPolarHBondContact CB-O 3.31Å; N94-D255 PolarHBondContact ND2-O 3.49Å; S253-D255 PolarHBondContact O-N 3.25Å; S253-D255 VanDerWaalsContact O-N 3.13Å; S253-D255 PolarHBondContact OG-N 2.88Å
256	T	95.6	Very high	96.6	Very high	33 Å²	33	32.8 Å²	32.8	20%	0.202	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104	-9.6	-173.7	57.7	0	0	0	0	114	P73 V74 S253 E258	P73-T256 HydrophobicContact CB-CG2 4.36Å; V74-T256 PolarHBondContact N-O 2.85Å; S253-T256 VanDerWaalsContact CB-OG1 3.26Å; S253-T256 WeakPolarHBondContact CB-OG1 3.28Å; S253-T256 PolarHBondContact OG-N 3.48Å; S253-T256 VanDerWaalsContact OG-N 3.15Å; S253-T256 PolarHBondContact OG-OG1 3.28Å; T256-E258 PolarHBondContact O-N 2.85Å; T256-E258 VanDerWaalsContact O-N 3.12Å; T256-E258 WeakPolarHBondContact OG1-CB 3.43Å; T256-E258 PolarHBondContact OG1-N 3.43Å
257	F	96.4	Very high	96.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.181	C	C	.	.			trans	55	18.4	-169.8	-82.7	-104.9	0	0	0	115	F93 N94 V97 S98 I101 R105 I252 S253 Y259 V356	F93-F257 HydrophobicContact CB-CE2 4.3Å; F93-F257 HydrophobicContact CB-CZ 4.41Å; F93-F257 AromaticContact CD2-CE2 3.84Å; F93-F257 HydrophobicContact CD2-CE2 3.84Å; F93-F257 AromaticContact CD2-CZ 3.57Å; F93-F257 HydrophobicContact CD2-CZ 3.57Å; F93-F257 AromaticContact CE2-CZ 3.99Å; F93-F257 HydrophobicContact CE2-CZ 3.99Å; F93-F257 HydrophobicContact CG-CE2 4.33Å; F93-F257 HydrophobicContact CG-CZ 4.06Å; N94-F257 WeakPolarHBondContact O-CE2 3.44Å; V97-F257 HydrophobicContact CB-CD2 4.06Å; V97-F257 HydrophobicContact CG1-CB 3.7Å; V97-F257 HydrophobicContact CG1-CD2 3.54Å; V97-F257 HydrophobicContact CG1-CG 3.89Å; S98-F257 VanDerWaalsContact CB-CZ 3.44Å; I101-F257 HydrophobicContact CD1-CB 3.24Å; I101-F257 HydrophobicContact CD1-CD1 4.23Å; I101-F257 HydrophobicContact CD1-CG 3.89Å; R105-F257 PolarHBondContact NH1-O 3.06Å; R105-F257 PolarHBondContact NH2-O 3.38Å; I252-F257 HydrophobicContact CG2-CB 4.19Å; I252-F257 HydrophobicContact CG2-CD1 3.66Å; I252-F257 HydrophobicContact CG2-CE1 4.28Å; I252-F257 HydrophobicContact CG2-CG 4.12Å; S253-F257 WeakPolarHBondContact O-CA 3.44Å; S253-F257 PolarHBondContact O-N 3.39Å; F257-Y259 PolarHBondContact O-N 2.82Å; F257-V356 HydrophobicContact CD1-CG2 4.49Å; F257-V356 HydrophobicContact CE1-CG2 3.8Å; F257-V356 HydrophobicContact CZ-CG2 4.24Å
258	E	96.6	Very high	96.5	Very high	69 Å²	69	32.4 Å²	32.4	32%	0.322	18%	0.18	S	C	.	.			trans	-56.9	136.3	168.3	-173.8	171.9	-162.4	0	0	110.6	G71 P73 I252 S253 T256 L260	G71-E258 WeakPolarHBondContact O-CA 3.41Å; P73-E258 HydrophobicContact CB-CB 3.97Å; P73-E258 HydrophobicContact CB-CG 4.33Å; I252-E258 WeakPolarHBondContact CA-O 3.4Å; S253-E258 PolarHBondContact N-O 3.31Å; T256-E258 PolarHBondContact O-N 2.85Å; T256-E258 VanDerWaalsContact O-N 3.12Å; T256-E258 WeakPolarHBondContact OG1-CB 3.43Å; T256-E258 PolarHBondContact OG1-N 3.43Å; E258-L260 HydrophobicContact CG-CD2 3.81Å; E258-L260 HydrophobicContact CG-CG 4.14Å
259	Y	97.3	Very high	96.4	Very high	15 Å²	15	32 Å²	32	6%	0.059	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	105.4	176.5	-163	-76.2	0	0	0	109.2	G71 L107 F110 T226 D250 I252 F257 L261 G354	G71-Y259 PolarHBondContact O-N 3.13Å; L107-Y259 HydrophobicContact CD1-CD2 4.01Å; L107-Y259 HydrophobicContact CD1-CE2 3.82Å; L107-Y259 HydrophobicContact CD2-CD2 3.87Å; L107-Y259 HydrophobicContact CD2-CE2 4.47Å; L107-Y259 HydrophobicContact CD2-CG 4.2Å; F110-Y259 HydrophobicContact CD2-CD1 4.01Å; F110-Y259 AromaticContact CD2-CE1 3.62Å; F110-Y259 HydrophobicContact CD2-CE1 3.62Å; F110-Y259 AromaticContact CE2-CD1 3.54Å; F110-Y259 HydrophobicContact CE2-CD1 3.54Å; F110-Y259 AromaticContact CE2-CE1 3.59Å; F110-Y259 HydrophobicContact CE2-CE1 3.59Å; F110-Y259 HydrophobicContact CE2-CG 4.15Å; F110-Y259 HydrophobicContact CZ-CD1 4.02Å; F110-Y259 HydrophobicContact CZ-CE1 4.46Å; T226-Y259 HydrophobicContact CG2-CE2 4.43Å; T226-Y259 WeakPolarHBondContact CG2-OH 3.48Å; D250-Y259 HydrophobicContact CB-CD1 4.37Å; D250-Y259 HydrophobicContact CB-CE1 3.5Å; D250-Y259 WeakPolarHBondContact CB-OH 3.46Å; D250-Y259 VanDerWaalsContact OD2-CE1 3.29Å; D250-Y259 WeakPolarHBondContact OD2-CE1 3.43Å; D250-Y259 PolarHBondContact OD2-OH 2.91Å; D250-Y259 VanDerWaalsContact OD2-OH 3.08Å; I252-Y259 HydrophobicContact CD1-CD2 4.48Å; I252-Y259 HydrophobicContact CG1-CD2 4.02Å; I252-Y259 HydrophobicContact CG1-CE2 4.36Å; F257-Y259 PolarHBondContact O-N 2.82Å; Y259-L261 HydrophobicContact CD1-CD2 3.97Å; Y259-L261 HydrophobicContact CE1-CD2 3.81Å; Y259-G354 PolarHBondContact OH-N 3.12Å; Y259-G354 VanDerWaalsContact OH-N 3.13Å
260	L	96.9	Very high	96.3	Very high	74 Å²	74	31.1 Å²	31.1	39%	0.387	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	124.8	-176.6	-61.2	170.7	0	0	0	109.8	V251 E258 G262	V251-L260 HydrophobicContact CB-CB 4.12Å; V251-L260 HydrophobicContact CG1-CD1 4.33Å; V251-L260 PolarHBondContact N-O 3.35Å; V251-L260 WeakPolarHBondContact O-CB 3.44Å; V251-L260 PolarHBondContact O-N 3.33Å; E258-L260 HydrophobicContact CG-CD2 3.81Å; E258-L260 HydrophobicContact CG-CG 4.14Å; L260-G262 PolarHBondContact O-N 2.91Å
261	L	96.2	Very high	96.1	Very high	97 Å²	97	32.4 Å²	32.4	51%	0.508	18%	0.181	S	C	.	.	P	Polyproline II helix	trans	-70.9	127.7	-175.8	-56.6	-175.4	0	0	0	111.8	F110 Y259	F110-L261 HydrophobicContact CB-CD1 4.37Å; F110-L261 HydrophobicContact CB-CD2 3.66Å; F110-L261 HydrophobicContact CD1-CD1 4.06Å; F110-L261 HydrophobicContact CD1-CD2 3.65Å; F110-L261 HydrophobicContact CD1-CG 4.37Å; F110-L261 HydrophobicContact CD2-CD2 3.93Å; F110-L261 HydrophobicContact CE1-CD2 4.21Å; F110-L261 HydrophobicContact CE2-CD2 4.47Å; F110-L261 HydrophobicContact CG-CD1 4.48Å; F110-L261 HydrophobicContact CG-CD2 3.48Å; F110-L261 VanDerWaalsContact CG-CD2 3.48Å; Y259-L261 HydrophobicContact CD1-CD2 3.97Å; Y259-L261 HydrophobicContact CE1-CD2 3.81Å
262	G	93.7	Very high	95.9	Very high	17 Å²	17	30 Å²	30	18%	0.175	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-71.7	149.5	163.6	0	0	0	0	0	111	D250 L260 R352	D250-G262 WeakPolarHBondContact OD1-CA 3.3Å; D250-G262 PolarHBondContact OD1-N 2.94Å; L260-G262 PolarHBondContact O-N 2.91Å; G262-R352 PolarHBondContact O-NH1 2.98Å; G262-R352 PolarHBondContact O-NH2 3.17Å; G262-R352 VanDerWaalsContact O-NH2 3.13Å
263	S	94.7	Very high	95.5	Very high	59 Å²	59	33.2 Å²	33.2	41%	0.413	18%	0.181	S	C	.	.	P	Polyproline II helix	trans	-71.2	139.9	174.7	178.9	0	0	0	0	110.4	R265 T266	S263-R265 PolarHBondContact O-N 3.29Å; S263-R265 PolarHBondContact OG-N 2.83Å; S263-T266 PolarHBondContact O-OG1 3.5Å
264	D	94.1	Very high	95.4	Very high	25 Å²	25	32.2 Å²	32.2	13%	0.134	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-1.8	169.3	62	-5.6	0	0	0	112.8	I248 H293 L297 P349	I248-D264 HydrophobicContact CD1-CB 3.55Å; D264-H293 IonicContact OD1-ND1 3.63Å; D264-H293 IonicContact OD2-CE1 3.74Å; D264-H293 IonicContact OD2-CG 2.87Å; D264-H293 IonicContact OD2-ND1 3.58Å; D264-H293 PolarHBondContact OD2-ND1 3.19Å; D264-L297 WeakPolarHBondContact O-CD1 3.21Å; D264-P349 HydrophobicContact CB-CB 3.87Å
265	R	96.3	Very high	95.2	Very high	29 Å²	29	33.7 Å²	33.7	11%	0.109	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.5	31.9	174.7	-53.4	-52.2	-178.8	108.1	9.2	112.3	S263 T280 V281 D291 H293	S263-R265 PolarHBondContact O-N 3.29Å; S263-R265 PolarHBondContact OG-N 2.83Å; R265-T280 WeakPolarHBondContact O-CA 3.27Å; R265-V281 WeakPolarHBondContact O-CG2 3.48Å; R265-V281 PolarHBondContact O-N 3.41Å; R265-D291 IonicContact CZ-OD1 3.87Å; R265-D291 IonicContact NH1-OD1 2.8Å; R265-D291 PolarHBondContact NH1-OD1 2.81Å; R265-D291 PolarHBondContact NH2-O 3.45Å; R265-D291 IonicContact NH2-OD1 2.71Å; R265-D291 PolarHBondContact NH2-OD1 3.04Å; R265-H293 PolarHBondContact NH2-CD2 3.45Å; R265-H293 PolarHBondContact NH2-CE1 3.09Å; R265-H293 PolarHBondContact NH2-NE2 3.23Å
266	T	97	Very high	95.2	Very high	37 Å²	37	32 Å²	32	23%	0.227	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	139.9	171.6	49.2	0	0	0	0	111.6	S263 E279	S263-T266 PolarHBondContact O-OG1 3.5Å; T266-E279 CarbonylContact C-O 3.49Å; T266-E279 VanDerWaalsContact CA-O 3.23Å; T266-E279 WeakPolarHBondContact CA-O 3.44Å
267	W	97.5	Very high	95.1	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	167.3	179.1	68.5	-9	0	0	0	111.4	E279 V281 V282 E285 R298 P300 I347 Y430	W267-E279 VanDerWaalsContact CD1-O 3.28Å; W267-E279 PolarHBondContact N-O 3.21Å; W267-E279 PolarHBondContact O-N 2.87Å; W267-V281 HydrophobicContact CB-CG2 3.95Å; W267-V281 HydrophobicContact CD2-CG2 4.17Å; W267-V281 HydrophobicContact CG-CG2 3.84Å; W267-V282 HydrophobicContact CH2-CG2 3.63Å; W267-V282 HydrophobicContact CZ2-CB 4.38Å; W267-V282 HydrophobicContact CZ2-CG1 3.99Å; W267-V282 HydrophobicContact CZ2-CG2 3.66Å; W267-E285 HydrophobicContact CE3-CG 4.4Å; W267-E285 HydrophobicContact CZ3-CB 4.16Å; W267-E285 HydrophobicContact CZ3-CG 4.21Å; W267-R298 VanDerWaalsContact CE3-O 3.29Å; W267-R298 WeakPolarHBondContact CZ3-O 3.37Å; W267-P300 HydrophobicContact CD2-CG 4.37Å; W267-P300 HydrophobicContact CE3-CG 4.15Å; W267-P300 HydrophobicContact CH2-CG 4.04Å; W267-P300 HydrophobicContact CZ2-CG 4.3Å; W267-P300 HydrophobicContact CZ3-CG 3.97Å; W267-I347 HydrophobicContact CB-CD1 4.16Å; W267-Y430 HydrophobicContact CH2-CD2 4.44Å; W267-Y430 HydrophobicContact CZ2-CD2 4.38Å; W267-Y430 HydrophobicContact CZ2-CE2 4.17Å
268	G	97.7	Very high	95.1	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	130.2	-179	0	0	0	0	0	112.7	F276 T299 P300 T301	G268-F276 VanDerWaalsContact CA-CE2 3.49Å; G268-T299 PolarHBondContact N-OG1 3.4Å; G268-T299 PolarHBondContact O-OG1 3.45Å; G268-P300 WeakPolarHBondContact O-CB 3.34Å; G268-P300 WeakPolarHBondContact O-CD 3.33Å; G268-T301 WeakPolarHBondContact CA-O 3.48Å; G268-T301 PolarHBondContact O-N 2.85Å; G268-T301 VanDerWaalsContact O-N 3.13Å; G268-T301 PolarHBondContact O-OG1 3.3Å
269	T	96.7	Very high	95	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	-177	174	69.4	0	0	0	0	111.1	H277 E279 T301 Y430	T269-H277 PolarHBondContact N-O 2.92Å; T269-H277 PolarHBondContact O-N 3.1Å; T269-H277 PolarHBondContact OG1-O 2.73Å; T269-E279 HydrophobicContact CG2-CB 3.83Å; T269-E279 HydrophobicContact CG2-CG 3.99Å; T269-E279 VanDerWaalsContact OG1-CD 3.24Å; T269-E279 WeakPolarHBondContact OG1-CG 3.42Å; T269-E279 PolarHBondContact OG1-OE1 2.77Å; T269-T301 PolarHBondContact N-OG1 3.06Å; T269-T301 PolarHBondContact O-OG1 2.75Å; T269-T301 VanDerWaalsContact O-OG1 3.09Å; T269-Y430 VanDerWaalsContact CB-OH 3.3Å; T269-Y430 WeakPolarHBondContact CB-OH 3.37Å; T269-Y430 HydrophobicContact CG2-CE1 4.48Å; T269-Y430 HydrophobicContact CG2-CE2 4.18Å; T269-Y430 VanDerWaalsContact CG2-OH 3.3Å; T269-Y430 WeakPolarHBondContact CG2-OH 3.42Å
270	F	95.6	Very high	94.9	Very high	2 Å²	2	43 Å²	43	1%	0.009	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	152.6	175.2	65.9	-78.9	0	0	0	111.7	F274 N275 T301 I332 F336 F422 Y425 Y430 I435	F270-F274 HydrophobicContact CD2-CD1 4.35Å; F270-N275 VanDerWaalsContact CA-O 3.24Å; F270-N275 WeakPolarHBondContact CA-O 3.25Å; F270-T301 HydrophobicContact CB-CG2 4.48Å; F270-T301 HydrophobicContact CD1-CG2 3.51Å; F270-T301 HydrophobicContact CE1-CG2 4.16Å; F270-T301 HydrophobicContact CG-CG2 4.33Å; F270-I332 HydrophobicContact CB-CD1 3.99Å; F270-F336 AromaticContact CD1-CE1 3.95Å; F270-F336 HydrophobicContact CD1-CE1 3.95Å; F270-F336 HydrophobicContact CD1-CZ 4.17Å; F270-F336 AromaticContact CD2-CZ 3.96Å; F270-F336 HydrophobicContact CD2-CZ 3.96Å; F270-F336 AromaticContact CE1-CE1 3.49Å; F270-F336 HydrophobicContact CE1-CE1 3.49Å; F270-F336 VanDerWaalsContact CE1-CE1 3.49Å; F270-F336 AromaticContact CE1-CZ 3.86Å; F270-F336 HydrophobicContact CE1-CZ 3.86Å; F270-F336 HydrophobicContact CE2-CE1 4.13Å; F270-F336 AromaticContact CE2-CZ 3.64Å; F270-F336 HydrophobicContact CE2-CZ 3.64Å; F270-F336 HydrophobicContact CG-CE1 4.45Å; F270-F336 HydrophobicContact CG-CZ 4.22Å; F270-F336 AromaticContact CZ-CE1 3.6Å; F270-F336 HydrophobicContact CZ-CE1 3.6Å; F270-F336 AromaticContact CZ-CZ 3.59Å; F270-F336 HydrophobicContact CZ-CZ 3.59Å; F270-F422 HydrophobicContact CE2-CZ 4.17Å; F270-F422 HydrophobicContact CZ-CE2 4.5Å; F270-F422 AromaticContact CZ-CZ 3.9Å; F270-F422 HydrophobicContact CZ-CZ 3.9Å; F270-Y425 AromaticContact CE1-CE1 3.91Å; F270-Y425 HydrophobicContact CE1-CE1 3.91Å; F270-Y425 HydrophobicContact CZ-CE1 4.05Å; F270-Y430 HydrophobicContact CD1-CD1 4.28Å; F270-Y430 HydrophobicContact CD1-CE1 4.19Å; F270-Y430 AromaticContact CE1-CD1 3.65Å; F270-Y430 HydrophobicContact CE1-CD1 3.65Å; F270-Y430 AromaticContact CE1-CE1 3.97Å; F270-Y430 HydrophobicContact CE1-CE1 3.97Å; F270-Y430 HydrophobicContact CZ-CD1 4.31Å; F270-I435 HydrophobicContact CE2-CD1 3.89Å
271	D	92.7	Very high	94.9	Very high	28 Å²	28	39.8 Å²	39.8	15%	0.15	21%	0.208	C	C	.	.			trans	-99.5	-178.4	174.1	66.3	24.8	0	0	0	112.8	Q273 F274 N275 H277	D271-Q273 PolarHBondContact O-N 3.48Å; D271-Q273 VanDerWaalsContact O-N 3.1Å; D271-Q273 WeakPolarHBondContact OD1-CA 3.25Å; D271-Q273 WeakPolarHBondContact OD1-CB 3.25Å; D271-Q273 PolarHBondContact OD1-N 2.86Å; D271-F274 PolarHBondContact O-N 3.23Å; D271-F274 PolarHBondContact OD1-N 3.27Å; D271-F274 VanDerWaalsContact OD1-N 3.08Å; D271-N275 PolarHBondContact N-O 2.83Å; D271-N275 PolarHBondContact OD1-N 3.3Å; D271-N275 PolarHBondContact OD1-ND2 2.86Å; D271-N275 WeakPolarHBondContact OD2-CB 3.18Å; D271-N275 PolarHBondContact OD2-ND2 3.35Å; D271-H277 IonicContact OD2-CD2 2.86Å; D271-H277 IonicContact OD2-CE1 4Å; D271-H277 IonicContact OD2-NE2 3.57Å; D271-H277 PolarHBondContact OD2-NE2 2.84Å
272	W	93.6	Very high	94.8	Very high	1 Å²	1	36.4 Å²	36.4	0%	0.004	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-14.1	-179.7	-64	8.9	0	0	0	113.6	F391 L395 S434 I435 A479 R487 V488 H489	W272-F391 AromaticContact CD2-CD1 3.63Å; W272-F391 HydrophobicContact CD2-CD1 3.63Å; W272-F391 HydrophobicContact CD2-CE1 4.14Å; W272-F391 AromaticContact CE2-CD1 3.77Å; W272-F391 AromaticContact CE2-CE1 3.82Å; W272-F391 AromaticContact CE3-CD1 3.72Å; W272-F391 HydrophobicContact CE3-CD1 3.72Å; W272-F391 HydrophobicContact CE3-CE1 4.24Å; W272-F391 HydrophobicContact CG-CD1 4.18Å; W272-F391 HydrophobicContact CH2-CD1 4.09Å; W272-F391 AromaticContact CH2-CE1 3.74Å; W272-F391 HydrophobicContact CH2-CE1 3.74Å; W272-F391 HydrophobicContact CZ2-CD1 4.02Å; W272-F391 AromaticContact CZ2-CE1 3.64Å; W272-F391 HydrophobicContact CZ2-CE1 3.64Å; W272-F391 AromaticContact CZ3-CD1 3.94Å; W272-F391 HydrophobicContact CZ3-CD1 3.94Å; W272-F391 HydrophobicContact CZ3-CE1 4.04Å; W272-L395 HydrophobicContact CB-CD1 4.47Å; W272-L395 HydrophobicContact CB-CD2 3.53Å; W272-L395 HydrophobicContact CE3-CD1 3.63Å; W272-L395 HydrophobicContact CE3-CD2 4.13Å; W272-L395 HydrophobicContact CG-CD2 4.49Å; W272-L395 HydrophobicContact CZ3-CD1 4.31Å; W272-S434 VanDerWaalsContact CD1-OG 3.26Å; W272-S434 PolarHBondContact NE1-O 3.25Å; W272-S434 PolarHBondContact NE1-OG 3.43Å; W272-I435 HydrophobicContact CG-CG1 4.28Å; W272-A479 HydrophobicContact CH2-CB 3.87Å; W272-A479 HydrophobicContact CZ2-CB 4.41Å; W272-R487 HydrophobicContact CH2-CB 4.43Å; W272-R487 HydrophobicContact CZ2-CB 4.45Å; W272-V488 VanDerWaalsContact CH2-C 3.49Å; W272-H489 HydrophobicContact CB-CB 4.46Å; W272-H489 HydrophobicContact CD2-CB 4.16Å; W272-H489 HydrophobicContact CE3-CB 3.99Å; W272-H489 HydrophobicContact CG-CB 4.38Å
273	Q	90.5	Very high	94.8	Very high	70 Å²	70	41.6 Å²	41.6	33%	0.327	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	3.7	176.6	-57.6	-175.5	-82.3	0	0	112.6	D271 N275 L395 N396	D271-Q273 PolarHBondContact O-N 3.48Å; D271-Q273 VanDerWaalsContact O-N 3.1Å; D271-Q273 WeakPolarHBondContact OD1-CA 3.25Å; D271-Q273 WeakPolarHBondContact OD1-CB 3.25Å; D271-Q273 PolarHBondContact OD1-N 2.86Å; Q273-N275 PolarHBondContact O-N 3.12Å; Q273-L395 HydrophobicContact CG-CB 4.48Å; Q273-L395 HydrophobicContact CG-CD2 3.66Å; Q273-N396 PolarHBondContact NE2-OD1 2.83Å
274	F	93.2	Very high	94.9	Very high	3 Å²	3	43.2 Å²	43.2	1%	0.013	21%	0.212	C	C	.	.			trans	63.8	21.9	-175	-47.8	-31.6	0	0	0	114.8	F270 D271 F276 F377 A381 L385 Y392	F270-F274 HydrophobicContact CD2-CD1 4.35Å; D271-F274 PolarHBondContact O-N 3.23Å; D271-F274 PolarHBondContact OD1-N 3.27Å; D271-F274 VanDerWaalsContact OD1-N 3.08Å; F274-F276 PolarHBondContact O-N 2.89Å; F274-F377 HydrophobicContact CB-CD1 3.82Å; F274-F377 HydrophobicContact CB-CE1 3.66Å; F274-F377 HydrophobicContact CB-CE2 4.5Å; F274-F377 HydrophobicContact CB-CG 4.31Å; F274-F377 HydrophobicContact CB-CZ 4.03Å; F274-F377 HydrophobicContact CD2-CB 3.71Å; F274-F377 AromaticContact CD2-CD1 3.71Å; F274-F377 HydrophobicContact CD2-CD1 3.71Å; F274-F377 HydrophobicContact CD2-CD2 4.49Å; F274-F377 HydrophobicContact CD2-CE1 4.43Å; F274-F377 AromaticContact CD2-CG 3.74Å; F274-F377 HydrophobicContact CD2-CG 3.74Å; F274-F377 HydrophobicContact CE2-CB 4.15Å; F274-F377 HydrophobicContact CG-CD1 4.28Å; F274-A381 HydrophobicContact CE2-CB 4.05Å; F274-A381 HydrophobicContact CZ-CB 4.17Å; F274-L385 HydrophobicContact CE1-CD2 3.47Å; F274-L385 VanDerWaalsContact CE1-CD2 3.47Å; F274-L385 HydrophobicContact CE2-CD2 4.43Å; F274-L385 HydrophobicContact CZ-CD1 4.42Å; F274-L385 HydrophobicContact CZ-CD2 3.25Å; F274-L385 HydrophobicContact CZ-CG 4.45Å; F274-Y392 AromaticContact CD2-CD2 3.61Å; F274-Y392 HydrophobicContact CD2-CD2 3.61Å; F274-Y392 AromaticContact CD2-CE2 3.89Å; F274-Y392 HydrophobicContact CD2-CE2 3.89Å; F274-Y392 HydrophobicContact CD2-CG 4.25Å; F274-Y392 HydrophobicContact CE1-CD2 4.4Å; F274-Y392 HydrophobicContact CE2-CD1 4.19Å; F274-Y392 AromaticContact CE2-CD2 3.33Å; F274-Y392 HydrophobicContact CE2-CD2 3.33Å; F274-Y392 AromaticContact CE2-CE2 3.93Å; F274-Y392 HydrophobicContact CE2-CE2 3.93Å; F274-Y392 AromaticContact CE2-CG 3.5Å; F274-Y392 HydrophobicContact CE2-CG 3.5Å; F274-Y392 HydrophobicContact CG-CD2 4.25Å; F274-Y392 VanDerWaalsContact CZ-CB 3.49Å; F274-Y392 AromaticContact CZ-CD2 3.75Å; F274-Y392 HydrophobicContact CZ-CD2 3.75Å; F274-Y392 AromaticContact CZ-CG 3.7Å; F274-Y392 HydrophobicContact CZ-CG 3.7Å
275	N	92.1	Very high	95	Very high	65 Å²	65	42 Å²	42	35%	0.348	21%	0.205	S	C	.	.			trans	-68.6	133.4	166.4	-54.5	-57.1	0	0	0	108.3	F270 D271 Q273 H277	F270-N275 VanDerWaalsContact CA-O 3.24Å; F270-N275 WeakPolarHBondContact CA-O 3.25Å; D271-N275 PolarHBondContact N-O 2.83Å; D271-N275 PolarHBondContact OD1-N 3.3Å; D271-N275 PolarHBondContact OD1-ND2 2.86Å; D271-N275 WeakPolarHBondContact OD2-CB 3.18Å; D271-N275 PolarHBondContact OD2-ND2 3.35Å; Q273-N275 PolarHBondContact O-N 3.12Å; N275-H277 PolarHBondContact O-CD2 3.34Å
276	F	94.1	Very high	95.1	Very high	47 Å²	47	42.1 Å²	42.1	21%	0.206	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	138.1	173.1	173.9	-88.8	0	0	0	110.1	G268 F274 W278 T301 M302 A303 I332	G268-F276 VanDerWaalsContact CA-CE2 3.49Å; F274-F276 PolarHBondContact O-N 2.89Å; F276-W278 AromaticContact CE1-CD1 3.85Å; F276-W278 AromaticContact CE1-CD2 3.73Å; F276-W278 HydrophobicContact CE1-CD2 3.73Å; F276-W278 AromaticContact CE1-CE2 3.51Å; F276-W278 HydrophobicContact CE1-CE3 4.38Å; F276-W278 AromaticContact CE1-CG 3.95Å; F276-W278 HydrophobicContact CE1-CG 3.95Å; F276-W278 AromaticContact CE1-CZ2 3.97Å; F276-W278 HydrophobicContact CE1-CZ2 3.97Å; F276-W278 AromaticContact CE1-NE1 3.59Å; F276-W278 AromaticContact CZ-CD2 3.73Å; F276-W278 HydrophobicContact CZ-CD2 3.73Å; F276-W278 AromaticContact CZ-CE2 3.64Å; F276-W278 AromaticContact CZ-CE3 3.91Å; F276-W278 HydrophobicContact CZ-CE3 3.91Å; F276-W278 HydrophobicContact CZ-CG 4.37Å; F276-W278 AromaticContact CZ-CH2 3.93Å; F276-W278 HydrophobicContact CZ-CH2 3.93Å; F276-W278 AromaticContact CZ-CZ2 3.74Å; F276-W278 HydrophobicContact CZ-CZ2 3.74Å; F276-W278 HydrophobicContact CZ-CZ3 4.01Å; F276-T301 WeakPolarHBondContact CE2-OG1 3.29Å; F276-M302 WeakPolarHBondContact CD2-O 3.16Å; F276-A303 HydrophobicContact CD1-CB 4.49Å; F276-A303 HydrophobicContact CE1-CB 3.97Å; F276-A303 HydrophobicContact CE2-CB 4.43Å; F276-A303 HydrophobicContact CZ-CB 3.94Å; F276-I332 HydrophobicContact CB-CD1 4.3Å; F276-I332 HydrophobicContact CD2-CD1 4.36Å
277	H	94.4	Very high	95.1	Very high	74 Å²	74	45.7 Å²	45.7	34%	0.343	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	146.9	174.1	-58.4	-72.3	0	0	0	110.7	T269 D271 N275	T269-H277 PolarHBondContact N-O 2.92Å; T269-H277 PolarHBondContact O-N 3.1Å; T269-H277 PolarHBondContact OG1-O 2.73Å; D271-H277 IonicContact OD2-CD2 2.86Å; D271-H277 IonicContact OD2-CE1 4Å; D271-H277 IonicContact OD2-NE2 3.57Å; D271-H277 PolarHBondContact OD2-NE2 2.84Å; N275-H277 PolarHBondContact O-CD2 3.34Å
278	W	95.3	Very high	95.1	Very high	94 Å²	94	50 Å²	50	36%	0.356	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	121	163.3	-70.3	116.1	0	0	0	108.4	I249 F276 A303 I347	I249-W278 HydrophobicContact CD1-CH2 4.47Å; I249-W278 HydrophobicContact CD1-CZ2 3.97Å; I249-W278 HydrophobicContact CG1-CZ2 4.28Å; F276-W278 AromaticContact CE1-CD1 3.85Å; F276-W278 AromaticContact CE1-CD2 3.73Å; F276-W278 HydrophobicContact CE1-CD2 3.73Å; F276-W278 AromaticContact CE1-CE2 3.51Å; F276-W278 HydrophobicContact CE1-CE3 4.38Å; F276-W278 AromaticContact CE1-CG 3.95Å; F276-W278 HydrophobicContact CE1-CG 3.95Å; F276-W278 AromaticContact CE1-CZ2 3.97Å; F276-W278 HydrophobicContact CE1-CZ2 3.97Å; F276-W278 AromaticContact CE1-NE1 3.59Å; F276-W278 AromaticContact CZ-CD2 3.73Å; F276-W278 HydrophobicContact CZ-CD2 3.73Å; F276-W278 AromaticContact CZ-CE2 3.64Å; F276-W278 AromaticContact CZ-CE3 3.91Å; F276-W278 HydrophobicContact CZ-CE3 3.91Å; F276-W278 HydrophobicContact CZ-CG 4.37Å; F276-W278 AromaticContact CZ-CH2 3.93Å; F276-W278 HydrophobicContact CZ-CH2 3.93Å; F276-W278 AromaticContact CZ-CZ2 3.74Å; F276-W278 HydrophobicContact CZ-CZ2 3.74Å; F276-W278 HydrophobicContact CZ-CZ3 4.01Å; W278-A303 HydrophobicContact CZ2-CB 3.83Å; W278-I347 HydrophobicContact CH2-CD1 4.43Å; W278-I347 HydrophobicContact CZ3-CD1 3.85Å
279	E	95.6	Very high	95.1	Very high	75 Å²	75	50.2 Å²	50.2	35%	0.35	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	158.1	175.5	-72.9	-178.1	-144.1	0	0	111	T266 W267 T269	T266-E279 CarbonylContact C-O 3.49Å; T266-E279 VanDerWaalsContact CA-O 3.23Å; T266-E279 WeakPolarHBondContact CA-O 3.44Å; W267-E279 VanDerWaalsContact CD1-O 3.28Å; W267-E279 PolarHBondContact N-O 3.21Å; W267-E279 PolarHBondContact O-N 2.87Å; T269-E279 HydrophobicContact CG2-CB 3.83Å; T269-E279 HydrophobicContact CG2-CG 3.99Å; T269-E279 VanDerWaalsContact OG1-CD 3.24Å; T269-E279 WeakPolarHBondContact OG1-CG 3.42Å; T269-E279 PolarHBondContact OG1-OE1 2.77Å
280	T	96.2	Very high	95.1	Very high	105 Å²	105	56.1 Å²	56.1	64%	0.644	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.2	137.6	168	-52.4	0	0	0	0	109.8	R265	R265-T280 WeakPolarHBondContact O-CA 3.27Å
281	V	95.9	Very high	95	Very high	8 Å²	8	60.5 Å²	60.5	5%	0.048	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-60.6	139.9	176.6	177.5	0	0	0	0	110.1	R265 W267 E285 I286 L297	R265-V281 WeakPolarHBondContact O-CG2 3.48Å; R265-V281 PolarHBondContact O-N 3.41Å; W267-V281 HydrophobicContact CB-CG2 3.95Å; W267-V281 HydrophobicContact CD2-CG2 4.17Å; W267-V281 HydrophobicContact CG-CG2 3.84Å; V281-E285 HydrophobicContact CG1-CB 3.53Å; V281-E285 HydrophobicContact CG1-CG 3.59Å; V281-I286 HydrophobicContact CB-CD1 3.94Å; V281-I286 HydrophobicContact CB-CG1 4.46Å; V281-I286 HydrophobicContact CG1-CD1 3.75Å; V281-I286 HydrophobicContact CG1-CG1 3.99Å; V281-L297 HydrophobicContact CG1-CD2 4.17Å; V281-L297 HydrophobicContact CG2-CD1 3.51Å; V281-L297 HydrophobicContact CG2-CD2 3.92Å; V281-L297 HydrophobicContact CG2-CG 4.31Å
282	V	94.1	Very high	95.2	Very high	26 Å²	26	63.6 Å²	63.6	16%	0.158	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-85.2	155.7	-178.4	-61	0	0	0	0	112	W267 R284 E285 I286 E432	W267-V282 HydrophobicContact CH2-CG2 3.63Å; W267-V282 HydrophobicContact CZ2-CB 4.38Å; W267-V282 HydrophobicContact CZ2-CG1 3.99Å; W267-V282 HydrophobicContact CZ2-CG2 3.66Å; V282-R284 HydrophobicContact CG2-CB 4.36Å; V282-R284 PolarHBondContact O-N 2.95Å; V282-R284 VanDerWaalsContact O-N 3.08Å; V282-E285 PolarHBondContact O-N 2.62Å; V282-I286 PolarHBondContact O-N 3.28Å; V282-E432 HydrophobicContact CB-CG 4.2Å; V282-E432 HydrophobicContact CG1-CB 4.23Å; V282-E432 HydrophobicContact CG1-CG 4.01Å; V282-E432 HydrophobicContact CG2-CG 3.87Å
283	D	94.5	Very high	95.3	Very high	126 Å²	126	66.3 Å²	66.3	67%	0.674	32%	0.324	S	S	*	.	H	α-helix	trans	-48.7	-42.1	-175.5	-57.7	-16.9	0	0	0	113.4	E285 I286 D287	D283-E285 PolarHBondContact O-N 2.92Å; D283-E285 VanDerWaalsContact O-N 3.14Å; D283-I286 PolarHBondContact O-N 3.13Å; D283-I286 VanDerWaalsContact O-N 3.11Å; D283-D287 WeakPolarHBondContact O-CB 3.34Å; D283-D287 PolarHBondContact O-N 2.83Å
284	R	95.4	Very high	95.6	Very high	92 Å²	92	65.6 Å²	65.6	35%	0.347	32%	0.323	S	S	.	.	H	α-helix	trans	-50.2	-43.8	176.8	177.3	-174.9	63.3	88.4	-7.1	113	V282 R288 I429 E432	V282-R284 HydrophobicContact CG2-CB 4.36Å; V282-R284 PolarHBondContact O-N 2.95Å; V282-R284 VanDerWaalsContact O-N 3.08Å; R284-R288 PolarHBondContact O-N 3.18Å; R284-I429 PolarHBondContact NH2-O 3.13Å; R284-E432 IonicContact CZ-OE1 3.62Å; R284-E432 IonicContact CZ-OE2 3.29Å; R284-E432 IonicContact NE-OE1 3.79Å; R284-E432 PolarHBondContact NE-OE1 3.24Å; R284-E432 IonicContact NE-OE2 2.76Å; R284-E432 IonicContact NH2-OE1 3.87Å; R284-E432 IonicContact NH2-OE2 3.04Å; R284-E432 PolarHBondContact NH2-OE2 3.49Å
285	E	97.2	Very high	95.8	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-84.1	-32.6	-176.8	179.9	64	-173.6	0	0	111.4	W267 V281 V282 D283 D287 R288 I289 L297 R298	W267-E285 HydrophobicContact CE3-CG 4.4Å; W267-E285 HydrophobicContact CZ3-CB 4.16Å; W267-E285 HydrophobicContact CZ3-CG 4.21Å; V281-E285 HydrophobicContact CG1-CB 3.53Å; V281-E285 HydrophobicContact CG1-CG 3.59Å; V282-E285 PolarHBondContact O-N 2.62Å; D283-E285 PolarHBondContact O-N 2.92Å; D283-E285 VanDerWaalsContact O-N 3.14Å; E285-D287 VanDerWaalsContact C-N 3.35Å; E285-R288 WeakPolarHBondContact O-CB 3.12Å; E285-R288 PolarHBondContact O-N 2.71Å; E285-R288 IonicContact OE1-CZ 2.67Å; E285-R288 VanDerWaalsContact OE1-CZ 3.25Å; E285-R288 IonicContact OE1-NE 3.97Å; E285-R288 PolarHBondContact OE1-NE 3.19Å; E285-R288 IonicContact OE1-NH2 3.24Å; E285-R288 PolarHBondContact OE1-NH2 2.79Å; E285-R288 WeakPolarHBondContact OE2-CD 3.43Å; E285-R288 IonicContact OE2-CZ 3.56Å; E285-R288 IonicContact OE2-NE 2.86Å; E285-R288 PolarHBondContact OE2-NE 3.35Å; E285-R288 IonicContact OE2-NH2 3.34Å; E285-I289 WeakPolarHBondContact O-CG1 3.3Å; E285-I289 PolarHBondContact O-N 3.34Å; E285-I289 VanDerWaalsContact O-N 3.16Å; E285-L297 HydrophobicContact CG-CD2 4.18Å; E285-R298 PolarHBondContact OE1-N 2.98Å
286	I	97	Very high	96	Very high	32 Å²	32	64.8 Å²	64.8	16%	0.164	32%	0.321	C	S	.	.	H	α-helix	trans	-59.9	-46	170.4	-58.9	-66.1	0	0	0	110.7	V281 V282 D283 R288 I289 N290 D291	V281-I286 HydrophobicContact CB-CD1 3.94Å; V281-I286 HydrophobicContact CB-CG1 4.46Å; V281-I286 HydrophobicContact CG1-CD1 3.75Å; V281-I286 HydrophobicContact CG1-CG1 3.99Å; V282-I286 PolarHBondContact O-N 3.28Å; D283-I286 PolarHBondContact O-N 3.13Å; D283-I286 VanDerWaalsContact O-N 3.11Å; I286-R288 VanDerWaalsContact C-N 3.35Å; I286-R288 PolarHBondContact O-N 2.72Å; I286-I289 WeakPolarHBondContact O-CG1 3.4Å; I286-I289 PolarHBondContact O-N 3.41Å; I286-N290 PolarHBondContact O-N 3.44Å; I286-D291 HydrophobicContact CG2-CB 4.42Å; I286-D291 PolarHBondContact O-N 3.31Å
287	D	97.5	Very high	96.2	Very high	112 Å²	112	62.7 Å²	62.7	60%	0.599	31%	0.312	S	S	*	.	H	α-helix	trans	-62.5	-42	176.3	-67.9	-20.5	0	0	0	110.9	D283 E285 I289 N290	D283-D287 WeakPolarHBondContact O-CB 3.34Å; D283-D287 PolarHBondContact O-N 2.83Å; E285-D287 VanDerWaalsContact C-N 3.35Å; D287-I289 VanDerWaalsContact C-N 3.26Å; D287-I289 PolarHBondContact O-N 2.55Å; D287-N290 PolarHBondContact O-N 3.3Å; D287-N290 PolarHBondContact O-OD1 2.93Å
288	R	97.5	Very high	96.4	Very high	90 Å²	90	64 Å²	64	34%	0.34	31%	0.313	S	S	.	.	H	α-helix	trans	-59.7	-37.1	178.4	-169.2	-163.1	64.9	71.6	-6	112.3	R284 E285 I286 N290 P296	R284-R288 PolarHBondContact O-N 3.18Å; E285-R288 WeakPolarHBondContact O-CB 3.12Å; E285-R288 PolarHBondContact O-N 2.71Å; E285-R288 IonicContact OE1-CZ 2.67Å; E285-R288 VanDerWaalsContact OE1-CZ 3.25Å; E285-R288 IonicContact OE1-NE 3.97Å; E285-R288 PolarHBondContact OE1-NE 3.19Å; E285-R288 IonicContact OE1-NH2 3.24Å; E285-R288 PolarHBondContact OE1-NH2 2.79Å; E285-R288 WeakPolarHBondContact OE2-CD 3.43Å; E285-R288 IonicContact OE2-CZ 3.56Å; E285-R288 IonicContact OE2-NE 2.86Å; E285-R288 PolarHBondContact OE2-NE 3.35Å; E285-R288 IonicContact OE2-NH2 3.34Å; I286-R288 VanDerWaalsContact C-N 3.35Å; I286-R288 PolarHBondContact O-N 2.72Å; R288-N290 VanDerWaalsContact C-N 3.31Å; R288-P296 PolarHBondContact NH2-O 3.31Å
289	I	97.1	Very high	96.6	Very high	4 Å²	4	59.5 Å²	59.5	2%	0.021	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	4.7	178.8	68.3	173.4	0	0	0	112.9	E285 I286 D287 D291 E292 V295 L297	E285-I289 WeakPolarHBondContact O-CG1 3.3Å; E285-I289 PolarHBondContact O-N 3.34Å; E285-I289 VanDerWaalsContact O-N 3.16Å; I286-I289 WeakPolarHBondContact O-CG1 3.4Å; I286-I289 PolarHBondContact O-N 3.41Å; D287-I289 VanDerWaalsContact C-N 3.26Å; D287-I289 PolarHBondContact O-N 2.55Å; I289-D291 PolarHBondContact O-N 3.34Å; I289-D291 VanDerWaalsContact O-N 3.17Å; I289-E292 VanDerWaalsContact O-CB 3.26Å; I289-E292 WeakPolarHBondContact O-CB 3.33Å; I289-E292 WeakPolarHBondContact O-CG 3.21Å; I289-E292 PolarHBondContact O-N 2.83Å; I289-V295 HydrophobicContact CB-CB 4.02Å; I289-V295 HydrophobicContact CB-CG1 3.91Å; I289-V295 HydrophobicContact CG2-CB 4.13Å; I289-V295 HydrophobicContact CG2-CG1 3.59Å; I289-L297 HydrophobicContact CD1-CD2 3.86Å
290	N	97.1	Very high	96.7	Very high	125 Å²	125	56 Å²	56	67%	0.668	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	34.4	-175.1	-56.7	-46.1	0	0	0	113.4	I286 D287 R288 E292	I286-N290 PolarHBondContact O-N 3.44Å; D287-N290 PolarHBondContact O-N 3.3Å; D287-N290 PolarHBondContact O-OD1 2.93Å; R288-N290 VanDerWaalsContact C-N 3.31Å; N290-E292 HydrophobicContact CB-CG 4.36Å; N290-E292 PolarHBondContact O-N 3.42Å; N290-E292 VanDerWaalsContact O-N 3.16Å
291	D	94.2	Very high	96.8	Very high	94 Å²	94	51 Å²	51	50%	0.503	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	21.1	-174.9	-155	32.8	0	0	0	114.8	R265 I286 I289	R265-D291 IonicContact CZ-OD1 3.87Å; R265-D291 IonicContact NH1-OD1 2.8Å; R265-D291 PolarHBondContact NH1-OD1 2.81Å; R265-D291 PolarHBondContact NH2-O 3.45Å; R265-D291 IonicContact NH2-OD1 2.71Å; R265-D291 PolarHBondContact NH2-OD1 3.04Å; I286-D291 HydrophobicContact CG2-CB 4.42Å; I286-D291 PolarHBondContact O-N 3.31Å; I289-D291 PolarHBondContact O-N 3.34Å; I289-D291 VanDerWaalsContact O-N 3.17Å
292	E	96.7	Very high	96.9	Very high	92 Å²	92	50.8 Å²	50.8	43%	0.43	25%	0.248	S	C	.	.			trans	-81.8	125.1	-179.5	-65.6	179.8	178.5	0	0	112.7	I289 N290 N294 V295	I289-E292 VanDerWaalsContact O-CB 3.26Å; I289-E292 WeakPolarHBondContact O-CB 3.33Å; I289-E292 WeakPolarHBondContact O-CG 3.21Å; I289-E292 PolarHBondContact O-N 2.83Å; N290-E292 HydrophobicContact CB-CG 4.36Å; N290-E292 PolarHBondContact O-N 3.42Å; N290-E292 VanDerWaalsContact O-N 3.16Å; E292-N294 VanDerWaalsContact C-N 3.26Å; E292-N294 PolarHBondContact O-N 2.84Å; E292-V295 HydrophobicContact CB-CB 4.36Å; E292-V295 HydrophobicContact CB-CG2 3.69Å; E292-V295 HydrophobicContact CG-CG2 4.49Å; E292-V295 PolarHBondContact O-N 3.04Å; E292-V295 WeakPolarHBondContact OE2-CG2 3.41Å
293	H	95.9	Very high	96.8	Very high	59 Å²	59	50.9 Å²	50.9	27%	0.273	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	3.7	-177	-68.5	-92.3	0	0	0	115.5	H112 D264 R265 P349	H112-H293 HydrophobicContact CB-CB 4.26Å; D264-H293 IonicContact OD1-ND1 3.63Å; D264-H293 IonicContact OD2-CE1 3.74Å; D264-H293 IonicContact OD2-CG 2.87Å; D264-H293 IonicContact OD2-ND1 3.58Å; D264-H293 PolarHBondContact OD2-ND1 3.19Å; R265-H293 PolarHBondContact NH2-CD2 3.45Å; R265-H293 PolarHBondContact NH2-CE1 3.09Å; R265-H293 PolarHBondContact NH2-NE2 3.23Å; H293-P349 WeakPolarHBondContact O-CB 3.48Å; H293-P349 WeakPolarHBondContact O-CG 3.49Å
294	N	95.8	Very high	96.6	Very high	55 Å²	55	45 Å²	45	29%	0.294	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.3	6.8	177.1	59.9	-17.6	0	0	0	113.1	S114 E292	S114-N294 PolarHBondContact O-ND2 3.27Å; S114-N294 WeakPolarHBondContact OG-CB 3.13Å; E292-N294 VanDerWaalsContact C-N 3.26Å; E292-N294 PolarHBondContact O-N 2.84Å
295	V	97.1	Very high	96.4	Very high	35 Å²	35	41.1 Å²	41.1	21%	0.212	21%	0.209	C	C	.	.	S	Bend	trans	-98.8	128.5	177.6	177.7	0	0	0	0	109.2	I289 E292	I289-V295 HydrophobicContact CB-CB 4.02Å; I289-V295 HydrophobicContact CB-CG1 3.91Å; I289-V295 HydrophobicContact CG2-CB 4.13Å; I289-V295 HydrophobicContact CG2-CG1 3.59Å; E292-V295 HydrophobicContact CB-CB 4.36Å; E292-V295 HydrophobicContact CB-CG2 3.69Å; E292-V295 HydrophobicContact CG-CG2 4.49Å; E292-V295 PolarHBondContact O-N 3.04Å; E292-V295 WeakPolarHBondContact OE2-CG2 3.41Å
296	P	97.9	Very high	96.4	Very high	16 Å²	16	41.3 Å²	41.3	10%	0.104	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-60.5	141.3	178.5	-24.5	32.9	0	0	0	113.6	H236 R288 L346 I347	H236-P296 WeakPolarHBondContact CE1-CG 3.36Å; H236-P296 WeakPolarHBondContact NE2-CG 3.3Å; R288-P296 PolarHBondContact NH2-O 3.31Å; P296-L346 HydrophobicContact CB-CB 4.17Å; P296-L346 HydrophobicContact CB-CD1 4.23Å; P296-I347 CarbonylContact C-O 3.58Å; P296-I347 VanDerWaalsContact CA-O 3.27Å; P296-I347 WeakPolarHBondContact CA-O 3.24Å
297	L	98.4	Very high	96.5	Very high	3 Å²	3	39.9 Å²	39.9	2%	0.016	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	138.2	171.2	-59.8	173.9	0	0	0	110.4	D264 V281 E285 I289 T299 L346 I347	D264-L297 WeakPolarHBondContact O-CD1 3.21Å; V281-L297 HydrophobicContact CG1-CD2 4.17Å; V281-L297 HydrophobicContact CG2-CD1 3.51Å; V281-L297 HydrophobicContact CG2-CD2 3.92Å; V281-L297 HydrophobicContact CG2-CG 4.31Å; E285-L297 HydrophobicContact CG-CD2 4.18Å; I289-L297 HydrophobicContact CD1-CD2 3.86Å; L297-T299 PolarHBondContact O-N 3.43Å; L297-L346 CarbonylContact O-C 3.14Å; L297-L346 WeakPolarHBondContact O-CA 3.42Å; L297-I347 HydrophobicContact CB-CB 4.33Å; L297-I347 PolarHBondContact N-O 2.87Å; L297-I347 PolarHBondContact O-N 3.43Å
298	R	98.2	Very high	96.6	Very high	101 Å²	101	34.5 Å²	34.5	38%	0.381	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	100.8	166.7	-72.3	179.4	164.5	175.7	-5.3	108.9	W267 E285 W339 E344 L346	W267-R298 VanDerWaalsContact CE3-O 3.29Å; W267-R298 WeakPolarHBondContact CZ3-O 3.37Å; E285-R298 PolarHBondContact OE1-N 2.98Å; R298-W339 HydrophobicContact CB-CH2 4Å; R298-W339 HydrophobicContact CB-CZ2 4.05Å; R298-W339 HydrophobicContact CG-CH2 4.02Å; R298-W339 HydrophobicContact CG-CZ2 4.49Å; R298-E344 IonicContact CZ-OE1 3.74Å; R298-E344 IonicContact NE-OE1 3.74Å; R298-E344 IonicContact NH2-OE1 2.83Å; R298-E344 PolarHBondContact NH2-OE1 3.02Å; R298-L346 HydrophobicContact CG-CD2 3.85Å
299	T	98.5	Very high	96.6	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.158	C	C	.	.			trans	-91.8	134	-174.3	-173.9	0	0	0	0	111.9	G268 L297 T301 W339 L345 I347	G268-T299 PolarHBondContact N-OG1 3.4Å; G268-T299 PolarHBondContact O-OG1 3.45Å; L297-T299 PolarHBondContact O-N 3.43Å; T299-T301 VanDerWaalsContact C-N 3.32Å; T299-T301 WeakPolarHBondContact CG2-O 3.15Å; T299-T301 PolarHBondContact O-N 3.1Å; T299-T301 PolarHBondContact OG1-O 3Å; T299-W339 PolarHBondContact O-NE1 2.98Å; T299-L345 HydrophobicContact CG2-CB 4.3Å; T299-L345 HydrophobicContact CG2-CD2 3.79Å; T299-L345 HydrophobicContact CG2-CG 3.55Å; T299-L345 PolarHBondContact N-O 3.41Å; T299-I347 HydrophobicContact CG2-CD1 3.97Å; T299-I347 HydrophobicContact CG2-CG1 3.75Å
300	P	98.4	Very high	96.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.157	C	C	.	.	S	Bend	trans	-58.1	-41.9	175	-28.2	34.5	0	0	0	113.2	W267 G268 Y425 Y430	W267-P300 HydrophobicContact CD2-CG 4.37Å; W267-P300 HydrophobicContact CE3-CG 4.15Å; W267-P300 HydrophobicContact CH2-CG 4.04Å; W267-P300 HydrophobicContact CZ2-CG 4.3Å; W267-P300 HydrophobicContact CZ3-CG 3.97Å; G268-P300 WeakPolarHBondContact O-CB 3.34Å; G268-P300 WeakPolarHBondContact O-CD 3.33Å; P300-Y425 WeakPolarHBondContact CB-OH 3.27Å; P300-Y425 PolarHBondContact O-OH 2.98Å; P300-Y430 HydrophobicContact CB-CD1 3.94Å; P300-Y430 HydrophobicContact CB-CD2 4.23Å; P300-Y430 HydrophobicContact CB-CG 3.78Å; P300-Y430 HydrophobicContact CG-CD1 4.22Å; P300-Y430 HydrophobicContact CG-CD2 3.6Å; P300-Y430 HydrophobicContact CG-CE2 4.16Å; P300-Y430 HydrophobicContact CG-CG 3.66Å
301	T	98.1	Very high	96.8	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-138.4	171	178.3	67.3	0	0	0	0	112.3	G268 T269 F270 F276 T299 I332 S335 F336	G268-T301 WeakPolarHBondContact CA-O 3.48Å; G268-T301 PolarHBondContact O-N 2.85Å; G268-T301 VanDerWaalsContact O-N 3.13Å; G268-T301 PolarHBondContact O-OG1 3.3Å; T269-T301 PolarHBondContact N-OG1 3.06Å; T269-T301 PolarHBondContact O-OG1 2.75Å; T269-T301 VanDerWaalsContact O-OG1 3.09Å; F270-T301 HydrophobicContact CB-CG2 4.48Å; F270-T301 HydrophobicContact CD1-CG2 3.51Å; F270-T301 HydrophobicContact CE1-CG2 4.16Å; F270-T301 HydrophobicContact CG-CG2 4.33Å; F276-T301 WeakPolarHBondContact CE2-OG1 3.29Å; T299-T301 VanDerWaalsContact C-N 3.32Å; T299-T301 WeakPolarHBondContact CG2-O 3.15Å; T299-T301 PolarHBondContact O-N 3.1Å; T299-T301 PolarHBondContact OG1-O 3Å; T301-I332 HydrophobicContact CG2-CD1 3.9Å; T301-S335 VanDerWaalsContact CA-OG 3.31Å; T301-S335 WeakPolarHBondContact CA-OG 3.38Å; T301-F336 HydrophobicContact CG2-CE1 4.24Å
302	M	97.2	Very high	97	Very high	4 Å²	4	29.3 Å²	29.3	2%	0.02	14%	0.143	C	C	.	.			trans	-127.3	157.7	172.1	60.8	172	-177.1	0	0	111.3	I244 F276 G304 F307 N331 L334 S335 L345	I244-M302 HydrophobicContact CD1-CE 4.45Å; I244-M302 HydrophobicContact CG2-SD 4.01Å; F276-M302 WeakPolarHBondContact CD2-O 3.16Å; M302-G304 PolarHBondContact O-N 2.91Å; M302-F307 HydrophobicContact CE-CD1 4.2Å; M302-F307 HydrophobicContact CE-CE1 4.25Å; M302-F307 HydrophobicContact CE-CG 4.43Å; M302-F307 HydrophobicContact CE-CZ 4.5Å; M302-F307 HydrophobicContact SD-CB 4.19Å; M302-F307 HydrophobicContact SD-CD1 4.12Å; M302-F307 HydrophobicContact SD-CG 4.12Å; M302-N331 WeakPolarHBondContact O-CB 3.37Å; M302-N331 PolarHBondContact O-ND2 3.12Å; M302-L334 HydrophobicContact CE-CB 4.15Å; M302-L334 HydrophobicContact CE-CD2 3.32Å; M302-L334 HydrophobicContact CE-CG 3.73Å; M302-S335 PolarHBondContact N-OG 2.89Å; M302-S335 VanDerWaalsContact N-OG 3.1Å; M302-L345 HydrophobicContact CB-CD1 4.25Å; M302-L345 HydrophobicContact CB-CD2 4.02Å; M302-L345 HydrophobicContact CG-CD1 4.18Å; M302-L345 HydrophobicContact CG-CD2 4.09Å; M302-L345 HydrophobicContact SD-CD1 3.82Å
303	A	92.8	Very high	97.1	Very high	29 Å²	29	25.1 Å²	25.1	24%	0.24	12%	0.123	C	C	.	.			trans	-67	-21.2	174.3	0	0	0	0	0	112.6	I249 F276 W278 G305	I249-A303 HydrophobicContact CD1-CB 4.2Å; F276-A303 HydrophobicContact CD1-CB 4.49Å; F276-A303 HydrophobicContact CE1-CB 3.97Å; F276-A303 HydrophobicContact CE2-CB 4.43Å; F276-A303 HydrophobicContact CZ-CB 3.94Å; W278-A303 HydrophobicContact CZ2-CB 3.83Å; A303-G305 PolarHBondContact O-N 3.3Å
304	G	89.6	Confident	97.2	Very high	3 Å²	3	22.3 Å²	22.3	3%	0.031	11%	0.11	C	C	.	.	S	Bend	trans	83.9	-19.3	178.1	0	0	0	0	0	114.4	R204 M302 F307	R204-G304 PolarHBondContact NH1-O 3.13Å; R204-G304 PolarHBondContact NH2-O 3.49Å; M302-G304 PolarHBondContact O-N 2.91Å; G304-F307 WeakPolarHBondContact O-CE1 3.34Å
305	G	91.8	Very high	97.3	Very high	9 Å²	9	23.6 Å²	23.6	9%	0.093	11%	0.111	C	C	.	.	S	Bend	trans	-57.4	-52.1	178.7	0	0	0	0	0	113.7	R204 A303	R204-G305 PolarHBondContact NH2-O 3.39Å; A303-G305 PolarHBondContact O-N 3.3Å
306	L	97.9	Very high	97.3	Very high	4 Å²	4	25.9 Å²	25.9	2%	0.021	12%	0.12	C	C	.	.	S	Bend	trans	-132.2	109.9	-163.3	-43.1	178.8	0	0	0	109.9	F218 L219 D220 C223 P247 I249 V353 H355	F218-L306 WeakPolarHBondContact O-CA 3.24Å; L219-L306 HydrophobicContact CB-CD2 4.39Å; L219-L306 HydrophobicContact CD2-CB 4.38Å; L219-L306 HydrophobicContact CD2-CD2 3.84Å; D220-L306 HydrophobicContact CB-CD2 4.29Å; C223-L306 WeakPolarHBondContact SG-CD2 3.41Å; P247-L306 WeakPolarHBondContact CD-O 3.38Å; P247-L306 HydrophobicContact CG-CB 3.95Å; P247-L306 HydrophobicContact CG-CD1 4.48Å; I249-L306 HydrophobicContact CB-CD1 4.5Å; I249-L306 HydrophobicContact CD1-CB 4.39Å; I249-L306 HydrophobicContact CD1-CD1 3.94Å; I249-L306 HydrophobicContact CD1-CG 4.13Å; I249-L306 HydrophobicContact CG1-CD1 4Å; I249-L306 HydrophobicContact CG2-CD1 3.95Å; L306-V353 HydrophobicContact CD1-CB 4.01Å; L306-V353 HydrophobicContact CD1-CG1 3.74Å; L306-H355 HydrophobicContact CD1-CB 4.42Å
307	F	98.6	Very high	97.3	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.009	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	158.7	177.1	67.5	-84.3	0	0	0	112.1	T217 F218 I244 V245 M302 G304 I309 Y320 L334	T217-F307 WeakPolarHBondContact CA-O 3.46Å; F218-F307 HydrophobicContact CB-CD1 4.29Å; F218-F307 HydrophobicContact CB-CE1 4.02Å; F218-F307 HydrophobicContact CB-CZ 4.42Å; F218-F307 HydrophobicContact CD2-CD1 4.32Å; F218-F307 HydrophobicContact CD2-CD2 4.08Å; F218-F307 AromaticContact CD2-CE1 3.68Å; F218-F307 HydrophobicContact CD2-CE1 3.68Å; F218-F307 AromaticContact CD2-CE2 3.44Å; F218-F307 HydrophobicContact CD2-CE2 3.44Å; F218-F307 VanDerWaalsContact CD2-CE2 3.44Å; F218-F307 AromaticContact CD2-CZ 3.2Å; F218-F307 HydrophobicContact CD2-CZ 3.2Å; F218-F307 HydrophobicContact CE2-CE1 4.44Å; F218-F307 AromaticContact CE2-CE2 3.7Å; F218-F307 HydrophobicContact CE2-CE2 3.7Å; F218-F307 AromaticContact CE2-CZ 3.57Å; F218-F307 HydrophobicContact CE2-CZ 3.57Å; F218-F307 HydrophobicContact CG-CE1 4.03Å; F218-F307 AromaticContact CG-CZ 3.97Å; F218-F307 HydrophobicContact CG-CZ 3.97Å; F218-F307 PolarHBondContact N-O 2.92Å; F218-F307 PolarHBondContact O-N 2.72Å; I244-F307 HydrophobicContact CG2-CB 3.77Å; I244-F307 HydrophobicContact CG2-CD2 3.62Å; I244-F307 HydrophobicContact CG2-CG 3.96Å; V245-F307 CarbonylContact O-C 3.57Å; V245-F307 WeakPolarHBondContact O-CA 3.45Å; M302-F307 HydrophobicContact CE-CD1 4.2Å; M302-F307 HydrophobicContact CE-CE1 4.25Å; M302-F307 HydrophobicContact CE-CG 4.43Å; M302-F307 HydrophobicContact CE-CZ 4.5Å; M302-F307 HydrophobicContact SD-CB 4.19Å; M302-F307 HydrophobicContact SD-CD1 4.12Å; M302-F307 HydrophobicContact SD-CG 4.12Å; G304-F307 WeakPolarHBondContact O-CE1 3.34Å; F307-I309 HydrophobicContact CD2-CB 4.39Å; F307-I309 HydrophobicContact CD2-CG2 4.3Å; F307-I309 HydrophobicContact CE2-CB 4.38Å; F307-I309 HydrophobicContact CE2-CG2 3.91Å; F307-Y320 WeakPolarHBondContact CE1-OH 3.5Å; F307-Y320 VanDerWaalsContact CZ-OH 3.3Å; F307-Y320 WeakPolarHBondContact CZ-OH 3.32Å; F307-L334 HydrophobicContact CZ-CD2 4.28Å
308	T	98.8	Very high	97.2	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	139.8	172.1	-53.1	0	0	0	0	111	L216 T217 L234 I237 I244 V245	L216-T308 VanDerWaalsContact O-CA 3.27Å; L216-T308 WeakPolarHBondContact O-CA 3.44Å; L216-T308 WeakPolarHBondContact O-CG2 3.26Å; T217-T308 WeakPolarHBondContact CG2-OG1 3.42Å; T217-T308 VanDerWaalsContact OG1-CG2 3.26Å; T217-T308 WeakPolarHBondContact OG1-CG2 3.23Å; T217-T308 PolarHBondContact OG1-OG1 3.33Å; L234-T308 HydrophobicContact CD2-CG2 4.11Å; I237-T308 HydrophobicContact CD1-CG2 3.32Å; I244-T308 WeakPolarHBondContact CA-O 2.99Å; V245-T308 PolarHBondContact N-O 3.24Å; V245-T308 PolarHBondContact O-N 3.49Å
309	I	98.8	Very high	97.2	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	153	179.3	-169.5	176.4	0	0	0	109.6	T215 L216 F218 I244 F307 Y313 F314 I317	T215-I309 CarbonylContact C-O 3.57Å; T215-I309 WeakPolarHBondContact CA-O 3.37Å; L216-I309 HydrophobicContact CB-CG2 4.13Å; L216-I309 PolarHBondContact N-O 2.89Å; L216-I309 PolarHBondContact O-N 3.43Å; F218-I309 HydrophobicContact CE2-CG2 4.38Å; I244-I309 HydrophobicContact CD1-CD1 3.69Å; I244-I309 HydrophobicContact CD1-CG1 4.46Å; I244-I309 HydrophobicContact CG1-CB 4.22Å; I244-I309 HydrophobicContact CG1-CD1 3.62Å; I244-I309 HydrophobicContact CG1-CG1 3.9Å; F307-I309 HydrophobicContact CD2-CB 4.39Å; F307-I309 HydrophobicContact CD2-CG2 4.3Å; F307-I309 HydrophobicContact CE2-CB 4.38Å; F307-I309 HydrophobicContact CE2-CG2 3.91Å; I309-Y313 HydrophobicContact CD1-CD1 3.78Å; I309-Y313 HydrophobicContact CD1-CE1 4.39Å; I309-Y313 HydrophobicContact CG1-CD1 3.89Å; I309-F314 HydrophobicContact CD1-CB 3.91Å; I309-F314 HydrophobicContact CD1-CD2 4.13Å; I309-F314 HydrophobicContact CG1-CB 4.42Å; I309-F314 HydrophobicContact CG2-CB 4.01Å; I309-F314 HydrophobicContact CG2-CD2 4.09Å; I309-F314 HydrophobicContact CG2-CG 4.36Å; I309-I317 HydrophobicContact CD1-CD1 4.48Å
310	T	98.8	Very high	97	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.006	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	140.5	167.7	67.3	0	0	0	0	110.4	T215 I237 Q241 E312 Y313 F314	T215-T310 HydrophobicContact CG2-CG2 4.34Å; I237-T310 HydrophobicContact CG2-CG2 3.35Å; Q241-T310 HydrophobicContact CB-CG2 3.84Å; Q241-T310 HydrophobicContact CG-CG2 3.94Å; Q241-T310 PolarHBondContact O-OG1 3.23Å; T310-E312 PolarHBondContact O-N 2.87Å; T310-Y313 PolarHBondContact O-N 3.34Å; T310-Y313 WeakPolarHBondContact OG1-CB 3.05Å; T310-Y313 PolarHBondContact OG1-N 3.4Å; T310-Y313 VanDerWaalsContact OG1-N 3.12Å; T310-F314 WeakPolarHBondContact O-CB 3.42Å; T310-F314 PolarHBondContact O-N 3.18Å
311	R	98.6	Very high	96.9	Very high	88 Å²	88	21.9 Å²	21.9	33%	0.332	11%	0.11	S	C	.	.	H	α-helix	trans	-59.2	-40.8	177.6	-176.4	179.1	176.8	-74.6	-1.4	111.2	S211 K214 L216 F314 Y315	S211-R311 PolarHBondContact O-NE 3.26Å; S211-R311 VanDerWaalsContact O-NE 3.12Å; K214-R311 PolarHBondContact O-N 2.99Å; L216-R311 HydrophobicContact CD1-CB 4.28Å; L216-R311 HydrophobicContact CD1-CG 4.24Å; L216-R311 HydrophobicContact CD2-CB 3.97Å; L216-R311 HydrophobicContact CD2-CG 4.03Å; L216-R311 HydrophobicContact CG-CB 3.91Å; L216-R311 HydrophobicContact CG-CG 4.25Å; R311-F314 PolarHBondContact O-N 3.22Å; R311-Y315 HydrophobicContact CG-CD2 4.04Å; R311-Y315 HydrophobicContact CG-CE2 3.76Å; R311-Y315 WeakPolarHBondContact O-CD2 3.41Å; R311-Y315 PolarHBondContact O-N 3.46Å
312	E	98.4	Very high	96.6	Very high	115 Å²	115	28 Å²	28	54%	0.537	14%	0.139	S	C	.	.	H	α-helix	trans	-60.8	-52.4	177.3	-176.3	174.2	-177.4	0	0	111.6	K214 T310 F314 Y315 E316	K214-E312 IonicContact NZ-OE2 3.97Å; K214-E312 PolarHBondContact NZ-OE2 2.89Å; T310-E312 PolarHBondContact O-N 2.87Å; E312-F314 VanDerWaalsContact C-N 3.35Å; E312-F314 PolarHBondContact O-N 3.12Å; E312-Y315 PolarHBondContact O-N 3.13Å; E312-E316 WeakPolarHBondContact O-CB 3.41Å; E312-E316 PolarHBondContact O-N 3.48Å
313	Y	98.6	Very high	96.4	Very high	3 Å²	3	31.1 Å²	31.1	1%	0.012	16%	0.156	C	C	.	.	H	α-helix	trans	-62.9	-41.9	178.3	-174.1	-128.2	0	0	0	111.4	Q241 K242 I309 T310 Y315 E316 I317 G343	Q241-Y313 WeakPolarHBondContact O-CB 3.38Å; K242-Y313 HydrophobicContact CB-CD2 4.25Å; K242-Y313 HydrophobicContact CB-CE1 4.18Å; K242-Y313 HydrophobicContact CB-CE2 3.87Å; K242-Y313 HydrophobicContact CD-CD2 4.42Å; K242-Y313 HydrophobicContact CD-CE2 4Å; K242-Y313 HydrophobicContact CG-CD2 3.9Å; K242-Y313 HydrophobicContact CG-CE2 3.78Å; K242-Y313 WeakPolarHBondContact O-CE1 2.91Å; I309-Y313 HydrophobicContact CD1-CD1 3.78Å; I309-Y313 HydrophobicContact CD1-CE1 4.39Å; I309-Y313 HydrophobicContact CG1-CD1 3.89Å; T310-Y313 PolarHBondContact O-N 3.34Å; T310-Y313 WeakPolarHBondContact OG1-CB 3.05Å; T310-Y313 PolarHBondContact OG1-N 3.4Å; T310-Y313 VanDerWaalsContact OG1-N 3.12Å; Y313-Y315 VanDerWaalsContact C-N 3.27Å; Y313-Y315 PolarHBondContact O-N 2.89Å; Y313-E316 WeakPolarHBondContact O-CB 3.46Å; Y313-E316 PolarHBondContact O-N 3.39Å; Y313-E316 VanDerWaalsContact O-N 3.12Å; Y313-I317 HydrophobicContact CD2-CG2 3.81Å; Y313-I317 HydrophobicContact CE1-CD1 4.07Å; Y313-I317 HydrophobicContact CE1-CG2 4.46Å; Y313-I317 HydrophobicContact CE2-CG2 3.23Å; Y313-I317 VanDerWaalsContact O-CG1 3.31Å; Y313-I317 WeakPolarHBondContact O-CG1 3.02Å; Y313-I317 PolarHBondContact O-N 3.29Å; Y313-G343 VanDerWaalsContact OH-CA 3.31Å; Y313-G343 WeakPolarHBondContact OH-CA 3.31Å
314	F	98.5	Very high	96.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-50.8	-45.6	176.5	-177.3	-106.9	0	0	0	112.3	L205 A208 L216 F218 I309 T310 R311 E312 A319 Y320	L205-F314 HydrophobicContact CD2-CE1 4.29Å; L205-F314 HydrophobicContact CD2-CZ 4.17Å; A208-F314 HydrophobicContact CB-CD1 4.32Å; A208-F314 HydrophobicContact CB-CE1 3.72Å; A208-F314 HydrophobicContact CB-CZ 4.4Å; L216-F314 HydrophobicContact CD1-CB 4.09Å; L216-F314 HydrophobicContact CD1-CD1 3.79Å; L216-F314 HydrophobicContact CD1-CE1 4.38Å; L216-F314 HydrophobicContact CD1-CG 3.95Å; F218-F314 HydrophobicContact CE2-CE2 4.35Å; F218-F314 HydrophobicContact CZ-CE2 4.32Å; F218-F314 HydrophobicContact CZ-CZ 4.2Å; I309-F314 HydrophobicContact CD1-CB 3.91Å; I309-F314 HydrophobicContact CD1-CD2 4.13Å; I309-F314 HydrophobicContact CG1-CB 4.42Å; I309-F314 HydrophobicContact CG2-CB 4.01Å; I309-F314 HydrophobicContact CG2-CD2 4.09Å; I309-F314 HydrophobicContact CG2-CG 4.36Å; T310-F314 WeakPolarHBondContact O-CB 3.42Å; T310-F314 PolarHBondContact O-N 3.18Å; R311-F314 PolarHBondContact O-N 3.22Å; E312-F314 VanDerWaalsContact C-N 3.35Å; E312-F314 PolarHBondContact O-N 3.12Å; F314-A319 HydrophobicContact CD1-CB 3.93Å; F314-A319 HydrophobicContact CE1-CB 3.43Å; F314-A319 VanDerWaalsContact CE1-CB 3.43Å; F314-A319 HydrophobicContact CE2-CB 4.35Å; F314-A319 HydrophobicContact CZ-CB 3.68Å; F314-A319 WeakPolarHBondContact O-CA 3.48Å; F314-A319 PolarHBondContact O-N 3.03Å; F314-Y320 HydrophobicContact CE2-CD2 4.36Å; F314-Y320 HydrophobicContact CE2-CE2 4.38Å; F314-Y320 HydrophobicContact CZ-CD2 4.08Å; F314-Y320 HydrophobicContact CZ-CE2 4.39Å
315	Y	98.1	Very high	96.3	Very high	83 Å²	83	32 Å²	32	33%	0.325	15%	0.154	S	C	.	.	H	α-helix	trans	-80.3	-34.3	176.9	-69.1	-65.7	0	0	0	113.8	A208 K209 R311 E312 Y313 I317 G318 A319	A208-Y315 PolarHBondContact O-OH 2.92Å; K209-Y315 WeakPolarHBondContact CA-OH 3.09Å; K209-Y315 PolarHBondContact N-OH 3.41Å; R311-Y315 HydrophobicContact CG-CD2 4.04Å; R311-Y315 HydrophobicContact CG-CE2 3.76Å; R311-Y315 WeakPolarHBondContact O-CD2 3.41Å; R311-Y315 PolarHBondContact O-N 3.46Å; E312-Y315 PolarHBondContact O-N 3.13Å; Y313-Y315 VanDerWaalsContact C-N 3.27Å; Y313-Y315 PolarHBondContact O-N 2.89Å; Y315-I317 VanDerWaalsContact C-N 3.27Å; Y315-I317 PolarHBondContact O-N 2.72Å; Y315-G318 PolarHBondContact O-N 3.21Å; Y315-A319 HydrophobicContact CD1-CB 4.23Å; Y315-A319 HydrophobicContact CE1-CB 4.37Å
316	E	97.6	Very high	95.9	Very high	83 Å²	83	32.6 Å²	32.6	39%	0.388	16%	0.155	S	C	.	.	H	α-helix	trans	-54.4	-45.3	174.8	-177.5	-169.5	152.7	0	0	110.8	K242 E312 Y313 G318	K242-E316 IonicContact NZ-OE1 2.73Å; K242-E316 PolarHBondContact NZ-OE1 3.08Å; E312-E316 WeakPolarHBondContact O-CB 3.41Å; E312-E316 PolarHBondContact O-N 3.48Å; Y313-E316 WeakPolarHBondContact O-CB 3.46Å; Y313-E316 PolarHBondContact O-N 3.39Å; Y313-E316 VanDerWaalsContact O-N 3.12Å; E316-G318 PolarHBondContact O-N 3.14Å
317	I	97.7	Very high	95.3	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.01	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	8.2	177.8	66.3	169.3	0	0	0	113.5	I309 Y313 Y315 L334 R337 V338 L417	I309-I317 HydrophobicContact CD1-CD1 4.48Å; Y313-I317 HydrophobicContact CD2-CG2 3.81Å; Y313-I317 HydrophobicContact CE1-CD1 4.07Å; Y313-I317 HydrophobicContact CE1-CG2 4.46Å; Y313-I317 HydrophobicContact CE2-CG2 3.23Å; Y313-I317 VanDerWaalsContact O-CG1 3.31Å; Y313-I317 WeakPolarHBondContact O-CG1 3.02Å; Y313-I317 PolarHBondContact O-N 3.29Å; Y315-I317 VanDerWaalsContact C-N 3.27Å; Y315-I317 PolarHBondContact O-N 2.72Å; I317-L334 HydrophobicContact CD1-CD1 3.75Å; I317-R337 VanDerWaalsContact CG1-NH1 3.28Å; I317-R337 VanDerWaalsContact O-CD 3.31Å; I317-R337 WeakPolarHBondContact O-CD 3.47Å; I317-R337 PolarHBondContact O-NH1 3.38Å; I317-V338 HydrophobicContact CD1-CG2 3.79Å; I317-L417 HydrophobicContact CB-CD1 4.4Å; I317-L417 HydrophobicContact CG2-CD1 4.44Å
318	G	97	Very high	94.7	Very high	19 Å²	19	37.3 Å²	37.3	20%	0.196	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	82	27.7	173.7	0	0	0	0	0	116.4	Y315 E316 R410	Y315-G318 PolarHBondContact O-N 3.21Å; E316-G318 PolarHBondContact O-N 3.14Å; G318-R410 PolarHBondContact O-NH1 3.15Å; G318-R410 PolarHBondContact O-NH2 3.18Å
319	A	96.7	Very high	94.3	Very high	8 Å²	8	37.4 Å²	37.4	7%	0.066	17%	0.174	C	C	.	.			trans	51.7	-142.3	172.2	0	0	0	0	0	113	L205 F314 Y315 R337	L205-A319 HydrophobicContact CD2-CB 3.65Å; F314-A319 HydrophobicContact CD1-CB 3.93Å; F314-A319 HydrophobicContact CE1-CB 3.43Å; F314-A319 VanDerWaalsContact CE1-CB 3.43Å; F314-A319 HydrophobicContact CE2-CB 4.35Å; F314-A319 HydrophobicContact CZ-CB 3.68Å; F314-A319 WeakPolarHBondContact O-CA 3.48Å; F314-A319 PolarHBondContact O-N 3.03Å; Y315-A319 HydrophobicContact CD1-CB 4.23Å; Y315-A319 HydrophobicContact CE1-CB 4.37Å; A319-R337 VanDerWaalsContact O-CZ 3.24Å; A319-R337 PolarHBondContact O-NH1 2.81Å; A319-R337 PolarHBondContact O-NH2 3.3Å
320	Y	96	Very high	94.1	Very high	1 Å²	1	37.4 Å²	37.4	0%	0.004	17%	0.174	C	C	.	.	S	Bend	trans	-86.8	163.6	163.4	-70.4	-59.8	0	0	0	111.6	I201 R204 L205 F307 F314 E322 E330 L334 R410	I201-Y320 HydrophobicContact CG2-CD2 4.45Å; I201-Y320 HydrophobicContact CG2-CG 4.18Å; R204-Y320 HydrophobicContact CB-CD2 4.47Å; R204-Y320 HydrophobicContact CB-CE2 4.13Å; R204-Y320 PolarHBondContact NH1-OH 2.9Å; L205-Y320 HydrophobicContact CD2-CD2 4.34Å; L205-Y320 HydrophobicContact CG-CD2 4.29Å; F307-Y320 WeakPolarHBondContact CE1-OH 3.5Å; F307-Y320 VanDerWaalsContact CZ-OH 3.3Å; F307-Y320 WeakPolarHBondContact CZ-OH 3.32Å; F314-Y320 HydrophobicContact CE2-CD2 4.36Å; F314-Y320 HydrophobicContact CE2-CE2 4.38Å; F314-Y320 HydrophobicContact CZ-CD2 4.08Å; F314-Y320 HydrophobicContact CZ-CE2 4.39Å; Y320-E322 PolarHBondContact O-N 3.32Å; Y320-E330 HydrophobicContact CD1-CB 3.85Å; Y320-E330 HydrophobicContact CD1-CG 4.05Å; Y320-E330 HydrophobicContact CE1-CB 3.93Å; Y320-E330 HydrophobicContact CE1-CG 3.66Å; Y320-L334 HydrophobicContact CD1-CD2 4.4Å; Y320-L334 HydrophobicContact CE1-CB 4.47Å; Y320-L334 HydrophobicContact CE1-CD2 3.69Å; Y320-R410 PolarHBondContact O-NH2 3.13Å
321	D	95.3	Very high	93.9	Very high	5 Å²	5	38 Å²	38	3%	0.027	18%	0.177	C	C	.	.			trans	-71.9	108.9	170	-162.1	6.9	0	0	0	112.4	D323 M324 R379 R410	D321-D323 PolarHBondContact O-N 3.02Å; D321-M324 HydrophobicContact CB-CB 4.31Å; D321-M324 HydrophobicContact CB-CE 4.11Å; D321-M324 HydrophobicContact CB-CG 3.75Å; D321-M324 HydrophobicContact CB-SD 3.85Å; D321-M324 WeakPolarHBondContact O-CB 3.48Å; D321-M324 PolarHBondContact O-N 3.44Å; D321-R379 IonicContact OD1-CZ 3.72Å; D321-R379 IonicContact OD1-NH2 2.76Å; D321-R379 PolarHBondContact OD1-NH2 3.39Å; D321-R379 VanDerWaalsContact OD1-NH2 3.1Å; D321-R379 IonicContact OD2-CZ 3.12Å; D321-R379 IonicContact OD2-NE 3.75Å; D321-R379 PolarHBondContact OD2-NE 2.03Å; D321-R379 IonicContact OD2-NH2 3Å; D321-R379 PolarHBondContact OD2-NH2 2.8Å; D321-R410 VanDerWaalsContact CA-CZ 3.46Å; D321-R410 VanDerWaalsContact CA-NH2 3.28Å; D321-R410 IonicContact OD1-CZ 3.82Å; D321-R410 IonicContact OD1-NE 3.96Å; D321-R410 PolarHBondContact OD1-NE 3.37Å; D321-R410 IonicContact OD1-NH2 2.75Å; D321-R410 IonicContact OD2-NE 3.98Å
322	E	92.5	Very high	93.9	Very high	130 Å²	130	33.8 Å²	33.8	61%	0.607	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-24.4	-177.4	-61.8	-175.3	159.2	0	0	113.1	R202 L205 Y320	R202-E322 PolarHBondContact NE-O 3.47Å; R202-E322 PolarHBondContact NH2-O 2.97Å; L205-E322 HydrophobicContact CD1-CG 3.95Å; Y320-E322 PolarHBondContact O-N 3.32Å
323	D	93.2	Very high	93.8	Very high	69 Å²	69	28.4 Å²	28.4	37%	0.369	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-9.2	177	-61.8	-36.5	0	0	0	112.9	D321 K375 R379	D321-D323 PolarHBondContact O-N 3.02Å; D323-K375 VanDerWaalsContact O-CE 3.3Å; D323-K375 WeakPolarHBondContact O-CE 3.47Å; D323-R379 VanDerWaalsContact CB-NH2 3.31Å; D323-R379 IonicContact OD2-CZ 3.58Å; D323-R379 IonicContact OD2-NH1 2.86Å; D323-R379 IonicContact OD2-NH2 3.95Å; D323-R379 PolarHBondContact OD2-NH2 3.33Å
324	M	92.9	Very high	93.8	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.135	C	C	.	.	S	Bend	trans	-71.5	146.9	168.7	-76.3	177.4	-179.4	0	0	110.3	I201 D321 E330 E333 N376 T380	I201-M324 HydrophobicContact CD1-CB 3.65Å; D321-M324 HydrophobicContact CB-CB 4.31Å; D321-M324 HydrophobicContact CB-CE 4.11Å; D321-M324 HydrophobicContact CB-CG 3.75Å; D321-M324 HydrophobicContact CB-SD 3.85Å; D321-M324 WeakPolarHBondContact O-CB 3.48Å; D321-M324 PolarHBondContact O-N 3.44Å; M324-E330 HydrophobicContact SD-CB 4.05Å; M324-E333 HydrophobicContact CE-CB 3.94Å; M324-E333 HydrophobicContact CE-CG 3.87Å; M324-N376 VanDerWaalsContact CA-OD1 3.27Å; M324-N376 WeakPolarHBondContact CA-OD1 3.42Å; M324-N376 WeakPolarHBondContact CB-OD1 3.27Å; M324-N376 HydrophobicContact CG-CB 4.05Å; M324-N376 HydrophobicContact SD-CB 4.39Å; M324-T380 WeakPolarHBondContact CE-OG1 3.44Å
325	E	87.1	Confident	93.8	Very high	49 Å²	49	28.3 Å²	28.3	23%	0.229	14%	0.135	C	C	.	.			trans	-113	139.5	-173.1	-70.5	-178.5	-177.9	0	0	112.1	W327 I372 K375 N376	E325-W327 PolarHBondContact O-N 2.72Å; E325-I372 HydrophobicContact CB-CG2 4.07Å; E325-I372 VanDerWaalsContact O-CG2 3.3Å; E325-I372 WeakPolarHBondContact O-CG2 3.34Å; E325-K375 HydrophobicContact CG-CD 4.31Å; E325-K375 IonicContact OE1-NZ 3.33Å; E325-K375 PolarHBondContact OE1-NZ 2.93Å; E325-N376 PolarHBondContact N-OD1 2.75Å; E325-N376 PolarHBondContact O-ND2 2.96Å
326	I	82.3	Confident	93.8	Very high	23 Å²	23	24.3 Å²	24.3	12%	0.118	12%	0.12	C	C	.	.	S	Bend	trans	55.3	-84.7	171.8	-49.1	-168	0	0	0	113.9	L200 I201 Y363 W365 I372	L200-I326 WeakPolarHBondContact CB-O 3.45Å; L200-I326 PolarHBondContact N-O 3.02Å; I201-I326 PolarHBondContact N-O 2.94Å; I326-Y363 HydrophobicContact CG2-CE2 4.36Å; I326-W365 HydrophobicContact CB-CE3 3.98Å; I326-W365 HydrophobicContact CB-CH2 4.37Å; I326-W365 HydrophobicContact CB-CZ3 3.65Å; I326-W365 HydrophobicContact CD1-CE3 4.06Å; I326-W365 HydrophobicContact CG2-CD2 4.37Å; I326-W365 HydrophobicContact CG2-CE3 3.81Å; I326-W365 HydrophobicContact CG2-CH2 3.82Å; I326-W365 HydrophobicContact CG2-CZ2 4.38Å; I326-W365 HydrophobicContact CG2-CZ3 3.51Å; I326-I372 HydrophobicContact CB-CG2 4.42Å; I326-I372 HydrophobicContact CD1-CD1 3.58Å; I326-I372 HydrophobicContact CG1-CD1 4.15Å
327	W	84.8	Confident	93.8	Very high	103 Å²	103	20.4 Å²	20.4	39%	0.39	10%	0.101	S	C	.	.	S	Bend	trans	-163.2	151.8	-175.6	167.3	94.8	0	0	0	110.9	L200 E325 W365 L373	L200-W327 HydrophobicContact CB-CB 4.49Å; E325-W327 PolarHBondContact O-N 2.72Å; W327-W365 HydrophobicContact CB-CH2 3.63Å; W327-W365 HydrophobicContact CB-CZ2 4.49Å; W327-W365 HydrophobicContact CB-CZ3 4.33Å; W327-W365 HydrophobicContact CD2-CH2 4.11Å; W327-W365 AromaticContact CE3-CH2 3.57Å; W327-W365 HydrophobicContact CE3-CH2 3.57Å; W327-W365 HydrophobicContact CE3-CZ2 4.05Å; W327-W365 HydrophobicContact CG-CH2 4.18Å; W327-W365 WeakPolarHBondContact O-CH2 3.33Å; W327-W365 WeakPolarHBondContact O-CZ3 3.24Å; W327-L373 HydrophobicContact CE3-CD2 4.41Å; W327-L373 HydrophobicContact CZ3-CD2 4.38Å
328	G	86.1	Confident	93.9	Very high	2 Å²	2	20.3 Å²	20.3	2%	0.021	10%	0.101	C	C	.	.	S	Bend	trans	107.7	129.4	173.4	0	0	0	0	0	111.8	E330 N376	G328-E330 VanDerWaalsContact C-N 3.29Å; G328-E330 VanDerWaalsContact CA-OE2 3.29Å; G328-E330 WeakPolarHBondContact CA-OE2 3.41Å; G328-E330 PolarHBondContact N-OE2 2.98Å; G328-E330 PolarHBondContact O-N 2.72Å; G328-N376 WeakPolarHBondContact O-CB 3.4Å; G328-N376 PolarHBondContact O-ND2 3.34Å
329	G	90.9	Very high	94	Very high	1 Å²	1	20 Å²	20	1%	0.01	9%	0.094	C	C	.	.	S	Bend	trans	87	-20.2	177.7	0	0	0	0	0	115	N331 I332 E333 F377	G329-N331 PolarHBondContact N-OD1 3.39Å; G329-N331 PolarHBondContact O-N 3.36Å; G329-I332 PolarHBondContact O-N 2.94Å; G329-E333 VanDerWaalsContact O-CB 3.29Å; G329-E333 WeakPolarHBondContact O-CB 3.37Å; G329-E333 PolarHBondContact O-N 3.23Å; G329-F377 VanDerWaalsContact CA-CE1 3.46Å
330	E	94.5	Very high	94.1	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.005	9%	0.091	C	C	.	.	H	α-helix	trans	-65.2	-32.1	175.9	81.6	-71	175.6	0	0	112	I201 Y320 M324 G328 L334	I201-E330 HydrophobicContact CD1-CB 3.91Å; I201-E330 HydrophobicContact CD1-CG 4.22Å; I201-E330 HydrophobicContact CG1-CB 4.16Å; I201-E330 HydrophobicContact CG1-CG 4.02Å; Y320-E330 HydrophobicContact CD1-CB 3.85Å; Y320-E330 HydrophobicContact CD1-CG 4.05Å; Y320-E330 HydrophobicContact CE1-CB 3.93Å; Y320-E330 HydrophobicContact CE1-CG 3.66Å; M324-E330 HydrophobicContact SD-CB 4.05Å; G328-E330 VanDerWaalsContact C-N 3.29Å; G328-E330 VanDerWaalsContact CA-OE2 3.29Å; G328-E330 WeakPolarHBondContact CA-OE2 3.41Å; G328-E330 PolarHBondContact N-OE2 2.98Å; G328-E330 PolarHBondContact O-N 2.72Å; E330-L334 WeakPolarHBondContact O-CB 3.43Å; E330-L334 PolarHBondContact O-N 2.8Å
331	N	95.2	Very high	94.2	Very high	12 Å²	12	20.6 Å²	20.6	6%	0.064	10%	0.097	C	C	.	.	H	α-helix	trans	-70.1	-42.1	178.6	68.6	-54.7	0	0	0	111.2	M302 G329 S335	M302-N331 WeakPolarHBondContact O-CB 3.37Å; M302-N331 PolarHBondContact O-ND2 3.12Å; G329-N331 PolarHBondContact N-OD1 3.39Å; G329-N331 PolarHBondContact O-N 3.36Å; N331-S335 WeakPolarHBondContact O-CB 3.49Å; N331-S335 PolarHBondContact O-N 3.41Å; N331-S335 PolarHBondContact O-OG 3.43Å
332	I	97.3	Very high	94.3	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	12%	0.121	C	C	.	.	H	α-helix	trans	-69.6	-46.7	175.5	-59.2	-57.4	0	0	0	110.7	F270 F276 T301 G329 L334 S335 F336	F270-I332 HydrophobicContact CB-CD1 3.99Å; F276-I332 HydrophobicContact CB-CD1 4.3Å; F276-I332 HydrophobicContact CD2-CD1 4.36Å; T301-I332 HydrophobicContact CG2-CD1 3.9Å; G329-I332 PolarHBondContact O-N 2.94Å; I332-L334 PolarHBondContact O-N 2.95Å; I332-S335 WeakPolarHBondContact O-CB 3.17Å; I332-S335 PolarHBondContact O-N 2.89Å; I332-F336 HydrophobicContact CG2-CD1 4.5Å; I332-F336 HydrophobicContact CG2-CD2 3.99Å; I332-F336 HydrophobicContact CG2-CE1 3.94Å; I332-F336 HydrophobicContact CG2-CE2 3.35Å; I332-F336 HydrophobicContact CG2-CZ 3.32Å; I332-F336 WeakPolarHBondContact O-CG 3Å; I332-F336 PolarHBondContact O-N 2.96Å
333	E	97.8	Very high	94.6	Very high	2 Å²	2	16.8 Å²	16.8	1%	0.009	9%	0.094	C	C	.	.	H	α-helix	trans	-58.1	-50.2	178.8	-171.8	-82.6	156.8	0	0	112.1	M324 G329 S335 F336 R337 T380 W384	M324-E333 HydrophobicContact CE-CB 3.94Å; M324-E333 HydrophobicContact CE-CG 3.87Å; G329-E333 VanDerWaalsContact O-CB 3.29Å; G329-E333 WeakPolarHBondContact O-CB 3.37Å; G329-E333 PolarHBondContact O-N 3.23Å; E333-S335 VanDerWaalsContact C-N 3.28Å; E333-S335 PolarHBondContact O-N 3.37Å; E333-F336 PolarHBondContact O-N 2.77Å; E333-R337 WeakPolarHBondContact O-CB 3.49Å; E333-R337 PolarHBondContact O-N 3.37Å; E333-R337 IonicContact OE1-CZ 2.67Å; E333-R337 IonicContact OE1-NE 2.83Å; E333-R337 PolarHBondContact OE1-NE 3.07Å; E333-R337 IonicContact OE1-NH2 3.47Å; E333-R337 IonicContact OE2-CZ 3.26Å; E333-R337 IonicContact OE2-NE 3.52Å; E333-R337 IonicContact OE2-NH2 3.58Å; E333-R337 PolarHBondContact OE2-NH2 2.92Å; E333-T380 HydrophobicContact CB-CG2 3.94Å; E333-T380 WeakPolarHBondContact CB-OG1 3.24Å; E333-T380 HydrophobicContact CG-CG2 4.27Å; E333-W384 VanDerWaalsContact OE1-CE2 3.32Å; E333-W384 PolarHBondContact OE1-NE1 3.01Å
334	L	98	Very high	94.8	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-63.7	-37.9	179.7	178	55	0	0	0	111	I244 M302 F307 I317 Y320 E330 I332 R337 V338	I244-L334 HydrophobicContact CD1-CD1 3.99Å; I244-L334 HydrophobicContact CD1-CD2 3.99Å; I244-L334 HydrophobicContact CD1-CG 3.94Å; M302-L334 HydrophobicContact CE-CB 4.15Å; M302-L334 HydrophobicContact CE-CD2 3.32Å; M302-L334 HydrophobicContact CE-CG 3.73Å; F307-L334 HydrophobicContact CZ-CD2 4.28Å; I317-L334 HydrophobicContact CD1-CD1 3.75Å; Y320-L334 HydrophobicContact CD1-CD2 4.4Å; Y320-L334 HydrophobicContact CE1-CB 4.47Å; Y320-L334 HydrophobicContact CE1-CD2 3.69Å; E330-L334 WeakPolarHBondContact O-CB 3.43Å; E330-L334 PolarHBondContact O-N 2.8Å; I332-L334 PolarHBondContact O-N 2.95Å; L334-R337 VanDerWaalsContact CD1-NH2 3.32Å; L334-R337 PolarHBondContact O-N 3.07Å; L334-V338 HydrophobicContact CD1-CG2 3.81Å; L334-V338 HydrophobicContact CG-CG2 4.34Å; L334-V338 WeakPolarHBondContact O-CB 3.29Å; L334-V338 WeakPolarHBondContact O-CG2 3.14Å; L334-V338 PolarHBondContact O-N 3.3Å
335	S	98.5	Very high	95.1	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-62.3	-47.4	176.3	-59.3	0	0	0	0	112.3	T301 M302 N331 I332 E333 R337 W339 L345	T301-S335 VanDerWaalsContact CA-OG 3.31Å; T301-S335 WeakPolarHBondContact CA-OG 3.38Å; M302-S335 PolarHBondContact N-OG 2.89Å; M302-S335 VanDerWaalsContact N-OG 3.1Å; N331-S335 WeakPolarHBondContact O-CB 3.49Å; N331-S335 PolarHBondContact O-N 3.41Å; N331-S335 PolarHBondContact O-OG 3.43Å; I332-S335 WeakPolarHBondContact O-CB 3.17Å; I332-S335 PolarHBondContact O-N 2.89Å; E333-S335 VanDerWaalsContact C-N 3.28Å; E333-S335 PolarHBondContact O-N 3.37Å; S335-R337 VanDerWaalsContact C-N 3.34Å; S335-R337 PolarHBondContact O-N 3.01Å; S335-W339 PolarHBondContact O-N 3.36Å; S335-L345 WeakPolarHBondContact OG-CD2 3.19Å
336	F	98.5	Very high	95.7	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-60.8	-44.9	176.4	-69.2	-11.8	0	0	0	111.7	F270 T301 I332 E333 Q340 T380 W384 L385 F422 Y425	F270-F336 AromaticContact CD1-CE1 3.95Å; F270-F336 HydrophobicContact CD1-CE1 3.95Å; F270-F336 HydrophobicContact CD1-CZ 4.17Å; F270-F336 AromaticContact CD2-CZ 3.96Å; F270-F336 HydrophobicContact CD2-CZ 3.96Å; F270-F336 AromaticContact CE1-CE1 3.49Å; F270-F336 HydrophobicContact CE1-CE1 3.49Å; F270-F336 VanDerWaalsContact CE1-CE1 3.49Å; F270-F336 AromaticContact CE1-CZ 3.86Å; F270-F336 HydrophobicContact CE1-CZ 3.86Å; F270-F336 HydrophobicContact CE2-CE1 4.13Å; F270-F336 AromaticContact CE2-CZ 3.64Å; F270-F336 HydrophobicContact CE2-CZ 3.64Å; F270-F336 HydrophobicContact CG-CE1 4.45Å; F270-F336 HydrophobicContact CG-CZ 4.22Å; F270-F336 AromaticContact CZ-CE1 3.6Å; F270-F336 HydrophobicContact CZ-CE1 3.6Å; F270-F336 AromaticContact CZ-CZ 3.59Å; F270-F336 HydrophobicContact CZ-CZ 3.59Å; T301-F336 HydrophobicContact CG2-CE1 4.24Å; I332-F336 HydrophobicContact CG2-CD1 4.5Å; I332-F336 HydrophobicContact CG2-CD2 3.99Å; I332-F336 HydrophobicContact CG2-CE1 3.94Å; I332-F336 HydrophobicContact CG2-CE2 3.35Å; I332-F336 HydrophobicContact CG2-CZ 3.32Å; I332-F336 WeakPolarHBondContact O-CG 3Å; I332-F336 PolarHBondContact O-N 2.96Å; E333-F336 PolarHBondContact O-N 2.77Å; F336-Q340 VanDerWaalsContact O-CB 3.24Å; F336-Q340 WeakPolarHBondContact O-CB 3.44Å; F336-Q340 VanDerWaalsContact O-CG 3.25Å; F336-Q340 WeakPolarHBondContact O-CG 3.47Å; F336-Q340 PolarHBondContact O-N 3.22Å; F336-Q340 PolarHBondContact O-NE2 3.24Å; F336-T380 HydrophobicContact CD2-CG2 4.07Å; F336-T380 HydrophobicContact CE2-CG2 4.24Å; F336-W384 HydrophobicContact CB-CB 4.29Å; F336-W384 HydrophobicContact CD2-CB 4.22Å; F336-L385 HydrophobicContact CD2-CD1 3.79Å; F336-L385 HydrophobicContact CE2-CD1 3.61Å; F336-L385 HydrophobicContact CE2-CG 4.49Å; F336-F422 HydrophobicContact CD1-CE2 4.16Å; F336-F422 HydrophobicContact CD2-CE2 4.11Å; F336-F422 AromaticContact CE1-CE2 3.97Å; F336-F422 HydrophobicContact CE1-CE2 3.97Å; F336-F422 AromaticContact CE2-CE2 3.91Å; F336-F422 HydrophobicContact CE2-CE2 3.91Å; F336-F422 HydrophobicContact CE2-CZ 4.47Å; F336-F422 HydrophobicContact CG-CE2 4.23Å; F336-F422 AromaticContact CZ-CE2 3.84Å; F336-F422 HydrophobicContact CZ-CE2 3.84Å; F336-F422 HydrophobicContact CZ-CZ 4.19Å; F336-Y425 HydrophobicContact CD1-CE1 4.09Å; F336-Y425 HydrophobicContact CD1-CE2 4.19Å; F336-Y425 AromaticContact CD1-CZ 3.81Å; F336-Y425 AromaticContact CE1-CE1 3.97Å; F336-Y425 HydrophobicContact CE1-CE1 3.97Å; F336-Y425 AromaticContact CE1-CZ 3.93Å
337	R	98.3	Very high	96.4	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-64.5	-48.1	-179.5	173.4	162.7	38.6	93	7.6	112	I317 A319 E333 L334 S335 W339 Q340 C341 W384	I317-R337 VanDerWaalsContact CG1-NH1 3.28Å; I317-R337 VanDerWaalsContact O-CD 3.31Å; I317-R337 WeakPolarHBondContact O-CD 3.47Å; I317-R337 PolarHBondContact O-NH1 3.38Å; A319-R337 VanDerWaalsContact O-CZ 3.24Å; A319-R337 PolarHBondContact O-NH1 2.81Å; A319-R337 PolarHBondContact O-NH2 3.3Å; E333-R337 WeakPolarHBondContact O-CB 3.49Å; E333-R337 PolarHBondContact O-N 3.37Å; E333-R337 IonicContact OE1-CZ 2.67Å; E333-R337 IonicContact OE1-NE 2.83Å; E333-R337 PolarHBondContact OE1-NE 3.07Å; E333-R337 IonicContact OE1-NH2 3.47Å; E333-R337 IonicContact OE2-CZ 3.26Å; E333-R337 IonicContact OE2-NE 3.52Å; E333-R337 IonicContact OE2-NH2 3.58Å; E333-R337 PolarHBondContact OE2-NH2 2.92Å; L334-R337 VanDerWaalsContact CD1-NH2 3.32Å; L334-R337 PolarHBondContact O-N 3.07Å; S335-R337 VanDerWaalsContact C-N 3.34Å; S335-R337 PolarHBondContact O-N 3.01Å; R337-W339 VanDerWaalsContact C-N 3.35Å; R337-W339 PolarHBondContact O-N 3.2Å; R337-Q340 PolarHBondContact O-N 3.19Å; R337-C341 WeakPolarHBondContact O-CB 3.33Å; R337-C341 PolarHBondContact O-N 2.86Å; R337-C341 PolarHBondContact O-SG 2.96Å; R337-W384 HydrophobicContact CB-CD2 4.37Å; R337-W384 HydrophobicContact CB-CE3 4.28Å; R337-W384 HydrophobicContact CB-CH2 3.68Å; R337-W384 HydrophobicContact CB-CZ2 3.75Å; R337-W384 HydrophobicContact CB-CZ3 3.92Å; R337-W384 VanDerWaalsContact CD-CH2 3.48Å; R337-W384 HydrophobicContact CG-CH2 3.44Å; R337-W384 VanDerWaalsContact CG-CH2 3.44Å; R337-W384 HydrophobicContact CG-CZ2 3.75Å; R337-W384 HydrophobicContact CG-CZ3 4.03Å
338	V	98.5	Very high	97.1	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-55.2	-51.9	180	167.5	0	0	0	0	110.5	I244 I317 L334 C341 G342 G343 L345	I244-V338 HydrophobicContact CD1-CG2 3.51Å; I244-V338 HydrophobicContact CG1-CG2 4.04Å; I317-V338 HydrophobicContact CD1-CG2 3.79Å; L334-V338 HydrophobicContact CD1-CG2 3.81Å; L334-V338 HydrophobicContact CG-CG2 4.34Å; L334-V338 WeakPolarHBondContact O-CB 3.29Å; L334-V338 WeakPolarHBondContact O-CG2 3.14Å; L334-V338 PolarHBondContact O-N 3.3Å; V338-C341 PolarHBondContact O-N 3.05Å; V338-G342 PolarHBondContact O-N 3.45Å; V338-G343 WeakPolarHBondContact O-CA 3.33Å; V338-G343 PolarHBondContact O-N 2.97Å; V338-L345 HydrophobicContact CG1-CB 4.41Å
339	W	98.7	Very high	97.6	Very high	14 Å²	14	7.5 Å²	7.5	5%	0.053	5%	0.053	C	C	.	.	H	α-helix	trans	-66.2	-47.4	-179.8	-80.2	119.2	0	0	0	113.4	R298 T299 S335 R337 C341 G342 E344 L345 W424 Y425 I429	R298-W339 HydrophobicContact CB-CH2 4Å; R298-W339 HydrophobicContact CB-CZ2 4.05Å; R298-W339 HydrophobicContact CG-CH2 4.02Å; R298-W339 HydrophobicContact CG-CZ2 4.49Å; T299-W339 PolarHBondContact O-NE1 2.98Å; S335-W339 PolarHBondContact O-N 3.36Å; R337-W339 VanDerWaalsContact C-N 3.35Å; R337-W339 PolarHBondContact O-N 3.2Å; W339-C341 VanDerWaalsContact C-N 3.25Å; W339-C341 PolarHBondContact O-N 3.04Å; W339-G342 PolarHBondContact O-N 2.04Å; W339-E344 HydrophobicContact CH2-CB 4.2Å; W339-E344 HydrophobicContact CH2-CG 4.39Å; W339-E344 HydrophobicContact CZ3-CB 4.27Å; W339-E344 HydrophobicContact CZ3-CG 4.13Å; W339-L345 HydrophobicContact CZ2-CB 4.25Å; W339-L345 WeakPolarHBondContact CZ2-O 3.28Å; W339-W424 WeakPolarHBondContact O-CZ3 3.09Å; W339-Y425 HydrophobicContact CB-CD2 3.75Å; W339-Y425 HydrophobicContact CB-CE2 3.91Å; W339-Y425 AromaticContact CD1-CE2 3.78Å; W339-Y425 HydrophobicContact CG-CD2 4.3Å; W339-Y425 HydrophobicContact CG-CE2 4.04Å; W339-I429 HydrophobicContact CB-CG1 4.11Å; W339-I429 HydrophobicContact CB-CG2 4.46Å; W339-I429 HydrophobicContact CD2-CB 4.46Å; W339-I429 HydrophobicContact CD2-CD1 3.79Å; W339-I429 HydrophobicContact CD2-CG1 3.98Å; W339-I429 HydrophobicContact CD2-CG2 3.65Å; W339-I429 HydrophobicContact CE3-CD1 3.33Å; W339-I429 HydrophobicContact CE3-CG1 4.01Å; W339-I429 HydrophobicContact CE3-CG2 4.33Å; W339-I429 HydrophobicContact CG-CB 4.47Å; W339-I429 HydrophobicContact CG-CD1 4.39Å; W339-I429 HydrophobicContact CG-CG1 4.07Å; W339-I429 HydrophobicContact CG-CG2 3.71Å; W339-I429 HydrophobicContact CH2-CD1 4.44Å; W339-I429 HydrophobicContact CZ2-CG2 4.23Å; W339-I429 HydrophobicContact CZ3-CD1 3.71Å
340	Q	98.7	Very high	97.9	Very high	1 Å²	1	7.8 Å²	7.8	1%	0.005	6%	0.055	C	C	.	.	H	α-helix	trans	-66.1	-29.5	-178.5	-73	178.6	83.1	0	0	112.2	F336 R337 W384 C419 K420 S421	F336-Q340 VanDerWaalsContact O-CB 3.24Å; F336-Q340 WeakPolarHBondContact O-CB 3.44Å; F336-Q340 VanDerWaalsContact O-CG 3.25Å; F336-Q340 WeakPolarHBondContact O-CG 3.47Å; F336-Q340 PolarHBondContact O-N 3.22Å; F336-Q340 PolarHBondContact O-NE2 3.24Å; R337-Q340 PolarHBondContact O-N 3.19Å; Q340-W384 PolarHBondContact NE2-O 3.17Å; Q340-W384 PolarHBondContact OE1-O 2.87Å; Q340-C419 HydrophobicContact CB-CB 4.19Å; Q340-C419 CarbonylContact O-C 3.49Å; Q340-C419 WeakPolarHBondContact O-CA 3.26Å; Q340-K420 PolarHBondContact O-N 3.25Å; Q340-K420 PolarHBondContact OE1-O 3.14Å; Q340-S421 VanDerWaalsContact OE1-C 3.28Å
341	C	98.5	Very high	98.1	Very high	19 Å²	19	7.8 Å²	7.8	13%	0.128	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	21.2	-177.2	-48.6	0	0	0	0	113.2	R337 V338 W339 L417 C419	R337-C341 WeakPolarHBondContact O-CB 3.33Å; R337-C341 PolarHBondContact O-N 2.86Å; R337-C341 PolarHBondContact O-SG 2.96Å; V338-C341 PolarHBondContact O-N 3.05Å; W339-C341 VanDerWaalsContact C-N 3.25Å; W339-C341 PolarHBondContact O-N 3.04Å; C341-L417 HydrophobicContact CB-CB 4.37Å; C341-L417 HydrophobicContact CB-CD1 4.4Å; C341-C419 HydrophobicContact CB-CB 4.07Å; C341-C419 WeakPolarHBondContact CB-SG 3.49Å; C341-C419 WeakPolarHBondContact SG-CB 3.37Å; C341-C419 CovalentContact SG-SG 2.03Å; C341-C419 PolarHBondContact SG-SG 2.9Å
342	G	97.9	Very high	98.2	Very high	52 Å²	52	8 Å²	8	54%	0.536	6%	0.055	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.9	15.6	167.9	0	0	0	0	0	116.2	V338 W339	V338-G342 PolarHBondContact O-N 3.45Å; W339-G342 PolarHBondContact O-N 2.04Å
343	G	98.6	Very high	98.3	Very high	4 Å²	4	8 Å²	8	4%	0.041	6%	0.055	C	C	.	.			trans	-91.2	-177.4	167	0	0	0	0	0	113.1	K242 Y313 V338	K242-G343 CarbonylContact O-C 3.41Å; K242-G343 WeakPolarHBondContact O-CA 3.31Å; Y313-G343 VanDerWaalsContact OH-CA 3.31Å; Y313-G343 WeakPolarHBondContact OH-CA 3.31Å; V338-G343 WeakPolarHBondContact O-CA 3.33Å; V338-G343 PolarHBondContact O-N 2.97Å
344	E	98.6	Very high	98.3	Very high	28 Å²	28	7.9 Å²	7.9	13%	0.131	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	138.5	176.1	-63.5	-178.8	116.4	0	0	109.8	N240 K242 R243 I244 R298 W339 L346	N240-E344 PolarHBondContact ND2-OE2 2.89Å; N240-E344 VanDerWaalsContact ND2-OE2 3.08Å; K242-E344 PolarHBondContact O-N 2.89Å; R243-E344 WeakPolarHBondContact CA-O 3.49Å; R243-E344 HydrophobicContact CG-CB 3.91Å; R243-E344 IonicContact CZ-OE2 3.1Å; R243-E344 IonicContact NE-OE2 3.68Å; R243-E344 PolarHBondContact NE-OE2 3.27Å; R243-E344 IonicContact NH2-OE2 3.84Å; R243-E344 PolarHBondContact NH2-OE2 3.34Å; I244-E344 PolarHBondContact N-O 3.16Å; R298-E344 IonicContact CZ-OE1 3.74Å; R298-E344 IonicContact NE-OE1 3.74Å; R298-E344 IonicContact NH2-OE1 2.83Å; R298-E344 PolarHBondContact NH2-OE1 3.02Å; W339-E344 HydrophobicContact CH2-CB 4.2Å; W339-E344 HydrophobicContact CH2-CG 4.39Å; W339-E344 HydrophobicContact CZ3-CB 4.27Å; W339-E344 HydrophobicContact CZ3-CG 4.13Å; E344-L346 HydrophobicContact CB-CD2 4.48Å
345	L	98.8	Very high	98.3	Very high	1 Å²	1	8.8 Å²	8.8	1%	0.005	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	118.5	173.8	-176.1	64.3	0	0	0	109.2	I244 T299 M302 S335 V338 W339	I244-L345 HydrophobicContact CB-CD1 3.56Å; I244-L345 HydrophobicContact CG2-CD1 3.5Å; T299-L345 HydrophobicContact CG2-CB 4.3Å; T299-L345 HydrophobicContact CG2-CD2 3.79Å; T299-L345 HydrophobicContact CG2-CG 3.55Å; T299-L345 PolarHBondContact N-O 3.41Å; M302-L345 HydrophobicContact CB-CD1 4.25Å; M302-L345 HydrophobicContact CB-CD2 4.02Å; M302-L345 HydrophobicContact CG-CD1 4.18Å; M302-L345 HydrophobicContact CG-CD2 4.09Å; M302-L345 HydrophobicContact SD-CD1 3.82Å; S335-L345 WeakPolarHBondContact OG-CD2 3.19Å; V338-L345 HydrophobicContact CG1-CB 4.41Å; W339-L345 HydrophobicContact CZ2-CB 4.25Å; W339-L345 WeakPolarHBondContact CZ2-O 3.28Å
346	L	98.7	Very high	98.2	Very high	8 Å²	8	8.8 Å²	8.8	4%	0.042	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	145.1	-171.7	-56.8	-179	0	0	0	112.1	R243 I244 V245 C246 P296 L297 R298 E344	R243-L346 HydrophobicContact CG-CD1 4.11Å; I244-L346 PolarHBondContact O-N 3.04Å; V245-L346 HydrophobicContact CG1-CB 4.26Å; C246-L346 PolarHBondContact N-O 2.87Å; P296-L346 HydrophobicContact CB-CB 4.17Å; P296-L346 HydrophobicContact CB-CD1 4.23Å; L297-L346 CarbonylContact O-C 3.14Å; L297-L346 WeakPolarHBondContact O-CA 3.42Å; R298-L346 HydrophobicContact CG-CD2 3.85Å; E344-L346 HydrophobicContact CB-CD2 4.48Å
347	I	98.5	Very high	97.7	Very high	5 Å²	5	12.4 Å²	12.4	3%	0.026	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	117.7	160.5	-60.8	168.1	0	0	0	106.9	C246 I248 W267 W278 P296 L297 T299 P349	C246-I347 HydrophobicContact CB-CG1 4.35Å; C246-I347 WeakPolarHBondContact O-CA 3.41Å; I248-I347 HydrophobicContact CG1-CG2 4.17Å; W267-I347 HydrophobicContact CB-CD1 4.16Å; W278-I347 HydrophobicContact CH2-CD1 4.43Å; W278-I347 HydrophobicContact CZ3-CD1 3.85Å; P296-I347 CarbonylContact C-O 3.58Å; P296-I347 VanDerWaalsContact CA-O 3.27Å; P296-I347 WeakPolarHBondContact CA-O 3.24Å; L297-I347 HydrophobicContact CB-CB 4.33Å; L297-I347 PolarHBondContact N-O 2.87Å; L297-I347 PolarHBondContact O-N 3.43Å; T299-I347 HydrophobicContact CG2-CD1 3.97Å; T299-I347 HydrophobicContact CG2-CG1 3.75Å; I347-P349 WeakPolarHBondContact O-CD 3.39Å
348	D	98.1	Very high	97.1	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.005	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	112.9	179.9	175.5	6.8	0	0	0	110.3	T232 L233 H236 V245 C246 C350 S351	T232-D348 WeakPolarHBondContact CB-OD2 3.49Å; T232-D348 PolarHBondContact OG1-OD2 2.72Å; L233-D348 HydrophobicContact CD2-CB 4.02Å; H236-D348 IonicContact CD2-OD2 2.82Å; H236-D348 IonicContact NE2-OD1 3.01Å; H236-D348 IonicContact NE2-OD2 3.57Å; V245-D348 HydrophobicContact CG1-CB 3.84Å; C246-D348 PolarHBondContact O-N 3.2Å; D348-C350 PolarHBondContact O-N 3.09Å; D348-C350 WeakPolarHBondContact OD1-CB 3.47Å; D348-C350 PolarHBondContact OD1-N 3.27Å; D348-S351 PolarHBondContact O-N 3.49Å
349	P	97.3	Very high	96.2	Very high	7 Å²	7	23.2 Å²	23.2	5%	0.045	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	-14.8	-176.5	31.4	-38.3	0	0	0	113.8	I248 D264 H293 I347	I248-P349 HydrophobicContact CD1-CB 4.1Å; D264-P349 HydrophobicContact CB-CB 3.87Å; H293-P349 WeakPolarHBondContact O-CB 3.48Å; H293-P349 WeakPolarHBondContact O-CG 3.49Å; I347-P349 WeakPolarHBondContact O-CD 3.39Å
350	C	97.5	Very high	95.3	Very high	8 Å²	8	25.4 Å²	25.4	5%	0.054	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	-7.3	177.7	-61.9	0	0	0	0	113.5	R111 C115 T232 D348	R111-C350 WeakPolarHBondContact CD-O 3.37Å; R111-C350 WeakPolarHBondContact CG-O 3.38Å; C115-C350 VanDerWaalsContact CA-SG 3.57Å; C115-C350 HydrophobicContact CB-CB 3.5Å; C115-C350 WeakPolarHBondContact CB-SG 2.97Å; C115-C350 WeakPolarHBondContact SG-CA 3.26Å; C115-C350 WeakPolarHBondContact SG-CB 3.39Å; C115-C350 CovalentContact SG-SG 2.04Å; C115-C350 PolarHBondContact SG-SG 2.68Å; T232-C350 HydrophobicContact CG2-CB 3.79Å; D348-C350 PolarHBondContact O-N 3.09Å; D348-C350 WeakPolarHBondContact OD1-CB 3.47Å; D348-C350 PolarHBondContact OD1-N 3.27Å
351	S	98.1	Very high	94.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	126	174.5	178.6	0	0	0	0	110.3	W229 P247 I248 D348	W229-S351 WeakPolarHBondContact O-CB 3.12Å; W229-S351 PolarHBondContact O-OG 2.88Å; P247-S351 WeakPolarHBondContact CA-O 3.48Å; P247-S351 VanDerWaalsContact CB-OG 3.31Å; P247-S351 WeakPolarHBondContact CB-OG 3.26Å; I248-S351 PolarHBondContact N-O 2.93Å; D348-S351 PolarHBondContact O-N 3.49Å
352	R	98.1	Very high	93.2	Very high	17 Å²	17	29.2 Å²	29.2	6%	0.064	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	132.8	-178.9	-74.7	-175.6	173.5	-100.1	-1.3	111.5	T226 I248 D250 G262	T226-R352 HydrophobicContact CG2-CB 4.21Å; T226-R352 PolarHBondContact N-O 3.31Å; T226-R352 WeakPolarHBondContact OG1-CB 3.23Å; T226-R352 PolarHBondContact OG1-O 3.13Å; I248-R352 HydrophobicContact CB-CG 4.15Å; D250-R352 IonicContact OD1-CZ 2.72Å; D250-R352 IonicContact OD1-NH1 3.56Å; D250-R352 PolarHBondContact OD1-NH1 3.17Å; D250-R352 WeakPolarHBondContact OD2-CD 3.21Å; D250-R352 IonicContact OD2-NH1 2.85Å; D250-R352 PolarHBondContact OD2-NH1 2.93Å; G262-R352 PolarHBondContact O-NH1 2.98Å; G262-R352 PolarHBondContact O-NH2 3.17Å; G262-R352 VanDerWaalsContact O-NH2 3.13Å
353	V	98.6	Very high	92.1	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	122	176.1	-178.7	0	0	0	0	108.6	L219 C223 V225 W229 P247 I248 I249 D250 L306	L219-V353 HydrophobicContact CD2-CG1 4.34Å; C223-V353 HydrophobicContact CB-CG1 3.91Å; V225-V353 HydrophobicContact CB-CG2 4.35Å; V225-V353 HydrophobicContact CG1-CG1 3.91Å; V225-V353 HydrophobicContact CG1-CG2 3.93Å; W229-V353 HydrophobicContact CB-CG2 4.45Å; W229-V353 HydrophobicContact CE3-CG2 3.86Å; P247-V353 HydrophobicContact CB-CB 4.27Å; P247-V353 HydrophobicContact CB-CG2 3.76Å; P247-V353 HydrophobicContact CG-CB 4.03Å; P247-V353 HydrophobicContact CG-CG2 3.7Å; I248-V353 PolarHBondContact O-N 2.67Å; I249-V353 CarbonylContact C-O 3.59Å; I249-V353 WeakPolarHBondContact CA-O 3.46Å; D250-V353 PolarHBondContact N-O 3.29Å; L306-V353 HydrophobicContact CD1-CB 4.01Å; L306-V353 HydrophobicContact CD1-CG1 3.74Å
354	G	98.1	Very high	90.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	140.6	173.6	0	0	0	0	0	110.6	C223 E224 D250 Y259	C223-G354 CarbonylContact C-O 3.52Å; C223-G354 WeakPolarHBondContact CA-O 3.17Å; C223-G354 WeakPolarHBondContact CB-O 3.36Å; E224-G354 PolarHBondContact N-O 3.34Å; E224-G354 PolarHBondContact O-N 3.47Å; D250-G354 CarbonylContact O-C 3.5Å; D250-G354 WeakPolarHBondContact O-CA 3.27Å; Y259-G354 PolarHBondContact OH-N 3.12Å; Y259-G354 VanDerWaalsContact OH-N 3.13Å
355	H	98	Very high	89.4	Confident	19 Å²	19	35.1 Å²	35.1	9%	0.088	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	134.1	179.3	-176.7	-76.7	0	0	0	110.8	D220 H222 C223 I249 D250 I252 L306 F357	D220-H355 IonicContact OD2-CD2 3.49Å; D220-H355 IonicContact OD2-CE1 2.78Å; D220-H355 IonicContact OD2-NE2 3.89Å; D220-H355 PolarHBondContact OD2-NE2 3.1Å; H222-H355 AromaticContact CD2-CE1 3.62Å; H222-H355 AromaticContact CD2-NE2 3.68Å; H222-H355 AromaticContact NE2-CE1 3.32Å; H222-H355 PolarHBondContact NE2-CE1 2.87Å; H222-H355 VanDerWaalsContact NE2-CE1 3.32Å; H222-H355 AromaticContact NE2-NE2 3.31Å; H222-H355 PolarHBondContact NE2-NE2 3.29Å; C223-H355 VanDerWaalsContact SG-CD2 3.53Å; I249-H355 HydrophobicContact CG2-CB 3.51Å; D250-H355 PolarHBondContact O-N 3.36Å; I252-H355 PolarHBondContact N-O 3.33Å; L306-H355 HydrophobicContact CD1-CB 4.42Å; H355-F357 HydrophobicContact CB-CE2 4.2Å; H355-F357 WeakPolarHBondContact O-CD2 3.48Å; H355-F357 PolarHBondContact O-N 2.99Å
356	V	96.8	Very high	88	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.006	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	100.1	174.5	-176.3	0	0	0	0	110.4	F93 H222 I252 H254 F257 R358	F93-V356 HydrophobicContact CB-CG1 3.93Å; F93-V356 HydrophobicContact CD1-CG1 3.96Å; F93-V356 HydrophobicContact CG-CG1 4.16Å; H222-V356 HydrophobicContact CB-CB 4.2Å; H222-V356 HydrophobicContact CB-CG2 4.2Å; H222-V356 PolarHBondContact CD2-O 3.24Å; H222-V356 WeakPolarHBondContact O-CG2 3.32Å; H222-V356 PolarHBondContact O-N 3.08Å; H222-V356 VanDerWaalsContact O-N 3.13Å; I252-V356 HydrophobicContact CB-CG2 3.86Å; I252-V356 HydrophobicContact CD1-CG2 4.38Å; I252-V356 HydrophobicContact CG2-CG2 3.79Å; I252-V356 WeakPolarHBondContact O-CA 3.21Å; H254-V356 HydrophobicContact CB-CG1 4.08Å; F257-V356 HydrophobicContact CD1-CG2 4.49Å; F257-V356 HydrophobicContact CE1-CG2 3.8Å; F257-V356 HydrophobicContact CZ-CG2 4.24Å; V356-R358 PolarHBondContact O-N 2.63Å
357	F	87	Confident	86.7	Confident	75 Å²	75	42.2 Å²	42.2	33%	0.329	24%	0.239	S	C	.	.			trans	-76.7	108.5	175.2	-73	-85.4	0	0	0	111.4	I249 V251 H355	I249-F357 HydrophobicContact CB-CZ 4.48Å; I249-F357 HydrophobicContact CG2-CE2 3.88Å; I249-F357 HydrophobicContact CG2-CZ 3.68Å; V251-F357 HydrophobicContact CB-CD2 4.09Å; V251-F357 HydrophobicContact CB-CE2 4.32Å; V251-F357 HydrophobicContact CG1-CD2 4Å; V251-F357 HydrophobicContact CG2-CD2 3.71Å; V251-F357 HydrophobicContact CG2-CE2 3.66Å; H355-F357 HydrophobicContact CB-CE2 4.2Å; H355-F357 WeakPolarHBondContact O-CD2 3.48Å; H355-F357 PolarHBondContact O-N 2.99Å
358	R	86.3	Confident	85.9	Confident	52 Å²	52	43.6 Å²	43.6	20%	0.196	25%	0.254	C	S	.	.			trans	-83.9	150.8	175.9	-54	171	-165.9	-159.4	5	110.1	N91 E92 F93 E138 H222 V356 S360 P362	N91-R358 WeakPolarHBondContact O-CD 3.44Å; N91-R358 VanDerWaalsContact O-CZ 3.25Å; N91-R358 PolarHBondContact O-NE 3.44Å; N91-R358 PolarHBondContact O-NH1 3.02Å; E92-R358 HydrophobicContact CB-CB 4.07Å; E92-R358 HydrophobicContact CB-CG 4.23Å; F93-R358 HydrophobicContact CD1-CG 4.49Å; E138-R358 VanDerWaalsContact CD-NH2 3.28Å; E138-R358 IonicContact OE1-CZ 3.5Å; E138-R358 IonicContact OE1-NH2 2.83Å; E138-R358 PolarHBondContact OE1-NH2 3.02Å; E138-R358 IonicContact OE2-CZ 3.71Å; E138-R358 IonicContact OE2-NH2 3.95Å; E138-R358 PolarHBondContact OE2-NH2 3.44Å; H222-R358 PolarHBondContact CE1-NH2 2.85Å; H222-R358 VanDerWaalsContact CE1-NH2 3.3Å; H222-R358 PolarHBondContact ND1-NH2 2.78Å; V356-R358 PolarHBondContact O-N 2.63Å; R358-S360 VanDerWaalsContact CB-O 3.31Å; R358-S360 WeakPolarHBondContact CB-O 3.44Å; R358-P362 VanDerWaalsContact NH1-CG 3.32Å
359	K	80.5	Confident	85.2	Confident	175 Å²	175	46.9 Å²	46.9	76%	0.761	27%	0.274	S	S	*	.	S	Bend	trans	-77	-28.2	172.6	-69.6	179.6	177.2	170.2	0	112.6	H254	H254-K359 VanDerWaalsContact NE2-CE 3.32Å; H254-K359 WeakPolarHBondContact NE2-CE 3.48Å
360	S	77.8	Confident	84.7	Confident	61 Å²	61	49.9 Å²	49.9	43%	0.427	30%	0.295	S	S	.	.	S	Bend	trans	-140.9	153.2	-179.7	9.8	0	0	0	0	109.7	E92 R358	E92-S360 VanDerWaalsContact CB-O 3.31Å; E92-S360 WeakPolarHBondContact CB-O 3.21Å; E92-S360 WeakPolarHBondContact CG-O 3.23Å; E92-S360 PolarHBondContact OE2-OG 3.3Å; R358-S360 VanDerWaalsContact CB-O 3.31Å; R358-S360 WeakPolarHBondContact CB-O 3.44Å
361	S	77	Confident	84.2	Confident	53 Å²	53	53.2 Å²	53.2	37%	0.371	31%	0.31	S	S	.	.			trans	-77	134.7	166.8	-64.4	0	0	0	0	109.5	Y363	S361-Y363 PolarHBondContact O-N 2.92Å
362	P	76.5	Confident	83.8	Confident	47 Å²	47	53.3 Å²	53.3	31%	0.305	31%	0.31	S	S	.	.	S	Bend	trans	-73.1	-10.7	-178.9	30.5	-38	0	0	0	113.7	E92 R358	E92-P362 HydrophobicContact CG-CB 3.86Å; R358-P362 VanDerWaalsContact NH1-CG 3.32Å
363	Y	74.5	Confident	83.4	Confident	67 Å²	67	54.1 Å²	54.1	26%	0.263	32%	0.316	S	S	.	.	S	Bend	trans	-106.3	152.6	-170.3	53.4	-103.2	0	0	0	112.9	R197 I326 S361 W365	R197-Y363 VanDerWaalsContact NH2-CD2 3.29Å; I326-Y363 HydrophobicContact CG2-CE2 4.36Å; S361-Y363 PolarHBondContact O-N 2.92Å; Y363-W365 AromaticContact CE2-CE2 3.84Å; Y363-W365 AromaticContact CE2-CZ2 3.79Å; Y363-W365 HydrophobicContact CE2-CZ2 3.79Å; Y363-W365 AromaticContact CE2-NE1 3.86Å
364	T	72	Confident	83.2	Confident	106 Å²	106	55.4 Å²	55.4	65%	0.65	32%	0.321	S	S	*	.			trans	-78.7	150.4	-179.9	59.1	0	0	0	0	112.2	R197 P366	R197-T364 PolarHBondContact NH1-O 2.83Å; R197-T364 PolarHBondContact NH2-O 3.12Å; T364-P366 WeakPolarHBondContact O-CD 3.42Å
365	W	70.2	Confident	83	Confident	34 Å²	34	56.7 Å²	56.7	13%	0.129	33%	0.327	C	S	.	.			trans	-110.7	97.3	175.8	-64	76.4	0	0	0	108.4	I326 W327 Y363 G367 G368 V369 I372	I326-W365 HydrophobicContact CB-CE3 3.98Å; I326-W365 HydrophobicContact CB-CH2 4.37Å; I326-W365 HydrophobicContact CB-CZ3 3.65Å; I326-W365 HydrophobicContact CD1-CE3 4.06Å; I326-W365 HydrophobicContact CG2-CD2 4.37Å; I326-W365 HydrophobicContact CG2-CE3 3.81Å; I326-W365 HydrophobicContact CG2-CH2 3.82Å; I326-W365 HydrophobicContact CG2-CZ2 4.38Å; I326-W365 HydrophobicContact CG2-CZ3 3.51Å; W327-W365 HydrophobicContact CB-CH2 3.63Å; W327-W365 HydrophobicContact CB-CZ2 4.49Å; W327-W365 HydrophobicContact CB-CZ3 4.33Å; W327-W365 HydrophobicContact CD2-CH2 4.11Å; W327-W365 AromaticContact CE3-CH2 3.57Å; W327-W365 HydrophobicContact CE3-CH2 3.57Å; W327-W365 HydrophobicContact CE3-CZ2 4.05Å; W327-W365 HydrophobicContact CG-CH2 4.18Å; W327-W365 WeakPolarHBondContact O-CH2 3.33Å; W327-W365 WeakPolarHBondContact O-CZ3 3.24Å; Y363-W365 AromaticContact CE2-CE2 3.84Å; Y363-W365 AromaticContact CE2-CZ2 3.79Å; Y363-W365 HydrophobicContact CE2-CZ2 3.79Å; Y363-W365 AromaticContact CE2-NE1 3.86Å; W365-G367 PolarHBondContact O-N 3.18Å; W365-G368 PolarHBondContact O-N 3.16Å; W365-V369 HydrophobicContact CB-CG2 4.13Å; W365-V369 HydrophobicContact CD2-CG2 4.06Å; W365-V369 HydrophobicContact CG-CG2 3.67Å; W365-I372 HydrophobicContact CB-CD1 4.22Å; W365-I372 HydrophobicContact CE3-CB 4.16Å; W365-I372 HydrophobicContact CE3-CD1 3.71Å; W365-I372 HydrophobicContact CE3-CG2 3.98Å; W365-I372 HydrophobicContact CZ3-CB 4.39Å; W365-I372 HydrophobicContact CZ3-CG2 3.77Å
366	P	67.8	Low	82.9	Confident	91 Å²	91	55.8 Å²	55.8	59%	0.591	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	123	175.1	-23.2	33.3	0	0	0	110.2	T364 I372	T364-P366 WeakPolarHBondContact O-CD 3.42Å; P366-I372 WeakPolarHBondContact O-CD1 3.37Å
367	G	71.9	Confident	82.9	Confident	68 Å²	68	56.5 Å²	56.5	70%	0.701	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.3	-5.4	-175	0	0	0	0	0	115.7	W365 H371	W365-G367 PolarHBondContact O-N 3.18Å; G367-H371 WeakPolarHBondContact O-CB 3.31Å
368	G	81.6	Confident	83.3	Confident	34 Å²	34	53 Å²	53	35%	0.351	31%	0.31	S	S	.	.			trans	88	149.8	176	0	0	0	0	0	114.3	W365 S370 H371 I372	W365-G368 PolarHBondContact O-N 3.16Å; G368-S370 PolarHBondContact O-N 3.4Å; G368-H371 PolarHBondContact O-N 3.41Å; G368-I372 PolarHBondContact O-N 3.29Å
369	V	84.4	Confident	83.8	Confident	70 Å²	70	50.6 Å²	50.6	42%	0.424	30%	0.302	S	S	.	.	H	α-helix	trans	-58.7	-45	-174.5	179.7	0	0	0	0	111.9	W365 H371 I372 L373	W365-V369 HydrophobicContact CB-CG2 4.13Å; W365-V369 HydrophobicContact CD2-CG2 4.06Å; W365-V369 HydrophobicContact CG-CG2 3.67Å; V369-H371 PolarHBondContact O-N 2.91Å; V369-I372 PolarHBondContact O-N 3.5Å; V369-L373 HydrophobicContact CG1-CD1 3.66Å; V369-L373 HydrophobicContact CG1-CG 4.09Å; V369-L373 WeakPolarHBondContact O-CB 3.48Å; V369-L373 WeakPolarHBondContact O-CG 3.47Å; V369-L373 PolarHBondContact O-N 3.22Å
370	S	85.7	Confident	84.6	Confident	69 Å²	69	42.3 Å²	42.3	48%	0.483	27%	0.265	S	S	.	.	H	α-helix	trans	-63.8	-40.6	-177	173.9	0	0	0	0	112.8	G368 I372 H374	G368-S370 PolarHBondContact O-N 3.4Å; S370-I372 PolarHBondContact O-N 3.16Å; S370-H374 VanDerWaalsContact O-CB 3.25Å; S370-H374 WeakPolarHBondContact O-CB 3.32Å; S370-H374 PolarHBondContact O-N 2.97Å; S370-H374 PolarHBondContact OG-CE1 3.37Å; S370-H374 VanDerWaalsContact OG-CE1 3.25Å
371	H	88	Confident	85.5	Confident	79 Å²	79	39.4 Å²	39.4	37%	0.366	25%	0.245	S	C	.	.	H	α-helix	trans	-61	-46.5	178	175.9	-88.8	0	0	0	111.4	G367 G368 V369 K375	G367-H371 WeakPolarHBondContact O-CB 3.31Å; G368-H371 PolarHBondContact O-N 3.41Å; V369-H371 PolarHBondContact O-N 2.91Å; H371-K375 WeakPolarHBondContact O-CB 3.17Å; H371-K375 PolarHBondContact O-N 2.81Å
372	I	89	Confident	86.4	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-68.6	-45.5	-178.5	-69.6	169	0	0	0	111.4	E325 I326 W365 P366 G368 V369 S370 H374 K375 N376	E325-I372 HydrophobicContact CB-CG2 4.07Å; E325-I372 VanDerWaalsContact O-CG2 3.3Å; E325-I372 WeakPolarHBondContact O-CG2 3.34Å; I326-I372 HydrophobicContact CB-CG2 4.42Å; I326-I372 HydrophobicContact CD1-CD1 3.58Å; I326-I372 HydrophobicContact CG1-CD1 4.15Å; W365-I372 HydrophobicContact CB-CD1 4.22Å; W365-I372 HydrophobicContact CE3-CB 4.16Å; W365-I372 HydrophobicContact CE3-CD1 3.71Å; W365-I372 HydrophobicContact CE3-CG2 3.98Å; W365-I372 HydrophobicContact CZ3-CB 4.39Å; W365-I372 HydrophobicContact CZ3-CG2 3.77Å; P366-I372 WeakPolarHBondContact O-CD1 3.37Å; G368-I372 PolarHBondContact O-N 3.29Å; V369-I372 PolarHBondContact O-N 3.5Å; S370-I372 PolarHBondContact O-N 3.16Å; I372-H374 PolarHBondContact O-N 3.31Å; I372-K375 PolarHBondContact O-N 3.01Å; I372-N376 PolarHBondContact O-N 3.47Å
373	L	90.7	Very high	87.4	Confident	35 Å²	35	37.1 Å²	37.1	18%	0.183	23%	0.226	C	C	.	.	H	α-helix	trans	-61	-46.2	176	-71.8	-179.8	0	0	0	111.2	W327 V369 K375 N376 F377	W327-L373 HydrophobicContact CE3-CD2 4.41Å; W327-L373 HydrophobicContact CZ3-CD2 4.38Å; V369-L373 HydrophobicContact CG1-CD1 3.66Å; V369-L373 HydrophobicContact CG1-CG 4.09Å; V369-L373 WeakPolarHBondContact O-CB 3.48Å; V369-L373 WeakPolarHBondContact O-CG 3.47Å; V369-L373 PolarHBondContact O-N 3.22Å; L373-K375 VanDerWaalsContact C-N 3.34Å; L373-K375 PolarHBondContact O-N 3.06Å; L373-N376 PolarHBondContact O-N 3.3Å; L373-F377 HydrophobicContact CB-CD2 4.18Å; L373-F377 HydrophobicContact CB-CE2 3.96Å; L373-F377 HydrophobicContact CD2-CE2 4.36Å; L373-F377 HydrophobicContact CD2-CZ 4.27Å; L373-F377 VanDerWaalsContact O-CB 3.25Å; L373-F377 WeakPolarHBondContact O-CB 3.48Å; L373-F377 VanDerWaalsContact O-CD2 3.25Å; L373-F377 WeakPolarHBondContact O-CD2 3.44Å; L373-F377 WeakPolarHBondContact O-CG 3.37Å; L373-F377 PolarHBondContact O-N 3.05Å
374	H	93.6	Very high	88.6	Confident	26 Å²	26	34 Å²	34	12%	0.12	21%	0.214	C	C	.	.	H	α-helix	trans	-60.1	-44.3	177	-73.4	176.2	0	0	0	111.7	S370 I372 N376 F377 V378 Y392 A399 V402	S370-H374 VanDerWaalsContact O-CB 3.25Å; S370-H374 WeakPolarHBondContact O-CB 3.32Å; S370-H374 PolarHBondContact O-N 2.97Å; S370-H374 PolarHBondContact OG-CE1 3.37Å; S370-H374 VanDerWaalsContact OG-CE1 3.25Å; I372-H374 PolarHBondContact O-N 3.31Å; H374-N376 PolarHBondContact O-N 3.48Å; H374-F377 PolarHBondContact O-N 3.29Å; H374-V378 VanDerWaalsContact O-CB 3.3Å; H374-V378 WeakPolarHBondContact O-CB 3.34Å; H374-V378 WeakPolarHBondContact O-CG2 3.1Å; H374-V378 PolarHBondContact O-N 3.39Å; H374-Y392 PolarHBondContact CD2-OH 3.49Å; H374-A399 HydrophobicContact CB-CB 4.15Å; H374-V402 HydrophobicContact CB-CB 4.4Å; H374-V402 HydrophobicContact CB-CG1 4.46Å; H374-V402 HydrophobicContact CB-CG2 3.79Å
375	K	94.4	Very high	89.7	Confident	28 Å²	28	29 Å²	29	12%	0.122	18%	0.183	C	C	.	.	H	α-helix	trans	-54.4	-53.4	175.6	168.3	165.8	-178.8	167.8	0	111.1	D323 E325 H371 I372 L373 V378 R379 V402	D323-K375 VanDerWaalsContact O-CE 3.3Å; D323-K375 WeakPolarHBondContact O-CE 3.47Å; E325-K375 HydrophobicContact CG-CD 4.31Å; E325-K375 IonicContact OE1-NZ 3.33Å; E325-K375 PolarHBondContact OE1-NZ 2.93Å; H371-K375 WeakPolarHBondContact O-CB 3.17Å; H371-K375 PolarHBondContact O-N 2.81Å; I372-K375 PolarHBondContact O-N 3.01Å; L373-K375 VanDerWaalsContact C-N 3.34Å; L373-K375 PolarHBondContact O-N 3.06Å; K375-V378 PolarHBondContact O-N 3Å; K375-R379 WeakPolarHBondContact O-CG 3.31Å; K375-R379 PolarHBondContact O-N 3.2Å; K375-V402 HydrophobicContact CB-CG1 3.85Å
376	N	95.3	Very high	90.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-65.3	-44.4	-177.4	-64.4	-11.2	0	0	0	111.6	M324 E325 G328 I372 L373 H374 R379 T380	M324-N376 VanDerWaalsContact CA-OD1 3.27Å; M324-N376 WeakPolarHBondContact CA-OD1 3.42Å; M324-N376 WeakPolarHBondContact CB-OD1 3.27Å; M324-N376 HydrophobicContact CG-CB 4.05Å; M324-N376 HydrophobicContact SD-CB 4.39Å; E325-N376 PolarHBondContact N-OD1 2.75Å; E325-N376 PolarHBondContact O-ND2 2.96Å; G328-N376 WeakPolarHBondContact O-CB 3.4Å; G328-N376 PolarHBondContact O-ND2 3.34Å; I372-N376 PolarHBondContact O-N 3.47Å; L373-N376 PolarHBondContact O-N 3.3Å; H374-N376 PolarHBondContact O-N 3.48Å; N376-R379 PolarHBondContact O-N 3.18Å; N376-T380 PolarHBondContact O-N 3.3Å; N376-T380 PolarHBondContact O-OG1 2.93Å; N376-T380 VanDerWaalsContact O-OG1 3.13Å
377	F	96.3	Very high	92.2	Very high	15 Å²	15	30 Å²	30	7%	0.066	18%	0.183	C	C	.	.	H	α-helix	trans	-66.9	-36.8	179.5	-70	-27.4	0	0	0	113.8	F274 G329 L373 H374 R379 T380 A381 Y392	F274-F377 HydrophobicContact CB-CD1 3.82Å; F274-F377 HydrophobicContact CB-CE1 3.66Å; F274-F377 HydrophobicContact CB-CE2 4.5Å; F274-F377 HydrophobicContact CB-CG 4.31Å; F274-F377 HydrophobicContact CB-CZ 4.03Å; F274-F377 HydrophobicContact CD2-CB 3.71Å; F274-F377 AromaticContact CD2-CD1 3.71Å; F274-F377 HydrophobicContact CD2-CD1 3.71Å; F274-F377 HydrophobicContact CD2-CD2 4.49Å; F274-F377 HydrophobicContact CD2-CE1 4.43Å; F274-F377 AromaticContact CD2-CG 3.74Å; F274-F377 HydrophobicContact CD2-CG 3.74Å; F274-F377 HydrophobicContact CE2-CB 4.15Å; F274-F377 HydrophobicContact CG-CD1 4.28Å; G329-F377 VanDerWaalsContact CA-CE1 3.46Å; L373-F377 HydrophobicContact CB-CD2 4.18Å; L373-F377 HydrophobicContact CB-CE2 3.96Å; L373-F377 HydrophobicContact CD2-CE2 4.36Å; L373-F377 HydrophobicContact CD2-CZ 4.27Å; L373-F377 VanDerWaalsContact O-CB 3.25Å; L373-F377 WeakPolarHBondContact O-CB 3.48Å; L373-F377 VanDerWaalsContact O-CD2 3.25Å; L373-F377 WeakPolarHBondContact O-CD2 3.44Å; L373-F377 WeakPolarHBondContact O-CG 3.37Å; L373-F377 PolarHBondContact O-N 3.05Å; H374-F377 PolarHBondContact O-N 3.29Å; F377-R379 VanDerWaalsContact C-N 3.35Å; F377-T380 PolarHBondContact O-N 3.47Å; F377-A381 WeakPolarHBondContact O-CB 3.46Å; F377-A381 PolarHBondContact O-N 3.26Å; F377-Y392 HydrophobicContact CB-CE1 4.16Å; F377-Y392 HydrophobicContact CB-CE2 3.63Å; F377-Y392 VanDerWaalsContact CB-CZ 3.42Å; F377-Y392 VanDerWaalsContact CB-OH 3.26Å; F377-Y392 WeakPolarHBondContact CB-OH 3.37Å; F377-Y392 AromaticContact CD2-CE2 3.9Å; F377-Y392 HydrophobicContact CD2-CE2 3.9Å; F377-Y392 HydrophobicContact CG-CE2 4.08Å
378	V	96.2	Very high	93.3	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.006	15%	0.15	C	C	.	.	H	α-helix	trans	-62.7	-44.1	173.9	169.4	0	0	0	0	110.4	H374 K375 T380 A381 L382 Y392 F393 A399 Y404	H374-V378 VanDerWaalsContact O-CB 3.3Å; H374-V378 WeakPolarHBondContact O-CB 3.34Å; H374-V378 WeakPolarHBondContact O-CG2 3.1Å; H374-V378 PolarHBondContact O-N 3.39Å; K375-V378 PolarHBondContact O-N 3Å; V378-T380 VanDerWaalsContact C-N 3.33Å; V378-T380 PolarHBondContact O-N 3.35Å; V378-A381 PolarHBondContact O-N 3.32Å; V378-L382 HydrophobicContact CG1-CD1 3.72Å; V378-L382 HydrophobicContact CG1-CG 4.19Å; V378-L382 WeakPolarHBondContact O-CB 3.44Å; V378-L382 VanDerWaalsContact O-CG 3.28Å; V378-L382 WeakPolarHBondContact O-CG 3.25Å; V378-L382 PolarHBondContact O-N 2.96Å; V378-Y392 HydrophobicContact CG2-CE1 3.86Å; V378-F393 HydrophobicContact CB-CE1 4.47Å; V378-F393 HydrophobicContact CG1-CE1 4.06Å; V378-F393 HydrophobicContact CG1-CZ 4.08Å; V378-F393 HydrophobicContact CG2-CE1 3.86Å; V378-F393 HydrophobicContact CG2-CZ 4.49Å; V378-A399 HydrophobicContact CG2-CB 3.76Å; V378-Y404 HydrophobicContact CB-CG 4.4Å; V378-Y404 HydrophobicContact CG1-CD1 3.44Å; V378-Y404 VanDerWaalsContact CG1-CD1 3.44Å; V378-Y404 HydrophobicContact CG1-CD2 4.14Å; V378-Y404 HydrophobicContact CG1-CE1 4.03Å; V378-Y404 HydrophobicContact CG1-CG 3.5Å
379	R	96.8	Very high	93.9	Very high	3 Å²	3	25.9 Å²	25.9	1%	0.011	14%	0.138	C	C	.	.	H	α-helix	trans	-59.1	-46.1	174.9	-65.5	179.8	67.3	83.8	-1.8	111.2	D321 D323 K375 N376 F377 V383 Y404 D406 V407	D321-R379 IonicContact OD1-CZ 3.72Å; D321-R379 IonicContact OD1-NH2 2.76Å; D321-R379 PolarHBondContact OD1-NH2 3.39Å; D321-R379 VanDerWaalsContact OD1-NH2 3.1Å; D321-R379 IonicContact OD2-CZ 3.12Å; D321-R379 IonicContact OD2-NE 3.75Å; D321-R379 PolarHBondContact OD2-NE 2.03Å; D321-R379 IonicContact OD2-NH2 3Å; D321-R379 PolarHBondContact OD2-NH2 2.8Å; D323-R379 VanDerWaalsContact CB-NH2 3.31Å; D323-R379 IonicContact OD2-CZ 3.58Å; D323-R379 IonicContact OD2-NH1 2.86Å; D323-R379 IonicContact OD2-NH2 3.95Å; D323-R379 PolarHBondContact OD2-NH2 3.33Å; K375-R379 WeakPolarHBondContact O-CG 3.31Å; K375-R379 PolarHBondContact O-N 3.2Å; N376-R379 PolarHBondContact O-N 3.18Å; F377-R379 VanDerWaalsContact C-N 3.35Å; R379-V383 VanDerWaalsContact O-CG2 3.24Å; R379-V383 WeakPolarHBondContact O-CG2 3.12Å; R379-V383 PolarHBondContact O-N 3.1Å; R379-Y404 WeakPolarHBondContact CD-O 3.3Å; R379-Y404 HydrophobicContact CG-CD2 4.42Å; R379-Y404 WeakPolarHBondContact CG-O 3.43Å; R379-Y404 PolarHBondContact NH1-O 3.08Å; R379-D406 PolarHBondContact NH1-O 2.88Å; R379-D406 PolarHBondContact NH2-O 2.71Å; R379-V407 HydrophobicContact CB-CG1 4.15Å; R379-V407 HydrophobicContact CG-CG1 3.93Å
380	T	97.3	Very high	94.3	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-59.2	-49.7	175.6	-58.7	0	0	0	0	111.8	M324 E333 F336 N376 F377 V378 L382 V383 W384 L385	M324-T380 WeakPolarHBondContact CE-OG1 3.44Å; E333-T380 HydrophobicContact CB-CG2 3.94Å; E333-T380 WeakPolarHBondContact CB-OG1 3.24Å; E333-T380 HydrophobicContact CG-CG2 4.27Å; F336-T380 HydrophobicContact CD2-CG2 4.07Å; F336-T380 HydrophobicContact CE2-CG2 4.24Å; N376-T380 PolarHBondContact O-N 3.3Å; N376-T380 PolarHBondContact O-OG1 2.93Å; N376-T380 VanDerWaalsContact O-OG1 3.13Å; F377-T380 PolarHBondContact O-N 3.47Å; V378-T380 VanDerWaalsContact C-N 3.33Å; V378-T380 PolarHBondContact O-N 3.35Å; T380-L382 PolarHBondContact O-N 3.21Å; T380-V383 PolarHBondContact O-N 3.48Å; T380-W384 WeakPolarHBondContact O-CB 3.14Å; T380-W384 PolarHBondContact O-N 3.06Å; T380-L385 HydrophobicContact CG2-CD1 4.37Å
381	A	96.6	Very high	94.7	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-58.1	-49.6	-179.4	0	0	0	0	0	112	F274 F377 V378 V383 L385 Y392 F393	F274-A381 HydrophobicContact CE2-CB 4.05Å; F274-A381 HydrophobicContact CZ-CB 4.17Å; F377-A381 WeakPolarHBondContact O-CB 3.46Å; F377-A381 PolarHBondContact O-N 3.26Å; V378-A381 PolarHBondContact O-N 3.32Å; A381-V383 VanDerWaalsContact C-N 3.27Å; A381-V383 PolarHBondContact O-N 3.34Å; A381-L385 PolarHBondContact O-N 3.31Å; A381-Y392 HydrophobicContact CB-CD1 4.21Å; A381-F393 HydrophobicContact CB-CE2 4.17Å; A381-F393 HydrophobicContact CB-CZ 4.34Å
382	L	96.1	Very high	95	Very high	49 Å²	49	16.8 Å²	16.8	26%	0.257	8%	0.083	S	C	.	.	H	α-helix	trans	-68.3	-24.8	-176.3	-69.9	176.5	0	0	0	113.9	V378 T380 F393 Y404 V407 K411	V378-L382 HydrophobicContact CG1-CD1 3.72Å; V378-L382 HydrophobicContact CG1-CG 4.19Å; V378-L382 WeakPolarHBondContact O-CB 3.44Å; V378-L382 VanDerWaalsContact O-CG 3.28Å; V378-L382 WeakPolarHBondContact O-CG 3.25Å; V378-L382 PolarHBondContact O-N 2.96Å; T380-L382 PolarHBondContact O-N 3.21Å; L382-F393 HydrophobicContact CD2-CE2 3.94Å; L382-F393 HydrophobicContact CD2-CZ 3.78Å; L382-F393 HydrophobicContact CG-CE2 4.46Å; L382-F393 HydrophobicContact CG-CZ 3.98Å; L382-Y404 HydrophobicContact CD1-CD2 3.94Å; L382-Y404 HydrophobicContact CD1-CE1 4.06Å; L382-Y404 HydrophobicContact CD1-CE2 3.41Å; L382-Y404 VanDerWaalsContact CD1-CE2 3.41Å; L382-Y404 HydrophobicContact CD1-CG 4.48Å; L382-Y404 VanDerWaalsContact CD1-CZ 3.48Å; L382-V407 HydrophobicContact CB-CG2 4.44Å; L382-K411 VanDerWaalsContact O-CE 3.25Å; L382-K411 WeakPolarHBondContact O-CE 3.11Å
383	V	97.7	Very high	95.2	Very high	3 Å²	3	17.1 Å²	17.1	2%	0.018	8%	0.084	C	C	.	.	H	α-helix	trans	-95.3	-39.7	-178	179.8	0	0	0	0	111.5	R379 T380 A381 V407 R410 K411 R414	R379-V383 VanDerWaalsContact O-CG2 3.24Å; R379-V383 WeakPolarHBondContact O-CG2 3.12Å; R379-V383 PolarHBondContact O-N 3.1Å; T380-V383 PolarHBondContact O-N 3.48Å; A381-V383 VanDerWaalsContact C-N 3.27Å; A381-V383 PolarHBondContact O-N 3.34Å; V383-V407 HydrophobicContact CG2-CB 3.87Å; V383-V407 HydrophobicContact CG2-CG1 4.31Å; V383-V407 HydrophobicContact CG2-CG2 4.46Å; V383-R410 HydrophobicContact CB-CB 4.45Å; V383-R410 HydrophobicContact CG1-CB 3.95Å; V383-R410 HydrophobicContact CG2-CB 3.65Å; V383-K411 HydrophobicContact CG2-CG 4.24Å; V383-R414 WeakPolarHBondContact O-CD 3.17Å; V383-R414 PolarHBondContact O-NH1 3Å
384	W	97.9	Very high	95.3	Very high	2 Å²	2	17.4 Å²	17.4	1%	0.008	9%	0.085	C	C	.	.	H	α-helix	trans	-116.8	-11.3	-161.6	-63.2	107.1	0	0	0	116.2	E333 F336 R337 Q340 T380 R414 C419 F422	E333-W384 VanDerWaalsContact OE1-CE2 3.32Å; E333-W384 PolarHBondContact OE1-NE1 3.01Å; F336-W384 HydrophobicContact CB-CB 4.29Å; F336-W384 HydrophobicContact CD2-CB 4.22Å; R337-W384 HydrophobicContact CB-CD2 4.37Å; R337-W384 HydrophobicContact CB-CE3 4.28Å; R337-W384 HydrophobicContact CB-CH2 3.68Å; R337-W384 HydrophobicContact CB-CZ2 3.75Å; R337-W384 HydrophobicContact CB-CZ3 3.92Å; R337-W384 VanDerWaalsContact CD-CH2 3.48Å; R337-W384 HydrophobicContact CG-CH2 3.44Å; R337-W384 VanDerWaalsContact CG-CH2 3.44Å; R337-W384 HydrophobicContact CG-CZ2 3.75Å; R337-W384 HydrophobicContact CG-CZ3 4.03Å; Q340-W384 PolarHBondContact NE2-O 3.17Å; Q340-W384 PolarHBondContact OE1-O 2.87Å; T380-W384 WeakPolarHBondContact O-CB 3.14Å; T380-W384 PolarHBondContact O-N 3.06Å; W384-R414 HydrophobicContact CE3-CG 4.17Å; W384-R414 HydrophobicContact CH2-CB 3.85Å; W384-R414 HydrophobicContact CH2-CG 3.92Å; W384-R414 HydrophobicContact CZ2-CB 4.46Å; W384-R414 HydrophobicContact CZ3-CB 4.07Å; W384-R414 HydrophobicContact CZ3-CG 3.58Å; W384-C419 HydrophobicContact CZ3-CB 4.31Å; W384-F422 WeakPolarHBondContact O-CB 3.35Å; W384-F422 WeakPolarHBondContact O-CD2 3.13Å
385	L	96.6	Very high	95.2	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.005	8%	0.082	C	C	.	.			trans	-105	-5.2	-172.5	-81.9	67.4	0	0	0	114.6	F274 F336 T380 A381 Q387 Y388 F422	F274-L385 HydrophobicContact CE1-CD2 3.47Å; F274-L385 VanDerWaalsContact CE1-CD2 3.47Å; F274-L385 HydrophobicContact CE2-CD2 4.43Å; F274-L385 HydrophobicContact CZ-CD1 4.42Å; F274-L385 HydrophobicContact CZ-CD2 3.25Å; F274-L385 HydrophobicContact CZ-CG 4.45Å; F336-L385 HydrophobicContact CD2-CD1 3.79Å; F336-L385 HydrophobicContact CE2-CD1 3.61Å; F336-L385 HydrophobicContact CE2-CG 4.49Å; T380-L385 HydrophobicContact CG2-CD1 4.37Å; A381-L385 PolarHBondContact O-N 3.31Å; L385-Q387 PolarHBondContact O-N 3.26Å; L385-Y388 WeakPolarHBondContact O-CA 3.43Å; L385-Y388 VanDerWaalsContact O-CB 3.32Å; L385-Y388 WeakPolarHBondContact O-CB 3.42Å; L385-Y388 PolarHBondContact O-N 3.41Å; L385-F422 HydrophobicContact CB-CG 4.4Å; L385-F422 HydrophobicContact CD1-CD2 4.42Å; L385-F422 HydrophobicContact CD1-CE2 4.28Å; L385-F422 HydrophobicContact CG-CD1 4.32Å; L385-F422 HydrophobicContact CG-CD2 4.12Å; L385-F422 HydrophobicContact CG-CE1 4.21Å; L385-F422 HydrophobicContact CG-CE2 4.02Å; L385-F422 HydrophobicContact CG-CG 4.26Å; L385-F422 HydrophobicContact CG-CZ 4.05Å
386	D	95.7	Very high	95	Very high	64 Å²	64	16.3 Å²	16.3	34%	0.342	8%	0.081	S	C	.	.	G	3₁₀ helix	trans	51.4	-131.9	-175.4	-53.8	-42.9	0	0	0	110.4	Y388 S389 R414 S421 F422	D386-Y388 PolarHBondContact O-N 3.49Å; D386-S389 WeakPolarHBondContact O-CB 3.39Å; D386-S389 PolarHBondContact O-N 2.76Å; D386-S389 PolarHBondContact O-OG 3.24Å; D386-R414 VanDerWaalsContact CG-NH2 3.35Å; D386-R414 IonicContact OD1-CZ 3.12Å; D386-R414 VanDerWaalsContact OD1-CZ 3.25Å; D386-R414 IonicContact OD1-NH1 2.79Å; D386-R414 PolarHBondContact OD1-NH1 3.11Å; D386-R414 IonicContact OD1-NH2 2.67Å; D386-R414 PolarHBondContact OD1-NH2 3.43Å; D386-R414 IonicContact OD2-NH2 2.83Å; D386-R414 PolarHBondContact OD2-NH2 3.17Å; D386-S421 WeakPolarHBondContact OD2-CA 3.12Å; D386-S421 WeakPolarHBondContact OD2-CB 3.25Å; D386-F422 PolarHBondContact OD2-N 2.79Å
387	Q	93.8	Very high	94.7	Very high	81 Å²	81	18.6 Å²	18.6	38%	0.379	10%	0.096	S	C	.	.	G	3₁₀ helix	trans	-65.2	-20.8	175.5	62	-173	32.2	0	0	114.5	L385 S389 R390 F566 N567	L385-Q387 PolarHBondContact O-N 3.26Å; Q387-S389 PolarHBondContact O-N 2.85Å; Q387-R390 WeakPolarHBondContact O-CG 3.47Å; Q387-R390 PolarHBondContact O-N 3.47Å; Q387-F566 HydrophobicContact CB-CE1 4.19Å; Q387-F566 HydrophobicContact CB-CZ 4.22Å; Q387-F566 HydrophobicContact CG-CE1 3.65Å; Q387-F566 HydrophobicContact CG-CZ 3.97Å; Q387-F566 WeakPolarHBondContact O-CZ 3.47Å; Q387-N567 PolarHBondContact NE2-OD1 3.05Å; Q387-N567 PolarHBondContact OE1-OD1 2.69Å
388	Y	95.5	Very high	94.3	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.008	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-73.6	-10.3	179.1	-61.8	-92	0	0	0	113.2	L385 D386 R390 F391 F422 R423 L426 I435 I437 V439 F566	L385-Y388 WeakPolarHBondContact O-CA 3.43Å; L385-Y388 VanDerWaalsContact O-CB 3.32Å; L385-Y388 WeakPolarHBondContact O-CB 3.42Å; L385-Y388 PolarHBondContact O-N 3.41Å; D386-Y388 PolarHBondContact O-N 3.49Å; Y388-R390 PolarHBondContact O-N 2.73Å; Y388-R390 VanDerWaalsContact O-N 3.11Å; Y388-F391 HydrophobicContact CD1-CD2 4.36Å; Y388-F391 HydrophobicContact CD1-CE2 4.03Å; Y388-F391 PolarHBondContact O-N 3.37Å; Y388-F391 VanDerWaalsContact O-N 3.08Å; Y388-F422 HydrophobicContact CD2-CB 4.32Å; Y388-F422 AromaticContact CD2-CD1 3.67Å; Y388-F422 HydrophobicContact CD2-CD1 3.67Å; Y388-F422 HydrophobicContact CD2-CG 4.48Å; Y388-F422 HydrophobicContact CE2-CD1 4.45Å; Y388-F422 AromaticContact CG-CD1 3.71Å; Y388-F422 HydrophobicContact CG-CD1 3.71Å; Y388-F422 HydrophobicContact CG-CE1 4.21Å; Y388-R423 HydrophobicContact CE2-CB 3.95Å; Y388-L426 HydrophobicContact CD1-CD1 4.08Å; Y388-L426 HydrophobicContact CE1-CD1 3.84Å; Y388-L426 HydrophobicContact CE2-CD1 4.48Å; Y388-L426 HydrophobicContact CG-CD1 4.49Å; Y388-I435 HydrophobicContact CD1-CG2 3.65Å; Y388-I435 HydrophobicContact CE1-CG2 4.23Å; Y388-I437 PolarHBondContact OH-O 2.91Å; Y388-V439 HydrophobicContact CE1-CG1 4.01Å; Y388-F566 HydrophobicContact CD1-CE1 4.44Å; Y388-F566 AromaticContact CD1-CZ 3.97Å; Y388-F566 HydrophobicContact CD1-CZ 3.97Å; Y388-F566 HydrophobicContact CE1-CE1 4.37Å; Y388-F566 HydrophobicContact CE1-CZ 4.34Å; Y388-F566 HydrophobicContact CG-CZ 4.23Å
389	S	94.7	Very high	94	Very high	15 Å²	15	21.7 Å²	21.7	11%	0.105	12%	0.12	C	C	.	.	H	α-helix	trans	-55	-27.2	170	58	0	0	0	0	112.4	D386 Q387 F391 Y392 F393	D386-S389 WeakPolarHBondContact O-CB 3.39Å; D386-S389 PolarHBondContact O-N 2.76Å; D386-S389 PolarHBondContact O-OG 3.24Å; Q387-S389 PolarHBondContact O-N 2.85Å; S389-F391 PolarHBondContact O-N 2.85Å; S389-Y392 PolarHBondContact O-N 3.04Å; S389-Y392 VanDerWaalsContact O-N 3.11Å; S389-F393 WeakPolarHBondContact O-CD2 3.27Å; S389-F393 PolarHBondContact O-N 2.72Å
390	R	92.9	Very high	93.5	Very high	22 Å²	22	25.2 Å²	25.2	8%	0.083	14%	0.139	C	C	.	.	H	α-helix	trans	-54.6	-35.2	174.7	-66.8	-179.6	69	154.4	10.3	113.5	Q387 Y388 Y392 F393 M394 L442 F566 D568 L573	Q387-R390 WeakPolarHBondContact O-CG 3.47Å; Q387-R390 PolarHBondContact O-N 3.47Å; Y388-R390 PolarHBondContact O-N 2.73Å; Y388-R390 VanDerWaalsContact O-N 3.11Å; R390-Y392 VanDerWaalsContact C-N 3.34Å; R390-Y392 PolarHBondContact O-N 3.27Å; R390-F393 PolarHBondContact O-N 3.11Å; R390-M394 VanDerWaalsContact O-CB 3.27Å; R390-M394 WeakPolarHBondContact O-CB 3.42Å; R390-M394 WeakPolarHBondContact O-CG 3.39Å; R390-M394 PolarHBondContact O-N 3.41Å; R390-L442 HydrophobicContact CB-CD2 3.89Å; R390-F566 HydrophobicContact CB-CE2 4.15Å; R390-F566 PolarHBondContact NH1-O 3.18Å; R390-D568 PolarHBondContact NH1-O 2.81Å; R390-L573 HydrophobicContact CG-CD1 4.48Å; R390-L573 HydrophobicContact CG-CD2 4.26Å
391	F	94.1	Very high	93.1	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.009	17%	0.174	C	C	.	.	H	α-helix	trans	-57.9	-49.9	176.6	-79.9	-97	0	0	0	110.8	W272 Y388 S389 L395 I435 P436 V439 L442 A479 F566	W272-F391 AromaticContact CD2-CD1 3.63Å; W272-F391 HydrophobicContact CD2-CD1 3.63Å; W272-F391 HydrophobicContact CD2-CE1 4.14Å; W272-F391 AromaticContact CE2-CD1 3.77Å; W272-F391 AromaticContact CE2-CE1 3.82Å; W272-F391 AromaticContact CE3-CD1 3.72Å; W272-F391 HydrophobicContact CE3-CD1 3.72Å; W272-F391 HydrophobicContact CE3-CE1 4.24Å; W272-F391 HydrophobicContact CG-CD1 4.18Å; W272-F391 HydrophobicContact CH2-CD1 4.09Å; W272-F391 AromaticContact CH2-CE1 3.74Å; W272-F391 HydrophobicContact CH2-CE1 3.74Å; W272-F391 HydrophobicContact CZ2-CD1 4.02Å; W272-F391 AromaticContact CZ2-CE1 3.64Å; W272-F391 HydrophobicContact CZ2-CE1 3.64Å; W272-F391 AromaticContact CZ3-CD1 3.94Å; W272-F391 HydrophobicContact CZ3-CD1 3.94Å; W272-F391 HydrophobicContact CZ3-CE1 4.04Å; Y388-F391 HydrophobicContact CD1-CD2 4.36Å; Y388-F391 HydrophobicContact CD1-CE2 4.03Å; Y388-F391 PolarHBondContact O-N 3.37Å; Y388-F391 VanDerWaalsContact O-N 3.08Å; S389-F391 PolarHBondContact O-N 2.85Å; F391-L395 WeakPolarHBondContact O-CB 3.49Å; F391-L395 WeakPolarHBondContact O-CD1 3.49Å; F391-L395 PolarHBondContact O-N 3.04Å; F391-I435 HydrophobicContact CD2-CG2 4.13Å; F391-I435 HydrophobicContact CE1-CG2 4.46Å; F391-I435 HydrophobicContact CE2-CG2 3.95Å; F391-I435 HydrophobicContact CG-CG2 4.47Å; F391-I435 HydrophobicContact CZ-CG2 4.12Å; F391-P436 HydrophobicContact CE1-CG 4.45Å; F391-P436 HydrophobicContact CZ-CG 4.07Å; F391-V439 HydrophobicContact CE2-CG1 4.18Å; F391-V439 HydrophobicContact CE2-CG2 4.44Å; F391-V439 HydrophobicContact CZ-CB 4.27Å; F391-V439 HydrophobicContact CZ-CG1 4.34Å; F391-V439 HydrophobicContact CZ-CG2 4.02Å; F391-L442 HydrophobicContact CD1-CD1 3.91Å; F391-L442 HydrophobicContact CD1-CD2 4.36Å; F391-L442 HydrophobicContact CD2-CD2 3.92Å; F391-L442 HydrophobicContact CE1-CD1 3.61Å; F391-L442 HydrophobicContact CE2-CD1 4.42Å; F391-L442 HydrophobicContact CE2-CD2 4.06Å; F391-L442 HydrophobicContact CG-CD1 4.45Å; F391-L442 HydrophobicContact CG-CD2 4.08Å; F391-L442 HydrophobicContact CZ-CD1 3.89Å; F391-L442 HydrophobicContact CZ-CD2 4.36Å; F391-A479 HydrophobicContact CE1-CB 3.88Å; F391-A479 HydrophobicContact CZ-CB 4.07Å; F391-F566 HydrophobicContact CD2-CE2 4.07Å; F391-F566 HydrophobicContact CD2-CZ 4.49Å; F391-F566 HydrophobicContact CE2-CD2 4.44Å; F391-F566 AromaticContact CE2-CE2 3.7Å; F391-F566 HydrophobicContact CE2-CE2 3.7Å; F391-F566 HydrophobicContact CE2-CZ 4.06Å
392	Y	94.2	Very high	92.8	Very high	2 Å²	2	31 Å²	31	1%	0.008	18%	0.178	C	C	.	.	H	α-helix	trans	-63.4	-47.8	-179.4	175.8	-96.7	0	0	0	112.3	F274 H374 F377 V378 A381 S389 R390 L395 N396 A399	F274-Y392 AromaticContact CD2-CD2 3.61Å; F274-Y392 HydrophobicContact CD2-CD2 3.61Å; F274-Y392 AromaticContact CD2-CE2 3.89Å; F274-Y392 HydrophobicContact CD2-CE2 3.89Å; F274-Y392 HydrophobicContact CD2-CG 4.25Å; F274-Y392 HydrophobicContact CE1-CD2 4.4Å; F274-Y392 HydrophobicContact CE2-CD1 4.19Å; F274-Y392 AromaticContact CE2-CD2 3.33Å; F274-Y392 HydrophobicContact CE2-CD2 3.33Å; F274-Y392 AromaticContact CE2-CE2 3.93Å; F274-Y392 HydrophobicContact CE2-CE2 3.93Å; F274-Y392 AromaticContact CE2-CG 3.5Å; F274-Y392 HydrophobicContact CE2-CG 3.5Å; F274-Y392 HydrophobicContact CG-CD2 4.25Å; F274-Y392 VanDerWaalsContact CZ-CB 3.49Å; F274-Y392 AromaticContact CZ-CD2 3.75Å; F274-Y392 HydrophobicContact CZ-CD2 3.75Å; F274-Y392 AromaticContact CZ-CG 3.7Å; F274-Y392 HydrophobicContact CZ-CG 3.7Å; H374-Y392 PolarHBondContact CD2-OH 3.49Å; F377-Y392 HydrophobicContact CB-CE1 4.16Å; F377-Y392 HydrophobicContact CB-CE2 3.63Å; F377-Y392 VanDerWaalsContact CB-CZ 3.42Å; F377-Y392 VanDerWaalsContact CB-OH 3.26Å; F377-Y392 WeakPolarHBondContact CB-OH 3.37Å; F377-Y392 AromaticContact CD2-CE2 3.9Å; F377-Y392 HydrophobicContact CD2-CE2 3.9Å; F377-Y392 HydrophobicContact CG-CE2 4.08Å; V378-Y392 HydrophobicContact CG2-CE1 3.86Å; A381-Y392 HydrophobicContact CB-CD1 4.21Å; S389-Y392 PolarHBondContact O-N 3.04Å; S389-Y392 VanDerWaalsContact O-N 3.11Å; R390-Y392 VanDerWaalsContact C-N 3.34Å; R390-Y392 PolarHBondContact O-N 3.27Å; Y392-L395 PolarHBondContact O-N 2.77Å; Y392-N396 WeakPolarHBondContact CE2-ND2 3.49Å; Y392-N396 PolarHBondContact O-N 3.01Å; Y392-N396 PolarHBondContact O-ND2 2.77Å; Y392-A399 HydrophobicContact CE1-CB 3.8Å
393	F	93.3	Very high	92.6	Very high	8 Å²	8	34.4 Å²	34.4	4%	0.035	20%	0.197	C	C	.	.	H	α-helix	trans	-67.9	-36.7	-177.8	-70.5	-66.2	0	0	0	113.1	V378 A381 L382 S389 R390 L395 N396 P397 L400 L573	V378-F393 HydrophobicContact CB-CE1 4.47Å; V378-F393 HydrophobicContact CG1-CE1 4.06Å; V378-F393 HydrophobicContact CG1-CZ 4.08Å; V378-F393 HydrophobicContact CG2-CE1 3.86Å; V378-F393 HydrophobicContact CG2-CZ 4.49Å; A381-F393 HydrophobicContact CB-CE2 4.17Å; A381-F393 HydrophobicContact CB-CZ 4.34Å; L382-F393 HydrophobicContact CD2-CE2 3.94Å; L382-F393 HydrophobicContact CD2-CZ 3.78Å; L382-F393 HydrophobicContact CG-CE2 4.46Å; L382-F393 HydrophobicContact CG-CZ 3.98Å; S389-F393 WeakPolarHBondContact O-CD2 3.27Å; S389-F393 PolarHBondContact O-N 2.72Å; R390-F393 PolarHBondContact O-N 3.11Å; F393-L395 VanDerWaalsContact C-N 3.34Å; F393-N396 CarbonylContact O-C 3.54Å; F393-N396 VanDerWaalsContact O-C 3.22Å; F393-N396 PolarHBondContact O-N 2.66Å; F393-P397 WeakPolarHBondContact O-CA 3.13Å; F393-L400 HydrophobicContact CB-CD2 4.44Å; F393-L400 HydrophobicContact CD1-CD2 3.47Å; F393-L400 VanDerWaalsContact CD1-CD2 3.47Å; F393-L400 HydrophobicContact CD1-CG 4.05Å; F393-L400 HydrophobicContact CE1-CD2 3.87Å; F393-L400 HydrophobicContact CG-CD2 4.11Å; F393-L573 HydrophobicContact CB-CD1 4.18Å; F393-L573 HydrophobicContact CB-CD2 3.72Å; F393-L573 HydrophobicContact CB-CG 4.47Å; F393-L573 HydrophobicContact CD2-CD1 3.52Å; F393-L573 HydrophobicContact CE2-CD1 4.12Å; F393-L573 HydrophobicContact CG-CD1 4.02Å; F393-L573 HydrophobicContact CG-CD2 4.46Å
394	M	91.8	Very high	92.4	Very high	41 Å²	41	38.3 Å²	38.3	20%	0.202	21%	0.212	C	C	.	.	H	α-helix	trans	-70.9	-32.5	176	-67.7	-176.9	75.6	0	0	111.7	R390 L442 G473 G474 V477 L573	R390-M394 VanDerWaalsContact O-CB 3.27Å; R390-M394 WeakPolarHBondContact O-CB 3.42Å; R390-M394 WeakPolarHBondContact O-CG 3.39Å; R390-M394 PolarHBondContact O-N 3.41Å; M394-L442 HydrophobicContact CE-CG 4.41Å; M394-L442 HydrophobicContact SD-CB 4.35Å; M394-L442 HydrophobicContact SD-CD2 3.57Å; M394-L442 VanDerWaalsContact SD-CD2 3.57Å; M394-L442 HydrophobicContact SD-CG 3.63Å; M394-G473 VanDerWaalsContact O-CA 3.27Å; M394-G473 WeakPolarHBondContact O-CA 3.41Å; M394-G474 PolarHBondContact O-N 3.13Å; M394-G474 VanDerWaalsContact O-N 3.16Å; M394-V477 HydrophobicContact CB-CG1 4.01Å; M394-V477 HydrophobicContact CB-CG2 3.82Å; M394-V477 WeakPolarHBondContact O-CG2 3.32Å; M394-L573 HydrophobicContact CG-CD2 4.44Å
395	L	91.3	Very high	92.3	Very high	12 Å²	12	40 Å²	40	6%	0.063	23%	0.229	C	C	.	.	H	α-helix	trans	-74.3	-32.1	174.6	-93.9	74	0	0	0	112.4	W272 Q273 F391 Y392 F393 V477 H489	W272-L395 HydrophobicContact CB-CD1 4.47Å; W272-L395 HydrophobicContact CB-CD2 3.53Å; W272-L395 HydrophobicContact CE3-CD1 3.63Å; W272-L395 HydrophobicContact CE3-CD2 4.13Å; W272-L395 HydrophobicContact CG-CD2 4.49Å; W272-L395 HydrophobicContact CZ3-CD1 4.31Å; Q273-L395 HydrophobicContact CG-CB 4.48Å; Q273-L395 HydrophobicContact CG-CD2 3.66Å; F391-L395 WeakPolarHBondContact O-CB 3.49Å; F391-L395 WeakPolarHBondContact O-CD1 3.49Å; F391-L395 PolarHBondContact O-N 3.04Å; Y392-L395 PolarHBondContact O-N 2.77Å; F393-L395 VanDerWaalsContact C-N 3.34Å; L395-V477 HydrophobicContact CD1-CB 3.73Å; L395-V477 HydrophobicContact CD1-CG1 3.69Å; L395-V477 HydrophobicContact CD1-CG2 4.06Å; L395-H489 HydrophobicContact CD2-CB 4.06Å
396	N	91.1	Very high	92.2	Very high	20 Å²	20	44.6 Å²	44.6	11%	0.107	25%	0.254	C	S	.	.			trans	-126.2	69	-176.2	-50.7	-77.4	0	0	0	111.3	Q273 Y392 F393 S398 A399	Q273-N396 PolarHBondContact NE2-OD1 2.83Å; Y392-N396 WeakPolarHBondContact CE2-ND2 3.49Å; Y392-N396 PolarHBondContact O-N 3.01Å; Y392-N396 PolarHBondContact O-ND2 2.77Å; F393-N396 CarbonylContact O-C 3.54Å; F393-N396 VanDerWaalsContact O-C 3.22Å; F393-N396 PolarHBondContact O-N 2.66Å; N396-S398 PolarHBondContact O-N 2.88Å; N396-S398 VanDerWaalsContact O-N 3.14Å; N396-A399 HydrophobicContact CB-CB 4.14Å; N396-A399 WeakPolarHBondContact O-CB 3.24Å; N396-A399 PolarHBondContact O-N 3.1Å
397	P	88.9	Confident	92.3	Very high	48 Å²	48	42 Å²	42	31%	0.312	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-58.9	-30.5	-178.8	-27.5	37.5	0	0	0	113.5	F393 A399 L400 Q472	F393-P397 WeakPolarHBondContact O-CA 3.13Å; P397-A399 PolarHBondContact O-N 2.94Å; P397-A399 VanDerWaalsContact O-N 3.13Å; P397-L400 WeakPolarHBondContact O-CB 3.48Å; P397-L400 PolarHBondContact O-N 2.61Å; P397-Q472 VanDerWaalsContact CG-O 3.27Å; P397-Q472 WeakPolarHBondContact CG-O 3.36Å
398	S	87.8	Confident	92.5	Very high	81 Å²	81	42.2 Å²	42.2	57%	0.566	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-58.3	-25.5	174.4	-51.3	0	0	0	0	112.9	N396 L400 S401	N396-S398 PolarHBondContact O-N 2.88Å; N396-S398 VanDerWaalsContact O-N 3.14Å; S398-L400 PolarHBondContact O-N 3.23Å; S398-S401 PolarHBondContact O-N 3.06Å; S398-S401 PolarHBondContact O-OG 2.99Å
399	A	90.1	Very high	92.6	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-65.3	-22.7	176.9	0	0	0	0	0	112.8	H374 V378 Y392 N396 P397 S401 V402	H374-A399 HydrophobicContact CB-CB 4.15Å; V378-A399 HydrophobicContact CG2-CB 3.76Å; Y392-A399 HydrophobicContact CE1-CB 3.8Å; N396-A399 HydrophobicContact CB-CB 4.14Å; N396-A399 WeakPolarHBondContact O-CB 3.24Å; N396-A399 PolarHBondContact O-N 3.1Å; P397-A399 PolarHBondContact O-N 2.94Å; P397-A399 VanDerWaalsContact O-N 3.13Å; A399-S401 VanDerWaalsContact C-N 3.25Å; A399-S401 PolarHBondContact O-N 3.38Å; A399-V402 PolarHBondContact O-N 3.13Å
400	L	86.8	Confident	92.7	Very high	77 Å²	77	50.4 Å²	50.4	40%	0.403	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-68.4	-24.2	176.3	-65.4	166	0	0	0	113	F393 P397 S398 L573	F393-L400 HydrophobicContact CB-CD2 4.44Å; F393-L400 HydrophobicContact CD1-CD2 3.47Å; F393-L400 VanDerWaalsContact CD1-CD2 3.47Å; F393-L400 HydrophobicContact CD1-CG 4.05Å; F393-L400 HydrophobicContact CE1-CD2 3.87Å; F393-L400 HydrophobicContact CG-CD2 4.11Å; P397-L400 WeakPolarHBondContact O-CB 3.48Å; P397-L400 PolarHBondContact O-N 2.61Å; S398-L400 PolarHBondContact O-N 3.23Å; L400-L573 WeakPolarHBondContact CD1-OXT 3.2Å; L400-L573 HydrophobicContact CD2-CB 4.2Å
401	S	88.6	Confident	93	Very high	106 Å²	106	53.6 Å²	53.6	74%	0.741	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-86	-4.9	177.5	67.1	0	0	0	0	114.3	S398 A399	S398-S401 PolarHBondContact O-N 3.06Å; S398-S401 PolarHBondContact O-OG 2.99Å; A399-S401 VanDerWaalsContact C-N 3.25Å; A399-S401 PolarHBondContact O-N 3.38Å
402	V	90	Very high	93.2	Very high	15 Å²	15	59.2 Å²	59.2	9%	0.091	32%	0.319	C	S	.	.	S	Bend	trans	-84.3	133.1	-175.9	175.8	0	0	0	0	110.3	H374 K375 A399 Y404	H374-V402 HydrophobicContact CB-CB 4.4Å; H374-V402 HydrophobicContact CB-CG1 4.46Å; H374-V402 HydrophobicContact CB-CG2 3.79Å; K375-V402 HydrophobicContact CB-CG1 3.85Å; A399-V402 PolarHBondContact O-N 3.13Å; V402-Y404 WeakPolarHBondContact O-CD1 3.43Å; V402-Y404 PolarHBondContact O-N 3.26Å; V402-Y404 VanDerWaalsContact O-N 3.12Å
403	D	92.1	Very high	93.4	Very high	121 Å²	121	60.5 Å²	60.5	65%	0.647	33%	0.326	S	S	*	.			trans	-72.5	103.1	169.6	-179.6	12.5	0	0	0	110.2	G405	D403-G405 PolarHBondContact OD1-N 2.82Å
404	Y	93.4	Very high	93.6	Very high	85 Å²	85	61.7 Å²	61.7	33%	0.333	33%	0.33	S	S	.	.			trans	-96	-1.1	179.6	64.9	-94.5	0	0	0	113.4	V378 R379 L382 V402 V407	V378-Y404 HydrophobicContact CB-CG 4.4Å; V378-Y404 HydrophobicContact CG1-CD1 3.44Å; V378-Y404 VanDerWaalsContact CG1-CD1 3.44Å; V378-Y404 HydrophobicContact CG1-CD2 4.14Å; V378-Y404 HydrophobicContact CG1-CE1 4.03Å; V378-Y404 HydrophobicContact CG1-CG 3.5Å; R379-Y404 WeakPolarHBondContact CD-O 3.3Å; R379-Y404 HydrophobicContact CG-CD2 4.42Å; R379-Y404 WeakPolarHBondContact CG-O 3.43Å; R379-Y404 PolarHBondContact NH1-O 3.08Å; L382-Y404 HydrophobicContact CD1-CD2 3.94Å; L382-Y404 HydrophobicContact CD1-CE1 4.06Å; L382-Y404 HydrophobicContact CD1-CE2 3.41Å; L382-Y404 VanDerWaalsContact CD1-CE2 3.41Å; L382-Y404 HydrophobicContact CD1-CG 4.48Å; L382-Y404 VanDerWaalsContact CD1-CZ 3.48Å; V402-Y404 WeakPolarHBondContact O-CD1 3.43Å; V402-Y404 PolarHBondContact O-N 3.26Å; V402-Y404 VanDerWaalsContact O-N 3.12Å; Y404-V407 HydrophobicContact CD2-CG1 3.99Å; Y404-V407 HydrophobicContact CE2-CG1 4.18Å; Y404-V407 HydrophobicContact CE2-CG2 4.47Å
405	G	94.6	Very high	93.9	Very high	36 Å²	36	66.4 Å²	66.4	37%	0.371	35%	0.352	S	S	.	.			trans	67.1	-168	-176.8	0	0	0	0	0	114.9	D403	D403-G405 PolarHBondContact OD1-N 2.82Å
406	D	95.8	Very high	94.2	Very high	99 Å²	99	71.7 Å²	71.7	53%	0.529	38%	0.376	S	S	.	.			trans	-82.4	130.9	-179.9	-176.7	14.7	0	0	0	111.6	R379 T408	R379-D406 PolarHBondContact NH1-O 2.88Å; R379-D406 PolarHBondContact NH2-O 2.71Å; D406-T408 WeakPolarHBondContact OD1-CB 3.3Å; D406-T408 PolarHBondContact OD1-N 3.06Å; D406-T408 PolarHBondContact OD1-OG1 3.42Å
407	V	97.3	Very high	94.6	Very high	8 Å²	8	72.9 Å²	72.9	5%	0.048	38%	0.382	C	S	.	.			trans	-107.2	5.1	176.4	-63.4	0	0	0	0	113	R379 L382 V383 Y404 K409 R410 K411	R379-V407 HydrophobicContact CB-CG1 4.15Å; R379-V407 HydrophobicContact CG-CG1 3.93Å; L382-V407 HydrophobicContact CB-CG2 4.44Å; V383-V407 HydrophobicContact CG2-CB 3.87Å; V383-V407 HydrophobicContact CG2-CG1 4.31Å; V383-V407 HydrophobicContact CG2-CG2 4.46Å; Y404-V407 HydrophobicContact CD2-CG1 3.99Å; Y404-V407 HydrophobicContact CE2-CG1 4.18Å; Y404-V407 HydrophobicContact CE2-CG2 4.47Å; V407-K409 VanDerWaalsContact C-N 3.3Å; V407-K409 PolarHBondContact O-N 3.14Å; V407-R410 PolarHBondContact O-N 3.19Å; V407-R410 VanDerWaalsContact O-N 3.07Å; V407-K411 HydrophobicContact CG2-CD 4.25Å; V407-K411 PolarHBondContact O-N 2.95Å
408	T	98.1	Very high	95	Very high	86 Å²	86	77.4 Å²	77.4	53%	0.528	40%	0.404	S	S	.	.	H	α-helix	trans	-57.5	-41.4	-176.4	-61	0	0	0	0	112.1	D406 R410 K411 K412	D406-T408 WeakPolarHBondContact OD1-CB 3.3Å; D406-T408 PolarHBondContact OD1-N 3.06Å; D406-T408 PolarHBondContact OD1-OG1 3.42Å; T408-R410 VanDerWaalsContact C-N 3.34Å; T408-R410 PolarHBondContact O-N 3.35Å; T408-K411 PolarHBondContact O-N 3.18Å; T408-K412 WeakPolarHBondContact O-CB 3.38Å; T408-K412 PolarHBondContact O-N 3.11Å
409	K	97.4	Very high	95.5	Very high	162 Å²	162	74.6 Å²	74.6	70%	0.704	38%	0.384	S	S	*	.	H	α-helix	trans	-59.9	-43.4	176.1	-67.9	-178.7	-177.1	172.5	0	112	V407 K412 L413	V407-K409 VanDerWaalsContact C-N 3.3Å; V407-K409 PolarHBondContact O-N 3.14Å; K409-K412 PolarHBondContact O-N 3.23Å; K409-L413 WeakPolarHBondContact O-CB 3.45Å; K409-L413 PolarHBondContact O-N 3.39Å
410	R	97.9	Very high	95.9	Very high	27 Å²	27	79.2 Å²	79.2	10%	0.102	40%	0.404	C	S	.	.	H	α-helix	trans	-69	-40.7	179.4	-68.1	-75	160.5	-162.5	-15.6	111.9	G318 Y320 D321 V383 V407 T408 L413 R414	G318-R410 PolarHBondContact O-NH1 3.15Å; G318-R410 PolarHBondContact O-NH2 3.18Å; Y320-R410 PolarHBondContact O-NH2 3.13Å; D321-R410 VanDerWaalsContact CA-CZ 3.46Å; D321-R410 VanDerWaalsContact CA-NH2 3.28Å; D321-R410 IonicContact OD1-CZ 3.82Å; D321-R410 IonicContact OD1-NE 3.96Å; D321-R410 PolarHBondContact OD1-NE 3.37Å; D321-R410 IonicContact OD1-NH2 2.75Å; D321-R410 IonicContact OD2-NE 3.98Å; V383-R410 HydrophobicContact CB-CB 4.45Å; V383-R410 HydrophobicContact CG1-CB 3.95Å; V383-R410 HydrophobicContact CG2-CB 3.65Å; V407-R410 PolarHBondContact O-N 3.19Å; V407-R410 VanDerWaalsContact O-N 3.07Å; T408-R410 VanDerWaalsContact C-N 3.34Å; T408-R410 PolarHBondContact O-N 3.35Å; R410-L413 WeakPolarHBondContact O-CB 3.24Å; R410-L413 PolarHBondContact O-N 3.38Å; R410-R414 PolarHBondContact O-N 3.19Å
411	K	98.2	Very high	96.5	Very high	90 Å²	90	78 Å²	78	39%	0.391	40%	0.402	S	S	.	.	H	α-helix	trans	-61.9	-43.6	172.7	-70.5	-176.9	174.7	-179.6	0	112.2	L382 V383 V407 T408 R414 Q415	L382-K411 VanDerWaalsContact O-CE 3.25Å; L382-K411 WeakPolarHBondContact O-CE 3.11Å; V383-K411 HydrophobicContact CG2-CG 4.24Å; V407-K411 HydrophobicContact CG2-CD 4.25Å; V407-K411 PolarHBondContact O-N 2.95Å; T408-K411 PolarHBondContact O-N 3.18Å; K411-R414 PolarHBondContact O-N 3.08Å; K411-Q415 WeakPolarHBondContact O-CG 3.27Å; K411-Q415 PolarHBondContact O-N 3.46Å
412	K	98.2	Very high	96.9	Very high	119 Å²	119	73 Å²	73	52%	0.517	37%	0.367	S	S	.	.	H	α-helix	trans	-62.8	-42.6	176.5	-174.3	176.9	-179.2	178.1	0	111.7	T408 K409 Q415 Q416	T408-K412 WeakPolarHBondContact O-CB 3.38Å; T408-K412 PolarHBondContact O-N 3.11Å; K409-K412 PolarHBondContact O-N 3.23Å; K412-Q415 WeakPolarHBondContact O-CB 3.19Å; K412-Q415 PolarHBondContact O-N 3.28Å; K412-Q416 HydrophobicContact CG-CG 4.35Å; K412-Q416 WeakPolarHBondContact O-CB 3.41Å; K412-Q416 VanDerWaalsContact O-CG 3.27Å; K412-Q416 WeakPolarHBondContact O-CG 3.48Å; K412-Q416 PolarHBondContact O-N 2.9Å
413	L	98.3	Very high	97.3	Very high	29 Å²	29	77.4 Å²	77.4	15%	0.152	38%	0.382	C	S	.	.	H	α-helix	trans	-58.3	-48.6	174.3	176.2	67.6	0	0	0	111.5	K409 R410 Q415 Q416 L417	K409-L413 WeakPolarHBondContact O-CB 3.45Å; K409-L413 PolarHBondContact O-N 3.39Å; R410-L413 WeakPolarHBondContact O-CB 3.24Å; R410-L413 PolarHBondContact O-N 3.38Å; L413-Q415 VanDerWaalsContact C-N 3.26Å; L413-Q415 PolarHBondContact O-N 3.35Å; L413-Q416 PolarHBondContact O-N 3.3Å; L413-Q416 VanDerWaalsContact O-N 3.17Å; L413-L417 HydrophobicContact CD1-CD1 3.85Å; L413-L417 HydrophobicContact CD1-CG 4.13Å; L413-L417 HydrophobicContact CG-CD1 3.99Å; L413-L417 WeakPolarHBondContact O-CG 3.34Å; L413-L417 PolarHBondContact O-N 3.44Å
414	R	98.4	Very high	97.6	Very high	34 Å²	34	74.3 Å²	74.3	13%	0.128	36%	0.361	C	S	.	.	H	α-helix	trans	-56.5	-40.8	176.8	-175.8	176.2	179.1	-148.4	-4.3	112.2	V383 W384 D386 R410 K411 N418 C419 K420	V383-R414 WeakPolarHBondContact O-CD 3.17Å; V383-R414 PolarHBondContact O-NH1 3Å; W384-R414 HydrophobicContact CE3-CG 4.17Å; W384-R414 HydrophobicContact CH2-CB 3.85Å; W384-R414 HydrophobicContact CH2-CG 3.92Å; W384-R414 HydrophobicContact CZ2-CB 4.46Å; W384-R414 HydrophobicContact CZ3-CB 4.07Å; W384-R414 HydrophobicContact CZ3-CG 3.58Å; D386-R414 VanDerWaalsContact CG-NH2 3.35Å; D386-R414 IonicContact OD1-CZ 3.12Å; D386-R414 VanDerWaalsContact OD1-CZ 3.25Å; D386-R414 IonicContact OD1-NH1 2.79Å; D386-R414 PolarHBondContact OD1-NH1 3.11Å; D386-R414 IonicContact OD1-NH2 2.67Å; D386-R414 PolarHBondContact OD1-NH2 3.43Å; D386-R414 IonicContact OD2-NH2 2.83Å; D386-R414 PolarHBondContact OD2-NH2 3.17Å; R410-R414 PolarHBondContact O-N 3.19Å; K411-R414 PolarHBondContact O-N 3.08Å; R414-N418 PolarHBondContact O-N 3.08Å; R414-C419 HydrophobicContact CG-CB 3.83Å; R414-C419 PolarHBondContact O-N 3.35Å; R414-C419 PolarHBondContact O-SG 2.9Å; R414-C419 VanDerWaalsContact O-SG 3.35Å; R414-K420 PolarHBondContact NH2-O 3.33Å
415	Q	98.1	Very high	97.8	Very high	139 Å²	139	70.2 Å²	70.2	65%	0.65	35%	0.345	S	S	*	.	H	α-helix	trans	-67.1	-46.7	175.3	-70	171.1	-7.6	0	0	112.1	K411 K412 L413 L417 N418	K411-Q415 WeakPolarHBondContact O-CG 3.27Å; K411-Q415 PolarHBondContact O-N 3.46Å; K412-Q415 WeakPolarHBondContact O-CB 3.19Å; K412-Q415 PolarHBondContact O-N 3.28Å; L413-Q415 VanDerWaalsContact C-N 3.26Å; L413-Q415 PolarHBondContact O-N 3.35Å; Q415-L417 VanDerWaalsContact C-N 3.27Å; Q415-L417 PolarHBondContact O-N 3.29Å; Q415-N418 PolarHBondContact O-N 3.32Å
416	Q	98	Very high	98	Very high	124 Å²	124	68.5 Å²	68.5	58%	0.579	33%	0.327	S	S	*	.	H	α-helix	trans	-60.8	-36.2	-179.5	-75.4	174	-39.3	0	0	112.8	K412 L413 N418	K412-Q416 HydrophobicContact CG-CG 4.35Å; K412-Q416 WeakPolarHBondContact O-CB 3.41Å; K412-Q416 VanDerWaalsContact O-CG 3.27Å; K412-Q416 WeakPolarHBondContact O-CG 3.48Å; K412-Q416 PolarHBondContact O-N 2.9Å; L413-Q416 PolarHBondContact O-N 3.3Å; L413-Q416 VanDerWaalsContact O-N 3.17Å; Q416-N418 PolarHBondContact O-N 3.29Å
417	L	98.2	Very high	98	Very high	44 Å²	44	67.3 Å²	67.3	23%	0.23	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-1.1	177.2	-66.5	175.3	0	0	0	113.3	I317 C341 L413 Q415 C419	I317-L417 HydrophobicContact CB-CD1 4.4Å; I317-L417 HydrophobicContact CG2-CD1 4.44Å; C341-L417 HydrophobicContact CB-CB 4.37Å; C341-L417 HydrophobicContact CB-CD1 4.4Å; L413-L417 HydrophobicContact CD1-CD1 3.85Å; L413-L417 HydrophobicContact CD1-CG 4.13Å; L413-L417 HydrophobicContact CG-CD1 3.99Å; L413-L417 WeakPolarHBondContact O-CG 3.34Å; L413-L417 PolarHBondContact O-N 3.44Å; Q415-L417 VanDerWaalsContact C-N 3.27Å; Q415-L417 PolarHBondContact O-N 3.29Å; L417-C419 WeakPolarHBondContact CB-SG 3.27Å; L417-C419 PolarHBondContact O-N 2.82Å
418	N	98	Very high	98	Very high	143 Å²	143	71.7 Å²	71.7	77%	0.765	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	43	-175.8	-60.9	-63.5	0	0	0	112.8	R414 Q415 Q416	R414-N418 PolarHBondContact O-N 3.08Å; Q415-N418 PolarHBondContact O-N 3.32Å; Q416-N418 PolarHBondContact O-N 3.29Å
419	C	98.6	Very high	98	Very high	22 Å²	22	68.5 Å²	68.5	15%	0.149	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-68.1	146.9	-176.3	-49.1	0	0	0	0	111.4	Q340 C341 W384 R414 L417	Q340-C419 HydrophobicContact CB-CB 4.19Å; Q340-C419 CarbonylContact O-C 3.49Å; Q340-C419 WeakPolarHBondContact O-CA 3.26Å; C341-C419 HydrophobicContact CB-CB 4.07Å; C341-C419 WeakPolarHBondContact CB-SG 3.49Å; C341-C419 WeakPolarHBondContact SG-CB 3.37Å; C341-C419 CovalentContact SG-SG 2.03Å; C341-C419 PolarHBondContact SG-SG 2.9Å; W384-C419 HydrophobicContact CZ3-CB 4.31Å; R414-C419 HydrophobicContact CG-CB 3.83Å; R414-C419 PolarHBondContact O-N 3.35Å; R414-C419 PolarHBondContact O-SG 2.9Å; R414-C419 VanDerWaalsContact O-SG 3.35Å; L417-C419 WeakPolarHBondContact CB-SG 3.27Å; L417-C419 PolarHBondContact O-N 2.82Å
420	K	98.6	Very high	98	Very high	98 Å²	98	61 Å²	61	43%	0.426	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-71.3	168.3	177.2	-56.4	178.9	-173.1	-78.8	0	110.9	Q340 R414 W424	Q340-K420 PolarHBondContact O-N 3.25Å; Q340-K420 PolarHBondContact OE1-O 3.14Å; R414-K420 PolarHBondContact NH2-O 3.33Å; K420-W424 HydrophobicContact CB-CB 4.04Å; K420-W424 HydrophobicContact CB-CD2 3.79Å; K420-W424 HydrophobicContact CB-CE3 3.74Å; K420-W424 HydrophobicContact CB-CG 3.88Å; K420-W424 HydrophobicContact CD-CD2 3.19Å; K420-W424 HydrophobicContact CD-CE3 3.49Å; K420-W424 VanDerWaalsContact CD-CE3 3.49Å; K420-W424 HydrophobicContact CD-CG 3.75Å; K420-W424 HydrophobicContact CD-CH2 3.73Å; K420-W424 HydrophobicContact CD-CZ2 3.46Å; K420-W424 VanDerWaalsContact CD-CZ2 3.46Å; K420-W424 HydrophobicContact CD-CZ3 3.75Å; K420-W424 HydrophobicContact CG-CD2 4.12Å; K420-W424 HydrophobicContact CG-CE3 4.25Å; K420-W424 HydrophobicContact CG-CG 4.39Å
421	S	98.2	Very high	97.8	Very high	51 Å²	51	61.2 Å²	61.2	36%	0.357	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-75.7	162	179.1	63.2	0	0	0	0	112.3	Q340 D386 R423 W424 Y425	Q340-S421 VanDerWaalsContact OE1-C 3.28Å; D386-S421 WeakPolarHBondContact OD2-CA 3.12Å; D386-S421 WeakPolarHBondContact OD2-CB 3.25Å; S421-R423 PolarHBondContact O-N 2.67Å; S421-W424 WeakPolarHBondContact O-CB 3.27Å; S421-W424 PolarHBondContact O-N 3.28Å; S421-W424 VanDerWaalsContact O-N 3.13Å; S421-W424 PolarHBondContact OG-N 3.28Å; S421-W424 VanDerWaalsContact OG-N 3.13Å; S421-Y425 PolarHBondContact O-N 3.38Å; S421-Y425 VanDerWaalsContact O-N 3.13Å
422	F	98	Very high	97.6	Very high	0 Å²	0	60 Å²	60	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-64.8	-31.6	171.4	-166.1	-108.6	0	0	0	111.7	F270 F336 W384 L385 D386 Y388 W424 Y425 L426 I435	F270-F422 HydrophobicContact CE2-CZ 4.17Å; F270-F422 HydrophobicContact CZ-CE2 4.5Å; F270-F422 AromaticContact CZ-CZ 3.9Å; F270-F422 HydrophobicContact CZ-CZ 3.9Å; F336-F422 HydrophobicContact CD1-CE2 4.16Å; F336-F422 HydrophobicContact CD2-CE2 4.11Å; F336-F422 AromaticContact CE1-CE2 3.97Å; F336-F422 HydrophobicContact CE1-CE2 3.97Å; F336-F422 AromaticContact CE2-CE2 3.91Å; F336-F422 HydrophobicContact CE2-CE2 3.91Å; F336-F422 HydrophobicContact CE2-CZ 4.47Å; F336-F422 HydrophobicContact CG-CE2 4.23Å; F336-F422 AromaticContact CZ-CE2 3.84Å; F336-F422 HydrophobicContact CZ-CE2 3.84Å; F336-F422 HydrophobicContact CZ-CZ 4.19Å; W384-F422 WeakPolarHBondContact O-CB 3.35Å; W384-F422 WeakPolarHBondContact O-CD2 3.13Å; L385-F422 HydrophobicContact CB-CG 4.4Å; L385-F422 HydrophobicContact CD1-CD2 4.42Å; L385-F422 HydrophobicContact CD1-CE2 4.28Å; L385-F422 HydrophobicContact CG-CD1 4.32Å; L385-F422 HydrophobicContact CG-CD2 4.12Å; L385-F422 HydrophobicContact CG-CE1 4.21Å; L385-F422 HydrophobicContact CG-CE2 4.02Å; L385-F422 HydrophobicContact CG-CG 4.26Å; L385-F422 HydrophobicContact CG-CZ 4.05Å; D386-F422 PolarHBondContact OD2-N 2.79Å; Y388-F422 HydrophobicContact CD2-CB 4.32Å; Y388-F422 AromaticContact CD2-CD1 3.67Å; Y388-F422 HydrophobicContact CD2-CD1 3.67Å; Y388-F422 HydrophobicContact CD2-CG 4.48Å; Y388-F422 HydrophobicContact CE2-CD1 4.45Å; Y388-F422 AromaticContact CG-CD1 3.71Å; Y388-F422 HydrophobicContact CG-CD1 3.71Å; Y388-F422 HydrophobicContact CG-CE1 4.21Å; F422-W424 VanDerWaalsContact C-N 3.32Å; F422-W424 PolarHBondContact O-N 3.38Å; F422-Y425 HydrophobicContact CD2-CD1 4.15Å; F422-Y425 AromaticContact CE2-CD1 3.78Å; F422-Y425 HydrophobicContact CE2-CD1 3.78Å; F422-Y425 HydrophobicContact CE2-CE1 4.15Å; F422-Y425 HydrophobicContact CZ-CD1 4.26Å; F422-Y425 HydrophobicContact CZ-CE1 4.5Å; F422-Y425 WeakPolarHBondContact O-CB 3.17Å; F422-Y425 PolarHBondContact O-N 2.75Å; F422-Y425 VanDerWaalsContact O-N 3.17Å; F422-L426 HydrophobicContact CD1-CD1 3.95Å; F422-L426 HydrophobicContact CD1-CG 4.08Å; F422-L426 HydrophobicContact CE1-CD1 3.79Å; F422-L426 HydrophobicContact CE1-CD2 3.94Å; F422-L426 HydrophobicContact CE1-CG 3.85Å; F422-L426 HydrophobicContact CZ-CD2 4.13Å; F422-L426 HydrophobicContact CZ-CG 4.41Å; F422-L426 WeakPolarHBondContact O-CG 3.32Å; F422-L426 PolarHBondContact O-N 3.16Å; F422-I435 HydrophobicContact CE1-CD1 4.31Å
423	R	97.7	Very high	97.4	Very high	108 Å²	108	54.7 Å²	54.7	41%	0.408	26%	0.264	S	S	.	.	H	α-helix	trans	-56.7	-47.6	170.7	-176.5	175.6	175	105.7	7.8	111.1	Y388 S421 Y425 L426 E427 I437	Y388-R423 HydrophobicContact CE2-CB 3.95Å; S421-R423 PolarHBondContact O-N 2.67Å; R423-Y425 VanDerWaalsContact C-N 3.28Å; R423-Y425 PolarHBondContact O-N 2.67Å; R423-L426 PolarHBondContact O-N 2.95Å; R423-E427 HydrophobicContact CG-CG 4.39Å; R423-E427 IonicContact CZ-OE1 3.51Å; R423-E427 VanDerWaalsContact CZ-OE1 3.29Å; R423-E427 IonicContact NE-OE1 3.53Å; R423-E427 PolarHBondContact NE-OE1 3.01Å; R423-E427 IonicContact NH2-OE1 2.96Å; R423-E427 PolarHBondContact NH2-OE1 2.94Å; R423-E427 WeakPolarHBondContact O-CB 3.48Å; R423-E427 WeakPolarHBondContact O-CG 3.39Å; R423-E427 PolarHBondContact O-N 3.17Å; R423-I437 HydrophobicContact CG-CG2 4.39Å; R423-I437 PolarHBondContact NH1-O 3.16Å
424	W	98.3	Very high	97	Very high	56 Å²	56	55.2 Å²	55.2	21%	0.212	27%	0.27	C	S	.	.	H	α-helix	trans	-60.2	-40.8	177.1	176.8	90.7	0	0	0	111.4	W339 K420 S421 F422 E427 H428 I429	W339-W424 WeakPolarHBondContact O-CZ3 3.09Å; K420-W424 HydrophobicContact CB-CB 4.04Å; K420-W424 HydrophobicContact CB-CD2 3.79Å; K420-W424 HydrophobicContact CB-CE3 3.74Å; K420-W424 HydrophobicContact CB-CG 3.88Å; K420-W424 HydrophobicContact CD-CD2 3.19Å; K420-W424 HydrophobicContact CD-CE3 3.49Å; K420-W424 VanDerWaalsContact CD-CE3 3.49Å; K420-W424 HydrophobicContact CD-CG 3.75Å; K420-W424 HydrophobicContact CD-CH2 3.73Å; K420-W424 HydrophobicContact CD-CZ2 3.46Å; K420-W424 VanDerWaalsContact CD-CZ2 3.46Å; K420-W424 HydrophobicContact CD-CZ3 3.75Å; K420-W424 HydrophobicContact CG-CD2 4.12Å; K420-W424 HydrophobicContact CG-CE3 4.25Å; K420-W424 HydrophobicContact CG-CG 4.39Å; S421-W424 WeakPolarHBondContact O-CB 3.27Å; S421-W424 PolarHBondContact O-N 3.28Å; S421-W424 VanDerWaalsContact O-N 3.13Å; S421-W424 PolarHBondContact OG-N 3.28Å; S421-W424 VanDerWaalsContact OG-N 3.13Å; F422-W424 VanDerWaalsContact C-N 3.32Å; F422-W424 PolarHBondContact O-N 3.38Å; W424-E427 PolarHBondContact O-N 3.07Å; W424-H428 AromaticContact CD1-CE1 3.28Å; W424-H428 AromaticContact CD1-CG 3.95Å; W424-H428 AromaticContact CD1-ND1 3.21Å; W424-H428 AromaticContact CD1-NE2 3.97Å; W424-H428 HydrophobicContact CD2-CB 4.36Å; W424-H428 AromaticContact CD2-ND1 3.92Å; W424-H428 AromaticContact CE2-CG 3.67Å; W424-H428 AromaticContact CE2-ND1 3.69Å; W424-H428 AromaticContact CG-ND1 3.64Å; W424-H428 HydrophobicContact CH2-CB 4.4Å; W424-H428 HydrophobicContact CZ2-CB 3.92Å; W424-H428 AromaticContact NE1-CD2 3.71Å; W424-H428 AromaticContact NE1-CE1 3.38Å; W424-H428 PolarHBondContact NE1-CE1 3.43Å; W424-H428 AromaticContact NE1-CG 3.44Å; W424-H428 AromaticContact NE1-ND1 3.21Å; W424-H428 PolarHBondContact NE1-ND1 2.77Å; W424-H428 AromaticContact NE1-NE2 3.64Å; W424-H428 WeakPolarHBondContact O-CB 3.37Å; W424-H428 PolarHBondContact O-N 2.9Å; W424-H428 PolarHBondContact O-ND1 3.36Å; W424-I429 HydrophobicContact CH2-CD1 3.88Å; W424-I429 HydrophobicContact CH2-CG1 4.14Å; W424-I429 HydrophobicContact CZ3-CD1 4.11Å; W424-I429 HydrophobicContact CZ3-CG1 3.85Å
425	Y	98.7	Very high	96.8	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-59	-48.3	175.9	170.1	-90.9	0	0	0	111.6	F270 P300 F336 W339 S421 F422 R423 E427 H428 I429 Y430	F270-Y425 AromaticContact CE1-CE1 3.91Å; F270-Y425 HydrophobicContact CE1-CE1 3.91Å; F270-Y425 HydrophobicContact CZ-CE1 4.05Å; P300-Y425 WeakPolarHBondContact CB-OH 3.27Å; P300-Y425 PolarHBondContact O-OH 2.98Å; F336-Y425 HydrophobicContact CD1-CE1 4.09Å; F336-Y425 HydrophobicContact CD1-CE2 4.19Å; F336-Y425 AromaticContact CD1-CZ 3.81Å; F336-Y425 AromaticContact CE1-CE1 3.97Å; F336-Y425 HydrophobicContact CE1-CE1 3.97Å; F336-Y425 AromaticContact CE1-CZ 3.93Å; W339-Y425 HydrophobicContact CB-CD2 3.75Å; W339-Y425 HydrophobicContact CB-CE2 3.91Å; W339-Y425 AromaticContact CD1-CE2 3.78Å; W339-Y425 HydrophobicContact CG-CD2 4.3Å; W339-Y425 HydrophobicContact CG-CE2 4.04Å; S421-Y425 PolarHBondContact O-N 3.38Å; S421-Y425 VanDerWaalsContact O-N 3.13Å; F422-Y425 HydrophobicContact CD2-CD1 4.15Å; F422-Y425 AromaticContact CE2-CD1 3.78Å; F422-Y425 HydrophobicContact CE2-CD1 3.78Å; F422-Y425 HydrophobicContact CE2-CE1 4.15Å; F422-Y425 HydrophobicContact CZ-CD1 4.26Å; F422-Y425 HydrophobicContact CZ-CE1 4.5Å; F422-Y425 WeakPolarHBondContact O-CB 3.17Å; F422-Y425 PolarHBondContact O-N 2.75Å; F422-Y425 VanDerWaalsContact O-N 3.17Å; R423-Y425 VanDerWaalsContact C-N 3.28Å; R423-Y425 PolarHBondContact O-N 2.67Å; Y425-E427 VanDerWaalsContact C-N 3.32Å; Y425-E427 PolarHBondContact O-N 3.1Å; Y425-H428 PolarHBondContact O-N 3.15Å; Y425-I429 HydrophobicContact CD2-CB 3.79Å; Y425-I429 HydrophobicContact CD2-CG1 3.92Å; Y425-I429 HydrophobicContact CD2-CG2 4.05Å; Y425-I429 HydrophobicContact CE2-CB 3.91Å; Y425-I429 HydrophobicContact CE2-CG1 4.4Å; Y425-I429 HydrophobicContact CE2-CG2 3.65Å; Y425-I429 HydrophobicContact CG-CB 4.37Å; Y425-I429 WeakPolarHBondContact O-CA 3.42Å; Y425-I429 VanDerWaalsContact O-CB 3.27Å; Y425-I429 WeakPolarHBondContact O-CB 3.32Å; Y425-I429 PolarHBondContact O-N 3.08Å; Y425-Y430 PolarHBondContact O-N 3.18Å; Y425-Y430 VanDerWaalsContact O-N 3.11Å
426	L	97.5	Very high	96.6	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-63.5	-38.4	175.9	-62.7	176.2	0	0	0	111.6	Y388 F422 R423 Y430 P431 I435 I437	Y388-L426 HydrophobicContact CD1-CD1 4.08Å; Y388-L426 HydrophobicContact CE1-CD1 3.84Å; Y388-L426 HydrophobicContact CE2-CD1 4.48Å; Y388-L426 HydrophobicContact CG-CD1 4.49Å; F422-L426 HydrophobicContact CD1-CD1 3.95Å; F422-L426 HydrophobicContact CD1-CG 4.08Å; F422-L426 HydrophobicContact CE1-CD1 3.79Å; F422-L426 HydrophobicContact CE1-CD2 3.94Å; F422-L426 HydrophobicContact CE1-CG 3.85Å; F422-L426 HydrophobicContact CZ-CD2 4.13Å; F422-L426 HydrophobicContact CZ-CG 4.41Å; F422-L426 WeakPolarHBondContact O-CG 3.32Å; F422-L426 PolarHBondContact O-N 3.16Å; R423-L426 PolarHBondContact O-N 2.95Å; L426-Y430 CarbonylContact O-C 3.47Å; L426-P431 WeakPolarHBondContact O-CA 3.41Å; L426-P431 WeakPolarHBondContact O-CD 3.1Å; L426-I435 HydrophobicContact CD1-CB 4.47Å; L426-I435 HydrophobicContact CD1-CG2 3.99Å; L426-I437 HydrophobicContact CB-CD1 3.99Å; L426-I437 HydrophobicContact CB-CG1 3.5Å; L426-I437 HydrophobicContact CD1-CG1 4.22Å; L426-I437 HydrophobicContact CG-CG1 4.49Å; L426-I437 WeakPolarHBondContact O-CD1 3.14Å
427	E	96.7	Very high	96.4	Very high	74 Å²	74	43 Å²	43	35%	0.346	22%	0.215	S	C	.	.	H	α-helix	trans	-69.9	-32.3	-179.5	-75.1	171.1	171.2	0	0	114.3	R423 W424 Y425 P431 I437	R423-E427 HydrophobicContact CG-CG 4.39Å; R423-E427 IonicContact CZ-OE1 3.51Å; R423-E427 VanDerWaalsContact CZ-OE1 3.29Å; R423-E427 IonicContact NE-OE1 3.53Å; R423-E427 PolarHBondContact NE-OE1 3.01Å; R423-E427 IonicContact NH2-OE1 2.96Å; R423-E427 PolarHBondContact NH2-OE1 2.94Å; R423-E427 WeakPolarHBondContact O-CB 3.48Å; R423-E427 WeakPolarHBondContact O-CG 3.39Å; R423-E427 PolarHBondContact O-N 3.17Å; W424-E427 PolarHBondContact O-N 3.07Å; Y425-E427 VanDerWaalsContact C-N 3.32Å; Y425-E427 PolarHBondContact O-N 3.1Å; E427-P431 WeakPolarHBondContact O-CG 3.37Å; E427-I437 HydrophobicContact CG-CD1 4.08Å; E427-I437 HydrophobicContact CG-CG2 3.83Å
428	H	97.2	Very high	96.2	Very high	100 Å²	100	43 Å²	43	46%	0.463	22%	0.215	S	C	.	.	H	α-helix	trans	-117.5	-26.1	-168.3	-60.5	77.2	0	0	0	114.1	W424 Y425	W424-H428 AromaticContact CD1-CE1 3.28Å; W424-H428 AromaticContact CD1-CG 3.95Å; W424-H428 AromaticContact CD1-ND1 3.21Å; W424-H428 AromaticContact CD1-NE2 3.97Å; W424-H428 HydrophobicContact CD2-CB 4.36Å; W424-H428 AromaticContact CD2-ND1 3.92Å; W424-H428 AromaticContact CE2-CG 3.67Å; W424-H428 AromaticContact CE2-ND1 3.69Å; W424-H428 AromaticContact CG-ND1 3.64Å; W424-H428 HydrophobicContact CH2-CB 4.4Å; W424-H428 HydrophobicContact CZ2-CB 3.92Å; W424-H428 AromaticContact NE1-CD2 3.71Å; W424-H428 AromaticContact NE1-CE1 3.38Å; W424-H428 PolarHBondContact NE1-CE1 3.43Å; W424-H428 AromaticContact NE1-CG 3.44Å; W424-H428 AromaticContact NE1-ND1 3.21Å; W424-H428 PolarHBondContact NE1-ND1 2.77Å; W424-H428 AromaticContact NE1-NE2 3.64Å; W424-H428 WeakPolarHBondContact O-CB 3.37Å; W424-H428 PolarHBondContact O-N 2.9Å; W424-H428 PolarHBondContact O-ND1 3.36Å; Y425-H428 PolarHBondContact O-N 3.15Å
429	I	97.8	Very high	96.1	Very high	18 Å²	18	36.9 Å²	36.9	9%	0.092	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-48.7	-174.1	-52.1	-53.1	0	0	0	110.8	R284 W339 W424 Y425	R284-I429 PolarHBondContact NH2-O 3.13Å; W339-I429 HydrophobicContact CB-CG1 4.11Å; W339-I429 HydrophobicContact CB-CG2 4.46Å; W339-I429 HydrophobicContact CD2-CB 4.46Å; W339-I429 HydrophobicContact CD2-CD1 3.79Å; W339-I429 HydrophobicContact CD2-CG1 3.98Å; W339-I429 HydrophobicContact CD2-CG2 3.65Å; W339-I429 HydrophobicContact CE3-CD1 3.33Å; W339-I429 HydrophobicContact CE3-CG1 4.01Å; W339-I429 HydrophobicContact CE3-CG2 4.33Å; W339-I429 HydrophobicContact CG-CB 4.47Å; W339-I429 HydrophobicContact CG-CD1 4.39Å; W339-I429 HydrophobicContact CG-CG1 4.07Å; W339-I429 HydrophobicContact CG-CG2 3.71Å; W339-I429 HydrophobicContact CH2-CD1 4.44Å; W339-I429 HydrophobicContact CZ2-CG2 4.23Å; W339-I429 HydrophobicContact CZ3-CD1 3.71Å; W424-I429 HydrophobicContact CH2-CD1 3.88Å; W424-I429 HydrophobicContact CH2-CG1 4.14Å; W424-I429 HydrophobicContact CZ3-CD1 4.11Å; W424-I429 HydrophobicContact CZ3-CG1 3.85Å; Y425-I429 HydrophobicContact CD2-CB 3.79Å; Y425-I429 HydrophobicContact CD2-CG1 3.92Å; Y425-I429 HydrophobicContact CD2-CG2 4.05Å; Y425-I429 HydrophobicContact CE2-CB 3.91Å; Y425-I429 HydrophobicContact CE2-CG1 4.4Å; Y425-I429 HydrophobicContact CE2-CG2 3.65Å; Y425-I429 HydrophobicContact CG-CB 4.37Å; Y425-I429 WeakPolarHBondContact O-CA 3.42Å; Y425-I429 VanDerWaalsContact O-CB 3.27Å; Y425-I429 WeakPolarHBondContact O-CB 3.32Å; Y425-I429 PolarHBondContact O-N 3.08Å
430	Y	96.9	Very high	95.9	Very high	5 Å²	5	39 Å²	39	2%	0.02	19%	0.192	C	C	.	.			trans	-133.3	66.5	-179.1	-167	-150.9	0	0	0	114.4	W267 T269 F270 P300 Y425 L426 E432 S433	W267-Y430 HydrophobicContact CH2-CD2 4.44Å; W267-Y430 HydrophobicContact CZ2-CD2 4.38Å; W267-Y430 HydrophobicContact CZ2-CE2 4.17Å; T269-Y430 VanDerWaalsContact CB-OH 3.3Å; T269-Y430 WeakPolarHBondContact CB-OH 3.37Å; T269-Y430 HydrophobicContact CG2-CE1 4.48Å; T269-Y430 HydrophobicContact CG2-CE2 4.18Å; T269-Y430 VanDerWaalsContact CG2-OH 3.3Å; T269-Y430 WeakPolarHBondContact CG2-OH 3.42Å; F270-Y430 HydrophobicContact CD1-CD1 4.28Å; F270-Y430 HydrophobicContact CD1-CE1 4.19Å; F270-Y430 AromaticContact CE1-CD1 3.65Å; F270-Y430 HydrophobicContact CE1-CD1 3.65Å; F270-Y430 AromaticContact CE1-CE1 3.97Å; F270-Y430 HydrophobicContact CE1-CE1 3.97Å; F270-Y430 HydrophobicContact CZ-CD1 4.31Å; P300-Y430 HydrophobicContact CB-CD1 3.94Å; P300-Y430 HydrophobicContact CB-CD2 4.23Å; P300-Y430 HydrophobicContact CB-CG 3.78Å; P300-Y430 HydrophobicContact CG-CD1 4.22Å; P300-Y430 HydrophobicContact CG-CD2 3.6Å; P300-Y430 HydrophobicContact CG-CE2 4.16Å; P300-Y430 HydrophobicContact CG-CG 3.66Å; Y425-Y430 PolarHBondContact O-N 3.18Å; Y425-Y430 VanDerWaalsContact O-N 3.11Å; L426-Y430 CarbonylContact O-C 3.47Å; Y430-E432 HydrophobicContact CD2-CB 4.19Å; Y430-E432 HydrophobicContact CE2-CB 3.92Å; Y430-E432 PolarHBondContact O-N 2.92Å; Y430-E432 VanDerWaalsContact O-N 3.16Å; Y430-S433 VanDerWaalsContact CE1-CA 3.49Å; Y430-S433 VanDerWaalsContact O-CB 3.3Å; Y430-S433 WeakPolarHBondContact O-CB 3.41Å; Y430-S433 PolarHBondContact O-N 3.19Å; Y430-S433 VanDerWaalsContact O-N 3.12Å
431	P	94.7	Very high	95.8	Very high	32 Å²	32	37.6 Å²	37.6	21%	0.208	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-17.9	175.3	-22.9	34.2	0	0	0	114.6	L426 E427 S433	L426-P431 WeakPolarHBondContact O-CA 3.41Å; L426-P431 WeakPolarHBondContact O-CD 3.1Å; E427-P431 WeakPolarHBondContact O-CG 3.37Å; P431-S433 VanDerWaalsContact C-N 3.29Å
432	E	92.7	Very high	95.7	Very high	63 Å²	63	35.1 Å²	35.1	29%	0.294	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	2.7	-180	-52	81.5	-166.4	0	0	112.7	V282 R284 Y430	V282-E432 HydrophobicContact CB-CG 4.2Å; V282-E432 HydrophobicContact CG1-CB 4.23Å; V282-E432 HydrophobicContact CG1-CG 4.01Å; V282-E432 HydrophobicContact CG2-CG 3.87Å; R284-E432 IonicContact CZ-OE1 3.62Å; R284-E432 IonicContact CZ-OE2 3.29Å; R284-E432 IonicContact NE-OE1 3.79Å; R284-E432 PolarHBondContact NE-OE1 3.24Å; R284-E432 IonicContact NE-OE2 2.76Å; R284-E432 IonicContact NH2-OE1 3.87Å; R284-E432 IonicContact NH2-OE2 3.04Å; R284-E432 PolarHBondContact NH2-OE2 3.49Å; Y430-E432 HydrophobicContact CD2-CB 4.19Å; Y430-E432 HydrophobicContact CE2-CB 3.92Å; Y430-E432 PolarHBondContact O-N 2.92Å; Y430-E432 VanDerWaalsContact O-N 3.16Å
433	S	93.9	Very high	95.5	Very high	8 Å²	8	35.2 Å²	35.2	6%	0.056	17%	0.168	C	C	.	.			trans	-52.7	143	177	-173.6	0	0	0	0	112.4	Y430 P431 I435	Y430-S433 VanDerWaalsContact CE1-CA 3.49Å; Y430-S433 VanDerWaalsContact O-CB 3.3Å; Y430-S433 WeakPolarHBondContact O-CB 3.41Å; Y430-S433 PolarHBondContact O-N 3.19Å; Y430-S433 VanDerWaalsContact O-N 3.12Å; P431-S433 VanDerWaalsContact C-N 3.29Å; S433-I435 PolarHBondContact O-N 3.11Å; S433-I435 PolarHBondContact OG-N 3.29Å; S433-I435 VanDerWaalsContact OG-N 3.13Å
434	S	91.4	Very high	95.4	Very high	41 Å²	41	31.2 Å²	31.2	29%	0.287	15%	0.154	S	C	.	.	S	Bend	trans	-60.4	-23.9	168	59.9	0	0	0	0	112.1	W272 P436	W272-S434 VanDerWaalsContact CD1-OG 3.26Å; W272-S434 PolarHBondContact NE1-O 3.25Å; W272-S434 PolarHBondContact NE1-OG 3.43Å; S434-P436 VanDerWaalsContact O-CD 3.25Å; S434-P436 WeakPolarHBondContact O-CD 3.26Å
435	I	94.5	Very high	95.4	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.01	14%	0.144	C	C	.	.	S	Bend	trans	-78.5	113.6	174.1	-60.4	178.9	0	0	0	109	F270 W272 Y388 F391 F422 L426 S433 I437	F270-I435 HydrophobicContact CE2-CD1 3.89Å; W272-I435 HydrophobicContact CG-CG1 4.28Å; Y388-I435 HydrophobicContact CD1-CG2 3.65Å; Y388-I435 HydrophobicContact CE1-CG2 4.23Å; F391-I435 HydrophobicContact CD2-CG2 4.13Å; F391-I435 HydrophobicContact CE1-CG2 4.46Å; F391-I435 HydrophobicContact CE2-CG2 3.95Å; F391-I435 HydrophobicContact CG-CG2 4.47Å; F391-I435 HydrophobicContact CZ-CG2 4.12Å; F422-I435 HydrophobicContact CE1-CD1 4.31Å; L426-I435 HydrophobicContact CD1-CB 4.47Å; L426-I435 HydrophobicContact CD1-CG2 3.99Å; S433-I435 PolarHBondContact O-N 3.11Å; S433-I435 PolarHBondContact OG-N 3.29Å; S433-I435 VanDerWaalsContact OG-N 3.13Å; I435-I437 PolarHBondContact O-N 3.29Å
436	P	93.6	Very high	95.3	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.013	17%	0.166	C	C	.	.			trans	-69.3	129.4	178.8	23.2	-29.2	0	0	0	112.7	F391 S434 D438 V439 A479 T481	F391-P436 HydrophobicContact CE1-CG 4.45Å; F391-P436 HydrophobicContact CZ-CG 4.07Å; S434-P436 VanDerWaalsContact O-CD 3.25Å; S434-P436 WeakPolarHBondContact O-CD 3.26Å; P436-D438 VanDerWaalsContact C-N 3.31Å; P436-V439 HydrophobicContact CG-CB 4.11Å; P436-A479 HydrophobicContact CG-CB 3.97Å; P436-T481 HydrophobicContact CB-CG2 3.5Å; P436-T481 VanDerWaalsContact CB-CG2 3.5Å; P436-T481 HydrophobicContact CG-CG2 3.92Å
437	I	93.7	Very high	95.2	Very high	37 Å²	37	35.1 Å²	35.1	19%	0.19	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-36.5	172.7	-59.5	164.5	0	0	0	111.3	Y388 R423 L426 E427 I435 V439	Y388-I437 PolarHBondContact OH-O 2.91Å; R423-I437 HydrophobicContact CG-CG2 4.39Å; R423-I437 PolarHBondContact NH1-O 3.16Å; L426-I437 HydrophobicContact CB-CD1 3.99Å; L426-I437 HydrophobicContact CB-CG1 3.5Å; L426-I437 HydrophobicContact CD1-CG1 4.22Å; L426-I437 HydrophobicContact CG-CG1 4.49Å; L426-I437 WeakPolarHBondContact O-CD1 3.14Å; E427-I437 HydrophobicContact CG-CD1 4.08Å; E427-I437 HydrophobicContact CG-CG2 3.83Å; I435-I437 PolarHBondContact O-N 3.29Å; I437-V439 VanDerWaalsContact C-N 3.31Å; I437-V439 PolarHBondContact O-N 3.04Å
438	D	93.1	Very high	94.8	Very high	43 Å²	43	37.3 Å²	37.3	23%	0.23	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	29.8	-174.7	66.4	-35.7	0	0	0	112.5	P436 I440 T481 E482 S483	P436-D438 VanDerWaalsContact C-N 3.31Å; D438-I440 PolarHBondContact O-N 3.14Å; D438-T481 CarbonylContact O-C 3.45Å; D438-T481 VanDerWaalsContact O-CA 3.24Å; D438-T481 WeakPolarHBondContact O-CA 3.46Å; D438-T481 WeakPolarHBondContact OD2-CB 3.42Å; D438-E482 HydrophobicContact CB-CB 4.03Å; D438-E482 PolarHBondContact O-N 3.4Å; D438-S483 PolarHBondContact OD2-N 3.2Å; D438-S483 PolarHBondContact OD2-OG 2.89Å
439	V	95.4	Very high	94.5	Very high	14 Å²	14	36 Å²	36	9%	0.085	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	128.8	178.3	58.3	0	0	0	0	111.6	Y388 F391 P436 I437 A479 F566	Y388-V439 HydrophobicContact CE1-CG1 4.01Å; F391-V439 HydrophobicContact CE2-CG1 4.18Å; F391-V439 HydrophobicContact CE2-CG2 4.44Å; F391-V439 HydrophobicContact CZ-CB 4.27Å; F391-V439 HydrophobicContact CZ-CG1 4.34Å; F391-V439 HydrophobicContact CZ-CG2 4.02Å; P436-V439 HydrophobicContact CG-CB 4.11Å; I437-V439 VanDerWaalsContact C-N 3.31Å; I437-V439 PolarHBondContact O-N 3.04Å; V439-A479 HydrophobicContact CG2-CB 4.22Å; V439-F566 HydrophobicContact CB-CD1 4.49Å; V439-F566 HydrophobicContact CB-CG 4.41Å; V439-F566 HydrophobicContact CG1-CB 4.43Å; V439-F566 HydrophobicContact CG1-CD1 3.42Å; V439-F566 VanDerWaalsContact CG1-CD1 3.42Å; V439-F566 HydrophobicContact CG1-CD2 4.06Å; V439-F566 HydrophobicContact CG1-CE1 3.45Å; V439-F566 VanDerWaalsContact CG1-CE1 3.45Å; V439-F566 HydrophobicContact CG1-CE2 4.13Å; V439-F566 HydrophobicContact CG1-CG 3.7Å; V439-F566 HydrophobicContact CG1-CZ 3.83Å; V439-F566 HydrophobicContact CG2-CB 4.04Å; V439-F566 HydrophobicContact CG2-CD2 4.06Å; V439-F566 HydrophobicContact CG2-CG 3.95Å
440	I	95.7	Very high	94.2	Very high	66 Å²	66	36.6 Å²	36.6	34%	0.338	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	-31.7	177.1	58.9	161.6	0	0	0	112.6	D438 I480 E482 L565 F566	D438-I440 PolarHBondContact O-N 3.14Å; I440-I480 HydrophobicContact CD1-CG2 3.85Å; I440-I480 HydrophobicContact CG1-CB 4.17Å; I440-I480 HydrophobicContact CG1-CG2 3.9Å; I440-I480 WeakPolarHBondContact CG1-O 3.38Å; I440-I480 PolarHBondContact N-O 3.33Å; I440-E482 HydrophobicContact CG2-CB 4.08Å; I440-L565 CarbonylContact O-C 3.58Å; I440-L565 WeakPolarHBondContact O-CA 3.25Å; I440-F566 PolarHBondContact O-N 3.31Å
441	R	96.3	Very high	94.1	Very high	69 Å²	69	38.2 Å²	38.2	26%	0.26	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	145.2	179.9	-59.8	174.9	172.8	-79.5	-3.1	109.9	A479 I480 P563 P564 L565	R441-A479 WeakPolarHBondContact O-CA 3.4Å; R441-I480 HydrophobicContact CB-CB 4.13Å; R441-I480 HydrophobicContact CB-CD1 4.31Å; R441-I480 HydrophobicContact CB-CG1 4.45Å; R441-I480 PolarHBondContact N-O 2.79Å; R441-I480 PolarHBondContact O-N 2.89Å; R441-P563 HydrophobicContact CB-CB 4.31Å; R441-P563 HydrophobicContact CB-CG 3.88Å; R441-P563 VanDerWaalsContact CD-O 3.27Å; R441-P563 WeakPolarHBondContact CD-O 3.44Å; R441-P563 PolarHBondContact NH1-O 2.88Å; R441-P564 WeakPolarHBondContact CA-O 3.37Å; R441-P564 VanDerWaalsContact CB-O 3.26Å; R441-P564 WeakPolarHBondContact CB-O 3.16Å; R441-L565 HydrophobicContact CG-CD2 4.08Å
442	L	95.3	Very high	94.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	127.3	-178.9	-175.7	68.3	0	0	0	110.4	R390 F391 M394 V477 F478 A479 P564 F566	R390-L442 HydrophobicContact CB-CD2 3.89Å; F391-L442 HydrophobicContact CD1-CD1 3.91Å; F391-L442 HydrophobicContact CD1-CD2 4.36Å; F391-L442 HydrophobicContact CD2-CD2 3.92Å; F391-L442 HydrophobicContact CE1-CD1 3.61Å; F391-L442 HydrophobicContact CE2-CD1 4.42Å; F391-L442 HydrophobicContact CE2-CD2 4.06Å; F391-L442 HydrophobicContact CG-CD1 4.45Å; F391-L442 HydrophobicContact CG-CD2 4.08Å; F391-L442 HydrophobicContact CZ-CD1 3.89Å; F391-L442 HydrophobicContact CZ-CD2 4.36Å; M394-L442 HydrophobicContact CE-CG 4.41Å; M394-L442 HydrophobicContact SD-CB 4.35Å; M394-L442 HydrophobicContact SD-CD2 3.57Å; M394-L442 VanDerWaalsContact SD-CD2 3.57Å; M394-L442 HydrophobicContact SD-CG 3.63Å; L442-V477 HydrophobicContact CD1-CG1 3.71Å; L442-V477 HydrophobicContact CG-CG1 4.15Å; L442-F478 WeakPolarHBondContact CA-O 3.39Å; L442-A479 HydrophobicContact CD1-CB 3.86Å; L442-P564 PolarHBondContact N-O 2.79Å; L442-F566 HydrophobicContact CB-CD2 3.9Å; L442-F566 HydrophobicContact CD2-CD2 3.96Å; L442-F566 HydrophobicContact CD2-CE2 3.95Å
443	G	95.1	Very high	94.4	Very high	2 Å²	2	33.7 Å²	33.7	2%	0.021	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	137.9	-152	175.9	0	0	0	0	0	113.5	Q476 F478	G443-Q476 CarbonylContact C-O 3.57Å; G443-F478 PolarHBondContact N-O 2.84Å; G443-F478 PolarHBondContact O-N 3.05Å
444	E	95.7	Very high	94.5	Very high	23 Å²	23	33.7 Å²	33.7	11%	0.107	17%	0.174	C	C	.	.			trans	-76.9	133.5	-175.6	-60.8	176.4	175.1	0	0	111.9	R446 G471 Q476 P563	E444-R446 HydrophobicContact CB-CG 4.02Å; E444-R446 IonicContact OE2-CZ 3.52Å; E444-R446 IonicContact OE2-NE 3.62Å; E444-R446 PolarHBondContact OE2-NE 3.03Å; E444-R446 IonicContact OE2-NH2 2.72Å; E444-R446 PolarHBondContact OE2-NH2 3.24Å; E444-G471 WeakPolarHBondContact OE1-CA 3.41Å; E444-G471 PolarHBondContact OE1-N 3.4Å; E444-G471 VanDerWaalsContact OE1-N 3.08Å; E444-Q476 WeakPolarHBondContact CA-O 3.46Å; E444-Q476 HydrophobicContact CG-CB 4.06Å; E444-P563 WeakPolarHBondContact O-CD 3.2Å
445	I	97.4	Very high	94.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.16	C	C	.	.			trans	-95.7	105.5	166.4	-64.7	166	0	0	0	107	C452 L453 F478 I480 I486 I527 W560 P563	I445-C452 WeakPolarHBondContact O-CA 3.21Å; I445-L453 HydrophobicContact CB-CB 4.26Å; I445-L453 HydrophobicContact CB-CD1 3.85Å; I445-L453 HydrophobicContact CB-CG 3.96Å; I445-L453 HydrophobicContact CD1-CD1 3.76Å; I445-L453 HydrophobicContact CG1-CD1 4.39Å; I445-L453 HydrophobicContact CG2-CD1 3.75Å; I445-L453 HydrophobicContact CG2-CG 3.93Å; I445-L453 PolarHBondContact O-N 3.12Å; I445-F478 HydrophobicContact CD1-CB 3.7Å; I445-F478 HydrophobicContact CD1-CD1 4.26Å; I445-F478 HydrophobicContact CD1-CG 4.07Å; I445-F478 HydrophobicContact CG1-CB 4.19Å; I445-I480 HydrophobicContact CD1-CD1 4.32Å; I445-I480 HydrophobicContact CD1-CG1 4.4Å; I445-I486 HydrophobicContact CD1-CG2 3.81Å; I445-I527 HydrophobicContact CG2-CD1 3.68Å; I445-W560 HydrophobicContact CG2-CB 4.41Å; I445-W560 HydrophobicContact CG2-CD2 4.35Å; I445-W560 HydrophobicContact CG2-CE3 3.75Å; I445-W560 HydrophobicContact CG2-CZ3 4.41Å; I445-P563 VanDerWaalsContact CG1-CD 3.49Å; I445-P563 HydrophobicContact CG1-CG 4.06Å
446	R	96.7	Very high	94.6	Very high	123 Å²	123	35.1 Å²	35.1	46%	0.464	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	129.2	-169	-51	-169.8	162.3	-176.9	-2.6	111.1	E444 W560 T561	E444-R446 HydrophobicContact CB-CG 4.02Å; E444-R446 IonicContact OE2-CZ 3.52Å; E444-R446 IonicContact OE2-NE 3.62Å; E444-R446 PolarHBondContact OE2-NE 3.03Å; E444-R446 IonicContact OE2-NH2 2.72Å; E444-R446 PolarHBondContact OE2-NH2 3.24Å; R446-W560 CarbonylContact O-C 3.59Å; R446-W560 VanDerWaalsContact O-CA 3.28Å; R446-W560 WeakPolarHBondContact O-CA 3.1Å; R446-T561 PolarHBondContact N-O 2.94Å; R446-T561 PolarHBondContact O-N 2.9Å
447	H	95.5	Very high	94.5	Very high	15 Å²	15	37.1 Å²	37.1	7%	0.069	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	150.3	168.5	-173.7	-105.9	0	0	0	110.7	S449 G450 Q451 I538 Q556 D557 Y559 W560	H447-S449 WeakPolarHBondContact ND1-CB 3.41Å; H447-S449 PolarHBondContact ND1-N 2.83Å; H447-S449 VanDerWaalsContact ND1-N 3.15Å; H447-S449 PolarHBondContact ND1-OG 3.06Å; H447-S449 PolarHBondContact O-N 2.83Å; H447-G450 PolarHBondContact O-N 3.15Å; H447-Q451 WeakPolarHBondContact CA-O 3.37Å; H447-Q451 HydrophobicContact CB-CB 4.34Å; H447-Q451 VanDerWaalsContact CB-O 3.28Å; H447-Q451 WeakPolarHBondContact CB-O 3.03Å; H447-Q451 PolarHBondContact N-O 2.79Å; H447-I538 HydrophobicContact CB-CD1 3.62Å; H447-Q556 PolarHBondContact NE2-O 2.87Å; H447-Q556 VanDerWaalsContact NE2-O 3.16Å; H447-D557 VanDerWaalsContact NE2-C 3.34Å; H447-D557 WeakPolarHBondContact NE2-CA 3.37Å; H447-D557 PolarHBondContact NE2-O 2.88Å; H447-Y559 PolarHBondContact CD2-O 2.77Å; H447-W560 HydrophobicContact CB-CD2 4.44Å; H447-W560 HydrophobicContact CB-CE3 3.79Å; H447-W560 HydrophobicContact CB-CH2 4.08Å; H447-W560 HydrophobicContact CB-CZ3 3.61Å
448	K	88.3	Confident	94.5	Very high	120 Å²	120	37.7 Å²	37.7	52%	0.522	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-24.5	-179.9	-170	172.9	-178	178.3	0	114.2	G450 Q556 Y559	K448-G450 PolarHBondContact O-N 2.99Å; K448-Q556 HydrophobicContact CD-CB 4.18Å; K448-Q556 HydrophobicContact CD-CG 4.05Å; K448-Y559 PolarHBondContact N-O 2.96Å
449	S	90.1	Very high	94.5	Very high	73 Å²	73	43.1 Å²	43.1	51%	0.51	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	1.3	176.6	69.4	0	0	0	0	115	H447 Q451	H447-S449 WeakPolarHBondContact ND1-CB 3.41Å; H447-S449 PolarHBondContact ND1-N 2.83Å; H447-S449 VanDerWaalsContact ND1-N 3.15Å; H447-S449 PolarHBondContact ND1-OG 3.06Å; H447-S449 PolarHBondContact O-N 2.83Å; S449-Q451 VanDerWaalsContact C-N 3.32Å; S449-Q451 WeakPolarHBondContact OG-CG 3.48Å
450	G	91.9	Very high	94.3	Very high	30 Å²	30	47 Å²	47	31%	0.309	24%	0.241	S	C	.	.	S	Bend	trans	79.2	15.2	-174	0	0	0	0	0	114	H447 K448 H468 C469	H447-G450 PolarHBondContact O-N 3.15Å; K448-G450 PolarHBondContact O-N 2.99Å; G450-H468 PolarHBondContact O-ND1 2.96Å; G450-C469 PolarHBondContact O-N 2.91Å; G450-C469 VanDerWaalsContact O-N 3.14Å
451	Q	95	Very high	94.1	Very high	39 Å²	39	46.5 Å²	46.5	18%	0.182	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	148.3	169.2	-62.2	-67	-58.5	0	0	109.7	H447 S449 T467 C469 I538 V545	H447-Q451 WeakPolarHBondContact CA-O 3.37Å; H447-Q451 HydrophobicContact CB-CB 4.34Å; H447-Q451 VanDerWaalsContact CB-O 3.28Å; H447-Q451 WeakPolarHBondContact CB-O 3.03Å; H447-Q451 PolarHBondContact N-O 2.79Å; S449-Q451 VanDerWaalsContact C-N 3.32Å; S449-Q451 WeakPolarHBondContact OG-CG 3.48Å; Q451-T467 CarbonylContact C-O 3.58Å; Q451-T467 WeakPolarHBondContact CA-O 3.36Å; Q451-T467 PolarHBondContact OE1-O 3.25Å; Q451-C469 PolarHBondContact O-SG 2.8Å; Q451-C469 VanDerWaalsContact O-SG 3.36Å; Q451-I538 HydrophobicContact CB-CD1 3.72Å; Q451-I538 HydrophobicContact CG-CD1 4.33Å; Q451-V545 HydrophobicContact CG-CG2 4.47Å
452	C	97	Very high	94	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	150.5	177.5	-86	0	0	0	0	109.6	I445 V466 T467 C469 Q476	I445-C452 WeakPolarHBondContact O-CA 3.21Å; C452-V466 WeakPolarHBondContact O-CA 3.19Å; C452-T467 PolarHBondContact N-O 2.94Å; C452-T467 PolarHBondContact O-N 3.46Å; C452-C469 VanDerWaalsContact CA-SG 3.56Å; C452-C469 HydrophobicContact CB-CB 4Å; C452-C469 WeakPolarHBondContact CB-SG 3.46Å; C452-C469 PolarHBondContact N-SG 3.39Å; C452-C469 WeakPolarHBondContact SG-CA 3.28Å; C452-C469 WeakPolarHBondContact SG-CB 3.47Å; C452-C469 CovalentContact SG-SG 2.04Å; C452-C469 PolarHBondContact SG-SG 3.17Å; C452-Q476 HydrophobicContact CB-CG 4.41Å
453	L	96.9	Very high	94	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	139.5	163.2	-66.3	-170.5	0	0	0	109.3	I445 V466 F478 L536 L547 W560	I445-L453 HydrophobicContact CB-CB 4.26Å; I445-L453 HydrophobicContact CB-CD1 3.85Å; I445-L453 HydrophobicContact CB-CG 3.96Å; I445-L453 HydrophobicContact CD1-CD1 3.76Å; I445-L453 HydrophobicContact CG1-CD1 4.39Å; I445-L453 HydrophobicContact CG2-CD1 3.75Å; I445-L453 HydrophobicContact CG2-CG 3.93Å; I445-L453 PolarHBondContact O-N 3.12Å; L453-V466 HydrophobicContact CD2-CG1 3.81Å; L453-F478 VanDerWaalsContact C-CE2 3.44Å; L453-F478 HydrophobicContact CB-CD2 4.18Å; L453-F478 HydrophobicContact CB-CE1 4.07Å; L453-F478 HydrophobicContact CB-CE2 3.67Å; L453-F478 HydrophobicContact CB-CZ 3.6Å; L453-F478 HydrophobicContact CD1-CE1 4.32Å; L453-F478 VanDerWaalsContact O-CE2 3.22Å; L453-F478 WeakPolarHBondContact O-CE2 3.47Å; L453-L536 HydrophobicContact CD1-CD2 4.13Å; L453-L536 HydrophobicContact CD2-CD2 4.26Å; L453-L547 HydrophobicContact CD2-CD1 3.64Å; L453-L547 HydrophobicContact CD2-CD2 3.57Å; L453-L547 HydrophobicContact CD2-CG 4.25Å; L453-W560 HydrophobicContact CD2-CH2 3.63Å; L453-W560 HydrophobicContact CD2-CZ3 3.69Å; L453-W560 HydrophobicContact CG-CH2 4.33Å; L453-W560 HydrophobicContact CG-CZ3 3.89Å
454	D	96.2	Very high	93.9	Very high	9 Å²	9	50.7 Å²	50.7	5%	0.048	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	135.7	-174.8	-158.8	-48.6	0	0	0	109.6	L456 G465 T467 H470 N475 Q476	D454-L456 VanDerWaalsContact C-N 3.27Å; D454-L456 HydrophobicContact CB-CD2 4.07Å; D454-L456 HydrophobicContact CB-CG 4.45Å; D454-L456 WeakPolarHBondContact OD1-CA 3.4Å; D454-L456 PolarHBondContact OD1-N 3.11Å; D454-G465 PolarHBondContact N-O 2.85Å; D454-G465 CarbonylContact O-C 3.52Å; D454-G465 WeakPolarHBondContact O-CA 3.11Å; D454-G465 PolarHBondContact O-N 3.46Å; D454-T467 HydrophobicContact CB-CG2 3.95Å; D454-T467 PolarHBondContact OD2-OG1 3.44Å; D454-H470 IonicContact OD2-NE2 3.75Å; D454-N475 VanDerWaalsContact OD1-CB 3.24Å; D454-N475 WeakPolarHBondContact OD1-CB 3.42Å; D454-Q476 HydrophobicContact CB-CG 4.28Å; D454-Q476 WeakPolarHBondContact OD2-CG 3.44Å; D454-Q476 PolarHBondContact OD2-NE2 3.16Å
455	S	94.9	Very high	93.9	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.279	C	S	.	.			trans	-75.3	-15.7	172.8	55.1	0	0	0	0	113.3	G457 H458 N475	S455-G457 PolarHBondContact O-N 3.33Å; S455-H458 WeakPolarHBondContact O-CB 3.44Å; S455-H458 PolarHBondContact O-N 2.04Å; S455-N475 PolarHBondContact N-O 2.86Å; S455-N475 VanDerWaalsContact OG-CA 3.27Å; S455-N475 WeakPolarHBondContact OG-CA 3.49Å; S455-N475 WeakPolarHBondContact OG-CB 3.47Å; S455-N475 PolarHBondContact OG-O 3.31Å; S455-N475 VanDerWaalsContact OG-O 3.06Å; S455-N475 PolarHBondContact OG-OD1 3.41Å
456	L	93.3	Very high	93.7	Very high	72 Å²	72	50.8 Å²	50.8	38%	0.377	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	14.6	-178.5	-55.4	176.9	0	0	0	114.2	D454 H458 T467	D454-L456 VanDerWaalsContact C-N 3.27Å; D454-L456 HydrophobicContact CB-CD2 4.07Å; D454-L456 HydrophobicContact CB-CG 4.45Å; D454-L456 WeakPolarHBondContact OD1-CA 3.4Å; D454-L456 PolarHBondContact OD1-N 3.11Å; L456-H458 VanDerWaalsContact CD1-CE1 3.49Å; L456-H458 WeakPolarHBondContact CD1-CE1 3.38Å; L456-H458 PolarHBondContact O-N 2.73Å; L456-T467 HydrophobicContact CD2-CG2 3.28Å
457	G	91.6	Very high	93.7	Very high	44 Å²	44	46.7 Å²	46.7	45%	0.454	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.3	12.5	-168.5	0	0	0	0	0	113.7	S455 N475	S455-G457 PolarHBondContact O-N 3.33Å; G457-N475 PolarHBondContact N-ND2 3.36Å
458	H	94.2	Very high	93.6	Very high	49 Å²	49	52 Å²	52	23%	0.227	30%	0.297	C	S	.	.			trans	-70	151.5	176.2	-68	170	0	0	0	111.9	S455 L456 E462 T463 A490 F508	S455-H458 WeakPolarHBondContact O-CB 3.44Å; S455-H458 PolarHBondContact O-N 2.04Å; L456-H458 VanDerWaalsContact CD1-CE1 3.49Å; L456-H458 WeakPolarHBondContact CD1-CE1 3.38Å; L456-H458 PolarHBondContact O-N 2.73Å; H458-E462 VanDerWaalsContact CA-OE2 3.24Å; H458-E462 WeakPolarHBondContact CA-OE2 3.08Å; H458-E462 HydrophobicContact CB-CB 3.66Å; H458-E462 WeakPolarHBondContact CB-OE2 3.5Å; H458-E462 IonicContact CG-OE2 2.94Å; H458-T463 PolarHBondContact ND1-O 2.72Å; H458-A490 WeakPolarHBondContact O-CB 3.49Å; H458-F508 HydrophobicContact CB-CD2 4.43Å; H458-F508 HydrophobicContact CB-CE2 4.47Å
459	K	91.4	Very high	94	Very high	158 Å²	158	47.2 Å²	47.2	69%	0.687	28%	0.279	S	S	*	.			trans	-100.4	-178.3	-178.5	-59.9	-178.5	-178	-179.2	0	111.2	G461 E462	K459-G461 PolarHBondContact O-N 3.01Å; K459-E462 PolarHBondContact N-OE2 2.92Å; K459-E462 WeakPolarHBondContact O-CB 3.25Å; K459-E462 PolarHBondContact O-N 3.45Å; K459-E462 VanDerWaalsContact O-N 3.15Å
460	L	92.1	Very high	94.1	Very high	94 Å²	94	47.2 Å²	47.2	49%	0.492	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	135	169.8	-65.2	-179.3	0	0	0	111.3	E462 A490 F508	L460-E462 VanDerWaalsContact C-N 3.33Å; L460-A490 WeakPolarHBondContact CD2-O 3.22Å; L460-A490 WeakPolarHBondContact CG-O 3.17Å; L460-F508 HydrophobicContact CD2-CB 4.4Å
461	G	92	Very high	94	Very high	57 Å²	57	48.4 Å²	48.4	59%	0.588	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	91	-15.6	-176.6	0	0	0	0	0	114.4	K459 F508	K459-G461 PolarHBondContact O-N 3.01Å; G461-F508 PolarHBondContact N-O 3.01Å
462	E	94.4	Very high	93.7	Very high	89 Å²	89	53.1 Å²	53.1	42%	0.416	30%	0.304	S	S	.	.	S	Bend	trans	-96.9	164.9	-177.6	-66.1	-176	129.5	0	0	112.3	H458 K459 L460 V507 F508	H458-E462 VanDerWaalsContact CA-OE2 3.24Å; H458-E462 WeakPolarHBondContact CA-OE2 3.08Å; H458-E462 HydrophobicContact CB-CB 3.66Å; H458-E462 WeakPolarHBondContact CB-OE2 3.5Å; H458-E462 IonicContact CG-OE2 2.94Å; K459-E462 PolarHBondContact N-OE2 2.92Å; K459-E462 WeakPolarHBondContact O-CB 3.25Å; K459-E462 PolarHBondContact O-N 3.45Å; K459-E462 VanDerWaalsContact O-N 3.15Å; L460-E462 VanDerWaalsContact C-N 3.33Å; E462-V507 CarbonylContact O-C 3.52Å; E462-V507 WeakPolarHBondContact O-CA 3.25Å; E462-V507 WeakPolarHBondContact O-CB 3.3Å; E462-F508 PolarHBondContact O-N 2.87Å
463	T	93.4	Very high	93.3	Very high	62 Å²	62	53.6 Å²	53.6	38%	0.38	31%	0.309	S	S	.	.	B	Isolated β-bridge	trans	-79.8	143.9	-167	60.2	0	0	0	0	113.6	H458 I505 L506 V507	H458-T463 PolarHBondContact ND1-O 2.72Å; T463-I505 HydrophobicContact CG2-CG2 3.44Å; T463-I505 VanDerWaalsContact CG2-CG2 3.44Å; T463-L506 CarbonylContact C-O 3.47Å; T463-L506 VanDerWaalsContact CA-O 3.25Å; T463-L506 WeakPolarHBondContact CA-O 3.4Å; T463-V507 HydrophobicContact CG2-CG1 4.38Å
464	V	94.8	Very high	93	Very high	8 Å²	8	54.5 Å²	54.5	5%	0.048	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-73.9	129.5	168.1	-171	0	0	0	0	109.7	F478 M493 L506 F508 L547	V464-F478 HydrophobicContact CG1-CE1 4.44Å; V464-F478 HydrophobicContact CG1-CZ 4.47Å; V464-M493 HydrophobicContact CB-SD 4.28Å; V464-M493 HydrophobicContact CG1-SD 3.97Å; V464-M493 HydrophobicContact CG2-CB 4.32Å; V464-M493 HydrophobicContact CG2-CG 3.78Å; V464-M493 HydrophobicContact CG2-SD 4.05Å; V464-L506 HydrophobicContact CB-CB 4.1Å; V464-L506 HydrophobicContact CG2-CB 4.05Å; V464-L506 PolarHBondContact N-O 3.41Å; V464-F508 HydrophobicContact CB-CE1 4.43Å; V464-F508 HydrophobicContact CB-CE2 4.45Å; V464-F508 HydrophobicContact CB-CZ 4.08Å; V464-F508 HydrophobicContact CG1-CE1 4.28Å; V464-F508 HydrophobicContact CG1-CZ 3.89Å; V464-F508 HydrophobicContact CG2-CD1 3.89Å; V464-F508 HydrophobicContact CG2-CD2 4.29Å; V464-F508 HydrophobicContact CG2-CE1 3.53Å; V464-F508 HydrophobicContact CG2-CE2 3.98Å; V464-F508 HydrophobicContact CG2-CG 4.25Å; V464-F508 HydrophobicContact CG2-CZ 3.6Å; V464-L547 HydrophobicContact CB-CD2 3.99Å; V464-L547 HydrophobicContact CG1-CD2 3.76Å
465	G	94.2	Very high	92.9	Very high	8 Å²	8	56.9 Å²	56.9	8%	0.082	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	177.3	-176	0	0	0	0	0	113.9	D454	D454-G465 PolarHBondContact N-O 2.85Å; D454-G465 CarbonylContact O-C 3.52Å; D454-G465 WeakPolarHBondContact O-CA 3.11Å; D454-G465 PolarHBondContact O-N 3.46Å
466	V	95	Very high	92.9	Very high	16 Å²	16	56.9 Å²	56.9	10%	0.097	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	140.1	165.2	-74.9	0	0	0	0	109.3	C452 L453 I538 V545 L547 W560	C452-V466 WeakPolarHBondContact O-CA 3.19Å; L453-V466 HydrophobicContact CD2-CG1 3.81Å; V466-I538 HydrophobicContact CB-CD1 4.17Å; V466-I538 HydrophobicContact CG1-CD1 3.81Å; V466-I538 HydrophobicContact CG1-CG1 4.21Å; V466-I538 HydrophobicContact CG2-CD1 4.21Å; V466-V545 HydrophobicContact CG2-CB 4.23Å; V466-V545 HydrophobicContact CG2-CG2 3.79Å; V466-L547 HydrophobicContact CG1-CB 4.21Å; V466-L547 HydrophobicContact CG1-CD1 3.9Å; V466-L547 HydrophobicContact CG1-CG 4.48Å; V466-W560 HydrophobicContact CG1-CH2 4.16Å
467	T	94.7	Very high	93	Very high	37 Å²	37	53.5 Å²	53.5	23%	0.227	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	177.2	174.4	67.9	0	0	0	0	109.8	Q451 C452 D454 L456 C469 Q476	Q451-T467 CarbonylContact C-O 3.58Å; Q451-T467 WeakPolarHBondContact CA-O 3.36Å; Q451-T467 PolarHBondContact OE1-O 3.25Å; C452-T467 PolarHBondContact N-O 2.94Å; C452-T467 PolarHBondContact O-N 3.46Å; D454-T467 HydrophobicContact CB-CG2 3.95Å; D454-T467 PolarHBondContact OD2-OG1 3.44Å; L456-T467 HydrophobicContact CD2-CG2 3.28Å; T467-C469 PolarHBondContact O-N 2.67Å; T467-Q476 PolarHBondContact OG1-NE2 3.22Å
468	H	94.7	Very high	93.3	Very high	126 Å²	126	51.4 Å²	51.4	58%	0.583	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.2	135.2	172.3	178.9	54.3	0	0	0	110.9	G450 H470 Q476	G450-H468 PolarHBondContact O-ND1 2.96Å; H468-H470 PolarHBondContact O-N 2.91Å; H468-Q476 PolarHBondContact O-NE2 3.25Å
469	C	95.6	Very high	93.4	Very high	21 Å²	21	49 Å²	49	14%	0.142	28%	0.282	C	S	.	.			trans	-62.7	108.2	174.1	-64.7	0	0	0	0	110.4	G450 Q451 C452 T467	G450-C469 PolarHBondContact O-N 2.91Å; G450-C469 VanDerWaalsContact O-N 3.14Å; Q451-C469 PolarHBondContact O-SG 2.8Å; Q451-C469 VanDerWaalsContact O-SG 3.36Å; C452-C469 VanDerWaalsContact CA-SG 3.56Å; C452-C469 HydrophobicContact CB-CB 4Å; C452-C469 WeakPolarHBondContact CB-SG 3.46Å; C452-C469 PolarHBondContact N-SG 3.39Å; C452-C469 WeakPolarHBondContact SG-CA 3.28Å; C452-C469 WeakPolarHBondContact SG-CB 3.47Å; C452-C469 CovalentContact SG-SG 2.04Å; C452-C469 PolarHBondContact SG-SG 3.17Å; T467-C469 PolarHBondContact O-N 2.67Å
470	H	92.8	Very high	93.7	Very high	72 Å²	72	41.5 Å²	41.5	33%	0.333	25%	0.249	S	C	.	.			trans	-100	-11.9	-172.6	54.4	72.8	0	0	0	113.7	D454 H468 Q472 G473 Q476	D454-H470 IonicContact OD2-NE2 3.75Å; H468-H470 PolarHBondContact O-N 2.91Å; H470-Q472 HydrophobicContact CB-CG 4.5Å; H470-Q472 WeakPolarHBondContact ND1-CB 2.99Å; H470-Q472 PolarHBondContact ND1-N 3.45Å; H470-Q472 PolarHBondContact O-N 3.13Å; H470-G473 PolarHBondContact CE1-O 3.17Å; H470-Q476 PolarHBondContact CD2-NE2 2.95Å; H470-Q476 PolarHBondContact CD2-OE1 3.12Å; H470-Q476 VanDerWaalsContact N-OE1 3.13Å; H470-Q476 VanDerWaalsContact NE2-CG 3.34Å; H470-Q476 WeakPolarHBondContact NE2-CG 3.46Å; H470-Q476 PolarHBondContact NE2-NE2 3.14Å; H470-Q476 PolarHBondContact NE2-OE1 2.86Å
471	G	89.6	Confident	93.9	Very high	55 Å²	55	37.1 Å²	37.1	57%	0.567	23%	0.226	S	C	*	.	S	Bend	trans	72.1	8.9	175.8	0	0	0	0	0	114.5	E444	E444-G471 WeakPolarHBondContact OE1-CA 3.41Å; E444-G471 PolarHBondContact OE1-N 3.4Å; E444-G471 VanDerWaalsContact OE1-N 3.08Å
472	Q	89.1	Confident	94	Very high	138 Å²	138	41.9 Å²	41.9	65%	0.645	23%	0.233	S	C	*	.			trans	-101.4	9.9	-176.3	-53.6	176	-32.7	0	0	112.4	P397 H470 G474	P397-Q472 VanDerWaalsContact CG-O 3.27Å; P397-Q472 WeakPolarHBondContact CG-O 3.36Å; H470-Q472 HydrophobicContact CB-CG 4.5Å; H470-Q472 WeakPolarHBondContact ND1-CB 2.99Å; H470-Q472 PolarHBondContact ND1-N 3.45Å; H470-Q472 PolarHBondContact O-N 3.13Å; Q472-G474 PolarHBondContact O-N 3.13Å
473	G	89.1	Confident	93.9	Very high	10 Å²	10	39.7 Å²	39.7	10%	0.103	23%	0.227	C	C	.	.			trans	61	-130.2	-179.5	0	0	0	0	0	112.9	M394 H470 N475 Q476	M394-G473 VanDerWaalsContact O-CA 3.27Å; M394-G473 WeakPolarHBondContact O-CA 3.41Å; H470-G473 PolarHBondContact CE1-O 3.17Å; G473-N475 PolarHBondContact O-N 2.66Å; G473-N475 VanDerWaalsContact O-N 3.1Å; G473-Q476 PolarHBondContact O-N 3.22Å
474	G	90.2	Very high	94	Very high	20 Å²	20	37 Å²	37	21%	0.206	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	56.3	-113.4	-178.4	0	0	0	0	0	112.8	M394 Q472 Q476 V477	M394-G474 PolarHBondContact O-N 3.13Å; M394-G474 VanDerWaalsContact O-N 3.16Å; Q472-G474 PolarHBondContact O-N 3.13Å; G474-Q476 PolarHBondContact O-N 3.29Å; G474-V477 PolarHBondContact O-N 2.86Å; G474-V477 VanDerWaalsContact O-N 3.15Å
475	N	94	Very high	94.1	Very high	58 Å²	58	36.7 Å²	36.7	31%	0.31	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-66.9	-14.8	-176.9	-70.5	-16.5	0	0	0	114.8	D454 S455 G457 G473	D454-N475 VanDerWaalsContact OD1-CB 3.24Å; D454-N475 WeakPolarHBondContact OD1-CB 3.42Å; S455-N475 PolarHBondContact N-O 2.86Å; S455-N475 VanDerWaalsContact OG-CA 3.27Å; S455-N475 WeakPolarHBondContact OG-CA 3.49Å; S455-N475 WeakPolarHBondContact OG-CB 3.47Å; S455-N475 PolarHBondContact OG-O 3.31Å; S455-N475 VanDerWaalsContact OG-O 3.06Å; S455-N475 PolarHBondContact OG-OD1 3.41Å; G457-N475 PolarHBondContact N-ND2 3.36Å; G473-N475 PolarHBondContact O-N 2.66Å; G473-N475 VanDerWaalsContact O-N 3.1Å
476	Q	95.6	Very high	94.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-98.6	9.4	177.2	-62.3	-171.6	-19	0	0	113.2	G443 E444 C452 D454 T467 H468 H470 G473 G474 F478	G443-Q476 CarbonylContact C-O 3.57Å; E444-Q476 WeakPolarHBondContact CA-O 3.46Å; E444-Q476 HydrophobicContact CG-CB 4.06Å; C452-Q476 HydrophobicContact CB-CG 4.41Å; D454-Q476 HydrophobicContact CB-CG 4.28Å; D454-Q476 WeakPolarHBondContact OD2-CG 3.44Å; D454-Q476 PolarHBondContact OD2-NE2 3.16Å; T467-Q476 PolarHBondContact OG1-NE2 3.22Å; H468-Q476 PolarHBondContact O-NE2 3.25Å; H470-Q476 PolarHBondContact CD2-NE2 2.95Å; H470-Q476 PolarHBondContact CD2-OE1 3.12Å; H470-Q476 VanDerWaalsContact N-OE1 3.13Å; H470-Q476 VanDerWaalsContact NE2-CG 3.34Å; H470-Q476 WeakPolarHBondContact NE2-CG 3.46Å; H470-Q476 PolarHBondContact NE2-NE2 3.14Å; H470-Q476 PolarHBondContact NE2-OE1 2.86Å; G473-Q476 PolarHBondContact O-N 3.22Å; G474-Q476 PolarHBondContact O-N 3.29Å; Q476-F478 PolarHBondContact O-N 2.59Å
477	V	95.3	Very high	94.3	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.006	21%	0.207	C	C	.	.			trans	-89.4	104.8	175.2	-176.7	0	0	0	0	110	M394 L395 L442 G474	M394-V477 HydrophobicContact CB-CG1 4.01Å; M394-V477 HydrophobicContact CB-CG2 3.82Å; M394-V477 WeakPolarHBondContact O-CG2 3.32Å; L395-V477 HydrophobicContact CD1-CB 3.73Å; L395-V477 HydrophobicContact CD1-CG1 3.69Å; L395-V477 HydrophobicContact CD1-CG2 4.06Å; L442-V477 HydrophobicContact CD1-CG1 3.71Å; L442-V477 HydrophobicContact CG-CG1 4.15Å; G474-V477 PolarHBondContact O-N 2.86Å; G474-V477 VanDerWaalsContact O-N 3.15Å
478	F	96.8	Very high	94.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	135.3	176.3	-72.1	-106.9	0	0	0	110.5	L442 G443 I445 L453 V464 Q476 I486 R487 V488 F508	L442-F478 WeakPolarHBondContact CA-O 3.39Å; G443-F478 PolarHBondContact N-O 2.84Å; G443-F478 PolarHBondContact O-N 3.05Å; I445-F478 HydrophobicContact CD1-CB 3.7Å; I445-F478 HydrophobicContact CD1-CD1 4.26Å; I445-F478 HydrophobicContact CD1-CG 4.07Å; I445-F478 HydrophobicContact CG1-CB 4.19Å; L453-F478 VanDerWaalsContact C-CE2 3.44Å; L453-F478 HydrophobicContact CB-CD2 4.18Å; L453-F478 HydrophobicContact CB-CE1 4.07Å; L453-F478 HydrophobicContact CB-CE2 3.67Å; L453-F478 HydrophobicContact CB-CZ 3.6Å; L453-F478 HydrophobicContact CD1-CE1 4.32Å; L453-F478 VanDerWaalsContact O-CE2 3.22Å; L453-F478 WeakPolarHBondContact O-CE2 3.47Å; V464-F478 HydrophobicContact CG1-CE1 4.44Å; V464-F478 HydrophobicContact CG1-CZ 4.47Å; Q476-F478 PolarHBondContact O-N 2.59Å; F478-I486 HydrophobicContact CD1-CG2 3.58Å; F478-I486 HydrophobicContact CE1-CG2 4.3Å; F478-I486 HydrophobicContact CG-CG2 4.48Å; F478-R487 CarbonylContact C-O 3.47Å; F478-R487 VanDerWaalsContact CA-O 3.25Å; F478-R487 WeakPolarHBondContact CA-O 3.23Å; F478-V488 HydrophobicContact CB-CG1 4.46Å; F478-V488 HydrophobicContact CD1-CG1 3.22Å; F478-V488 HydrophobicContact CD2-CG1 3.82Å; F478-V488 HydrophobicContact CE1-CG1 3.15Å; F478-V488 HydrophobicContact CE2-CG1 3.71Å; F478-V488 HydrophobicContact CG-CG1 3.58Å; F478-V488 HydrophobicContact CZ-CG1 3.39Å; F478-F508 HydrophobicContact CE1-CE1 4.41Å
479	A	96.9	Very high	94	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	127.6	170.9	0	0	0	0	0	109.8	W272 F391 P436 V439 R441 L442 R487	W272-A479 HydrophobicContact CH2-CB 3.87Å; W272-A479 HydrophobicContact CZ2-CB 4.41Å; F391-A479 HydrophobicContact CE1-CB 3.88Å; F391-A479 HydrophobicContact CZ-CB 4.07Å; P436-A479 HydrophobicContact CG-CB 3.97Å; V439-A479 HydrophobicContact CG2-CB 4.22Å; R441-A479 WeakPolarHBondContact O-CA 3.4Å; L442-A479 HydrophobicContact CD1-CB 3.86Å; A479-R487 HydrophobicContact CB-CB 4.42Å; A479-R487 PolarHBondContact N-O 3.32Å; A479-R487 PolarHBondContact O-N 2.66Å
480	I	97.2	Very high	93.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	131.2	169.4	-57.1	175.7	0	0	0	107.7	I440 R441 I445 T485 I486 F522 L562 P563	I440-I480 HydrophobicContact CD1-CG2 3.85Å; I440-I480 HydrophobicContact CG1-CB 4.17Å; I440-I480 HydrophobicContact CG1-CG2 3.9Å; I440-I480 WeakPolarHBondContact CG1-O 3.38Å; I440-I480 PolarHBondContact N-O 3.33Å; R441-I480 HydrophobicContact CB-CB 4.13Å; R441-I480 HydrophobicContact CB-CD1 4.31Å; R441-I480 HydrophobicContact CB-CG1 4.45Å; R441-I480 PolarHBondContact N-O 2.79Å; R441-I480 PolarHBondContact O-N 2.89Å; I445-I480 HydrophobicContact CD1-CD1 4.32Å; I445-I480 HydrophobicContact CD1-CG1 4.4Å; I480-T485 WeakPolarHBondContact CA-O 2.98Å; I480-I486 HydrophobicContact CG1-CG1 4.43Å; I480-F522 HydrophobicContact CB-CZ 4.42Å; I480-F522 HydrophobicContact CD1-CD1 4.48Å; I480-F522 HydrophobicContact CD1-CE1 3.76Å; I480-F522 HydrophobicContact CD1-CZ 3.92Å; I480-F522 HydrophobicContact CG1-CE1 4.44Å; I480-F522 HydrophobicContact CG1-CZ 4.16Å; I480-F522 HydrophobicContact CG2-CD2 4.34Å; I480-F522 HydrophobicContact CG2-CE1 4.29Å; I480-F522 HydrophobicContact CG2-CE2 3.45Å; I480-F522 VanDerWaalsContact CG2-CE2 3.45Å; I480-F522 HydrophobicContact CG2-CZ 3.42Å; I480-F522 VanDerWaalsContact CG2-CZ 3.42Å; I480-L562 HydrophobicContact CD1-CB 4.4Å; I480-L562 HydrophobicContact CD1-CD2 4.06Å; I480-P563 HydrophobicContact CD1-CG 3.98Å; I480-P563 HydrophobicContact CG1-CG 4.4Å
481	T	95.8	Very high	93.7	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.006	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	160.6	179.8	71.8	0	0	0	0	112.7	P436 D438 S483 G484 T485 R487	P436-T481 HydrophobicContact CB-CG2 3.5Å; P436-T481 VanDerWaalsContact CB-CG2 3.5Å; P436-T481 HydrophobicContact CG-CG2 3.92Å; D438-T481 CarbonylContact O-C 3.45Å; D438-T481 VanDerWaalsContact O-CA 3.24Å; D438-T481 WeakPolarHBondContact O-CA 3.46Å; D438-T481 WeakPolarHBondContact OD2-CB 3.42Å; T481-S483 PolarHBondContact O-N 2.94Å; T481-S483 PolarHBondContact OG1-OG 3.45Å; T481-G484 WeakPolarHBondContact O-CA 3.09Å; T481-G484 PolarHBondContact O-N 2.92Å; T481-T485 VanDerWaalsContact CG2-OG1 3.23Å; T481-T485 WeakPolarHBondContact CG2-OG1 3.47Å; T481-T485 PolarHBondContact N-O 2.83Å; T481-T485 PolarHBondContact OG1-N 3.37Å; T481-T485 PolarHBondContact OG1-OG1 2.84Å; T481-R487 HydrophobicContact CG2-CG 4.37Å
482	E	94.6	Very high	93.9	Very high	157 Å²	157	26.8 Å²	26.8	73%	0.734	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-38.2	174.8	-172.7	175.2	-171.9	0	0	111.8	D438 I440 G484	D438-E482 HydrophobicContact CB-CB 4.03Å; D438-E482 PolarHBondContact O-N 3.4Å; I440-E482 HydrophobicContact CG2-CB 4.08Å; E482-G484 PolarHBondContact O-N 2.03Å; E482-G484 VanDerWaalsContact O-N 3.1Å
483	S	92.7	Very high	94.3	Very high	43 Å²	43	20.2 Å²	20.2	30%	0.301	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-7.5	173.4	49.1	0	0	0	0	114.5	D438 T481 K519	D438-S483 PolarHBondContact OD2-N 3.2Å; D438-S483 PolarHBondContact OD2-OG 2.89Å; T481-S483 PolarHBondContact O-N 2.94Å; T481-S483 PolarHBondContact OG1-OG 3.45Å; S483-K519 WeakPolarHBondContact O-CD 3.43Å
484	G	95.8	Very high	94.6	Very high	6 Å²	6	19.8 Å²	19.8	6%	0.062	11%	0.112	C	C	.	.			trans	85.1	21.5	178.6	0	0	0	0	0	114.1	T481 E482 F520	T481-G484 WeakPolarHBondContact O-CA 3.09Å; T481-G484 PolarHBondContact O-N 2.92Å; E482-G484 PolarHBondContact O-N 2.03Å; E482-G484 VanDerWaalsContact O-N 3.1Å; G484-F520 PolarHBondContact O-N 3.34Å
485	T	96.9	Very high	94.7	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.006	10%	0.104	C	C	.	.			trans	-86.1	147	173.2	64.1	0	0	0	0	110.8	I480 T481 R487 K519	I480-T485 WeakPolarHBondContact CA-O 2.98Å; T481-T485 VanDerWaalsContact CG2-OG1 3.23Å; T481-T485 WeakPolarHBondContact CG2-OG1 3.47Å; T481-T485 PolarHBondContact N-O 2.83Å; T481-T485 PolarHBondContact OG1-N 3.37Å; T481-T485 PolarHBondContact OG1-OG1 2.84Å; T485-R487 PolarHBondContact OG1-NE 2.79Å; T485-R487 PolarHBondContact OG1-NH2 2.84Å; T485-K519 HydrophobicContact CG2-CD 3.74Å
486	I	97.4	Very high	94.4	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	114.7	172.8	-64.9	170.8	0	0	0	107	I445 F478 I480 M493 F520 F522 I527	I445-I486 HydrophobicContact CD1-CG2 3.81Å; F478-I486 HydrophobicContact CD1-CG2 3.58Å; F478-I486 HydrophobicContact CE1-CG2 4.3Å; F478-I486 HydrophobicContact CG-CG2 4.48Å; I480-I486 HydrophobicContact CG1-CG1 4.43Å; I486-M493 HydrophobicContact CB-CB 4.34Å; I486-M493 HydrophobicContact CB-CE 4.02Å; I486-M493 HydrophobicContact CD1-CE 3.47Å; I486-M493 VanDerWaalsContact CD1-CE 3.47Å; I486-M493 HydrophobicContact CG1-CE 4.31Å; I486-M493 HydrophobicContact CG2-CB 4.43Å; I486-M493 HydrophobicContact CG2-CE 4.03Å; I486-M493 PolarHBondContact O-N 3.29Å; I486-F520 HydrophobicContact CB-CD2 4.38Å; I486-F520 HydrophobicContact CD1-CB 4.07Å; I486-F520 HydrophobicContact CD1-CD1 4.33Å; I486-F520 HydrophobicContact CD1-CD2 3.83Å; I486-F520 HydrophobicContact CD1-CE2 4.41Å; I486-F520 HydrophobicContact CD1-CG 3.8Å; I486-F520 HydrophobicContact CG1-CD2 4.02Å; I486-F520 HydrophobicContact CG1-CG 4.4Å; I486-F522 HydrophobicContact CD1-CE1 3.91Å; I486-F522 HydrophobicContact CD1-CZ 3.85Å; I486-F522 HydrophobicContact CG1-CE1 4.27Å; I486-F522 HydrophobicContact CG1-CZ 3.77Å; I486-I527 HydrophobicContact CD1-CG2 3.8Å
487	R	95.4	Very high	93.7	Very high	33 Å²	33	22.1 Å²	22.1	13%	0.125	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	149.4	-170.9	-44.9	-166	178.9	-179.9	5	112	W272 F478 A479 T481 T485 G491	W272-R487 HydrophobicContact CH2-CB 4.43Å; W272-R487 HydrophobicContact CZ2-CB 4.45Å; F478-R487 CarbonylContact C-O 3.47Å; F478-R487 VanDerWaalsContact CA-O 3.25Å; F478-R487 WeakPolarHBondContact CA-O 3.23Å; A479-R487 HydrophobicContact CB-CB 4.42Å; A479-R487 PolarHBondContact N-O 3.32Å; A479-R487 PolarHBondContact O-N 2.66Å; T481-R487 HydrophobicContact CG2-CG 4.37Å; T485-R487 PolarHBondContact OG1-NE 2.79Å; T485-R487 PolarHBondContact OG1-NH2 2.84Å; R487-G491 WeakPolarHBondContact CA-O 3.36Å
488	V	94.3	Very high	92.6	Very high	4 Å²	4	25.2 Å²	25.2	2%	0.024	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	175.5	166.1	-65.4	0	0	0	0	109	W272 F478 A490 G491 F508	W272-V488 VanDerWaalsContact CH2-C 3.49Å; F478-V488 HydrophobicContact CB-CG1 4.46Å; F478-V488 HydrophobicContact CD1-CG1 3.22Å; F478-V488 HydrophobicContact CD2-CG1 3.82Å; F478-V488 HydrophobicContact CE1-CG1 3.15Å; F478-V488 HydrophobicContact CE2-CG1 3.71Å; F478-V488 HydrophobicContact CG-CG1 3.58Å; F478-V488 HydrophobicContact CZ-CG1 3.39Å; V488-A490 HydrophobicContact CG2-CB 4.02Å; V488-A490 PolarHBondContact O-N 3.15Å; V488-A490 VanDerWaalsContact O-N 3.11Å; V488-G491 PolarHBondContact N-O 2.99Å; V488-G491 PolarHBondContact O-N 3.03Å; V488-F508 HydrophobicContact CB-CE1 4.41Å; V488-F508 HydrophobicContact CG1-CE1 4.26Å; V488-F508 HydrophobicContact CG2-CD1 3.66Å; V488-F508 HydrophobicContact CG2-CE1 3.26Å; V488-F508 HydrophobicContact CG2-CE2 4.45Å; V488-F508 HydrophobicContact CG2-CG 4.42Å; V488-F508 HydrophobicContact CG2-CZ 3.7Å
489	H	89	Confident	90.9	Very high	58 Å²	58	32.8 Å²	32.8	27%	0.269	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-33.8	175.7	73.5	-87	0	0	0	113.4	W272 L395	W272-H489 HydrophobicContact CB-CB 4.46Å; W272-H489 HydrophobicContact CD2-CB 4.16Å; W272-H489 HydrophobicContact CE3-CB 3.99Å; W272-H489 HydrophobicContact CG-CB 4.38Å; L395-H489 HydrophobicContact CD2-CB 4.06Å
490	A	87.3	Confident	89	Confident	21 Å²	21	36 Å²	36	17%	0.174	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-25.2	179.5	0	0	0	0	0	114.5	H458 L460 V488	H458-A490 WeakPolarHBondContact O-CB 3.49Å; L460-A490 WeakPolarHBondContact CD2-O 3.22Å; L460-A490 WeakPolarHBondContact CG-O 3.17Å; V488-A490 HydrophobicContact CG2-CB 4.02Å; V488-A490 PolarHBondContact O-N 3.15Å; V488-A490 VanDerWaalsContact O-N 3.11Å
491	G	93.8	Very high	86.8	Confident	10 Å²	10	40.3 Å²	40.3	10%	0.103	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	152.3	-163.8	-175.6	0	0	0	0	0	114.9	R487 V488	R487-G491 WeakPolarHBondContact CA-O 3.36Å; V488-G491 PolarHBondContact N-O 2.99Å; V488-G491 PolarHBondContact O-N 3.03Å
492	C	95.6	Very high	84.7	Confident	1 Å²	1	41.7 Å²	41.7	1%	0.007	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	139.1	178.9	-81.1	0	0	0	0	111.3	D494 F508 K509 C511 Q518	C492-D494 PolarHBondContact O-N 3.23Å; C492-F508 CarbonylContact O-C 3.56Å; C492-F508 WeakPolarHBondContact O-CA 3.2Å; C492-K509 PolarHBondContact N-O 2.77Å; C492-K509 PolarHBondContact O-N 3.3Å; C492-C511 HydrophobicContact CB-CB 4.03Å; C492-C511 WeakPolarHBondContact CB-SG 3.24Å; C492-C511 PolarHBondContact N-SG 2.73Å; C492-C511 WeakPolarHBondContact SG-CA 3.37Å; C492-C511 WeakPolarHBondContact SG-CB 3.24Å; C492-C511 CovalentContact SG-SG 2.03Å; C492-C511 PolarHBondContact SG-SG 3.07Å; C492-Q518 HydrophobicContact CB-CG 4.36Å
493	M	96	Very high	82.9	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	125.5	170.3	-176.3	164.8	78	0	0	110.1	V464 I486 L506 F520 L536	V464-M493 HydrophobicContact CB-SD 4.28Å; V464-M493 HydrophobicContact CG1-SD 3.97Å; V464-M493 HydrophobicContact CG2-CB 4.32Å; V464-M493 HydrophobicContact CG2-CG 3.78Å; V464-M493 HydrophobicContact CG2-SD 4.05Å; I486-M493 HydrophobicContact CB-CB 4.34Å; I486-M493 HydrophobicContact CB-CE 4.02Å; I486-M493 HydrophobicContact CD1-CE 3.47Å; I486-M493 VanDerWaalsContact CD1-CE 3.47Å; I486-M493 HydrophobicContact CG1-CE 4.31Å; I486-M493 HydrophobicContact CG2-CB 4.43Å; I486-M493 HydrophobicContact CG2-CE 4.03Å; I486-M493 PolarHBondContact O-N 3.29Å; M493-L506 HydrophobicContact CE-CD2 4.25Å; M493-L506 HydrophobicContact CG-CB 4.15Å; M493-L506 HydrophobicContact CG-CD2 3.66Å; M493-L506 HydrophobicContact CG-CG 4.49Å; M493-L506 HydrophobicContact SD-CB 4.38Å; M493-L506 HydrophobicContact SD-CD2 3.89Å; M493-F520 HydrophobicContact CB-CE2 4.31Å; M493-F520 HydrophobicContact CB-CZ 4.45Å; M493-F520 HydrophobicContact CE-CD1 4.26Å; M493-F520 HydrophobicContact CE-CD2 4.35Å; M493-F520 HydrophobicContact CE-CE1 3.68Å; M493-F520 HydrophobicContact CE-CE2 3.79Å; M493-F520 HydrophobicContact CE-CZ 3.43Å; M493-F520 VanDerWaalsContact CE-CZ 3.43Å; M493-F520 HydrophobicContact CG-CE2 4.33Å; M493-F520 HydrophobicContact CG-CZ 3.98Å; M493-F520 WeakPolarHBondContact O-CE2 3.43Å; M493-F520 HydrophobicContact SD-CZ 4.5Å; M493-L536 HydrophobicContact CE-CD2 4.28Å
494	D	95	Very high	81.8	Confident	2 Å²	2	36.9 Å²	36.9	1%	0.011	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	127.1	-179.6	-172.4	-84.2	0	0	0	110.3	C492 G496 L506 V507 K509 S517 Q518	C492-D494 PolarHBondContact O-N 3.23Å; D494-G496 WeakPolarHBondContact OD1-CA 3.35Å; D494-G496 PolarHBondContact OD1-N 2.86Å; D494-L506 WeakPolarHBondContact O-CA 3.26Å; D494-V507 HydrophobicContact CB-CG2 4.43Å; D494-V507 PolarHBondContact N-O 2.76Å; D494-V507 PolarHBondContact O-N 3.04Å; D494-V507 VanDerWaalsContact O-N 3.12Å; D494-K509 HydrophobicContact CB-CB 4.24Å; D494-K509 HydrophobicContact CB-CD 3.82Å; D494-K509 HydrophobicContact CB-CG 4Å; D494-K509 VanDerWaalsContact CG-NZ 3.35Å; D494-K509 IonicContact OD1-NZ 3.91Å; D494-K509 PolarHBondContact OD1-NZ 2.86Å; D494-K509 IonicContact OD2-NZ 3.72Å; D494-S517 WeakPolarHBondContact CA-O 3.49Å; D494-S517 PolarHBondContact OD2-OG 3.24Å; D494-Q518 HydrophobicContact CB-CG 4.03Å; D494-Q518 VanDerWaalsContact OD2-CG 3.29Å; D494-Q518 WeakPolarHBondContact OD2-CG 3.15Å
495	G	93	Very high	81.3	Confident	5 Å²	5	40.6 Å²	40.6	5%	0.052	25%	0.251	C	S	.	.			trans	-93.9	2.9	179.6	0	0	0	0	0	114.6	S517	G495-S517 PolarHBondContact N-O 2.94Å
496	G	88.9	Confident	81.1	Confident	22 Å²	22	40.7 Å²	40.7	23%	0.227	25%	0.251	C	S	.	.			trans	65	-172.9	-174.4	0	0	0	0	0	114.4	D494 H529	D494-G496 WeakPolarHBondContact OD1-CA 3.35Å; D494-G496 PolarHBondContact OD1-N 2.86Å; G496-H529 PolarHBondContact O-CE1 3.29Å; G496-H529 VanDerWaalsContact O-CE1 3.28Å
497	S	81	Confident	80.9	Confident	100 Å²	100	42 Å²	42	70%	0.699	26%	0.259	S	S	*	.	S	Bend	trans	-103.2	-12.1	178.1	56	0	0	0	0	113.7	K499	S497-K499 PolarHBondContact O-N 2.83Å
498	S	71.1	Confident	80.9	Confident	66 Å²	66	40.5 Å²	40.5	46%	0.462	25%	0.253	S	S	.	.			trans	-69	121.3	-174.8	-174.9	0	0	0	0	111.3	S500 T532	S498-S500 PolarHBondContact O-N 3.38Å; S498-S500 WeakPolarHBondContact OG-CB 3.48Å; S498-S500 PolarHBondContact OG-N 3.21Å; S498-S500 PolarHBondContact OG-OG 2.72Å; S498-T532 VanDerWaalsContact O-CG2 3.29Å; S498-T532 WeakPolarHBondContact O-CG2 3.48Å
499	K	62	Low	80.9	Confident	159 Å²	159	44.3 Å²	44.3	69%	0.691	27%	0.27	S	S	*	.			trans	-78.1	1.6	172.6	-67.3	-174.6	178.6	-179.4	0	113.1	S497 V501	S497-K499 PolarHBondContact O-N 2.83Å; K499-V501 PolarHBondContact O-N 2.76Å
500	S	55.8	Low	81.1	Confident	67 Å²	67	48.4 Å²	48.4	47%	0.469	29%	0.286	S	S	.	.			trans	-60.7	109.1	179.3	-58.1	0	0	0	0	110.7	S498 G502 T503	S498-S500 PolarHBondContact O-N 3.38Å; S498-S500 WeakPolarHBondContact OG-CB 3.48Å; S498-S500 PolarHBondContact OG-N 3.21Å; S498-S500 PolarHBondContact OG-OG 2.72Å; S500-G502 PolarHBondContact O-N 3.31Å; S500-T503 WeakPolarHBondContact CB-OG1 3.44Å
501	V	51.6	Low	81.3	Confident	91 Å²	91	49.6 Å²	49.6	55%	0.552	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	124	178.9	179.8	0	0	0	0	109.3	K499 L534 V551	K499-V501 PolarHBondContact O-N 2.76Å; V501-L534 HydrophobicContact CG2-CD2 4.32Å; V501-V551 HydrophobicContact CG1-CG2 4.15Å; V501-V551 HydrophobicContact CG2-CG2 4.19Å
502	G	50.7	Low	81.1	Confident	30 Å²	30	54.2 Å²	54.2	31%	0.309	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.7	-3.1	172.1	0	0	0	0	0	117	S500	S500-G502 PolarHBondContact O-N 3.31Å
503	T	57.8	Low	80.6	Confident	88 Å²	88	61.6 Å²	61.6	54%	0.54	34%	0.344	S	S	.	.			trans	-112.7	7	170.8	59.5	0	0	0	0	113.2	S500 I505	S500-T503 WeakPolarHBondContact CB-OG1 3.44Å; T503-I505 VanDerWaalsContact C-N 3.28Å; T503-I505 PolarHBondContact O-N 2.82Å
504	G	70.2	Confident	80.1	Confident	11 Å²	11	69.1 Å²	69.1	11%	0.113	38%	0.384	C	S	.	.	B	Isolated β-bridge	trans	-67.1	82.7	-177.4	0	0	0	0	0	111.9	T548 L549	G504-T548 WeakPolarHBondContact O-CA 3.27Å; G504-T548 PolarHBondContact O-OG1 3.42Å; G504-L549 PolarHBondContact O-N 3.41Å
505	I	84	Confident	79.9	Confident	84 Å²	84	69.8 Å²	69.8	43%	0.431	39%	0.389	S	S	.	.			trans	-71.9	123.9	168.9	-63.9	168.3	0	0	0	107.1	T463 T503 V507	T463-I505 HydrophobicContact CG2-CG2 3.44Å; T463-I505 VanDerWaalsContact CG2-CG2 3.44Å; T503-I505 VanDerWaalsContact C-N 3.28Å; T503-I505 PolarHBondContact O-N 2.82Å; I505-V507 HydrophobicContact CG2-CG1 3.85Å
506	L	93.3	Very high	79.9	Confident	3 Å²	3	74.9 Å²	74.9	2%	0.016	41%	0.414	C	S	.	.			trans	-88.5	132.7	169.6	-67.1	133.7	0	0	0	108.2	T463 V464 M493 D494 F520 L536 L547 L549	T463-L506 CarbonylContact C-O 3.47Å; T463-L506 VanDerWaalsContact CA-O 3.25Å; T463-L506 WeakPolarHBondContact CA-O 3.4Å; V464-L506 HydrophobicContact CB-CB 4.1Å; V464-L506 HydrophobicContact CG2-CB 4.05Å; V464-L506 PolarHBondContact N-O 3.41Å; M493-L506 HydrophobicContact CE-CD2 4.25Å; M493-L506 HydrophobicContact CG-CB 4.15Å; M493-L506 HydrophobicContact CG-CD2 3.66Å; M493-L506 HydrophobicContact CG-CG 4.49Å; M493-L506 HydrophobicContact SD-CB 4.38Å; M493-L506 HydrophobicContact SD-CD2 3.89Å; D494-L506 WeakPolarHBondContact O-CA 3.26Å; L506-F520 HydrophobicContact CD2-CE1 4.18Å; L506-F520 HydrophobicContact CD2-CZ 4.01Å; L506-L536 HydrophobicContact CD1-CD1 3.23Å; L506-L536 HydrophobicContact CD2-CD1 4.39Å; L506-L536 HydrophobicContact CG-CD1 4.43Å; L506-L547 HydrophobicContact CD1-CD2 3.75Å; L506-L547 HydrophobicContact CD1-CG 3.76Å; L506-L549 HydrophobicContact CD1-CD2 4.44Å; L506-L549 HydrophobicContact CD1-CG 4.29Å; L506-L549 HydrophobicContact CD2-CD1 4.33Å; L506-L549 HydrophobicContact CD2-CD2 4.38Å; L506-L549 HydrophobicContact CD2-CG 4.33Å; L506-L549 HydrophobicContact CG-CG 4.37Å
507	V	93.9	Very high	80.1	Confident	28 Å²	28	74.9 Å²	74.9	17%	0.17	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	158.1	178.1	-63.3	0	0	0	0	110.8	E462 T463 D494 I505 K509	E462-V507 CarbonylContact O-C 3.52Å; E462-V507 WeakPolarHBondContact O-CA 3.25Å; E462-V507 WeakPolarHBondContact O-CB 3.3Å; T463-V507 HydrophobicContact CG2-CG1 4.38Å; D494-V507 HydrophobicContact CB-CG2 4.43Å; D494-V507 PolarHBondContact N-O 2.76Å; D494-V507 PolarHBondContact O-N 3.04Å; D494-V507 VanDerWaalsContact O-N 3.12Å; I505-V507 HydrophobicContact CG2-CG1 3.85Å; V507-K509 HydrophobicContact CG2-CG 4.18Å
508	F	95.1	Very high	80.8	Confident	1 Å²	1	70.1 Å²	70.1	0%	0.004	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	131.4	167.7	-63.5	-61.6	0	0	0	110.4	H458 L460 G461 E462 V464 F478 V488 C492	H458-F508 HydrophobicContact CB-CD2 4.43Å; H458-F508 HydrophobicContact CB-CE2 4.47Å; L460-F508 HydrophobicContact CD2-CB 4.4Å; G461-F508 PolarHBondContact N-O 3.01Å; E462-F508 PolarHBondContact O-N 2.87Å; V464-F508 HydrophobicContact CB-CE1 4.43Å; V464-F508 HydrophobicContact CB-CE2 4.45Å; V464-F508 HydrophobicContact CB-CZ 4.08Å; V464-F508 HydrophobicContact CG1-CE1 4.28Å; V464-F508 HydrophobicContact CG1-CZ 3.89Å; V464-F508 HydrophobicContact CG2-CD1 3.89Å; V464-F508 HydrophobicContact CG2-CD2 4.29Å; V464-F508 HydrophobicContact CG2-CE1 3.53Å; V464-F508 HydrophobicContact CG2-CE2 3.98Å; V464-F508 HydrophobicContact CG2-CG 4.25Å; V464-F508 HydrophobicContact CG2-CZ 3.6Å; F478-F508 HydrophobicContact CE1-CE1 4.41Å; V488-F508 HydrophobicContact CB-CE1 4.41Å; V488-F508 HydrophobicContact CG1-CE1 4.26Å; V488-F508 HydrophobicContact CG2-CD1 3.66Å; V488-F508 HydrophobicContact CG2-CE1 3.26Å; V488-F508 HydrophobicContact CG2-CE2 4.45Å; V488-F508 HydrophobicContact CG2-CG 4.42Å; V488-F508 HydrophobicContact CG2-CZ 3.7Å; C492-F508 CarbonylContact O-C 3.56Å; C492-F508 WeakPolarHBondContact O-CA 3.2Å
509	K	94.5	Very high	82	Confident	84 Å²	84	68 Å²	68	37%	0.365	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	163.4	171.2	-72.5	-172.5	-172.9	159	0	110.6	C492 D494 V507 C511	C492-K509 PolarHBondContact N-O 2.77Å; C492-K509 PolarHBondContact O-N 3.3Å; D494-K509 HydrophobicContact CB-CB 4.24Å; D494-K509 HydrophobicContact CB-CD 3.82Å; D494-K509 HydrophobicContact CB-CG 4Å; D494-K509 VanDerWaalsContact CG-NZ 3.35Å; D494-K509 IonicContact OD1-NZ 3.91Å; D494-K509 PolarHBondContact OD1-NZ 2.86Å; D494-K509 IonicContact OD2-NZ 3.72Å; V507-K509 HydrophobicContact CG2-CG 4.18Å; K509-C511 PolarHBondContact O-N 3.39Å
510	K	92.5	Very high	83.6	Confident	143 Å²	143	60.5 Å²	60.5	62%	0.622	33%	0.327	S	S	*	.			trans	-55.8	134.9	168.9	-172.4	175.2	-179	177.7	0	108.1	E512 Q518	K510-E512 PolarHBondContact O-N 3.45Å; K510-Q518 PolarHBondContact O-NE2 2.84Å
511	C	92.2	Very high	85.6	Confident	46 Å²	46	61.2 Å²	61.2	31%	0.311	32%	0.323	S	S	.	.			trans	-69.6	121.7	-178.5	-70.2	0	0	0	0	110.6	C492 K509	C492-C511 HydrophobicContact CB-CB 4.03Å; C492-C511 WeakPolarHBondContact CB-SG 3.24Å; C492-C511 PolarHBondContact N-SG 2.73Å; C492-C511 WeakPolarHBondContact SG-CA 3.37Å; C492-C511 WeakPolarHBondContact SG-CB 3.24Å; C492-C511 CovalentContact SG-SG 2.03Å; C492-C511 PolarHBondContact SG-SG 3.07Å; K509-C511 PolarHBondContact O-N 3.39Å
512	E	89.3	Confident	87.7	Confident	108 Å²	108	59.6 Å²	59.6	51%	0.505	31%	0.308	S	S	.	.			trans	-118	128.1	-178.9	-74	169.4	-160.4	0	0	109.2	K510 D514 S515	K510-E512 PolarHBondContact O-N 3.45Å; E512-D514 VanDerWaalsContact C-N 3.31Å; E512-D514 PolarHBondContact O-N 2.97Å; E512-S515 PolarHBondContact O-N 2.99Å
513	K	84.5	Confident	89.7	Confident	156 Å²	156	61.7 Å²	61.7	68%	0.678	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-43.2	-175.2	-73.9	-177.5	179.6	174.6	0	111.8	K519	K513-K519 WeakPolarHBondContact O-CE 3.5Å; K513-K519 PolarHBondContact O-NZ 2.89Å
514	D	86.5	Confident	91.3	Very high	158 Å²	158	65.7 Å²	65.7	85%	0.845	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-3.3	-174.3	-55.9	-43.4	0	0	0	114.1	E512 I516	E512-D514 VanDerWaalsContact C-N 3.31Å; E512-D514 PolarHBondContact O-N 2.97Å; D514-I516 PolarHBondContact O-N 2.88Å
515	S	90.8	Very high	92.3	Very high	16 Å²	16	69 Å²	69	11%	0.112	34%	0.339	C	S	.	.			trans	-72.3	105.5	-177.3	-178.5	0	0	0	0	111.4	E512 S517 Q518 K519	E512-S515 PolarHBondContact O-N 2.99Å; S515-S517 VanDerWaalsContact C-N 3.26Å; S515-S517 PolarHBondContact O-N 3.25Å; S515-S517 PolarHBondContact OG-OG 2.93Å; S515-S517 VanDerWaalsContact OG-OG 3.07Å; S515-Q518 PolarHBondContact O-N 3.36Å; S515-K519 WeakPolarHBondContact O-CE 3.29Å; S515-K519 WeakPolarHBondContact O-CG 3.39Å
516	I	91.4	Very high	92.8	Very high	112 Å²	112	66.1 Å²	66.1	57%	0.574	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-70.9	-22.5	-179.9	-153.5	162.8	0	0	0	112.4	D514 Q518 K519 T531	D514-I516 PolarHBondContact O-N 2.88Å; I516-Q518 PolarHBondContact O-N 3.35Å; I516-K519 PolarHBondContact O-N 3.11Å; I516-T531 WeakPolarHBondContact CG2-OG1 3.44Å; I516-T531 PolarHBondContact O-OG1 3.1Å
517	S	93.5	Very high	93	Very high	22 Å²	22	66 Å²	66	15%	0.154	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-73.6	-7.7	173.4	58.2	0	0	0	0	114	D494 G495 S515 H529 T531	D494-S517 WeakPolarHBondContact CA-O 3.49Å; D494-S517 PolarHBondContact OD2-OG 3.24Å; G495-S517 PolarHBondContact N-O 2.94Å; S515-S517 VanDerWaalsContact C-N 3.26Å; S515-S517 PolarHBondContact O-N 3.25Å; S515-S517 PolarHBondContact OG-OG 2.93Å; S515-S517 VanDerWaalsContact OG-OG 3.07Å; S517-H529 WeakPolarHBondContact CA-NE2 3.48Å; S517-H529 PolarHBondContact O-NE2 3.36Å; S517-T531 VanDerWaalsContact CA-OG1 3.31Å; S517-T531 WeakPolarHBondContact CA-OG1 3.27Å; S517-T531 PolarHBondContact N-OG1 3.16Å
518	Q	95.4	Very high	93.1	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-102.4	4.9	173.4	-63.1	-179.4	-0.2	0	0	112.5	C492 D494 K510 S515 I516	C492-Q518 HydrophobicContact CB-CG 4.36Å; D494-Q518 HydrophobicContact CB-CG 4.03Å; D494-Q518 VanDerWaalsContact OD2-CG 3.29Å; D494-Q518 WeakPolarHBondContact OD2-CG 3.15Å; K510-Q518 PolarHBondContact O-NE2 2.84Å; S515-Q518 PolarHBondContact O-N 3.36Å; I516-Q518 PolarHBondContact O-N 3.35Å
519	K	96.2	Very high	93.1	Very high	22 Å²	22	65.5 Å²	65.5	10%	0.096	32%	0.32	C	S	.	.			trans	-102.6	135.5	-176.2	-48.7	-60.1	-176.8	-177.1	0	111.3	S483 T485 K513 S515 I516 H529 K530	S483-K519 WeakPolarHBondContact O-CD 3.43Å; T485-K519 HydrophobicContact CG2-CD 3.74Å; K513-K519 WeakPolarHBondContact O-CE 3.5Å; K513-K519 PolarHBondContact O-NZ 2.89Å; S515-K519 WeakPolarHBondContact O-CE 3.29Å; S515-K519 WeakPolarHBondContact O-CG 3.39Å; I516-K519 PolarHBondContact O-N 3.11Å; K519-H529 PolarHBondContact O-CD2 3.13Å; K519-K530 HydrophobicContact CB-CB 4.1Å; K519-K530 HydrophobicContact CB-CD 3.74Å; K519-K530 HydrophobicContact CB-CG 4.03Å; K519-K530 WeakPolarHBondContact O-CB 3.35Å; K519-K530 PolarHBondContact O-N 3.17Å
520	F	97	Very high	93	Very high	1 Å²	1	65.2 Å²	65.2	0%	0.004	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	155.6	177.3	-59	-92.9	0	0	0	109.9	G484 I486 M493 L506 F522 I527 I528 H529 K530	G484-F520 PolarHBondContact O-N 3.34Å; I486-F520 HydrophobicContact CB-CD2 4.38Å; I486-F520 HydrophobicContact CD1-CB 4.07Å; I486-F520 HydrophobicContact CD1-CD1 4.33Å; I486-F520 HydrophobicContact CD1-CD2 3.83Å; I486-F520 HydrophobicContact CD1-CE2 4.41Å; I486-F520 HydrophobicContact CD1-CG 3.8Å; I486-F520 HydrophobicContact CG1-CD2 4.02Å; I486-F520 HydrophobicContact CG1-CG 4.4Å; M493-F520 HydrophobicContact CB-CE2 4.31Å; M493-F520 HydrophobicContact CB-CZ 4.45Å; M493-F520 HydrophobicContact CE-CD1 4.26Å; M493-F520 HydrophobicContact CE-CD2 4.35Å; M493-F520 HydrophobicContact CE-CE1 3.68Å; M493-F520 HydrophobicContact CE-CE2 3.79Å; M493-F520 HydrophobicContact CE-CZ 3.43Å; M493-F520 VanDerWaalsContact CE-CZ 3.43Å; M493-F520 HydrophobicContact CG-CE2 4.33Å; M493-F520 HydrophobicContact CG-CZ 3.98Å; M493-F520 WeakPolarHBondContact O-CE2 3.43Å; M493-F520 HydrophobicContact SD-CZ 4.5Å; L506-F520 HydrophobicContact CD2-CE1 4.18Å; L506-F520 HydrophobicContact CD2-CZ 4.01Å; F520-F522 HydrophobicContact CB-CE2 4.47Å; F520-F522 HydrophobicContact CB-CZ 4.21Å; F520-I527 HydrophobicContact CB-CG2 4.05Å; F520-I527 HydrophobicContact CD1-CG2 3.86Å; F520-I527 HydrophobicContact CG-CG2 4.2Å; F520-I528 CarbonylContact C-O 3.08Å; F520-I528 WeakPolarHBondContact CA-O 3.4Å; F520-H529 HydrophobicContact CD1-CB 4.03Å; F520-H529 HydrophobicContact CE1-CB 3.86Å; F520-H529 AromaticContact CE1-CD2 3.71Å; F520-H529 AromaticContact CZ-CD2 3.91Å; F520-K530 WeakPolarHBondContact O-CE 3.42Å
521	E	96.6	Very high	93	Very high	82 Å²	82	60.3 Å²	60.3	38%	0.383	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	141.4	173.8	-174.1	175.9	-177.9	0	0	108.4	I523 I528 K530	E521-I523 HydrophobicContact CG-CD1 4.31Å; E521-I523 HydrophobicContact CG-CG1 3.99Å; E521-I528 HydrophobicContact CB-CB 4.35Å; E521-I528 PolarHBondContact N-O 3.04Å; E521-I528 PolarHBondContact O-N 2.76Å; E521-K530 HydrophobicContact CB-CG 4.34Å
522	F	95.6	Very high	92.9	Very high	56 Å²	56	58.7 Å²	58.7	25%	0.246	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	103.4	-173.6	-56.9	-85.2	0	0	0	108	I480 I486 F520 I527 L562	I480-F522 HydrophobicContact CB-CZ 4.42Å; I480-F522 HydrophobicContact CD1-CD1 4.48Å; I480-F522 HydrophobicContact CD1-CE1 3.76Å; I480-F522 HydrophobicContact CD1-CZ 3.92Å; I480-F522 HydrophobicContact CG1-CE1 4.44Å; I480-F522 HydrophobicContact CG1-CZ 4.16Å; I480-F522 HydrophobicContact CG2-CD2 4.34Å; I480-F522 HydrophobicContact CG2-CE1 4.29Å; I480-F522 HydrophobicContact CG2-CE2 3.45Å; I480-F522 VanDerWaalsContact CG2-CE2 3.45Å; I480-F522 HydrophobicContact CG2-CZ 3.42Å; I480-F522 VanDerWaalsContact CG2-CZ 3.42Å; I486-F522 HydrophobicContact CD1-CE1 3.91Å; I486-F522 HydrophobicContact CD1-CZ 3.85Å; I486-F522 HydrophobicContact CG1-CE1 4.27Å; I486-F522 HydrophobicContact CG1-CZ 3.77Å; F520-F522 HydrophobicContact CB-CE2 4.47Å; F520-F522 HydrophobicContact CB-CZ 4.21Å; F522-I527 HydrophobicContact CD1-CG1 3.98Å; F522-I527 HydrophobicContact CD1-CG2 4.47Å; F522-I527 HydrophobicContact CE1-CD1 4.36Å; F522-I527 HydrophobicContact CE1-CG1 4.08Å; F522-I527 HydrophobicContact CE1-CG2 4.11Å; F522-L562 HydrophobicContact CB-CD1 3.95Å; F522-L562 HydrophobicContact CD1-CD1 3.7Å; F522-L562 HydrophobicContact CD1-CD2 3.64Å; F522-L562 HydrophobicContact CD1-CG 4.33Å; F522-L562 HydrophobicContact CE1-CD2 3.95Å; F522-L562 HydrophobicContact CG-CD1 4.02Å
523	I	94	Very high	93.1	Very high	75 Å²	75	59.7 Å²	59.7	39%	0.385	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	117.3	-179.1	-54.8	-174.4	0	0	0	107.9	E521 N525 Q526 I528	E521-I523 HydrophobicContact CG-CD1 4.31Å; E521-I523 HydrophobicContact CG-CG1 3.99Å; I523-N525 PolarHBondContact O-N 3.21Å; I523-Q526 PolarHBondContact N-O 3.04Å; I523-Q526 VanDerWaalsContact N-O 3.07Å; I523-Q526 PolarHBondContact O-N 2.82Å; I523-I528 HydrophobicContact CB-CD1 4.24Å; I523-I528 HydrophobicContact CD1-CD1 3.56Å; I523-I528 HydrophobicContact CG1-CD1 3.9Å
524	E	89.9	Confident	93.5	Very high	172 Å²	172	52.9 Å²	52.9	80%	0.804	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	-111	-174.9	-59.1	-179.1	171.7	0	0	111.7
525	N	92.4	Very high	93.8	Very high	79 Å²	79	45.3 Å²	45.3	42%	0.422	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	10.1	177.8	-60	-50.3	0	0	0	112.9	I523 Y559 W560	I523-N525 PolarHBondContact O-N 3.21Å; N525-Y559 HydrophobicContact CB-CD1 4.14Å; N525-Y559 HydrophobicContact CB-CG 4.07Å; N525-Y559 CarbonylContact O-C 3.44Å; N525-Y559 WeakPolarHBondContact O-CA 3.49Å; N525-W560 PolarHBondContact O-N 2.8Å
526	Q	95.2	Very high	94	Very high	25 Å²	25	44.6 Å²	44.6	12%	0.117	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	140.5	-176.2	-68.1	-177	-27.5	0	0	111.9	I523 I528 T553 S558 Y559	I523-Q526 PolarHBondContact N-O 3.04Å; I523-Q526 VanDerWaalsContact N-O 3.07Å; I523-Q526 PolarHBondContact O-N 2.82Å; Q526-I528 HydrophobicContact CB-CG1 4.39Å; Q526-T553 PolarHBondContact NE2-O 2.84Å; Q526-S558 PolarHBondContact NE2-OG 2.66Å; Q526-Y559 HydrophobicContact CG-CD1 4.24Å; Q526-Y559 HydrophobicContact CG-CE1 4.32Å
527	I	96.7	Very high	94.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	111.2	172.2	-58.1	174.9	0	0	0	107.5	I445 I486 F520 F522 C535 L536 W560 L562	I445-I527 HydrophobicContact CG2-CD1 3.68Å; I486-I527 HydrophobicContact CD1-CG2 3.8Å; F520-I527 HydrophobicContact CB-CG2 4.05Å; F520-I527 HydrophobicContact CD1-CG2 3.86Å; F520-I527 HydrophobicContact CG-CG2 4.2Å; F522-I527 HydrophobicContact CD1-CG1 3.98Å; F522-I527 HydrophobicContact CD1-CG2 4.47Å; F522-I527 HydrophobicContact CE1-CD1 4.36Å; F522-I527 HydrophobicContact CE1-CG1 4.08Å; F522-I527 HydrophobicContact CE1-CG2 4.11Å; I527-C535 WeakPolarHBondContact O-CA 3.44Å; I527-L536 HydrophobicContact CB-CB 3.95Å; I527-L536 HydrophobicContact CB-CD2 4.2Å; I527-L536 HydrophobicContact CD1-CD2 3.96Å; I527-L536 HydrophobicContact CG2-CB 4.23Å; I527-L536 HydrophobicContact CG2-CD2 4.16Å; I527-L536 WeakPolarHBondContact O-CB 3.4Å; I527-L536 PolarHBondContact O-N 3.04Å; I527-W560 HydrophobicContact CD1-CB 3.8Å; I527-W560 HydrophobicContact CD1-CD2 4.21Å; I527-W560 HydrophobicContact CD1-CG 3.73Å; I527-W560 HydrophobicContact CG1-CB 4.11Å; I527-W560 HydrophobicContact CG1-CG 4.1Å; I527-L562 HydrophobicContact CD1-CD2 3.94Å; I527-L562 HydrophobicContact CG1-CD2 4.07Å
528	I	95.3	Very high	94	Very high	19 Å²	19	38.7 Å²	38.7	10%	0.097	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	124	-172.6	-54.4	173.5	0	0	0	109	F520 E521 I523 Q526 K530	F520-I528 CarbonylContact C-O 3.08Å; F520-I528 WeakPolarHBondContact CA-O 3.4Å; E521-I528 HydrophobicContact CB-CB 4.35Å; E521-I528 PolarHBondContact N-O 3.04Å; E521-I528 PolarHBondContact O-N 2.76Å; I523-I528 HydrophobicContact CB-CD1 4.24Å; I523-I528 HydrophobicContact CD1-CD1 3.56Å; I523-I528 HydrophobicContact CG1-CD1 3.9Å; Q526-I528 HydrophobicContact CB-CG1 4.39Å; I528-K530 PolarHBondContact O-N 3.32Å
529	H	94.8	Very high	93.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	120.8	175.9	179.3	-130.5	0	0	0	110.9	G496 S517 K519 F520 T531 T532 K533 L534 L549	G496-H529 PolarHBondContact O-CE1 3.29Å; G496-H529 VanDerWaalsContact O-CE1 3.28Å; S517-H529 WeakPolarHBondContact CA-NE2 3.48Å; S517-H529 PolarHBondContact O-NE2 3.36Å; K519-H529 PolarHBondContact O-CD2 3.13Å; F520-H529 HydrophobicContact CD1-CB 4.03Å; F520-H529 HydrophobicContact CE1-CB 3.86Å; F520-H529 AromaticContact CE1-CD2 3.71Å; F520-H529 AromaticContact CZ-CD2 3.91Å; H529-T531 VanDerWaalsContact C-N 3.31Å; H529-T531 PolarHBondContact O-N 2.84Å; H529-T532 PolarHBondContact ND1-OG1 2.74Å; H529-K533 VanDerWaalsContact O-CA 3.3Å; H529-K533 WeakPolarHBondContact O-CA 3.43Å; H529-K533 PolarHBondContact O-N 2.84Å; H529-L534 PolarHBondContact N-O 3.34Å; H529-L549 HydrophobicContact CB-CD1 3.97Å; H529-L549 HydrophobicContact CB-CD2 3.88Å
530	K	93.2	Very high	93.2	Very high	78 Å²	78	44 Å²	44	34%	0.339	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-33.3	-169.2	-73.3	-162.5	-178.3	175.8	0	113.7	K519 F520 E521 I528 K533	K519-K530 HydrophobicContact CB-CB 4.1Å; K519-K530 HydrophobicContact CB-CD 3.74Å; K519-K530 HydrophobicContact CB-CG 4.03Å; K519-K530 WeakPolarHBondContact O-CB 3.35Å; K519-K530 PolarHBondContact O-N 3.17Å; F520-K530 WeakPolarHBondContact O-CE 3.42Å; E521-K530 HydrophobicContact CB-CG 4.34Å; I528-K530 PolarHBondContact O-N 3.32Å; K530-K533 WeakPolarHBondContact O-CD 3.4Å; K530-K533 WeakPolarHBondContact O-CE 3.34Å; K530-K533 PolarHBondContact O-NZ 3.37Å
531	T	92	Very high	92.4	Very high	39 Å²	39	48.1 Å²	48.1	24%	0.239	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-48.8	-177.2	-59.7	0	0	0	0	112.3	I516 S517 H529	I516-T531 WeakPolarHBondContact CG2-OG1 3.44Å; I516-T531 PolarHBondContact O-OG1 3.1Å; S517-T531 VanDerWaalsContact CA-OG1 3.31Å; S517-T531 WeakPolarHBondContact CA-OG1 3.27Å; S517-T531 PolarHBondContact N-OG1 3.16Å; H529-T531 VanDerWaalsContact C-N 3.31Å; H529-T531 PolarHBondContact O-N 2.84Å
532	T	91.7	Very high	91.5	Very high	12 Å²	12	50.4 Å²	50.4	7%	0.074	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-14.3	-174.4	60.7	0	0	0	0	113.2	S498 H529 L534	S498-T532 VanDerWaalsContact O-CG2 3.29Å; S498-T532 WeakPolarHBondContact O-CG2 3.48Å; H529-T532 PolarHBondContact ND1-OG1 2.74Å; T532-L534 PolarHBondContact O-N 3.1Å; T532-L534 WeakPolarHBondContact OG1-CB 3.28Å; T532-L534 PolarHBondContact OG1-N 2.9Å
533	K	92.1	Very high	90.6	Very high	129 Å²	129	57.4 Å²	57.4	56%	0.561	30%	0.299	S	S	*	.			trans	58.6	22.6	-171.3	-52.3	-57	-174.1	-169.3	0	113.4	H529 K530	H529-K533 VanDerWaalsContact O-CA 3.3Å; H529-K533 WeakPolarHBondContact O-CA 3.43Å; H529-K533 PolarHBondContact O-N 2.84Å; K530-K533 WeakPolarHBondContact O-CD 3.4Å; K530-K533 WeakPolarHBondContact O-CE 3.34Å; K530-K533 PolarHBondContact O-NZ 3.37Å
534	L	92.8	Very high	90	Very high	13 Å²	13	55.6 Å²	55.6	7%	0.068	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-94.7	146.8	176.1	-61.3	179.5	0	0	0	109.9	V501 H529 T532 L549 R550 V551	V501-L534 HydrophobicContact CG2-CD2 4.32Å; H529-L534 PolarHBondContact N-O 3.34Å; T532-L534 PolarHBondContact O-N 3.1Å; T532-L534 WeakPolarHBondContact OG1-CB 3.28Å; T532-L534 PolarHBondContact OG1-N 2.9Å; L534-L549 HydrophobicContact CB-CB 3.83Å; L534-L549 HydrophobicContact CD1-CB 4.02Å; L534-R550 CarbonylContact C-O 3.59Å; L534-R550 VanDerWaalsContact CA-O 3.3Å; L534-R550 WeakPolarHBondContact CA-O 3.36Å; L534-R550 VanDerWaalsContact CB-O 3.29Å; L534-R550 WeakPolarHBondContact CB-O 3.47Å; L534-V551 HydrophobicContact CD2-CG2 4.29Å
535	C	93.7	Very high	89.8	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	144.5	175.3	-80.5	0	0	0	0	111.2	I527 V537 L549 R550 C552	I527-C535 WeakPolarHBondContact O-CA 3.44Å; C535-V537 HydrophobicContact CB-CG1 4.33Å; C535-V537 PolarHBondContact O-N 2.82Å; C535-L549 WeakPolarHBondContact O-CA 3.3Å; C535-R550 PolarHBondContact N-O 3.37Å; C535-R550 PolarHBondContact O-N 2.75Å; C535-C552 HydrophobicContact CB-CB 3.97Å; C535-C552 WeakPolarHBondContact CB-SG 3.36Å; C535-C552 PolarHBondContact N-SG 3.3Å; C535-C552 WeakPolarHBondContact SG-CA 3.24Å; C535-C552 WeakPolarHBondContact SG-CB 3.43Å; C535-C552 CovalentContact SG-SG 2.04Å; C535-C552 PolarHBondContact SG-SG 3.44Å
536	L	94.9	Very high	89.6	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	121.8	167.5	-168	66.8	0	0	0	109.3	L453 M493 L506 I527 L547 L549 W560	L453-L536 HydrophobicContact CD1-CD2 4.13Å; L453-L536 HydrophobicContact CD2-CD2 4.26Å; M493-L536 HydrophobicContact CE-CD2 4.28Å; L506-L536 HydrophobicContact CD1-CD1 3.23Å; L506-L536 HydrophobicContact CD2-CD1 4.39Å; L506-L536 HydrophobicContact CG-CD1 4.43Å; I527-L536 HydrophobicContact CB-CB 3.95Å; I527-L536 HydrophobicContact CB-CD2 4.2Å; I527-L536 HydrophobicContact CD1-CD2 3.96Å; I527-L536 HydrophobicContact CG2-CB 4.23Å; I527-L536 HydrophobicContact CG2-CD2 4.16Å; I527-L536 WeakPolarHBondContact O-CB 3.4Å; I527-L536 PolarHBondContact O-N 3.04Å; L536-L547 HydrophobicContact CD1-CD1 3.61Å; L536-L547 HydrophobicContact CD1-CD2 4.04Å; L536-L547 HydrophobicContact CD1-CG 3.74Å; L536-L547 HydrophobicContact CD2-CD1 4.21Å; L536-L547 HydrophobicContact CG-CD1 3.75Å; L536-L547 HydrophobicContact CG-CG 4.44Å; L536-L549 HydrophobicContact CD1-CD2 4.21Å; L536-W560 HydrophobicContact CD2-CD2 4.47Å; L536-W560 HydrophobicContact CD2-CH2 4.41Å; L536-W560 HydrophobicContact CD2-CZ2 3.91Å; L536-W560 HydrophobicContact CG-CZ2 3.79Å; L536-W560 PolarHBondContact O-NE1 3.38Å
537	V	94.1	Very high	89.5	Confident	1 Å²	1	50 Å²	50	1%	0.006	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	152.2	-177.7	-57	0	0	0	0	111.9	C535 I539 T548 R550 D557	C535-V537 HydrophobicContact CB-CG1 4.33Å; C535-V537 PolarHBondContact O-N 2.82Å; V537-I539 HydrophobicContact CG2-CG2 4.26Å; V537-T548 HydrophobicContact CG2-CG2 3.55Å; V537-T548 WeakPolarHBondContact CG2-O 3.29Å; V537-T548 PolarHBondContact N-O 3.28Å; V537-T548 PolarHBondContact O-N 3.31Å; V537-R550 HydrophobicContact CG1-CB 4.38Å; V537-R550 HydrophobicContact CG2-CB 3.75Å; V537-R550 HydrophobicContact CG2-CG 3.74Å; V537-D557 VanDerWaalsContact CA-O 3.27Å; V537-D557 WeakPolarHBondContact CA-O 3.06Å; V537-D557 WeakPolarHBondContact CB-O 3.35Å
538	I	91.5	Very high	89.3	Confident	10 Å²	10	50.1 Å²	50.1	5%	0.051	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	126.7	167	-62.5	-172.6	0	0	0	109.3	H447 Q451 V466 V545 R546 L547 D557 W560	H447-I538 HydrophobicContact CB-CD1 3.62Å; Q451-I538 HydrophobicContact CB-CD1 3.72Å; Q451-I538 HydrophobicContact CG-CD1 4.33Å; V466-I538 HydrophobicContact CB-CD1 4.17Å; V466-I538 HydrophobicContact CG1-CD1 3.81Å; V466-I538 HydrophobicContact CG1-CG1 4.21Å; V466-I538 HydrophobicContact CG2-CD1 4.21Å; I538-V545 HydrophobicContact CG2-CB 3.73Å; I538-V545 HydrophobicContact CG2-CG1 3.85Å; I538-R546 WeakPolarHBondContact CA-O 3.5Å; I538-L547 HydrophobicContact CG1-CD1 4.42Å; I538-D557 PolarHBondContact N-O 3.42Å; I538-D557 VanDerWaalsContact N-O 3.11Å; I538-W560 HydrophobicContact CD1-CH2 3.73Å; I538-W560 HydrophobicContact CD1-CZ2 4.38Å; I538-W560 HydrophobicContact CD1-CZ3 4.34Å; I538-W560 HydrophobicContact CG1-CH2 3.62Å; I538-W560 HydrophobicContact CG1-CZ2 3.85Å
539	I	88.9	Confident	89.2	Confident	23 Å²	23	49.2 Å²	49.2	12%	0.118	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	130.1	171.9	59	169.3	0	0	0	110.3	V537 M541 V545 R546 T548 R550	V537-I539 HydrophobicContact CG2-CG2 4.26Å; I539-M541 HydrophobicContact CD1-CG 4.15Å; I539-M541 HydrophobicContact CD1-SD 4.01Å; I539-M541 HydrophobicContact CG1-CG 4.28Å; I539-V545 WeakPolarHBondContact O-CA 3.45Å; I539-R546 HydrophobicContact CD1-CB 4.47Å; I539-R546 HydrophobicContact CG1-CB 3.99Å; I539-R546 HydrophobicContact CG1-CG 4.48Å; I539-R546 WeakPolarHBondContact CG1-O 3.29Å; I539-R546 PolarHBondContact N-O 3.24Å; I539-R546 PolarHBondContact O-N 3.28Å; I539-T548 HydrophobicContact CD1-CG2 4.06Å; I539-T548 HydrophobicContact CG1-CG2 4.06Å; I539-T548 HydrophobicContact CG2-CG2 3.84Å; I539-R550 VanDerWaalsContact CG2-CZ 3.47Å
540	S	84.3	Confident	89	Confident	111 Å²	111	54.1 Å²	54.1	78%	0.776	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80	121.8	169.3	-62.3	0	0	0	0	109.4
541	M	80.1	Confident	88.9	Confident	86 Å²	86	54.5 Å²	54.5	42%	0.424	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	166.9	174.2	-57.3	-170.7	-56.5	0	0	109.8	I539 K543 G544 R546	I539-M541 HydrophobicContact CD1-CG 4.15Å; I539-M541 HydrophobicContact CD1-SD 4.01Å; I539-M541 HydrophobicContact CG1-CG 4.28Å; M541-K543 PolarHBondContact O-N 3.34Å; M541-K543 VanDerWaalsContact O-N 3.1Å; M541-G544 CarbonylContact C-O 3.53Å; M541-G544 WeakPolarHBondContact CA-O 3.31Å; M541-G544 PolarHBondContact N-O 2.86Å; M541-G544 PolarHBondContact O-N 3.02Å; M541-G544 VanDerWaalsContact O-O 3.09Å; M541-R546 HydrophobicContact CE-CB 3.59Å; M541-R546 HydrophobicContact CE-CG 4.3Å; M541-R546 HydrophobicContact SD-CB 4.35Å
542	S	79.1	Confident	88.9	Confident	131 Å²	131	54.8 Å²	54.8	92%	0.916	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-26	176.6	54	0	0	0	0	113.9
543	K	76.4	Confident	88.8	Confident	202 Å²	202	56.9 Å²	56.9	88%	0.878	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	14.9	178.9	-64.1	-171.8	177.8	-176.2	0	114.3	M541	M541-K543 PolarHBondContact O-N 3.34Å; M541-K543 VanDerWaalsContact O-N 3.1Å
544	G	81.3	Confident	88.6	Confident	38 Å²	38	57.3 Å²	57.3	39%	0.392	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	116	-161.5	-179.7	0	0	0	0	0	113.4	M541	M541-G544 CarbonylContact C-O 3.53Å; M541-G544 WeakPolarHBondContact CA-O 3.31Å; M541-G544 PolarHBondContact N-O 2.86Å; M541-G544 PolarHBondContact O-N 3.02Å; M541-G544 VanDerWaalsContact O-O 3.09Å
545	V	86.1	Confident	88.4	Confident	58 Å²	58	59.7 Å²	59.7	35%	0.352	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	145.4	-178.4	-71.8	0	0	0	0	111.5	Q451 V466 I538 I539	Q451-V545 HydrophobicContact CG-CG2 4.47Å; V466-V545 HydrophobicContact CG2-CB 4.23Å; V466-V545 HydrophobicContact CG2-CG2 3.79Å; I538-V545 HydrophobicContact CG2-CB 3.73Å; I538-V545 HydrophobicContact CG2-CG1 3.85Å; I539-V545 WeakPolarHBondContact O-CA 3.45Å
546	R	88.1	Confident	88	Confident	93 Å²	93	65.3 Å²	65.3	35%	0.351	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	139	175.3	172.7	175.6	177.5	-176.2	1.6	111.1	I538 I539 M541	I538-R546 WeakPolarHBondContact CA-O 3.5Å; I539-R546 HydrophobicContact CD1-CB 4.47Å; I539-R546 HydrophobicContact CG1-CB 3.99Å; I539-R546 HydrophobicContact CG1-CG 4.48Å; I539-R546 WeakPolarHBondContact CG1-O 3.29Å; I539-R546 PolarHBondContact N-O 3.24Å; I539-R546 PolarHBondContact O-N 3.28Å; M541-R546 HydrophobicContact CE-CB 3.59Å; M541-R546 HydrophobicContact CE-CG 4.3Å; M541-R546 HydrophobicContact SD-CB 4.35Å
547	L	92.5	Very high	87.7	Confident	8 Å²	8	67.9 Å²	67.9	4%	0.042	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	134.1	170.2	-166.9	68.8	0	0	0	110.4	L453 V464 V466 L506 L536 I538 W560	L453-L547 HydrophobicContact CD2-CD1 3.64Å; L453-L547 HydrophobicContact CD2-CD2 3.57Å; L453-L547 HydrophobicContact CD2-CG 4.25Å; V464-L547 HydrophobicContact CB-CD2 3.99Å; V464-L547 HydrophobicContact CG1-CD2 3.76Å; V466-L547 HydrophobicContact CG1-CB 4.21Å; V466-L547 HydrophobicContact CG1-CD1 3.9Å; V466-L547 HydrophobicContact CG1-CG 4.48Å; L506-L547 HydrophobicContact CD1-CD2 3.75Å; L506-L547 HydrophobicContact CD1-CG 3.76Å; L536-L547 HydrophobicContact CD1-CD1 3.61Å; L536-L547 HydrophobicContact CD1-CD2 4.04Å; L536-L547 HydrophobicContact CD1-CG 3.74Å; L536-L547 HydrophobicContact CD2-CD1 4.21Å; L536-L547 HydrophobicContact CG-CD1 3.75Å; L536-L547 HydrophobicContact CG-CG 4.44Å; I538-L547 HydrophobicContact CG1-CD1 4.42Å; L547-W560 HydrophobicContact CD1-CH2 3.59Å; L547-W560 HydrophobicContact CD1-CZ2 3.7Å
548	T	92.4	Very high	87.6	Confident	1 Å²	1	67.8 Å²	67.8	1%	0.006	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	167.2	176.9	-175	0	0	0	0	111.1	G504 V537 I539 R550	G504-T548 WeakPolarHBondContact O-CA 3.27Å; G504-T548 PolarHBondContact O-OG1 3.42Å; V537-T548 HydrophobicContact CG2-CG2 3.55Å; V537-T548 WeakPolarHBondContact CG2-O 3.29Å; V537-T548 PolarHBondContact N-O 3.28Å; V537-T548 PolarHBondContact O-N 3.31Å; I539-T548 HydrophobicContact CD1-CG2 4.06Å; I539-T548 HydrophobicContact CG1-CG2 4.06Å; I539-T548 HydrophobicContact CG2-CG2 3.84Å; T548-R550 HydrophobicContact CG2-CG 4.12Å
549	L	92.8	Very high	87.7	Confident	1 Å²	1	70.1 Å²	70.1	1%	0.005	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	130.5	166.6	-64	175.6	0	0	0	111.2	G504 L506 H529 L534 C535 L536	G504-L549 PolarHBondContact O-N 3.41Å; L506-L549 HydrophobicContact CD1-CD2 4.44Å; L506-L549 HydrophobicContact CD1-CG 4.29Å; L506-L549 HydrophobicContact CD2-CD1 4.33Å; L506-L549 HydrophobicContact CD2-CD2 4.38Å; L506-L549 HydrophobicContact CD2-CG 4.33Å; L506-L549 HydrophobicContact CG-CG 4.37Å; H529-L549 HydrophobicContact CB-CD1 3.97Å; H529-L549 HydrophobicContact CB-CD2 3.88Å; L534-L549 HydrophobicContact CB-CB 3.83Å; L534-L549 HydrophobicContact CD1-CB 4.02Å; C535-L549 WeakPolarHBondContact O-CA 3.3Å; L536-L549 HydrophobicContact CD1-CD2 4.21Å
550	R	91.8	Very high	88.1	Confident	103 Å²	103	69.1 Å²	69.1	39%	0.389	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	170.6	175	-74.2	-168	174.6	-176.3	-2.4	112.1	L534 C535 V537 I539 T548 C552	L534-R550 CarbonylContact C-O 3.59Å; L534-R550 VanDerWaalsContact CA-O 3.3Å; L534-R550 WeakPolarHBondContact CA-O 3.36Å; L534-R550 VanDerWaalsContact CB-O 3.29Å; L534-R550 WeakPolarHBondContact CB-O 3.47Å; C535-R550 PolarHBondContact N-O 3.37Å; C535-R550 PolarHBondContact O-N 2.75Å; V537-R550 HydrophobicContact CG1-CB 4.38Å; V537-R550 HydrophobicContact CG2-CB 3.75Å; V537-R550 HydrophobicContact CG2-CG 3.74Å; I539-R550 VanDerWaalsContact CG2-CZ 3.47Å; T548-R550 HydrophobicContact CG2-CG 4.12Å; R550-C552 PolarHBondContact O-N 2.96Å
551	V	91	Very high	88.7	Confident	85 Å²	85	67.9 Å²	67.9	52%	0.515	36%	0.364	S	S	.	.			trans	-54.6	134.1	173.3	179.6	0	0	0	0	109	V501 L534 T553	V501-V551 HydrophobicContact CG1-CG2 4.15Å; V501-V551 HydrophobicContact CG2-CG2 4.19Å; L534-V551 HydrophobicContact CD2-CG2 4.29Å; V551-T553 PolarHBondContact O-N 3.46Å
552	C	90.9	Very high	89.4	Confident	45 Å²	45	65.7 Å²	65.7	30%	0.304	35%	0.354	S	S	.	.			trans	-64.1	125.5	177.7	-66	0	0	0	0	110.9	C535 R550	C535-C552 HydrophobicContact CB-CB 3.97Å; C535-C552 WeakPolarHBondContact CB-SG 3.36Å; C535-C552 PolarHBondContact N-SG 3.3Å; C535-C552 WeakPolarHBondContact SG-CA 3.24Å; C535-C552 WeakPolarHBondContact SG-CB 3.43Å; C535-C552 CovalentContact SG-SG 2.04Å; C535-C552 PolarHBondContact SG-SG 3.44Å; R550-C552 PolarHBondContact O-N 2.96Å
553	T	90.5	Very high	90.1	Very high	56 Å²	56	59.6 Å²	59.6	34%	0.344	31%	0.311	S	S	.	.			trans	-131.2	149	178.7	48.1	0	0	0	0	109	Q526 V551 T555 S558	Q526-T553 PolarHBondContact NE2-O 2.84Å; V551-T553 PolarHBondContact O-N 3.46Å; T553-T555 WeakPolarHBondContact CB-OG1 3.3Å; T553-T555 PolarHBondContact O-N 2.89Å; T553-T555 PolarHBondContact OG1-OG1 3.48Å; T553-S558 PolarHBondContact O-OG 2.83Å
554	N	87.2	Confident	90.9	Very high	138 Å²	138	52 Å²	52	74%	0.738	28%	0.282	S	S	*	.	S	Bend	trans	-80.6	48.7	176	-71.2	-9.3	0	0	0	111.4
555	T	88.4	Confident	91.5	Very high	64 Å²	64	54.4 Å²	54.4	39%	0.393	29%	0.286	S	S	.	.	S	Bend	trans	-116.9	151.9	-177.6	47.8	0	0	0	0	110	T553 D557 S558	T553-T555 WeakPolarHBondContact CB-OG1 3.3Å; T553-T555 PolarHBondContact O-N 2.89Å; T553-T555 PolarHBondContact OG1-OG1 3.48Å; T555-D557 VanDerWaalsContact C-OD1 3.31Å; T555-D557 WeakPolarHBondContact CB-OD1 2.97Å; T555-D557 PolarHBondContact O-N 3.26Å; T555-D557 VanDerWaalsContact O-N 3.13Å; T555-D557 PolarHBondContact OG1-OD1 3.47Å; T555-S558 PolarHBondContact O-N 3.04Å; T555-S558 VanDerWaalsContact O-N 3.1Å; T555-S558 PolarHBondContact O-OG 2.04Å
556	Q	86.8	Confident	91.8	Very high	117 Å²	117	51.8 Å²	51.8	55%	0.547	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-64.8	-18.7	-170.7	-65.1	-172.1	1	0	0	114.4	H447 K448 S558 Y559	H447-Q556 PolarHBondContact NE2-O 2.87Å; H447-Q556 VanDerWaalsContact NE2-O 3.16Å; K448-Q556 HydrophobicContact CD-CB 4.18Å; K448-Q556 HydrophobicContact CD-CG 4.05Å; Q556-S558 PolarHBondContact O-N 2.49Å; Q556-Y559 PolarHBondContact O-N 3.33Å
557	D	88.6	Confident	91.7	Very high	54 Å²	54	52.5 Å²	52.5	29%	0.289	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-69.7	-12	175.1	63.3	-32.4	0	0	0	114	H447 V537 I538 T555	H447-D557 VanDerWaalsContact NE2-C 3.34Å; H447-D557 WeakPolarHBondContact NE2-CA 3.37Å; H447-D557 PolarHBondContact NE2-O 2.88Å; V537-D557 VanDerWaalsContact CA-O 3.27Å; V537-D557 WeakPolarHBondContact CA-O 3.06Å; V537-D557 WeakPolarHBondContact CB-O 3.35Å; I538-D557 PolarHBondContact N-O 3.42Å; I538-D557 VanDerWaalsContact N-O 3.11Å; T555-D557 VanDerWaalsContact C-OD1 3.31Å; T555-D557 WeakPolarHBondContact CB-OD1 2.97Å; T555-D557 PolarHBondContact O-N 3.26Å; T555-D557 VanDerWaalsContact O-N 3.13Å; T555-D557 PolarHBondContact OG1-OD1 3.47Å
558	S	90.9	Very high	91	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-106	1.9	175.5	72.6	0	0	0	0	113.7	Q526 T553 T555 Q556	Q526-S558 PolarHBondContact NE2-OG 2.66Å; T553-S558 PolarHBondContact O-OG 2.83Å; T555-S558 PolarHBondContact O-N 3.04Å; T555-S558 VanDerWaalsContact O-N 3.1Å; T555-S558 PolarHBondContact O-OG 2.04Å; Q556-S558 PolarHBondContact O-N 2.49Å
559	Y	94.4	Very high	89.6	Confident	59 Å²	59	61 Å²	61	23%	0.231	33%	0.331	C	S	.	.			trans	-96.8	122.7	-171.4	-70.6	-1.8	0	0	0	112.5	H447 K448 N525 Q526 Q556	H447-Y559 PolarHBondContact CD2-O 2.77Å; K448-Y559 PolarHBondContact N-O 2.96Å; N525-Y559 HydrophobicContact CB-CD1 4.14Å; N525-Y559 HydrophobicContact CB-CG 4.07Å; N525-Y559 CarbonylContact O-C 3.44Å; N525-Y559 WeakPolarHBondContact O-CA 3.49Å; Q526-Y559 HydrophobicContact CG-CD1 4.24Å; Q526-Y559 HydrophobicContact CG-CE1 4.32Å; Q556-Y559 PolarHBondContact O-N 3.33Å
560	W	96.2	Very high	87.9	Confident	2 Å²	2	65.6 Å²	65.6	1%	0.008	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	136.7	-177.6	-57.4	90.5	0	0	0	110.7	I445 R446 H447 L453 V466 N525 I527 L536 I538 L547	I445-W560 HydrophobicContact CG2-CB 4.41Å; I445-W560 HydrophobicContact CG2-CD2 4.35Å; I445-W560 HydrophobicContact CG2-CE3 3.75Å; I445-W560 HydrophobicContact CG2-CZ3 4.41Å; R446-W560 CarbonylContact O-C 3.59Å; R446-W560 VanDerWaalsContact O-CA 3.28Å; R446-W560 WeakPolarHBondContact O-CA 3.1Å; H447-W560 HydrophobicContact CB-CD2 4.44Å; H447-W560 HydrophobicContact CB-CE3 3.79Å; H447-W560 HydrophobicContact CB-CH2 4.08Å; H447-W560 HydrophobicContact CB-CZ3 3.61Å; L453-W560 HydrophobicContact CD2-CH2 3.63Å; L453-W560 HydrophobicContact CD2-CZ3 3.69Å; L453-W560 HydrophobicContact CG-CH2 4.33Å; L453-W560 HydrophobicContact CG-CZ3 3.89Å; V466-W560 HydrophobicContact CG1-CH2 4.16Å; N525-W560 PolarHBondContact O-N 2.8Å; I527-W560 HydrophobicContact CD1-CB 3.8Å; I527-W560 HydrophobicContact CD1-CD2 4.21Å; I527-W560 HydrophobicContact CD1-CG 3.73Å; I527-W560 HydrophobicContact CG1-CB 4.11Å; I527-W560 HydrophobicContact CG1-CG 4.1Å; L536-W560 HydrophobicContact CD2-CD2 4.47Å; L536-W560 HydrophobicContact CD2-CH2 4.41Å; L536-W560 HydrophobicContact CD2-CZ2 3.91Å; L536-W560 HydrophobicContact CG-CZ2 3.79Å; L536-W560 PolarHBondContact O-NE1 3.38Å; I538-W560 HydrophobicContact CD1-CH2 3.73Å; I538-W560 HydrophobicContact CD1-CZ2 4.38Å; I538-W560 HydrophobicContact CD1-CZ3 4.34Å; I538-W560 HydrophobicContact CG1-CH2 3.62Å; I538-W560 HydrophobicContact CG1-CZ2 3.85Å; L547-W560 HydrophobicContact CD1-CH2 3.59Å; L547-W560 HydrophobicContact CD1-CZ2 3.7Å
561	T	96.5	Very high	86	Confident	85 Å²	85	64.3 Å²	64.3	52%	0.521	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	120.3	164.7	-55.3	0	0	0	0	108.2	R446	R446-T561 PolarHBondContact N-O 2.94Å; R446-T561 PolarHBondContact O-N 2.9Å
562	L	96	Very high	84	Confident	40 Å²	40	65.2 Å²	65.2	21%	0.209	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-75.8	153.6	179.3	-55.4	-178.8	0	0	0	111.2	I480 F522 I527	I480-L562 HydrophobicContact CD1-CB 4.4Å; I480-L562 HydrophobicContact CD1-CD2 4.06Å; F522-L562 HydrophobicContact CB-CD1 3.95Å; F522-L562 HydrophobicContact CD1-CD1 3.7Å; F522-L562 HydrophobicContact CD1-CD2 3.64Å; F522-L562 HydrophobicContact CD1-CG 4.33Å; F522-L562 HydrophobicContact CE1-CD2 3.95Å; F522-L562 HydrophobicContact CG-CD1 4.02Å; I527-L562 HydrophobicContact CD1-CD2 3.94Å; I527-L562 HydrophobicContact CG1-CD2 4.07Å
563	P	94	Very high	82.1	Confident	2 Å²	2	68.1 Å²	68.1	1%	0.013	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-59	160	173.3	16.8	-26.6	0	0	0	111.9	R441 E444 I445 I480	R441-P563 HydrophobicContact CB-CB 4.31Å; R441-P563 HydrophobicContact CB-CG 3.88Å; R441-P563 VanDerWaalsContact CD-O 3.27Å; R441-P563 WeakPolarHBondContact CD-O 3.44Å; R441-P563 PolarHBondContact NH1-O 2.88Å; E444-P563 WeakPolarHBondContact O-CD 3.2Å; I445-P563 VanDerWaalsContact CG1-CD 3.49Å; I445-P563 HydrophobicContact CG1-CG 4.06Å; I480-P563 HydrophobicContact CD1-CG 3.98Å; I480-P563 HydrophobicContact CG1-CG 4.4Å
564	P	93.2	Very high	81.7	Confident	43 Å²	43	68.8 Å²	68.8	28%	0.279	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-61.6	162.3	177	29.9	-38.4	0	0	0	112.5	R441 L442 I571	R441-P564 WeakPolarHBondContact CA-O 3.37Å; R441-P564 VanDerWaalsContact CB-O 3.26Å; R441-P564 WeakPolarHBondContact CB-O 3.16Å; L442-P564 PolarHBondContact N-O 2.79Å; P564-I571 HydrophobicContact CB-CD1 3.09Å; P564-I571 HydrophobicContact CG-CD1 3.34Å
565	L	94	Very high	81.4	Confident	89 Å²	89	65.1 Å²	65.1	47%	0.466	37%	0.369	S	S	.	.	B	Isolated β-bridge	trans	-62.5	139.2	175	-66.2	172.6	0	0	0	110.1	I440 R441 N567 D568	I440-L565 CarbonylContact O-C 3.58Å; I440-L565 WeakPolarHBondContact O-CA 3.25Å; R441-L565 HydrophobicContact CG-CD2 4.08Å; L565-N567 VanDerWaalsContact C-N 3.25Å; L565-N567 PolarHBondContact O-N 2.81Å; L565-D568 HydrophobicContact CB-CB 4.09Å; L565-D568 VanDerWaalsContact O-CB 3.24Å; L565-D568 WeakPolarHBondContact O-CB 3.41Å; L565-D568 PolarHBondContact O-N 2.93Å
566	F	92.1	Very high	81.1	Confident	3 Å²	3	65.2 Å²	65.2	1%	0.013	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-27.9	-176.4	175.2	-108	0	0	0	113.4	Q387 Y388 R390 F391 V439 I440 L442	Q387-F566 HydrophobicContact CB-CE1 4.19Å; Q387-F566 HydrophobicContact CB-CZ 4.22Å; Q387-F566 HydrophobicContact CG-CE1 3.65Å; Q387-F566 HydrophobicContact CG-CZ 3.97Å; Q387-F566 WeakPolarHBondContact O-CZ 3.47Å; Y388-F566 HydrophobicContact CD1-CE1 4.44Å; Y388-F566 AromaticContact CD1-CZ 3.97Å; Y388-F566 HydrophobicContact CD1-CZ 3.97Å; Y388-F566 HydrophobicContact CE1-CE1 4.37Å; Y388-F566 HydrophobicContact CE1-CZ 4.34Å; Y388-F566 HydrophobicContact CG-CZ 4.23Å; R390-F566 HydrophobicContact CB-CE2 4.15Å; R390-F566 PolarHBondContact NH1-O 3.18Å; F391-F566 HydrophobicContact CD2-CE2 4.07Å; F391-F566 HydrophobicContact CD2-CZ 4.49Å; F391-F566 HydrophobicContact CE2-CD2 4.44Å; F391-F566 AromaticContact CE2-CE2 3.7Å; F391-F566 HydrophobicContact CE2-CE2 3.7Å; F391-F566 HydrophobicContact CE2-CZ 4.06Å; V439-F566 HydrophobicContact CB-CD1 4.49Å; V439-F566 HydrophobicContact CB-CG 4.41Å; V439-F566 HydrophobicContact CG1-CB 4.43Å; V439-F566 HydrophobicContact CG1-CD1 3.42Å; V439-F566 VanDerWaalsContact CG1-CD1 3.42Å; V439-F566 HydrophobicContact CG1-CD2 4.06Å; V439-F566 HydrophobicContact CG1-CE1 3.45Å; V439-F566 VanDerWaalsContact CG1-CE1 3.45Å; V439-F566 HydrophobicContact CG1-CE2 4.13Å; V439-F566 HydrophobicContact CG1-CG 3.7Å; V439-F566 HydrophobicContact CG1-CZ 3.83Å; V439-F566 HydrophobicContact CG2-CB 4.04Å; V439-F566 HydrophobicContact CG2-CD2 4.06Å; V439-F566 HydrophobicContact CG2-CG 3.95Å; I440-F566 PolarHBondContact O-N 3.31Å; L442-F566 HydrophobicContact CB-CD2 3.9Å; L442-F566 HydrophobicContact CD2-CD2 3.96Å; L442-F566 HydrophobicContact CD2-CE2 3.95Å
567	N	85.4	Confident	80.7	Confident	108 Å²	108	62.1 Å²	62.1	58%	0.578	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	0.8	174.9	-64.7	-14.3	0	0	0	112.8	Q387 L565 T569	Q387-N567 PolarHBondContact NE2-OD1 3.05Å; Q387-N567 PolarHBondContact OE1-OD1 2.69Å; L565-N567 VanDerWaalsContact C-N 3.25Å; L565-N567 PolarHBondContact O-N 2.81Å; N567-T569 PolarHBondContact O-N 2.82Å; N567-T569 VanDerWaalsContact O-N 3.14Å
568	D	77.8	Confident	80.2	Confident	56 Å²	56	62.6 Å²	62.6	30%	0.299	36%	0.361	S	S	.	.			trans	-73.1	108.2	176.5	-171.2	-5.3	0	0	0	109.7	R390 L565 S570	R390-D568 PolarHBondContact NH1-O 2.81Å; L565-D568 HydrophobicContact CB-CB 4.09Å; L565-D568 VanDerWaalsContact O-CB 3.24Å; L565-D568 WeakPolarHBondContact O-CB 3.41Å; L565-D568 PolarHBondContact O-N 2.93Å; D568-S570 VanDerWaalsContact CG-OG 3.24Å; D568-S570 VanDerWaalsContact OD1-CB 3.24Å; D568-S570 WeakPolarHBondContact OD1-CB 3.39Å; D568-S570 PolarHBondContact OD1-N 3.07Å; D568-S570 PolarHBondContact OD1-OG 3.03Å; D568-S570 PolarHBondContact OD2-OG 3.26Å
569	T	63.5	Low	79.5	Confident	132 Å²	132	66.8 Å²	66.8	81%	0.81	39%	0.385	S	S	*	.			trans	-87.5	-6.6	179.1	54.8	0	0	0	0	113.1	N567 I571	N567-T569 PolarHBondContact O-N 2.82Å; N567-T569 VanDerWaalsContact O-N 3.14Å; T569-I571 PolarHBondContact O-N 3Å
570	S	55.7	Low	78.4	Confident	97 Å²	97	67.4 Å²	67.4	68%	0.678	40%	0.396	S	S	*	.	S	Bend	trans	-66.2	-17.6	176.5	70	0	0	0	0	112.7	D568 S572	D568-S570 VanDerWaalsContact CG-OG 3.24Å; D568-S570 VanDerWaalsContact OD1-CB 3.24Å; D568-S570 WeakPolarHBondContact OD1-CB 3.39Å; D568-S570 PolarHBondContact OD1-N 3.07Å; D568-S570 PolarHBondContact OD1-OG 3.03Å; D568-S570 PolarHBondContact OD2-OG 3.26Å; S570-S572 PolarHBondContact O-N 3.36Å
571	I	52.5	Low	77.1	Confident	75 Å²	75	72.4 Å²	72.4	39%	0.385	43%	0.426	S	S	.	.	S	Bend	trans	-90.7	95.4	174.5	-54.4	178.4	0	0	0	106.8	P564 T569 L573	P564-I571 HydrophobicContact CB-CD1 3.09Å; P564-I571 HydrophobicContact CG-CD1 3.34Å; T569-I571 PolarHBondContact O-N 3Å; I571-L573 PolarHBondContact O-N 2.87Å
572	S	49.7	Very low	75.5	Confident	104 Å²	104	71.3 Å²	71.3	73%	0.727	42%	0.418	S	S	*	.			trans	-55.4	131.2	167.3	59.3	0	0	0	0	108.7	S570	S570-S572 PolarHBondContact O-N 3.36Å
573	L	51.7	Low	73.6	Confident	107 Å²	107	74.2 Å²	74.2	56%	0.56	44%	0.437	S	S	*	.			trans	-56.1	0	167.2	-78.1	169.3	0	0	0	111	R390 F393 M394 L400 I571	R390-L573 HydrophobicContact CG-CD1 4.48Å; R390-L573 HydrophobicContact CG-CD2 4.26Å; F393-L573 HydrophobicContact CB-CD1 4.18Å; F393-L573 HydrophobicContact CB-CD2 3.72Å; F393-L573 HydrophobicContact CB-CG 4.47Å; F393-L573 HydrophobicContact CD2-CD1 3.52Å; F393-L573 HydrophobicContact CE2-CD1 4.12Å; F393-L573 HydrophobicContact CG-CD1 4.02Å; F393-L573 HydrophobicContact CG-CD2 4.46Å; M394-L573 HydrophobicContact CG-CD2 4.44Å; L400-L573 WeakPolarHBondContact CD1-OXT 3.2Å; L400-L573 HydrophobicContact CD2-CB 4.2Å; I571-L573 PolarHBondContact O-N 2.87Å

Retrieved 573 of 573 residues in 681.1 ms (Link to these results)

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