A0A5K4F4R4_SCHMA Loading...

alkaline phosphatase AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F4R4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 571 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	39.7	Very low	40.5	Very low	202 Å²	202	143.4 Å²	143.4	100%	0.995	67%	0.67	S	S	*	*				0	-57.5	0	-68.6	-167.9	112.2	0	0	115.3	S3	M1-S3 PolarHBondContact O-N 2.99Å
2	R	40.1	Very low	40.6	Very low	185 Å²	185	141.7 Å²	141.7	70%	0.698	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	-27	-175.2	-87	-173.3	-179	-177.9	-0.4	116.4	M6	R2-M6 WeakPolarHBondContact O-CG 3.35Å
3	S	44.4	Very low	40.9	Very low	94 Å²	94	147.2 Å²	147.2	66%	0.657	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	-40.7	-178.6	56	0	0	0	0	113.1	M1 C5 M6	M1-S3 PolarHBondContact O-N 2.99Å; S3-C5 VanDerWaalsContact C-N 3.28Å; S3-C5 PolarHBondContact O-N 3.3Å; S3-M6 PolarHBondContact O-N 3.36Å
4	E	40.9	Very low	41.2	Very low	142 Å²	142	149.9 Å²	149.9	66%	0.664	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	-27.9	-172.5	-70.7	167.3	146.2	0	0	113.1	T7	E4-T7 PolarHBondContact O-OG1 2.72Å
5	C	42.2	Very low	41.3	Very low	34 Å²	34	145.1 Å²	145.1	23%	0.23	67%	0.666	C	S	.	*	T	Hydrogen-bonded Turn	trans	-91.3	-12	-176.5	-136	0	0	0	0	114	S3 T7 I61 C63	S3-C5 VanDerWaalsContact C-N 3.28Å; S3-C5 PolarHBondContact O-N 3.3Å; C5-T7 VanDerWaalsContact C-N 3.34Å; C5-T7 PolarHBondContact O-N 3.3Å; C5-I61 WeakPolarHBondContact SG-CG2 3.22Å; C5-C63 HydrophobicContact CB-CB 4.38Å; C5-C63 WeakPolarHBondContact CB-SG 3.47Å; C5-C63 WeakPolarHBondContact SG-CB 3.25Å; C5-C63 CovalentContact SG-SG 2.07Å; C5-C63 PolarHBondContact SG-SG 2.81Å
6	M	39.5	Very low	41.5	Very low	139 Å²	139	147.5 Å²	147.5	69%	0.685	67%	0.668	S	S	*	*	G	3₁₀ helix	trans	-77.3	-13.6	178.7	-74.7	-122.4	-71.9	0	0	114.4	R2 S3 K8 F9	R2-M6 WeakPolarHBondContact O-CG 3.35Å; S3-M6 PolarHBondContact O-N 3.36Å; M6-K8 PolarHBondContact O-N 2.86Å; M6-F9 PolarHBondContact O-N 2.93Å
7	T	42.2	Very low	41.7	Very low	90 Å²	90	145.5 Å²	145.5	55%	0.552	66%	0.66	S	S	*	*	G	3₁₀ helix	trans	-66.6	-21.9	-174.4	-27.1	0	0	0	0	113.3	E4 C5	E4-T7 PolarHBondContact O-OG1 2.72Å; C5-T7 VanDerWaalsContact C-N 3.34Å; C5-T7 PolarHBondContact O-N 3.3Å
8	K	38.4	Very low	41.8	Very low	139 Å²	139	145.7 Å²	145.7	60%	0.604	66%	0.656	S	S	*	*	G	3₁₀ helix	trans	-82	-8.2	176.7	-89.1	-179	176.3	172.9	0	114.7	M6 R10	M6-K8 PolarHBondContact O-N 2.86Å; K8-R10 PolarHBondContact O-N 3.21Å; K8-R10 VanDerWaalsContact O-N 3.11Å
9	F	37.7	Very low	41.8	Very low	136 Å²	136	140.8 Å²	140.8	60%	0.596	64%	0.635	S	S	*	*	G	3₁₀ helix	trans	-77.8	14.6	173.8	-89	-83.2	0	0	0	114.3	M6 K11 F12	M6-F9 PolarHBondContact O-N 2.93Å; F9-K11 PolarHBondContact O-N 2.99Å; F9-K11 VanDerWaalsContact O-N 3.11Å; F9-F12 PolarHBondContact O-N 3Å
10	R	40.9	Very low	42.2	Very low	218 Å²	218	139 Å²	139	82%	0.823	63%	0.63	S	S	*	*	G	3₁₀ helix	trans	-59.7	-18.5	176.2	-86.1	-176.4	169.1	-173.7	-2.3	114.4	K8	K8-R10 PolarHBondContact O-N 3.21Å; K8-R10 VanDerWaalsContact O-N 3.11Å
11	K	39.5	Very low	42.4	Very low	198 Å²	198	138.4 Å²	138.4	86%	0.861	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-79.7	-7.6	179.2	-80.8	-172	174.8	-176.4	0	115.4	F9	F9-K11 PolarHBondContact O-N 2.99Å; F9-K11 VanDerWaalsContact O-N 3.11Å
12	F	41.3	Very low	42.5	Very low	123 Å²	123	134.4 Å²	134.4	54%	0.539	61%	0.607	S	S	.	*			trans	-112.7	62.7	173.1	-75.1	-83.3	0	0	0	111.5	F9 F14 V15 R16	F9-F12 PolarHBondContact O-N 3Å; F12-F14 PolarHBondContact O-N 3.46Å; F12-F14 VanDerWaalsContact O-N 3.16Å; F12-V15 HydrophobicContact CB-CB 4.07Å; F12-V15 HydrophobicContact CB-CG2 3.95Å; F12-V15 HydrophobicContact CD1-CG2 4.05Å; F12-V15 HydrophobicContact CG-CG2 4.32Å; F12-V15 PolarHBondContact O-N 3.26Å; F12-V15 VanDerWaalsContact O-N 3.14Å; F12-R16 PolarHBondContact O-N 2.84Å
13	R	44.4	Very low	42.7	Very low	214 Å²	214	132.6 Å²	132.6	81%	0.808	61%	0.612	S	S	*	*	H	α-helix	trans	-52.3	-36.3	177	-139.3	179.1	-169.1	177.4	2.5	111.6	Q17	R13-Q17 WeakPolarHBondContact O-CB 3.22Å; R13-Q17 PolarHBondContact O-N 2.84Å
14	F	45.3	Very low	42.4	Very low	185 Å²	185	132.5 Å²	132.5	81%	0.811	60%	0.601	S	S	*	*	H	α-helix	trans	-66.4	-43.6	178.6	-129.5	-88.8	0	0	0	113.7	F12 Q17 Y18	F12-F14 PolarHBondContact O-N 3.46Å; F12-F14 VanDerWaalsContact O-N 3.16Å; F14-Q17 PolarHBondContact O-N 2.97Å; F14-Y18 WeakPolarHBondContact O-CB 3.45Å; F14-Y18 PolarHBondContact O-N 2.88Å
15	V	43.7	Very low	42.6	Very low	77 Å²	77	129.7 Å²	129.7	47%	0.467	59%	0.594	S	S	.	*	H	α-helix	trans	-68.7	-38.9	179.6	-179.9	0	0	0	0	110.6	F12 L19	F12-V15 HydrophobicContact CB-CB 4.07Å; F12-V15 HydrophobicContact CB-CG2 3.95Å; F12-V15 HydrophobicContact CD1-CG2 4.05Å; F12-V15 HydrophobicContact CG-CG2 4.32Å; F12-V15 PolarHBondContact O-N 3.26Å; F12-V15 VanDerWaalsContact O-N 3.14Å; V15-L19 HydrophobicContact CG1-CD1 3.87Å; V15-L19 HydrophobicContact CG1-CG 4.45Å; V15-L19 WeakPolarHBondContact O-CB 3.46Å; V15-L19 WeakPolarHBondContact O-CG 3.23Å; V15-L19 PolarHBondContact O-N 2.81Å; V15-L19 VanDerWaalsContact O-N 3.11Å
16	R	44	Very low	42.7	Very low	184 Å²	184	133.3 Å²	133.3	69%	0.694	62%	0.615	S	S	*	*	H	α-helix	trans	-67	-42.6	177.1	-169.5	179.3	-178.9	-132.1	0.7	112	F12 I20	F12-R16 PolarHBondContact O-N 2.84Å; R16-I20 HydrophobicContact CG-CD1 3.89Å; R16-I20 WeakPolarHBondContact O-CD1 3.29Å; R16-I20 VanDerWaalsContact O-CG1 3.23Å; R16-I20 WeakPolarHBondContact O-CG1 3.27Å; R16-I20 PolarHBondContact O-N 3.36Å; R16-I20 VanDerWaalsContact O-N 3.14Å
17	Q	45.5	Very low	42.7	Very low	114 Å²	114	133.7 Å²	133.7	53%	0.533	61%	0.613	S	S	.	*	H	α-helix	trans	-63.1	-48.5	178.2	-163.7	97.5	11.5	0	0	110.9	R13 F14 L19 I20 E21	R13-Q17 WeakPolarHBondContact O-CB 3.22Å; R13-Q17 PolarHBondContact O-N 2.84Å; F14-Q17 PolarHBondContact O-N 2.97Å; Q17-L19 VanDerWaalsContact C-N 3.34Å; Q17-L19 PolarHBondContact O-N 3.39Å; Q17-I20 PolarHBondContact O-N 2.88Å; Q17-I20 VanDerWaalsContact O-N 3.16Å; Q17-E21 WeakPolarHBondContact CG-OE1 3.37Å; Q17-E21 WeakPolarHBondContact O-CG 3.34Å; Q17-E21 PolarHBondContact O-N 2.79Å
18	Y	42.4	Very low	42.5	Very low	149 Å²	149	132 Å²	132	58%	0.584	60%	0.602	S	S	*	*	H	α-helix	trans	-59.2	-41	178.5	-176.1	-98.5	0	0	0	113.1	F14 Q22	F14-Y18 WeakPolarHBondContact O-CB 3.45Å; F14-Y18 PolarHBondContact O-N 2.88Å; Y18-Q22 PolarHBondContact O-N 2.93Å
19	L	41.9	Very low	42.8	Very low	52 Å²	52	128.7 Å²	128.7	27%	0.272	59%	0.593	S	S	.	*	H	α-helix	trans	-73.4	-25.5	178.9	-70	173	0	0	0	113.9	V15 Q17 V28	V15-L19 HydrophobicContact CG1-CD1 3.87Å; V15-L19 HydrophobicContact CG1-CG 4.45Å; V15-L19 WeakPolarHBondContact O-CB 3.46Å; V15-L19 WeakPolarHBondContact O-CG 3.23Å; V15-L19 PolarHBondContact O-N 2.81Å; V15-L19 VanDerWaalsContact O-N 3.11Å; Q17-L19 VanDerWaalsContact C-N 3.34Å; Q17-L19 PolarHBondContact O-N 3.39Å; L19-V28 HydrophobicContact CD2-CB 4.49Å; L19-V28 HydrophobicContact CD2-CG1 4.21Å; L19-V28 HydrophobicContact CD2-CG2 4.42Å
20	I	50	Low	42.9	Very low	104 Å²	104	126.3 Å²	126.3	53%	0.533	59%	0.587	S	S	.	*	H	α-helix	trans	-78.5	-44.3	174.6	-70.6	168.9	0	0	0	110	R16 Q17 Q22 N23	R16-I20 HydrophobicContact CG-CD1 3.89Å; R16-I20 WeakPolarHBondContact O-CD1 3.29Å; R16-I20 VanDerWaalsContact O-CG1 3.23Å; R16-I20 WeakPolarHBondContact O-CG1 3.27Å; R16-I20 PolarHBondContact O-N 3.36Å; R16-I20 VanDerWaalsContact O-N 3.14Å; Q17-I20 PolarHBondContact O-N 2.88Å; Q17-I20 VanDerWaalsContact O-N 3.16Å; I20-Q22 VanDerWaalsContact C-N 3.27Å; I20-Q22 PolarHBondContact O-N 3.42Å; I20-N23 PolarHBondContact O-N 3.34Å
21	E	46.1	Very low	42.8	Very low	128 Å²	128	121.1 Å²	121.1	60%	0.598	58%	0.575	S	S	*	*	H	α-helix	trans	-63.5	-30.6	-179.7	-76.3	172.2	-172.4	0	0	113	Q17	Q17-E21 WeakPolarHBondContact CG-OE1 3.37Å; Q17-E21 WeakPolarHBondContact O-CG 3.34Å; Q17-E21 PolarHBondContact O-N 2.79Å
22	Q	41.8	Very low	42.9	Very low	117 Å²	117	114.7 Å²	114.7	55%	0.547	55%	0.552	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.8	2.6	178.7	-67.7	-63.7	-38.6	0	0	114.6	Y18 I20 Q24	Y18-Q22 PolarHBondContact O-N 2.93Å; I20-Q22 VanDerWaalsContact C-N 3.27Å; I20-Q22 PolarHBondContact O-N 3.42Å; Q22-Q24 VanDerWaalsContact O-CG 3.3Å; Q22-Q24 WeakPolarHBondContact O-CG 3.44Å; Q22-Q24 PolarHBondContact O-N 2.86Å
23	N	45.3	Very low	43	Very low	148 Å²	148	116.2 Å²	116.2	79%	0.791	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	44.3	37.8	176.4	-151.3	13.1	0	0	0	114.9	I20	I20-N23 PolarHBondContact O-N 3.34Å
24	Q	38.7	Very low	43.2	Very low	91 Å²	91	113.1 Å²	113.1	43%	0.425	55%	0.549	S	S	.	.			trans	-128.6	34.7	-175.1	-76.8	-154.9	17.6	0	0	113.7	Q22 T26 K27 V28	Q22-Q24 VanDerWaalsContact O-CG 3.3Å; Q22-Q24 WeakPolarHBondContact O-CG 3.44Å; Q22-Q24 PolarHBondContact O-N 2.86Å; Q24-T26 PolarHBondContact O-N 2.79Å; Q24-K27 HydrophobicContact CB-CB 4.44Å; Q24-K27 PolarHBondContact O-N 2.81Å; Q24-V28 HydrophobicContact CB-CG2 4.06Å; Q24-V28 WeakPolarHBondContact O-CG2 3.31Å; Q24-V28 PolarHBondContact O-N 3.46Å
25	T	43.7	Very low	43.2	Very low	84 Å²	84	108.8 Å²	108.8	52%	0.515	53%	0.534	S	S	.	.	H	α-helix	trans	-60.1	-30.7	-177.5	2.8	0	0	0	0	113.6	V29	T25-V29 VanDerWaalsContact O-CG2 3.27Å; T25-V29 WeakPolarHBondContact O-CG2 3.23Å
26	T	44.6	Very low	43.2	Very low	109 Å²	109	110.7 Å²	110.7	67%	0.669	54%	0.54	S	S	*	.	H	α-helix	trans	-89.3	-34.3	179.6	-38.1	0	0	0	0	112.9	Q24 N30	Q24-T26 PolarHBondContact O-N 2.79Å; T26-N30 PolarHBondContact O-N 3.43Å
27	K	39.1	Very low	43.3	Very low	148 Å²	148	106.6 Å²	106.6	64%	0.643	53%	0.531	S	S	*	.	H	α-helix	trans	-71.6	-42.7	178.7	-85.7	-177.2	176	178.7	0	111.6	Q24 V29 N30 L31	Q24-K27 HydrophobicContact CB-CB 4.44Å; Q24-K27 PolarHBondContact O-N 2.81Å; K27-V29 PolarHBondContact O-N 3.4Å; K27-N30 PolarHBondContact O-N 3.24Å; K27-L31 VanDerWaalsContact O-CB 3.29Å; K27-L31 WeakPolarHBondContact O-CB 2.91Å; K27-L31 PolarHBondContact O-N 3.41Å
28	V	39.6	Very low	43.4	Very low	53 Å²	53	104.6 Å²	104.6	32%	0.321	53%	0.528	S	S	.	.	H	α-helix	trans	-65.5	-41.4	179.9	176.3	0	0	0	0	111.6	L19 Q24 N30 L31 V32	L19-V28 HydrophobicContact CD2-CB 4.49Å; L19-V28 HydrophobicContact CD2-CG1 4.21Å; L19-V28 HydrophobicContact CD2-CG2 4.42Å; Q24-V28 HydrophobicContact CB-CG2 4.06Å; Q24-V28 WeakPolarHBondContact O-CG2 3.31Å; Q24-V28 PolarHBondContact O-N 3.46Å; V28-N30 PolarHBondContact O-N 2.96Å; V28-L31 PolarHBondContact O-N 3.43Å; V28-V32 HydrophobicContact CG1-CG2 4.16Å; V28-V32 WeakPolarHBondContact O-CB 3.33Å; V28-V32 WeakPolarHBondContact O-CG2 3.17Å; V28-V32 PolarHBondContact O-N 2.84Å
29	V	43.7	Very low	43.8	Very low	71 Å²	71	102.3 Å²	102.3	43%	0.43	53%	0.525	S	S	.	.	H	α-helix	trans	-66.2	-38.3	179.7	174.9	0	0	0	0	111.9	T25 K27 R33	T25-V29 VanDerWaalsContact O-CG2 3.27Å; T25-V29 WeakPolarHBondContact O-CG2 3.23Å; K27-V29 PolarHBondContact O-N 3.4Å; V29-R33 WeakPolarHBondContact O-CB 3.32Å; V29-R33 PolarHBondContact O-N 2.84Å; V29-R33 VanDerWaalsContact O-N 3.14Å
30	N	40.1	Very low	44.3	Very low	85 Å²	85	103.4 Å²	103.4	46%	0.455	53%	0.534	S	S	.	.	H	α-helix	trans	-73.7	-37.7	176	-76.3	-11.6	0	0	0	112.1	T26 K27 V28 R33 Q34	T26-N30 PolarHBondContact O-N 3.43Å; K27-N30 PolarHBondContact O-N 3.24Å; V28-N30 PolarHBondContact O-N 2.96Å; N30-R33 PolarHBondContact O-N 3.47Å; N30-Q34 WeakPolarHBondContact O-CB 3.22Å; N30-Q34 PolarHBondContact O-N 3.31Å
31	L	38.7	Very low	44.4	Very low	110 Å²	110	103.2 Å²	103.2	58%	0.576	53%	0.534	S	S	*	.	H	α-helix	trans	-64.2	-41.8	175.9	-151	88.5	0	0	0	111.7	K27 V28 N35	K27-L31 VanDerWaalsContact O-CB 3.29Å; K27-L31 WeakPolarHBondContact O-CB 2.91Å; K27-L31 PolarHBondContact O-N 3.41Å; V28-L31 PolarHBondContact O-N 3.43Å; L31-N35 WeakPolarHBondContact O-CB 3.14Å; L31-N35 PolarHBondContact O-N 3.4Å
32	V	41.6	Very low	45.1	Very low	63 Å²	63	101.4 Å²	101.4	38%	0.382	54%	0.535	S	S	.	.	I	π-helix	trans	-65.8	-39.5	176.3	171.8	0	0	0	0	111	V28 M36 L37	V28-V32 HydrophobicContact CG1-CG2 4.16Å; V28-V32 WeakPolarHBondContact O-CB 3.33Å; V28-V32 WeakPolarHBondContact O-CG2 3.17Å; V28-V32 PolarHBondContact O-N 2.84Å; V32-M36 PolarHBondContact O-N 2.96Å; V32-L37 PolarHBondContact O-N 3.02Å
33	R	42.8	Very low	46.1	Very low	155 Å²	155	101.1 Å²	101.1	59%	0.585	54%	0.542	S	S	*	.	I	π-helix	trans	-69.6	-42.3	178.4	-109	-178.2	177.2	-170.2	-6	113.8	V29 N30	V29-R33 WeakPolarHBondContact O-CB 3.32Å; V29-R33 PolarHBondContact O-N 2.84Å; V29-R33 VanDerWaalsContact O-N 3.14Å; N30-R33 PolarHBondContact O-N 3.47Å
34	Q	48.8	Very low	46.8	Very low	148 Å²	148	94.8 Å²	94.8	69%	0.692	51%	0.51	S	S	*	.	I	π-helix	trans	-85.7	-35.3	-173.1	-72.8	-178.4	-27.1	0	0	112.6	N30	N30-Q34 WeakPolarHBondContact O-CB 3.22Å; N30-Q34 PolarHBondContact O-N 3.31Å
35	N	45.1	Very low	48.2	Very low	95 Å²	95	94.6 Å²	94.6	51%	0.508	52%	0.516	S	S	.	.	I	π-helix	trans	-112.9	-27.4	-170.7	-65.9	-24.1	0	0	0	114.7	L31 N39	L31-N35 WeakPolarHBondContact O-CB 3.14Å; L31-N35 PolarHBondContact O-N 3.4Å; N35-N39 PolarHBondContact O-ND2 3.44Å
36	M	43.7	Very low	49.7	Very low	117 Å²	117	99.4 Å²	99.4	58%	0.576	53%	0.53	S	S	*	.	I	π-helix	trans	-99.4	-42.4	-175.8	-68.1	-153.4	157	0	0	113.6	V32 N39 V40	V32-M36 PolarHBondContact O-N 2.96Å; M36-N39 PolarHBondContact O-N 3.15Å; M36-V40 WeakPolarHBondContact O-CB 3.44Å; M36-V40 WeakPolarHBondContact O-CG2 3.41Å; M36-V40 PolarHBondContact O-N 2.85Å
37	L	45.4	Very low	51	Low	98 Å²	98	98.7 Å²	98.7	51%	0.513	53%	0.528	S	S	.	.	H	α-helix	trans	-63.3	-44.8	-174.8	-140.5	78.9	0	0	0	113.7	V32 L41	V32-L37 PolarHBondContact O-N 3.02Å; L37-L41 HydrophobicContact CG-CD1 4.24Å; L37-L41 WeakPolarHBondContact O-CB 3.4Å; L37-L41 VanDerWaalsContact O-CD1 3.32Å; L37-L41 WeakPolarHBondContact O-CD1 3.34Å; L37-L41 WeakPolarHBondContact O-CG 3.16Å; L37-L41 PolarHBondContact O-N 2.94Å
38	P	48.4	Very low	52.7	Low	72 Å²	72	95.5 Å²	95.5	47%	0.468	52%	0.517	S	S	.	.	H	α-helix	trans	-66.6	-39.6	178.6	-19.3	32.2	0	0	0	112.7	S42	P38-S42 PolarHBondContact O-N 3.24Å
39	N	50.1	Low	54.5	Low	100 Å²	100	95.9 Å²	95.9	54%	0.535	52%	0.517	S	S	.	.	H	α-helix	trans	-75.8	-34.3	-176.3	-74.2	-25.6	0	0	0	113.1	N35 M36 S42 T43	N35-N39 PolarHBondContact O-ND2 3.44Å; M36-N39 PolarHBondContact O-N 3.15Å; N39-S42 PolarHBondContact O-OG 3.37Å; N39-T43 PolarHBondContact O-N 2.76Å; N39-T43 PolarHBondContact O-OG1 3.4Å
40	V	52.6	Low	56.1	Low	75 Å²	75	99.8 Å²	99.8	46%	0.455	53%	0.528	S	S	.	.	H	α-helix	trans	-71.4	-36.5	174.7	174	0	0	0	0	110.5	M36 S42 A44	M36-V40 WeakPolarHBondContact O-CB 3.44Å; M36-V40 WeakPolarHBondContact O-CG2 3.41Å; M36-V40 PolarHBondContact O-N 2.85Å; V40-S42 VanDerWaalsContact C-N 3.35Å; V40-S42 PolarHBondContact O-N 3.2Å; V40-A44 WeakPolarHBondContact O-CB 3.44Å; V40-A44 PolarHBondContact O-N 3.17Å
41	L	52.9	Low	57.8	Low	100 Å²	100	101.9 Å²	101.9	52%	0.524	53%	0.534	S	S	.	.	H	α-helix	trans	-70.1	-28.1	178.6	-73.3	167.5	0	0	0	113.2	L37 L49	L37-L41 HydrophobicContact CG-CD1 4.24Å; L37-L41 WeakPolarHBondContact O-CB 3.4Å; L37-L41 VanDerWaalsContact O-CD1 3.32Å; L37-L41 WeakPolarHBondContact O-CD1 3.34Å; L37-L41 WeakPolarHBondContact O-CG 3.16Å; L37-L41 PolarHBondContact O-N 2.94Å; L41-L49 HydrophobicContact CD2-CD2 3.54Å
42	S	60.8	Low	59.7	Low	91 Å²	91	100.1 Å²	100.1	64%	0.636	52%	0.524	S	S	*	.	H	α-helix	trans	-85.9	-24	178.5	70.3	0	0	0	0	114.2	P38 N39 V40	P38-S42 PolarHBondContact O-N 3.24Å; N39-S42 PolarHBondContact O-OG 3.37Å; V40-S42 VanDerWaalsContact C-N 3.35Å; V40-S42 PolarHBondContact O-N 3.2Å
43	T	63.5	Low	61.3	Low	111 Å²	111	99.7 Å²	99.7	68%	0.681	53%	0.528	S	S	*	.	H	α-helix	trans	-108.1	-14.8	-176	58.5	0	0	0	0	114.2	N39 P45	N39-T43 PolarHBondContact O-N 2.76Å; N39-T43 PolarHBondContact O-OG1 3.4Å; T43-P45 WeakPolarHBondContact O-CD 3.49Å
44	A	58.1	Low	62.9	Low	15 Å²	15	94.6 Å²	94.6	12%	0.124	51%	0.513	C	S	.	.	S	Bend	trans	-65.5	123.9	178.3	0	0	0	0	0	110.4	V40 K46 L48 L49	V40-A44 WeakPolarHBondContact O-CB 3.44Å; V40-A44 PolarHBondContact O-N 3.17Å; A44-K46 PolarHBondContact O-N 2.93Å; A44-L48 HydrophobicContact CB-CB 4.48Å; A44-L48 HydrophobicContact CB-CD2 4.05Å; A44-L49 HydrophobicContact CB-CD1 4.34Å; A44-L49 HydrophobicContact CB-CG 4.11Å
45	P	68.9	Low	64.1	Low	86 Å²	86	90.7 Å²	90.7	56%	0.558	50%	0.497	S	S	*	.			trans	-59.5	138.9	173.7	24.2	-31.3	0	0	0	109	T43 P47 L48	T43-P45 WeakPolarHBondContact O-CD 3.49Å; P45-P47 VanDerWaalsContact O-CD 3.3Å; P45-P47 WeakPolarHBondContact O-CD 3.23Å; P45-L48 HydrophobicContact CG-CB 4.37Å; P45-L48 WeakPolarHBondContact O-CB 3.26Å; P45-L48 PolarHBondContact O-N 3.42Å
46	K	75.9	Confident	65.3	Low	186 Å²	186	91.3 Å²	91.3	81%	0.809	50%	0.499	S	S	*	.	H	α-helix	trans	-42.3	-36.7	-176.8	-69	-179.7	179.6	177.4	0	115.3	A44 L48 L49 F50	A44-K46 PolarHBondContact O-N 2.93Å; K46-L48 VanDerWaalsContact C-N 3.33Å; K46-L48 PolarHBondContact O-N 3.25Å; K46-L49 PolarHBondContact O-N 3.33Å; K46-F50 PolarHBondContact O-N 2.93Å
47	P	71.9	Confident	66.4	Low	94 Å²	94	89.5 Å²	89.5	61%	0.61	50%	0.498	S	S	*	.	H	α-helix	trans	-62	-35	175.1	-21.9	33.6	0	0	0	113.9	P45 F50 F51	P45-P47 VanDerWaalsContact O-CD 3.3Å; P45-P47 WeakPolarHBondContact O-CD 3.23Å; P47-F50 PolarHBondContact O-N 3.28Å; P47-F51 WeakPolarHBondContact O-CB 3.4Å; P47-F51 PolarHBondContact O-N 3.22Å
48	L	74.1	Confident	67.3	Low	81 Å²	81	91.3 Å²	91.3	42%	0.424	51%	0.507	S	S	.	.	H	α-helix	trans	-71.9	-39.7	179.6	-174	66.1	0	0	0	111.5	A44 P45 K46 F50 F51 I52	A44-L48 HydrophobicContact CB-CB 4.48Å; A44-L48 HydrophobicContact CB-CD2 4.05Å; P45-L48 HydrophobicContact CG-CB 4.37Å; P45-L48 WeakPolarHBondContact O-CB 3.26Å; P45-L48 PolarHBondContact O-N 3.42Å; K46-L48 VanDerWaalsContact C-N 3.33Å; K46-L48 PolarHBondContact O-N 3.25Å; L48-F50 VanDerWaalsContact C-N 3.34Å; L48-F51 PolarHBondContact O-N 3.39Å; L48-I52 HydrophobicContact CG-CD1 4.33Å; L48-I52 VanDerWaalsContact O-CG1 3.31Å; L48-I52 WeakPolarHBondContact O-CG1 3.28Å; L48-I52 PolarHBondContact O-N 3.14Å
49	L	77.7	Confident	67.7	Low	61 Å²	61	95.6 Å²	95.6	32%	0.319	52%	0.515	S	S	.	.	H	α-helix	trans	-61.8	-43.3	171.6	-84.5	159.9	0	0	0	111.4	L41 A44 K46 F51 I52 A53	L41-L49 HydrophobicContact CD2-CD2 3.54Å; A44-L49 HydrophobicContact CB-CD1 4.34Å; A44-L49 HydrophobicContact CB-CG 4.11Å; K46-L49 PolarHBondContact O-N 3.33Å; L49-F51 VanDerWaalsContact C-N 3.34Å; L49-I52 PolarHBondContact O-N 3.4Å; L49-A53 WeakPolarHBondContact O-CB 3.32Å; L49-A53 PolarHBondContact O-N 3.32Å
50	F	77.8	Confident	67.7	Low	152 Å²	152	98.3 Å²	98.3	67%	0.667	52%	0.523	S	S	*	.	H	α-helix	trans	-62.1	-42.8	173.7	-171.5	-99.5	0	0	0	111.2	K46 P47 L48 A53 V54	K46-F50 PolarHBondContact O-N 2.93Å; P47-F50 PolarHBondContact O-N 3.28Å; L48-F50 VanDerWaalsContact C-N 3.34Å; F50-A53 PolarHBondContact O-N 3.45Å; F50-V54 HydrophobicContact CD1-CG2 3.9Å; F50-V54 HydrophobicContact CE1-CG2 3.61Å; F50-V54 HydrophobicContact CE2-CG2 4.49Å; F50-V54 HydrophobicContact CG-CG2 4.46Å; F50-V54 HydrophobicContact CZ-CG2 3.94Å; F50-V54 WeakPolarHBondContact O-CB 3.4Å; F50-V54 VanDerWaalsContact O-CG2 3.24Å; F50-V54 WeakPolarHBondContact O-CG2 3.26Å; F50-V54 PolarHBondContact O-N 3.26Å
51	F	75.9	Confident	67.8	Low	129 Å²	129	99.1 Å²	99.1	57%	0.566	52%	0.523	S	S	*	.	H	α-helix	trans	-64.3	-41.1	177.4	-156.8	-103.1	0	0	0	112.4	P47 L48 L49 V54 I55	P47-F51 WeakPolarHBondContact O-CB 3.4Å; P47-F51 PolarHBondContact O-N 3.22Å; L48-F51 PolarHBondContact O-N 3.39Å; L49-F51 VanDerWaalsContact C-N 3.34Å; F51-V54 PolarHBondContact O-N 3.31Å; F51-I55 HydrophobicContact CD1-CD1 3.51Å; F51-I55 HydrophobicContact CD1-CG1 4.21Å; F51-I55 HydrophobicContact CE1-CD1 3.51Å; F51-I55 HydrophobicContact CE1-CG1 4.24Å; F51-I55 WeakPolarHBondContact O-CB 3.24Å; F51-I55 VanDerWaalsContact O-CG1 3.24Å; F51-I55 WeakPolarHBondContact O-CG1 3.47Å; F51-I55 PolarHBondContact O-N 3.21Å
52	I	77.2	Confident	67.8	Low	73 Å²	73	100.7 Å²	100.7	37%	0.374	53%	0.528	S	S	.	.	H	α-helix	trans	-64.3	-43	173.5	-68.5	166.7	0	0	0	110.6	L48 L49 I55 L56	L48-I52 HydrophobicContact CG-CD1 4.33Å; L48-I52 VanDerWaalsContact O-CG1 3.31Å; L48-I52 WeakPolarHBondContact O-CG1 3.28Å; L48-I52 PolarHBondContact O-N 3.14Å; L49-I52 PolarHBondContact O-N 3.4Å; I52-I55 PolarHBondContact O-N 2.96Å; I52-L56 HydrophobicContact CG2-CD1 3.81Å; I52-L56 HydrophobicContact CG2-CG 4.32Å; I52-L56 WeakPolarHBondContact O-CB 3.3Å; I52-L56 VanDerWaalsContact O-CG 3.26Å; I52-L56 WeakPolarHBondContact O-CG 3.5Å; I52-L56 PolarHBondContact O-N 2.94Å
53	A	75.9	Confident	67.7	Low	55 Å²	55	99.9 Å²	99.9	46%	0.455	52%	0.521	S	S	.	.	H	α-helix	trans	-64.7	-39.6	177.1	0	0	0	0	0	112.1	L49 F50 L56 S57	L49-A53 WeakPolarHBondContact O-CB 3.32Å; L49-A53 PolarHBondContact O-N 3.32Å; F50-A53 PolarHBondContact O-N 3.45Å; A53-L56 PolarHBondContact O-N 3.46Å; A53-S57 WeakPolarHBondContact O-CB 3.31Å; A53-S57 PolarHBondContact O-N 3.21Å; A53-S57 PolarHBondContact O-OG 3.35Å
54	V	76.9	Confident	67.8	Low	47 Å²	47	104.2 Å²	104.2	29%	0.285	53%	0.531	S	S	.	.	H	α-helix	trans	-66.5	-43.4	173.9	170.3	0	0	0	0	110.8	F50 F51 L56 S57 L58	F50-V54 HydrophobicContact CD1-CG2 3.9Å; F50-V54 HydrophobicContact CE1-CG2 3.61Å; F50-V54 HydrophobicContact CE2-CG2 4.49Å; F50-V54 HydrophobicContact CG-CG2 4.46Å; F50-V54 HydrophobicContact CZ-CG2 3.94Å; F50-V54 WeakPolarHBondContact O-CB 3.4Å; F50-V54 VanDerWaalsContact O-CG2 3.24Å; F50-V54 WeakPolarHBondContact O-CG2 3.26Å; F50-V54 PolarHBondContact O-N 3.26Å; F51-V54 PolarHBondContact O-N 3.31Å; V54-L56 PolarHBondContact O-N 3.27Å; V54-S57 WeakPolarHBondContact CA-OG 2.93Å; V54-S57 PolarHBondContact O-N 3.37Å; V54-S57 PolarHBondContact O-OG 2.72Å; V54-L58 HydrophobicContact CG1-CD1 3.74Å; V54-L58 HydrophobicContact CG1-CG 4.22Å; V54-L58 VanDerWaalsContact O-CB 3.3Å; V54-L58 WeakPolarHBondContact O-CB 3Å; V54-L58 WeakPolarHBondContact O-CG 3.38Å; V54-L58 PolarHBondContact O-N 2.63Å
55	I	73.5	Confident	67.9	Low	67 Å²	67	109 Å²	109	34%	0.344	56%	0.563	S	S	.	*	H	α-helix	trans	-59.3	-49.5	172.7	-74	173.6	0	0	0	109.6	F51 I52 S57 L58 Y59	F51-I55 HydrophobicContact CD1-CD1 3.51Å; F51-I55 HydrophobicContact CD1-CG1 4.21Å; F51-I55 HydrophobicContact CE1-CD1 3.51Å; F51-I55 HydrophobicContact CE1-CG1 4.24Å; F51-I55 WeakPolarHBondContact O-CB 3.24Å; F51-I55 VanDerWaalsContact O-CG1 3.24Å; F51-I55 WeakPolarHBondContact O-CG1 3.47Å; F51-I55 PolarHBondContact O-N 3.21Å; I52-I55 PolarHBondContact O-N 2.96Å; I55-S57 VanDerWaalsContact C-N 3.29Å; I55-S57 PolarHBondContact O-N 3.49Å; I55-L58 PolarHBondContact O-N 3.38Å; I55-Y59 HydrophobicContact CG2-CD2 3.62Å; I55-Y59 HydrophobicContact CG2-CE2 3.85Å; I55-Y59 WeakPolarHBondContact O-CB 3.43Å; I55-Y59 WeakPolarHBondContact O-CD2 3.02Å; I55-Y59 PolarHBondContact O-N 2.92Å
56	L	69.2	Low	67.9	Low	108 Å²	108	108.8 Å²	108.8	57%	0.565	56%	0.564	S	S	*	*	H	α-helix	trans	-65.7	-28.5	179.1	-71.2	170.8	0	0	0	113.2	I52 A53 V54 Y59	I52-L56 HydrophobicContact CG2-CD1 3.81Å; I52-L56 HydrophobicContact CG2-CG 4.32Å; I52-L56 WeakPolarHBondContact O-CB 3.3Å; I52-L56 VanDerWaalsContact O-CG 3.26Å; I52-L56 WeakPolarHBondContact O-CG 3.5Å; I52-L56 PolarHBondContact O-N 2.94Å; A53-L56 PolarHBondContact O-N 3.46Å; V54-L56 PolarHBondContact O-N 3.27Å; L56-Y59 CarbonylContact O-C 3.58Å
57	S	67.1	Low	68	Low	79 Å²	79	106.2 Å²	106.2	55%	0.552	57%	0.57	S	S	*	*	H	α-helix	trans	-79.3	-34	175.1	73.6	0	0	0	0	112.5	A53 V54 I55 K60	A53-S57 WeakPolarHBondContact O-CB 3.31Å; A53-S57 PolarHBondContact O-N 3.21Å; A53-S57 PolarHBondContact O-OG 3.35Å; V54-S57 WeakPolarHBondContact CA-OG 2.93Å; V54-S57 PolarHBondContact O-N 3.37Å; V54-S57 PolarHBondContact O-OG 2.72Å; I55-S57 VanDerWaalsContact C-N 3.29Å; I55-S57 PolarHBondContact O-N 3.49Å; S57-K60 PolarHBondContact O-N 3.44Å
58	L	65.2	Low	68.7	Low	135 Å²	135	103.9 Å²	103.9	71%	0.707	55%	0.551	S	S	*	*	H	α-helix	trans	-70	-38.6	171.4	-70.5	170.5	0	0	0	111.4	V54 I55 K60	V54-L58 HydrophobicContact CG1-CD1 3.74Å; V54-L58 HydrophobicContact CG1-CG 4.22Å; V54-L58 VanDerWaalsContact O-CB 3.3Å; V54-L58 WeakPolarHBondContact O-CB 3Å; V54-L58 WeakPolarHBondContact O-CG 3.38Å; V54-L58 PolarHBondContact O-N 2.63Å; I55-L58 PolarHBondContact O-N 3.38Å; L58-K60 PolarHBondContact O-N 3.31Å; L58-K60 VanDerWaalsContact O-N 3.11Å
59	Y	57.1	Low	69.6	Low	162 Å²	162	104.6 Å²	104.6	64%	0.635	56%	0.556	S	S	*	*	S	Bend	trans	-83.7	63.7	164.4	-70.8	-80.3	0	0	0	108.7	I55 L56 I61	I55-Y59 HydrophobicContact CG2-CD2 3.62Å; I55-Y59 HydrophobicContact CG2-CE2 3.85Å; I55-Y59 WeakPolarHBondContact O-CB 3.43Å; I55-Y59 WeakPolarHBondContact O-CD2 3.02Å; I55-Y59 PolarHBondContact O-N 2.92Å; L56-Y59 CarbonylContact O-C 3.58Å; Y59-I61 WeakPolarHBondContact O-CG1 3.41Å; Y59-I61 PolarHBondContact O-N 2.03Å
60	K	49.8	Very low	70.3	Confident	158 Å²	158	103 Å²	103	69%	0.687	55%	0.549	S	S	*	.			trans	-51	96.1	155.8	-104.7	-175.9	179.6	180	0	106.2	S57 L58 E62	S57-K60 PolarHBondContact O-N 3.44Å; L58-K60 PolarHBondContact O-N 3.31Å; L58-K60 VanDerWaalsContact O-N 3.11Å; K60-E62 PolarHBondContact O-N 3.42Å
61	I	54.9	Low	71.1	Confident	91 Å²	91	97.3 Å²	97.3	47%	0.467	53%	0.529	S	S	.	.			trans	-71.6	81	166.5	-54.5	178.6	0	0	0	103	C5 Y59 C63	C5-I61 WeakPolarHBondContact SG-CG2 3.22Å; Y59-I61 WeakPolarHBondContact O-CG1 3.41Å; Y59-I61 PolarHBondContact O-N 2.03Å; I61-C63 PolarHBondContact O-N 2.64Å
62	E	51.7	Low	72	Confident	134 Å²	134	93.8 Å²	93.8	63%	0.626	52%	0.517	S	S	*	.			trans	-61.1	84.2	158	-77.5	172.4	174.2	0	0	105	K60 K64	K60-E62 PolarHBondContact O-N 3.42Å; E62-K64 PolarHBondContact O-N 2.77Å
63	C	60	Low	72.8	Confident	73 Å²	73	92.2 Å²	92.2	49%	0.493	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-61.4	122.3	154	-54.5	0	0	0	0	103.2	C5 I61 S65	C5-C63 HydrophobicContact CB-CB 4.38Å; C5-C63 WeakPolarHBondContact CB-SG 3.47Å; C5-C63 WeakPolarHBondContact SG-CB 3.25Å; C5-C63 CovalentContact SG-SG 2.07Å; C5-C63 PolarHBondContact SG-SG 2.81Å; I61-C63 PolarHBondContact O-N 2.64Å; C63-S65 PolarHBondContact O-N 2.99Å
64	K	64.2	Low	73.8	Confident	203 Å²	203	91.2 Å²	91.2	88%	0.883	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-55.1	117.9	171.1	-70.7	-177.6	175.1	-174.1	0	106.9	E62	E62-K64 PolarHBondContact O-N 2.77Å
65	S	61.7	Low	74.7	Confident	115 Å²	115	89.2 Å²	89.2	80%	0.804	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-76.1	127.4	166.4	49.3	0	0	0	0	107.4	C63	C63-S65 PolarHBondContact O-N 2.99Å
66	S	67.7	Low	75.8	Confident	82 Å²	82	86.3 Å²	86.3	57%	0.573	48%	0.479	S	S	*	.	P	Polyproline II helix	trans	-73.6	129.4	164.3	-174.6	0	0	0	0	107.8	L68	S66-L68 WeakPolarHBondContact CB-O 3.44Å; S66-L68 PolarHBondContact O-N 3Å; S66-L68 PolarHBondContact OG-N 3.23Å; S66-L68 PolarHBondContact OG-O 3.39Å
67	S	78	Confident	77.2	Confident	132 Å²	132	84.4 Å²	84.4	92%	0.923	47%	0.466	S	S	*	.	S	Bend	trans	-68	-20.7	169.2	53.8	0	0	0	0	111.9
68	L	87.2	Confident	78.6	Confident	44 Å²	44	86.3 Å²	86.3	23%	0.23	46%	0.461	C	S	.	.	S	Bend	trans	-116.3	126.2	-176.2	-165.7	72.8	0	0	0	110.8	S66 V70 T75 W76 L79	S66-L68 WeakPolarHBondContact CB-O 3.44Å; S66-L68 PolarHBondContact O-N 3Å; S66-L68 PolarHBondContact OG-N 3.23Å; S66-L68 PolarHBondContact OG-O 3.39Å; L68-V70 VanDerWaalsContact C-N 3.3Å; L68-V70 HydrophobicContact CB-CG2 4.49Å; L68-V70 HydrophobicContact CD2-CG2 4.19Å; L68-V70 HydrophobicContact CG-CG2 4.46Å; L68-V70 PolarHBondContact O-N 2.91Å; L68-T75 HydrophobicContact CD1-CG2 3.18Å; L68-T75 HydrophobicContact CD2-CG2 4.43Å; L68-T75 HydrophobicContact CG-CG2 3.62Å; L68-W76 HydrophobicContact CD2-CH2 3.59Å; L68-W76 HydrophobicContact CD2-CZ2 3.97Å; L68-W76 HydrophobicContact CD2-CZ3 4.19Å; L68-L79 HydrophobicContact CD1-CD1 3.9Å; L68-L79 HydrophobicContact CD2-CD1 4.47Å
69	N	92.1	Very high	80.2	Confident	96 Å²	96	82.7 Å²	82.7	51%	0.513	44%	0.442	S	S	.	.			trans	-79.6	81.9	169.6	-170.8	-2.3	0	0	0	110.1	A71 D72 T75	N69-A71 PolarHBondContact O-N 3.04Å; N69-A71 VanDerWaalsContact O-N 3.16Å; N69-D72 HydrophobicContact CB-CB 3.99Å; N69-D72 VanDerWaalsContact CG-CB 3.47Å; N69-D72 VanDerWaalsContact ND2-CB 3.35Å; N69-D72 WeakPolarHBondContact ND2-CB 3.42Å; N69-D72 PolarHBondContact O-N 3.2Å; N69-D72 VanDerWaalsContact O-N 3.07Å; N69-T75 WeakPolarHBondContact O-CB 3.28Å; N69-T75 PolarHBondContact O-OG1 3.04Å
70	V	94.3	Very high	82.1	Confident	29 Å²	29	75.1 Å²	75.1	18%	0.176	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-33.4	-176.2	176	0	0	0	0	112.5	L68 D72 W76 F149 K170	L68-V70 VanDerWaalsContact C-N 3.3Å; L68-V70 HydrophobicContact CB-CG2 4.49Å; L68-V70 HydrophobicContact CD2-CG2 4.19Å; L68-V70 HydrophobicContact CG-CG2 4.46Å; L68-V70 PolarHBondContact O-N 2.91Å; V70-D72 VanDerWaalsContact C-N 3.33Å; V70-W76 HydrophobicContact CB-CZ2 4.29Å; V70-W76 HydrophobicContact CG1-CZ2 3.97Å; V70-W76 HydrophobicContact CG2-CZ2 4.42Å; V70-W76 PolarHBondContact O-NE1 2.87Å; V70-F149 HydrophobicContact CG1-CE2 3.86Å; V70-F149 HydrophobicContact CG2-CE2 4.34Å; V70-K170 HydrophobicContact CG1-CB 4.12Å; V70-K170 HydrophobicContact CG1-CG 4Å
71	A	93.2	Very high	84.4	Confident	31 Å²	31	69.8 Å²	69.8	26%	0.256	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-17.1	-177.8	0	0	0	0	0	114	N69 P73 G180	N69-A71 PolarHBondContact O-N 3.04Å; N69-A71 VanDerWaalsContact O-N 3.16Å; A71-P73 WeakPolarHBondContact O-CD 3.01Å; A71-G180 WeakPolarHBondContact CB-O 3.48Å
72	D	94.2	Very high	86.3	Confident	56 Å²	56	69.8 Å²	69.8	30%	0.299	39%	0.39	S	S	.	.			trans	-89.2	119.7	-174.4	165.8	39.1	0	0	0	111.8	N69 V70 G74 T75	N69-D72 HydrophobicContact CB-CB 3.99Å; N69-D72 VanDerWaalsContact CG-CB 3.47Å; N69-D72 VanDerWaalsContact ND2-CB 3.35Å; N69-D72 WeakPolarHBondContact ND2-CB 3.42Å; N69-D72 PolarHBondContact O-N 3.2Å; N69-D72 VanDerWaalsContact O-N 3.07Å; V70-D72 VanDerWaalsContact C-N 3.33Å; D72-G74 PolarHBondContact O-N 3.02Å; D72-G74 PolarHBondContact OD1-N 3.08Å; D72-T75 WeakPolarHBondContact O-CB 3.38Å; D72-T75 PolarHBondContact O-N 2.85Å; D72-T75 VanDerWaalsContact O-N 3.15Å; D72-T75 PolarHBondContact OD2-N 3.31Å; D72-T75 PolarHBondContact OD2-OG1 2.8Å
73	P	95.7	Very high	88.4	Confident	39 Å²	39	66.2 Å²	66.2	25%	0.253	37%	0.371	S	S	.	.	H	α-helix	trans	-53.4	-36.4	173.6	-29.6	38.2	0	0	0	114.3	A71 T75 W76 K77 V169 T179	A71-P73 WeakPolarHBondContact O-CD 3.01Å; P73-T75 PolarHBondContact O-N 2.76Å; P73-W76 PolarHBondContact O-N 3.08Å; P73-K77 PolarHBondContact O-N 2.69Å; P73-K77 VanDerWaalsContact O-N 3.17Å; P73-V169 HydrophobicContact CB-CG1 3.62Å; P73-V169 HydrophobicContact CG-CG1 3.98Å; P73-T179 HydrophobicContact CG-CG2 3.72Å
74	G	95.7	Very high	90.1	Very high	35 Å²	35	62.9 Å²	62.9	36%	0.361	35%	0.348	S	S	.	.	H	α-helix	trans	-63.8	-29.4	-178.2	0	0	0	0	0	112.8	D72 R78	D72-G74 PolarHBondContact O-N 3.02Å; D72-G74 PolarHBondContact OD1-N 3.08Å; G74-R78 WeakPolarHBondContact O-CB 3.29Å; G74-R78 PolarHBondContact O-N 3.16Å
75	T	96.3	Very high	91.5	Very high	4 Å²	4	57.4 Å²	57.4	3%	0.025	33%	0.329	C	S	.	.	H	α-helix	trans	-65	-44.7	176.6	-71	0	0	0	0	112.2	L68 N69 D72 P73 R78 L79	L68-T75 HydrophobicContact CD1-CG2 3.18Å; L68-T75 HydrophobicContact CD2-CG2 4.43Å; L68-T75 HydrophobicContact CG-CG2 3.62Å; N69-T75 WeakPolarHBondContact O-CB 3.28Å; N69-T75 PolarHBondContact O-OG1 3.04Å; D72-T75 WeakPolarHBondContact O-CB 3.38Å; D72-T75 PolarHBondContact O-N 2.85Å; D72-T75 VanDerWaalsContact O-N 3.15Å; D72-T75 PolarHBondContact OD2-N 3.31Å; D72-T75 PolarHBondContact OD2-OG1 2.8Å; P73-T75 PolarHBondContact O-N 2.76Å; T75-R78 PolarHBondContact O-N 3.47Å; T75-L79 WeakPolarHBondContact O-CG 3.44Å; T75-L79 PolarHBondContact O-N 3.5Å
76	W	97.3	Very high	93	Very high	6 Å²	6	59.1 Å²	59.1	2%	0.023	32%	0.322	C	S	.	.	H	α-helix	trans	-72	-39.3	-179.9	-60.3	106.4	0	0	0	112.4	L68 V70 P73 R78 L79 A80 F149 G168 K170 D516 T518	L68-W76 HydrophobicContact CD2-CH2 3.59Å; L68-W76 HydrophobicContact CD2-CZ2 3.97Å; L68-W76 HydrophobicContact CD2-CZ3 4.19Å; V70-W76 HydrophobicContact CB-CZ2 4.29Å; V70-W76 HydrophobicContact CG1-CZ2 3.97Å; V70-W76 HydrophobicContact CG2-CZ2 4.42Å; V70-W76 PolarHBondContact O-NE1 2.87Å; P73-W76 PolarHBondContact O-N 3.08Å; W76-R78 PolarHBondContact O-N 3.27Å; W76-L79 HydrophobicContact CE3-CD1 4.18Å; W76-L79 HydrophobicContact CZ3-CD1 4.16Å; W76-L79 PolarHBondContact O-N 3.21Å; W76-A80 PolarHBondContact O-N 2.66Å; W76-F149 AromaticContact CH2-CZ 3.88Å; W76-F149 HydrophobicContact CH2-CZ 3.88Å; W76-F149 HydrophobicContact CZ2-CZ 4.4Å; W76-G168 WeakPolarHBondContact CB-O 3.01Å; W76-K170 HydrophobicContact CD2-CG 4.25Å; W76-K170 HydrophobicContact CH2-CG 4.14Å; W76-K170 HydrophobicContact CZ2-CB 4.45Å; W76-K170 HydrophobicContact CZ2-CD 4.16Å; W76-K170 HydrophobicContact CZ2-CG 3.31Å; W76-D516 HydrophobicContact CE3-CB 4.48Å; W76-D516 HydrophobicContact CZ3-CB 3.99Å; W76-D516 VanDerWaalsContact CZ3-CG 3.45Å; W76-T518 HydrophobicContact CB-CG2 4.4Å; W76-T518 HydrophobicContact CD2-CG2 3.89Å; W76-T518 HydrophobicContact CE3-CG2 4.12Å; W76-T518 HydrophobicContact CG-CG2 3.99Å
77	K	97.4	Very high	94.2	Very high	69 Å²	69	56 Å²	56	30%	0.3	30%	0.297	S	S	.	.	H	α-helix	trans	-58.8	-48	172.9	-168.2	-165	179.6	-52.9	0	111.4	P73 L79 A80 D81	P73-K77 PolarHBondContact O-N 2.69Å; P73-K77 VanDerWaalsContact O-N 3.17Å; K77-L79 PolarHBondContact O-N 3.05Å; K77-A80 WeakPolarHBondContact O-CB 2.98Å; K77-A80 PolarHBondContact O-N 3.42Å; K77-A80 VanDerWaalsContact O-N 3.13Å; K77-D81 IonicContact NZ-OD1 3.76Å; K77-D81 PolarHBondContact NZ-OD1 3.07Å; K77-D81 IonicContact NZ-OD2 3.7Å; K77-D81 PolarHBondContact NZ-OD2 3.04Å; K77-D81 PolarHBondContact O-N 2.89Å
78	R	97.6	Very high	94.7	Very high	118 Å²	118	52.2 Å²	52.2	45%	0.445	27%	0.265	S	S	.	.	H	α-helix	trans	-57.9	-46.6	178.9	-179.5	-179.4	62.5	-109.2	-4.2	111.9	G74 T75 W76 A80 D81 E82	G74-R78 WeakPolarHBondContact O-CB 3.29Å; G74-R78 PolarHBondContact O-N 3.16Å; T75-R78 PolarHBondContact O-N 3.47Å; W76-R78 PolarHBondContact O-N 3.27Å; R78-A80 VanDerWaalsContact C-N 3.28Å; R78-A80 PolarHBondContact O-N 3.12Å; R78-D81 PolarHBondContact O-N 3.29Å; R78-E82 WeakPolarHBondContact O-CG 3.49Å; R78-E82 PolarHBondContact O-N 2.68Å
79	L	97.3	Very high	94.7	Very high	60 Å²	60	57.9 Å²	57.9	31%	0.314	29%	0.291	S	S	.	.	H	α-helix	trans	-64.2	-32.8	177.6	-69.8	178.4	0	0	0	112.8	L68 T75 W76 K77 R83	L68-L79 HydrophobicContact CD1-CD1 3.9Å; L68-L79 HydrophobicContact CD2-CD1 4.47Å; T75-L79 WeakPolarHBondContact O-CG 3.44Å; T75-L79 PolarHBondContact O-N 3.5Å; W76-L79 HydrophobicContact CE3-CD1 4.18Å; W76-L79 HydrophobicContact CZ3-CD1 4.16Å; W76-L79 PolarHBondContact O-N 3.21Å; K77-L79 PolarHBondContact O-N 3.05Å; L79-R83 PolarHBondContact O-N 3.07Å
80	A	98.2	Very high	94.3	Very high	3 Å²	3	55 Å²	55	3%	0.025	28%	0.278	C	S	.	.	H	α-helix	trans	-69.2	-45.4	173.6	0	0	0	0	0	111.6	W76 K77 R78 E82 R83 F84 F519 H522	W76-A80 PolarHBondContact O-N 2.66Å; K77-A80 WeakPolarHBondContact O-CB 2.98Å; K77-A80 PolarHBondContact O-N 3.42Å; K77-A80 VanDerWaalsContact O-N 3.13Å; R78-A80 VanDerWaalsContact C-N 3.28Å; R78-A80 PolarHBondContact O-N 3.12Å; A80-E82 VanDerWaalsContact C-N 3.33Å; A80-E82 PolarHBondContact O-N 3.42Å; A80-R83 WeakPolarHBondContact O-CB 3.21Å; A80-R83 PolarHBondContact O-N 3.26Å; A80-F84 HydrophobicContact CB-CE2 3.9Å; A80-F84 HydrophobicContact CB-CZ 4.3Å; A80-F84 WeakPolarHBondContact O-CD2 3.5Å; A80-F84 WeakPolarHBondContact O-CG 3.5Å; A80-F84 PolarHBondContact O-N 3.26Å; A80-F519 HydrophobicContact CB-CD2 3.74Å; A80-F519 HydrophobicContact CB-CE2 4.07Å; A80-H522 HydrophobicContact CB-CB 3.51Å
81	D	97.7	Very high	93.4	Very high	45 Å²	45	58 Å²	58	24%	0.241	30%	0.301	C	S	.	.	H	α-helix	trans	-58.1	-44.1	177.4	-60	-16	0	0	0	110.9	K77 R78 R83 F84 D85 Y533	K77-D81 IonicContact NZ-OD1 3.76Å; K77-D81 PolarHBondContact NZ-OD1 3.07Å; K77-D81 IonicContact NZ-OD2 3.7Å; K77-D81 PolarHBondContact NZ-OD2 3.04Å; K77-D81 PolarHBondContact O-N 2.89Å; R78-D81 PolarHBondContact O-N 3.29Å; D81-R83 PolarHBondContact O-N 3.49Å; D81-F84 PolarHBondContact O-N 2.82Å; D81-D85 PolarHBondContact O-N 2.99Å; D81-Y533 VanDerWaalsContact OD1-CE1 3.26Å; D81-Y533 WeakPolarHBondContact OD1-CE1 3.41Å; D81-Y533 PolarHBondContact OD1-OH 3Å
82	E	96	Very high	92.4	Very high	92 Å²	92	58.5 Å²	58.5	43%	0.43	30%	0.302	S	S	.	.	H	α-helix	trans	-59.1	-30.2	174.7	-72	171.3	-160	0	0	113.6	R78 A80 K86	R78-E82 WeakPolarHBondContact O-CG 3.49Å; R78-E82 PolarHBondContact O-N 2.68Å; A80-E82 VanDerWaalsContact C-N 3.33Å; A80-E82 PolarHBondContact O-N 3.42Å; E82-K86 WeakPolarHBondContact O-CG 3.47Å
83	R	95.7	Very high	91.6	Very high	59 Å²	59	56.3 Å²	56.3	22%	0.223	29%	0.29	C	S	.	.	H	α-helix	trans	-78	-37.3	174.5	-72.4	-179.4	69.1	87.6	3	111.5	L79 A80 D81 K86 F87 L510 S513 S514 F519	L79-R83 PolarHBondContact O-N 3.07Å; A80-R83 WeakPolarHBondContact O-CB 3.21Å; A80-R83 PolarHBondContact O-N 3.26Å; D81-R83 PolarHBondContact O-N 3.49Å; R83-K86 PolarHBondContact O-N 3.42Å; R83-F87 PolarHBondContact O-N 2.98Å; R83-L510 PolarHBondContact NH2-O 2.94Å; R83-L510 VanDerWaalsContact NH2-O 3.08Å; R83-S513 PolarHBondContact NH1-OG 3.13Å; R83-S513 PolarHBondContact NH2-OG 2.87Å; R83-S514 PolarHBondContact NH1-O 3.01Å; R83-F519 HydrophobicContact CB-CD2 4.43Å; R83-F519 HydrophobicContact CB-CE2 3.59Å; R83-F519 HydrophobicContact CB-CZ 3.83Å; R83-F519 HydrophobicContact CG-CE2 4.21Å
84	F	95.5	Very high	90.3	Very high	2 Å²	2	58.9 Å²	58.9	1%	0.009	30%	0.301	C	S	.	.	H	α-helix	trans	-64.6	-42.6	175.1	-59.3	-42.4	0	0	0	111.3	A80 D81 K86 F87 E88 L510 F519 H522 A523 Y526 Y533	A80-F84 HydrophobicContact CB-CE2 3.9Å; A80-F84 HydrophobicContact CB-CZ 4.3Å; A80-F84 WeakPolarHBondContact O-CD2 3.5Å; A80-F84 WeakPolarHBondContact O-CG 3.5Å; A80-F84 PolarHBondContact O-N 3.26Å; D81-F84 PolarHBondContact O-N 2.82Å; F84-K86 VanDerWaalsContact C-N 3.25Å; F84-K86 PolarHBondContact O-N 3.02Å; F84-F87 CarbonylContact O-C 3.58Å; F84-F87 WeakPolarHBondContact O-CA 3.41Å; F84-F87 WeakPolarHBondContact O-CB 3.34Å; F84-F87 PolarHBondContact O-N 2.91Å; F84-E88 WeakPolarHBondContact O-CG 3.24Å; F84-E88 PolarHBondContact O-N 3.25Å; F84-L510 HydrophobicContact CD1-CD2 3.8Å; F84-L510 HydrophobicContact CE1-CD1 4.25Å; F84-L510 HydrophobicContact CE1-CD2 4.01Å; F84-F519 HydrophobicContact CD1-CE2 4.19Å; F84-F519 HydrophobicContact CD1-CZ 4.18Å; F84-F519 AromaticContact CE1-CE2 3.52Å; F84-F519 HydrophobicContact CE1-CE2 3.52Å; F84-F519 AromaticContact CE1-CZ 3.54Å; F84-F519 HydrophobicContact CE1-CZ 3.54Å; F84-F519 HydrophobicContact CE2-CE2 4.39Å; F84-F519 HydrophobicContact CZ-CD2 4.42Å; F84-F519 AromaticContact CZ-CE2 3.62Å; F84-F519 HydrophobicContact CZ-CE2 3.62Å; F84-F519 HydrophobicContact CZ-CZ 4.09Å; F84-H522 HydrophobicContact CE2-CB 4.19Å; F84-H522 HydrophobicContact CZ-CB 3.98Å; F84-A523 HydrophobicContact CE1-CB 4.27Å; F84-A523 HydrophobicContact CZ-CB 4.43Å; F84-Y526 HydrophobicContact CB-CD2 4.24Å; F84-Y526 HydrophobicContact CB-CE2 3.81Å; F84-Y526 AromaticContact CD1-CD1 3.98Å; F84-Y526 HydrophobicContact CD1-CD1 3.98Å; F84-Y526 AromaticContact CD1-CD2 3.94Å; F84-Y526 HydrophobicContact CD1-CD2 3.94Å; F84-Y526 HydrophobicContact CD1-CE1 4.17Å; F84-Y526 HydrophobicContact CD1-CE2 4.14Å; F84-Y526 AromaticContact CD1-CG 3.86Å; F84-Y526 HydrophobicContact CD1-CG 3.86Å; F84-Y526 AromaticContact CD2-CD2 3.67Å; F84-Y526 HydrophobicContact CD2-CD2 3.67Å; F84-Y526 HydrophobicContact CD2-CE2 4.13Å; F84-Y526 HydrophobicContact CD2-CG 4.19Å; F84-Y526 HydrophobicContact CE1-CD1 4.04Å; F84-Y526 HydrophobicContact CE1-CD2 4.25Å; F84-Y526 AromaticContact CE1-CG 3.82Å; F84-Y526 HydrophobicContact CE1-CG 3.82Å; F84-Y526 HydrophobicContact CE2-CD2 4.01Å; F84-Y526 HydrophobicContact CE2-CG 4.15Å; F84-Y526 AromaticContact CG-CD2 3.67Å; F84-Y526 HydrophobicContact CG-CD2 3.67Å; F84-Y526 AromaticContact CG-CE2 3.77Å; F84-Y526 HydrophobicContact CG-CE2 3.77Å; F84-Y526 HydrophobicContact CG-CG 4.09Å; F84-Y526 HydrophobicContact CZ-CD2 4.29Å; F84-Y526 AromaticContact CZ-CG 3.98Å; F84-Y526 HydrophobicContact CZ-CG 3.98Å; F84-Y533 AromaticContact CD2-CE1 3.86Å; F84-Y533 HydrophobicContact CD2-CE1 3.86Å; F84-Y533 HydrophobicContact CE2-CD1 4.4Å; F84-Y533 AromaticContact CE2-CE1 3.63Å; F84-Y533 HydrophobicContact CE2-CE1 3.63Å; F84-Y533 HydrophobicContact CE2-CE2 4.24Å; F84-Y533 AromaticContact CE2-CZ 3.56Å
85	D	93.7	Very high	89	Confident	89 Å²	89	63.7 Å²	63.7	48%	0.476	32%	0.318	S	S	.	.	H	α-helix	trans	-56.3	-40.2	176.5	-68.9	-18	0	0	0	112.2	D81 Q89	D81-D85 PolarHBondContact O-N 2.99Å; D85-Q89 VanDerWaalsContact O-CG 3.32Å; D85-Q89 WeakPolarHBondContact O-CG 3.42Å; D85-Q89 PolarHBondContact O-N 2.88Å; D85-Q89 PolarHBondContact O-NE2 2.62Å
86	K	92.2	Very high	87.9	Confident	151 Å²	151	66.9 Å²	66.9	66%	0.657	33%	0.334	S	S	*	.	H	α-helix	trans	-69.7	-40.2	174.9	-68.5	176.1	-175.1	177.4	0	112.3	E82 R83 F84 Q89 S90	E82-K86 WeakPolarHBondContact O-CG 3.47Å; R83-K86 PolarHBondContact O-N 3.42Å; F84-K86 VanDerWaalsContact C-N 3.25Å; F84-K86 PolarHBondContact O-N 3.02Å; K86-Q89 PolarHBondContact O-N 3.41Å; K86-S90 PolarHBondContact O-N 3Å
87	F	92	Very high	87.3	Confident	15 Å²	15	71.2 Å²	71.2	7%	0.066	35%	0.353	C	S	.	.	H	α-helix	trans	-64.2	-41.2	177.2	176.7	-112.1	0	0	0	111.6	R83 F84 Q89 S90 H93 F507 D509 L510 Y526	R83-F87 PolarHBondContact O-N 2.98Å; F84-F87 CarbonylContact O-C 3.58Å; F84-F87 WeakPolarHBondContact O-CA 3.41Å; F84-F87 WeakPolarHBondContact O-CB 3.34Å; F84-F87 PolarHBondContact O-N 2.91Å; F87-Q89 PolarHBondContact O-N 2.85Å; F87-S90 VanDerWaalsContact O-CB 3.25Å; F87-S90 WeakPolarHBondContact O-CB 3.46Å; F87-S90 PolarHBondContact O-N 3.39Å; F87-S90 PolarHBondContact O-OG 3.13Å; F87-H93 HydrophobicContact CD1-CB 4.32Å; F87-H93 HydrophobicContact CE1-CB 4.06Å; F87-H93 AromaticContact CE1-CD2 3.69Å; F87-H93 HydrophobicContact CE2-CB 4.47Å; F87-H93 HydrophobicContact CZ-CB 4.13Å; F87-H93 VanDerWaalsContact O-CB 3.23Å; F87-H93 WeakPolarHBondContact O-CB 3.26Å; F87-F507 AromaticContact CE1-CD1 3.95Å; F87-F507 HydrophobicContact CE1-CD1 3.95Å; F87-F507 HydrophobicContact CE1-CD2 4.29Å; F87-F507 HydrophobicContact CE1-CE1 4.11Å; F87-F507 HydrophobicContact CE1-CE2 4.43Å; F87-F507 HydrophobicContact CE1-CG 4.05Å; F87-F507 HydrophobicContact CE1-CZ 4.34Å; F87-F507 HydrophobicContact CZ-CB 4.32Å; F87-F507 AromaticContact CZ-CD1 3.77Å; F87-F507 HydrophobicContact CZ-CD1 3.77Å; F87-F507 HydrophobicContact CZ-CE1 4.24Å; F87-F507 HydrophobicContact CZ-CG 4.05Å; F87-D509 HydrophobicContact CE2-CB 3.96Å; F87-L510 HydrophobicContact CB-CD2 3.63Å; F87-L510 HydrophobicContact CD1-CD2 3.5Å; F87-L510 VanDerWaalsContact CD1-CD2 3.5Å; F87-L510 HydrophobicContact CD1-CG 4.15Å; F87-L510 HydrophobicContact CD2-CD2 3.84Å; F87-L510 HydrophobicContact CD2-CG 4.26Å; F87-L510 HydrophobicContact CE1-CD2 4.06Å; F87-L510 HydrophobicContact CE1-CG 4.21Å; F87-L510 HydrophobicContact CE2-CD2 4.39Å; F87-L510 HydrophobicContact CE2-CG 4.35Å; F87-L510 HydrophobicContact CG-CD2 3.35Å; F87-L510 HydrophobicContact CG-CG 4.16Å; F87-L510 HydrophobicContact CZ-CD2 4.48Å; F87-L510 HydrophobicContact CZ-CG 4.32Å; F87-Y526 HydrophobicContact CD1-CE1 4.36Å; F87-Y526 HydrophobicContact CE1-CE1 4.48Å
88	E	89.7	Confident	87	Confident	54 Å²	54	70.5 Å²	70.5	25%	0.252	35%	0.348	S	S	.	.	H	α-helix	trans	-63.2	-26.2	179.4	-72	-171.1	173.9	0	0	113.2	F84 H93 Y526	F84-E88 WeakPolarHBondContact O-CG 3.24Å; F84-E88 PolarHBondContact O-N 3.25Å; E88-H93 WeakPolarHBondContact CA-ND1 3.43Å; E88-H93 PolarHBondContact O-ND1 3.48Å; E88-Y526 VanDerWaalsContact CG-OH 3.28Å; E88-Y526 WeakPolarHBondContact CG-OH 3.26Å; E88-Y526 PolarHBondContact OE1-OH 3.36Å
89	Q	86.9	Confident	86.9	Confident	163 Å²	163	64.9 Å²	64.9	76%	0.762	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-9.1	174.9	-65.5	170.2	26.3	0	0	113.4	D85 K86 F87	D85-Q89 VanDerWaalsContact O-CG 3.32Å; D85-Q89 WeakPolarHBondContact O-CG 3.42Å; D85-Q89 PolarHBondContact O-N 2.88Å; D85-Q89 PolarHBondContact O-NE2 2.62Å; K86-Q89 PolarHBondContact O-N 3.41Å; F87-Q89 PolarHBondContact O-N 2.85Å
90	S	84.6	Confident	86.9	Confident	34 Å²	34	64.8 Å²	64.8	24%	0.238	33%	0.325	C	S	.	.	S	Bend	trans	-78.4	150.7	179.7	76.7	0	0	0	0	112.1	K86 F87 S92 H93	K86-S90 PolarHBondContact O-N 3Å; F87-S90 VanDerWaalsContact O-CB 3.25Å; F87-S90 WeakPolarHBondContact O-CB 3.46Å; F87-S90 PolarHBondContact O-N 3.39Å; F87-S90 PolarHBondContact O-OG 3.13Å; S90-S92 PolarHBondContact O-N 3.36Å; S90-H93 PolarHBondContact O-N 3.18Å; S90-H93 PolarHBondContact OG-N 3.03Å
91	S	75.5	Confident	86.9	Confident	94 Å²	94	65.6 Å²	65.6	66%	0.657	33%	0.329	S	S	*	.	H	α-helix	trans	-61.9	-31.6	174.5	-52.5	0	0	0	0	112.5	H93 L94	S91-H93 PolarHBondContact O-N 2.98Å; S91-L94 PolarHBondContact O-N 3.42Å
92	S	72.3	Confident	87	Confident	41 Å²	41	63.4 Å²	63.4	29%	0.287	32%	0.318	S	S	.	.	H	α-helix	trans	-59.5	-43	177.3	-58.1	0	0	0	0	112.5	S90 L94 L95 L96 D509	S90-S92 PolarHBondContact O-N 3.36Å; S92-L94 VanDerWaalsContact C-N 3.27Å; S92-L94 PolarHBondContact O-N 3.49Å; S92-L95 PolarHBondContact O-N 3.39Å; S92-L96 WeakPolarHBondContact O-CD1 3.45Å; S92-L96 VanDerWaalsContact O-CG 3.26Å; S92-L96 WeakPolarHBondContact O-CG 3.21Å; S92-L96 PolarHBondContact O-N 2.87Å; S92-D509 WeakPolarHBondContact CB-OD2 3.24Å; S92-D509 PolarHBondContact OG-OD2 3.16Å
93	H	75.9	Confident	87.1	Confident	9 Å²	9	59 Å²	59	4%	0.042	30%	0.297	C	S	.	.	H	α-helix	trans	-62.6	-33.5	179.8	174.8	-111	0	0	0	112.7	F87 E88 S90 S91 L95	F87-H93 HydrophobicContact CD1-CB 4.32Å; F87-H93 HydrophobicContact CE1-CB 4.06Å; F87-H93 AromaticContact CE1-CD2 3.69Å; F87-H93 HydrophobicContact CE2-CB 4.47Å; F87-H93 HydrophobicContact CZ-CB 4.13Å; F87-H93 VanDerWaalsContact O-CB 3.23Å; F87-H93 WeakPolarHBondContact O-CB 3.26Å; E88-H93 WeakPolarHBondContact CA-ND1 3.43Å; E88-H93 PolarHBondContact O-ND1 3.48Å; S90-H93 PolarHBondContact O-N 3.18Å; S90-H93 PolarHBondContact OG-N 3.03Å; S91-H93 PolarHBondContact O-N 2.98Å; H93-L95 VanDerWaalsContact C-N 3.28Å; H93-L95 PolarHBondContact O-N 3.38Å
94	L	68.2	Low	87.2	Confident	94 Å²	94	56.5 Å²	56.5	49%	0.492	29%	0.288	S	S	.	.	H	α-helix	trans	-70.5	-23.4	-179.8	-65.3	174.4	0	0	0	113.6	S91 S92	S91-L94 PolarHBondContact O-N 3.42Å; S92-L94 VanDerWaalsContact C-N 3.27Å; S92-L94 PolarHBondContact O-N 3.49Å
95	L	68.4	Low	87.4	Confident	135 Å²	135	56.4 Å²	56.4	71%	0.707	29%	0.288	S	S	*	.	H	α-helix	trans	-100	-20.2	-173.7	-65.1	173.3	0	0	0	113.3	S92 H93	S92-L95 PolarHBondContact O-N 3.39Å; H93-L95 VanDerWaalsContact C-N 3.28Å; H93-L95 PolarHBondContact O-N 3.38Å
96	L	73.2	Confident	87.7	Confident	71 Å²	71	52.2 Å²	52.2	37%	0.372	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-98.5	128.7	-168.7	-66.8	171.5	0	0	0	112.8	S92 F507	S92-L96 WeakPolarHBondContact O-CD1 3.45Å; S92-L96 VanDerWaalsContact O-CG 3.26Å; S92-L96 WeakPolarHBondContact O-CG 3.21Å; S92-L96 PolarHBondContact O-N 2.87Å; L96-F507 HydrophobicContact CB-CD1 4.37Å; L96-F507 HydrophobicContact CB-CE1 4.33Å
97	K	85.3	Confident	88	Confident	97 Å²	97	45 Å²	45	42%	0.422	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-66.2	134.4	160.6	-177.2	-172.3	168.8	-168.2	0	107.5	E100 E411 P506	K97-E100 WeakPolarHBondContact CE-OE1 3.37Å; K97-E100 IonicContact NZ-OE1 2.72Å; K97-E100 PolarHBondContact NZ-OE1 3.16Å; K97-E411 IonicContact NZ-OE1 3.04Å; K97-E411 PolarHBondContact NZ-OE1 2.86Å; K97-P506 VanDerWaalsContact O-CB 3.24Å; K97-P506 WeakPolarHBondContact O-CB 3.39Å
98	R	90.7	Very high	88.3	Confident	54 Å²	54	44.3 Å²	44.3	20%	0.204	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-57	151.4	173.6	71.6	171.9	-174.1	75.7	1.6	111	F507	R98-F507 HydrophobicContact CB-CE1 4.42Å; R98-F507 HydrophobicContact CB-CE2 4.01Å; R98-F507 HydrophobicContact CB-CZ 3.8Å
99	P	95.8	Very high	88.7	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-68.1	148.9	176.6	29.7	-33.5	0	0	0	111.1	L413 P506	P99-L413 HydrophobicContact CB-CB 3.94Å; P99-L413 HydrophobicContact CG-CB 3.97Å; P99-P506 HydrophobicContact CB-CB 4.06Å; P99-P506 HydrophobicContact CB-CG 4.3Å; P99-P506 HydrophobicContact CG-CB 4.4Å
100	E	96.9	Very high	89.3	Confident	58 Å²	58	34 Å²	34	27%	0.271	18%	0.183	S	C	.	.	S	Bend	trans	-88	-31.8	169.6	-57.4	-164.2	174.5	0	0	110.8	K97 G367 E411	K97-E100 WeakPolarHBondContact CE-OE1 3.37Å; K97-E100 IonicContact NZ-OE1 2.72Å; K97-E100 PolarHBondContact NZ-OE1 3.16Å; E100-G367 WeakPolarHBondContact O-CA 3.47Å; E100-E411 HydrophobicContact CB-CB 4.45Å; E100-E411 HydrophobicContact CG-CB 4.32Å; E100-E411 PolarHBondContact N-O 3.31Å
101	N	98.8	Very high	89.9	Confident	20 Å²	20	32.4 Å²	32.4	11%	0.107	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	150.3	-176.2	-49.3	-59.4	0	0	0	111.2	G367 F368 E411 T412 L413	N101-G367 WeakPolarHBondContact OD1-CA 3.27Å; N101-F368 CarbonylContact C-O 3.57Å; N101-F368 VanDerWaalsContact CA-O 3.29Å; N101-F368 WeakPolarHBondContact CA-O 3.05Å; N101-F368 HydrophobicContact CB-CD1 3.97Å; N101-F368 HydrophobicContact CB-CE1 3.71Å; N101-F368 HydrophobicContact CB-CE2 4.32Å; N101-F368 HydrophobicContact CB-CG 4.36Å; N101-F368 HydrophobicContact CB-CZ 3.9Å; N101-F368 VanDerWaalsContact CG-CD1 3.5Å; N101-F368 WeakPolarHBondContact OD1-CD1 3.24Å; N101-F368 VanDerWaalsContact OD1-CE1 3.31Å; N101-F368 WeakPolarHBondContact OD1-CE1 3.39Å; N101-F368 PolarHBondContact OD1-N 3.19Å; N101-E411 PolarHBondContact N-O 3.45Å; N101-T412 HydrophobicContact CB-CG2 3.89Å; N101-T412 WeakPolarHBondContact O-CA 3.48Å; N101-L413 PolarHBondContact O-N 2.95Å
102	V	98.9	Very high	91	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	133.1	168.6	177.3	0	0	0	0	108.9	F368 L369 L370 L413 T524 L528	V102-F368 PolarHBondContact N-O 3.1Å; V102-L369 HydrophobicContact CB-CD1 3.65Å; V102-L369 HydrophobicContact CG1-CD1 3.7Å; V102-L369 WeakPolarHBondContact O-CA 3.35Å; V102-L370 PolarHBondContact O-N 2.88Å; V102-L413 CarbonylContact C-O 3.6Å; V102-L413 VanDerWaalsContact CA-O 3.3Å; V102-L413 WeakPolarHBondContact CA-O 3.11Å; V102-L413 HydrophobicContact CG2-CB 4.13Å; V102-L413 HydrophobicContact CG2-CD2 4.28Å; V102-T524 HydrophobicContact CB-CG2 4.48Å; V102-T524 HydrophobicContact CG1-CG2 4.11Å; V102-T524 HydrophobicContact CG2-CG2 4.48Å; V102-L528 HydrophobicContact CB-CD1 4.21Å; V102-L528 HydrophobicContact CG2-CD1 3.83Å; V102-L528 HydrophobicContact CG2-CD2 3.81Å; V102-L528 HydrophobicContact CG2-CG 3.65Å
103	I	98.9	Very high	92.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	119.9	168.2	-45.5	-177.1	0	0	0	108.9	F105 I358 F368 L370 V372 A403 V407 T412 L413 L414 L415	I103-F105 HydrophobicContact CB-CD2 4.43Å; I103-F105 HydrophobicContact CB-CE2 3.8Å; I103-F105 HydrophobicContact CB-CZ 4.31Å; I103-F105 HydrophobicContact CG2-CD2 3.89Å; I103-F105 HydrophobicContact CG2-CE1 4.18Å; I103-F105 HydrophobicContact CG2-CE2 3.29Å; I103-F105 HydrophobicContact CG2-CZ 3.43Å; I103-F105 VanDerWaalsContact CG2-CZ 3.43Å; I103-I358 HydrophobicContact CD1-CD1 3.96Å; I103-I358 HydrophobicContact CD1-CG1 4.29Å; I103-F368 HydrophobicContact CD1-CE2 3.87Å; I103-F368 HydrophobicContact CD1-CZ 4.1Å; I103-F368 HydrophobicContact CG1-CE2 3.75Å; I103-F368 HydrophobicContact CG1-CZ 4.31Å; I103-L370 WeakPolarHBondContact CA-O 3.29Å; I103-L370 HydrophobicContact CD1-CD2 4.46Å; I103-L370 HydrophobicContact CG1-CB 4.38Å; I103-L370 HydrophobicContact CG2-CB 4.12Å; I103-L370 HydrophobicContact CG2-CD2 4.07Å; I103-L370 HydrophobicContact CG2-CG 4.07Å; I103-V372 HydrophobicContact CG2-CG2 4.05Å; I103-A403 HydrophobicContact CD1-CB 4.13Å; I103-V407 HydrophobicContact CD1-CG1 4.04Å; I103-T412 HydrophobicContact CD1-CG2 4.29Å; I103-T412 HydrophobicContact CG1-CG2 4.08Å; I103-L413 PolarHBondContact N-O 3.03Å; I103-L414 HydrophobicContact CB-CD2 4.08Å; I103-L414 HydrophobicContact CD1-CD2 4.06Å; I103-L414 HydrophobicContact CG1-CD2 4.25Å; I103-L415 PolarHBondContact O-N 2.76Å
104	L	98.9	Very high	93.4	Very high	6 Å²	6	30.5 Å²	30.5	3%	0.031	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	112	176.3	178.4	60.3	0	0	0	109.3	I106 F165 L370 L371 V372 L415 T417 I520	L104-I106 HydrophobicContact CD1-CD1 3.84Å; L104-I106 HydrophobicContact CD2-CD1 4.1Å; L104-I106 HydrophobicContact CD2-CG1 4.49Å; L104-I106 HydrophobicContact CG-CD1 3.81Å; L104-I106 HydrophobicContact CG-CG1 4.14Å; L104-F165 HydrophobicContact CD2-CD2 3.72Å; L104-F165 HydrophobicContact CD2-CE2 4.1Å; L104-L370 PolarHBondContact N-O 2.88Å; L104-L371 HydrophobicContact CB-CD1 4.44Å; L104-L371 HydrophobicContact CD2-CD1 4.17Å; L104-L371 HydrophobicContact CG-CD1 4.18Å; L104-L371 WeakPolarHBondContact O-CA 3.31Å; L104-V372 PolarHBondContact O-N 3.09Å; L104-L415 HydrophobicContact CD1-CB 3.73Å; L104-L415 HydrophobicContact CD1-CD1 4.21Å; L104-T417 HydrophobicContact CD1-CG2 4.11Å; L104-I520 HydrophobicContact CD1-CG2 4.08Å; L104-I520 HydrophobicContact CD2-CG2 4.14Å
105	F	99	Very high	94.8	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	121.7	174.6	-65.6	-87.9	0	0	0	109.8	I103 T354 V372 F396 A399 V400 A403 L414 L415 V416 T417	I103-F105 HydrophobicContact CB-CD2 4.43Å; I103-F105 HydrophobicContact CB-CE2 3.8Å; I103-F105 HydrophobicContact CB-CZ 4.31Å; I103-F105 HydrophobicContact CG2-CD2 3.89Å; I103-F105 HydrophobicContact CG2-CE1 4.18Å; I103-F105 HydrophobicContact CG2-CE2 3.29Å; I103-F105 HydrophobicContact CG2-CZ 3.43Å; I103-F105 VanDerWaalsContact CG2-CZ 3.43Å; F105-T354 HydrophobicContact CE1-CG2 4.3Å; F105-V372 CarbonylContact C-O 3.57Å; F105-V372 VanDerWaalsContact CA-O 3.3Å; F105-V372 WeakPolarHBondContact CA-O 3Å; F105-V372 HydrophobicContact CD1-CB 3.55Å; F105-V372 HydrophobicContact CD1-CG1 3.8Å; F105-V372 HydrophobicContact CD1-CG2 4.06Å; F105-V372 HydrophobicContact CE1-CB 3.75Å; F105-V372 HydrophobicContact CE1-CG1 3.89Å; F105-V372 HydrophobicContact CE1-CG2 3.77Å; F105-V372 HydrophobicContact CG-CB 4.38Å; F105-V372 HydrophobicContact CZ-CG2 4.39Å; F105-F396 HydrophobicContact CB-CE1 4.46Å; F105-F396 HydrophobicContact CB-CE2 3.75Å; F105-F396 HydrophobicContact CB-CZ 3.46Å; F105-F396 VanDerWaalsContact CB-CZ 3.46Å; F105-F396 HydrophobicContact CD1-CE2 4.23Å; F105-A399 HydrophobicContact CE1-CB 4.49Å; F105-V400 HydrophobicContact CB-CG2 4.25Å; F105-V400 HydrophobicContact CD1-CG2 3.63Å; F105-V400 HydrophobicContact CD2-CG2 4.1Å; F105-V400 HydrophobicContact CE1-CG2 3.93Å; F105-V400 HydrophobicContact CE2-CG2 4.35Å; F105-V400 HydrophobicContact CG-CG2 3.74Å; F105-V400 HydrophobicContact CZ-CG2 4.29Å; F105-A403 HydrophobicContact CE1-CB 4.4Å; F105-A403 HydrophobicContact CE2-CB 4.27Å; F105-A403 HydrophobicContact CZ-CB 3.49Å; F105-A403 VanDerWaalsContact CZ-CB 3.49Å; F105-L414 HydrophobicContact CE2-CD2 4.04Å; F105-L415 WeakPolarHBondContact CB-O 3.07Å; F105-L415 WeakPolarHBondContact CD2-O 3.46Å; F105-L415 PolarHBondContact N-O 3.03Å; F105-V416 HydrophobicContact CB-CB 4.45Å; F105-V416 HydrophobicContact CB-CG2 3.88Å; F105-V416 HydrophobicContact CD2-CG2 4.13Å; F105-V416 HydrophobicContact CG-CG2 4.25Å; F105-T417 PolarHBondContact O-N 2.57Å
106	I	98.9	Very high	96.2	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	109.8	177.4	-56.2	-61	0	0	0	109.5	L104 D108 F165 T222 L371 V372 E373 G374 F396 T417 D419	L104-I106 HydrophobicContact CD1-CD1 3.84Å; L104-I106 HydrophobicContact CD2-CD1 4.1Å; L104-I106 HydrophobicContact CD2-CG1 4.49Å; L104-I106 HydrophobicContact CG-CD1 3.81Å; L104-I106 HydrophobicContact CG-CG1 4.14Å; I106-D108 PolarHBondContact O-N 2.95Å; I106-F165 HydrophobicContact CD1-CD1 4.4Å; I106-F165 HydrophobicContact CD1-CD2 4.14Å; I106-F165 HydrophobicContact CD1-CE1 4.08Å; I106-F165 HydrophobicContact CD1-CE2 3.84Å; I106-F165 HydrophobicContact CD1-CG 4.43Å; I106-F165 HydrophobicContact CD1-CZ 3.81Å; I106-F165 HydrophobicContact CG1-CE1 4.37Å; I106-F165 HydrophobicContact CG1-CE2 3.82Å; I106-F165 HydrophobicContact CG1-CZ 3.7Å; I106-F165 HydrophobicContact CG2-CE1 4.42Å; I106-F165 HydrophobicContact CG2-CZ 4.23Å; I106-T222 HydrophobicContact CG2-CG2 4.42Å; I106-L371 HydrophobicContact CG1-CD1 3.7Å; I106-V372 PolarHBondContact N-O 3.26Å; I106-E373 HydrophobicContact CB-CG 4.49Å; I106-E373 CarbonylContact O-C 3.5Å; I106-E373 VanDerWaalsContact O-CA 3.28Å; I106-E373 WeakPolarHBondContact O-CA 3.18Å; I106-G374 PolarHBondContact O-N 3.06Å; I106-F396 VanDerWaalsContact C-CE2 3.49Å; I106-F396 VanDerWaalsContact C-CZ 3.44Å; I106-F396 WeakPolarHBondContact O-CE2 3.47Å; I106-T417 CarbonylContact C-O 3.52Å; I106-T417 WeakPolarHBondContact CA-O 3.47Å; I106-T417 HydrophobicContact CD1-CG2 3.48Å; I106-T417 VanDerWaalsContact CD1-CG2 3.48Å; I106-D419 HydrophobicContact CG2-CB 4.07Å
107	G	98.9	Very high	97.4	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.089	C	C	.	.			trans	-81.4	96.4	162.3	0	0	0	0	0	108.3	G109 M110 T417 A418	G107-G109 PolarHBondContact O-N 2.87Å; G107-M110 WeakPolarHBondContact O-CB 3.21Å; G107-M110 PolarHBondContact O-N 3.02Å; G107-T417 PolarHBondContact N-O 3.38Å; G107-A418 WeakPolarHBondContact O-CA 3.42Å; G107-A418 WeakPolarHBondContact O-CB 3.27Å
108	D	98.8	Very high	98.1	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.005	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	122.2	-178.9	-161.9	-44.4	0	0	0	108.8	I106 M110 T222 E373 I377 D378 D419 H420	I106-D108 PolarHBondContact O-N 2.95Å; D108-M110 VanDerWaalsContact C-N 3.29Å; D108-M110 PolarHBondContact O-N 3.12Å; D108-T222 PolarHBondContact OD2-OG1 2.94Å; D108-E373 HydrophobicContact CB-CG 4.45Å; D108-I377 WeakPolarHBondContact O-CB 3.49Å; D108-D378 HydrophobicContact CB-CB 4Å; D108-D378 WeakPolarHBondContact O-CA 3.08Å; D108-D378 WeakPolarHBondContact O-CB 3.43Å; D108-D378 PolarHBondContact O-N 3.4Å; D108-D378 VanDerWaalsContact OD1-CB 3.24Å; D108-D378 WeakPolarHBondContact OD1-CB 3.41Å; D108-D419 WeakPolarHBondContact CA-OD1 3.12Å; D108-H420 IonicContact OD1-CE1 3.55Å; D108-H420 IonicContact OD1-NE2 3.67Å
109	G	98.4	Very high	98.4	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.9	14.2	-174.7	0	0	0	0	0	116.3	G107 S111 N381 D419 H420	G107-G109 PolarHBondContact O-N 2.87Å; G109-S111 PolarHBondContact O-N 2.98Å; G109-N381 PolarHBondContact O-ND2 3.23Å; G109-D419 PolarHBondContact N-OD1 2.87Å; G109-H420 CarbonylContact C-O 3.59Å; G109-H420 WeakPolarHBondContact CA-O 3.3Å
110	M	98.7	Very high	98.6	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.084	C	C	.	.			trans	-78.4	81.4	-179	-173.9	-174.7	69.8	0	0	112	G107 D108 T114 V115 W137 I377 T393 F396 V416 A418	G107-M110 WeakPolarHBondContact O-CB 3.21Å; G107-M110 PolarHBondContact O-N 3.02Å; D108-M110 VanDerWaalsContact C-N 3.29Å; D108-M110 PolarHBondContact O-N 3.12Å; M110-T114 HydrophobicContact CG-CG2 4.17Å; M110-V115 HydrophobicContact CE-CG2 4.26Å; M110-V115 HydrophobicContact CG-CG2 3.85Å; M110-V115 HydrophobicContact SD-CG2 4.07Å; M110-W137 HydrophobicContact SD-CH2 4.43Å; M110-W137 HydrophobicContact SD-CZ2 4.03Å; M110-I377 HydrophobicContact CB-CD1 4.45Å; M110-I377 HydrophobicContact CB-CG2 4.33Å; M110-T393 HydrophobicContact CG-CG2 4.31Å; M110-T393 HydrophobicContact SD-CG2 3.96Å; M110-F396 HydrophobicContact CE-CE1 4.01Å; M110-F396 HydrophobicContact SD-CD1 4Å; M110-F396 HydrophobicContact SD-CE1 3.91Å; M110-V416 HydrophobicContact CE-CG1 4.03Å; M110-A418 HydrophobicContact CB-CB 4.01Å; M110-A418 VanDerWaalsContact O-CB 3.29Å; M110-A418 WeakPolarHBondContact O-CB 3.39Å
111	S	98.4	Very high	98.6	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.072	C	C	.	.			trans	-65.6	167.8	175.7	72.5	0	0	0	0	113.5	G109 S113 T114 V115 S421	G109-S111 PolarHBondContact O-N 2.98Å; S111-S113 PolarHBondContact O-N 2.93Å; S111-S113 WeakPolarHBondContact OG-CB 3.4Å; S111-S113 PolarHBondContact OG-N 2.89Å; S111-T114 WeakPolarHBondContact O-CB 3.34Å; S111-T114 PolarHBondContact O-N 2.87Å; S111-T114 PolarHBondContact OG-N 3.15Å; S111-T114 PolarHBondContact OG-OG1 3.38Å; S111-T114 VanDerWaalsContact OG-OG1 3.1Å; S111-V115 PolarHBondContact O-N 3.09Å; S111-S421 WeakPolarHBondContact CB-OG 3.32Å
112	L	98.3	Very high	98.6	Very high	73 Å²	73	15.2 Å²	15.2	38%	0.382	7%	0.074	S	C	.	.	H	α-helix	trans	-55.7	-37.3	167.8	-76.5	171.3	0	0	0	111.9	V115 T116 L145 P500	L112-V115 PolarHBondContact O-N 2.97Å; L112-T116 WeakPolarHBondContact O-CB 3.33Å; L112-T116 PolarHBondContact O-N 3.38Å; L112-T116 PolarHBondContact O-OG1 2.98Å; L112-L145 HydrophobicContact CD1-CD2 4.03Å; L112-L145 HydrophobicContact CD2-CD2 4.47Å; L112-P500 HydrophobicContact CD2-CB 3.77Å; L112-P500 HydrophobicContact CD2-CG 3.93Å; L112-P500 HydrophobicContact CG-CG 4.48Å
113	S	98.3	Very high	98.6	Very high	31 Å²	31	15.2 Å²	15.2	22%	0.217	7%	0.074	C	C	.	.	H	α-helix	trans	-65.7	-41.9	174.2	-59.2	0	0	0	0	111.4	S111 T116 G117 Y424	S111-S113 PolarHBondContact O-N 2.93Å; S111-S113 WeakPolarHBondContact OG-CB 3.4Å; S111-S113 PolarHBondContact OG-N 2.89Å; S113-T116 WeakPolarHBondContact O-CB 3.49Å; S113-T116 PolarHBondContact O-N 3.16Å; S113-G117 PolarHBondContact O-N 3.05Å; S113-Y424 WeakPolarHBondContact CB-O 3.49Å; S113-Y424 WeakPolarHBondContact O-CE1 3.42Å; S113-Y424 PolarHBondContact OG-O 3.04Å
114	T	98.8	Very high	98.5	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-62.8	-43	175.9	-59.4	0	0	0	0	111.5	M110 S111 T116 G117 A118 I377 L390 T393	M110-T114 HydrophobicContact CG-CG2 4.17Å; S111-T114 WeakPolarHBondContact O-CB 3.34Å; S111-T114 PolarHBondContact O-N 2.87Å; S111-T114 PolarHBondContact OG-N 3.15Å; S111-T114 PolarHBondContact OG-OG1 3.38Å; S111-T114 VanDerWaalsContact OG-OG1 3.1Å; T114-T116 VanDerWaalsContact C-N 3.35Å; T114-T116 PolarHBondContact O-N 3.42Å; T114-G117 PolarHBondContact O-N 3.23Å; T114-A118 VanDerWaalsContact O-CB 3.26Å; T114-A118 WeakPolarHBondContact O-CB 3.03Å; T114-A118 PolarHBondContact O-N 2.96Å; T114-I377 HydrophobicContact CG2-CG2 3.84Å; T114-L390 HydrophobicContact CG2-CD2 4.21Å; T114-T393 WeakPolarHBondContact CG2-OG1 3.24Å
115	V	98.7	Very high	98.4	Very high	3 Å²	3	24.8 Å²	24.8	2%	0.018	12%	0.116	C	C	.	.	H	α-helix	trans	-57.9	-48.1	171.9	170.6	0	0	0	0	110.7	M110 S111 L112 G117 A118 R119 L135 P500	M110-V115 HydrophobicContact CE-CG2 4.26Å; M110-V115 HydrophobicContact CG-CG2 3.85Å; M110-V115 HydrophobicContact SD-CG2 4.07Å; S111-V115 PolarHBondContact O-N 3.09Å; L112-V115 PolarHBondContact O-N 2.97Å; V115-G117 PolarHBondContact O-N 2.95Å; V115-A118 PolarHBondContact O-N 3.4Å; V115-R119 WeakPolarHBondContact O-CB 3.41Å; V115-R119 PolarHBondContact O-N 3.02Å; V115-L135 HydrophobicContact CG1-CD1 3.96Å; V115-P500 HydrophobicContact CG2-CG 4.11Å
116	T	98.3	Very high	98.4	Very high	35 Å²	35	29.7 Å²	29.7	22%	0.215	14%	0.141	C	C	.	.	H	α-helix	trans	-60.9	-46.7	178.9	-62.3	0	0	0	0	112	L112 S113 T114 R119 Y120 V426	L112-T116 WeakPolarHBondContact O-CB 3.33Å; L112-T116 PolarHBondContact O-N 3.38Å; L112-T116 PolarHBondContact O-OG1 2.98Å; S113-T116 WeakPolarHBondContact O-CB 3.49Å; S113-T116 PolarHBondContact O-N 3.16Å; T114-T116 VanDerWaalsContact C-N 3.35Å; T114-T116 PolarHBondContact O-N 3.42Å; T116-R119 PolarHBondContact O-N 3.39Å; T116-Y120 HydrophobicContact CG2-CD2 4.16Å; T116-Y120 HydrophobicContact CG2-CE2 3.55Å; T116-Y120 PolarHBondContact O-N 2.8Å; T116-Y120 VanDerWaalsContact O-N 3.14Å; T116-V426 HydrophobicContact CG2-CB 4.42Å; T116-V426 HydrophobicContact CG2-CG2 4.3Å
117	G	98.5	Very high	98.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-64.3	-42	178.6	0	0	0	0	0	111.9	S113 T114 V115 R119 Y120 L121	S113-G117 PolarHBondContact O-N 3.05Å; T114-G117 PolarHBondContact O-N 3.23Å; V115-G117 PolarHBondContact O-N 2.95Å; G117-R119 VanDerWaalsContact C-N 3.33Å; G117-R119 PolarHBondContact O-N 3.38Å; G117-Y120 PolarHBondContact O-N 3.17Å; G117-L121 PolarHBondContact O-N 3.5Å
118	A	98.7	Very high	98.3	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-64.3	-40.9	178.8	0	0	0	0	0	110.9	T114 V115 Y120 L121 K122 L135 L390 T393 L394	T114-A118 VanDerWaalsContact O-CB 3.26Å; T114-A118 WeakPolarHBondContact O-CB 3.03Å; T114-A118 PolarHBondContact O-N 2.96Å; V115-A118 PolarHBondContact O-N 3.4Å; A118-Y120 VanDerWaalsContact C-N 3.34Å; A118-Y120 PolarHBondContact O-N 3.45Å; A118-L121 PolarHBondContact O-N 3.08Å; A118-K122 WeakPolarHBondContact O-CB 3.42Å; A118-K122 PolarHBondContact O-N 3.37Å; A118-L135 HydrophobicContact CB-CD1 4.33Å; A118-L390 HydrophobicContact CB-CD2 4.36Å; A118-T393 HydrophobicContact CB-CG2 3.48Å; A118-T393 VanDerWaalsContact CB-CG2 3.48Å; A118-L394 HydrophobicContact CB-CD2 4.25Å
119	R	98.2	Very high	98.2	Very high	56 Å²	56	44.5 Å²	44.5	21%	0.211	22%	0.219	C	C	.	.	H	α-helix	trans	-59.5	-41.6	173.7	179.1	176.6	56.5	-162.2	0.2	112.6	V115 T116 G117 K122 A123 V133 E138	V115-R119 WeakPolarHBondContact O-CB 3.41Å; V115-R119 PolarHBondContact O-N 3.02Å; T116-R119 PolarHBondContact O-N 3.39Å; G117-R119 VanDerWaalsContact C-N 3.33Å; G117-R119 PolarHBondContact O-N 3.38Å; R119-K122 WeakPolarHBondContact O-CB 3.27Å; R119-K122 PolarHBondContact O-N 2.79Å; R119-A123 PolarHBondContact O-N 2.95Å; R119-V133 WeakPolarHBondContact CD-O 3.35Å; R119-V133 HydrophobicContact CG-CG2 4.35Å; R119-V133 WeakPolarHBondContact CG-O 3.44Å; R119-E138 IonicContact CZ-OE1 3.65Å; R119-E138 IonicContact NH1-OE1 3.61Å; R119-E138 PolarHBondContact NH1-OE1 2.93Å; R119-E138 IonicContact NH1-OE2 3.67Å
120	Y	98.5	Very high	98.1	Very high	79 Å²	79	45.1 Å²	45.1	31%	0.31	23%	0.226	S	C	.	.	H	α-helix	trans	-69.2	-41	175.8	-63.5	-27	0	0	0	112.4	T116 G117 A118 K122 A123 E124 V426 V436	T116-Y120 HydrophobicContact CG2-CD2 4.16Å; T116-Y120 HydrophobicContact CG2-CE2 3.55Å; T116-Y120 PolarHBondContact O-N 2.8Å; T116-Y120 VanDerWaalsContact O-N 3.14Å; G117-Y120 PolarHBondContact O-N 3.17Å; A118-Y120 VanDerWaalsContact C-N 3.34Å; A118-Y120 PolarHBondContact O-N 3.45Å; Y120-K122 VanDerWaalsContact C-N 3.28Å; Y120-K122 PolarHBondContact O-N 3.21Å; Y120-A123 PolarHBondContact O-N 3.45Å; Y120-E124 PolarHBondContact O-N 3.25Å; Y120-V426 HydrophobicContact CD2-CG1 4.09Å; Y120-V426 HydrophobicContact CE2-CG1 3.9Å; Y120-V436 HydrophobicContact CD2-CB 4.49Å; Y120-V436 HydrophobicContact CD2-CG2 4.02Å
121	L	98.4	Very high	97.6	Very high	3 Å²	3	47.3 Å²	47.3	2%	0.016	25%	0.248	C	C	.	.	H	α-helix	trans	-62.6	-35.7	172.8	-177.2	63.6	0	0	0	112	G117 A118 K125 L390 L394 V436 L437	G117-L121 PolarHBondContact O-N 3.5Å; A118-L121 PolarHBondContact O-N 3.08Å; L121-K125 HydrophobicContact CG-CD 4.41Å; L121-K125 WeakPolarHBondContact O-CB 3.46Å; L121-K125 WeakPolarHBondContact O-CG 3.25Å; L121-K125 PolarHBondContact O-N 2.97Å; L121-L390 HydrophobicContact CB-CD1 4.49Å; L121-L390 HydrophobicContact CD2-CB 3.58Å; L121-L394 HydrophobicContact CD2-CD1 4.12Å; L121-L394 HydrophobicContact CG-CD1 4.15Å; L121-V436 HydrophobicContact CB-CG1 4.05Å; L121-L437 HydrophobicContact CD1-CD1 4.05Å
122	K	98.5	Very high	97.5	Very high	32 Å²	32	51.4 Å²	51.4	14%	0.139	27%	0.27	C	S	.	.	H	α-helix	trans	-62.9	-48.4	174.5	-175.2	177.2	-179.5	175.8	0	111.2	A118 R119 Y120 E124 K125 M126 V133 Q134 L135 L394 E397	A118-K122 WeakPolarHBondContact O-CB 3.42Å; A118-K122 PolarHBondContact O-N 3.37Å; R119-K122 WeakPolarHBondContact O-CB 3.27Å; R119-K122 PolarHBondContact O-N 2.79Å; Y120-K122 VanDerWaalsContact C-N 3.28Å; Y120-K122 PolarHBondContact O-N 3.21Å; K122-E124 VanDerWaalsContact C-N 3.32Å; K122-E124 PolarHBondContact O-N 3.08Å; K122-K125 PolarHBondContact O-N 2.9Å; K122-M126 HydrophobicContact CG-SD 3.92Å; K122-M126 WeakPolarHBondContact O-CG 3.06Å; K122-M126 PolarHBondContact O-N 3.28Å; K122-M126 VanDerWaalsContact O-N 3.08Å; K122-V133 HydrophobicContact CB-CG2 4.05Å; K122-V133 HydrophobicContact CD-CG2 4.08Å; K122-V133 HydrophobicContact CG-CG2 3.96Å; K122-Q134 PolarHBondContact NZ-O 3.49Å; K122-L135 HydrophobicContact CD-CD2 4.01Å; K122-L394 HydrophobicContact CB-CD2 3.83Å; K122-L394 HydrophobicContact CD-CD2 4.5Å; K122-L394 HydrophobicContact CG-CD2 4.39Å; K122-E397 WeakPolarHBondContact CD-OE2 3.34Å; K122-E397 WeakPolarHBondContact CE-OE2 3.39Å; K122-E397 IonicContact NZ-OE1 3.89Å; K122-E397 PolarHBondContact NZ-OE1 2.95Å; K122-E397 IonicContact NZ-OE2 3.13Å; K122-E397 PolarHBondContact NZ-OE2 3.01Å; K122-E397 VanDerWaalsContact NZ-OE2 3.16Å
123	A	98.5	Very high	97.5	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.008	26%	0.256	C	S	.	.	H	α-helix	trans	-56.3	-48.6	177.6	0	0	0	0	0	110.9	R119 Y120 K125 M126 D127 L128 V133	R119-A123 PolarHBondContact O-N 2.95Å; Y120-A123 PolarHBondContact O-N 3.45Å; A123-K125 PolarHBondContact O-N 3.36Å; A123-M126 CarbonylContact O-C 3.44Å; A123-M126 WeakPolarHBondContact O-CA 3.37Å; A123-M126 PolarHBondContact O-N 3.12Å; A123-D127 PolarHBondContact O-N 3.42Å; A123-D127 VanDerWaalsContact O-N 3.16Å; A123-L128 CarbonylContact C-O 3.55Å; A123-L128 HydrophobicContact CB-CB 4.41Å; A123-L128 PolarHBondContact O-N 3.22Å; A123-V133 HydrophobicContact CB-CG2 3.8Å
124	E	97.5	Very high	97.5	Very high	81 Å²	81	52.1 Å²	52.1	38%	0.379	27%	0.269	S	S	.	.	H	α-helix	trans	-56.8	-47.1	176.5	-178.7	-170.3	150.7	0	0	112	Y120 K122 M126 D127 S435	Y120-E124 PolarHBondContact O-N 3.25Å; K122-E124 VanDerWaalsContact C-N 3.32Å; K122-E124 PolarHBondContact O-N 3.08Å; E124-M126 PolarHBondContact O-N 2.99Å; E124-M126 VanDerWaalsContact O-N 3.16Å; E124-D127 PolarHBondContact O-N 3.18Å; E124-S435 VanDerWaalsContact CD-OG 3.27Å; E124-S435 PolarHBondContact OE1-OG 3.17Å; E124-S435 WeakPolarHBondContact OE2-CA 3.45Å; E124-S435 WeakPolarHBondContact OE2-CB 3.41Å; E124-S435 PolarHBondContact OE2-OG 3.23Å
125	K	97.2	Very high	97.4	Very high	125 Å²	125	52.1 Å²	52.1	54%	0.543	27%	0.269	S	S	.	.	H	α-helix	trans	-64.8	-17.6	177.2	-74.9	-179.7	-178	-61.6	0	113.8	L121 K122 A123 L394	L121-K125 HydrophobicContact CG-CD 4.41Å; L121-K125 WeakPolarHBondContact O-CB 3.46Å; L121-K125 WeakPolarHBondContact O-CG 3.25Å; L121-K125 PolarHBondContact O-N 2.97Å; K122-K125 PolarHBondContact O-N 2.9Å; A123-K125 PolarHBondContact O-N 3.36Å; K125-L394 HydrophobicContact CD-CD1 3.8Å
126	M	97.8	Very high	97.4	Very high	103 Å²	103	53.8 Å²	53.8	51%	0.507	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	5.1	176.7	-66.7	177.7	65.4	0	0	112.8	K122 A123 E124 L128 V133	K122-M126 HydrophobicContact CG-SD 3.92Å; K122-M126 WeakPolarHBondContact O-CG 3.06Å; K122-M126 PolarHBondContact O-N 3.28Å; K122-M126 VanDerWaalsContact O-N 3.08Å; A123-M126 CarbonylContact O-C 3.44Å; A123-M126 WeakPolarHBondContact O-CA 3.37Å; A123-M126 PolarHBondContact O-N 3.12Å; E124-M126 PolarHBondContact O-N 2.99Å; E124-M126 VanDerWaalsContact O-N 3.16Å; M126-L128 VanDerWaalsContact C-N 3.26Å; M126-L128 HydrophobicContact CB-CD1 4Å; M126-L128 HydrophobicContact CB-CG 4.14Å; M126-L128 HydrophobicContact CE-CD1 4.06Å; M126-L128 PolarHBondContact O-N 3.42Å; M126-V133 HydrophobicContact CE-CG1 4.27Å; M126-V133 HydrophobicContact SD-CG1 3.99Å
127	D	97.4	Very high	97.4	Very high	160 Å²	160	52.1 Å²	52.1	86%	0.856	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.7	38.9	-173.9	-160.6	37.5	0	0	0	112.7	A123 E124	A123-D127 PolarHBondContact O-N 3.42Å; A123-D127 VanDerWaalsContact O-N 3.16Å; E124-D127 PolarHBondContact O-N 3.18Å
128	L	98.3	Very high	97.4	Very high	78 Å²	78	54 Å²	54	41%	0.408	28%	0.277	S	S	.	.			trans	-118.5	159.6	178.8	-65.2	174.8	0	0	0	111.2	A123 M126 D132 V133	A123-L128 CarbonylContact C-O 3.55Å; A123-L128 HydrophobicContact CB-CB 4.41Å; A123-L128 PolarHBondContact O-N 3.22Å; M126-L128 VanDerWaalsContact C-N 3.26Å; M126-L128 HydrophobicContact CB-CD1 4Å; M126-L128 HydrophobicContact CB-CG 4.14Å; M126-L128 HydrophobicContact CE-CD1 4.06Å; M126-L128 PolarHBondContact O-N 3.42Å; L128-D132 HydrophobicContact CB-CB 4.33Å; L128-V133 HydrophobicContact CB-CG1 4.43Å; L128-V133 HydrophobicContact CD1-CG1 3.39Å
129	L	97.7	Very high	97.2	Very high	74 Å²	74	60.2 Å²	60.2	39%	0.387	31%	0.311	S	S	.	.			trans	-73.7	147.9	177.5	-59.5	175.1	0	0	0	111.2	G131 D132 R432 N433	L129-G131 PolarHBondContact O-N 2.97Å; L129-D132 WeakPolarHBondContact CB-OD2 3.44Å; L129-D132 PolarHBondContact N-OD2 3.19Å; L129-D132 WeakPolarHBondContact O-CB 3.35Å; L129-D132 PolarHBondContact O-N 2.94Å; L129-R432 HydrophobicContact CB-CB 4.32Å; L129-N433 HydrophobicContact CD2-CB 3.73Å
130	G	95.2	Very high	97.2	Very high	14 Å²	14	58.7 Å²	58.7	14%	0.144	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	123.6	173.6	0	0	0	0	0	111.3	R432	G130-R432 PolarHBondContact N-O 2.7Å; G130-R432 VanDerWaalsContact O-CZ 3.31Å; G130-R432 PolarHBondContact O-NE 3.33Å; G130-R432 PolarHBondContact O-NH2 3.04Å
131	G	89.4	Confident	97.1	Very high	45 Å²	45	59.7 Å²	59.7	46%	0.464	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.8	-6.5	-177.9	0	0	0	0	0	115.9	L129 V133	L129-G131 PolarHBondContact O-N 2.97Å; G131-V133 VanDerWaalsContact C-N 3.31Å
132	D	96.1	Very high	97	Very high	87 Å²	87	59.9 Å²	59.9	47%	0.465	32%	0.322	S	S	.	.	S	Bend	trans	-81.1	-9.8	178	-72.1	-13.9	0	0	0	113.7	L128 L129 R432	L128-D132 HydrophobicContact CB-CB 4.33Å; L129-D132 WeakPolarHBondContact CB-OD2 3.44Å; L129-D132 PolarHBondContact N-OD2 3.19Å; L129-D132 WeakPolarHBondContact O-CB 3.35Å; L129-D132 PolarHBondContact O-N 2.94Å; D132-R432 IonicContact OD1-CZ 2.71Å; D132-R432 IonicContact OD1-NH1 2.74Å; D132-R432 IonicContact OD1-NH2 3.67Å; D132-R432 PolarHBondContact OD1-NH2 2.7Å; D132-R432 IonicContact OD2-NH2 2.75Å
133	V	97.6	Very high	97	Very high	13 Å²	13	61.3 Å²	61.3	8%	0.079	34%	0.34	C	S	.	.			trans	-125.5	158.9	179.8	-53.1	0	0	0	0	110.9	R119 K122 A123 M126 L128 G131	R119-V133 WeakPolarHBondContact CD-O 3.35Å; R119-V133 HydrophobicContact CG-CG2 4.35Å; R119-V133 WeakPolarHBondContact CG-O 3.44Å; K122-V133 HydrophobicContact CB-CG2 4.05Å; K122-V133 HydrophobicContact CD-CG2 4.08Å; K122-V133 HydrophobicContact CG-CG2 3.96Å; A123-V133 HydrophobicContact CB-CG2 3.8Å; M126-V133 HydrophobicContact CE-CG1 4.27Å; M126-V133 HydrophobicContact SD-CG1 3.99Å; L128-V133 HydrophobicContact CB-CG1 4.43Å; L128-V133 HydrophobicContact CD1-CG1 3.39Å; G131-V133 VanDerWaalsContact C-N 3.31Å
134	Q	97.5	Very high	97	Very high	105 Å²	105	62.2 Å²	62.2	49%	0.491	35%	0.346	S	S	.	.			trans	-120.8	154.9	173.5	-71.1	178.8	-8.4	0	0	109.5	K122 E138	K122-Q134 PolarHBondContact NZ-O 3.49Å; Q134-E138 HydrophobicContact CB-CB 4.16Å; Q134-E138 HydrophobicContact CG-CB 4.47Å
135	L	98.5	Very high	97.1	Very high	1 Å²	1	61.7 Å²	61.7	1%	0.005	35%	0.346	C	S	.	.			trans	-70.7	149.1	160.4	-57.1	178	0	0	0	109.4	V115 A118 K122 W137 E138 T393 L394 E397	V115-L135 HydrophobicContact CG1-CD1 3.96Å; A118-L135 HydrophobicContact CB-CD1 4.33Å; K122-L135 HydrophobicContact CD-CD2 4.01Å; L135-W137 HydrophobicContact CB-CD2 4.28Å; L135-W137 HydrophobicContact CB-CZ2 3.95Å; L135-W137 HydrophobicContact CD1-CH2 4.14Å; L135-W137 HydrophobicContact CD1-CZ2 3.34Å; L135-W137 HydrophobicContact CG-CZ2 4.22Å; L135-W137 PolarHBondContact O-N 2.96Å; L135-E138 HydrophobicContact CB-CG 4.19Å; L135-E138 PolarHBondContact N-OE2 3.44Å; L135-E138 WeakPolarHBondContact O-CB 3.45Å; L135-E138 PolarHBondContact O-N 3.25Å; L135-T393 HydrophobicContact CD1-CG2 4.41Å; L135-L394 HydrophobicContact CD2-CD2 3.93Å; L135-E397 WeakPolarHBondContact CA-OE1 3.17Å
136	V	98	Very high	97.2	Very high	38 Å²	38	55.7 Å²	55.7	23%	0.23	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-54.1	-32.9	-170.7	71.5	0	0	0	0	113.8	W140 E397 V400 E401 L404	V136-W140 PolarHBondContact O-NE1 3.21Å; V136-E397 HydrophobicContact CB-CG 4.31Å; V136-E397 HydrophobicContact CG1-CG 3.97Å; V136-E397 PolarHBondContact N-OE1 3.49Å; V136-V400 HydrophobicContact CG1-CB 3.97Å; V136-V400 HydrophobicContact CG1-CG1 3.68Å; V136-E401 HydrophobicContact CB-CG 3.93Å; V136-E401 HydrophobicContact CG1-CG 3.98Å; V136-E401 HydrophobicContact CG2-CG 3.93Å; V136-L404 HydrophobicContact CG2-CD1 3.69Å
137	W	98	Very high	97.2	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-85.3	-13.4	-179.8	57.2	72.6	0	0	0	114.4	M110 L135 N139 W140 F396 E397 V400 V416 Y502	M110-W137 HydrophobicContact SD-CH2 4.43Å; M110-W137 HydrophobicContact SD-CZ2 4.03Å; L135-W137 HydrophobicContact CB-CD2 4.28Å; L135-W137 HydrophobicContact CB-CZ2 3.95Å; L135-W137 HydrophobicContact CD1-CH2 4.14Å; L135-W137 HydrophobicContact CD1-CZ2 3.34Å; L135-W137 HydrophobicContact CG-CZ2 4.22Å; L135-W137 PolarHBondContact O-N 2.96Å; W137-N139 PolarHBondContact O-N 3.11Å; W137-W140 HydrophobicContact CB-CD2 3.81Å; W137-W140 HydrophobicContact CB-CE3 4.09Å; W137-W140 HydrophobicContact CB-CG 4.26Å; W137-W140 HydrophobicContact CB-CH2 4.33Å; W137-W140 HydrophobicContact CB-CZ2 4.06Å; W137-W140 HydrophobicContact CB-CZ3 4.34Å; W137-W140 VanDerWaalsContact O-CB 3.24Å; W137-W140 WeakPolarHBondContact O-CB 3.4Å; W137-W140 PolarHBondContact O-N 2.65Å; W137-W140 VanDerWaalsContact O-N 3.13Å; W137-F396 AromaticContact CH2-CD1 3.54Å; W137-F396 HydrophobicContact CH2-CD1 3.54Å; W137-F396 AromaticContact CH2-CE1 3.96Å; W137-F396 HydrophobicContact CH2-CE1 3.96Å; W137-F396 HydrophobicContact CZ2-CD1 4.42Å; W137-F396 AromaticContact CZ3-CD1 3.8Å; W137-F396 HydrophobicContact CZ3-CD1 3.8Å; W137-F396 HydrophobicContact CZ3-CE1 4.04Å; W137-E397 HydrophobicContact CH2-CB 3.96Å; W137-E397 VanDerWaalsContact CZ3-CA 3.45Å; W137-E397 HydrophobicContact CZ3-CB 3.85Å; W137-E397 HydrophobicContact CZ3-CG 4.43Å; W137-V400 HydrophobicContact CE3-CB 4.04Å; W137-V400 HydrophobicContact CE3-CG1 4.15Å; W137-V400 HydrophobicContact CE3-CG2 3.76Å; W137-V400 HydrophobicContact CZ3-CB 4.22Å; W137-V400 HydrophobicContact CZ3-CG2 3.75Å; W137-V416 HydrophobicContact CB-CB 4.28Å; W137-V416 HydrophobicContact CB-CG2 4.08Å; W137-V416 HydrophobicContact CD2-CB 4.32Å; W137-V416 HydrophobicContact CD2-CG1 3.72Å; W137-V416 HydrophobicContact CD2-CG2 4.25Å; W137-V416 HydrophobicContact CE3-CG1 3.94Å; W137-V416 HydrophobicContact CE3-CG2 4.04Å; W137-V416 HydrophobicContact CG-CB 4.18Å; W137-V416 HydrophobicContact CG-CG1 3.97Å; W137-V416 HydrophobicContact CG-CG2 4.27Å; W137-V416 HydrophobicContact CZ2-CG1 4.43Å; W137-V416 HydrophobicContact CZ3-CG1 4.34Å; W137-Y502 HydrophobicContact CB-CG 4.25Å; W137-Y502 AromaticContact CD1-CD1 3.96Å; W137-Y502 AromaticContact CD1-CD2 3.25Å; W137-Y502 AromaticContact CD1-CE2 3.35Å; W137-Y502 AromaticContact CD1-CG 3.58Å; W137-Y502 AromaticContact CD1-CZ 3.77Å; W137-Y502 HydrophobicContact CG-CD2 4.05Å; W137-Y502 HydrophobicContact CG-CE2 4.48Å; W137-Y502 HydrophobicContact CG-CG 4.21Å; W137-Y502 AromaticContact NE1-CD2 3.83Å; W137-Y502 AromaticContact NE1-CE2 3.54Å; W137-Y502 VanDerWaalsContact O-CD1 3.29Å; W137-Y502 WeakPolarHBondContact O-CD1 3.41Å
138	E	97.8	Very high	97.2	Very high	39 Å²	39	47.3 Å²	47.3	18%	0.182	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-70.3	-17.7	178.2	-69.3	-176.6	99.7	0	0	112.3	R119 Q134 L135 Y502	R119-E138 IonicContact CZ-OE1 3.65Å; R119-E138 IonicContact NH1-OE1 3.61Å; R119-E138 PolarHBondContact NH1-OE1 2.93Å; R119-E138 IonicContact NH1-OE2 3.67Å; Q134-E138 HydrophobicContact CB-CB 4.16Å; Q134-E138 HydrophobicContact CG-CB 4.47Å; L135-E138 HydrophobicContact CB-CG 4.19Å; L135-E138 PolarHBondContact N-OE2 3.44Å; L135-E138 WeakPolarHBondContact O-CB 3.45Å; L135-E138 PolarHBondContact O-N 3.25Å; E138-Y502 HydrophobicContact CG-CE1 4.19Å
139	N	95	Very high	97.2	Very high	130 Å²	130	46.1 Å²	46.1	70%	0.695	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-94.6	12.6	173.1	-167.7	44	0	0	0	113.2	W137	W137-N139 PolarHBondContact O-N 3.11Å
140	W	98.1	Very high	97.2	Very high	25 Å²	25	42.7 Å²	42.7	10%	0.095	24%	0.244	C	C	.	.	S	Bend	trans	-74.2	153.9	177.1	-74	7	0	0	0	111.8	V136 W137 V142 V400 L404 L414 V416	V136-W140 PolarHBondContact O-NE1 3.21Å; W137-W140 HydrophobicContact CB-CD2 3.81Å; W137-W140 HydrophobicContact CB-CE3 4.09Å; W137-W140 HydrophobicContact CB-CG 4.26Å; W137-W140 HydrophobicContact CB-CH2 4.33Å; W137-W140 HydrophobicContact CB-CZ2 4.06Å; W137-W140 HydrophobicContact CB-CZ3 4.34Å; W137-W140 VanDerWaalsContact O-CB 3.24Å; W137-W140 WeakPolarHBondContact O-CB 3.4Å; W137-W140 PolarHBondContact O-N 2.65Å; W137-W140 VanDerWaalsContact O-N 3.13Å; W140-V142 PolarHBondContact O-N 2.91Å; W140-V142 VanDerWaalsContact O-N 3.16Å; W140-V400 HydrophobicContact CH2-CG1 3.97Å; W140-V400 HydrophobicContact CZ2-CG1 3.57Å; W140-L404 HydrophobicContact CZ2-CD1 4.28Å; W140-L404 HydrophobicContact CZ2-CD2 4.4Å; W140-L414 HydrophobicContact CH2-CB 3.61Å; W140-L414 HydrophobicContact CZ2-CB 4.27Å; W140-L414 HydrophobicContact CZ3-CB 3.94Å; W140-L414 WeakPolarHBondContact CZ3-O 3.43Å; W140-V416 HydrophobicContact CH2-CB 4.46Å; W140-V416 HydrophobicContact CH2-CG2 3.47Å; W140-V416 VanDerWaalsContact CH2-CG2 3.47Å; W140-V416 HydrophobicContact CZ2-CG2 4.32Å; W140-V416 HydrophobicContact CZ3-CB 4.21Å; W140-V416 HydrophobicContact CZ3-CG2 3.69Å
141	P	96.3	Very high	97.2	Very high	100 Å²	100	43.4 Å²	43.4	65%	0.649	25%	0.247	S	C	*	.	S	Bend	trans	-64.6	-22	-174.2	25.4	-35.6	0	0	0	113.8
142	V	97.6	Very high	97.5	Very high	7 Å²	7	45.5 Å²	45.5	4%	0.042	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	126.8	-179.4	171.6	0	0	0	0	110.3	W140 Y502 A503 F511 H512	W140-V142 PolarHBondContact O-N 2.91Å; W140-V142 VanDerWaalsContact O-N 3.16Å; V142-Y502 CarbonylContact O-C 3.58Å; V142-Y502 VanDerWaalsContact O-CA 3.27Å; V142-Y502 WeakPolarHBondContact O-CA 3.15Å; V142-A503 HydrophobicContact CB-CB 4.07Å; V142-A503 HydrophobicContact CG1-CB 4.09Å; V142-A503 PolarHBondContact N-O 3.05Å; V142-A503 PolarHBondContact O-N 3.03Å; V142-F511 VanDerWaalsContact CG1-C 3.46Å; V142-F511 HydrophobicContact CG1-CB 3.94Å; V142-F511 WeakPolarHBondContact CG1-O 3.39Å; V142-H512 HydrophobicContact CG1-CB 4.47Å
143	A	98.2	Very high	97.5	Very high	62 Å²	62	47.3 Å²	47.3	51%	0.512	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	132.6	171.2	0	0	0	0	0	110	I501 Y502	A143-I501 CarbonylContact C-O 3.59Å; A143-I501 WeakPolarHBondContact CA-O 3.4Å; A143-Y502 HydrophobicContact CB-CD1 3.66Å; A143-Y502 HydrophobicContact CB-CE1 3.84Å
144	S	98.3	Very high	97.4	Very high	20 Å²	20	53.6 Å²	53.6	14%	0.14	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	-172	-174.7	-175.3	0	0	0	0	111.4	P500 I501 F511 S513 S514	S144-P500 WeakPolarHBondContact O-CA 3.18Å; S144-I501 PolarHBondContact N-O 2.86Å; S144-I501 PolarHBondContact O-N 3.28Å; S144-F511 WeakPolarHBondContact CB-O 3.3Å; S144-F511 PolarHBondContact OG-O 2.71Å; S144-S513 PolarHBondContact OG-O 3.33Å; S144-S514 WeakPolarHBondContact OG-CA 3.47Å; S144-S514 PolarHBondContact OG-N 3.41Å; S144-S514 VanDerWaalsContact OG-N 3.08Å
145	L	98.7	Very high	97.5	Very high	69 Å²	69	51 Å²	51	36%	0.361	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	142.5	-177.1	-62.2	177.8	0	0	0	112.2	L112 D498 V499 S514 L515	L112-L145 HydrophobicContact CD1-CD2 4.03Å; L112-L145 HydrophobicContact CD2-CD2 4.47Å; L145-D498 HydrophobicContact CB-CB 4.05Å; L145-V499 CarbonylContact C-O 3.43Å; L145-V499 WeakPolarHBondContact CA-O 3.34Å; L145-S514 VanDerWaalsContact O-CA 3.25Å; L145-S514 WeakPolarHBondContact O-CA 3.16Å; L145-S514 PolarHBondContact O-OG 3.09Å; L145-L515 PolarHBondContact O-N 3.29Å
146	V	98.8	Very high	97.5	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	124.6	-179.2	-173.6	0	0	0	0	110.5	D498 V499 I501 L515 N517 I520	V146-D498 VanDerWaalsContact O-CA 3.3Å; V146-D498 WeakPolarHBondContact O-CA 3.49Å; V146-V499 HydrophobicContact CB-CG2 3.89Å; V146-V499 PolarHBondContact N-O 2.89Å; V146-V499 PolarHBondContact O-N 2.8Å; V146-I501 HydrophobicContact CG2-CB 3.5Å; V146-I501 HydrophobicContact CG2-CD1 4.16Å; V146-I501 HydrophobicContact CG2-CG1 4.45Å; V146-I501 HydrophobicContact CG2-CG2 3.36Å; V146-L515 WeakPolarHBondContact CA-O 3.37Å; V146-L515 HydrophobicContact CG2-CD1 4.27Å; V146-L515 HydrophobicContact CG2-CD2 4.24Å; V146-L515 HydrophobicContact CG2-CG 4.08Å; V146-N517 VanDerWaalsContact CG1-CA 3.48Å; V146-N517 HydrophobicContact CG1-CB 3.62Å; V146-I520 HydrophobicContact CG1-CD1 4.25Å
147	R	98.4	Very high	97.5	Very high	86 Å²	86	49.6 Å²	49.6	33%	0.325	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	129.2	171.5	-66.6	171.5	-66.9	92.6	-2.1	110.5	F149 D498 L515 D516 N517	R147-F149 HydrophobicContact CB-CD1 4.44Å; R147-D498 VanDerWaalsContact CG-OD1 3.25Å; R147-D498 WeakPolarHBondContact CG-OD1 3.26Å; R147-D498 WeakPolarHBondContact CG-OD2 3.45Å; R147-L515 PolarHBondContact N-O 3.41Å; R147-D516 IonicContact CZ-OD2 2.62Å; R147-D516 IonicContact NH1-OD2 2.78Å; R147-D516 PolarHBondContact NH1-OD2 2.6Å; R147-D516 VanDerWaalsContact NH2-CB 3.34Å; R147-D516 VanDerWaalsContact NH2-N 3.11Å; R147-D516 IonicContact NH2-OD2 3.52Å; R147-N517 PolarHBondContact O-N 2.78Å
148	T	98.5	Very high	97.5	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.006	26%	0.263	C	S	.	.			trans	-112.2	-6.3	-166.9	58.6	0	0	0	0	115.7	T156 D419 V499 N517	T148-T156 WeakPolarHBondContact O-CB 3.36Å; T148-T156 WeakPolarHBondContact O-CG2 3.36Å; T148-D419 WeakPolarHBondContact CB-O 3.2Å; T148-D419 VanDerWaalsContact CG2-O 3.28Å; T148-D419 WeakPolarHBondContact CG2-O 3.24Å; T148-V499 HydrophobicContact CG2-CB 4.43Å; T148-V499 HydrophobicContact CG2-CG1 4.02Å; T148-V499 HydrophobicContact CG2-CG2 3.61Å; T148-N517 WeakPolarHBondContact CA-ND2 3.4Å; T148-N517 PolarHBondContact O-ND2 3.25Å
149	F	97.8	Very high	97.5	Very high	52 Å²	52	47.8 Å²	47.8	23%	0.228	25%	0.254	C	S	.	.			trans	-48.5	154.3	-179.2	80.9	-80.4	0	0	0	113.7	V70 W76 R147 L154 K170 D516	V70-F149 HydrophobicContact CG1-CE2 3.86Å; V70-F149 HydrophobicContact CG2-CE2 4.34Å; W76-F149 AromaticContact CH2-CZ 3.88Å; W76-F149 HydrophobicContact CH2-CZ 3.88Å; W76-F149 HydrophobicContact CZ2-CZ 4.4Å; R147-F149 HydrophobicContact CB-CD1 4.44Å; F149-L154 WeakPolarHBondContact CA-O 3.46Å; F149-L154 VanDerWaalsContact CB-O 3.27Å; F149-L154 WeakPolarHBondContact CB-O 3.33Å; F149-K170 WeakPolarHBondContact O-CD 3.38Å; F149-K170 WeakPolarHBondContact O-CE 3.36Å; F149-K170 PolarHBondContact O-NZ 2.95Å; F149-D516 WeakPolarHBondContact CE1-OD2 3.39Å
150	N	96.8	Very high	97.7	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.016	22%	0.222	C	C	.	.			trans	-109.5	-172.1	-178.8	78.5	15	0	0	0	111.9	D152 R153 S171 H173	N150-D152 PolarHBondContact O-N 2.95Å; N150-D152 PolarHBondContact OD1-N 3.45Å; N150-D152 VanDerWaalsContact OD1-N 3.1Å; N150-D152 PolarHBondContact OD1-OD1 2.94Å; N150-R153 PolarHBondContact N-O 3.3Å; N150-R153 VanDerWaalsContact N-O 3.14Å; N150-R153 WeakPolarHBondContact OD1-CA 3.27Å; N150-R153 VanDerWaalsContact OD1-CB 3.28Å; N150-R153 WeakPolarHBondContact OD1-CB 3.41Å; N150-R153 PolarHBondContact OD1-N 3.16Å; N150-R153 PolarHBondContact OD1-O 2.96Å; N150-S171 VanDerWaalsContact CB-O 3.3Å; N150-S171 WeakPolarHBondContact CB-O 3.36Å; N150-H173 WeakPolarHBondContact ND2-CA 3.29Å; N150-H173 PolarHBondContact ND2-N 3.38Å
151	S	95.6	Very high	97.7	Very high	29 Å²	29	40.4 Å²	40.4	20%	0.203	22%	0.217	C	C	.	.	S	Bend	trans	-68.2	-20.3	-171.4	66	0	0	0	0	115.1	S171 P172	S151-S171 PolarHBondContact N-O 3.35Å; S151-S171 PolarHBondContact OG-O 3.05Å; S151-P172 WeakPolarHBondContact OG-CA 3.49Å; S151-P172 VanDerWaalsContact OG-N 3.08Å
152	D	95.2	Very high	97.8	Very high	88 Å²	88	35.7 Å²	35.7	47%	0.471	19%	0.186	S	C	.	.	S	Bend	trans	-135.2	4	-172.9	72.3	-38	0	0	0	114.8	N150 P172 H173	N150-D152 PolarHBondContact O-N 2.95Å; N150-D152 PolarHBondContact OD1-N 3.45Å; N150-D152 VanDerWaalsContact OD1-N 3.1Å; N150-D152 PolarHBondContact OD1-OD1 2.94Å; D152-P172 WeakPolarHBondContact OD1-CA 3.46Å; D152-H173 PolarHBondContact OD1-N 3.4Å
153	R	96.1	Very high	97.9	Very high	126 Å²	126	35.3 Å²	35.3	48%	0.475	18%	0.184	S	C	.	.			trans	-141.3	146	179.9	-55.4	-65.3	177.5	98.3	1.1	111.9	N150 T155 H173	N150-R153 PolarHBondContact N-O 3.3Å; N150-R153 VanDerWaalsContact N-O 3.14Å; N150-R153 WeakPolarHBondContact OD1-CA 3.27Å; N150-R153 VanDerWaalsContact OD1-CB 3.28Å; N150-R153 WeakPolarHBondContact OD1-CB 3.41Å; N150-R153 PolarHBondContact OD1-N 3.16Å; N150-R153 PolarHBondContact OD1-O 2.96Å; R153-T155 WeakPolarHBondContact CB-O 3.3Å; R153-H173 HydrophobicContact CG-CB 3.82Å
154	L	96.7	Very high	97.9	Very high	144 Å²	144	32.4 Å²	32.4	75%	0.754	16%	0.16	S	C	*	.	S	Bend	trans	-67.1	-38.7	169.6	-62.7	177.3	0	0	0	111.6	F149 A496	F149-L154 WeakPolarHBondContact CA-O 3.46Å; F149-L154 VanDerWaalsContact CB-O 3.27Å; F149-L154 WeakPolarHBondContact CB-O 3.33Å; L154-A496 HydrophobicContact CB-CB 4.43Å
155	T	98.4	Very high	98	Very high	52 Å²	52	31.5 Å²	31.5	32%	0.319	15%	0.153	S	C	.	.	S	Bend	trans	-101.1	121.3	175.2	-48.1	0	0	0	0	109.2	R153 H494	R153-T155 WeakPolarHBondContact CB-O 3.3Å; T155-H494 HydrophobicContact CG2-CB 3.6Å
156	T	98.4	Very high	98	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.012	14%	0.137	C	C	.	.	P	Polyproline II helix	trans	-81.7	160.3	175.3	-169	0	0	0	0	111.6	T148 S160 A161 H420 H494	T148-T156 WeakPolarHBondContact O-CB 3.36Å; T148-T156 WeakPolarHBondContact O-CG2 3.36Å; T156-S160 WeakPolarHBondContact OG1-CB 3.36Å; T156-A161 HydrophobicContact CG2-CB 3.69Å; T156-A161 PolarHBondContact OG1-N 2.91Å; T156-H420 HydrophobicContact CG2-CB 3.69Å; T156-H494 PolarHBondContact O-ND1 3.19Å
157	D	98.3	Very high	98	Very high	7 Å²	7	28.8 Å²	28.8	4%	0.037	14%	0.14	C	C	.	.	P	Polyproline II helix	trans	-100.7	164.2	158.9	70.3	-64.9	0	0	0	110.6	G159 S160 A161 H173 K174 R233	D157-G159 VanDerWaalsContact C-N 3.31Å; D157-G159 PolarHBondContact O-N 3.21Å; D157-S160 PolarHBondContact O-N 2.99Å; D157-S160 PolarHBondContact OD1-OG 3.49Å; D157-A161 WeakPolarHBondContact O-CB 3.19Å; D157-A161 PolarHBondContact O-N 2.83Å; D157-H173 WeakPolarHBondContact OD1-CA 3.42Å; D157-H173 IonicContact OD1-CE1 2.93Å; D157-H173 IonicContact OD1-CG 3.94Å; D157-H173 IonicContact OD1-ND1 2.62Å; D157-H173 PolarHBondContact OD1-ND1 3.32Å; D157-K174 PolarHBondContact OD1-N 2.92Å; D157-K174 WeakPolarHBondContact OD2-CA 3.34Å; D157-K174 PolarHBondContact OD2-N 3.13Å; D157-R233 VanDerWaalsContact CB-NH1 3.27Å; D157-R233 WeakPolarHBondContact OD2-CD 3.34Å; D157-R233 IonicContact OD2-CZ 2.78Å; D157-R233 IonicContact OD2-NE 3.01Å; D157-R233 IonicContact OD2-NH1 2.8Å; D157-R233 PolarHBondContact OD2-NH1 2.84Å
158	S	98.7	Very high	98	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-53.7	-41.1	-175.5	-14.8	0	0	0	0	114.1	S160 A161 A162 T222 R233 D419 H420	S158-S160 PolarHBondContact O-N 3.3Å; S158-A161 PolarHBondContact O-N 3.46Å; S158-A162 WeakPolarHBondContact O-CB 3.41Å; S158-A162 PolarHBondContact O-N 2.92Å; S158-T222 VanDerWaalsContact CB-OG1 3.22Å; S158-T222 WeakPolarHBondContact CB-OG1 3.5Å; S158-R233 VanDerWaalsContact N-NH1 3.11Å; S158-R233 PolarHBondContact OG-NH1 2.94Å; S158-R233 PolarHBondContact OG-NH2 3Å; S158-D419 WeakPolarHBondContact CA-OD2 3.47Å; S158-D419 WeakPolarHBondContact CB-OD2 3.5Å; S158-H420 PolarHBondContact OG-NE2 2.87Å
159	G	98.5	Very high	98	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-63.3	-45.5	179.9	0	0	0	0	0	113.9	D157 T163 T175	D157-G159 VanDerWaalsContact C-N 3.31Å; D157-G159 PolarHBondContact O-N 3.21Å; G159-T163 WeakPolarHBondContact O-CB 3.24Å; G159-T163 PolarHBondContact O-N 3.32Å; G159-T163 PolarHBondContact O-OG1 2.75Å; G159-T175 CarbonylContact C-O 3.57Å; G159-T175 WeakPolarHBondContact CA-O 3.44Å
160	S	98.3	Very high	98	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.007	12%	0.117	C	C	.	.	H	α-helix	trans	-70.8	-36.2	177.4	-54.5	0	0	0	0	112.1	T156 D157 S158 T163 A164 P172 H173 T175	T156-S160 WeakPolarHBondContact OG1-CB 3.36Å; D157-S160 PolarHBondContact O-N 2.99Å; D157-S160 PolarHBondContact OD1-OG 3.49Å; S158-S160 PolarHBondContact O-N 3.3Å; S160-T163 PolarHBondContact O-N 3.34Å; S160-A164 PolarHBondContact O-N 3.1Å; S160-A164 VanDerWaalsContact O-N 3.15Å; S160-P172 VanDerWaalsContact OG-C 3.3Å; S160-P172 PolarHBondContact OG-O 2.8Å; S160-H173 WeakPolarHBondContact OG-CA 3.42Å; S160-T175 PolarHBondContact N-O 2.97Å
161	A	98.8	Very high	98	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-63.7	-48.1	175.4	0	0	0	0	0	111.4	T156 D157 S158 T163 A164 F165 D419	T156-A161 HydrophobicContact CG2-CB 3.69Å; T156-A161 PolarHBondContact OG1-N 2.91Å; D157-A161 WeakPolarHBondContact O-CB 3.19Å; D157-A161 PolarHBondContact O-N 2.83Å; S158-A161 PolarHBondContact O-N 3.46Å; A161-T163 VanDerWaalsContact C-N 3.31Å; A161-T163 PolarHBondContact O-N 3.34Å; A161-A164 WeakPolarHBondContact O-CA 3.39Å; A161-A164 WeakPolarHBondContact O-CB 3.44Å; A161-A164 PolarHBondContact O-N 3.06Å; A161-F165 WeakPolarHBondContact O-CD1 3.25Å; A161-F165 PolarHBondContact O-N 3.32Å; A161-D419 HydrophobicContact CB-CB 3.78Å; A161-D419 VanDerWaalsContact CB-O 3.29Å; A161-D419 WeakPolarHBondContact CB-O 3.41Å
162	A	98.8	Very high	98.1	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-61.6	-38	176.7	0	0	0	0	0	112.9	S158 A164 F165 M166 T222 A225	S158-A162 WeakPolarHBondContact O-CB 3.41Å; S158-A162 PolarHBondContact O-N 2.92Å; A162-A164 VanDerWaalsContact C-N 3.29Å; A162-A164 PolarHBondContact O-N 2.76Å; A162-F165 VanDerWaalsContact CA-CZ 3.44Å; A162-F165 HydrophobicContact CB-CE1 3.83Å; A162-F165 HydrophobicContact CB-CE2 4.35Å; A162-F165 HydrophobicContact CB-CZ 3.66Å; A162-M166 HydrophobicContact CB-CE 3.66Å; A162-M166 VanDerWaalsContact O-CB 3.25Å; A162-M166 WeakPolarHBondContact O-CB 3.44Å; A162-M166 WeakPolarHBondContact O-CE 3.49Å; A162-M166 WeakPolarHBondContact O-CG 3.47Å; A162-M166 PolarHBondContact O-N 3.27Å; A162-T222 HydrophobicContact CB-CG2 4.18Å; A162-A225 HydrophobicContact CB-CB 3.57Å
163	T	98.8	Very high	98.2	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-60.3	-40.6	171.1	-55.8	0	0	0	0	111.6	G159 S160 A161 S167 V169 G177 A196	G159-T163 WeakPolarHBondContact O-CB 3.24Å; G159-T163 PolarHBondContact O-N 3.32Å; G159-T163 PolarHBondContact O-OG1 2.75Å; S160-T163 PolarHBondContact O-N 3.34Å; A161-T163 VanDerWaalsContact C-N 3.31Å; A161-T163 PolarHBondContact O-N 3.34Å; T163-S167 WeakPolarHBondContact O-CA 3.35Å; T163-S167 WeakPolarHBondContact O-CB 3.26Å; T163-S167 PolarHBondContact O-N 3.32Å; T163-V169 HydrophobicContact CG2-CG2 4.06Å; T163-G177 PolarHBondContact OG1-N 3Å; T163-A196 HydrophobicContact CG2-CB 3.8Å
164	A	98.8	Very high	98.3	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-66.1	-56	177.5	0	0	0	0	0	112.1	S160 A161 A162 M166 G168 V169 K170 N517 T518	S160-A164 PolarHBondContact O-N 3.1Å; S160-A164 VanDerWaalsContact O-N 3.15Å; A161-A164 WeakPolarHBondContact O-CA 3.39Å; A161-A164 WeakPolarHBondContact O-CB 3.44Å; A161-A164 PolarHBondContact O-N 3.06Å; A162-A164 VanDerWaalsContact C-N 3.29Å; A162-A164 PolarHBondContact O-N 2.76Å; A164-M166 VanDerWaalsContact C-N 3.28Å; A164-M166 PolarHBondContact O-N 3.19Å; A164-G168 WeakPolarHBondContact O-CA 3.38Å; A164-G168 PolarHBondContact O-N 2.91Å; A164-V169 VanDerWaalsContact CA-O 3.22Å; A164-V169 WeakPolarHBondContact CA-O 3.28Å; A164-V169 PolarHBondContact N-O 2.87Å; A164-K170 HydrophobicContact CB-CD 4.48Å; A164-N517 HydrophobicContact CB-CB 4.42Å; A164-N517 VanDerWaalsContact CB-OD1 3.31Å; A164-N517 WeakPolarHBondContact CB-OD1 3.34Å; A164-T518 HydrophobicContact CB-CG2 3.82Å; A164-T518 WeakPolarHBondContact O-CA 3.19Å
165	F	98.8	Very high	98.3	Very high	1 Å²	1	10.9 Å²	10.9	0%	0.004	6%	0.056	C	C	.	.	H	α-helix	trans	-74.2	-14.8	-175.2	69.6	-114.7	0	0	0	114.6	L104 I106 A161 A162 T222 L371 D419 N517 I520 A521	L104-F165 HydrophobicContact CD2-CD2 3.72Å; L104-F165 HydrophobicContact CD2-CE2 4.1Å; I106-F165 HydrophobicContact CD1-CD1 4.4Å; I106-F165 HydrophobicContact CD1-CD2 4.14Å; I106-F165 HydrophobicContact CD1-CE1 4.08Å; I106-F165 HydrophobicContact CD1-CE2 3.84Å; I106-F165 HydrophobicContact CD1-CG 4.43Å; I106-F165 HydrophobicContact CD1-CZ 3.81Å; I106-F165 HydrophobicContact CG1-CE1 4.37Å; I106-F165 HydrophobicContact CG1-CE2 3.82Å; I106-F165 HydrophobicContact CG1-CZ 3.7Å; I106-F165 HydrophobicContact CG2-CE1 4.42Å; I106-F165 HydrophobicContact CG2-CZ 4.23Å; A161-F165 WeakPolarHBondContact O-CD1 3.25Å; A161-F165 PolarHBondContact O-N 3.32Å; A162-F165 VanDerWaalsContact CA-CZ 3.44Å; A162-F165 HydrophobicContact CB-CE1 3.83Å; A162-F165 HydrophobicContact CB-CE2 4.35Å; A162-F165 HydrophobicContact CB-CZ 3.66Å; F165-T222 HydrophobicContact CZ-CG2 4Å; F165-L371 HydrophobicContact CE2-CD1 4.27Å; F165-D419 HydrophobicContact CD1-CB 4.32Å; F165-D419 HydrophobicContact CE1-CB 3.59Å; F165-N517 VanDerWaalsContact CA-O 3.25Å; F165-N517 WeakPolarHBondContact CA-O 3.17Å; F165-I520 HydrophobicContact CB-CB 4.02Å; F165-I520 HydrophobicContact CB-CD1 3.96Å; F165-I520 HydrophobicContact CB-CG2 4.2Å; F165-A521 WeakPolarHBondContact O-CA 3.31Å; F165-A521 WeakPolarHBondContact O-CB 3.45Å; F165-A521 PolarHBondContact O-N 3Å
166	M	98.7	Very high	98.4	Very high	2 Å²	2	8.4 Å²	8.4	1%	0.01	4%	0.041	C	C	.	.	H	α-helix	trans	-100.7	-29.4	173.1	-68	-168.5	-88.7	0	0	114.5	A162 A164 S198 S199 T222 A225 A226 L371	A162-M166 HydrophobicContact CB-CE 3.66Å; A162-M166 VanDerWaalsContact O-CB 3.25Å; A162-M166 WeakPolarHBondContact O-CB 3.44Å; A162-M166 WeakPolarHBondContact O-CE 3.49Å; A162-M166 WeakPolarHBondContact O-CG 3.47Å; A162-M166 PolarHBondContact O-N 3.27Å; A164-M166 VanDerWaalsContact C-N 3.28Å; A164-M166 PolarHBondContact O-N 3.19Å; M166-S198 CarbonylContact O-C 3.56Å; M166-S198 WeakPolarHBondContact O-CA 3.16Å; M166-S199 PolarHBondContact O-N 3.19Å; M166-S199 PolarHBondContact O-OG 2.7Å; M166-T222 WeakPolarHBondContact CE-O 3.33Å; M166-A225 HydrophobicContact CE-CB 3.39Å; M166-A226 HydrophobicContact CE-CB 4.21Å; M166-A226 VanDerWaalsContact CE-N 3.34Å; M166-A226 VanDerWaalsContact SD-CA 3.54Å; M166-A226 HydrophobicContact SD-CB 3.58Å; M166-A226 VanDerWaalsContact SD-CB 3.58Å; M166-L371 HydrophobicContact CE-CD2 4.33Å; M166-L371 HydrophobicContact SD-CD2 3.8Å
167	S	98.7	Very high	98.3	Very high	10 Å²	10	8.4 Å²	8.4	7%	0.07	4%	0.041	C	C	.	.	H	α-helix	trans	-118	-7.5	-173.1	-50.2	0	0	0	0	114.6	T163 V169 S198	T163-S167 WeakPolarHBondContact O-CA 3.35Å; T163-S167 WeakPolarHBondContact O-CB 3.26Å; T163-S167 PolarHBondContact O-N 3.32Å; S167-V169 VanDerWaalsContact C-N 3.34Å; S167-V169 PolarHBondContact O-N 2.89Å; S167-S198 WeakPolarHBondContact OG-CA 3.45Å; S167-S198 PolarHBondContact OG-N 3.19Å
168	G	98.5	Very high	98.3	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.039	C	C	.	.	S	Bend	trans	77.7	18	175.3	0	0	0	0	0	114.2	W76 A164 T518 H522	W76-G168 WeakPolarHBondContact CB-O 3.01Å; A164-G168 WeakPolarHBondContact O-CA 3.38Å; A164-G168 PolarHBondContact O-N 2.91Å; G168-T518 WeakPolarHBondContact CA-O 3.18Å; G168-H522 PolarHBondContact O-NE2 2.82Å; G168-H522 VanDerWaalsContact O-NE2 3.12Å
169	V	98.4	Very high	98.2	Very high	12 Å²	12	8.2 Å²	8.2	7%	0.073	4%	0.04	C	C	.	.	S	Bend	trans	-134.3	144.4	-177	-56.9	0	0	0	0	110.9	P73 T163 A164 S167 T179 A196	P73-V169 HydrophobicContact CB-CG1 3.62Å; P73-V169 HydrophobicContact CG-CG1 3.98Å; T163-V169 HydrophobicContact CG2-CG2 4.06Å; A164-V169 VanDerWaalsContact CA-O 3.22Å; A164-V169 WeakPolarHBondContact CA-O 3.28Å; A164-V169 PolarHBondContact N-O 2.87Å; S167-V169 VanDerWaalsContact C-N 3.34Å; S167-V169 PolarHBondContact O-N 2.89Å; V169-T179 HydrophobicContact CG2-CG2 4.23Å; V169-A196 HydrophobicContact CG2-CB 3.68Å
170	K	97.9	Very high	98	Very high	2 Å²	2	8.8 Å²	8.8	1%	0.009	5%	0.046	C	C	.	.			trans	-74.6	144.2	170.1	-62.2	-68.7	-173.1	173.8	0	110.2	V70 W76 F149 A164 G180 D516 N517 T518	V70-K170 HydrophobicContact CG1-CB 4.12Å; V70-K170 HydrophobicContact CG1-CG 4Å; W76-K170 HydrophobicContact CD2-CG 4.25Å; W76-K170 HydrophobicContact CH2-CG 4.14Å; W76-K170 HydrophobicContact CZ2-CB 4.45Å; W76-K170 HydrophobicContact CZ2-CD 4.16Å; W76-K170 HydrophobicContact CZ2-CG 3.31Å; F149-K170 WeakPolarHBondContact O-CD 3.38Å; F149-K170 WeakPolarHBondContact O-CE 3.36Å; F149-K170 PolarHBondContact O-NZ 2.95Å; A164-K170 HydrophobicContact CB-CD 4.48Å; K170-G180 WeakPolarHBondContact O-CA 3.5Å; K170-G180 PolarHBondContact O-N 3.44Å; K170-D516 WeakPolarHBondContact CE-OD1 3.32Å; K170-D516 VanDerWaalsContact CE-OD2 3.26Å; K170-D516 WeakPolarHBondContact CE-OD2 3.47Å; K170-D516 IonicContact NZ-OD1 2.92Å; K170-D516 PolarHBondContact NZ-OD1 2.7Å; K170-D516 IonicContact NZ-OD2 3.99Å; K170-D516 PolarHBondContact NZ-OD2 3.41Å; K170-N517 PolarHBondContact NZ-OD1 2.91Å; K170-T518 HydrophobicContact CD-CG2 3.95Å; K170-T518 HydrophobicContact CG-CG2 4.09Å
171	S	97.8	Very high	97.6	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.07	C	C	.	.			trans	-124.6	152.7	-179.1	-159.9	0	0	0	0	110.2	N150 S151 T175 I178	N150-S171 VanDerWaalsContact CB-O 3.3Å; N150-S171 WeakPolarHBondContact CB-O 3.36Å; S151-S171 PolarHBondContact N-O 3.35Å; S151-S171 PolarHBondContact OG-O 3.05Å; S171-T175 PolarHBondContact OG-OG1 2.61Å; S171-I178 WeakPolarHBondContact CB-O 3.22Å; S171-I178 WeakPolarHBondContact OG-CG1 3.35Å; S171-I178 PolarHBondContact OG-O 3.49Å
172	P	97.4	Very high	97.3	Very high	8 Å²	8	13.6 Å²	13.6	5%	0.052	8%	0.076	C	C	.	.			trans	-71.4	153.5	174.1	-8.2	22.6	0	0	0	111.5	S151 D152 S160 T175 I178 V182	S151-P172 WeakPolarHBondContact OG-CA 3.49Å; S151-P172 VanDerWaalsContact OG-N 3.08Å; D152-P172 WeakPolarHBondContact OD1-CA 3.46Å; S160-P172 VanDerWaalsContact OG-C 3.3Å; S160-P172 PolarHBondContact OG-O 2.8Å; P172-T175 PolarHBondContact O-N 3.06Å; P172-T175 PolarHBondContact O-OG1 2.91Å; P172-I178 HydrophobicContact CG-CD1 4.49Å; P172-V182 WeakPolarHBondContact CG-O 3.35Å
173	H	97.4	Very high	96.8	Very high	42 Å²	42	22 Å²	22	19%	0.194	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	140.9	177.3	-175.8	52	0	0	0	113.2	N150 D152 R153 D157 S160 T175	N150-H173 WeakPolarHBondContact ND2-CA 3.29Å; N150-H173 PolarHBondContact ND2-N 3.38Å; D152-H173 PolarHBondContact OD1-N 3.4Å; R153-H173 HydrophobicContact CG-CB 3.82Å; D157-H173 WeakPolarHBondContact OD1-CA 3.42Å; D157-H173 IonicContact OD1-CE1 2.93Å; D157-H173 IonicContact OD1-CG 3.94Å; D157-H173 IonicContact OD1-ND1 2.62Å; D157-H173 PolarHBondContact OD1-ND1 3.32Å; S160-H173 WeakPolarHBondContact OG-CA 3.42Å; H173-T175 VanDerWaalsContact C-N 3.31Å; H173-T175 PolarHBondContact O-N 3.11Å
174	K	97.5	Very high	96.5	Very high	90 Å²	90	23.7 Å²	23.7	39%	0.391	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.5	10.8	-179.8	-53.9	-177.4	167.8	-166.1	0	116	D157 H232 R233	D157-K174 PolarHBondContact OD1-N 2.92Å; D157-K174 WeakPolarHBondContact OD2-CA 3.34Å; D157-K174 PolarHBondContact OD2-N 3.13Å; K174-H232 CarbonylContact O-C 3.19Å; K174-H232 VanDerWaalsContact O-CA 3.27Å; K174-H232 WeakPolarHBondContact O-CA 3.4Å; K174-R233 PolarHBondContact O-N 2.93Å
175	T	98.3	Very high	96.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.144	C	C	.	.			trans	-111.9	163.5	-177.2	69.3	0	0	0	0	111.8	G159 S160 S171 P172 H173 I178 C184	G159-T175 CarbonylContact C-O 3.57Å; G159-T175 WeakPolarHBondContact CA-O 3.44Å; S160-T175 PolarHBondContact N-O 2.97Å; S171-T175 PolarHBondContact OG-OG1 2.61Å; P172-T175 PolarHBondContact O-N 3.06Å; P172-T175 PolarHBondContact O-OG1 2.91Å; H173-T175 VanDerWaalsContact C-N 3.31Å; H173-T175 PolarHBondContact O-N 3.11Å; T175-I178 HydrophobicContact CG2-CD1 3.53Å; T175-I178 HydrophobicContact CG2-CG1 4.31Å; T175-I178 WeakPolarHBondContact OG1-CD1 3.42Å; T175-I178 VanDerWaalsContact OG1-CG1 3.23Å; T175-I178 WeakPolarHBondContact OG1-CG1 3.33Å; T175-C184 HydrophobicContact CG2-CB 3.5Å
176	V	98.5	Very high	96	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	-133.6	122.8	-174.8	174.4	0	0	0	0	108.3	I178 A221 A224 A225 A228 N229 M230 R233	V176-I178 VanDerWaalsContact C-N 3.29Å; V176-I178 PolarHBondContact O-N 2.89Å; V176-A221 HydrophobicContact CG2-CB 4.32Å; V176-A224 HydrophobicContact CG1-CB 3.91Å; V176-A225 HydrophobicContact CG1-CB 3.91Å; V176-A228 HydrophobicContact CG1-CB 4.45Å; V176-N229 CarbonylContact O-C 3.52Å; V176-N229 WeakPolarHBondContact O-CA 3.44Å; V176-M230 HydrophobicContact CB-CB 4.4Å; V176-M230 HydrophobicContact CB-CE 3.95Å; V176-M230 HydrophobicContact CG1-CE 4.08Å; V176-M230 HydrophobicContact CG2-CE 4.05Å; V176-M230 PolarHBondContact N-O 3.36Å; V176-M230 PolarHBondContact O-N 2.92Å; V176-R233 HydrophobicContact CG2-CB 3.65Å
177	G	98.2	Very high	95.8	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.01	17%	0.166	C	C	.	.	S	Bend	trans	62.2	29.9	174.5	0	0	0	0	0	114.4	T163 A196 A228 N229	T163-G177 PolarHBondContact OG1-N 3Å; G177-A196 WeakPolarHBondContact O-CB 3.38Å; G177-A196 PolarHBondContact O-N 2.97Å; G177-A228 WeakPolarHBondContact CA-O 3.33Å; G177-N229 PolarHBondContact O-ND2 2.88Å
178	I	97.5	Very high	95.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-118.3	150.9	173.7	68.2	172.7	0	0	0	110.9	S171 P172 T175 V176 L190 E194 N229 L231	S171-I178 WeakPolarHBondContact CB-O 3.22Å; S171-I178 WeakPolarHBondContact OG-CG1 3.35Å; S171-I178 PolarHBondContact OG-O 3.49Å; P172-I178 HydrophobicContact CG-CD1 4.49Å; T175-I178 HydrophobicContact CG2-CD1 3.53Å; T175-I178 HydrophobicContact CG2-CG1 4.31Å; T175-I178 WeakPolarHBondContact OG1-CD1 3.42Å; T175-I178 VanDerWaalsContact OG1-CG1 3.23Å; T175-I178 WeakPolarHBondContact OG1-CG1 3.33Å; V176-I178 VanDerWaalsContact C-N 3.29Å; V176-I178 PolarHBondContact O-N 2.89Å; I178-L190 HydrophobicContact CG2-CD1 3.78Å; I178-E194 WeakPolarHBondContact CA-O 3.19Å; I178-N229 HydrophobicContact CG2-CB 4.48Å; I178-L231 HydrophobicContact CD1-CD2 3.49Å; I178-L231 VanDerWaalsContact CD1-CD2 3.49Å; I178-L231 HydrophobicContact CD1-CG 4.49Å
179	T	96.8	Very high	95.5	Very high	4 Å²	4	40.3 Å²	40.3	3%	0.025	21%	0.209	C	C	.	.			trans	-73.7	161.8	173.6	65.7	0	0	0	0	111.2	P73 V169 T181 L193 E194 A196	P73-T179 HydrophobicContact CG-CG2 3.72Å; V169-T179 HydrophobicContact CG2-CG2 4.23Å; T179-T181 PolarHBondContact O-N 3.23Å; T179-T181 PolarHBondContact OG1-OG1 3.4Å; T179-L193 WeakPolarHBondContact CG2-O 3.33Å; T179-E194 PolarHBondContact N-O 2.63Å; T179-E194 PolarHBondContact OG1-O 3.04Å; T179-A196 HydrophobicContact CG2-CB 4.5Å
180	G	93.8	Very high	95.3	Very high	12 Å²	12	40.5 Å²	40.5	12%	0.124	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-2.9	177.9	0	0	0	0	0	115.4	A71 K170 V182	A71-G180 WeakPolarHBondContact CB-O 3.48Å; K170-G180 WeakPolarHBondContact O-CA 3.5Å; K170-G180 PolarHBondContact O-N 3.44Å; G180-V182 VanDerWaalsContact C-N 3.34Å
181	T	91.1	Very high	95.2	Very high	82 Å²	82	47.2 Å²	47.2	50%	0.503	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-13.3	-176.7	65.7	0	0	0	0	113.7	T179	T179-T181 PolarHBondContact O-N 3.23Å; T179-T181 PolarHBondContact OG1-OG1 3.4Å
182	V	91.2	Very high	95	Very high	20 Å²	20	52.6 Å²	52.6	12%	0.121	26%	0.264	C	S	.	.	S	Bend	trans	-111.8	159.2	-178.8	-169.4	0	0	0	0	110	P172 G180 L190 E194 L231	P172-V182 WeakPolarHBondContact CG-O 3.35Å; G180-V182 VanDerWaalsContact C-N 3.34Å; V182-L190 HydrophobicContact CG1-CD2 4.16Å; V182-L190 HydrophobicContact CG2-CD2 4.2Å; V182-E194 HydrophobicContact CG2-CB 3.63Å; V182-E194 VanDerWaalsContact CG2-CD 3.47Å; V182-E194 HydrophobicContact CG2-CG 3.48Å; V182-E194 VanDerWaalsContact CG2-CG 3.48Å; V182-L231 HydrophobicContact CB-CD2 4.29Å; V182-L231 HydrophobicContact CG1-CD2 3.5Å
183	K	89.6	Confident	94.8	Very high	177 Å²	177	59.7 Å²	59.7	77%	0.77	30%	0.3	S	S	*	.			trans	-104.7	140.7	175.1	-67.7	-176.3	177	-178.3	0	111.5
184	C	91.4	Very high	94.8	Very high	35 Å²	35	59.5 Å²	59.5	24%	0.236	30%	0.3	C	S	.	.	S	Bend	trans	-60.9	151.9	157.5	-164.7	0	0	0	0	109.6	T175 L231	T175-C184 HydrophobicContact CG2-CB 3.5Å; C184-L231 PolarHBondContact SG-O 2.77Å
185	C	91.6	Very high	94.7	Very high	63 Å²	63	58.5 Å²	58.5	43%	0.426	29%	0.294	S	S	.	.	S	Bend	cis	-141.3	31.6	7.2	-48	0	0	0	0	110.1	L231	C185-L231 WeakPolarHBondContact CA-O 3.22Å
186	K	95.2	Very high	94.7	Very high	105 Å²	105	58.9 Å²	58.9	46%	0.457	30%	0.297	S	S	.	.	S	Bend	trans	-94.6	132.1	-177.6	-173.8	178.7	-176.3	179.7	0	108.7	T188 L231 E243	K186-T188 PolarHBondContact O-N 3.38Å; K186-T188 VanDerWaalsContact O-N 3.08Å; K186-T188 PolarHBondContact O-OG1 2.73Å; K186-L231 VanDerWaalsContact O-CD1 3.26Å; K186-L231 WeakPolarHBondContact O-CD1 3.49Å; K186-E243 IonicContact NZ-OE1 3.74Å; K186-E243 PolarHBondContact NZ-OE1 2.78Å; K186-E243 IonicContact NZ-OE2 3.74Å; K186-E243 PolarHBondContact NZ-OE2 3.42Å
187	C	95.9	Very high	94.6	Very high	4 Å²	4	63.5 Å²	63.5	3%	0.027	32%	0.317	C	S	.	.			trans	-56.7	120.2	173	177.5	0	0	0	0	110.5	W235 P240 N242 C248	C187-W235 HydrophobicContact CB-CH2 4.16Å; C187-P240 HydrophobicContact CB-CG 4.04Å; C187-P240 WeakPolarHBondContact CB-O 3.45Å; C187-P240 PolarHBondContact SG-O 2.8Å; C187-N242 HydrophobicContact CB-CB 4.28Å; C187-N242 VanDerWaalsContact O-CB 3.24Å; C187-N242 WeakPolarHBondContact O-CB 3.19Å; C187-C248 WeakPolarHBondContact CA-SG 3.28Å; C187-C248 HydrophobicContact CB-CB 3.96Å; C187-C248 WeakPolarHBondContact CB-SG 3.18Å; C187-C248 VanDerWaalsContact SG-CA 3.59Å; C187-C248 WeakPolarHBondContact SG-CB 3.38Å; C187-C248 PolarHBondContact SG-N 3.48Å; C187-C248 CovalentContact SG-SG 2.04Å; C187-C248 PolarHBondContact SG-SG 3.31Å
188	T	95	Very high	94.6	Very high	60 Å²	60	63.6 Å²	63.6	37%	0.368	32%	0.317	S	S	.	.			trans	-141.5	138.1	-177.2	-52.2	0	0	0	0	107.1	K186 L190	K186-T188 PolarHBondContact O-N 3.38Å; K186-T188 VanDerWaalsContact O-N 3.08Å; K186-T188 PolarHBondContact O-OG1 2.73Å; T188-L190 PolarHBondContact O-N 2.93Å
189	E	94.8	Very high	94.6	Very high	130 Å²	130	63.8 Å²	63.8	61%	0.607	32%	0.319	S	S	*	.			trans	-68	113.4	172.8	-175.1	170.8	-163.1	0	0	109.1	F246	E189-F246 HydrophobicContact CB-CD1 4.11Å; E189-F246 HydrophobicContact CB-CD2 3.98Å; E189-F246 HydrophobicContact CB-CE1 3.95Å; E189-F246 HydrophobicContact CB-CE2 3.82Å; E189-F246 HydrophobicContact CB-CG 4.13Å; E189-F246 HydrophobicContact CB-CZ 3.81Å; E189-F246 HydrophobicContact CG-CD2 4.15Å; E189-F246 HydrophobicContact CG-CE2 3.65Å; E189-F246 HydrophobicContact CG-CZ 3.87Å
190	L	94.7	Very high	94.7	Very high	15 Å²	15	63.7 Å²	63.7	8%	0.079	32%	0.318	C	S	.	.			trans	-76.9	142.1	-178.9	-64.9	172.2	0	0	0	110.7	I178 V182 T188 E194 R195 N229 L231	I178-L190 HydrophobicContact CG2-CD1 3.78Å; V182-L190 HydrophobicContact CG1-CD2 4.16Å; V182-L190 HydrophobicContact CG2-CD2 4.2Å; T188-L190 PolarHBondContact O-N 2.93Å; L190-E194 WeakPolarHBondContact CA-OE2 3.49Å; L190-E194 HydrophobicContact CD2-CB 4.19Å; L190-R195 HydrophobicContact CB-CG 4.12Å; L190-R195 HydrophobicContact CD1-CG 4.32Å; L190-R195 PolarHBondContact O-NH1 2.97Å; L190-R195 PolarHBondContact O-NH2 3.28Å; L190-N229 HydrophobicContact CD1-CB 4.18Å; L190-L231 HydrophobicContact CD2-CD1 4.02Å; L190-L231 HydrophobicContact CD2-CD2 4.16Å; L190-L231 HydrophobicContact CD2-CG 4.2Å; L190-L231 HydrophobicContact CG-CD1 4.41Å
191	K	95.4	Very high	94.9	Very high	144 Å²	144	65.1 Å²	65.1	63%	0.626	32%	0.322	S	S	*	.			trans	-80.5	158.4	166	-61.4	174.5	-176.1	172.7	0	110.2	L193 E194 R195	K191-L193 VanDerWaalsContact C-N 3.25Å; K191-L193 PolarHBondContact O-N 3.16Å; K191-E194 HydrophobicContact CB-CG 4.13Å; K191-E194 PolarHBondContact N-OE2 3Å; K191-E194 WeakPolarHBondContact O-CB 3.42Å; K191-E194 PolarHBondContact O-N 2.81Å; K191-R195 PolarHBondContact O-N 3.34Å
192	E	93.9	Very high	95.3	Very high	112 Å²	112	64.5 Å²	64.5	52%	0.523	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-36.6	178	-75.3	-57.8	106.5	0	0	113.7	E194 R195 K197	E192-E194 PolarHBondContact O-N 3.15Å; E192-R195 PolarHBondContact O-N 2.99Å; E192-R195 IonicContact OE1-CZ 3.68Å; E192-R195 IonicContact OE1-NE 3.62Å; E192-R195 IonicContact OE1-NH1 3.71Å; E192-R195 PolarHBondContact OE1-NH1 3.07Å; E192-K197 IonicContact OE2-NZ 2.91Å
193	L	93.1	Very high	95.6	Very high	157 Å²	157	63.6 Å²	63.6	82%	0.822	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-19.1	177	-69.6	163.6	0	0	0	113.1	T179 K191	T179-L193 WeakPolarHBondContact CG2-O 3.33Å; K191-L193 VanDerWaalsContact C-N 3.25Å; K191-L193 PolarHBondContact O-N 3.16Å
194	E	96.6	Very high	96	Very high	39 Å²	39	56.1 Å²	56.1	18%	0.182	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-19.8	-180	-64.9	169.1	166.2	0	0	111.9	I178 T179 V182 L190 K191 E192	I178-E194 WeakPolarHBondContact CA-O 3.19Å; T179-E194 PolarHBondContact N-O 2.63Å; T179-E194 PolarHBondContact OG1-O 3.04Å; V182-E194 HydrophobicContact CG2-CB 3.63Å; V182-E194 VanDerWaalsContact CG2-CD 3.47Å; V182-E194 HydrophobicContact CG2-CG 3.48Å; V182-E194 VanDerWaalsContact CG2-CG 3.48Å; L190-E194 WeakPolarHBondContact CA-OE2 3.49Å; L190-E194 HydrophobicContact CD2-CB 4.19Å; K191-E194 HydrophobicContact CB-CG 4.13Å; K191-E194 PolarHBondContact N-OE2 3Å; K191-E194 WeakPolarHBondContact O-CB 3.42Å; K191-E194 PolarHBondContact O-N 2.81Å; E192-E194 PolarHBondContact O-N 3.15Å
195	R	97.2	Very high	96.3	Very high	69 Å²	69	63.5 Å²	63.5	26%	0.26	30%	0.303	S	S	.	.	B	Isolated β-bridge	trans	-81.2	118.7	175.5	-65.7	-177.3	176.9	86.1	13.5	110.1	L190 K191 E192 N229	L190-R195 HydrophobicContact CB-CG 4.12Å; L190-R195 HydrophobicContact CD1-CG 4.32Å; L190-R195 PolarHBondContact O-NH1 2.97Å; L190-R195 PolarHBondContact O-NH2 3.28Å; K191-R195 PolarHBondContact O-N 3.34Å; E192-R195 PolarHBondContact O-N 2.99Å; E192-R195 IonicContact OE1-CZ 3.68Å; E192-R195 IonicContact OE1-NE 3.62Å; E192-R195 IonicContact OE1-NH1 3.71Å; E192-R195 PolarHBondContact OE1-NH1 3.07Å; R195-N229 HydrophobicContact CB-CB 4.41Å; R195-N229 HydrophobicContact CG-CB 4.05Å
196	A	97.3	Very high	96.6	Very high	8 Å²	8	62.2 Å²	62.2	7%	0.066	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-74.5	131.1	171.3	0	0	0	0	0	109.4	T163 V169 G177 T179 N229	T163-A196 HydrophobicContact CG2-CB 3.8Å; V169-A196 HydrophobicContact CG2-CB 3.68Å; G177-A196 WeakPolarHBondContact O-CB 3.38Å; G177-A196 PolarHBondContact O-N 2.97Å; T179-A196 HydrophobicContact CG2-CB 4.5Å; A196-N229 PolarHBondContact O-ND2 2.83Å
197	K	95.8	Very high	96.7	Very high	97 Å²	97	58.7 Å²	58.7	42%	0.422	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-101.8	116.8	179.1	-67.1	178.7	-177.6	176.6	0	108.7	E192 Y202	E192-K197 IonicContact OE2-NZ 2.91Å; K197-Y202 HydrophobicContact CB-CD2 4.26Å; K197-Y202 HydrophobicContact CB-CE2 3.51Å; K197-Y202 WeakPolarHBondContact O-CE2 3.47Å
198	S	98.5	Very high	96.9	Very high	3 Å²	3	59.4 Å²	59.4	2%	0.021	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-71.8	154.6	-178.3	72.3	0	0	0	0	112.1	M166 S167 I200 M201 Y202 A226	M166-S198 CarbonylContact O-C 3.56Å; M166-S198 WeakPolarHBondContact O-CA 3.16Å; S167-S198 WeakPolarHBondContact OG-CA 3.45Å; S167-S198 PolarHBondContact OG-N 3.19Å; S198-I200 PolarHBondContact O-N 2.62Å; S198-M201 PolarHBondContact O-N 3.07Å; S198-M201 VanDerWaalsContact O-N 3.1Å; S198-M201 WeakPolarHBondContact OG-CG 3.34Å; S198-M201 PolarHBondContact OG-N 2.77Å; S198-Y202 VanDerWaalsContact O-CD2 3.3Å; S198-Y202 WeakPolarHBondContact O-CD2 3.41Å; S198-Y202 PolarHBondContact O-N 3.21Å; S198-A226 WeakPolarHBondContact CB-O 3.19Å; S198-A226 PolarHBondContact OG-O 2.74Å
199	S	98.7	Very high	97.1	Very high	4 Å²	4	57 Å²	57	3%	0.028	28%	0.28	C	S	.	.	H	α-helix	trans	-56	-35.3	169.8	56.2	0	0	0	0	111.7	M166 Y202 A203	M166-S199 PolarHBondContact O-N 3.19Å; M166-S199 PolarHBondContact O-OG 2.7Å; S199-Y202 PolarHBondContact O-N 3.07Å; S199-A203 WeakPolarHBondContact O-CB 3.2Å; S199-A203 PolarHBondContact O-N 3.29Å
200	I	98.7	Very high	97.3	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.01	25%	0.251	C	S	.	.	H	α-helix	trans	-61	-45.3	173.9	-65.2	-76.7	0	0	0	111.3	S198 A203 S204 T210 A226 V262 L369	S198-I200 PolarHBondContact O-N 2.62Å; I200-A203 PolarHBondContact O-N 2.92Å; I200-S204 WeakPolarHBondContact O-CB 3.34Å; I200-S204 PolarHBondContact O-N 3.13Å; I200-T210 HydrophobicContact CG2-CG2 4.41Å; I200-A226 HydrophobicContact CB-CB 4.41Å; I200-A226 HydrophobicContact CG1-CB 4.28Å; I200-V262 HydrophobicContact CG2-CG2 4.14Å; I200-L369 HydrophobicContact CD1-CB 4.4Å; I200-L369 HydrophobicContact CD1-CD2 3.82Å; I200-L369 HydrophobicContact CD1-CG 3.65Å; I200-L369 HydrophobicContact CG1-CD2 4.17Å; I200-L369 HydrophobicContact CG1-CG 4.49Å
201	M	98.1	Very high	97.5	Very high	41 Å²	41	50.1 Å²	50.1	20%	0.202	25%	0.247	C	C	.	.	H	α-helix	trans	-69	-38.5	177.1	-66.4	-61.2	95.6	0	0	111.9	S198 K205 V262	S198-M201 PolarHBondContact O-N 3.07Å; S198-M201 VanDerWaalsContact O-N 3.1Å; S198-M201 WeakPolarHBondContact OG-CG 3.34Å; S198-M201 PolarHBondContact OG-N 2.77Å; M201-K205 WeakPolarHBondContact O-CB 3.45Å; M201-K205 PolarHBondContact O-N 2.98Å; M201-V262 HydrophobicContact CE-CG2 3.52Å
202	Y	98.4	Very high	97.6	Very high	70 Å²	70	43.3 Å²	43.3	28%	0.275	22%	0.217	S	C	.	.	H	α-helix	trans	-64	-43.6	174.1	-79.1	-61.8	0	0	0	112.5	K197 S198 S199 K205 A206 M525	K197-Y202 HydrophobicContact CB-CD2 4.26Å; K197-Y202 HydrophobicContact CB-CE2 3.51Å; K197-Y202 WeakPolarHBondContact O-CE2 3.47Å; S198-Y202 VanDerWaalsContact O-CD2 3.3Å; S198-Y202 WeakPolarHBondContact O-CD2 3.41Å; S198-Y202 PolarHBondContact O-N 3.21Å; S199-Y202 PolarHBondContact O-N 3.07Å; Y202-K205 PolarHBondContact O-N 3.24Å; Y202-A206 WeakPolarHBondContact O-CB 3.28Å; Y202-A206 PolarHBondContact O-N 3.49Å; Y202-M525 HydrophobicContact CD2-SD 3.45Å; Y202-M525 WeakPolarHBondContact CD2-SD 3.2Å; Y202-M525 HydrophobicContact CE2-SD 3.86Å; Y202-M525 HydrophobicContact CG-SD 4.25Å
203	A	98.6	Very high	97.9	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-63.2	-48.4	178.6	0	0	0	0	0	110.9	S199 I200 K205 A206 G207 F208 T210 L369 I530	S199-A203 WeakPolarHBondContact O-CB 3.2Å; S199-A203 PolarHBondContact O-N 3.29Å; I200-A203 PolarHBondContact O-N 2.92Å; A203-K205 VanDerWaalsContact C-N 3.34Å; A203-K205 PolarHBondContact O-N 2.69Å; A203-A206 CarbonylContact O-C 3.52Å; A203-A206 PolarHBondContact O-N 3.19Å; A203-A206 VanDerWaalsContact O-N 3.09Å; A203-G207 PolarHBondContact O-N 2.93Å; A203-G207 VanDerWaalsContact O-N 3.15Å; A203-F208 HydrophobicContact CB-CB 4.04Å; A203-F208 HydrophobicContact CB-CG 4.5Å; A203-F208 WeakPolarHBondContact O-CB 3.44Å; A203-F208 PolarHBondContact O-N 3.34Å; A203-T210 HydrophobicContact CB-CG2 3.65Å; A203-L369 HydrophobicContact CB-CB 4.04Å; A203-L369 HydrophobicContact CB-CD2 3.98Å; A203-I530 HydrophobicContact CB-CD1 3.72Å
204	S	98.1	Very high	98.1	Very high	21 Å²	21	30.5 Å²	30.5	15%	0.147	15%	0.153	C	C	.	.	H	α-helix	trans	-58	-45.4	176.4	-175.2	0	0	0	0	111.5	I200 A206 G207 H261	I200-S204 WeakPolarHBondContact O-CB 3.34Å; I200-S204 PolarHBondContact O-N 3.13Å; S204-A206 VanDerWaalsContact C-N 3.31Å; S204-A206 PolarHBondContact O-N 3.02Å; S204-G207 PolarHBondContact O-N 3.37Å; S204-H261 WeakPolarHBondContact OG-CB 3.38Å; S204-H261 PolarHBondContact OG-O 3.41Å
205	K	97.3	Very high	98.3	Very high	189 Å²	189	29 Å²	29	82%	0.822	15%	0.146	S	C	*	.	H	α-helix	trans	-64	-32.8	176.3	-174	176.1	178.7	-178.9	0	113.2	M201 Y202 A203 G207	M201-K205 WeakPolarHBondContact O-CB 3.45Å; M201-K205 PolarHBondContact O-N 2.98Å; Y202-K205 PolarHBondContact O-N 3.24Å; A203-K205 VanDerWaalsContact C-N 3.34Å; A203-K205 PolarHBondContact O-N 2.69Å; K205-G207 PolarHBondContact O-N 3.49Å
206	A	97.7	Very high	98.3	Very high	37 Å²	37	25.7 Å²	25.7	31%	0.306	13%	0.134	S	C	.	.	H	α-helix	trans	-77.3	-5.1	175.4	0	0	0	0	0	113.4	Y202 A203 S204 F208 K366 I530	Y202-A206 WeakPolarHBondContact O-CB 3.28Å; Y202-A206 PolarHBondContact O-N 3.49Å; A203-A206 CarbonylContact O-C 3.52Å; A203-A206 PolarHBondContact O-N 3.19Å; A203-A206 VanDerWaalsContact O-N 3.09Å; S204-A206 VanDerWaalsContact C-N 3.31Å; S204-A206 PolarHBondContact O-N 3.02Å; A206-F208 HydrophobicContact CB-CD2 3.93Å; A206-F208 HydrophobicContact CB-CE2 4.18Å; A206-K366 PolarHBondContact O-NZ 3.49Å; A206-I530 HydrophobicContact CB-CB 4.41Å; A206-I530 HydrophobicContact CB-CG2 3.59Å
207	G	97.9	Very high	98.4	Very high	31 Å²	31	26.7 Å²	26.7	32%	0.32	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.5	14	178.3	0	0	0	0	0	114.4	A203 S204 K205 N364 K366	A203-G207 PolarHBondContact O-N 2.93Å; A203-G207 VanDerWaalsContact O-N 3.15Å; S204-G207 PolarHBondContact O-N 3.37Å; K205-G207 PolarHBondContact O-N 3.49Å; G207-N364 PolarHBondContact O-ND2 2.92Å; G207-K366 WeakPolarHBondContact O-CD 3.34Å
208	F	98.7	Very high	98.6	Very high	19 Å²	19	22.1 Å²	22.1	8%	0.083	12%	0.116	C	C	.	.			trans	-71.7	152	165.3	-71.5	-105	0	0	0	109.5	A203 A206 K366 L528 I530	A203-F208 HydrophobicContact CB-CB 4.04Å; A203-F208 HydrophobicContact CB-CG 4.5Å; A203-F208 WeakPolarHBondContact O-CB 3.44Å; A203-F208 PolarHBondContact O-N 3.34Å; A206-F208 HydrophobicContact CB-CD2 3.93Å; A206-F208 HydrophobicContact CB-CE2 4.18Å; F208-K366 WeakPolarHBondContact CD1-O 3.36Å; F208-K366 WeakPolarHBondContact CE1-O 3.37Å; F208-L528 HydrophobicContact CD1-CD2 4.44Å; F208-L528 HydrophobicContact CE1-CB 4.48Å; F208-L528 HydrophobicContact CE1-CD2 3.83Å; F208-L528 HydrophobicContact CZ-CB 4.31Å; F208-L528 HydrophobicContact CZ-CD2 4.4Å; F208-L528 WeakPolarHBondContact CZ-O 3.31Å; F208-I530 HydrophobicContact CD2-CG2 3.98Å; F208-I530 HydrophobicContact CE2-CG2 3.58Å; F208-I530 HydrophobicContact CZ-CG2 4.36Å
209	S	98.8	Very high	98.6	Very high	10 Å²	10	22 Å²	22	7%	0.07	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	141.3	167.6	-80.3	0	0	0	0	109.7	N263 N364 G367 F368 L369	S209-N263 WeakPolarHBondContact CA-OD1 3.11Å; S209-N263 WeakPolarHBondContact CB-OD1 3.48Å; S209-N263 PolarHBondContact OG-OD1 3.31Å; S209-N364 PolarHBondContact N-ND2 3.28Å; S209-N364 VanDerWaalsContact OG-CB 3.27Å; S209-N364 WeakPolarHBondContact OG-CB 3.33Å; S209-N364 PolarHBondContact OG-ND2 3.44Å; S209-N364 VanDerWaalsContact OG-ND2 3.09Å; S209-G367 PolarHBondContact N-O 3.38Å; S209-G367 VanDerWaalsContact N-O 3.12Å; S209-F368 CarbonylContact O-C 3.14Å; S209-F368 WeakPolarHBondContact O-CA 3.28Å; S209-F368 WeakPolarHBondContact O-CB 3.12Å; S209-L369 PolarHBondContact O-N 2.95Å
210	T	98.9	Very high	98.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	145.2	-177.8	60.5	0	0	0	0	113.3	I200 A203 V262 N263 V264 L361 L369	I200-T210 HydrophobicContact CG2-CG2 4.41Å; A203-T210 HydrophobicContact CB-CG2 3.65Å; T210-V262 WeakPolarHBondContact O-CG1 3.3Å; T210-N263 PolarHBondContact N-OD1 3.06Å; T210-N263 VanDerWaalsContact N-OD1 3.16Å; T210-N263 WeakPolarHBondContact O-CB 3.45Å; T210-N263 PolarHBondContact O-N 3.14Å; T210-V264 PolarHBondContact O-N 3.26Å; T210-L361 WeakPolarHBondContact O-CD2 3.4Å; T210-L369 VanDerWaalsContact CA-O 3.26Å; T210-L369 WeakPolarHBondContact CA-O 3.38Å; T210-L369 HydrophobicContact CG2-CB 4.41Å
211	G	98.9	Very high	98.5	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	149.2	-179.3	0	0	0	0	0	114	V264 L369 L371	G211-V264 CarbonylContact C-O 3.48Å; G211-V264 WeakPolarHBondContact CA-O 3.39Å; G211-L369 PolarHBondContact N-O 3.32Å; G211-L371 PolarHBondContact O-N 3.19Å
212	I	98.9	Very high	98.6	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	112.8	173.1	-58.2	164.3	0	0	0	106.8	P223 A226 Y227 V262 V264 I265 M266 L371	I212-P223 HydrophobicContact CG2-CB 3.76Å; I212-A226 HydrophobicContact CD1-CB 3.56Å; I212-A226 HydrophobicContact CG1-CB 4.07Å; I212-Y227 HydrophobicContact CD1-CD1 3.95Å; I212-V262 HydrophobicContact CD1-CG1 4.33Å; I212-V262 HydrophobicContact CG1-CG1 4.43Å; I212-V264 PolarHBondContact N-O 3.02Å; I212-I265 HydrophobicContact CD1-CG1 4.49Å; I212-I265 CarbonylContact O-C 3.52Å; I212-I265 VanDerWaalsContact O-CA 3.29Å; I212-I265 WeakPolarHBondContact O-CA 3.4Å; I212-M266 PolarHBondContact O-N 3.43Å; I212-L371 HydrophobicContact CG2-CD2 4.41Å
213	V	99	Very high	98.6	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	131.4	177.2	176.9	0	0	0	0	108.4	M266 L350 M353 A357 L370 L371 V372 E373	V213-M266 CarbonylContact C-O 3.28Å; V213-M266 WeakPolarHBondContact CA-O 3.43Å; V213-M266 HydrophobicContact CG2-CB 4.44Å; V213-M266 HydrophobicContact CG2-CE 3.96Å; V213-L350 HydrophobicContact CG1-CD1 3.68Å; V213-M353 HydrophobicContact CG1-CB 3.5Å; V213-M353 VanDerWaalsContact CG1-CB 3.5Å; V213-M353 HydrophobicContact CG1-CE 4.2Å; V213-M353 HydrophobicContact CG1-SD 4.44Å; V213-A357 HydrophobicContact CG2-CB 3.71Å; V213-L370 HydrophobicContact CG2-CD1 4.03Å; V213-L371 PolarHBondContact N-O 3.16Å; V213-V372 CarbonylContact O-C 3.42Å; V213-V372 WeakPolarHBondContact O-CA 3.47Å; V213-E373 PolarHBondContact O-N 3.05Å
214	T	98.9	Very high	98.6	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	150.4	-178.6	-179.5	0	0	0	0	111.8	A216 V218 P223 M266 G267 E373	T214-A216 VanDerWaalsContact C-N 3.32Å; T214-A216 WeakPolarHBondContact OG1-CB 3.35Å; T214-A216 PolarHBondContact OG1-N 3.45Å; T214-V218 HydrophobicContact CG2-CG1 4.1Å; T214-P223 HydrophobicContact CG2-CB 4.23Å; T214-P223 HydrophobicContact CG2-CG 4.17Å; T214-M266 PolarHBondContact N-O 3.42Å; T214-G267 WeakPolarHBondContact O-CA 3.12Å; T214-E373 WeakPolarHBondContact CA-O 3.14Å; T214-E373 WeakPolarHBondContact CB-OE2 3.26Å; T214-E373 VanDerWaalsContact OG1-CD 3.26Å; T214-E373 PolarHBondContact OG1-OE2 3.39Å
215	T	98.9	Very high	98.6	Very high	7 Å²	7	16.5 Å²	16.5	4%	0.043	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	-6	164.4	56.7	0	0	0	0	113	L338 L350 E373 G375 R376	T215-L338 HydrophobicContact CG2-CD2 4.47Å; T215-L338 WeakPolarHBondContact O-CB 3.41Å; T215-L338 PolarHBondContact O-N 2.86Å; T215-L350 HydrophobicContact CG2-CB 3.91Å; T215-L350 HydrophobicContact CG2-CD1 4.14Å; T215-L350 HydrophobicContact CG2-CD2 4.31Å; T215-L350 HydrophobicContact CG2-CG 4.34Å; T215-E373 PolarHBondContact N-O 2.9Å; T215-E373 VanDerWaalsContact N-O 3.16Å; T215-G375 PolarHBondContact OG1-N 2.97Å; T215-R376 PolarHBondContact OG1-N 3.35Å
216	A	98.8	Very high	98.7	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	-172.6	173.1	0	0	0	0	0	112.5	T214 H220 G268 H337	T214-A216 VanDerWaalsContact C-N 3.32Å; T214-A216 WeakPolarHBondContact OG1-CB 3.35Å; T214-A216 PolarHBondContact OG1-N 3.45Å; A216-H220 HydrophobicContact CB-CB 4.17Å; A216-G268 PolarHBondContact O-N 3.41Å; A216-H337 WeakPolarHBondContact CA-ND1 3.31Å
217	R	98.8	Very high	98.7	Very high	30 Å²	30	6.1 Å²	6.1	11%	0.113	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	137.8	166.1	-62	-176.5	-72.3	-80.9	-4.9	107.6	T219 H220 P223 E236 G268 E272 S336 H337	R217-T219 PolarHBondContact O-N 3.17Å; R217-H220 HydrophobicContact CB-CB 4.16Å; R217-H220 PolarHBondContact NH2-CD2 3.37Å; R217-H220 WeakPolarHBondContact O-CB 3.26Å; R217-H220 PolarHBondContact O-N 2.97Å; R217-P223 WeakPolarHBondContact O-CG 3.1Å; R217-E236 IonicContact CZ-OE1 2.77Å; R217-E236 VanDerWaalsContact CZ-OE1 3.26Å; R217-E236 IonicContact CZ-OE2 3.01Å; R217-E236 VanDerWaalsContact NE-CD 3.33Å; R217-E236 IonicContact NE-OE1 2.81Å; R217-E236 PolarHBondContact NE-OE1 2.76Å; R217-E236 IonicContact NE-OE2 3.23Å; R217-E236 PolarHBondContact NE-OE2 3.31Å; R217-E236 IonicContact NH2-OE1 3.71Å; R217-E236 PolarHBondContact NH2-OE1 3.3Å; R217-E236 IonicContact NH2-OE2 3.47Å; R217-G268 WeakPolarHBondContact CA-O 3.34Å; R217-E272 WeakPolarHBondContact CD-OE1 3.19Å; R217-E272 IonicContact NE-OE1 3.16Å; R217-S336 PolarHBondContact NH1-OG 3.43Å; R217-H337 VanDerWaalsContact CZ-CE1 3.46Å; R217-H337 PolarHBondContact N-ND1 2.92Å; R217-H337 VanDerWaalsContact N-ND1 3.2Å; R217-H337 PolarHBondContact NH1-CD2 3.41Å; R217-H337 PolarHBondContact NH1-CE1 3.23Å; R217-H337 PolarHBondContact NH1-NE2 3.18Å
218	V	98.9	Very high	98.7	Very high	1 Å²	1	4.6 Å²	4.6	1%	0.006	2%	0.022	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-16.9	176.7	-58.6	0	0	0	0	113	T214 P223 Y227 L255 I265 G268 F273 L332	T214-V218 HydrophobicContact CG2-CG1 4.1Å; V218-P223 WeakPolarHBondContact O-CG 3.25Å; V218-Y227 PolarHBondContact O-OH 2.88Å; V218-Y227 VanDerWaalsContact O-OH 3.08Å; V218-L255 HydrophobicContact CG2-CD1 3.92Å; V218-I265 HydrophobicContact CB-CG2 3.9Å; V218-I265 HydrophobicContact CG1-CG2 3.77Å; V218-I265 HydrophobicContact CG2-CG2 4.39Å; V218-G268 PolarHBondContact N-O 3.12Å; V218-F273 HydrophobicContact CG2-CE2 3.92Å; V218-F273 HydrophobicContact CG2-CZ 3.81Å; V218-L332 HydrophobicContact CB-CD2 4.43Å; V218-L332 HydrophobicContact CG1-CD2 3.95Å; V218-L332 HydrophobicContact CG2-CD2 3.57Å
219	T	98.8	Very high	98.7	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.025	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-5	173.5	51.9	0	0	0	0	114.1	R217 Y227 E236 A251 A252 E272 F273	R217-T219 PolarHBondContact O-N 3.17Å; T219-Y227 WeakPolarHBondContact CA-OH 3.43Å; T219-E236 VanDerWaalsContact C-OE2 3.23Å; T219-E236 WeakPolarHBondContact CB-OE2 3.35Å; T219-E236 WeakPolarHBondContact O-CG 3.33Å; T219-E236 PolarHBondContact OG1-OE2 2.98Å; T219-A251 HydrophobicContact CG2-CB 4.19Å; T219-A252 HydrophobicContact CG2-CB 3.9Å; T219-E272 HydrophobicContact CG2-CB 4.17Å; T219-E272 WeakPolarHBondContact OG1-CG 3.48Å; T219-F273 HydrophobicContact CG2-CE2 3.93Å; T219-F273 HydrophobicContact CG2-CZ 3.71Å
220	H	98.6	Very high	98.7	Very high	19 Å²	19	4.7 Å²	4.7	9%	0.088	2%	0.022	C	C	.	.	S	Bend	trans	-65.9	166.1	178.2	-162.1	-121	0	0	0	110.6	A216 R217 T222 P223 A224 E236	A216-H220 HydrophobicContact CB-CB 4.17Å; R217-H220 HydrophobicContact CB-CB 4.16Å; R217-H220 PolarHBondContact NH2-CD2 3.37Å; R217-H220 WeakPolarHBondContact O-CB 3.26Å; R217-H220 PolarHBondContact O-N 2.97Å; H220-T222 PolarHBondContact O-N 3.02Å; H220-P223 HydrophobicContact CB-CG 4.21Å; H220-P223 WeakPolarHBondContact O-CD 3.25Å; H220-P223 WeakPolarHBondContact O-CG 3.5Å; H220-A224 WeakPolarHBondContact O-CB 3.3Å; H220-A224 PolarHBondContact O-N 2.88Å; H220-E236 PolarHBondContact N-OE2 3.21Å
221	A	98.3	Very high	98.6	Very high	1 Å²	1	4.8 Å²	4.8	1%	0.008	2%	0.023	C	C	.	.	H	α-helix	trans	-57	-44.7	-165.5	0	0	0	0	0	114.2	V176 A225 R233	V176-A221 HydrophobicContact CG2-CB 4.32Å; A221-A225 PolarHBondContact O-N 3.03Å; A221-R233 HydrophobicContact CB-CB 3.99Å
222	T	98.7	Very high	98.5	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-64	-58.2	179.7	-54.1	0	0	0	0	112.5	I106 D108 S158 A162 F165 M166 H220 A224 A225 E373	I106-T222 HydrophobicContact CG2-CG2 4.42Å; D108-T222 PolarHBondContact OD2-OG1 2.94Å; S158-T222 VanDerWaalsContact CB-OG1 3.22Å; S158-T222 WeakPolarHBondContact CB-OG1 3.5Å; A162-T222 HydrophobicContact CB-CG2 4.18Å; F165-T222 HydrophobicContact CZ-CG2 4Å; M166-T222 WeakPolarHBondContact CE-O 3.33Å; H220-T222 PolarHBondContact O-N 3.02Å; T222-A224 VanDerWaalsContact C-N 3.34Å; T222-A224 PolarHBondContact O-N 3.36Å; T222-A225 PolarHBondContact O-N 2.94Å; T222-E373 WeakPolarHBondContact CB-OE1 3.49Å; T222-E373 HydrophobicContact CG2-CG 3.99Å
223	P	98.8	Very high	98.5	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-69	-32.3	180	27.2	-34.1	0	0	0	112.1	I212 T214 R217 V218 H220 A225 A226 Y227 E373	I212-P223 HydrophobicContact CG2-CB 3.76Å; T214-P223 HydrophobicContact CG2-CB 4.23Å; T214-P223 HydrophobicContact CG2-CG 4.17Å; R217-P223 WeakPolarHBondContact O-CG 3.1Å; V218-P223 WeakPolarHBondContact O-CG 3.25Å; H220-P223 HydrophobicContact CB-CG 4.21Å; H220-P223 WeakPolarHBondContact O-CD 3.25Å; H220-P223 WeakPolarHBondContact O-CG 3.5Å; P223-A225 VanDerWaalsContact C-N 3.3Å; P223-A225 PolarHBondContact O-N 2.94Å; P223-A226 WeakPolarHBondContact O-CB 3.31Å; P223-A226 PolarHBondContact O-N 2.94Å; P223-A226 VanDerWaalsContact O-N 3.11Å; P223-Y227 WeakPolarHBondContact O-CE1 3.5Å; P223-E373 VanDerWaalsContact CD-OE2 3.28Å; P223-E373 WeakPolarHBondContact CD-OE2 3.46Å
224	A	98.8	Very high	98.4	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-64.2	-32.9	178.1	0	0	0	0	0	112.7	V176 H220 T222 A226 Y227 A228 M230 A251	V176-A224 HydrophobicContact CG1-CB 3.91Å; H220-A224 WeakPolarHBondContact O-CB 3.3Å; H220-A224 PolarHBondContact O-N 2.88Å; T222-A224 VanDerWaalsContact C-N 3.34Å; T222-A224 PolarHBondContact O-N 3.36Å; A224-A226 PolarHBondContact O-N 2.9Å; A224-Y227 HydrophobicContact CB-CE1 4.5Å; A224-Y227 PolarHBondContact O-N 3.02Å; A224-A228 HydrophobicContact CB-CB 4.36Å; A224-A228 WeakPolarHBondContact O-CB 3.28Å; A224-A228 PolarHBondContact O-N 2.78Å; A224-M230 HydrophobicContact CB-CE 4.35Å; A224-A251 HydrophobicContact CB-CB 4.27Å
225	A	98.7	Very high	98.4	Very high	3 Å²	3	13.8 Å²	13.8	3%	0.025	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-12.4	176.5	0	0	0	0	0	113.3	A162 M166 V176 A221 T222 P223 Y227	A162-A225 HydrophobicContact CB-CB 3.57Å; M166-A225 HydrophobicContact CE-CB 3.39Å; V176-A225 HydrophobicContact CG1-CB 3.91Å; A221-A225 PolarHBondContact O-N 3.03Å; T222-A225 PolarHBondContact O-N 2.94Å; P223-A225 VanDerWaalsContact C-N 3.3Å; P223-A225 PolarHBondContact O-N 2.94Å; A225-Y227 VanDerWaalsContact C-N 3.3Å
226	A	98.6	Very high	98.4	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-20.8	172.6	0	0	0	0	0	112.9	M166 S198 I200 I212 P223 A224	M166-A226 HydrophobicContact CE-CB 4.21Å; M166-A226 VanDerWaalsContact CE-N 3.34Å; M166-A226 VanDerWaalsContact SD-CA 3.54Å; M166-A226 HydrophobicContact SD-CB 3.58Å; M166-A226 VanDerWaalsContact SD-CB 3.58Å; S198-A226 WeakPolarHBondContact CB-O 3.19Å; S198-A226 PolarHBondContact OG-O 2.74Å; I200-A226 HydrophobicContact CB-CB 4.41Å; I200-A226 HydrophobicContact CG1-CB 4.28Å; I212-A226 HydrophobicContact CD1-CB 3.56Å; I212-A226 HydrophobicContact CG1-CB 4.07Å; P223-A226 WeakPolarHBondContact O-CB 3.31Å; P223-A226 PolarHBondContact O-N 2.94Å; P223-A226 VanDerWaalsContact O-N 3.11Å; A224-A226 PolarHBondContact O-N 2.9Å
227	Y	98.5	Very high	98.3	Very high	7 Å²	7	14.7 Å²	14.7	3%	0.027	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-145.4	-20.1	-172.5	64.4	-99.5	0	0	0	116	I212 V218 T219 P223 A224 A225 A251 Q254 L255 N258 A259	I212-Y227 HydrophobicContact CD1-CD1 3.95Å; V218-Y227 PolarHBondContact O-OH 2.88Å; V218-Y227 VanDerWaalsContact O-OH 3.08Å; T219-Y227 WeakPolarHBondContact CA-OH 3.43Å; P223-Y227 WeakPolarHBondContact O-CE1 3.5Å; A224-Y227 HydrophobicContact CB-CE1 4.5Å; A224-Y227 PolarHBondContact O-N 3.02Å; A225-Y227 VanDerWaalsContact C-N 3.3Å; Y227-A251 VanDerWaalsContact CE2-O 3.27Å; Y227-A251 WeakPolarHBondContact CE2-O 3.35Å; Y227-Q254 HydrophobicContact CD2-CB 4.34Å; Y227-Q254 HydrophobicContact CE2-CB 4.42Å; Y227-L255 HydrophobicContact CD2-CB 4.21Å; Y227-L255 HydrophobicContact CE1-CD1 4.19Å; Y227-L255 HydrophobicContact CE1-CG 4.48Å; Y227-L255 HydrophobicContact CE2-CB 3.68Å; Y227-L255 HydrophobicContact CE2-CG 4.41Å; Y227-N258 WeakPolarHBondContact O-CB 3.49Å; Y227-N258 PolarHBondContact O-ND2 2.79Å; Y227-A259 HydrophobicContact CD1-CB 4.4Å; Y227-A259 HydrophobicContact CD2-CB 4.46Å; Y227-A259 HydrophobicContact CG-CB 3.95Å
228	A	98.4	Very high	98.2	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.092	C	C	.	.			trans	-105.2	149.5	-174.1	0	0	0	0	0	111.9	V176 G177 A224 M230 Q254	V176-A228 HydrophobicContact CG1-CB 4.45Å; G177-A228 WeakPolarHBondContact CA-O 3.33Å; A224-A228 HydrophobicContact CB-CB 4.36Å; A224-A228 WeakPolarHBondContact O-CB 3.28Å; A224-A228 PolarHBondContact O-N 2.78Å; A228-M230 HydrophobicContact CB-CE 4.39Å; A228-M230 HydrophobicContact CB-CG 4.26Å; A228-M230 HydrophobicContact CB-SD 4.48Å; A228-Q254 VanDerWaalsContact CA-OE1 3.28Å; A228-Q254 HydrophobicContact CB-CB 4.04Å
229	N	98.1	Very high	98	Very high	28 Å²	28	19.6 Å²	19.6	15%	0.15	10%	0.095	C	C	.	.			trans	-121.2	108.3	169.3	-46.6	115	0	0	0	107.9	V176 G177 I178 L190 R195 A196 Q254	V176-N229 CarbonylContact O-C 3.52Å; V176-N229 WeakPolarHBondContact O-CA 3.44Å; G177-N229 PolarHBondContact O-ND2 2.88Å; I178-N229 HydrophobicContact CG2-CB 4.48Å; L190-N229 HydrophobicContact CD1-CB 4.18Å; R195-N229 HydrophobicContact CB-CB 4.41Å; R195-N229 HydrophobicContact CG-CB 4.05Å; A196-N229 PolarHBondContact O-ND2 2.83Å; N229-Q254 PolarHBondContact O-NE2 2.66Å
230	M	97.6	Very high	97.9	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.01	11%	0.111	C	C	.	.	B	Isolated β-bridge	trans	-138.3	139.3	-174.8	-57.4	-175.8	-61.1	0	0	111.5	V176 A224 A228 H232 W235 A251	V176-M230 HydrophobicContact CB-CB 4.4Å; V176-M230 HydrophobicContact CB-CE 3.95Å; V176-M230 HydrophobicContact CG1-CE 4.08Å; V176-M230 HydrophobicContact CG2-CE 4.05Å; V176-M230 PolarHBondContact N-O 3.36Å; V176-M230 PolarHBondContact O-N 2.92Å; A224-M230 HydrophobicContact CB-CE 4.35Å; A228-M230 HydrophobicContact CB-CE 4.39Å; A228-M230 HydrophobicContact CB-CG 4.26Å; A228-M230 HydrophobicContact CB-SD 4.48Å; M230-H232 PolarHBondContact O-N 3.06Å; M230-W235 HydrophobicContact CB-CE3 4.35Å; M230-W235 HydrophobicContact SD-CB 4Å; M230-A251 HydrophobicContact CE-CB 3.7Å; M230-A251 HydrophobicContact SD-CB 3.69Å; M230-A251 PolarHBondContact SD-N 2.63Å
231	L	97.2	Very high	97.7	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.01	13%	0.131	C	C	.	.	S	Bend	trans	-81.6	1.1	177.2	-70.9	161	0	0	0	113.2	I178 V182 C184 C185 K186 L190 W235	I178-L231 HydrophobicContact CD1-CD2 3.49Å; I178-L231 VanDerWaalsContact CD1-CD2 3.49Å; I178-L231 HydrophobicContact CD1-CG 4.49Å; V182-L231 HydrophobicContact CB-CD2 4.29Å; V182-L231 HydrophobicContact CG1-CD2 3.5Å; C184-L231 PolarHBondContact SG-O 2.77Å; C185-L231 WeakPolarHBondContact CA-O 3.22Å; K186-L231 VanDerWaalsContact O-CD1 3.26Å; K186-L231 WeakPolarHBondContact O-CD1 3.49Å; L190-L231 HydrophobicContact CD2-CD1 4.02Å; L190-L231 HydrophobicContact CD2-CD2 4.16Å; L190-L231 HydrophobicContact CD2-CG 4.2Å; L190-L231 HydrophobicContact CG-CD1 4.41Å; L231-W235 HydrophobicContact CB-CH2 3.76Å; L231-W235 HydrophobicContact CB-CZ3 3.79Å
232	H	98	Very high	97.6	Very high	29 Å²	29	26.1 Å²	26.1	13%	0.134	14%	0.138	C	C	.	.	S	Bend	trans	-153.5	131.7	168.3	-160.3	-95.8	0	0	0	110.3	K174 M230 D234 W235	K174-H232 CarbonylContact O-C 3.19Å; K174-H232 VanDerWaalsContact O-CA 3.27Å; K174-H232 WeakPolarHBondContact O-CA 3.4Å; M230-H232 PolarHBondContact O-N 3.06Å; H232-D234 VanDerWaalsContact C-N 3.27Å; H232-D234 IonicContact CE1-OD2 2.71Å; H232-D234 PolarHBondContact CE1-OD2 3.39Å; H232-D234 WeakPolarHBondContact ND1-CB 3.42Å; H232-D234 PolarHBondContact ND1-N 2.6Å; H232-D234 IonicContact ND1-OD2 2.65Å; H232-D234 PolarHBondContact O-N 2.9Å; H232-W235 HydrophobicContact CB-CD2 3.74Å; H232-W235 HydrophobicContact CB-CE3 4.41Å; H232-W235 HydrophobicContact CB-CG 4Å; H232-W235 HydrophobicContact CB-CH2 4.43Å; H232-W235 HydrophobicContact CB-CZ2 3.77Å; H232-W235 WeakPolarHBondContact O-CB 3.19Å; H232-W235 PolarHBondContact O-N 3.11Å
233	R	98.2	Very high	97.4	Very high	30 Å²	30	32.8 Å²	32.8	11%	0.113	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-29.8	-177.7	64.1	-175.9	-79.6	161.7	-2.5	113.7	D157 S158 K174 V176 A221 W235	D157-R233 VanDerWaalsContact CB-NH1 3.27Å; D157-R233 WeakPolarHBondContact OD2-CD 3.34Å; D157-R233 IonicContact OD2-CZ 2.78Å; D157-R233 IonicContact OD2-NE 3.01Å; D157-R233 IonicContact OD2-NH1 2.8Å; D157-R233 PolarHBondContact OD2-NH1 2.84Å; S158-R233 VanDerWaalsContact N-NH1 3.11Å; S158-R233 PolarHBondContact OG-NH1 2.94Å; S158-R233 PolarHBondContact OG-NH2 3Å; K174-R233 PolarHBondContact O-N 2.93Å; V176-R233 HydrophobicContact CG2-CB 3.65Å; A221-R233 HydrophobicContact CB-CB 3.99Å; R233-W235 PolarHBondContact O-N 2.99Å
234	D	97.6	Very high	97.1	Very high	105 Å²	105	40.4 Å²	40.4	56%	0.561	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.9	2.9	-179.5	-55.6	-16	0	0	0	113.6	H232 E236	H232-D234 VanDerWaalsContact C-N 3.27Å; H232-D234 IonicContact CE1-OD2 2.71Å; H232-D234 PolarHBondContact CE1-OD2 3.39Å; H232-D234 WeakPolarHBondContact ND1-CB 3.42Å; H232-D234 PolarHBondContact ND1-N 2.6Å; H232-D234 IonicContact ND1-OD2 2.65Å; H232-D234 PolarHBondContact O-N 2.9Å; D234-E236 PolarHBondContact O-N 2.97Å
235	W	97.9	Very high	96.9	Very high	25 Å²	25	43.3 Å²	43.3	10%	0.095	24%	0.235	C	C	.	.			trans	-79.3	52.2	173.3	-62.3	-10.7	0	0	0	111.4	C187 M230 L231 H232 R233 K238 A239 P240 C248 D250 A251	C187-W235 HydrophobicContact CB-CH2 4.16Å; M230-W235 HydrophobicContact CB-CE3 4.35Å; M230-W235 HydrophobicContact SD-CB 4Å; L231-W235 HydrophobicContact CB-CH2 3.76Å; L231-W235 HydrophobicContact CB-CZ3 3.79Å; H232-W235 HydrophobicContact CB-CD2 3.74Å; H232-W235 HydrophobicContact CB-CE3 4.41Å; H232-W235 HydrophobicContact CB-CG 4Å; H232-W235 HydrophobicContact CB-CH2 4.43Å; H232-W235 HydrophobicContact CB-CZ2 3.77Å; H232-W235 WeakPolarHBondContact O-CB 3.19Å; H232-W235 PolarHBondContact O-N 3.11Å; R233-W235 PolarHBondContact O-N 2.99Å; W235-K238 WeakPolarHBondContact CA-O 3.46Å; W235-A239 HydrophobicContact CB-CB 4.11Å; W235-A239 HydrophobicContact CD2-CB 4.13Å; W235-A239 HydrophobicContact CE3-CB 4.14Å; W235-A239 HydrophobicContact CG-CB 4.12Å; W235-P240 HydrophobicContact CH2-CG 4.04Å; W235-P240 VanDerWaalsContact CZ2-CD 3.48Å; W235-P240 HydrophobicContact CZ2-CG 3.43Å; W235-P240 VanDerWaalsContact CZ2-CG 3.43Å; W235-C248 HydrophobicContact CE3-CB 4.19Å; W235-C248 HydrophobicContact CZ3-CB 3.84Å; W235-D250 CarbonylContact O-C 3.56Å; W235-D250 WeakPolarHBondContact O-CA 3.47Å; W235-D250 VanDerWaalsContact O-CB 3.27Å; W235-D250 WeakPolarHBondContact O-CB 3.39Å; W235-A251 PolarHBondContact O-N 3.27Å
236	E	98.3	Very high	96.8	Very high	14 Å²	14	46.3 Å²	46.3	7%	0.065	25%	0.247	C	C	.	.	S	Bend	trans	-71.5	-48.7	-174.6	-63.8	-166.2	-118.3	0	0	112.2	R217 T219 H220 D234 A251 A252 E272	R217-E236 IonicContact CZ-OE1 2.77Å; R217-E236 VanDerWaalsContact CZ-OE1 3.26Å; R217-E236 IonicContact CZ-OE2 3.01Å; R217-E236 VanDerWaalsContact NE-CD 3.33Å; R217-E236 IonicContact NE-OE1 2.81Å; R217-E236 PolarHBondContact NE-OE1 2.76Å; R217-E236 IonicContact NE-OE2 3.23Å; R217-E236 PolarHBondContact NE-OE2 3.31Å; R217-E236 IonicContact NH2-OE1 3.71Å; R217-E236 PolarHBondContact NH2-OE1 3.3Å; R217-E236 IonicContact NH2-OE2 3.47Å; T219-E236 VanDerWaalsContact C-OE2 3.23Å; T219-E236 WeakPolarHBondContact CB-OE2 3.35Å; T219-E236 WeakPolarHBondContact O-CG 3.33Å; T219-E236 PolarHBondContact OG1-OE2 2.98Å; H220-E236 PolarHBondContact N-OE2 3.21Å; D234-E236 PolarHBondContact O-N 2.97Å; E236-A251 PolarHBondContact O-N 3.32Å; E236-A252 WeakPolarHBondContact O-CB 3.45Å; E236-A252 PolarHBondContact O-N 2.94Å; E236-E272 HydrophobicContact CB-CG 4.45Å
237	S	97.8	Very high	96.7	Very high	13 Å²	13	50.8 Å²	50.8	9%	0.091	27%	0.268	C	S	.	.	S	Bend	trans	-122.8	-10.1	-179.2	48.5	0	0	0	0	114.4	E272 R288	S237-E272 VanDerWaalsContact CB-O 3.27Å; S237-E272 WeakPolarHBondContact CB-O 3.33Å; S237-E272 WeakPolarHBondContact CB-OE2 3.35Å; S237-E272 PolarHBondContact OG-OE2 3.48Å; S237-R288 PolarHBondContact O-NH1 3.4Å
238	K	95.9	Very high	96.6	Very high	128 Å²	128	50.9 Å²	50.9	56%	0.557	27%	0.27	S	S	*	.			trans	-144.7	128.7	-179.6	-178.9	-178.2	-178.4	-178.9	0	110.3	W235 S289	W235-K238 WeakPolarHBondContact CA-O 3.46Å; K238-S289 WeakPolarHBondContact CD-OG 3.27Å
239	A	95.3	Very high	96.5	Very high	6 Å²	6	54.1 Å²	54.1	5%	0.05	29%	0.289	C	S	.	.			trans	-121.6	155.1	173.7	0	0	0	0	0	110.6	W235 H247 C248 D250	W235-A239 HydrophobicContact CB-CB 4.11Å; W235-A239 HydrophobicContact CD2-CB 4.13Å; W235-A239 HydrophobicContact CE3-CB 4.14Å; W235-A239 HydrophobicContact CG-CB 4.12Å; A239-H247 PolarHBondContact O-CE1 3.15Å; A239-C248 HydrophobicContact CB-CB 3.93Å; A239-C248 WeakPolarHBondContact CB-O 3.28Å; A239-D250 HydrophobicContact CB-CB 4.32Å
240	P	96.1	Very high	96.5	Very high	53 Å²	53	52.9 Å²	52.9	34%	0.344	28%	0.283	S	S	.	.			trans	-83.5	159.9	-179.6	28.5	-26.2	0	0	0	112.1	C187 W235 C248	C187-P240 HydrophobicContact CB-CG 4.04Å; C187-P240 WeakPolarHBondContact CB-O 3.45Å; C187-P240 PolarHBondContact SG-O 2.8Å; W235-P240 HydrophobicContact CH2-CG 4.04Å; W235-P240 VanDerWaalsContact CZ2-CD 3.48Å; W235-P240 HydrophobicContact CZ2-CG 3.43Å; W235-P240 VanDerWaalsContact CZ2-CG 3.43Å; P240-C248 PolarHBondContact O-N 2.9Å; P240-C248 VanDerWaalsContact O-N 3.13Å
241	S	95.6	Very high	96.5	Very high	72 Å²	72	52.8 Å²	52.8	50%	0.503	28%	0.282	S	S	.	.	B	Isolated β-bridge	trans	-91	155.2	161.3	-55.2	0	0	0	0	110.5	F246 H247	S241-F246 CarbonylContact C-O 3.48Å; S241-F246 VanDerWaalsContact CA-O 3.23Å; S241-F246 WeakPolarHBondContact CA-O 3.46Å; S241-H247 PolarHBondContact OG-ND1 3Å
242	N	94.9	Very high	96.6	Very high	31 Å²	31	52.7 Å²	52.7	17%	0.166	28%	0.282	C	S	.	.			trans	-94.1	175.1	171.9	75.6	12.4	0	0	0	112.3	C187 H244 G245 F246	C187-N242 HydrophobicContact CB-CB 4.28Å; C187-N242 VanDerWaalsContact O-CB 3.24Å; C187-N242 WeakPolarHBondContact O-CB 3.19Å; N242-H244 PolarHBondContact O-N 3.46Å; N242-H244 VanDerWaalsContact O-N 3.16Å; N242-H244 WeakPolarHBondContact OD1-CA 3.38Å; N242-H244 PolarHBondContact OD1-N 3.41Å; N242-G245 PolarHBondContact O-N 2.93Å; N242-G245 PolarHBondContact OD1-N 2.99Å; N242-F246 PolarHBondContact N-O 2.78Å; N242-F246 PolarHBondContact OD1-N 2.67Å
243	E	94.1	Very high	96.6	Very high	141 Å²	141	52.2 Å²	52.2	66%	0.659	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-15.7	-179.3	65.9	-139	176.4	0	0	114.7	K186	K186-E243 IonicContact NZ-OE1 3.74Å; K186-E243 PolarHBondContact NZ-OE1 2.78Å; K186-E243 IonicContact NZ-OE2 3.74Å; K186-E243 PolarHBondContact NZ-OE2 3.42Å
244	H	94.3	Very high	96.6	Very high	159 Å²	159	51.1 Å²	51.1	74%	0.736	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	5.4	176.5	-59.4	-61.8	0	0	0	112.9	N242 F246	N242-H244 PolarHBondContact O-N 3.46Å; N242-H244 VanDerWaalsContact O-N 3.16Å; N242-H244 WeakPolarHBondContact OD1-CA 3.38Å; N242-H244 PolarHBondContact OD1-N 3.41Å; H244-F246 VanDerWaalsContact C-N 3.32Å; H244-F246 PolarHBondContact O-N 3.01Å
245	G	94.7	Very high	96.6	Very high	61 Å²	61	46.1 Å²	46.1	63%	0.629	25%	0.251	S	S	*	.	S	Bend	trans	83.4	-0.1	178.7	0	0	0	0	0	115	N242 H247	N242-G245 PolarHBondContact O-N 2.93Å; N242-G245 PolarHBondContact OD1-N 2.99Å; G245-H247 PolarHBondContact O-N 3.3Å
246	F	96	Very high	96.6	Very high	66 Å²	66	45.3 Å²	45.3	29%	0.289	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-69.9	128.6	172.4	176.1	-94.7	0	0	0	109.8	E189 S241 N242 H244	E189-F246 HydrophobicContact CB-CD1 4.11Å; E189-F246 HydrophobicContact CB-CD2 3.98Å; E189-F246 HydrophobicContact CB-CE1 3.95Å; E189-F246 HydrophobicContact CB-CE2 3.82Å; E189-F246 HydrophobicContact CB-CG 4.13Å; E189-F246 HydrophobicContact CB-CZ 3.81Å; E189-F246 HydrophobicContact CG-CD2 4.15Å; E189-F246 HydrophobicContact CG-CE2 3.65Å; E189-F246 HydrophobicContact CG-CZ 3.87Å; S241-F246 CarbonylContact C-O 3.48Å; S241-F246 VanDerWaalsContact CA-O 3.23Å; S241-F246 WeakPolarHBondContact CA-O 3.46Å; N242-F246 PolarHBondContact N-O 2.78Å; N242-F246 PolarHBondContact OD1-N 2.67Å; H244-F246 VanDerWaalsContact C-N 3.32Å; H244-F246 PolarHBondContact O-N 3.01Å
247	H	96.1	Very high	96.4	Very high	94 Å²	94	48.2 Å²	48.2	44%	0.435	27%	0.27	S	S	.	.	B	Isolated β-bridge	trans	-102.6	119.2	178.8	-171.4	70.4	0	0	0	110.4	A239 S241 G245	A239-H247 PolarHBondContact O-CE1 3.15Å; S241-H247 PolarHBondContact OG-ND1 3Å; G245-H247 PolarHBondContact O-N 3.3Å
248	C	96.4	Very high	96.3	Very high	10 Å²	10	50.4 Å²	50.4	7%	0.068	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-68.8	150.8	173.3	-74.7	0	0	0	0	110.1	C187 W235 A239 P240	C187-C248 WeakPolarHBondContact CA-SG 3.28Å; C187-C248 HydrophobicContact CB-CB 3.96Å; C187-C248 WeakPolarHBondContact CB-SG 3.18Å; C187-C248 VanDerWaalsContact SG-CA 3.59Å; C187-C248 WeakPolarHBondContact SG-CB 3.38Å; C187-C248 PolarHBondContact SG-N 3.48Å; C187-C248 CovalentContact SG-SG 2.04Å; C187-C248 PolarHBondContact SG-SG 3.31Å; W235-C248 HydrophobicContact CE3-CB 4.19Å; W235-C248 HydrophobicContact CZ3-CB 3.84Å; A239-C248 HydrophobicContact CB-CB 3.93Å; A239-C248 WeakPolarHBondContact CB-O 3.28Å; P240-C248 PolarHBondContact O-N 2.9Å; P240-C248 VanDerWaalsContact O-N 3.13Å
249	T	96	Very high	96.3	Very high	67 Å²	67	44.4 Å²	44.4	41%	0.411	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-100.1	133.5	179.5	49.1	0	0	0	0	110.9	T253 Q254	T249-T253 HydrophobicContact CG2-CG2 4.45Å; T249-Q254 PolarHBondContact O-NE2 3.11Å; T249-Q254 PolarHBondContact OG1-NE2 3.39Å
250	D	97.7	Very high	96.3	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.011	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-74.8	162.4	178.1	64.9	90.5	0	0	0	112.9	W235 A239 A252 T253 Q254 R288 R292	W235-D250 CarbonylContact O-C 3.56Å; W235-D250 WeakPolarHBondContact O-CA 3.47Å; W235-D250 VanDerWaalsContact O-CB 3.27Å; W235-D250 WeakPolarHBondContact O-CB 3.39Å; A239-D250 HydrophobicContact CB-CB 4.32Å; D250-A252 PolarHBondContact O-N 2.85Å; D250-A252 WeakPolarHBondContact OD1-CB 3.14Å; D250-A252 PolarHBondContact OD1-N 2.8Å; D250-T253 PolarHBondContact O-N 3.04Å; D250-T253 PolarHBondContact OD1-N 2.84Å; D250-T253 PolarHBondContact OD1-OG1 3.02Å; D250-T253 WeakPolarHBondContact OD2-CB 3.3Å; D250-T253 PolarHBondContact OD2-OG1 2.81Å; D250-Q254 WeakPolarHBondContact O-CG 3.26Å; D250-Q254 PolarHBondContact O-N 2.74Å; D250-R288 IonicContact OD1-CZ 3.79Å; D250-R288 IonicContact OD1-NH1 2.69Å; D250-R288 PolarHBondContact OD1-NH1 3.02Å; D250-R288 IonicContact OD1-NH2 3.93Å; D250-R288 IonicContact OD2-CZ 2.65Å; D250-R288 IonicContact OD2-NH1 4Å; D250-R288 IonicContact OD2-NH2 3.87Å; D250-R288 PolarHBondContact OD2-NH2 2.91Å; D250-R292 IonicContact OD2-NH2 3.56Å
251	A	98.5	Very high	96.3	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-58.2	-44.5	-178.2	0	0	0	0	0	112.3	T219 A224 Y227 M230 W235 E236 T253 Q254 L255	T219-A251 HydrophobicContact CG2-CB 4.19Å; A224-A251 HydrophobicContact CB-CB 4.27Å; Y227-A251 VanDerWaalsContact CE2-O 3.27Å; Y227-A251 WeakPolarHBondContact CE2-O 3.35Å; M230-A251 HydrophobicContact CE-CB 3.7Å; M230-A251 HydrophobicContact SD-CB 3.69Å; M230-A251 PolarHBondContact SD-N 2.63Å; W235-A251 PolarHBondContact O-N 3.27Å; E236-A251 PolarHBondContact O-N 3.32Å; A251-T253 VanDerWaalsContact C-N 3.31Å; A251-T253 PolarHBondContact O-N 2.96Å; A251-Q254 CarbonylContact O-C 3.5Å; A251-Q254 PolarHBondContact O-N 2.07Å; A251-Q254 VanDerWaalsContact O-N 3.11Å; A251-L255 PolarHBondContact O-N 2.78Å
252	A	98.5	Very high	96.4	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-62.3	-40.1	-180	0	0	0	0	0	111.1	T219 E236 D250 L255 L256 E272 F273 L294	T219-A252 HydrophobicContact CG2-CB 3.9Å; E236-A252 WeakPolarHBondContact O-CB 3.45Å; E236-A252 PolarHBondContact O-N 2.94Å; D250-A252 PolarHBondContact O-N 2.85Å; D250-A252 WeakPolarHBondContact OD1-CB 3.14Å; D250-A252 PolarHBondContact OD1-N 2.8Å; A252-L255 PolarHBondContact O-N 2.76Å; A252-L256 WeakPolarHBondContact O-CD1 3.32Å; A252-E272 HydrophobicContact CB-CB 4.44Å; A252-E272 WeakPolarHBondContact CB-O 3.45Å; A252-F273 HydrophobicContact CB-CD1 3.89Å; A252-F273 HydrophobicContact CB-CE1 3.73Å; A252-F273 HydrophobicContact CB-CG 4.35Å; A252-F273 HydrophobicContact CB-CZ 4.05Å; A252-L294 HydrophobicContact CB-CD1 3.85Å
253	T	98.1	Very high	96.6	Very high	19 Å²	19	42.2 Å²	42.2	12%	0.117	23%	0.232	C	C	.	.	H	α-helix	trans	-63	-44.2	171.9	-63.3	0	0	0	0	111.5	T249 D250 A251 L255 L256 S257 R288 R292	T249-T253 HydrophobicContact CG2-CG2 4.45Å; D250-T253 PolarHBondContact O-N 3.04Å; D250-T253 PolarHBondContact OD1-N 2.84Å; D250-T253 PolarHBondContact OD1-OG1 3.02Å; D250-T253 WeakPolarHBondContact OD2-CB 3.3Å; D250-T253 PolarHBondContact OD2-OG1 2.81Å; A251-T253 VanDerWaalsContact C-N 3.31Å; A251-T253 PolarHBondContact O-N 2.96Å; T253-L255 VanDerWaalsContact C-N 3.31Å; T253-L255 PolarHBondContact O-N 3.29Å; T253-L256 WeakPolarHBondContact O-CB 3.36Å; T253-L256 PolarHBondContact O-N 2.85Å; T253-S257 PolarHBondContact O-N 3.28Å; T253-R288 PolarHBondContact OG1-NH2 3.2Å; T253-R292 PolarHBondContact OG1-NH2 3.35Å
254	Q	98.2	Very high	96.8	Very high	8 Å²	8	35.6 Å²	35.6	4%	0.037	20%	0.201	C	C	.	.	H	α-helix	trans	-68.3	-27.5	-179.4	-69.1	-168.4	53.5	0	0	113.3	Y227 A228 N229 T249 D250 A251 L256 S257 N258	Y227-Q254 HydrophobicContact CD2-CB 4.34Å; Y227-Q254 HydrophobicContact CE2-CB 4.42Å; A228-Q254 VanDerWaalsContact CA-OE1 3.28Å; A228-Q254 HydrophobicContact CB-CB 4.04Å; N229-Q254 PolarHBondContact O-NE2 2.66Å; T249-Q254 PolarHBondContact O-NE2 3.11Å; T249-Q254 PolarHBondContact OG1-NE2 3.39Å; D250-Q254 WeakPolarHBondContact O-CG 3.26Å; D250-Q254 PolarHBondContact O-N 2.74Å; A251-Q254 CarbonylContact O-C 3.5Å; A251-Q254 PolarHBondContact O-N 2.07Å; A251-Q254 VanDerWaalsContact O-N 3.11Å; Q254-L256 PolarHBondContact O-N 3.35Å; Q254-S257 WeakPolarHBondContact CA-OG 3.17Å; Q254-S257 PolarHBondContact O-N 2.81Å; Q254-S257 PolarHBondContact O-OG 2.76Å; Q254-N258 WeakPolarHBondContact O-CA 3.24Å; Q254-N258 VanDerWaalsContact O-CB 3.26Å; Q254-N258 WeakPolarHBondContact O-CB 3.41Å; Q254-N258 PolarHBondContact O-N 2.81Å; Q254-N258 PolarHBondContact OE1-ND2 3.36Å
255	L	98.4	Very high	97	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-59	-39.6	172	-170.7	153.9	0	0	0	110.8	V218 Y227 A251 A252 T253 A259 S260 I265 F273	V218-L255 HydrophobicContact CG2-CD1 3.92Å; Y227-L255 HydrophobicContact CD2-CB 4.21Å; Y227-L255 HydrophobicContact CE1-CD1 4.19Å; Y227-L255 HydrophobicContact CE1-CG 4.48Å; Y227-L255 HydrophobicContact CE2-CB 3.68Å; Y227-L255 HydrophobicContact CE2-CG 4.41Å; A251-L255 PolarHBondContact O-N 2.78Å; A252-L255 PolarHBondContact O-N 2.76Å; T253-L255 VanDerWaalsContact C-N 3.31Å; T253-L255 PolarHBondContact O-N 3.29Å; L255-A259 HydrophobicContact CG-CB 4.34Å; L255-A259 CarbonylContact O-C 3.57Å; L255-A259 VanDerWaalsContact O-C 3.28Å; L255-A259 VanDerWaalsContact O-CA 3.26Å; L255-A259 WeakPolarHBondContact O-CA 3.36Å; L255-A259 WeakPolarHBondContact O-CB 3.35Å; L255-A259 PolarHBondContact O-N 3.5Å; L255-S260 PolarHBondContact O-N 3.4Å; L255-I265 HydrophobicContact CD1-CD1 4.07Å; L255-I265 HydrophobicContact CD1-CG2 4.24Å; L255-I265 HydrophobicContact CD2-CD1 3.92Å; L255-I265 HydrophobicContact CG-CD1 3.89Å; L255-F273 HydrophobicContact CB-CE1 4.46Å; L255-F273 HydrophobicContact CD1-CE1 4.17Å; L255-F273 HydrophobicContact CD1-CZ 3.89Å; L255-F273 HydrophobicContact CD2-CE1 4.43Å
256	L	97	Very high	97.2	Very high	7 Å²	7	25.2 Å²	25.2	4%	0.037	14%	0.137	C	C	.	.	H	α-helix	trans	-73	-45.1	176.3	-83	68.8	0	0	0	112.4	A252 T253 Q254 S260 F273 L294 K297 W298 I301	A252-L256 WeakPolarHBondContact O-CD1 3.32Å; T253-L256 WeakPolarHBondContact O-CB 3.36Å; T253-L256 PolarHBondContact O-N 2.85Å; Q254-L256 PolarHBondContact O-N 3.35Å; L256-S260 VanDerWaalsContact O-CB 3.28Å; L256-S260 WeakPolarHBondContact O-CB 3.33Å; L256-F273 HydrophobicContact CD1-CD1 4.44Å; L256-F273 HydrophobicContact CD1-CE1 4.37Å; L256-L294 HydrophobicContact CD1-CB 4.04Å; L256-L294 HydrophobicContact CD1-CD1 4.44Å; L256-L294 HydrophobicContact CD2-CB 4Å; L256-L294 HydrophobicContact CD2-CD2 4.24Å; L256-L294 WeakPolarHBondContact CD2-O 3.38Å; L256-K297 HydrophobicContact CD2-CB 3.74Å; L256-K297 HydrophobicContact CD2-CD 3.83Å; L256-K297 HydrophobicContact CD2-CG 3.75Å; L256-W298 HydrophobicContact CD1-CB 4.33Å; L256-W298 HydrophobicContact CD2-CB 4.39Å; L256-W298 HydrophobicContact CG-CB 4.1Å; L256-I301 HydrophobicContact CB-CD1 4.29Å; L256-I301 HydrophobicContact CD2-CD1 4.33Å; L256-I301 HydrophobicContact CG-CD1 4.47Å
257	S	95	Very high	97.4	Very high	75 Å²	75	22.1 Å²	22.1	52%	0.524	12%	0.123	S	C	.	.	H	α-helix	trans	-75	-38.1	-174.3	62.1	0	0	0	0	112.8	T253 Q254	T253-S257 PolarHBondContact O-N 3.28Å; Q254-S257 WeakPolarHBondContact CA-OG 3.17Å; Q254-S257 PolarHBondContact O-N 2.81Å; Q254-S257 PolarHBondContact O-OG 2.76Å
258	N	96	Very high	97.5	Very high	60 Å²	60	17.6 Å²	17.6	32%	0.321	10%	0.102	S	C	.	.	H	α-helix	trans	-103	-41	-171.7	-55.5	-0.9	0	0	0	111.2	Y227 Q254	Y227-N258 WeakPolarHBondContact O-CB 3.49Å; Y227-N258 PolarHBondContact O-ND2 2.79Å; Q254-N258 WeakPolarHBondContact O-CA 3.24Å; Q254-N258 VanDerWaalsContact O-CB 3.26Å; Q254-N258 WeakPolarHBondContact O-CB 3.41Å; Q254-N258 PolarHBondContact O-N 2.81Å; Q254-N258 PolarHBondContact OE1-ND2 3.36Å
259	A	95.9	Very high	97.6	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.008	10%	0.099	C	C	.	.	S	Bend	trans	-98.6	12	-173.2	0	0	0	0	0	114.6	Y227 L255 H261 V262 I265	Y227-A259 HydrophobicContact CD1-CB 4.4Å; Y227-A259 HydrophobicContact CD2-CB 4.46Å; Y227-A259 HydrophobicContact CG-CB 3.95Å; L255-A259 HydrophobicContact CG-CB 4.34Å; L255-A259 CarbonylContact O-C 3.57Å; L255-A259 VanDerWaalsContact O-C 3.28Å; L255-A259 VanDerWaalsContact O-CA 3.26Å; L255-A259 WeakPolarHBondContact O-CA 3.36Å; L255-A259 WeakPolarHBondContact O-CB 3.35Å; L255-A259 PolarHBondContact O-N 3.5Å; A259-H261 PolarHBondContact O-N 2.8Å; A259-V262 HydrophobicContact CB-CB 4.34Å; A259-V262 HydrophobicContact CB-CG2 3.8Å; A259-V262 WeakPolarHBondContact O-CB 3.49Å; A259-V262 PolarHBondContact O-N 3.25Å; A259-I265 HydrophobicContact CB-CD1 4.08Å
260	S	94	Very high	97.7	Very high	13 Å²	13	14 Å²	14	9%	0.091	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-16.4	176.7	55.1	0	0	0	0	114	L255 L256 Q302 R307	L255-S260 PolarHBondContact O-N 3.4Å; L256-S260 VanDerWaalsContact O-CB 3.28Å; L256-S260 WeakPolarHBondContact O-CB 3.33Å; S260-Q302 PolarHBondContact O-NE2 2.81Å; S260-R307 PolarHBondContact O-NH1 2.87Å
261	H	96.2	Very high	97.7	Very high	85 Å²	85	14.1 Å²	14.1	39%	0.394	8%	0.08	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-4.7	175.3	-67.4	-102.3	0	0	0	114.1	S204 A259 R307	S204-H261 WeakPolarHBondContact OG-CB 3.38Å; S204-H261 PolarHBondContact OG-O 3.41Å; A259-H261 PolarHBondContact O-N 2.8Å; H261-R307 PolarHBondContact CE1-NH2 2.76Å; H261-R307 PolarHBondContact ND1-NH2 3.36Å
262	V	98.5	Very high	97.7	Very high	4 Å²	4	14.3 Å²	14.3	2%	0.024	8%	0.081	C	C	.	.			trans	-73.3	127.4	172.2	178.8	0	0	0	0	108.2	I200 M201 T210 I212 A259 I265	I200-V262 HydrophobicContact CG2-CG2 4.14Å; M201-V262 HydrophobicContact CE-CG2 3.52Å; T210-V262 WeakPolarHBondContact O-CG1 3.3Å; I212-V262 HydrophobicContact CD1-CG1 4.33Å; I212-V262 HydrophobicContact CG1-CG1 4.43Å; A259-V262 HydrophobicContact CB-CB 4.34Å; A259-V262 HydrophobicContact CB-CG2 3.8Å; A259-V262 WeakPolarHBondContact O-CB 3.49Å; A259-V262 PolarHBondContact O-N 3.25Å; V262-I265 HydrophobicContact CB-CD1 4.12Å; V262-I265 HydrophobicContact CB-CG1 4.18Å; V262-I265 HydrophobicContact CG1-CD1 4.14Å; V262-I265 HydrophobicContact CG1-CG1 3.68Å
263	N	98.8	Very high	97.7	Very high	15 Å²	15	14.3 Å²	14.3	8%	0.08	8%	0.081	C	C	.	.	S	Bend	trans	-74	-35.7	-172.2	-67.7	95.1	0	0	0	112.4	S209 T210 D327 Y328 V329 L361	S209-N263 WeakPolarHBondContact CA-OD1 3.11Å; S209-N263 WeakPolarHBondContact CB-OD1 3.48Å; S209-N263 PolarHBondContact OG-OD1 3.31Å; T210-N263 PolarHBondContact N-OD1 3.06Å; T210-N263 VanDerWaalsContact N-OD1 3.16Å; T210-N263 WeakPolarHBondContact O-CB 3.45Å; T210-N263 PolarHBondContact O-N 3.14Å; N263-D327 WeakPolarHBondContact CB-O 3.48Å; N263-D327 PolarHBondContact ND2-O 2.84Å; N263-Y328 CarbonylContact O-C 3.58Å; N263-Y328 WeakPolarHBondContact O-CA 3.26Å; N263-V329 PolarHBondContact O-N 2.9Å; N263-L361 HydrophobicContact CB-CD2 3.53Å
264	V	98.9	Very high	97.6	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.006	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	120.6	-176.3	-179.2	0	0	0	0	109.8	T210 G211 I212 M266 V329 A357 V360 L361	T210-V264 PolarHBondContact O-N 3.26Å; G211-V264 CarbonylContact C-O 3.48Å; G211-V264 WeakPolarHBondContact CA-O 3.39Å; I212-V264 PolarHBondContact N-O 3.02Å; V264-M266 HydrophobicContact CG1-CE 3.48Å; V264-M266 VanDerWaalsContact CG1-CE 3.48Å; V264-M266 HydrophobicContact CG1-CG 4.02Å; V264-M266 HydrophobicContact CG1-SD 4.23Å; V264-V329 HydrophobicContact CG1-CB 4.41Å; V264-V329 HydrophobicContact CG2-CB 4.47Å; V264-V329 HydrophobicContact CG2-CG2 4.43Å; V264-A357 HydrophobicContact CB-CB 4.4Å; V264-A357 HydrophobicContact CG1-CB 3.84Å; V264-V360 HydrophobicContact CG2-CB 3.69Å; V264-V360 HydrophobicContact CG2-CG1 3.62Å; V264-V360 HydrophobicContact CG2-CG2 4.27Å; V264-L361 HydrophobicContact CB-CD2 4.46Å; V264-L361 HydrophobicContact CG2-CD2 3.96Å; V264-L361 HydrophobicContact CG2-CG 4.19Å
265	I	98.9	Very high	97.5	Very high	3 Å²	3	13.1 Å²	13.1	2%	0.015	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	114.6	169.3	-57.4	176.2	0	0	0	107.4	I212 V218 L255 A259 V262 V329 L330 G331	I212-I265 HydrophobicContact CD1-CG1 4.49Å; I212-I265 CarbonylContact O-C 3.52Å; I212-I265 VanDerWaalsContact O-CA 3.29Å; I212-I265 WeakPolarHBondContact O-CA 3.4Å; V218-I265 HydrophobicContact CB-CG2 3.9Å; V218-I265 HydrophobicContact CG1-CG2 3.77Å; V218-I265 HydrophobicContact CG2-CG2 4.39Å; L255-I265 HydrophobicContact CD1-CD1 4.07Å; L255-I265 HydrophobicContact CD1-CG2 4.24Å; L255-I265 HydrophobicContact CD2-CD1 3.92Å; L255-I265 HydrophobicContact CG-CD1 3.89Å; A259-I265 HydrophobicContact CB-CD1 4.08Å; V262-I265 HydrophobicContact CB-CD1 4.12Å; V262-I265 HydrophobicContact CB-CG1 4.18Å; V262-I265 HydrophobicContact CG1-CD1 4.14Å; V262-I265 HydrophobicContact CG1-CG1 3.68Å; I265-V329 PolarHBondContact N-O 3.42Å; I265-L330 HydrophobicContact CB-CD1 4.05Å; I265-L330 HydrophobicContact CG2-CD1 4.06Å; I265-L330 CarbonylContact O-C 3.33Å; I265-L330 WeakPolarHBondContact O-CA 3.46Å; I265-G331 PolarHBondContact O-N 3.4Å
266	M	98.9	Very high	97.2	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	135.6	-178.6	-69.5	-172.6	-61.8	0	0	111.9	I212 V213 T214 V264 F318 V329 G331 F333 M353 A356 A357	I212-M266 PolarHBondContact O-N 3.43Å; V213-M266 CarbonylContact C-O 3.28Å; V213-M266 WeakPolarHBondContact CA-O 3.43Å; V213-M266 HydrophobicContact CG2-CB 4.44Å; V213-M266 HydrophobicContact CG2-CE 3.96Å; T214-M266 PolarHBondContact N-O 3.42Å; V264-M266 HydrophobicContact CG1-CE 3.48Å; V264-M266 VanDerWaalsContact CG1-CE 3.48Å; V264-M266 HydrophobicContact CG1-CG 4.02Å; V264-M266 HydrophobicContact CG1-SD 4.23Å; M266-F318 HydrophobicContact SD-CD2 4.44Å; M266-F318 HydrophobicContact SD-CE2 3.92Å; M266-V329 HydrophobicContact CG-CG1 4.14Å; M266-V329 HydrophobicContact SD-CG1 4.11Å; M266-G331 CarbonylContact C-O 3.6Å; M266-G331 VanDerWaalsContact CA-O 3.31Å; M266-G331 WeakPolarHBondContact CA-O 3.38Å; M266-F333 HydrophobicContact CB-CE2 4.12Å; M266-F333 HydrophobicContact CG-CE2 4.18Å; M266-F333 HydrophobicContact SD-CE2 4.26Å; M266-F333 HydrophobicContact SD-CZ 4.37Å; M266-M353 HydrophobicContact CB-CG 4.4Å; M266-M353 HydrophobicContact CB-SD 3.86Å; M266-M353 HydrophobicContact CE-CB 3.93Å; M266-M353 HydrophobicContact CE-CG 4.48Å; M266-M353 WeakPolarHBondContact CE-O 3.31Å; M266-A356 HydrophobicContact CE-CB 4.04Å; M266-A357 HydrophobicContact CE-CB 4.08Å
267	G	98.9	Very high	96.9	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.9	-144	175.6	0	0	0	0	0	111.2	T214 G331 L332 F333	T214-G267 WeakPolarHBondContact O-CA 3.12Å; G267-G331 PolarHBondContact N-O 3.14Å; G267-L332 CarbonylContact O-C 3.49Å; G267-L332 VanDerWaalsContact O-CA 3.31Å; G267-L332 WeakPolarHBondContact O-CA 3.2Å; G267-F333 PolarHBondContact O-N 2.67Å
268	G	98.7	Very high	96.5	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	-167.5	176.8	0	0	0	0	0	113.2	A216 R217 V218 L332 S336	A216-G268 PolarHBondContact O-N 3.41Å; R217-G268 WeakPolarHBondContact CA-O 3.34Å; V218-G268 PolarHBondContact N-O 3.12Å; G268-L332 WeakPolarHBondContact O-CD2 3.24Å; G268-S336 CarbonylContact C-O 3.57Å; G268-S336 WeakPolarHBondContact CA-O 3.33Å
269	G	98.4	Very high	95.9	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.113	C	C	.	.			trans	96.1	25.7	168.7	0	0	0	0	0	114.6	T271 E272 F273 A334 P335 S336	G269-T271 PolarHBondContact O-N 3.16Å; G269-T271 VanDerWaalsContact O-N 3.14Å; G269-E272 WeakPolarHBondContact O-CB 3.47Å; G269-E272 WeakPolarHBondContact O-CG 3.42Å; G269-E272 PolarHBondContact O-N 3.34Å; G269-F273 VanDerWaalsContact O-CD2 3.32Å; G269-F273 WeakPolarHBondContact O-CD2 3.46Å; G269-F273 WeakPolarHBondContact O-CE2 3.44Å; G269-A334 PolarHBondContact N-O 2.72Å; G269-P335 CarbonylContact C-O 3.29Å; G269-P335 WeakPolarHBondContact CA-O 3.47Å; G269-S336 PolarHBondContact N-O 3.41Å
270	A	98.3	Very high	95.4	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-51.7	-39.4	179.7	0	0	0	0	0	112.7	E272 F273 Y274 I281 F282 L332 A334 P335	A270-E272 PolarHBondContact O-N 3.46Å; A270-E272 VanDerWaalsContact O-N 3.09Å; A270-F273 PolarHBondContact O-N 3.17Å; A270-F273 VanDerWaalsContact O-N 3.11Å; A270-Y274 VanDerWaalsContact C-CE1 3.45Å; A270-Y274 HydrophobicContact CB-CE1 4.27Å; A270-Y274 WeakPolarHBondContact O-CD1 3.3Å; A270-Y274 WeakPolarHBondContact O-CE1 3.29Å; A270-I281 HydrophobicContact CB-CG2 4.14Å; A270-F282 HydrophobicContact CB-CD2 3.97Å; A270-F282 HydrophobicContact CB-CE2 3.69Å; A270-L332 HydrophobicContact CB-CB 4.01Å; A270-L332 HydrophobicContact CB-CD1 4.49Å; A270-A334 PolarHBondContact N-O 3.21Å; A270-P335 PolarHBondContact N-O 2.81Å
271	T	97.5	Very high	95.1	Very high	5 Å²	5	24 Å²	24	3%	0.031	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-63.7	-16.3	-178.1	58	0	0	0	0	114.2	G269 F273 M284 G286 K287 P335	G269-T271 PolarHBondContact O-N 3.16Å; G269-T271 VanDerWaalsContact O-N 3.14Å; T271-F273 PolarHBondContact O-N 2.77Å; T271-M284 HydrophobicContact CG2-CB 4.25Å; T271-G286 WeakPolarHBondContact O-CA 2.95Å; T271-K287 PolarHBondContact O-N 2.9Å; T271-K287 WeakPolarHBondContact OG1-CE 3.4Å; T271-P335 WeakPolarHBondContact CB-O 3.37Å; T271-P335 HydrophobicContact CG2-CB 3.75Å; T271-P335 WeakPolarHBondContact CG2-O 3.3Å; T271-P335 PolarHBondContact N-O 3.4Å; T271-P335 VanDerWaalsContact N-O 3.1Å; T271-P335 PolarHBondContact OG1-O 3.3Å
272	E	97.9	Very high	94.9	Very high	5 Å²	5	23.4 Å²	23.4	2%	0.023	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-75.8	-13.2	177.9	-53.2	-61.8	159.9	0	0	112.7	R217 T219 E236 S237 A252 G269 A270 K287 R288	R217-E272 WeakPolarHBondContact CD-OE1 3.19Å; R217-E272 IonicContact NE-OE1 3.16Å; T219-E272 HydrophobicContact CG2-CB 4.17Å; T219-E272 WeakPolarHBondContact OG1-CG 3.48Å; E236-E272 HydrophobicContact CB-CG 4.45Å; S237-E272 VanDerWaalsContact CB-O 3.27Å; S237-E272 WeakPolarHBondContact CB-O 3.33Å; S237-E272 WeakPolarHBondContact CB-OE2 3.35Å; S237-E272 PolarHBondContact OG-OE2 3.48Å; A252-E272 HydrophobicContact CB-CB 4.44Å; A252-E272 WeakPolarHBondContact CB-O 3.45Å; G269-E272 WeakPolarHBondContact O-CB 3.47Å; G269-E272 WeakPolarHBondContact O-CG 3.42Å; G269-E272 PolarHBondContact O-N 3.34Å; A270-E272 PolarHBondContact O-N 3.46Å; A270-E272 VanDerWaalsContact O-N 3.09Å; E272-K287 WeakPolarHBondContact OE1-CD 3.2Å; E272-K287 WeakPolarHBondContact OE1-CE 3.5Å; E272-K287 IonicContact OE1-NZ 3.8Å; E272-K287 PolarHBondContact OE1-NZ 3.48Å; E272-R288 WeakPolarHBondContact O-CD 3.14Å; E272-R288 WeakPolarHBondContact O-CG 3.34Å; E272-R288 PolarHBondContact O-NH1 3.4Å
273	F	98.1	Very high	94.7	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-103.7	-5.2	-171.2	-66	-92.9	0	0	0	114.8	V218 T219 A252 L255 L256 G269 A270 T271 R288 L294 L295 L332	V218-F273 HydrophobicContact CG2-CE2 3.92Å; V218-F273 HydrophobicContact CG2-CZ 3.81Å; T219-F273 HydrophobicContact CG2-CE2 3.93Å; T219-F273 HydrophobicContact CG2-CZ 3.71Å; A252-F273 HydrophobicContact CB-CD1 3.89Å; A252-F273 HydrophobicContact CB-CE1 3.73Å; A252-F273 HydrophobicContact CB-CG 4.35Å; A252-F273 HydrophobicContact CB-CZ 4.05Å; L255-F273 HydrophobicContact CB-CE1 4.46Å; L255-F273 HydrophobicContact CD1-CE1 4.17Å; L255-F273 HydrophobicContact CD1-CZ 3.89Å; L255-F273 HydrophobicContact CD2-CE1 4.43Å; L256-F273 HydrophobicContact CD1-CD1 4.44Å; L256-F273 HydrophobicContact CD1-CE1 4.37Å; G269-F273 VanDerWaalsContact O-CD2 3.32Å; G269-F273 WeakPolarHBondContact O-CD2 3.46Å; G269-F273 WeakPolarHBondContact O-CE2 3.44Å; A270-F273 PolarHBondContact O-N 3.17Å; A270-F273 VanDerWaalsContact O-N 3.11Å; T271-F273 PolarHBondContact O-N 2.77Å; F273-R288 WeakPolarHBondContact O-CD 3.2Å; F273-L294 HydrophobicContact CB-CB 4.24Å; F273-L294 HydrophobicContact CD1-CB 4.02Å; F273-L294 HydrophobicContact CD1-CD1 4.39Å; F273-L294 WeakPolarHBondContact O-CB 3.27Å; F273-L294 PolarHBondContact O-N 3.2Å; F273-L295 HydrophobicContact CB-CD1 4.22Å; F273-L295 HydrophobicContact CB-CD2 3.57Å; F273-L295 HydrophobicContact CB-CG 3.63Å; F273-L295 HydrophobicContact CD1-CD2 3.99Å; F273-L295 HydrophobicContact CD2-CD2 4.35Å; F273-L295 HydrophobicContact CG-CD2 3.71Å; F273-L295 HydrophobicContact CG-CG 4.33Å; F273-L332 HydrophobicContact CD2-CD1 3.67Å; F273-L332 HydrophobicContact CE2-CD1 3.8Å; F273-L332 HydrophobicContact CE2-CD2 4.31Å; F273-L332 HydrophobicContact CG-CD1 4.28Å
274	Y	97	Very high	94.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.196	C	C	.	.	S	Bend	trans	-140.4	164.1	179.1	56.4	-91.4	0	0	0	112.4	A270 D278 I281 M284 G286 K287 R288 R292 L295	A270-Y274 VanDerWaalsContact C-CE1 3.45Å; A270-Y274 HydrophobicContact CB-CE1 4.27Å; A270-Y274 WeakPolarHBondContact O-CD1 3.3Å; A270-Y274 WeakPolarHBondContact O-CE1 3.29Å; Y274-D278 HydrophobicContact CD2-CB 3.92Å; Y274-D278 VanDerWaalsContact CD2-O 3.23Å; Y274-D278 WeakPolarHBondContact CD2-O 3.37Å; Y274-D278 WeakPolarHBondContact CE2-O 3.31Å; Y274-D278 HydrophobicContact CG-CB 4.44Å; Y274-I281 HydrophobicContact CD1-CD1 4.19Å; Y274-I281 HydrophobicContact CE1-CB 4.08Å; Y274-I281 HydrophobicContact CE1-CD1 4.05Å; Y274-I281 PolarHBondContact OH-O 2.89Å; Y274-M284 VanDerWaalsContact CE2-O 3.26Å; Y274-M284 WeakPolarHBondContact CE2-O 3.41Å; Y274-M284 PolarHBondContact OH-O 3.44Å; Y274-M284 VanDerWaalsContact OH-O 3.11Å; Y274-G286 CarbonylContact O-C 3.52Å; Y274-G286 VanDerWaalsContact O-C 3.29Å; Y274-G286 WeakPolarHBondContact O-CA 3.39Å; Y274-K287 PolarHBondContact O-N 2.94Å; Y274-K287 VanDerWaalsContact O-N 3.16Å; Y274-R288 WeakPolarHBondContact O-CB 3.37Å; Y274-R288 WeakPolarHBondContact O-CG 3.45Å; Y274-R288 PolarHBondContact O-N 3.27Å; Y274-R292 WeakPolarHBondContact CA-O 3.46Å; Y274-L295 HydrophobicContact CD1-CD1 4.19Å
275	G	95.2	Very high	94.3	Very high	2 Å²	2	41.1 Å²	41.1	2%	0.021	23%	0.228	C	C	.	.			trans	-84.2	169.2	-178.1	0	0	0	0	0	113.6	S277 D278 G286 R288	G275-S277 PolarHBondContact O-N 3.28Å; G275-D278 PolarHBondContact O-N 2.87Å; G275-D278 VanDerWaalsContact O-N 3.09Å; G275-G286 WeakPolarHBondContact O-CA 3.28Å; G275-G286 PolarHBondContact O-N 3.28Å; G275-R288 WeakPolarHBondContact CA-O 3.37Å
276	P	92.6	Very high	94.1	Very high	69 Å²	69	41.4 Å²	41.4	45%	0.448	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-13.4	-177.1	27.7	-36.8	0	0	0	114.6	K285 G286 R288	P276-K285 HydrophobicContact CB-CB 4.46Å; P276-G286 WeakPolarHBondContact CA-O 3.32Å; P276-R288 WeakPolarHBondContact CD-O 3.17Å
277	S	90.3	Very high	94	Very high	101 Å²	101	46 Å²	46	71%	0.706	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-16.9	173.7	52.2	0	0	0	0	113.4	G275	G275-S277 PolarHBondContact O-N 3.28Å
278	D	87.7	Confident	93.8	Very high	26 Å²	26	46.1 Å²	46.1	14%	0.139	25%	0.251	C	S	.	.			trans	-100.1	122.1	175.3	-168.4	-20.7	0	0	0	108.6	Y274 G275 T280 N293	Y274-D278 HydrophobicContact CD2-CB 3.92Å; Y274-D278 VanDerWaalsContact CD2-O 3.23Å; Y274-D278 WeakPolarHBondContact CD2-O 3.37Å; Y274-D278 WeakPolarHBondContact CE2-O 3.31Å; Y274-D278 HydrophobicContact CG-CB 4.44Å; G275-D278 PolarHBondContact O-N 2.87Å; G275-D278 VanDerWaalsContact O-N 3.09Å; D278-T280 WeakPolarHBondContact OD1-CB 3.13Å; D278-T280 VanDerWaalsContact OD1-CG2 3.31Å; D278-T280 WeakPolarHBondContact OD1-CG2 3.46Å; D278-T280 PolarHBondContact OD1-N 2.96Å; D278-T280 PolarHBondContact OD1-OG1 2.94Å; D278-N293 PolarHBondContact OD2-ND2 3.48Å
279	S	84	Confident	93.4	Very high	55 Å²	55	49.6 Å²	49.6	39%	0.385	28%	0.276	S	S	.	.			trans	-127.5	19.6	174.7	65.5	0	0	0	0	111.6	I281 N283	S279-I281 PolarHBondContact O-N 3.21Å; S279-N283 VanDerWaalsContact O-CA 3.31Å; S279-N283 WeakPolarHBondContact O-CA 3.42Å
280	T	84.6	Confident	93	Very high	112 Å²	112	52.4 Å²	52.4	69%	0.687	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-24.4	-175.9	56.6	0	0	0	0	112.7	D278	D278-T280 WeakPolarHBondContact OD1-CB 3.13Å; D278-T280 VanDerWaalsContact OD1-CG2 3.31Å; D278-T280 WeakPolarHBondContact OD1-CG2 3.46Å; D278-T280 PolarHBondContact OD1-N 2.96Å; D278-T280 PolarHBondContact OD1-OG1 2.94Å
281	I	88.7	Confident	92.3	Very high	20 Å²	20	56.5 Å²	56.5	10%	0.103	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	125.9	-177.5	-57.3	165.9	0	0	0	108.9	A270 Y274 S279 N283 M284 L295 H313	A270-I281 HydrophobicContact CB-CG2 4.14Å; Y274-I281 HydrophobicContact CD1-CD1 4.19Å; Y274-I281 HydrophobicContact CE1-CB 4.08Å; Y274-I281 HydrophobicContact CE1-CD1 4.05Å; Y274-I281 PolarHBondContact OH-O 2.89Å; S279-I281 PolarHBondContact O-N 3.21Å; I281-N283 PolarHBondContact O-N 3.42Å; I281-M284 PolarHBondContact O-N 2.99Å; I281-L295 HydrophobicContact CD1-CD1 3.19Å; I281-H313 HydrophobicContact CG2-CB 4.32Å
282	F	91.9	Very high	92.1	Very high	74 Å²	74	60.4 Å²	60.4	33%	0.325	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.1	11.5	-175.8	-59.1	-70.1	0	0	0	116.4	A270 M284 H313 L332 F333 P335	A270-F282 HydrophobicContact CB-CD2 3.97Å; A270-F282 HydrophobicContact CB-CE2 3.69Å; F282-M284 HydrophobicContact CB-CG 4.32Å; F282-M284 PolarHBondContact O-N 3.13Å; F282-H313 WeakPolarHBondContact CE1-O 3.29Å; F282-H313 HydrophobicContact CE2-CB 4.5Å; F282-H313 HydrophobicContact CZ-CB 4.24Å; F282-H313 WeakPolarHBondContact CZ-O 3.09Å; F282-L332 WeakPolarHBondContact CE2-O 3.38Å; F282-L332 WeakPolarHBondContact CZ-O 3.45Å; F282-F333 VanDerWaalsContact CZ-C 3.42Å; F282-P335 HydrophobicContact CB-CG 3.75Å; F282-P335 HydrophobicContact CD1-CG 4.36Å; F282-P335 HydrophobicContact CD2-CB 4.45Å; F282-P335 HydrophobicContact CD2-CG 3.83Å; F282-P335 HydrophobicContact CG-CG 3.73Å
283	N	93.8	Very high	92	Very high	142 Å²	142	61.6 Å²	61.6	76%	0.759	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	32.2	-171.5	-164.8	33.9	0	0	0	113	S279 I281	S279-N283 VanDerWaalsContact O-CA 3.31Å; S279-N283 WeakPolarHBondContact O-CA 3.42Å; I281-N283 PolarHBondContact O-N 3.42Å
284	M	93.7	Very high	91.9	Very high	93 Å²	93	61.7 Å²	61.7	46%	0.458	34%	0.34	S	S	.	.			trans	-121.9	139.8	-178.8	-69.2	-163.4	75.2	0	0	111	T271 Y274 I281 F282 P335	T271-M284 HydrophobicContact CG2-CB 4.25Å; Y274-M284 VanDerWaalsContact CE2-O 3.26Å; Y274-M284 WeakPolarHBondContact CE2-O 3.41Å; Y274-M284 PolarHBondContact OH-O 3.44Å; Y274-M284 VanDerWaalsContact OH-O 3.11Å; I281-M284 PolarHBondContact O-N 2.99Å; F282-M284 HydrophobicContact CB-CG 4.32Å; F282-M284 PolarHBondContact O-N 3.13Å; M284-P335 HydrophobicContact CE-CB 4.41Å; M284-P335 HydrophobicContact CG-CB 4.48Å; M284-P335 HydrophobicContact CG-CG 4.28Å; M284-P335 HydrophobicContact SD-CB 3.37Å; M284-P335 WeakPolarHBondContact SD-CB 3.05Å; M284-P335 HydrophobicContact SD-CG 3.27Å; M284-P335 WeakPolarHBondContact SD-CG 3.44Å
285	K	94.2	Very high	91.9	Very high	157 Å²	157	61.8 Å²	61.8	68%	0.683	34%	0.341	S	S	*	.			trans	-65.5	137.7	175.6	-65	-174.6	-179.3	179.6	0	111	P276	P276-K285 HydrophobicContact CB-CB 4.46Å
286	G	95.8	Very high	92	Very high	8 Å²	8	67.7 Å²	67.7	8%	0.082	37%	0.368	C	S	.	.			trans	-73.9	162.9	173.9	0	0	0	0	0	113.4	T271 Y274 G275 P276	T271-G286 WeakPolarHBondContact O-CA 2.95Å; Y274-G286 CarbonylContact O-C 3.52Å; Y274-G286 VanDerWaalsContact O-C 3.29Å; Y274-G286 WeakPolarHBondContact O-CA 3.39Å; G275-G286 WeakPolarHBondContact O-CA 3.28Å; G275-G286 PolarHBondContact O-N 3.28Å; P276-G286 WeakPolarHBondContact CA-O 3.32Å
287	K	95.8	Very high	92.2	Very high	98 Å²	98	69.3 Å²	69.3	43%	0.426	37%	0.368	S	S	.	.			trans	-100.5	-9.9	-175.8	-67.1	175.7	-178.3	-179.6	0	113.9	T271 E272 Y274 S289	T271-K287 PolarHBondContact O-N 2.9Å; T271-K287 WeakPolarHBondContact OG1-CE 3.4Å; E272-K287 WeakPolarHBondContact OE1-CD 3.2Å; E272-K287 WeakPolarHBondContact OE1-CE 3.5Å; E272-K287 IonicContact OE1-NZ 3.8Å; E272-K287 PolarHBondContact OE1-NZ 3.48Å; Y274-K287 PolarHBondContact O-N 2.94Å; Y274-K287 VanDerWaalsContact O-N 3.16Å; K287-S289 PolarHBondContact O-N 3.42Å
288	R	95	Very high	92.5	Very high	1 Å²	1	64.7 Å²	64.7	0%	0.004	34%	0.335	C	S	.	.			trans	-68.5	128.7	-179.2	-61.7	-165.1	66.2	74.3	11.1	111.5	S237 D250 T253 E272 F273 Y274 G275 P276 D290 R292	S237-R288 PolarHBondContact O-NH1 3.4Å; D250-R288 IonicContact OD1-CZ 3.79Å; D250-R288 IonicContact OD1-NH1 2.69Å; D250-R288 PolarHBondContact OD1-NH1 3.02Å; D250-R288 IonicContact OD1-NH2 3.93Å; D250-R288 IonicContact OD2-CZ 2.65Å; D250-R288 IonicContact OD2-NH1 4Å; D250-R288 IonicContact OD2-NH2 3.87Å; D250-R288 PolarHBondContact OD2-NH2 2.91Å; T253-R288 PolarHBondContact OG1-NH2 3.2Å; E272-R288 WeakPolarHBondContact O-CD 3.14Å; E272-R288 WeakPolarHBondContact O-CG 3.34Å; E272-R288 PolarHBondContact O-NH1 3.4Å; F273-R288 WeakPolarHBondContact O-CD 3.2Å; Y274-R288 WeakPolarHBondContact O-CB 3.37Å; Y274-R288 WeakPolarHBondContact O-CG 3.45Å; Y274-R288 PolarHBondContact O-N 3.27Å; G275-R288 WeakPolarHBondContact CA-O 3.37Å; P276-R288 WeakPolarHBondContact CD-O 3.17Å; R288-D290 IonicContact CZ-OD1 3.74Å; R288-D290 IonicContact CZ-OD2 2.65Å; R288-D290 IonicContact NE-OD1 3.88Å; R288-D290 PolarHBondContact NE-OD1 2.91Å; R288-D290 IonicContact NE-OD2 3.39Å; R288-D290 IonicContact NH2-OD1 2.77Å; R288-D290 IonicContact NH2-OD2 3.39Å; R288-D290 PolarHBondContact NH2-OD2 3.16Å; R288-R292 WeakPolarHBondContact CD-O 3.47Å
289	S	90.1	Very high	93	Very high	74 Å²	74	69.1 Å²	69.1	52%	0.517	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-16.9	177	56.9	0	0	0	0	114.3	K238 K287 S291	K238-S289 WeakPolarHBondContact CD-OG 3.27Å; K287-S289 PolarHBondContact O-N 3.42Å; S289-S291 VanDerWaalsContact C-N 3.32Å
290	D	91.3	Very high	93.7	Very high	59 Å²	59	69.2 Å²	69.2	32%	0.316	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	8.3	-175.7	60.9	14.9	0	0	0	113.9	R288 R292	R288-D290 IonicContact CZ-OD1 3.74Å; R288-D290 IonicContact CZ-OD2 2.65Å; R288-D290 IonicContact NE-OD1 3.88Å; R288-D290 PolarHBondContact NE-OD1 2.91Å; R288-D290 IonicContact NE-OD2 3.39Å; R288-D290 IonicContact NH2-OD1 2.77Å; R288-D290 IonicContact NH2-OD2 3.39Å; R288-D290 PolarHBondContact NH2-OD2 3.16Å; D290-R292 HydrophobicContact CB-CG 4.4Å; D290-R292 VanDerWaalsContact CG-NE 3.29Å; D290-R292 PolarHBondContact O-N 2.65Å; D290-R292 WeakPolarHBondContact OD1-CB 3.14Å; D290-R292 PolarHBondContact OD1-N 2.86Å; D290-R292 VanDerWaalsContact OD1-N 3.16Å; D290-R292 IonicContact OD1-NE 3.72Å; D290-R292 IonicContact OD2-CZ 3.86Å; D290-R292 IonicContact OD2-NE 3.78Å; D290-R292 PolarHBondContact OD2-NE 3.11Å; D290-R292 IonicContact OD2-NH2 3.51Å; D290-R292 PolarHBondContact OD2-NH2 3.34Å
291	S	83.6	Confident	94.3	Very high	85 Å²	85	66 Å²	66	59%	0.594	34%	0.335	S	S	*	.			trans	55.4	12.1	-179	-54.1	0	0	0	0	115.2	S289	S289-S291 VanDerWaalsContact C-N 3.32Å
292	R	92.5	Very high	94.7	Very high	88 Å²	88	65 Å²	65	33%	0.332	33%	0.33	S	S	.	.			trans	-75.2	142.3	175.8	-64	-171.2	-70.4	156.3	-0	109.7	D250 T253 Y274 R288 D290 L294	D250-R292 IonicContact OD2-NH2 3.56Å; T253-R292 PolarHBondContact OG1-NH2 3.35Å; Y274-R292 WeakPolarHBondContact CA-O 3.46Å; R288-R292 WeakPolarHBondContact CD-O 3.47Å; D290-R292 HydrophobicContact CB-CG 4.4Å; D290-R292 VanDerWaalsContact CG-NE 3.29Å; D290-R292 PolarHBondContact O-N 2.65Å; D290-R292 WeakPolarHBondContact OD1-CB 3.14Å; D290-R292 PolarHBondContact OD1-N 2.86Å; D290-R292 VanDerWaalsContact OD1-N 3.16Å; D290-R292 IonicContact OD1-NE 3.72Å; D290-R292 IonicContact OD2-CZ 3.86Å; D290-R292 IonicContact OD2-NE 3.78Å; D290-R292 PolarHBondContact OD2-NE 3.11Å; D290-R292 IonicContact OD2-NH2 3.51Å; D290-R292 PolarHBondContact OD2-NH2 3.34Å; R292-L294 HydrophobicContact CB-CD2 4.14Å
293	N	95.8	Very high	95	Very high	30 Å²	30	65.5 Å²	65.5	16%	0.16	34%	0.339	C	S	.	.			trans	-101.8	104	161.7	-176.4	-39.9	0	0	0	108.4	D278 L295 H296 K297	D278-N293 PolarHBondContact OD2-ND2 3.48Å; N293-L295 VanDerWaalsContact C-N 3.32Å; N293-L295 WeakPolarHBondContact OD1-CA 3.42Å; N293-L295 WeakPolarHBondContact OD1-CB 3.43Å; N293-L295 PolarHBondContact OD1-N 2.91Å; N293-H296 PolarHBondContact OD1-N 3.17Å; N293-K297 PolarHBondContact O-N 2.8Å
294	L	97.3	Very high	95.2	Very high	1 Å²	1	68 Å²	68	1%	0.005	34%	0.343	C	S	.	.	H	α-helix	trans	-75.4	-20.2	-179.4	-61.4	-170.8	0	0	0	112.6	A252 L256 F273 R292 K297 W298	A252-L294 HydrophobicContact CB-CD1 3.85Å; L256-L294 HydrophobicContact CD1-CB 4.04Å; L256-L294 HydrophobicContact CD1-CD1 4.44Å; L256-L294 HydrophobicContact CD2-CB 4Å; L256-L294 HydrophobicContact CD2-CD2 4.24Å; L256-L294 WeakPolarHBondContact CD2-O 3.38Å; F273-L294 HydrophobicContact CB-CB 4.24Å; F273-L294 HydrophobicContact CD1-CB 4.02Å; F273-L294 HydrophobicContact CD1-CD1 4.39Å; F273-L294 WeakPolarHBondContact O-CB 3.27Å; F273-L294 PolarHBondContact O-N 3.2Å; R292-L294 HydrophobicContact CB-CD2 4.14Å; L294-K297 PolarHBondContact O-N 3.14Å; L294-W298 WeakPolarHBondContact O-CB 3.43Å; L294-W298 PolarHBondContact O-N 2.71Å
295	L	97.2	Very high	95.4	Very high	2 Å²	2	67.3 Å²	67.3	1%	0.01	34%	0.34	C	S	.	.	H	α-helix	trans	-69.3	-43.1	177.6	-56.8	176.5	0	0	0	111	F273 Y274 I281 N293 K297 W298 K299 L311 L330 L332	F273-L295 HydrophobicContact CB-CD1 4.22Å; F273-L295 HydrophobicContact CB-CD2 3.57Å; F273-L295 HydrophobicContact CB-CG 3.63Å; F273-L295 HydrophobicContact CD1-CD2 3.99Å; F273-L295 HydrophobicContact CD2-CD2 4.35Å; F273-L295 HydrophobicContact CG-CD2 3.71Å; F273-L295 HydrophobicContact CG-CG 4.33Å; Y274-L295 HydrophobicContact CD1-CD1 4.19Å; I281-L295 HydrophobicContact CD1-CD1 3.19Å; N293-L295 VanDerWaalsContact C-N 3.32Å; N293-L295 WeakPolarHBondContact OD1-CA 3.42Å; N293-L295 WeakPolarHBondContact OD1-CB 3.43Å; N293-L295 PolarHBondContact OD1-N 2.91Å; L295-K297 VanDerWaalsContact C-N 3.28Å; L295-K297 PolarHBondContact O-N 2.83Å; L295-W298 PolarHBondContact O-N 2.87Å; L295-K299 PolarHBondContact O-N 3.15Å; L295-L311 HydrophobicContact CB-CD2 3.85Å; L295-L311 HydrophobicContact CD2-CD1 4.2Å; L295-L330 HydrophobicContact CD2-CD2 4.04Å; L295-L332 HydrophobicContact CD2-CD1 3.62Å
296	H	95.5	Very high	95.5	Very high	126 Å²	126	67.2 Å²	67.2	58%	0.583	35%	0.347	S	S	*	.	H	α-helix	trans	-59.4	-41.8	170.8	-68.4	176.1	0	0	0	111.4	N293 K299 A300	N293-H296 PolarHBondContact OD1-N 3.17Å; H296-K299 PolarHBondContact O-N 2.95Å; H296-A300 WeakPolarHBondContact O-CB 3.47Å; H296-A300 PolarHBondContact O-N 3.46Å
297	K	96.7	Very high	95.6	Very high	103 Å²	103	68.7 Å²	68.7	45%	0.448	35%	0.35	S	S	.	.	H	α-helix	trans	-66.3	-40.5	178.2	-171.3	176.4	179.3	178.8	0	112.3	L256 N293 L294 L295 A300 I301	L256-K297 HydrophobicContact CD2-CB 3.74Å; L256-K297 HydrophobicContact CD2-CD 3.83Å; L256-K297 HydrophobicContact CD2-CG 3.75Å; N293-K297 PolarHBondContact O-N 2.8Å; L294-K297 PolarHBondContact O-N 3.14Å; L295-K297 VanDerWaalsContact C-N 3.28Å; L295-K297 PolarHBondContact O-N 2.83Å; K297-A300 PolarHBondContact O-N 2.65Å; K297-I301 HydrophobicContact CG-CD1 4.25Å; K297-I301 VanDerWaalsContact O-CG1 3.31Å; K297-I301 WeakPolarHBondContact O-CG1 3.29Å; K297-I301 PolarHBondContact O-N 3.18Å
298	W	97.9	Very high	95.7	Very high	5 Å²	5	70.4 Å²	70.4	2%	0.019	36%	0.358	C	S	.	.	H	α-helix	trans	-60.4	-48.7	175.1	-179.8	91.3	0	0	0	110.7	L256 L294 L295 A300 I301 Q302 H309 V310 L311 L330	L256-W298 HydrophobicContact CD1-CB 4.33Å; L256-W298 HydrophobicContact CD2-CB 4.39Å; L256-W298 HydrophobicContact CG-CB 4.1Å; L294-W298 WeakPolarHBondContact O-CB 3.43Å; L294-W298 PolarHBondContact O-N 2.71Å; L295-W298 PolarHBondContact O-N 2.87Å; W298-A300 VanDerWaalsContact C-N 3.31Å; W298-A300 PolarHBondContact O-N 3.01Å; W298-I301 PolarHBondContact O-N 2.95Å; W298-I301 VanDerWaalsContact O-N 3.15Å; W298-Q302 HydrophobicContact CD2-CG 4.06Å; W298-Q302 HydrophobicContact CE3-CG 4.3Å; W298-Q302 HydrophobicContact CH2-CG 4.08Å; W298-Q302 HydrophobicContact CZ2-CG 3.82Å; W298-Q302 HydrophobicContact CZ3-CG 4.32Å; W298-Q302 WeakPolarHBondContact O-CG 3.15Å; W298-Q302 PolarHBondContact O-N 3.39Å; W298-H309 HydrophobicContact CH2-CB 4.03Å; W298-H309 HydrophobicContact CZ3-CB 4.44Å; W298-H309 AromaticContact CZ3-CD2 3.94Å; W298-V310 WeakPolarHBondContact CH2-O 3.35Å; W298-L311 HydrophobicContact CZ3-CB 4.1Å; W298-L330 HydrophobicContact CB-CD2 4.43Å; W298-L330 HydrophobicContact CD2-CB 4.14Å; W298-L330 HydrophobicContact CD2-CD2 3.82Å; W298-L330 HydrophobicContact CE3-CB 4.22Å; W298-L330 HydrophobicContact CE3-CD2 4.23Å; W298-L330 HydrophobicContact CG-CD2 3.9Å; W298-L330 HydrophobicContact CH2-CB 3.71Å; W298-L330 HydrophobicContact CZ2-CB 3.6Å; W298-L330 HydrophobicContact CZ3-CB 4.02Å
299	K	97.6	Very high	95.9	Very high	118 Å²	118	72.5 Å²	72.5	51%	0.513	37%	0.367	S	S	.	.	H	α-helix	trans	-58	-43	176.2	-168.8	177.9	-177.4	174.5	0	112	L295 H296 Q302 T303 H309	L295-K299 PolarHBondContact O-N 3.15Å; H296-K299 PolarHBondContact O-N 2.95Å; K299-Q302 PolarHBondContact O-N 2.86Å; K299-T303 WeakPolarHBondContact O-CB 3.34Å; K299-T303 PolarHBondContact O-N 2.8Å; K299-T303 PolarHBondContact O-OG1 3.36Å; K299-H309 WeakPolarHBondContact CG-NE2 3.08Å; K299-H309 PolarHBondContact O-NE2 3.46Å
300	A	97.9	Very high	96.3	Very high	57 Å²	57	70.5 Å²	70.5	47%	0.471	35%	0.352	S	S	.	.	H	α-helix	trans	-63.1	-41.2	176.6	0	0	0	0	0	112.7	H296 K297 W298 T303 K304	H296-A300 WeakPolarHBondContact O-CB 3.47Å; H296-A300 PolarHBondContact O-N 3.46Å; K297-A300 PolarHBondContact O-N 2.65Å; W298-A300 VanDerWaalsContact C-N 3.31Å; W298-A300 PolarHBondContact O-N 3.01Å; A300-T303 PolarHBondContact O-N 2.8Å; A300-K304 WeakPolarHBondContact O-CB 3.46Å; A300-K304 PolarHBondContact O-N 2.88Å
301	I	97.8	Very high	96.6	Very high	44 Å²	44	69.8 Å²	69.8	23%	0.226	35%	0.348	C	S	.	.	H	α-helix	trans	-60.2	-51.1	175	-70.4	163.9	0	0	0	110.2	L256 K297 W298 T303 K304 M305	L256-I301 HydrophobicContact CB-CD1 4.29Å; L256-I301 HydrophobicContact CD2-CD1 4.33Å; L256-I301 HydrophobicContact CG-CD1 4.47Å; K297-I301 HydrophobicContact CG-CD1 4.25Å; K297-I301 VanDerWaalsContact O-CG1 3.31Å; K297-I301 WeakPolarHBondContact O-CG1 3.29Å; K297-I301 PolarHBondContact O-N 3.18Å; W298-I301 PolarHBondContact O-N 2.95Å; W298-I301 VanDerWaalsContact O-N 3.15Å; I301-T303 VanDerWaalsContact C-N 3.34Å; I301-T303 PolarHBondContact O-N 3.17Å; I301-K304 PolarHBondContact O-N 2.82Å; I301-M305 HydrophobicContact CG2-SD 4.05Å; I301-M305 WeakPolarHBondContact O-CG 3.17Å; I301-M305 PolarHBondContact O-N 2.97Å; I301-M305 VanDerWaalsContact O-N 3.12Å
302	Q	98.1	Very high	97.3	Very high	0 Å²	0	66 Å²	66	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-65.1	-38	-178.3	-58.9	-57.3	-9.4	0	0	112.3	S260 W298 K299 M305 N306 R307 H309	S260-Q302 PolarHBondContact O-NE2 2.81Å; W298-Q302 HydrophobicContact CD2-CG 4.06Å; W298-Q302 HydrophobicContact CE3-CG 4.3Å; W298-Q302 HydrophobicContact CH2-CG 4.08Å; W298-Q302 HydrophobicContact CZ2-CG 3.82Å; W298-Q302 HydrophobicContact CZ3-CG 4.32Å; W298-Q302 WeakPolarHBondContact O-CG 3.15Å; W298-Q302 PolarHBondContact O-N 3.39Å; K299-Q302 PolarHBondContact O-N 2.86Å; Q302-M305 PolarHBondContact O-N 3.35Å; Q302-N306 PolarHBondContact O-N 3.49Å; Q302-R307 PolarHBondContact O-N 3.32Å; Q302-R307 VanDerWaalsContact O-N 3.13Å; Q302-R307 VanDerWaalsContact OE1-NH1 3.12Å; Q302-H309 HydrophobicContact CB-CB 3.74Å; Q302-H309 WeakPolarHBondContact CB-ND1 3.35Å; Q302-H309 HydrophobicContact CG-CB 4.03Å
303	T	98.1	Very high	97.6	Very high	84 Å²	84	62.9 Å²	62.9	52%	0.515	31%	0.31	S	S	.	.	H	α-helix	trans	-62.5	-46.8	174.7	-57.7	0	0	0	0	111.3	K299 A300 I301 M305 N306 H309	K299-T303 WeakPolarHBondContact O-CB 3.34Å; K299-T303 PolarHBondContact O-N 2.8Å; K299-T303 PolarHBondContact O-OG1 3.36Å; A300-T303 PolarHBondContact O-N 2.8Å; I301-T303 VanDerWaalsContact C-N 3.34Å; I301-T303 PolarHBondContact O-N 3.17Å; T303-M305 PolarHBondContact O-N 3.33Å; T303-N306 PolarHBondContact O-N 3.19Å; T303-H309 PolarHBondContact N-CE1 3.44Å; T303-H309 PolarHBondContact OG1-CE1 2.85Å; T303-H309 PolarHBondContact OG1-NE2 2.89Å
304	K	98	Very high	97.7	Very high	194 Å²	194	64.1 Å²	64.1	84%	0.843	32%	0.319	S	S	*	.	H	α-helix	trans	-60.8	-30.1	178	-177.9	176.9	177.2	-179.8	0	112.7	A300 I301 N306	A300-K304 WeakPolarHBondContact O-CB 3.46Å; A300-K304 PolarHBondContact O-N 2.88Å; I301-K304 PolarHBondContact O-N 2.82Å; K304-N306 VanDerWaalsContact C-N 3.28Å
305	M	96.7	Very high	97.7	Very high	79 Å²	79	64.5 Å²	64.5	39%	0.389	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	6	177	-63	-179.3	81.6	0	0	113.5	I301 Q302 T303 R307	I301-M305 HydrophobicContact CG2-SD 4.05Å; I301-M305 WeakPolarHBondContact O-CG 3.17Å; I301-M305 PolarHBondContact O-N 2.97Å; I301-M305 VanDerWaalsContact O-N 3.12Å; Q302-M305 PolarHBondContact O-N 3.35Å; T303-M305 PolarHBondContact O-N 3.33Å; M305-R307 HydrophobicContact CB-CG 4.03Å; M305-R307 PolarHBondContact O-N 3.11Å; M305-R307 PolarHBondContact SD-NH1 3.37Å; M305-R307 VanDerWaalsContact SD-NH1 3.36Å
306	N	97.4	Very high	97.7	Very high	156 Å²	156	67 Å²	67	83%	0.834	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	38.8	-177.9	-164.6	41.5	0	0	0	113.5	Q302 T303 K304	Q302-N306 PolarHBondContact O-N 3.49Å; T303-N306 PolarHBondContact O-N 3.19Å; K304-N306 VanDerWaalsContact C-N 3.28Å
307	R	97.6	Very high	97.9	Very high	38 Å²	38	64.1 Å²	64.1	14%	0.143	33%	0.325	C	S	.	.			trans	-96.1	141.8	-178.3	-73.4	169.2	170.1	177.8	-3.2	111.3	S260 H261 Q302 M305 H309 Y328	S260-R307 PolarHBondContact O-NH1 2.87Å; H261-R307 PolarHBondContact CE1-NH2 2.76Å; H261-R307 PolarHBondContact ND1-NH2 3.36Å; Q302-R307 PolarHBondContact O-N 3.32Å; Q302-R307 VanDerWaalsContact O-N 3.13Å; Q302-R307 VanDerWaalsContact OE1-NH1 3.12Å; M305-R307 HydrophobicContact CB-CG 4.03Å; M305-R307 PolarHBondContact O-N 3.11Å; M305-R307 PolarHBondContact SD-NH1 3.37Å; M305-R307 VanDerWaalsContact SD-NH1 3.36Å; R307-H309 PolarHBondContact O-N 3.06Å; R307-H309 PolarHBondContact O-ND1 3.42Å; R307-Y328 HydrophobicContact CB-CD2 3.69Å; R307-Y328 HydrophobicContact CB-CE2 3.91Å; R307-Y328 HydrophobicContact CG-CD2 3.89Å; R307-Y328 HydrophobicContact CG-CE2 3.56Å; R307-Y328 PolarHBondContact NE-OH 3.1Å; R307-Y328 PolarHBondContact NH2-OH 3.4Å
308	K	98.2	Very high	98	Very high	135 Å²	135	59.8 Å²	59.8	59%	0.587	31%	0.306	S	S	*	.			trans	-74.3	106.6	169.3	-62.8	178.4	-176.7	175.4	0	108.7	S325 D327 Y328	K308-S325 WeakPolarHBondContact CD-O 3.19Å; K308-D327 PolarHBondContact O-N 2.78Å; K308-Y328 PolarHBondContact O-N 2.81Å; K308-Y328 VanDerWaalsContact O-N 3.07Å
309	H	98.6	Very high	98	Very high	44 Å²	44	65.9 Å²	65.9	20%	0.204	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	154.8	-171.6	64.7	-81.1	0	0	0	112.5	W298 K299 Q302 T303 R307 Y328	W298-H309 HydrophobicContact CH2-CB 4.03Å; W298-H309 HydrophobicContact CZ3-CB 4.44Å; W298-H309 AromaticContact CZ3-CD2 3.94Å; K299-H309 WeakPolarHBondContact CG-NE2 3.08Å; K299-H309 PolarHBondContact O-NE2 3.46Å; Q302-H309 HydrophobicContact CB-CB 3.74Å; Q302-H309 WeakPolarHBondContact CB-ND1 3.35Å; Q302-H309 HydrophobicContact CG-CB 4.03Å; T303-H309 PolarHBondContact N-CE1 3.44Å; T303-H309 PolarHBondContact OG1-CE1 2.85Å; T303-H309 PolarHBondContact OG1-NE2 2.89Å; R307-H309 PolarHBondContact O-N 3.06Å; R307-H309 PolarHBondContact O-ND1 3.42Å; H309-Y328 CarbonylContact C-O 3.41Å; H309-Y328 WeakPolarHBondContact CA-O 3.2Å
310	V	98.5	Very high	98	Very high	32 Å²	32	69 Å²	69	19%	0.194	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	140.2	175.4	76.5	0	0	0	0	111.2	W298 L312 T321 V326 Y328 V329 L330	W298-V310 WeakPolarHBondContact CH2-O 3.35Å; V310-L312 HydrophobicContact CB-CD2 4.49Å; V310-L312 HydrophobicContact CG1-CD1 4.09Å; V310-L312 HydrophobicContact CG1-CD2 4.21Å; V310-L312 HydrophobicContact CG1-CG 3.98Å; V310-L312 HydrophobicContact CG2-CD2 3.5Å; V310-L312 VanDerWaalsContact CG2-CD2 3.5Å; V310-L312 HydrophobicContact CG2-CG 4.07Å; V310-T321 HydrophobicContact CG1-CG2 4.47Å; V310-V326 HydrophobicContact CB-CG1 4.14Å; V310-V326 HydrophobicContact CB-CG2 4.47Å; V310-V326 HydrophobicContact CG1-CG1 3.77Å; V310-V326 HydrophobicContact CG1-CG2 4.46Å; V310-Y328 PolarHBondContact N-O 2.95Å; V310-V329 HydrophobicContact CG1-CB 4.32Å; V310-V329 HydrophobicContact CG1-CG1 4.03Å; V310-V329 HydrophobicContact CG1-CG2 4.04Å; V310-L330 PolarHBondContact O-N 3.14Å
311	L	98.2	Very high	98.1	Very high	45 Å²	45	67.3 Å²	67.3	24%	0.236	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	125.7	169.6	173.4	64.7	0	0	0	107.4	L295 W298 L330	L295-L311 HydrophobicContact CB-CD2 3.85Å; L295-L311 HydrophobicContact CD2-CD1 4.2Å; W298-L311 HydrophobicContact CZ3-CB 4.1Å; L311-L330 CarbonylContact C-O 3.43Å; L311-L330 VanDerWaalsContact CA-O 3.31Å; L311-L330 WeakPolarHBondContact CA-O 3.46Å; L311-L330 HydrophobicContact CD1-CB 4.06Å; L311-L330 HydrophobicContact CD1-CD2 3.92Å; L311-L330 HydrophobicContact CD1-CG 3.84Å; L311-L330 WeakPolarHBondContact CD1-O 3.42Å
312	L	98.4	Very high	98.1	Very high	4 Å²	4	69.7 Å²	69.7	2%	0.021	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	140.9	-173.8	-53.2	170.6	0	0	0	110.6	V310 E317 W323 V329 L330 L332 F333	V310-L312 HydrophobicContact CB-CD2 4.49Å; V310-L312 HydrophobicContact CG1-CD1 4.09Å; V310-L312 HydrophobicContact CG1-CD2 4.21Å; V310-L312 HydrophobicContact CG1-CG 3.98Å; V310-L312 HydrophobicContact CG2-CD2 3.5Å; V310-L312 VanDerWaalsContact CG2-CD2 3.5Å; V310-L312 HydrophobicContact CG2-CG 4.07Å; L312-E317 HydrophobicContact CD2-CB 3.7Å; L312-W323 HydrophobicContact CD1-CH2 3.78Å; L312-W323 HydrophobicContact CD1-CZ3 4.23Å; L312-V329 HydrophobicContact CD1-CG1 4.13Å; L312-L330 PolarHBondContact N-O 3.41Å; L312-L332 PolarHBondContact O-N 3.23Å; L312-F333 HydrophobicContact CB-CE1 3.79Å; L312-F333 HydrophobicContact CB-CZ 4.2Å; L312-F333 HydrophobicContact CD1-CZ 4.35Å
313	H	97.9	Very high	98.1	Very high	24 Å²	24	71 Å²	71	11%	0.111	34%	0.344	C	S	.	.			trans	-128.3	-13.1	176.8	-67.2	-56.5	0	0	0	113.9	I281 F282 E317 L332	I281-H313 HydrophobicContact CG2-CB 4.32Å; F282-H313 WeakPolarHBondContact CE1-O 3.29Å; F282-H313 HydrophobicContact CE2-CB 4.5Å; F282-H313 HydrophobicContact CZ-CB 4.24Å; F282-H313 WeakPolarHBondContact CZ-O 3.09Å; H313-E317 PolarHBondContact N-OE2 2.95Å; H313-L332 WeakPolarHBondContact CA-O 3.42Å; H313-L332 PolarHBondContact ND1-O 3.29Å; H313-L332 VanDerWaalsContact ND1-O 3.11Å
314	T	97.6	Very high	98	Very high	55 Å²	55	71 Å²	71	34%	0.337	35%	0.347	S	S	.	.	S	Bend	trans	-129	154.2	-176.3	66.6	0	0	0	0	112.2	S316 E317 F318	T314-S316 PolarHBondContact O-N 3.49Å; T314-E317 PolarHBondContact N-OE2 3.21Å; T314-E317 PolarHBondContact O-N 3.06Å; T314-E317 VanDerWaalsContact OG1-CD 3.25Å; T314-E317 WeakPolarHBondContact OG1-CG 3.48Å; T314-E317 PolarHBondContact OG1-N 3.02Å; T314-E317 VanDerWaalsContact OG1-N 3.15Å; T314-E317 PolarHBondContact OG1-OE2 2.98Å; T314-F318 PolarHBondContact O-N 2.82Å
315	N	97.9	Very high	97.9	Very high	9 Å²	9	64.4 Å²	64.4	5%	0.048	33%	0.325	C	S	.	.	H	α-helix	trans	-65.4	-28.3	173.9	-169.9	31.5	0	0	0	112.4	F318 K319 D346	N315-F318 WeakPolarHBondContact O-CB 3.28Å; N315-F318 PolarHBondContact O-N 3.36Å; N315-K319 WeakPolarHBondContact ND2-CE 3.3Å; N315-K319 PolarHBondContact ND2-NZ 3.18Å; N315-K319 VanDerWaalsContact ND2-NZ 3.14Å; N315-K319 WeakPolarHBondContact O-CB 3.44Å; N315-K319 VanDerWaalsContact O-CG 3.32Å; N315-K319 WeakPolarHBondContact O-CG 3.36Å; N315-K319 PolarHBondContact O-N 3.49Å; N315-D346 WeakPolarHBondContact CB-O 3.44Å; N315-D346 WeakPolarHBondContact CB-OD1 3.47Å; N315-D346 PolarHBondContact ND2-OD1 3.3Å
316	S	98.3	Very high	98	Very high	54 Å²	54	61.3 Å²	61.3	38%	0.378	31%	0.311	S	S	.	.	H	α-helix	trans	-63.3	-43.9	171.6	-75.8	0	0	0	0	112.6	T314 R320	T314-S316 PolarHBondContact O-N 3.49Å; S316-R320 WeakPolarHBondContact O-CB 3.35Å; S316-R320 WeakPolarHBondContact O-CG 3.23Å; S316-R320 PolarHBondContact O-N 2.96Å; S316-R320 PolarHBondContact O-NE 2.92Å
317	E	98.3	Very high	98	Very high	66 Å²	66	56.7 Å²	56.7	31%	0.308	29%	0.286	S	S	.	.	H	α-helix	trans	-66.5	-41.6	173.7	-65.6	160.4	147	0	0	111.3	L312 H313 T314 R320 T321	L312-E317 HydrophobicContact CD2-CB 3.7Å; H313-E317 PolarHBondContact N-OE2 2.95Å; T314-E317 PolarHBondContact N-OE2 3.21Å; T314-E317 PolarHBondContact O-N 3.06Å; T314-E317 VanDerWaalsContact OG1-CD 3.25Å; T314-E317 WeakPolarHBondContact OG1-CG 3.48Å; T314-E317 PolarHBondContact OG1-N 3.02Å; T314-E317 VanDerWaalsContact OG1-N 3.15Å; T314-E317 PolarHBondContact OG1-OE2 2.98Å; E317-R320 PolarHBondContact O-N 2.92Å; E317-T321 PolarHBondContact O-N 2.56Å; E317-T321 VanDerWaalsContact O-N 3.11Å; E317-T321 PolarHBondContact O-OG1 3.25Å
318	F	98.7	Very high	98.1	Very high	12 Å²	12	56.5 Å²	56.5	5%	0.053	29%	0.285	C	S	.	.	H	α-helix	trans	-54.7	-53.6	175.2	-179.1	-90.8	0	0	0	111.8	M266 T314 N315 R320 T321 W323 F333 P348 E352 M353 A356	M266-F318 HydrophobicContact SD-CD2 4.44Å; M266-F318 HydrophobicContact SD-CE2 3.92Å; T314-F318 PolarHBondContact O-N 2.82Å; N315-F318 WeakPolarHBondContact O-CB 3.28Å; N315-F318 PolarHBondContact O-N 3.36Å; F318-R320 VanDerWaalsContact C-N 3.32Å; F318-R320 PolarHBondContact O-N 3.32Å; F318-T321 WeakPolarHBondContact O-CB 3.03Å; F318-T321 PolarHBondContact O-N 3Å; F318-W323 HydrophobicContact CD1-CZ2 4.39Å; F318-W323 AromaticContact CD2-CH2 3.68Å; F318-W323 HydrophobicContact CD2-CH2 3.68Å; F318-W323 AromaticContact CD2-CZ2 3.63Å; F318-W323 HydrophobicContact CD2-CZ2 3.63Å; F318-W323 HydrophobicContact CE1-CZ2 4.26Å; F318-W323 AromaticContact CE2-CH2 3.72Å; F318-W323 HydrophobicContact CE2-CH2 3.72Å; F318-W323 AromaticContact CE2-CZ2 3.51Å; F318-W323 HydrophobicContact CE2-CZ2 3.51Å; F318-W323 HydrophobicContact CG-CH2 4.43Å; F318-W323 HydrophobicContact CG-CZ2 4.08Å; F318-W323 HydrophobicContact CZ-CH2 4.48Å; F318-W323 AromaticContact CZ-CZ2 3.83Å; F318-W323 HydrophobicContact CZ-CZ2 3.83Å; F318-W323 WeakPolarHBondContact O-CZ2 3.43Å; F318-F333 HydrophobicContact CB-CE1 3.98Å; F318-F333 HydrophobicContact CB-CZ 4.34Å; F318-F333 HydrophobicContact CD2-CE1 4.1Å; F318-F333 HydrophobicContact CD2-CE2 4.31Å; F318-F333 AromaticContact CD2-CZ 3.59Å; F318-F333 HydrophobicContact CD2-CZ 3.59Å; F318-F333 HydrophobicContact CE2-CZ 4.36Å; F318-F333 HydrophobicContact CG-CE1 4.44Å; F318-F333 HydrophobicContact CG-CZ 4.35Å; F318-P348 HydrophobicContact CD1-CB 4.01Å; F318-P348 HydrophobicContact CD2-CB 4.34Å; F318-P348 HydrophobicContact CD2-CG 4.37Å; F318-P348 HydrophobicContact CE1-CB 4.1Å; F318-P348 HydrophobicContact CE2-CB 4.4Å; F318-P348 HydrophobicContact CG-CB 4.14Å; F318-P348 HydrophobicContact CG-CG 4.36Å; F318-P348 HydrophobicContact CZ-CB 4.29Å; F318-E352 HydrophobicContact CE1-CB 3.91Å; F318-E352 HydrophobicContact CZ-CB 4.07Å; F318-E352 WeakPolarHBondContact CZ-O 3.44Å; F318-M353 HydrophobicContact CE2-CG 4.36Å; F318-A356 HydrophobicContact CE2-CB 3.71Å; F318-A356 HydrophobicContact CZ-CB 3.61Å
319	K	98.4	Very high	98.1	Very high	133 Å²	133	50.1 Å²	50.1	58%	0.578	26%	0.258	S	S	*	.	H	α-helix	trans	-64.3	-31.8	-178.8	-73.5	172.7	177.1	169.9	0	113.7	N315	N315-K319 WeakPolarHBondContact ND2-CE 3.3Å; N315-K319 PolarHBondContact ND2-NZ 3.18Å; N315-K319 VanDerWaalsContact ND2-NZ 3.14Å; N315-K319 WeakPolarHBondContact O-CB 3.44Å; N315-K319 VanDerWaalsContact O-CG 3.32Å; N315-K319 WeakPolarHBondContact O-CG 3.36Å; N315-K319 PolarHBondContact O-N 3.49Å
320	R	98.1	Very high	98.1	Very high	183 Å²	183	48.1 Å²	48.1	69%	0.691	25%	0.249	S	C	*	.	H	α-helix	trans	-81.8	-13.4	178.3	-71.2	-175.3	-61.1	-116.2	0	113.7	S316 E317 F318 N322	S316-R320 WeakPolarHBondContact O-CB 3.35Å; S316-R320 WeakPolarHBondContact O-CG 3.23Å; S316-R320 PolarHBondContact O-N 2.96Å; S316-R320 PolarHBondContact O-NE 2.92Å; E317-R320 PolarHBondContact O-N 2.92Å; F318-R320 VanDerWaalsContact C-N 3.32Å; F318-R320 PolarHBondContact O-N 3.32Å; R320-N322 PolarHBondContact O-N 3.35Å
321	T	98.6	Very high	98.2	Very high	23 Å²	23	46.6 Å²	46.6	14%	0.141	24%	0.239	C	C	.	.			trans	-71.8	122	-175.2	-64.9	0	0	0	0	110.5	V310 E317 F318 W323 V326	V310-T321 HydrophobicContact CG1-CG2 4.47Å; E317-T321 PolarHBondContact O-N 2.56Å; E317-T321 VanDerWaalsContact O-N 3.11Å; E317-T321 PolarHBondContact O-OG1 3.25Å; F318-T321 WeakPolarHBondContact O-CB 3.03Å; F318-T321 PolarHBondContact O-N 3Å; T321-W323 HydrophobicContact CG2-CD2 4.03Å; T321-W323 HydrophobicContact CG2-CE3 3.62Å; T321-W323 HydrophobicContact CG2-CH2 3.9Å; T321-W323 HydrophobicContact CG2-CZ2 4.28Å; T321-W323 HydrophobicContact CG2-CZ3 3.55Å; T321-W323 PolarHBondContact O-N 3.25Å; T321-W323 VanDerWaalsContact O-N 3.16Å; T321-V326 HydrophobicContact CG2-CG2 4.22Å
322	N	98.1	Very high	98.2	Very high	94 Å²	94	44.4 Å²	44.4	50%	0.503	23%	0.228	S	C	.	.			trans	-79.6	96.4	169.6	179.3	11.2	0	0	0	110.1	R320 S324 S325	R320-N322 PolarHBondContact O-N 3.35Å; N322-S324 PolarHBondContact ND2-OG 3.02Å; N322-S324 PolarHBondContact O-N 2.76Å; N322-S324 PolarHBondContact OD1-N 2.85Å; N322-S324 PolarHBondContact OD1-OG 3.37Å; N322-S325 PolarHBondContact O-N 2.77Å; N322-S325 PolarHBondContact O-OG 3.24Å
323	W	98.2	Very high	98.2	Very high	28 Å²	28	44.4 Å²	44.4	11%	0.106	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-56.4	-25.1	-178.1	-55.1	113.7	0	0	0	114.3	L312 F318 T321 S325 V329 A356 K359 V360 R363	L312-W323 HydrophobicContact CD1-CH2 3.78Å; L312-W323 HydrophobicContact CD1-CZ3 4.23Å; F318-W323 HydrophobicContact CD1-CZ2 4.39Å; F318-W323 AromaticContact CD2-CH2 3.68Å; F318-W323 HydrophobicContact CD2-CH2 3.68Å; F318-W323 AromaticContact CD2-CZ2 3.63Å; F318-W323 HydrophobicContact CD2-CZ2 3.63Å; F318-W323 HydrophobicContact CE1-CZ2 4.26Å; F318-W323 AromaticContact CE2-CH2 3.72Å; F318-W323 HydrophobicContact CE2-CH2 3.72Å; F318-W323 AromaticContact CE2-CZ2 3.51Å; F318-W323 HydrophobicContact CE2-CZ2 3.51Å; F318-W323 HydrophobicContact CG-CH2 4.43Å; F318-W323 HydrophobicContact CG-CZ2 4.08Å; F318-W323 HydrophobicContact CZ-CH2 4.48Å; F318-W323 AromaticContact CZ-CZ2 3.83Å; F318-W323 HydrophobicContact CZ-CZ2 3.83Å; F318-W323 WeakPolarHBondContact O-CZ2 3.43Å; T321-W323 HydrophobicContact CG2-CD2 4.03Å; T321-W323 HydrophobicContact CG2-CE3 3.62Å; T321-W323 HydrophobicContact CG2-CH2 3.9Å; T321-W323 HydrophobicContact CG2-CZ2 4.28Å; T321-W323 HydrophobicContact CG2-CZ3 3.55Å; T321-W323 PolarHBondContact O-N 3.25Å; T321-W323 VanDerWaalsContact O-N 3.16Å; W323-S325 PolarHBondContact O-N 3.18Å; W323-V329 HydrophobicContact CE3-CG2 4.36Å; W323-V329 HydrophobicContact CZ3-CG1 4.13Å; W323-V329 HydrophobicContact CZ3-CG2 3.98Å; W323-A356 HydrophobicContact CD2-CB 3.89Å; W323-A356 HydrophobicContact CE3-CB 4.25Å; W323-A356 HydrophobicContact CH2-CB 3.95Å; W323-A356 HydrophobicContact CZ2-CB 3.56Å; W323-A356 HydrophobicContact CZ3-CB 4.28Å; W323-K359 HydrophobicContact CB-CB 4.02Å; W323-K359 HydrophobicContact CG-CB 4.49Å; W323-V360 HydrophobicContact CB-CG2 4.26Å; W323-V360 HydrophobicContact CE3-CG2 3.99Å; W323-R363 PolarHBondContact O-NH1 3.28Å
324	S	96.7	Very high	98.2	Very high	83 Å²	83	43.3 Å²	43.3	58%	0.58	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-70.7	-13.6	177.2	80.2	0	0	0	0	113.8	N322	N322-S324 PolarHBondContact ND2-OG 3.02Å; N322-S324 PolarHBondContact O-N 2.76Å; N322-S324 PolarHBondContact OD1-N 2.85Å; N322-S324 PolarHBondContact OD1-OG 3.37Å
325	S	96.4	Very high	98.2	Very high	56 Å²	56	42 Å²	42	39%	0.392	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-107.3	1.2	-174.7	68.6	0	0	0	0	114.2	K308 N322 W323	K308-S325 WeakPolarHBondContact CD-O 3.19Å; N322-S325 PolarHBondContact O-N 2.77Å; N322-S325 PolarHBondContact O-OG 3.24Å; W323-S325 PolarHBondContact O-N 3.18Å
326	V	98.2	Very high	98.2	Very high	13 Å²	13	43.4 Å²	43.4	8%	0.079	23%	0.226	C	C	.	.			trans	-129	131.1	-174	-178	0	0	0	0	110.7	V310 T321 Y328 V329 R363	V310-V326 HydrophobicContact CB-CG1 4.14Å; V310-V326 HydrophobicContact CB-CG2 4.47Å; V310-V326 HydrophobicContact CG1-CG1 3.77Å; V310-V326 HydrophobicContact CG1-CG2 4.46Å; T321-V326 HydrophobicContact CG2-CG2 4.22Å; V326-Y328 WeakPolarHBondContact CG1-O 3.36Å; V326-V329 HydrophobicContact CG1-CG2 3.78Å; V326-R363 PolarHBondContact O-NH2 3.03Å
327	D	98.3	Very high	98.2	Very high	59 Å²	59	42.4 Å²	42.4	32%	0.316	22%	0.215	S	C	.	.	S	Bend	trans	-105.9	-20.7	-178.7	-56.5	-44.2	0	0	0	112.9	N263 K308 R363	N263-D327 WeakPolarHBondContact CB-O 3.48Å; N263-D327 PolarHBondContact ND2-O 2.84Å; K308-D327 PolarHBondContact O-N 2.78Å; D327-R363 IonicContact OD1-NH2 2.76Å; D327-R363 PolarHBondContact OD1-NH2 3.4Å
328	Y	98.7	Very high	98.2	Very high	34 Å²	34	39.4 Å²	39.4	13%	0.133	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	119.5	-179.2	-65.5	-89.8	0	0	0	111.9	N263 R307 K308 H309 V310 V326	N263-Y328 CarbonylContact O-C 3.58Å; N263-Y328 WeakPolarHBondContact O-CA 3.26Å; R307-Y328 HydrophobicContact CB-CD2 3.69Å; R307-Y328 HydrophobicContact CB-CE2 3.91Å; R307-Y328 HydrophobicContact CG-CD2 3.89Å; R307-Y328 HydrophobicContact CG-CE2 3.56Å; R307-Y328 PolarHBondContact NE-OH 3.1Å; R307-Y328 PolarHBondContact NH2-OH 3.4Å; K308-Y328 PolarHBondContact O-N 2.81Å; K308-Y328 VanDerWaalsContact O-N 3.07Å; H309-Y328 CarbonylContact C-O 3.41Å; H309-Y328 WeakPolarHBondContact CA-O 3.2Å; V310-Y328 PolarHBondContact N-O 2.95Å; V326-Y328 WeakPolarHBondContact CG1-O 3.36Å
329	V	98.8	Very high	98.2	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.012	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	127.1	-175.4	-176.5	0	0	0	0	109.4	N263 V264 I265 M266 V310 L312 W323 V326 V360	N263-V329 PolarHBondContact O-N 2.9Å; V264-V329 HydrophobicContact CG1-CB 4.41Å; V264-V329 HydrophobicContact CG2-CB 4.47Å; V264-V329 HydrophobicContact CG2-CG2 4.43Å; I265-V329 PolarHBondContact N-O 3.42Å; M266-V329 HydrophobicContact CG-CG1 4.14Å; M266-V329 HydrophobicContact SD-CG1 4.11Å; V310-V329 HydrophobicContact CG1-CB 4.32Å; V310-V329 HydrophobicContact CG1-CG1 4.03Å; V310-V329 HydrophobicContact CG1-CG2 4.04Å; L312-V329 HydrophobicContact CD1-CG1 4.13Å; W323-V329 HydrophobicContact CE3-CG2 4.36Å; W323-V329 HydrophobicContact CZ3-CG1 4.13Å; W323-V329 HydrophobicContact CZ3-CG2 3.98Å; V326-V329 HydrophobicContact CG1-CG2 3.78Å; V329-V360 HydrophobicContact CG2-CG2 4.24Å
330	L	98.8	Very high	98.2	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	105.9	161.5	179.6	57.5	0	0	0	108.3	I265 L295 W298 V310 L311 L312 L332	I265-L330 HydrophobicContact CB-CD1 4.05Å; I265-L330 HydrophobicContact CG2-CD1 4.06Å; I265-L330 CarbonylContact O-C 3.33Å; I265-L330 WeakPolarHBondContact O-CA 3.46Å; L295-L330 HydrophobicContact CD2-CD2 4.04Å; W298-L330 HydrophobicContact CB-CD2 4.43Å; W298-L330 HydrophobicContact CD2-CB 4.14Å; W298-L330 HydrophobicContact CD2-CD2 3.82Å; W298-L330 HydrophobicContact CE3-CB 4.22Å; W298-L330 HydrophobicContact CE3-CD2 4.23Å; W298-L330 HydrophobicContact CG-CD2 3.9Å; W298-L330 HydrophobicContact CH2-CB 3.71Å; W298-L330 HydrophobicContact CZ2-CB 3.6Å; W298-L330 HydrophobicContact CZ3-CB 4.02Å; V310-L330 PolarHBondContact O-N 3.14Å; L311-L330 CarbonylContact C-O 3.43Å; L311-L330 VanDerWaalsContact CA-O 3.31Å; L311-L330 WeakPolarHBondContact CA-O 3.46Å; L311-L330 HydrophobicContact CD1-CB 4.06Å; L311-L330 HydrophobicContact CD1-CD2 3.92Å; L311-L330 HydrophobicContact CD1-CG 3.84Å; L311-L330 WeakPolarHBondContact CD1-O 3.42Å; L312-L330 PolarHBondContact N-O 3.41Å; L330-L332 HydrophobicContact CD1-CD1 4.43Å; L330-L332 HydrophobicContact CD1-CD2 4.03Å; L330-L332 HydrophobicContact CD1-CG 4.12Å; L330-L332 HydrophobicContact CG-CD1 4.39Å; L330-L332 HydrophobicContact CG-CG 4.26Å
331	G	98.7	Very high	98.2	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	115.1	177.7	0	0	0	0	0	111.4	I265 M266 G267	I265-G331 PolarHBondContact O-N 3.4Å; M266-G331 CarbonylContact C-O 3.6Å; M266-G331 VanDerWaalsContact CA-O 3.31Å; M266-G331 WeakPolarHBondContact CA-O 3.38Å; G267-G331 PolarHBondContact N-O 3.14Å
332	L	98.7	Very high	98.1	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	87	178.7	-57.1	176.8	0	0	0	109	V218 G267 G268 A270 F273 F282 L295 L312 H313 L330 A334	V218-L332 HydrophobicContact CB-CD2 4.43Å; V218-L332 HydrophobicContact CG1-CD2 3.95Å; V218-L332 HydrophobicContact CG2-CD2 3.57Å; G267-L332 CarbonylContact O-C 3.49Å; G267-L332 VanDerWaalsContact O-CA 3.31Å; G267-L332 WeakPolarHBondContact O-CA 3.2Å; G268-L332 WeakPolarHBondContact O-CD2 3.24Å; A270-L332 HydrophobicContact CB-CB 4.01Å; A270-L332 HydrophobicContact CB-CD1 4.49Å; F273-L332 HydrophobicContact CD2-CD1 3.67Å; F273-L332 HydrophobicContact CE2-CD1 3.8Å; F273-L332 HydrophobicContact CE2-CD2 4.31Å; F273-L332 HydrophobicContact CG-CD1 4.28Å; F282-L332 WeakPolarHBondContact CE2-O 3.38Å; F282-L332 WeakPolarHBondContact CZ-O 3.45Å; L295-L332 HydrophobicContact CD2-CD1 3.62Å; L312-L332 PolarHBondContact O-N 3.23Å; H313-L332 WeakPolarHBondContact CA-O 3.42Å; H313-L332 PolarHBondContact ND1-O 3.29Å; H313-L332 VanDerWaalsContact ND1-O 3.11Å; L330-L332 HydrophobicContact CD1-CD1 4.43Å; L330-L332 HydrophobicContact CD1-CD2 4.03Å; L330-L332 HydrophobicContact CD1-CG 4.12Å; L330-L332 HydrophobicContact CG-CD1 4.39Å; L330-L332 HydrophobicContact CG-CG 4.26Å; L332-A334 VanDerWaalsContact C-N 3.32Å; L332-A334 PolarHBondContact O-N 2.85Å
333	F	98.6	Very high	98.1	Very high	4 Å²	4	32.7 Å²	32.7	2%	0.018	18%	0.178	C	C	.	.			trans	-88.2	4.2	-167.8	-53.3	-67.6	0	0	0	114.5	M266 G267 F282 L312 F318 Q347 P348 M353	M266-F333 HydrophobicContact CB-CE2 4.12Å; M266-F333 HydrophobicContact CG-CE2 4.18Å; M266-F333 HydrophobicContact SD-CE2 4.26Å; M266-F333 HydrophobicContact SD-CZ 4.37Å; G267-F333 PolarHBondContact O-N 2.67Å; F282-F333 VanDerWaalsContact CZ-C 3.42Å; L312-F333 HydrophobicContact CB-CE1 3.79Å; L312-F333 HydrophobicContact CB-CZ 4.2Å; L312-F333 HydrophobicContact CD1-CZ 4.35Å; F318-F333 HydrophobicContact CB-CE1 3.98Å; F318-F333 HydrophobicContact CB-CZ 4.34Å; F318-F333 HydrophobicContact CD2-CE1 4.1Å; F318-F333 HydrophobicContact CD2-CE2 4.31Å; F318-F333 AromaticContact CD2-CZ 3.59Å; F318-F333 HydrophobicContact CD2-CZ 3.59Å; F318-F333 HydrophobicContact CE2-CZ 4.36Å; F318-F333 HydrophobicContact CG-CE1 4.44Å; F318-F333 HydrophobicContact CG-CZ 4.35Å; F333-Q347 PolarHBondContact O-NE2 2.86Å; F333-P348 HydrophobicContact CB-CG 4.18Å; F333-P348 HydrophobicContact CD1-CG 3.88Å; F333-P348 HydrophobicContact CD2-CG 3.45Å; F333-P348 VanDerWaalsContact CD2-CG 3.45Å; F333-P348 HydrophobicContact CE1-CG 4.14Å; F333-P348 HydrophobicContact CE2-CG 3.72Å; F333-P348 HydrophobicContact CG-CG 3.54Å; F333-P348 HydrophobicContact CZ-CG 4.07Å; F333-M353 HydrophobicContact CD2-SD 3.76Å; F333-M353 HydrophobicContact CE2-CG 4.23Å; F333-M353 HydrophobicContact CE2-SD 3.76Å
334	A	98.1	Very high	97.9	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.008	18%	0.179	C	C	.	.	S	Bend	trans	-149	151.3	176.6	0	0	0	0	0	111.6	G269 A270 L332 S336 H337 L338	G269-A334 PolarHBondContact N-O 2.72Å; A270-A334 PolarHBondContact N-O 3.21Å; L332-A334 VanDerWaalsContact C-N 3.32Å; L332-A334 PolarHBondContact O-N 2.85Å; A334-S336 VanDerWaalsContact C-N 3.27Å; A334-S336 WeakPolarHBondContact CB-O 3.38Å; A334-S336 PolarHBondContact O-N 3.03Å; A334-H337 VanDerWaalsContact CB-O 3.26Å; A334-H337 WeakPolarHBondContact CB-O 3.31Å; A334-L338 HydrophobicContact CB-CD1 4.4Å
335	P	97.5	Very high	97.6	Very high	28 Å²	28	36.9 Å²	36.9	18%	0.182	19%	0.19	C	C	.	.	S	Bend	trans	-56.7	-40.2	171.8	-23.2	31.1	0	0	0	113	G269 A270 T271 F282 M284	G269-P335 CarbonylContact C-O 3.29Å; G269-P335 WeakPolarHBondContact CA-O 3.47Å; A270-P335 PolarHBondContact N-O 2.81Å; T271-P335 WeakPolarHBondContact CB-O 3.37Å; T271-P335 HydrophobicContact CG2-CB 3.75Å; T271-P335 WeakPolarHBondContact CG2-O 3.3Å; T271-P335 PolarHBondContact N-O 3.4Å; T271-P335 VanDerWaalsContact N-O 3.1Å; T271-P335 PolarHBondContact OG1-O 3.3Å; F282-P335 HydrophobicContact CB-CG 3.75Å; F282-P335 HydrophobicContact CD1-CG 4.36Å; F282-P335 HydrophobicContact CD2-CB 4.45Å; F282-P335 HydrophobicContact CD2-CG 3.83Å; F282-P335 HydrophobicContact CG-CG 3.73Å; M284-P335 HydrophobicContact CE-CB 4.41Å; M284-P335 HydrophobicContact CG-CB 4.48Å; M284-P335 HydrophobicContact CG-CG 4.28Å; M284-P335 HydrophobicContact SD-CB 3.37Å; M284-P335 WeakPolarHBondContact SD-CB 3.05Å; M284-P335 HydrophobicContact SD-CG 3.27Å; M284-P335 WeakPolarHBondContact SD-CG 3.44Å
336	S	98.1	Very high	97.5	Very high	37 Å²	37	38.6 Å²	38.6	26%	0.259	20%	0.195	S	C	.	.	S	Bend	trans	-124.3	-139	176.6	-170.1	0	0	0	0	108.6	R217 G268 G269 A334	R217-S336 PolarHBondContact NH1-OG 3.43Å; G268-S336 CarbonylContact C-O 3.57Å; G268-S336 WeakPolarHBondContact CA-O 3.33Å; G269-S336 PolarHBondContact N-O 3.41Å; A334-S336 VanDerWaalsContact C-N 3.27Å; A334-S336 WeakPolarHBondContact CB-O 3.38Å; A334-S336 PolarHBondContact O-N 3.03Å
337	H	98.7	Very high	97.5	Very high	33 Å²	33	39.8 Å²	39.8	15%	0.153	20%	0.2	C	C	.	.	S	Bend	trans	-57.5	157.3	170.5	-47.2	-73.5	0	0	0	111.7	A216 R217 A334 H379	A216-H337 WeakPolarHBondContact CA-ND1 3.31Å; R217-H337 VanDerWaalsContact CZ-CE1 3.46Å; R217-H337 PolarHBondContact N-ND1 2.92Å; R217-H337 VanDerWaalsContact N-ND1 3.2Å; R217-H337 PolarHBondContact NH1-CD2 3.41Å; R217-H337 PolarHBondContact NH1-CE1 3.23Å; R217-H337 PolarHBondContact NH1-NE2 3.18Å; A334-H337 VanDerWaalsContact CB-O 3.26Å; A334-H337 WeakPolarHBondContact CB-O 3.31Å; H337-H379 AromaticContact CD2-CE1 3.98Å; H337-H379 AromaticContact CD2-NE2 3.94Å; H337-H379 AromaticContact CE1-CE1 3.43Å; H337-H379 PolarHBondContact CE1-CE1 3.24Å; H337-H379 VanDerWaalsContact CE1-CE1 3.43Å; H337-H379 AromaticContact CE1-NE2 3.42Å; H337-H379 PolarHBondContact CE1-NE2 3.31Å; H337-H379 AromaticContact CG-CE1 3.93Å; H337-H379 AromaticContact ND1-CE1 3.6Å; H337-H379 AromaticContact NE2-CE1 3.71Å; H337-H379 AromaticContact NE2-NE2 3.38Å; H337-H379 PolarHBondContact NE2-NE2 3.06Å
338	L	98.7	Very high	97.5	Very high	4 Å²	4	37 Å²	37	2%	0.021	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-61.4	152.3	165.8	-83.1	67	0	0	0	109.4	T215 A334 P348 M353 R376	T215-L338 HydrophobicContact CG2-CD2 4.47Å; T215-L338 WeakPolarHBondContact O-CB 3.41Å; T215-L338 PolarHBondContact O-N 2.86Å; A334-L338 HydrophobicContact CB-CD1 4.4Å; L338-P348 WeakPolarHBondContact CD2-O 3.25Å; L338-M353 HydrophobicContact CD2-CE 3.61Å; L338-M353 HydrophobicContact CD2-SD 4.37Å; L338-R376 WeakPolarHBondContact O-CD 3.39Å; L338-R376 PolarHBondContact O-NE 3.39Å
339	A	98.4	Very high	97.5	Very high	33 Å²	33	36.2 Å²	36.2	27%	0.273	19%	0.185	S	C	.	.	P	Polyproline II helix	trans	-63.1	150.3	173	0	0	0	0	0	110.1	N344	A339-N344 HydrophobicContact CB-CB 4.09Å
340	Y	98.6	Very high	97.5	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.016	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-55.6	145.7	165.4	-68.1	-66.4	0	0	0	109.5	L342 E343 N344 R376 H379 G380 E383 Y388 E392	Y340-L342 PolarHBondContact O-N 2.72Å; Y340-L342 VanDerWaalsContact O-N 3.17Å; Y340-E343 CarbonylContact O-C 3.54Å; Y340-E343 WeakPolarHBondContact O-CA 3.32Å; Y340-E343 PolarHBondContact O-N 2.8Å; Y340-N344 WeakPolarHBondContact O-CB 3.49Å; Y340-N344 PolarHBondContact O-N 3.35Å; Y340-R376 HydrophobicContact CD1-CB 3.89Å; Y340-R376 HydrophobicContact CD1-CG 4.43Å; Y340-R376 HydrophobicContact CE1-CB 3.9Å; Y340-R376 WeakPolarHBondContact CE1-O 3.49Å; Y340-R376 PolarHBondContact OH-NH2 2.96Å; Y340-H379 HydrophobicContact CE1-CB 4.35Å; Y340-H379 VanDerWaalsContact OH-CB 3.22Å; Y340-H379 WeakPolarHBondContact OH-CB 3.32Å; Y340-H379 PolarHBondContact OH-O 3.48Å; Y340-G380 PolarHBondContact OH-N 3.08Å; Y340-G380 VanDerWaalsContact OH-N 3.13Å; Y340-E383 PolarHBondContact OH-OE1 3.3Å; Y340-E383 PolarHBondContact OH-OE2 3.21Å; Y340-E383 VanDerWaalsContact OH-OE2 3.13Å; Y340-Y388 HydrophobicContact CD1-CD1 4.23Å; Y340-Y388 HydrophobicContact CD1-CG 4Å; Y340-Y388 HydrophobicContact CD2-CD1 4.02Å; Y340-Y388 AromaticContact CD2-CD2 3.8Å; Y340-Y388 HydrophobicContact CD2-CD2 3.8Å; Y340-Y388 HydrophobicContact CD2-CE1 4.18Å; Y340-Y388 AromaticContact CD2-CE2 3.95Å; Y340-Y388 HydrophobicContact CD2-CE2 3.95Å; Y340-Y388 AromaticContact CD2-CG 3.89Å; Y340-Y388 HydrophobicContact CD2-CG 3.89Å; Y340-Y388 HydrophobicContact CE1-CD2 4.45Å; Y340-Y388 HydrophobicContact CE1-CG 4.16Å; Y340-Y388 AromaticContact CE2-CD2 3.62Å; Y340-Y388 HydrophobicContact CE2-CD2 3.62Å; Y340-Y388 AromaticContact CE2-CE2 3.99Å; Y340-Y388 HydrophobicContact CE2-CE2 3.99Å; Y340-Y388 HydrophobicContact CE2-CG 4.02Å; Y340-Y388 AromaticContact CG-CD1 3.8Å; Y340-Y388 HydrophobicContact CG-CD1 3.8Å; Y340-Y388 HydrophobicContact CG-CD2 4.26Å; Y340-Y388 HydrophobicContact CG-CE1 4.25Å; Y340-Y388 AromaticContact CG-CG 3.87Å; Y340-Y388 HydrophobicContact CG-CG 3.87Å; Y340-Y388 AromaticContact CZ-CD2 3.98Å; Y340-E392 VanDerWaalsContact CA-OE1 3.27Å; Y340-E392 WeakPolarHBondContact CA-OE1 3.18Å; Y340-E392 HydrophobicContact CD1-CG 3.81Å; Y340-E392 HydrophobicContact CE1-CG 4.35Å
341	R	97.8	Very high	97.5	Very high	109 Å²	109	37 Å²	37	41%	0.411	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-38	-179.8	175.2	66.2	-157.7	165.2	6.6	113.2	E343 N344 T391 E392 E395	R341-E343 PolarHBondContact O-N 3.21Å; R341-N344 PolarHBondContact O-N 3.34Å; R341-T391 HydrophobicContact CB-CG2 4.45Å; R341-E392 PolarHBondContact N-OE1 3.27Å; R341-E395 HydrophobicContact CB-CG 3.64Å; R341-E395 VanDerWaalsContact CG-CD 3.46Å; R341-E395 HydrophobicContact CG-CG 3.6Å
342	L	97.1	Very high	97.5	Very high	68 Å²	68	40 Å²	40	36%	0.356	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-20	177.6	-65.4	-179	0	0	0	113.1	Y340 Q387 Y388 T391	Y340-L342 PolarHBondContact O-N 2.72Å; Y340-L342 VanDerWaalsContact O-N 3.17Å; L342-Q387 HydrophobicContact CD1-CG 3.86Å; L342-Y388 HydrophobicContact CB-CD1 4.26Å; L342-Y388 HydrophobicContact CB-CE1 3.9Å; L342-Y388 HydrophobicContact CD1-CD1 3.8Å; L342-Y388 HydrophobicContact CD1-CE1 3.91Å; L342-Y388 HydrophobicContact CG-CD1 4.36Å; L342-Y388 HydrophobicContact CG-CE1 4.41Å; L342-T391 HydrophobicContact CD2-CG2 3.95Å; L342-T391 HydrophobicContact CG-CG2 3.99Å
343	E	96.9	Very high	97.5	Very high	90 Å²	90	40 Å²	40	42%	0.421	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-16	-179.9	-61.7	179.7	174.3	0	0	112.7	Y340 R341 Q345 Y388	Y340-E343 CarbonylContact O-C 3.54Å; Y340-E343 WeakPolarHBondContact O-CA 3.32Å; Y340-E343 PolarHBondContact O-N 2.8Å; R341-E343 PolarHBondContact O-N 3.21Å; E343-Q345 PolarHBondContact O-N 3.11Å; E343-Q345 PolarHBondContact O-NE2 3.19Å; E343-Q345 VanDerWaalsContact O-NE2 3.15Å; E343-Y388 HydrophobicContact CG-CE1 4.34Å; E343-Y388 VanDerWaalsContact OE1-CZ 3.28Å; E343-Y388 PolarHBondContact OE1-OH 3.46Å
344	N	94.4	Very high	97.6	Very high	23 Å²	23	39.8 Å²	39.8	12%	0.123	20%	0.203	C	C	.	.			trans	-67.1	115.4	-173.9	-179.7	7	0	0	0	111.4	A339 Y340 R341 D346 Q347	A339-N344 HydrophobicContact CB-CB 4.09Å; Y340-N344 WeakPolarHBondContact O-CB 3.49Å; Y340-N344 PolarHBondContact O-N 3.35Å; R341-N344 PolarHBondContact O-N 3.34Å; N344-D346 PolarHBondContact OD1-N 2.88Å; N344-Q347 PolarHBondContact ND2-O 3Å; N344-Q347 WeakPolarHBondContact OD1-CB 3.45Å; N344-Q347 PolarHBondContact OD1-N 2.73Å
345	Q	90.1	Very high	97.6	Very high	175 Å²	175	41.8 Å²	41.8	82%	0.818	21%	0.212	S	C	*	.	S	Bend	trans	-92.5	-40.5	-179.8	-59	-58.5	-51.7	0	0	113.7	E343	E343-Q345 PolarHBondContact O-N 3.11Å; E343-Q345 PolarHBondContact O-NE2 3.19Å; E343-Q345 VanDerWaalsContact O-NE2 3.15Å
346	D	94.5	Very high	97.7	Very high	92 Å²	92	40.6 Å²	40.6	49%	0.492	21%	0.205	S	C	.	.	S	Bend	trans	-156.9	37.2	-172.2	-168.6	36.8	0	0	0	113.6	N315 N344	N315-D346 WeakPolarHBondContact CB-O 3.44Å; N315-D346 WeakPolarHBondContact CB-OD1 3.47Å; N315-D346 PolarHBondContact ND2-OD1 3.3Å; N344-D346 PolarHBondContact OD1-N 2.88Å
347	Q	98.3	Very high	97.7	Very high	39 Å²	39	38.8 Å²	38.8	18%	0.182	19%	0.192	C	C	.	.	S	Bend	trans	-106.8	143.9	169.1	-60.3	171	-15.3	0	0	109.5	F333 N344 S349	F333-Q347 PolarHBondContact O-NE2 2.86Å; N344-Q347 PolarHBondContact ND2-O 3Å; N344-Q347 WeakPolarHBondContact OD1-CB 3.45Å; N344-Q347 PolarHBondContact OD1-N 2.73Å; Q347-S349 PolarHBondContact O-N 3.38Å
348	P	98.6	Very high	97.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.186	C	C	.	.			trans	-60.3	138.7	175.6	27.9	-34.6	0	0	0	110.3	F318 F333 L338 E352 M353	F318-P348 HydrophobicContact CD1-CB 4.01Å; F318-P348 HydrophobicContact CD2-CB 4.34Å; F318-P348 HydrophobicContact CD2-CG 4.37Å; F318-P348 HydrophobicContact CE1-CB 4.1Å; F318-P348 HydrophobicContact CE2-CB 4.4Å; F318-P348 HydrophobicContact CG-CB 4.14Å; F318-P348 HydrophobicContact CG-CG 4.36Å; F318-P348 HydrophobicContact CZ-CB 4.29Å; F333-P348 HydrophobicContact CB-CG 4.18Å; F333-P348 HydrophobicContact CD1-CG 3.88Å; F333-P348 HydrophobicContact CD2-CG 3.45Å; F333-P348 VanDerWaalsContact CD2-CG 3.45Å; F333-P348 HydrophobicContact CE1-CG 4.14Å; F333-P348 HydrophobicContact CE2-CG 3.72Å; F333-P348 HydrophobicContact CG-CG 3.54Å; F333-P348 HydrophobicContact CZ-CG 4.07Å; L338-P348 WeakPolarHBondContact CD2-O 3.25Å; P348-E352 HydrophobicContact CB-CB 4.36Å; P348-M353 HydrophobicContact CB-CG 4.04Å; P348-M353 HydrophobicContact CG-CG 4.02Å; P348-M353 HydrophobicContact CG-SD 4.29Å
349	S	98.6	Very high	97.7	Very high	18 Å²	18	41.2 Å²	41.2	13%	0.126	20%	0.202	C	C	.	.			trans	-67.7	162	174.7	61.2	0	0	0	0	111.7	Q347 A351 E352 M353	Q347-S349 PolarHBondContact O-N 3.38Å; S349-A351 PolarHBondContact O-N 2.76Å; S349-E352 WeakPolarHBondContact CB-OE2 3.43Å; S349-E352 PolarHBondContact N-OE2 3.03Å; S349-E352 PolarHBondContact O-N 3.32Å; S349-E352 WeakPolarHBondContact OG-CB 3.48Å; S349-E352 VanDerWaalsContact OG-CG 3.25Å; S349-E352 WeakPolarHBondContact OG-CG 3.5Å; S349-E352 PolarHBondContact OG-N 3.46Å; S349-E352 VanDerWaalsContact OG-N 3.13Å; S349-E352 PolarHBondContact OG-OE2 2.75Å; S349-M353 WeakPolarHBondContact O-CG 3.4Å; S349-M353 PolarHBondContact O-N 3.42Å
350	L	98.9	Very high	97.7	Very high	6 Å²	6	39.9 Å²	39.9	3%	0.031	19%	0.191	C	C	.	.	H	α-helix	trans	-58.7	-37.1	173.6	-173.9	56.7	0	0	0	111.7	V213 T215 M353 T354 V372 F396 A399	V213-L350 HydrophobicContact CG1-CD1 3.68Å; T215-L350 HydrophobicContact CG2-CB 3.91Å; T215-L350 HydrophobicContact CG2-CD1 4.14Å; T215-L350 HydrophobicContact CG2-CD2 4.31Å; T215-L350 HydrophobicContact CG2-CG 4.34Å; L350-M353 HydrophobicContact CD1-CE 4.27Å; L350-T354 VanDerWaalsContact O-CB 3.3Å; L350-T354 WeakPolarHBondContact O-CB 3.44Å; L350-T354 PolarHBondContact O-N 2.96Å; L350-T354 PolarHBondContact O-OG1 3.16Å; L350-V372 HydrophobicContact CD1-CG1 3.69Å; L350-V372 HydrophobicContact CD2-CG1 4.21Å; L350-V372 HydrophobicContact CG-CG1 3.99Å; L350-F396 HydrophobicContact CD2-CB 4.46Å; L350-F396 HydrophobicContact CD2-CD2 3.93Å; L350-A399 HydrophobicContact CB-CB 4.3Å; L350-A399 HydrophobicContact CD2-CB 4.08Å; L350-A399 HydrophobicContact CG-CB 3.74Å
351	A	98.9	Very high	97.7	Very high	12 Å²	12	39.7 Å²	39.7	10%	0.099	19%	0.19	C	C	.	.	H	α-helix	trans	-64.7	-45.2	175.7	0	0	0	0	0	112.4	S349 T354 E355 K398 A399 K402	S349-A351 PolarHBondContact O-N 2.76Å; A351-T354 PolarHBondContact O-N 3.33Å; A351-E355 WeakPolarHBondContact O-CB 3.42Å; A351-E355 PolarHBondContact O-N 3.05Å; A351-K398 HydrophobicContact CB-CB 4.1Å; A351-A399 HydrophobicContact CB-CB 4.46Å; A351-K402 HydrophobicContact CB-CB 4.23Å
352	E	98.8	Very high	97.8	Very high	64 Å²	64	37.6 Å²	37.6	30%	0.299	19%	0.192	S	C	.	.	H	α-helix	trans	-62.3	-45.8	175.9	-76.1	165.1	130.1	0	0	111.5	F318 P348 S349 T354 E355 A356	F318-E352 HydrophobicContact CE1-CB 3.91Å; F318-E352 HydrophobicContact CZ-CB 4.07Å; F318-E352 WeakPolarHBondContact CZ-O 3.44Å; P348-E352 HydrophobicContact CB-CB 4.36Å; S349-E352 WeakPolarHBondContact CB-OE2 3.43Å; S349-E352 PolarHBondContact N-OE2 3.03Å; S349-E352 PolarHBondContact O-N 3.32Å; S349-E352 WeakPolarHBondContact OG-CB 3.48Å; S349-E352 VanDerWaalsContact OG-CG 3.25Å; S349-E352 WeakPolarHBondContact OG-CG 3.5Å; S349-E352 PolarHBondContact OG-N 3.46Å; S349-E352 VanDerWaalsContact OG-N 3.13Å; S349-E352 PolarHBondContact OG-OE2 2.75Å; E352-T354 VanDerWaalsContact C-N 3.32Å; E352-T354 PolarHBondContact O-N 3.36Å; E352-E355 WeakPolarHBondContact O-CB 3.05Å; E352-E355 PolarHBondContact O-N 3.41Å; E352-A356 PolarHBondContact O-N 2.91Å
353	M	98.9	Very high	97.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.3	-39.5	176	-69.5	-168	-67.1	0	0	111.8	V213 M266 F318 F333 L338 P348 S349 L350 A356 A357	V213-M353 HydrophobicContact CG1-CB 3.5Å; V213-M353 VanDerWaalsContact CG1-CB 3.5Å; V213-M353 HydrophobicContact CG1-CE 4.2Å; V213-M353 HydrophobicContact CG1-SD 4.44Å; M266-M353 HydrophobicContact CB-CG 4.4Å; M266-M353 HydrophobicContact CB-SD 3.86Å; M266-M353 HydrophobicContact CE-CB 3.93Å; M266-M353 HydrophobicContact CE-CG 4.48Å; M266-M353 WeakPolarHBondContact CE-O 3.31Å; F318-M353 HydrophobicContact CE2-CG 4.36Å; F333-M353 HydrophobicContact CD2-SD 3.76Å; F333-M353 HydrophobicContact CE2-CG 4.23Å; F333-M353 HydrophobicContact CE2-SD 3.76Å; L338-M353 HydrophobicContact CD2-CE 3.61Å; L338-M353 HydrophobicContact CD2-SD 4.37Å; P348-M353 HydrophobicContact CB-CG 4.04Å; P348-M353 HydrophobicContact CG-CG 4.02Å; P348-M353 HydrophobicContact CG-SD 4.29Å; S349-M353 WeakPolarHBondContact O-CG 3.4Å; S349-M353 PolarHBondContact O-N 3.42Å; L350-M353 HydrophobicContact CD1-CE 4.27Å; M353-A356 PolarHBondContact O-N 3Å; M353-A357 WeakPolarHBondContact O-CB 3.42Å; M353-A357 PolarHBondContact O-N 3.08Å
354	T	98.9	Very high	97.9	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-62.9	-44.4	175.4	-60.3	0	0	0	0	111.3	F105 L350 A351 E352 A357 I358 V372 A403	F105-T354 HydrophobicContact CE1-CG2 4.3Å; L350-T354 VanDerWaalsContact O-CB 3.3Å; L350-T354 WeakPolarHBondContact O-CB 3.44Å; L350-T354 PolarHBondContact O-N 2.96Å; L350-T354 PolarHBondContact O-OG1 3.16Å; A351-T354 PolarHBondContact O-N 3.33Å; E352-T354 VanDerWaalsContact C-N 3.32Å; E352-T354 PolarHBondContact O-N 3.36Å; T354-A357 PolarHBondContact O-N 3.42Å; T354-I358 HydrophobicContact CG2-CD1 3.92Å; T354-I358 WeakPolarHBondContact O-CG1 3.43Å; T354-I358 PolarHBondContact O-N 2.92Å; T354-V372 HydrophobicContact CG2-CG2 4.16Å; T354-V372 WeakPolarHBondContact OG1-CG1 3.34Å; T354-A403 HydrophobicContact CG2-CB 4.09Å
355	E	98.9	Very high	98	Very high	43 Å²	43	41 Å²	41	20%	0.201	21%	0.214	C	C	.	.	H	α-helix	trans	-58.9	-49	175.1	172.1	166.9	177.4	0	0	112.1	A351 E352 A357 I358 K359 K402 L406	A351-E355 WeakPolarHBondContact O-CB 3.42Å; A351-E355 PolarHBondContact O-N 3.05Å; E352-E355 WeakPolarHBondContact O-CB 3.05Å; E352-E355 PolarHBondContact O-N 3.41Å; E355-A357 VanDerWaalsContact C-N 3.32Å; E355-A357 PolarHBondContact O-N 3.16Å; E355-I358 PolarHBondContact O-N 3.22Å; E355-K359 HydrophobicContact CG-CD 4.13Å; E355-K359 WeakPolarHBondContact O-CB 3.46Å; E355-K359 WeakPolarHBondContact O-CG 3.39Å; E355-K359 PolarHBondContact O-N 3.03Å; E355-K359 WeakPolarHBondContact OE1-CE 3.44Å; E355-K359 IonicContact OE1-NZ 2.94Å; E355-K359 PolarHBondContact OE1-NZ 2.92Å; E355-K402 HydrophobicContact CB-CD 3.95Å; E355-K402 HydrophobicContact CB-CG 3.76Å; E355-K402 HydrophobicContact CG-CD 4.3Å; E355-K402 WeakPolarHBondContact OE2-CD 3.35Å; E355-K402 WeakPolarHBondContact OE2-CE 3.46Å; E355-K402 IonicContact OE2-NZ 2.73Å; E355-K402 PolarHBondContact OE2-NZ 2.99Å; E355-L406 HydrophobicContact CB-CD1 3.89Å; E355-L406 HydrophobicContact CG-CD1 3.79Å
356	A	98.9	Very high	98.3	Very high	2 Å²	2	38.3 Å²	38.3	2%	0.017	20%	0.199	C	C	.	.	H	α-helix	trans	-61.4	-41.7	177.8	0	0	0	0	0	111.7	M266 F318 W323 E352 M353 K359 V360	M266-A356 HydrophobicContact CE-CB 4.04Å; F318-A356 HydrophobicContact CE2-CB 3.71Å; F318-A356 HydrophobicContact CZ-CB 3.61Å; W323-A356 HydrophobicContact CD2-CB 3.89Å; W323-A356 HydrophobicContact CE3-CB 4.25Å; W323-A356 HydrophobicContact CH2-CB 3.95Å; W323-A356 HydrophobicContact CZ2-CB 3.56Å; W323-A356 HydrophobicContact CZ3-CB 4.28Å; E352-A356 PolarHBondContact O-N 2.91Å; M353-A356 PolarHBondContact O-N 3Å; A356-K359 PolarHBondContact O-N 3.23Å; A356-V360 WeakPolarHBondContact O-CG2 3.31Å; A356-V360 PolarHBondContact O-N 3.3Å; A356-V360 VanDerWaalsContact O-N 3.14Å
357	A	98.9	Very high	98.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-60	-52	175.7	0	0	0	0	0	111.1	V213 V264 M266 M353 T354 E355 K359 V360 L361 L370	V213-A357 HydrophobicContact CG2-CB 3.71Å; V264-A357 HydrophobicContact CB-CB 4.4Å; V264-A357 HydrophobicContact CG1-CB 3.84Å; M266-A357 HydrophobicContact CE-CB 4.08Å; M353-A357 WeakPolarHBondContact O-CB 3.42Å; M353-A357 PolarHBondContact O-N 3.08Å; T354-A357 PolarHBondContact O-N 3.42Å; E355-A357 VanDerWaalsContact C-N 3.32Å; E355-A357 PolarHBondContact O-N 3.16Å; A357-K359 VanDerWaalsContact C-N 3.31Å; A357-K359 PolarHBondContact O-N 3.41Å; A357-V360 PolarHBondContact O-N 3.41Å; A357-L361 HydrophobicContact CB-CD1 4.4Å; A357-L361 WeakPolarHBondContact O-CB 3.37Å; A357-L361 WeakPolarHBondContact O-CG 3.45Å; A357-L361 PolarHBondContact O-N 2.8Å; A357-L370 HydrophobicContact CB-CD1 3.93Å; A357-L370 HydrophobicContact CB-CD2 4.09Å
358	I	98.9	Very high	98.5	Very high	3 Å²	3	32.3 Å²	32.3	2%	0.015	17%	0.169	C	C	.	.	H	α-helix	trans	-59.8	-41	179.7	-66.3	167.3	0	0	0	111.1	I103 T354 E355 V360 L361 S362 L370 A403 L406 V407	I103-I358 HydrophobicContact CD1-CD1 3.96Å; I103-I358 HydrophobicContact CD1-CG1 4.29Å; T354-I358 HydrophobicContact CG2-CD1 3.92Å; T354-I358 WeakPolarHBondContact O-CG1 3.43Å; T354-I358 PolarHBondContact O-N 2.92Å; E355-I358 PolarHBondContact O-N 3.22Å; I358-V360 VanDerWaalsContact C-N 3.26Å; I358-V360 PolarHBondContact O-N 3.44Å; I358-L361 PolarHBondContact O-N 2.69Å; I358-S362 WeakPolarHBondContact O-CB 3.38Å; I358-S362 PolarHBondContact O-N 3.27Å; I358-S362 PolarHBondContact O-OG 2.8Å; I358-L370 HydrophobicContact CD1-CD2 4.49Å; I358-L370 HydrophobicContact CG1-CD2 3.82Å; I358-A403 HydrophobicContact CD1-CB 3.6Å; I358-L406 HydrophobicContact CB-CD1 4.36Å; I358-L406 HydrophobicContact CD1-CB 4.4Å; I358-L406 HydrophobicContact CD1-CD1 4.3Å; I358-L406 HydrophobicContact CG2-CB 3.88Å; I358-L406 HydrophobicContact CG2-CD1 4.43Å; I358-V407 HydrophobicContact CD1-CG1 4.22Å; I358-V407 HydrophobicContact CG2-CG1 4Å
359	K	98.8	Very high	98.5	Very high	85 Å²	85	32.5 Å²	32.5	37%	0.37	17%	0.17	S	C	.	.	H	α-helix	trans	-61	-30.8	176.3	-75.2	176.5	-178.9	174.9	0	113.9	W323 E355 A356 A357 R363	W323-K359 HydrophobicContact CB-CB 4.02Å; W323-K359 HydrophobicContact CG-CB 4.49Å; E355-K359 HydrophobicContact CG-CD 4.13Å; E355-K359 WeakPolarHBondContact O-CB 3.46Å; E355-K359 WeakPolarHBondContact O-CG 3.39Å; E355-K359 PolarHBondContact O-N 3.03Å; E355-K359 WeakPolarHBondContact OE1-CE 3.44Å; E355-K359 IonicContact OE1-NZ 2.94Å; E355-K359 PolarHBondContact OE1-NZ 2.92Å; A356-K359 PolarHBondContact O-N 3.23Å; A357-K359 VanDerWaalsContact C-N 3.31Å; A357-K359 PolarHBondContact O-N 3.41Å; K359-R363 PolarHBondContact O-NH1 2.92Å
360	V	98.8	Very high	98.6	Very high	5 Å²	5	31.6 Å²	31.6	3%	0.03	16%	0.164	C	C	.	.	H	α-helix	trans	-79.9	-49.4	174.7	175	0	0	0	0	111.1	V264 W323 V329 A356 A357 I358	V264-V360 HydrophobicContact CG2-CB 3.69Å; V264-V360 HydrophobicContact CG2-CG1 3.62Å; V264-V360 HydrophobicContact CG2-CG2 4.27Å; W323-V360 HydrophobicContact CB-CG2 4.26Å; W323-V360 HydrophobicContact CE3-CG2 3.99Å; V329-V360 HydrophobicContact CG2-CG2 4.24Å; A356-V360 WeakPolarHBondContact O-CG2 3.31Å; A356-V360 PolarHBondContact O-N 3.3Å; A356-V360 VanDerWaalsContact O-N 3.14Å; A357-V360 PolarHBondContact O-N 3.41Å; I358-V360 VanDerWaalsContact C-N 3.26Å; I358-V360 PolarHBondContact O-N 3.44Å
361	L	98.9	Very high	98.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-74.6	-37.3	-169.4	-59.6	175.6	0	0	0	113.6	T210 N263 V264 A357 I358 R363 N364 F368 L370	T210-L361 WeakPolarHBondContact O-CD2 3.4Å; N263-L361 HydrophobicContact CB-CD2 3.53Å; V264-L361 HydrophobicContact CB-CD2 4.46Å; V264-L361 HydrophobicContact CG2-CD2 3.96Å; V264-L361 HydrophobicContact CG2-CG 4.19Å; A357-L361 HydrophobicContact CB-CD1 4.4Å; A357-L361 WeakPolarHBondContact O-CB 3.37Å; A357-L361 WeakPolarHBondContact O-CG 3.45Å; A357-L361 PolarHBondContact O-N 2.8Å; I358-L361 PolarHBondContact O-N 2.69Å; L361-R363 PolarHBondContact O-N 3.06Å; L361-R363 VanDerWaalsContact O-N 3.09Å; L361-N364 PolarHBondContact O-N 3.38Å; L361-N364 VanDerWaalsContact O-N 3.16Å; L361-F368 HydrophobicContact CB-CB 3.7Å; L361-F368 HydrophobicContact CB-CD1 4.18Å; L361-F368 HydrophobicContact CB-CD2 4.04Å; L361-F368 HydrophobicContact CB-CG 3.72Å; L361-F368 HydrophobicContact CD1-CB 4.49Å; L361-F368 HydrophobicContact CD1-CD2 4.03Å; L361-F368 HydrophobicContact CD1-CG 4.47Å; L361-L370 HydrophobicContact CD1-CB 3.97Å; L361-L370 HydrophobicContact CD1-CD1 3.94Å; L361-L370 HydrophobicContact CD1-CD2 4.38Å; L361-L370 HydrophobicContact CD1-CG 4.31Å
362	S	98.3	Very high	98.6	Very high	65 Å²	65	31 Å²	31	46%	0.455	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-13.7	-177.1	56.9	0	0	0	0	114.4	I358 N364	I358-S362 WeakPolarHBondContact O-CB 3.38Å; I358-S362 PolarHBondContact O-N 3.27Å; I358-S362 PolarHBondContact O-OG 2.8Å; S362-N364 PolarHBondContact O-N 3.5Å
363	R	97.7	Very high	98.6	Very high	90 Å²	90	27.9 Å²	27.9	34%	0.34	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-13.1	176.2	-61.3	-163.2	-55.3	-90.9	5.1	113.7	W323 V326 D327 K359 L361 P365	W323-R363 PolarHBondContact O-NH1 3.28Å; V326-R363 PolarHBondContact O-NH2 3.03Å; D327-R363 IonicContact OD1-NH2 2.76Å; D327-R363 PolarHBondContact OD1-NH2 3.4Å; K359-R363 PolarHBondContact O-NH1 2.92Å; L361-R363 PolarHBondContact O-N 3.06Å; L361-R363 VanDerWaalsContact O-N 3.09Å; R363-P365 WeakPolarHBondContact O-CD 3.18Å
364	N	98.1	Very high	98.6	Very high	35 Å²	35	28 Å²	28	19%	0.187	15%	0.146	C	C	.	.			trans	-82	116	178.3	-173.4	-16.5	0	0	0	110.1	G207 S209 L361 S362 K366 G367	G207-N364 PolarHBondContact O-ND2 2.92Å; S209-N364 PolarHBondContact N-ND2 3.28Å; S209-N364 VanDerWaalsContact OG-CB 3.27Å; S209-N364 WeakPolarHBondContact OG-CB 3.33Å; S209-N364 PolarHBondContact OG-ND2 3.44Å; S209-N364 VanDerWaalsContact OG-ND2 3.09Å; L361-N364 PolarHBondContact O-N 3.38Å; L361-N364 VanDerWaalsContact O-N 3.16Å; S362-N364 PolarHBondContact O-N 3.5Å; N364-K366 PolarHBondContact O-N 3.1Å; N364-K366 VanDerWaalsContact O-N 3.08Å; N364-K366 WeakPolarHBondContact OD1-CB 3.26Å; N364-K366 PolarHBondContact OD1-N 3.16Å; N364-G367 PolarHBondContact O-N 2.79Å
365	P	97.3	Very high	98.6	Very high	128 Å²	128	28 Å²	28	83%	0.831	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-8.3	-178	29.7	-37.5	0	0	0	114.1	R363 G367	R363-P365 WeakPolarHBondContact O-CD 3.18Å; P365-G367 VanDerWaalsContact C-N 3.32Å
366	K	96.7	Very high	98.6	Very high	118 Å²	118	27.2 Å²	27.2	51%	0.513	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-18.7	168	-75.9	-174.5	166.6	-174.7	0	112.9	A206 G207 F208 N364	A206-K366 PolarHBondContact O-NZ 3.49Å; G207-K366 WeakPolarHBondContact O-CD 3.34Å; F208-K366 WeakPolarHBondContact CD1-O 3.36Å; F208-K366 WeakPolarHBondContact CE1-O 3.37Å; N364-K366 PolarHBondContact O-N 3.1Å; N364-K366 VanDerWaalsContact O-N 3.08Å; N364-K366 WeakPolarHBondContact OD1-CB 3.26Å; N364-K366 PolarHBondContact OD1-N 3.16Å
367	G	98.5	Very high	98.6	Very high	3 Å²	3	27.1 Å²	27.1	3%	0.031	14%	0.14	C	C	.	.			trans	97.8	-171.6	-172.3	0	0	0	0	0	113.3	E100 N101 S209 N364 P365	E100-G367 WeakPolarHBondContact O-CA 3.47Å; N101-G367 WeakPolarHBondContact OD1-CA 3.27Å; S209-G367 PolarHBondContact N-O 3.38Å; S209-G367 VanDerWaalsContact N-O 3.12Å; N364-G367 PolarHBondContact O-N 2.79Å; P365-G367 VanDerWaalsContact C-N 3.32Å
368	F	98.9	Very high	98.6	Very high	1 Å²	1	27.2 Å²	27.2	0%	0.004	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	159.9	-176.5	67.1	-89.8	0	0	0	115.4	N101 V102 I103 S209 L361 L370 V407	N101-F368 CarbonylContact C-O 3.57Å; N101-F368 VanDerWaalsContact CA-O 3.29Å; N101-F368 WeakPolarHBondContact CA-O 3.05Å; N101-F368 HydrophobicContact CB-CD1 3.97Å; N101-F368 HydrophobicContact CB-CE1 3.71Å; N101-F368 HydrophobicContact CB-CE2 4.32Å; N101-F368 HydrophobicContact CB-CG 4.36Å; N101-F368 HydrophobicContact CB-CZ 3.9Å; N101-F368 VanDerWaalsContact CG-CD1 3.5Å; N101-F368 WeakPolarHBondContact OD1-CD1 3.24Å; N101-F368 VanDerWaalsContact OD1-CE1 3.31Å; N101-F368 WeakPolarHBondContact OD1-CE1 3.39Å; N101-F368 PolarHBondContact OD1-N 3.19Å; V102-F368 PolarHBondContact N-O 3.1Å; I103-F368 HydrophobicContact CD1-CE2 3.87Å; I103-F368 HydrophobicContact CD1-CZ 4.1Å; I103-F368 HydrophobicContact CG1-CE2 3.75Å; I103-F368 HydrophobicContact CG1-CZ 4.31Å; S209-F368 CarbonylContact O-C 3.14Å; S209-F368 WeakPolarHBondContact O-CA 3.28Å; S209-F368 WeakPolarHBondContact O-CB 3.12Å; L361-F368 HydrophobicContact CB-CB 3.7Å; L361-F368 HydrophobicContact CB-CD1 4.18Å; L361-F368 HydrophobicContact CB-CD2 4.04Å; L361-F368 HydrophobicContact CB-CG 3.72Å; L361-F368 HydrophobicContact CD1-CB 4.49Å; L361-F368 HydrophobicContact CD1-CD2 4.03Å; L361-F368 HydrophobicContact CD1-CG 4.47Å; F368-L370 HydrophobicContact CD2-CB 3.98Å; F368-L370 HydrophobicContact CE2-CB 4.08Å; F368-V407 HydrophobicContact CZ-CG1 4.15Å
369	L	98.9	Very high	98.6	Very high	4 Å²	4	28.2 Å²	28.2	2%	0.021	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	118.3	168.3	174.8	62.2	0	0	0	109.7	V102 I200 A203 S209 T210 G211 T524 L528	V102-L369 HydrophobicContact CB-CD1 3.65Å; V102-L369 HydrophobicContact CG1-CD1 3.7Å; V102-L369 WeakPolarHBondContact O-CA 3.35Å; I200-L369 HydrophobicContact CD1-CB 4.4Å; I200-L369 HydrophobicContact CD1-CD2 3.82Å; I200-L369 HydrophobicContact CD1-CG 3.65Å; I200-L369 HydrophobicContact CG1-CD2 4.17Å; I200-L369 HydrophobicContact CG1-CG 4.49Å; A203-L369 HydrophobicContact CB-CB 4.04Å; A203-L369 HydrophobicContact CB-CD2 3.98Å; S209-L369 PolarHBondContact O-N 2.95Å; T210-L369 VanDerWaalsContact CA-O 3.26Å; T210-L369 WeakPolarHBondContact CA-O 3.38Å; T210-L369 HydrophobicContact CG2-CB 4.41Å; G211-L369 PolarHBondContact N-O 3.32Å; L369-T524 HydrophobicContact CD1-CG2 3.68Å; L369-T524 HydrophobicContact CD2-CG2 3.96Å; L369-T524 HydrophobicContact CG-CG2 4.5Å; L369-L528 HydrophobicContact CB-CD1 4Å; L369-L528 HydrophobicContact CD1-CD1 4.42Å; L369-L528 HydrophobicContact CD2-CD1 4.43Å
370	L	98.9	Very high	98.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	126.4	-177.7	174.1	61	0	0	0	110.7	V102 I103 L104 V213 A357 I358 L361 F368 V372	V102-L370 PolarHBondContact O-N 2.88Å; I103-L370 WeakPolarHBondContact CA-O 3.29Å; I103-L370 HydrophobicContact CD1-CD2 4.46Å; I103-L370 HydrophobicContact CG1-CB 4.38Å; I103-L370 HydrophobicContact CG2-CB 4.12Å; I103-L370 HydrophobicContact CG2-CD2 4.07Å; I103-L370 HydrophobicContact CG2-CG 4.07Å; L104-L370 PolarHBondContact N-O 2.88Å; V213-L370 HydrophobicContact CG2-CD1 4.03Å; A357-L370 HydrophobicContact CB-CD1 3.93Å; A357-L370 HydrophobicContact CB-CD2 4.09Å; I358-L370 HydrophobicContact CD1-CD2 4.49Å; I358-L370 HydrophobicContact CG1-CD2 3.82Å; L361-L370 HydrophobicContact CD1-CB 3.97Å; L361-L370 HydrophobicContact CD1-CD1 3.94Å; L361-L370 HydrophobicContact CD1-CD2 4.38Å; L361-L370 HydrophobicContact CD1-CG 4.31Å; F368-L370 HydrophobicContact CD2-CB 3.98Å; F368-L370 HydrophobicContact CE2-CB 4.08Å; L370-V372 HydrophobicContact CD1-CG2 4.22Å; L370-V372 HydrophobicContact CD2-CG2 3.86Å; L370-V372 HydrophobicContact CG-CG2 3.72Å
371	L	98.9	Very high	98.6	Very high	4 Å²	4	24 Å²	24	2%	0.021	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	127.4	166.3	176.1	68.1	0	0	0	109.1	L104 I106 F165 M166 G211 I212 V213	L104-L371 HydrophobicContact CB-CD1 4.44Å; L104-L371 HydrophobicContact CD2-CD1 4.17Å; L104-L371 HydrophobicContact CG-CD1 4.18Å; L104-L371 WeakPolarHBondContact O-CA 3.31Å; I106-L371 HydrophobicContact CG1-CD1 3.7Å; F165-L371 HydrophobicContact CE2-CD1 4.27Å; M166-L371 HydrophobicContact CE-CD2 4.33Å; M166-L371 HydrophobicContact SD-CD2 3.8Å; G211-L371 PolarHBondContact O-N 3.19Å; I212-L371 HydrophobicContact CG2-CD2 4.41Å; V213-L371 PolarHBondContact N-O 3.16Å
372	V	99	Very high	98.5	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	123.7	175	-175.1	0	0	0	0	109.1	I103 L104 F105 I106 V213 L350 T354 L370 A399	I103-V372 HydrophobicContact CG2-CG2 4.05Å; L104-V372 PolarHBondContact O-N 3.09Å; F105-V372 CarbonylContact C-O 3.57Å; F105-V372 VanDerWaalsContact CA-O 3.3Å; F105-V372 WeakPolarHBondContact CA-O 3Å; F105-V372 HydrophobicContact CD1-CB 3.55Å; F105-V372 HydrophobicContact CD1-CG1 3.8Å; F105-V372 HydrophobicContact CD1-CG2 4.06Å; F105-V372 HydrophobicContact CE1-CB 3.75Å; F105-V372 HydrophobicContact CE1-CG1 3.89Å; F105-V372 HydrophobicContact CE1-CG2 3.77Å; F105-V372 HydrophobicContact CG-CB 4.38Å; F105-V372 HydrophobicContact CZ-CG2 4.39Å; I106-V372 PolarHBondContact N-O 3.26Å; V213-V372 CarbonylContact O-C 3.42Å; V213-V372 WeakPolarHBondContact O-CA 3.47Å; L350-V372 HydrophobicContact CD1-CG1 3.69Å; L350-V372 HydrophobicContact CD2-CG1 4.21Å; L350-V372 HydrophobicContact CG-CG1 3.99Å; T354-V372 HydrophobicContact CG2-CG2 4.16Å; T354-V372 WeakPolarHBondContact OG1-CG1 3.34Å; L370-V372 HydrophobicContact CD1-CG2 4.22Å; L370-V372 HydrophobicContact CD2-CG2 3.86Å; L370-V372 HydrophobicContact CG-CG2 3.72Å; V372-A399 HydrophobicContact CG1-CB 4.43Å
373	E	98.9	Very high	98.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	123.1	-174.2	-174.5	-158.1	175.6	0	0	112.5	I106 D108 V213 T214 T215 T222 P223 G375	I106-E373 HydrophobicContact CB-CG 4.49Å; I106-E373 CarbonylContact O-C 3.5Å; I106-E373 VanDerWaalsContact O-CA 3.28Å; I106-E373 WeakPolarHBondContact O-CA 3.18Å; D108-E373 HydrophobicContact CB-CG 4.45Å; V213-E373 PolarHBondContact O-N 3.05Å; T214-E373 WeakPolarHBondContact CA-O 3.14Å; T214-E373 WeakPolarHBondContact CB-OE2 3.26Å; T214-E373 VanDerWaalsContact OG1-CD 3.26Å; T214-E373 PolarHBondContact OG1-OE2 3.39Å; T215-E373 PolarHBondContact N-O 2.9Å; T215-E373 VanDerWaalsContact N-O 3.16Å; T222-E373 WeakPolarHBondContact CB-OE1 3.49Å; T222-E373 HydrophobicContact CG2-CG 3.99Å; P223-E373 VanDerWaalsContact CD-OE2 3.28Å; P223-E373 WeakPolarHBondContact CD-OE2 3.46Å; E373-G375 VanDerWaalsContact C-N 3.27Å; E373-G375 PolarHBondContact O-N 2.54Å
374	G	98.9	Very high	98.6	Very high	2 Å²	2	20.9 Å²	20.9	2%	0.021	11%	0.109	C	C	.	.			trans	-83.4	59.5	167.2	0	0	0	0	0	112.3	I106 R376 I377	I106-G374 PolarHBondContact O-N 3.06Å; G374-R376 PolarHBondContact O-N 3.47Å; G374-R376 VanDerWaalsContact O-N 3.08Å; G374-I377 WeakPolarHBondContact O-CG1 3.43Å; G374-I377 PolarHBondContact O-N 3.14Å; G374-I377 VanDerWaalsContact O-N 3.15Å
375	G	98.8	Very high	98.6	Very high	1 Å²	1	22 Å²	22	1%	0.01	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-13.9	-169.8	0	0	0	0	0	115.9	T215 E373 H379	T215-G375 PolarHBondContact OG1-N 2.97Å; E373-G375 VanDerWaalsContact C-N 3.27Å; E373-G375 PolarHBondContact O-N 2.54Å; G375-H379 PolarHBondContact O-CE1 2.86Å; G375-H379 PolarHBondContact O-ND1 3.08Å
376	R	98.8	Very high	98.7	Very high	25 Å²	25	16.3 Å²	16.3	9%	0.094	7%	0.074	C	C	.	.	H	α-helix	trans	-81	-13.8	176.6	-63.5	-57	-64.7	167.1	-8.9	113.4	T215 L338 Y340 G374 H379 G380 E392	T215-R376 PolarHBondContact OG1-N 3.35Å; L338-R376 WeakPolarHBondContact O-CD 3.39Å; L338-R376 PolarHBondContact O-NE 3.39Å; Y340-R376 HydrophobicContact CD1-CB 3.89Å; Y340-R376 HydrophobicContact CD1-CG 4.43Å; Y340-R376 HydrophobicContact CE1-CB 3.9Å; Y340-R376 WeakPolarHBondContact CE1-O 3.49Å; Y340-R376 PolarHBondContact OH-NH2 2.96Å; G374-R376 PolarHBondContact O-N 3.47Å; G374-R376 VanDerWaalsContact O-N 3.08Å; R376-H379 PolarHBondContact NH1-ND1 3.15Å; R376-H379 PolarHBondContact O-N 3.21Å; R376-G380 PolarHBondContact O-N 3.11Å; R376-E392 HydrophobicContact CB-CB 4.4Å; R376-E392 HydrophobicContact CB-CG 3.64Å; R376-E392 WeakPolarHBondContact CB-OE2 3.46Å
377	I	98.9	Very high	98.8	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-59.4	-52.5	173.5	-61.2	169.5	0	0	0	109.8	D108 M110 T114 G374 H379 G380 N381 E392 F396	D108-I377 WeakPolarHBondContact O-CB 3.49Å; M110-I377 HydrophobicContact CB-CD1 4.45Å; M110-I377 HydrophobicContact CB-CG2 4.33Å; T114-I377 HydrophobicContact CG2-CG2 3.84Å; G374-I377 WeakPolarHBondContact O-CG1 3.43Å; G374-I377 PolarHBondContact O-N 3.14Å; G374-I377 VanDerWaalsContact O-N 3.15Å; I377-H379 PolarHBondContact O-N 3.45Å; I377-G380 PolarHBondContact O-N 2.93Å; I377-N381 PolarHBondContact O-N 2.87Å; I377-N381 VanDerWaalsContact O-N 3.08Å; I377-E392 HydrophobicContact CG1-CB 3.64Å; I377-F396 HydrophobicContact CD1-CB 4.09Å; I377-F396 HydrophobicContact CD1-CD1 4.49Å; I377-F396 HydrophobicContact CD1-CG 4.33Å
378	D	98.8	Very high	98.8	Very high	3 Å²	3	12.3 Å²	12.3	2%	0.016	6%	0.056	C	C	.	.	H	α-helix	trans	-57	-44.4	177	-177.9	51.9	0	0	0	112.9	D108 G380 N381 H382 H420 H422 H494	D108-D378 HydrophobicContact CB-CB 4Å; D108-D378 WeakPolarHBondContact O-CA 3.08Å; D108-D378 WeakPolarHBondContact O-CB 3.43Å; D108-D378 PolarHBondContact O-N 3.4Å; D108-D378 VanDerWaalsContact OD1-CB 3.24Å; D108-D378 WeakPolarHBondContact OD1-CB 3.41Å; D378-G380 VanDerWaalsContact C-N 3.34Å; D378-G380 PolarHBondContact O-N 3.39Å; D378-N381 PolarHBondContact O-N 3.21Å; D378-N381 VanDerWaalsContact O-N 3.16Å; D378-H382 VanDerWaalsContact CG-CD2 3.48Å; D378-H382 WeakPolarHBondContact O-CB 3.48Å; D378-H382 PolarHBondContact O-N 2.84Å; D378-H382 IonicContact OD1-CD2 2.84Å; D378-H382 PolarHBondContact OD1-CD2 2.95Å; D378-H382 IonicContact OD1-NE2 3.18Å; D378-H382 IonicContact OD2-CD2 3.7Å; D378-H382 PolarHBondContact OD2-CD2 3.33Å; D378-H382 IonicContact OD2-NE2 3.18Å; D378-H382 PolarHBondContact OD2-NE2 2.92Å; D378-H420 IonicContact OD1-CE1 2.76Å; D378-H420 PolarHBondContact OD1-CE1 2.79Å; D378-H422 IonicContact OD1-CD2 3.09Å; D378-H422 PolarHBondContact OD1-CD2 3.49Å; D378-H422 IonicContact OD1-NE2 3.89Å; D378-H422 PolarHBondContact OD1-NE2 2.81Å; D378-H494 IonicContact OD1-CD2 2.78Å; D378-H494 IonicContact OD1-NE2 3.8Å
379	H	98.8	Very high	98.8	Very high	24 Å²	24	12.2 Å²	12.2	11%	0.111	6%	0.056	C	C	.	.	H	α-helix	trans	-61.4	-42.3	177.5	-63.1	116	0	0	0	112.3	H337 Y340 G375 R376 I377 N381 H382 E383	H337-H379 AromaticContact CD2-CE1 3.98Å; H337-H379 AromaticContact CD2-NE2 3.94Å; H337-H379 AromaticContact CE1-CE1 3.43Å; H337-H379 PolarHBondContact CE1-CE1 3.24Å; H337-H379 VanDerWaalsContact CE1-CE1 3.43Å; H337-H379 AromaticContact CE1-NE2 3.42Å; H337-H379 PolarHBondContact CE1-NE2 3.31Å; H337-H379 AromaticContact CG-CE1 3.93Å; H337-H379 AromaticContact ND1-CE1 3.6Å; H337-H379 AromaticContact NE2-CE1 3.71Å; H337-H379 AromaticContact NE2-NE2 3.38Å; H337-H379 PolarHBondContact NE2-NE2 3.06Å; Y340-H379 HydrophobicContact CE1-CB 4.35Å; Y340-H379 VanDerWaalsContact OH-CB 3.22Å; Y340-H379 WeakPolarHBondContact OH-CB 3.32Å; Y340-H379 PolarHBondContact OH-O 3.48Å; G375-H379 PolarHBondContact O-CE1 2.86Å; G375-H379 PolarHBondContact O-ND1 3.08Å; R376-H379 PolarHBondContact NH1-ND1 3.15Å; R376-H379 PolarHBondContact O-N 3.21Å; I377-H379 PolarHBondContact O-N 3.45Å; H379-N381 VanDerWaalsContact C-N 3.29Å; H379-N381 PolarHBondContact O-N 2.87Å; H379-H382 PolarHBondContact O-N 3.28Å; H379-E383 WeakPolarHBondContact O-CB 3.22Å; H379-E383 VanDerWaalsContact O-CG 3.24Å; H379-E383 WeakPolarHBondContact O-CG 3.19Å; H379-E383 PolarHBondContact O-N 3.28Å
380	G	98.7	Very high	98.8	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-60.5	-41.8	175.7	0	0	0	0	0	111.4	Y340 R376 I377 D378 E383 N384 R385	Y340-G380 PolarHBondContact OH-N 3.08Å; Y340-G380 VanDerWaalsContact OH-N 3.13Å; R376-G380 PolarHBondContact O-N 3.11Å; I377-G380 PolarHBondContact O-N 2.93Å; D378-G380 VanDerWaalsContact C-N 3.34Å; D378-G380 PolarHBondContact O-N 3.39Å; G380-E383 PolarHBondContact O-N 3.1Å; G380-N384 PolarHBondContact O-N 2.86Å; G380-R385 PolarHBondContact O-N 2.85Å
381	N	98.8	Very high	98.7	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-68.7	-43.9	176.9	-74	-35.4	0	0	0	112.5	G109 I377 D378 H379 E383 N384 A389 H422 F456	G109-N381 PolarHBondContact O-ND2 3.23Å; I377-N381 PolarHBondContact O-N 2.87Å; I377-N381 VanDerWaalsContact O-N 3.08Å; D378-N381 PolarHBondContact O-N 3.21Å; D378-N381 VanDerWaalsContact O-N 3.16Å; H379-N381 VanDerWaalsContact C-N 3.29Å; H379-N381 PolarHBondContact O-N 2.87Å; N381-E383 PolarHBondContact O-N 2.93Å; N381-N384 PolarHBondContact O-N 3.17Å; N381-N384 PolarHBondContact O-OD1 3.4Å; N381-A389 WeakPolarHBondContact OD1-CB 3.27Å; N381-H422 HydrophobicContact CB-CB 4.01Å; N381-H422 VanDerWaalsContact CB-CD2 3.4Å; N381-H422 WeakPolarHBondContact CB-CD2 3.46Å; N381-F456 HydrophobicContact CB-CE1 4.27Å; N381-F456 WeakPolarHBondContact O-CE1 3.27Å
382	H	98.6	Very high	98.7	Very high	34 Å²	34	12.6 Å²	12.6	16%	0.157	6%	0.058	C	C	.	.	H	α-helix	trans	-55.3	-37.8	173.7	-90.3	-47.1	0	0	0	113	D378 H379 N384 H422 P460 T491 S492 H494	D378-H382 VanDerWaalsContact CG-CD2 3.48Å; D378-H382 WeakPolarHBondContact O-CB 3.48Å; D378-H382 PolarHBondContact O-N 2.84Å; D378-H382 IonicContact OD1-CD2 2.84Å; D378-H382 PolarHBondContact OD1-CD2 2.95Å; D378-H382 IonicContact OD1-NE2 3.18Å; D378-H382 IonicContact OD2-CD2 3.7Å; D378-H382 PolarHBondContact OD2-CD2 3.33Å; D378-H382 IonicContact OD2-NE2 3.18Å; D378-H382 PolarHBondContact OD2-NE2 2.92Å; H379-H382 PolarHBondContact O-N 3.28Å; H382-N384 VanDerWaalsContact C-N 3.29Å; H382-N384 PolarHBondContact O-N 3.45Å; H382-H422 AromaticContact CD2-NE2 3.97Å; H382-H422 AromaticContact CE1-NE2 3.71Å; H382-H422 AromaticContact CG-NE2 3.6Å; H382-H422 PolarHBondContact N-NE2 2.88Å; H382-H422 AromaticContact ND1-CE1 3.81Å; H382-H422 AromaticContact ND1-NE2 3.43Å; H382-H422 PolarHBondContact ND1-NE2 3.07Å; H382-P460 WeakPolarHBondContact O-CD 3.24Å; H382-T491 VanDerWaalsContact CB-OG1 3.3Å; H382-T491 WeakPolarHBondContact CB-OG1 3.36Å; H382-T491 PolarHBondContact ND1-OG1 2.71Å; H382-T491 VanDerWaalsContact ND1-OG1 3.17Å; H382-T491 PolarHBondContact O-OG1 3.3Å; H382-S492 PolarHBondContact CE1-O 3.37Å; H382-S492 PolarHBondContact ND1-O 2.86Å; H382-S492 PolarHBondContact O-N 3.31Å; H382-H494 AromaticContact CE1-CD2 3.46Å; H382-H494 PolarHBondContact CE1-CD2 3.11Å; H382-H494 VanDerWaalsContact CE1-CD2 3.46Å; H382-H494 AromaticContact CE1-NE2 3.32Å; H382-H494 PolarHBondContact CE1-NE2 2.88Å; H382-H494 VanDerWaalsContact CE1-NE2 3.32Å; H382-H494 AromaticContact NE2-CD2 3.68Å; H382-H494 AromaticContact NE2-NE2 3.15Å; H382-H494 PolarHBondContact NE2-NE2 3.27Å; H382-H494 VanDerWaalsContact NE2-NE2 3.15Å
383	E	98.6	Very high	98.7	Very high	56 Å²	56	12.6 Å²	12.6	26%	0.262	6%	0.058	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-0.4	179.1	-67.9	170	-160	0	0	113.5	Y340 H379 G380 N381 R385 T482	Y340-E383 PolarHBondContact OH-OE1 3.3Å; Y340-E383 PolarHBondContact OH-OE2 3.21Å; Y340-E383 VanDerWaalsContact OH-OE2 3.13Å; H379-E383 WeakPolarHBondContact O-CB 3.22Å; H379-E383 VanDerWaalsContact O-CG 3.24Å; H379-E383 WeakPolarHBondContact O-CG 3.19Å; H379-E383 PolarHBondContact O-N 3.28Å; G380-E383 PolarHBondContact O-N 3.1Å; N381-E383 PolarHBondContact O-N 2.93Å; E383-R385 HydrophobicContact CB-CB 4.38Å; E383-R385 HydrophobicContact CB-CG 3.89Å; E383-R385 WeakPolarHBondContact O-CG 3.23Å; E383-R385 PolarHBondContact O-N 2.96Å; E383-R385 IonicContact OE2-CZ 3.56Å; E383-R385 IonicContact OE2-NE 3.41Å; E383-R385 IonicContact OE2-NH1 3.4Å; E383-R385 PolarHBondContact OE2-NH1 3.33Å; E383-T482 WeakPolarHBondContact O-CG2 3.18Å
384	N	98.5	Very high	98.7	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	36.8	-169.5	-68.3	-4.7	0	0	0	113.3	G380 N381 H382 F456 N458 P460 T482 A483 S485 S492	G380-N384 PolarHBondContact O-N 2.86Å; N381-N384 PolarHBondContact O-N 3.17Å; N381-N384 PolarHBondContact O-OD1 3.4Å; H382-N384 VanDerWaalsContact C-N 3.29Å; H382-N384 PolarHBondContact O-N 3.45Å; N384-F456 HydrophobicContact CB-CB 4.48Å; N384-F456 HydrophobicContact CB-CD1 4.37Å; N384-F456 HydrophobicContact CB-CD2 3.89Å; N384-F456 HydrophobicContact CB-CE2 4.17Å; N384-F456 HydrophobicContact CB-CG 3.99Å; N384-F456 VanDerWaalsContact OD1-CD1 3.27Å; N384-F456 WeakPolarHBondContact OD1-CD1 3.4Å; N384-F456 WeakPolarHBondContact OD1-CG 3.4Å; N384-N458 PolarHBondContact OD1-O 3.04Å; N384-P460 WeakPolarHBondContact ND2-CD 3.22Å; N384-P460 PolarHBondContact ND2-O 3.25Å; N384-T482 HydrophobicContact CB-CG2 4.06Å; N384-A483 HydrophobicContact CB-CB 4.48Å; N384-A483 PolarHBondContact O-N 3.48Å; N384-S485 WeakPolarHBondContact ND2-CB 3.42Å; N384-S492 VanDerWaalsContact OD1-CB 3.32Å; N384-S492 WeakPolarHBondContact OD1-CB 2.87Å
385	R	98.5	Very high	98.7	Very high	59 Å²	59	14 Å²	14	22%	0.223	6%	0.064	C	C	.	.			trans	-112.3	82	-178.1	-64.2	-173.2	171.5	160.1	-15.2	109.8	G380 E383 Q387 Y388 A389 N480 Y481 T482	G380-R385 PolarHBondContact O-N 2.85Å; E383-R385 HydrophobicContact CB-CB 4.38Å; E383-R385 HydrophobicContact CB-CG 3.89Å; E383-R385 WeakPolarHBondContact O-CG 3.23Å; E383-R385 PolarHBondContact O-N 2.96Å; E383-R385 IonicContact OE2-CZ 3.56Å; E383-R385 IonicContact OE2-NE 3.41Å; E383-R385 IonicContact OE2-NH1 3.4Å; E383-R385 PolarHBondContact OE2-NH1 3.33Å; R385-Q387 VanDerWaalsContact C-N 3.26Å; R385-Q387 PolarHBondContact O-N 3.15Å; R385-Y388 HydrophobicContact CB-CD2 3.73Å; R385-Y388 HydrophobicContact CB-CG 4.38Å; R385-Y388 VanDerWaalsContact CD-CE2 3.46Å; R385-Y388 HydrophobicContact CG-CD2 4.21Å; R385-Y388 PolarHBondContact O-N 3.2Å; R385-Y388 VanDerWaalsContact O-N 3.11Å; R385-A389 PolarHBondContact O-N 2.89Å; R385-N480 PolarHBondContact NE-O 2.87Å; R385-N480 VanDerWaalsContact NE-O 3.12Å; R385-N480 PolarHBondContact NH2-O 2.91Å; R385-Y481 WeakPolarHBondContact CG-O 3.41Å; R385-T482 PolarHBondContact NE-OG1 3.47Å
386	A	98.5	Very high	98.7	Very high	9 Å²	9	13.9 Å²	13.9	7%	0.074	6%	0.064	C	C	.	.	H	α-helix	trans	-54.6	-41.4	-178.3	0	0	0	0	0	112.1	Y388 A389 L390 Y424 L437 F456	A386-Y388 VanDerWaalsContact C-N 3.31Å; A386-Y388 PolarHBondContact O-N 3.35Å; A386-A389 PolarHBondContact O-N 3.27Å; A386-L390 VanDerWaalsContact O-CB 3.31Å; A386-L390 WeakPolarHBondContact O-CB 2.99Å; A386-L390 WeakPolarHBondContact O-CG 3.04Å; A386-L390 PolarHBondContact O-N 3.46Å; A386-Y424 HydrophobicContact CB-CE2 4.21Å; A386-L437 HydrophobicContact CB-CD2 4.05Å; A386-F456 HydrophobicContact CB-CE2 4.12Å; A386-F456 HydrophobicContact CB-CZ 4.35Å
387	Q	98.5	Very high	98.7	Very high	36 Å²	36	13.1 Å²	13.1	17%	0.168	6%	0.061	C	C	.	.	H	α-helix	trans	-60.1	-39.5	179.8	-168.5	172	15.6	0	0	112.8	L342 R385 T391 L437 F477 A478	L342-Q387 HydrophobicContact CD1-CG 3.86Å; R385-Q387 VanDerWaalsContact C-N 3.26Å; R385-Q387 PolarHBondContact O-N 3.15Å; Q387-T391 WeakPolarHBondContact O-CB 3.23Å; Q387-T391 PolarHBondContact O-N 2.77Å; Q387-T391 PolarHBondContact O-OG1 3.49Å; Q387-L437 HydrophobicContact CB-CD1 3.94Å; Q387-L437 HydrophobicContact CB-CD2 4.07Å; Q387-L437 HydrophobicContact CG-CD1 3.68Å; Q387-F477 PolarHBondContact NE2-O 3.32Å; Q387-F477 PolarHBondContact OE1-O 2.97Å; Q387-F477 VanDerWaalsContact OE1-O 3.1Å; Q387-A478 VanDerWaalsContact OE1-C 3.28Å; Q387-A478 PolarHBondContact OE1-O 3.27Å; Q387-A478 VanDerWaalsContact OE1-O 3.06Å
388	Y	98.7	Very high	98.7	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-66.7	-54.5	171.5	-70.9	-38.2	0	0	0	111.1	Y340 L342 E343 R385 A386 L390 T391 E392 S479	Y340-Y388 HydrophobicContact CD1-CD1 4.23Å; Y340-Y388 HydrophobicContact CD1-CG 4Å; Y340-Y388 HydrophobicContact CD2-CD1 4.02Å; Y340-Y388 AromaticContact CD2-CD2 3.8Å; Y340-Y388 HydrophobicContact CD2-CD2 3.8Å; Y340-Y388 HydrophobicContact CD2-CE1 4.18Å; Y340-Y388 AromaticContact CD2-CE2 3.95Å; Y340-Y388 HydrophobicContact CD2-CE2 3.95Å; Y340-Y388 AromaticContact CD2-CG 3.89Å; Y340-Y388 HydrophobicContact CD2-CG 3.89Å; Y340-Y388 HydrophobicContact CE1-CD2 4.45Å; Y340-Y388 HydrophobicContact CE1-CG 4.16Å; Y340-Y388 AromaticContact CE2-CD2 3.62Å; Y340-Y388 HydrophobicContact CE2-CD2 3.62Å; Y340-Y388 AromaticContact CE2-CE2 3.99Å; Y340-Y388 HydrophobicContact CE2-CE2 3.99Å; Y340-Y388 HydrophobicContact CE2-CG 4.02Å; Y340-Y388 AromaticContact CG-CD1 3.8Å; Y340-Y388 HydrophobicContact CG-CD1 3.8Å; Y340-Y388 HydrophobicContact CG-CD2 4.26Å; Y340-Y388 HydrophobicContact CG-CE1 4.25Å; Y340-Y388 AromaticContact CG-CG 3.87Å; Y340-Y388 HydrophobicContact CG-CG 3.87Å; Y340-Y388 AromaticContact CZ-CD2 3.98Å; L342-Y388 HydrophobicContact CB-CD1 4.26Å; L342-Y388 HydrophobicContact CB-CE1 3.9Å; L342-Y388 HydrophobicContact CD1-CD1 3.8Å; L342-Y388 HydrophobicContact CD1-CE1 3.91Å; L342-Y388 HydrophobicContact CG-CD1 4.36Å; L342-Y388 HydrophobicContact CG-CE1 4.41Å; E343-Y388 HydrophobicContact CG-CE1 4.34Å; E343-Y388 VanDerWaalsContact OE1-CZ 3.28Å; E343-Y388 PolarHBondContact OE1-OH 3.46Å; R385-Y388 HydrophobicContact CB-CD2 3.73Å; R385-Y388 HydrophobicContact CB-CG 4.38Å; R385-Y388 VanDerWaalsContact CD-CE2 3.46Å; R385-Y388 HydrophobicContact CG-CD2 4.21Å; R385-Y388 PolarHBondContact O-N 3.2Å; R385-Y388 VanDerWaalsContact O-N 3.11Å; A386-Y388 VanDerWaalsContact C-N 3.31Å; A386-Y388 PolarHBondContact O-N 3.35Å; Y388-L390 VanDerWaalsContact C-N 3.32Å; Y388-L390 PolarHBondContact O-N 3.31Å; Y388-T391 PolarHBondContact O-N 3.31Å; Y388-E392 WeakPolarHBondContact O-CB 3.41Å; Y388-E392 VanDerWaalsContact O-CG 3.27Å; Y388-E392 WeakPolarHBondContact O-CG 3.37Å; Y388-E392 PolarHBondContact O-N 3.35Å; Y388-S479 WeakPolarHBondContact CE1-O 3.22Å; Y388-S479 VanDerWaalsContact CE2-O 3.32Å; Y388-S479 WeakPolarHBondContact CE2-O 3.45Å; Y388-S479 PolarHBondContact OH-O 2.64Å; Y388-S479 PolarHBondContact OH-OG 2.93Å
389	A	98.8	Very high	98.7	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-56	-44.7	-176.7	0	0	0	0	0	113	N381 R385 A386 T393	N381-A389 WeakPolarHBondContact OD1-CB 3.27Å; R385-A389 PolarHBondContact O-N 2.89Å; A386-A389 PolarHBondContact O-N 3.27Å; A389-T393 PolarHBondContact O-N 2.76Å; A389-T393 VanDerWaalsContact O-N 3.1Å; A389-T393 PolarHBondContact O-OG1 3.13Å
390	L	98.8	Very high	98.8	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-71.9	-40.7	-179.9	-60.3	-173.1	0	0	0	111.8	T114 A118 L121 A386 Y388 T393 L394 Y424 V436 L437	T114-L390 HydrophobicContact CG2-CD2 4.21Å; A118-L390 HydrophobicContact CB-CD2 4.36Å; L121-L390 HydrophobicContact CB-CD1 4.49Å; L121-L390 HydrophobicContact CD2-CB 3.58Å; A386-L390 VanDerWaalsContact O-CB 3.31Å; A386-L390 WeakPolarHBondContact O-CB 2.99Å; A386-L390 WeakPolarHBondContact O-CG 3.04Å; A386-L390 PolarHBondContact O-N 3.46Å; Y388-L390 VanDerWaalsContact C-N 3.32Å; Y388-L390 PolarHBondContact O-N 3.31Å; L390-T393 WeakPolarHBondContact O-CB 3.28Å; L390-T393 PolarHBondContact O-N 3.32Å; L390-L394 PolarHBondContact O-N 3.27Å; L390-L394 VanDerWaalsContact O-N 3.16Å; L390-Y424 HydrophobicContact CD2-CE1 4.19Å; L390-V436 HydrophobicContact CD1-CG1 3.74Å; L390-L437 HydrophobicContact CD1-CD2 4.16Å
391	T	98.7	Very high	98.8	Very high	6 Å²	6	20.2 Å²	20.2	4%	0.037	9%	0.093	C	C	.	.	H	α-helix	trans	-65.5	-40.4	176.2	-58.5	0	0	0	0	111.6	R341 L342 Q387 Y388 T393 L394 E395	R341-T391 HydrophobicContact CB-CG2 4.45Å; L342-T391 HydrophobicContact CD2-CG2 3.95Å; L342-T391 HydrophobicContact CG-CG2 3.99Å; Q387-T391 WeakPolarHBondContact O-CB 3.23Å; Q387-T391 PolarHBondContact O-N 2.77Å; Q387-T391 PolarHBondContact O-OG1 3.49Å; Y388-T391 PolarHBondContact O-N 3.31Å; T391-T393 PolarHBondContact O-N 2.04Å; T391-L394 WeakPolarHBondContact O-CB 3.44Å; T391-L394 PolarHBondContact O-N 3.43Å; T391-L394 VanDerWaalsContact O-N 3.1Å; T391-E395 PolarHBondContact O-N 3.48Å
392	E	98.9	Very high	98.8	Very high	10 Å²	10	23.4 Å²	23.4	5%	0.047	11%	0.107	C	C	.	.	H	α-helix	trans	-63.2	-32.1	174	-67.5	-58.2	134.2	0	0	112.1	Y340 R341 R376 I377 Y388 L394 E395 F396	Y340-E392 VanDerWaalsContact CA-OE1 3.27Å; Y340-E392 WeakPolarHBondContact CA-OE1 3.18Å; Y340-E392 HydrophobicContact CD1-CG 3.81Å; Y340-E392 HydrophobicContact CE1-CG 4.35Å; R341-E392 PolarHBondContact N-OE1 3.27Å; R376-E392 HydrophobicContact CB-CB 4.4Å; R376-E392 HydrophobicContact CB-CG 3.64Å; R376-E392 WeakPolarHBondContact CB-OE2 3.46Å; I377-E392 HydrophobicContact CG1-CB 3.64Å; Y388-E392 WeakPolarHBondContact O-CB 3.41Å; Y388-E392 VanDerWaalsContact O-CG 3.27Å; Y388-E392 WeakPolarHBondContact O-CG 3.37Å; Y388-E392 PolarHBondContact O-N 3.35Å; E392-L394 VanDerWaalsContact C-N 3.31Å; E392-L394 PolarHBondContact O-N 2.86Å; E392-E395 PolarHBondContact O-N 2.74Å; E392-F396 WeakPolarHBondContact O-CB 3.46Å; E392-F396 PolarHBondContact O-N 2.84Å
393	T	98.9	Very high	98.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-65.5	-35.7	173.4	-54.3	0	0	0	0	111.4	M110 T114 A118 L135 A389 L390 T391 F396 E397	M110-T393 HydrophobicContact CG-CG2 4.31Å; M110-T393 HydrophobicContact SD-CG2 3.96Å; T114-T393 WeakPolarHBondContact CG2-OG1 3.24Å; A118-T393 HydrophobicContact CB-CG2 3.48Å; A118-T393 VanDerWaalsContact CB-CG2 3.48Å; L135-T393 HydrophobicContact CD1-CG2 4.41Å; A389-T393 PolarHBondContact O-N 2.76Å; A389-T393 VanDerWaalsContact O-N 3.1Å; A389-T393 PolarHBondContact O-OG1 3.13Å; L390-T393 WeakPolarHBondContact O-CB 3.28Å; L390-T393 PolarHBondContact O-N 3.32Å; T391-T393 PolarHBondContact O-N 2.04Å; T393-F396 WeakPolarHBondContact O-CB 3.44Å; T393-F396 PolarHBondContact O-N 3.21Å; T393-E397 PolarHBondContact O-N 3Å
394	L	98.9	Very high	98.7	Very high	13 Å²	13	20.4 Å²	20.4	7%	0.068	9%	0.094	C	C	.	.	H	α-helix	trans	-70.8	-32.2	172.7	-58.1	-177.2	0	0	0	112.8	A118 L121 K122 K125 L135 L390 T391 E392 E397 K398	A118-L394 HydrophobicContact CB-CD2 4.25Å; L121-L394 HydrophobicContact CD2-CD1 4.12Å; L121-L394 HydrophobicContact CG-CD1 4.15Å; K122-L394 HydrophobicContact CB-CD2 3.83Å; K122-L394 HydrophobicContact CD-CD2 4.5Å; K122-L394 HydrophobicContact CG-CD2 4.39Å; K125-L394 HydrophobicContact CD-CD1 3.8Å; L135-L394 HydrophobicContact CD2-CD2 3.93Å; L390-L394 PolarHBondContact O-N 3.27Å; L390-L394 VanDerWaalsContact O-N 3.16Å; T391-L394 WeakPolarHBondContact O-CB 3.44Å; T391-L394 PolarHBondContact O-N 3.43Å; T391-L394 VanDerWaalsContact O-N 3.1Å; E392-L394 VanDerWaalsContact C-N 3.31Å; E392-L394 PolarHBondContact O-N 2.86Å; L394-E397 WeakPolarHBondContact O-CB 3.46Å; L394-E397 PolarHBondContact O-N 3.01Å; L394-K398 WeakPolarHBondContact O-CG 3.03Å; L394-K398 PolarHBondContact O-N 3.08Å; L394-K398 VanDerWaalsContact O-N 3.11Å
395	E	98.9	Very high	98.7	Very high	17 Å²	17	24.4 Å²	24.4	8%	0.079	12%	0.121	C	C	.	.	H	α-helix	trans	-71.2	-33.4	172	-65.2	-59.2	129.8	0	0	112.5	R341 T391 E392 K398 A399	R341-E395 HydrophobicContact CB-CG 3.64Å; R341-E395 VanDerWaalsContact CG-CD 3.46Å; R341-E395 HydrophobicContact CG-CG 3.6Å; T391-E395 PolarHBondContact O-N 3.48Å; E392-E395 PolarHBondContact O-N 2.74Å; E395-K398 PolarHBondContact O-N 3.2Å; E395-K398 IonicContact OE1-NZ 3.71Å; E395-K398 PolarHBondContact OE1-NZ 3.38Å; E395-K398 IonicContact OE2-NZ 3.94Å; E395-A399 PolarHBondContact O-N 3.19Å
396	F	98.9	Very high	98.7	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-64.9	-40	170.5	179.3	-110.3	0	0	0	111.6	F105 I106 M110 W137 L350 I377 E392 T393 K398 A399 V400 V416	F105-F396 HydrophobicContact CB-CE1 4.46Å; F105-F396 HydrophobicContact CB-CE2 3.75Å; F105-F396 HydrophobicContact CB-CZ 3.46Å; F105-F396 VanDerWaalsContact CB-CZ 3.46Å; F105-F396 HydrophobicContact CD1-CE2 4.23Å; I106-F396 VanDerWaalsContact C-CE2 3.49Å; I106-F396 VanDerWaalsContact C-CZ 3.44Å; I106-F396 WeakPolarHBondContact O-CE2 3.47Å; M110-F396 HydrophobicContact CE-CE1 4.01Å; M110-F396 HydrophobicContact SD-CD1 4Å; M110-F396 HydrophobicContact SD-CE1 3.91Å; W137-F396 AromaticContact CH2-CD1 3.54Å; W137-F396 HydrophobicContact CH2-CD1 3.54Å; W137-F396 AromaticContact CH2-CE1 3.96Å; W137-F396 HydrophobicContact CH2-CE1 3.96Å; W137-F396 HydrophobicContact CZ2-CD1 4.42Å; W137-F396 AromaticContact CZ3-CD1 3.8Å; W137-F396 HydrophobicContact CZ3-CD1 3.8Å; W137-F396 HydrophobicContact CZ3-CE1 4.04Å; L350-F396 HydrophobicContact CD2-CB 4.46Å; L350-F396 HydrophobicContact CD2-CD2 3.93Å; I377-F396 HydrophobicContact CD1-CB 4.09Å; I377-F396 HydrophobicContact CD1-CD1 4.49Å; I377-F396 HydrophobicContact CD1-CG 4.33Å; E392-F396 WeakPolarHBondContact O-CB 3.46Å; E392-F396 PolarHBondContact O-N 2.84Å; T393-F396 WeakPolarHBondContact O-CB 3.44Å; T393-F396 PolarHBondContact O-N 3.21Å; F396-K398 PolarHBondContact O-N 2.99Å; F396-A399 WeakPolarHBondContact O-CB 3.44Å; F396-A399 PolarHBondContact O-N 3.17Å; F396-A399 VanDerWaalsContact O-N 3.14Å; F396-V400 PolarHBondContact O-N 3.11Å; F396-V400 VanDerWaalsContact O-N 3.17Å; F396-V416 HydrophobicContact CE1-CG1 3.76Å; F396-V416 HydrophobicContact CZ-CG1 4.21Å
397	E	98.8	Very high	98.7	Very high	8 Å²	8	25.2 Å²	25.2	4%	0.037	13%	0.129	C	C	.	.	H	α-helix	trans	-54.2	-49.7	167.9	174.9	175.4	-133.8	0	0	112.9	K122 L135 V136 W137 T393 L394 A399 V400 E401	K122-E397 WeakPolarHBondContact CD-OE2 3.34Å; K122-E397 WeakPolarHBondContact CE-OE2 3.39Å; K122-E397 IonicContact NZ-OE1 3.89Å; K122-E397 PolarHBondContact NZ-OE1 2.95Å; K122-E397 IonicContact NZ-OE2 3.13Å; K122-E397 PolarHBondContact NZ-OE2 3.01Å; K122-E397 VanDerWaalsContact NZ-OE2 3.16Å; L135-E397 WeakPolarHBondContact CA-OE1 3.17Å; V136-E397 HydrophobicContact CB-CG 4.31Å; V136-E397 HydrophobicContact CG1-CG 3.97Å; V136-E397 PolarHBondContact N-OE1 3.49Å; W137-E397 HydrophobicContact CH2-CB 3.96Å; W137-E397 VanDerWaalsContact CZ3-CA 3.45Å; W137-E397 HydrophobicContact CZ3-CB 3.85Å; W137-E397 HydrophobicContact CZ3-CG 4.43Å; T393-E397 PolarHBondContact O-N 3Å; L394-E397 WeakPolarHBondContact O-CB 3.46Å; L394-E397 PolarHBondContact O-N 3.01Å; E397-A399 PolarHBondContact O-N 3.13Å; E397-A399 VanDerWaalsContact O-N 3.17Å; E397-V400 WeakPolarHBondContact O-CA 3.17Å; E397-V400 WeakPolarHBondContact O-CB 3.19Å; E397-V400 PolarHBondContact O-N 3.14Å; E397-E401 HydrophobicContact CG-CG 4.26Å; E397-E401 PolarHBondContact O-N 2.94Å
398	K	98.9	Very high	98.7	Very high	93 Å²	93	27.2 Å²	27.2	40%	0.404	14%	0.141	S	C	.	.	H	α-helix	trans	-58.4	-31.9	177.9	-68.6	171.7	-174	172.8	0	112.7	A351 L394 E395 F396 K402	A351-K398 HydrophobicContact CB-CB 4.1Å; L394-K398 WeakPolarHBondContact O-CG 3.03Å; L394-K398 PolarHBondContact O-N 3.08Å; L394-K398 VanDerWaalsContact O-N 3.11Å; E395-K398 PolarHBondContact O-N 3.2Å; E395-K398 IonicContact OE1-NZ 3.71Å; E395-K398 PolarHBondContact OE1-NZ 3.38Å; E395-K398 IonicContact OE2-NZ 3.94Å; F396-K398 PolarHBondContact O-N 2.99Å; K398-K402 WeakPolarHBondContact O-CB 3.12Å; K398-K402 PolarHBondContact O-N 3.39Å
399	A	98.9	Very high	98.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-69.2	-38.4	175	0	0	0	0	0	112.4	F105 L350 A351 V372 E395 F396 E397 K402 A403	F105-A399 HydrophobicContact CE1-CB 4.49Å; L350-A399 HydrophobicContact CB-CB 4.3Å; L350-A399 HydrophobicContact CD2-CB 4.08Å; L350-A399 HydrophobicContact CG-CB 3.74Å; A351-A399 HydrophobicContact CB-CB 4.46Å; V372-A399 HydrophobicContact CG1-CB 4.43Å; E395-A399 PolarHBondContact O-N 3.19Å; F396-A399 WeakPolarHBondContact O-CB 3.44Å; F396-A399 PolarHBondContact O-N 3.17Å; F396-A399 VanDerWaalsContact O-N 3.14Å; E397-A399 PolarHBondContact O-N 3.13Å; E397-A399 VanDerWaalsContact O-N 3.17Å; A399-K402 PolarHBondContact O-N 3.45Å; A399-A403 PolarHBondContact O-N 3.28Å
400	V	98.9	Very high	98.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-67	-47.5	174	179.3	0	0	0	0	110.9	F105 V136 W137 W140 F396 E397 K402 A403 L404 V416	F105-V400 HydrophobicContact CB-CG2 4.25Å; F105-V400 HydrophobicContact CD1-CG2 3.63Å; F105-V400 HydrophobicContact CD2-CG2 4.1Å; F105-V400 HydrophobicContact CE1-CG2 3.93Å; F105-V400 HydrophobicContact CE2-CG2 4.35Å; F105-V400 HydrophobicContact CG-CG2 3.74Å; F105-V400 HydrophobicContact CZ-CG2 4.29Å; V136-V400 HydrophobicContact CG1-CB 3.97Å; V136-V400 HydrophobicContact CG1-CG1 3.68Å; W137-V400 HydrophobicContact CE3-CB 4.04Å; W137-V400 HydrophobicContact CE3-CG1 4.15Å; W137-V400 HydrophobicContact CE3-CG2 3.76Å; W137-V400 HydrophobicContact CZ3-CB 4.22Å; W137-V400 HydrophobicContact CZ3-CG2 3.75Å; W140-V400 HydrophobicContact CH2-CG1 3.97Å; W140-V400 HydrophobicContact CZ2-CG1 3.57Å; F396-V400 PolarHBondContact O-N 3.11Å; F396-V400 VanDerWaalsContact O-N 3.17Å; E397-V400 WeakPolarHBondContact O-CA 3.17Å; E397-V400 WeakPolarHBondContact O-CB 3.19Å; E397-V400 PolarHBondContact O-N 3.14Å; V400-K402 VanDerWaalsContact C-N 3.28Å; V400-K402 PolarHBondContact O-N 3.01Å; V400-A403 PolarHBondContact O-N 2.93Å; V400-L404 HydrophobicContact CG1-CD1 4.11Å; V400-L404 WeakPolarHBondContact O-CG 3.49Å; V400-L404 PolarHBondContact O-N 3.3Å; V400-V416 HydrophobicContact CG1-CG2 4.17Å; V400-V416 HydrophobicContact CG2-CG2 3.79Å
401	E	98.7	Very high	98.3	Very high	84 Å²	84	41.4 Å²	41.4	39%	0.393	21%	0.207	S	C	.	.	H	α-helix	trans	-56	-44.7	174.5	-70.4	179.3	155.1	0	0	111.4	V136 E397 A403 L404 S405	V136-E401 HydrophobicContact CB-CG 3.93Å; V136-E401 HydrophobicContact CG1-CG 3.98Å; V136-E401 HydrophobicContact CG2-CG 3.93Å; E397-E401 HydrophobicContact CG-CG 4.26Å; E397-E401 PolarHBondContact O-N 2.94Å; E401-A403 PolarHBondContact O-N 3.02Å; E401-L404 WeakPolarHBondContact O-CB 3.33Å; E401-L404 PolarHBondContact O-N 3.32Å; E401-S405 PolarHBondContact O-N 3.14Å; E401-S405 VanDerWaalsContact O-N 3.11Å
402	K	98.9	Very high	98.3	Very high	66 Å²	66	41.1 Å²	41.1	29%	0.287	21%	0.206	S	C	.	.	H	α-helix	trans	-61.8	-45.6	178	-179.3	55.2	62.7	151.5	0	111.7	A351 E355 K398 A399 V400 S405 L406	A351-K402 HydrophobicContact CB-CB 4.23Å; E355-K402 HydrophobicContact CB-CD 3.95Å; E355-K402 HydrophobicContact CB-CG 3.76Å; E355-K402 HydrophobicContact CG-CD 4.3Å; E355-K402 WeakPolarHBondContact OE2-CD 3.35Å; E355-K402 WeakPolarHBondContact OE2-CE 3.46Å; E355-K402 IonicContact OE2-NZ 2.73Å; E355-K402 PolarHBondContact OE2-NZ 2.99Å; K398-K402 WeakPolarHBondContact O-CB 3.12Å; K398-K402 PolarHBondContact O-N 3.39Å; A399-K402 PolarHBondContact O-N 3.45Å; V400-K402 VanDerWaalsContact C-N 3.28Å; V400-K402 PolarHBondContact O-N 3.01Å; K402-S405 PolarHBondContact O-N 2.84Å; K402-S405 PolarHBondContact O-OG 2.95Å; K402-L406 HydrophobicContact CD-CD1 3.89Å; K402-L406 HydrophobicContact CD-CG 4.38Å; K402-L406 HydrophobicContact CG-CD1 4.1Å; K402-L406 WeakPolarHBondContact O-CG 3.44Å; K402-L406 PolarHBondContact O-N 2.82Å
403	A	98.8	Very high	98.2	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-62.7	-43.8	176.9	0	0	0	0	0	112.5	I103 F105 T354 I358 A399 V400 E401 S405 L406 V407	I103-A403 HydrophobicContact CD1-CB 4.13Å; F105-A403 HydrophobicContact CE1-CB 4.4Å; F105-A403 HydrophobicContact CE2-CB 4.27Å; F105-A403 HydrophobicContact CZ-CB 3.49Å; F105-A403 VanDerWaalsContact CZ-CB 3.49Å; T354-A403 HydrophobicContact CG2-CB 4.09Å; I358-A403 HydrophobicContact CD1-CB 3.6Å; A399-A403 PolarHBondContact O-N 3.28Å; V400-A403 PolarHBondContact O-N 2.93Å; E401-A403 PolarHBondContact O-N 3.02Å; A403-S405 PolarHBondContact O-N 3.37Å; A403-L406 PolarHBondContact O-N 2.81Å; A403-V407 WeakPolarHBondContact O-CG2 3.44Å; A403-V407 PolarHBondContact O-N 3.22Å
404	L	98.4	Very high	98.2	Very high	28 Å²	28	40.7 Å²	40.7	15%	0.147	20%	0.203	C	C	.	.	H	α-helix	trans	-54.6	-36.1	175.5	-76.6	166.5	0	0	0	112.3	V136 W140 V400 E401 L406 Q409 L414	V136-L404 HydrophobicContact CG2-CD1 3.69Å; W140-L404 HydrophobicContact CZ2-CD1 4.28Å; W140-L404 HydrophobicContact CZ2-CD2 4.4Å; V400-L404 HydrophobicContact CG1-CD1 4.11Å; V400-L404 WeakPolarHBondContact O-CG 3.49Å; V400-L404 PolarHBondContact O-N 3.3Å; E401-L404 WeakPolarHBondContact O-CB 3.33Å; E401-L404 PolarHBondContact O-N 3.32Å; L404-L406 VanDerWaalsContact C-N 3.3Å; L404-L406 PolarHBondContact O-N 3.15Å; L404-Q409 HydrophobicContact CD2-CG 4.09Å; L404-L414 HydrophobicContact CD2-CD1 3.49Å; L404-L414 VanDerWaalsContact CD2-CD1 3.49Å; L404-L414 HydrophobicContact CG-CD1 4.45Å
405	S	98.3	Very high	98.2	Very high	83 Å²	83	40 Å²	40	58%	0.58	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-11	177.5	71.8	0	0	0	0	115.5	E401 K402 A403	E401-S405 PolarHBondContact O-N 3.14Å; E401-S405 VanDerWaalsContact O-N 3.11Å; K402-S405 PolarHBondContact O-N 2.84Å; K402-S405 PolarHBondContact O-OG 2.95Å; A403-S405 PolarHBondContact O-N 3.37Å
406	L	98.6	Very high	98.2	Very high	66 Å²	66	39.2 Å²	39.2	35%	0.346	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.9	-11.9	-172.5	-67.6	171.9	0	0	0	113.9	E355 I358 K402 A403 L404	E355-L406 HydrophobicContact CB-CD1 3.89Å; E355-L406 HydrophobicContact CG-CD1 3.79Å; I358-L406 HydrophobicContact CB-CD1 4.36Å; I358-L406 HydrophobicContact CD1-CB 4.4Å; I358-L406 HydrophobicContact CD1-CD1 4.3Å; I358-L406 HydrophobicContact CG2-CB 3.88Å; I358-L406 HydrophobicContact CG2-CD1 4.43Å; K402-L406 HydrophobicContact CD-CD1 3.89Å; K402-L406 HydrophobicContact CD-CG 4.38Å; K402-L406 HydrophobicContact CG-CD1 4.1Å; K402-L406 WeakPolarHBondContact O-CG 3.44Å; K402-L406 PolarHBondContact O-N 2.82Å; A403-L406 PolarHBondContact O-N 2.81Å; L404-L406 VanDerWaalsContact C-N 3.3Å; L404-L406 PolarHBondContact O-N 3.15Å
407	V	98.5	Very high	98.2	Very high	20 Å²	20	39.2 Å²	39.2	12%	0.121	20%	0.196	C	C	.	.	S	Bend	trans	-120.5	148.9	-175.3	-54.6	0	0	0	0	111.3	I103 I358 F368 A403 Q409 T412 L414	I103-V407 HydrophobicContact CD1-CG1 4.04Å; I358-V407 HydrophobicContact CD1-CG1 4.22Å; I358-V407 HydrophobicContact CG2-CG1 4Å; F368-V407 HydrophobicContact CZ-CG1 4.15Å; A403-V407 WeakPolarHBondContact O-CG2 3.44Å; A403-V407 PolarHBondContact O-N 3.22Å; V407-Q409 PolarHBondContact O-N 2.94Å; V407-T412 HydrophobicContact CB-CG2 4.24Å; V407-T412 HydrophobicContact CG2-CG2 3.95Å; V407-L414 HydrophobicContact CG2-CD2 4.41Å
408	D	97.6	Very high	98.2	Very high	77 Å²	77	39 Å²	39	41%	0.412	20%	0.196	S	C	.	.			trans	-75.4	117.1	166.6	-170.8	-11.7	0	0	0	109.2	Q410 E411 T412	D408-Q410 PolarHBondContact O-N 3Å; D408-Q410 WeakPolarHBondContact OD1-CB 3.46Å; D408-Q410 PolarHBondContact OD1-N 3.11Å; D408-E411 HydrophobicContact CB-CB 4.35Å; D408-E411 HydrophobicContact CB-CG 4.39Å; D408-E411 PolarHBondContact O-N 2.69Å; D408-E411 VanDerWaalsContact O-N 3.08Å; D408-T412 VanDerWaalsContact O-CB 3.24Å; D408-T412 WeakPolarHBondContact O-CB 3.33Å; D408-T412 PolarHBondContact O-N 2.83Å; D408-T412 PolarHBondContact O-OG1 2.86Å
409	Q	95.3	Very high	98.2	Very high	89 Å²	89	34.6 Å²	34.6	42%	0.416	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-19.1	178	-67.8	-178.2	59.4	0	0	112.7	L404 V407 E411 L414 G505 P506	L404-Q409 HydrophobicContact CD2-CG 4.09Å; V407-Q409 PolarHBondContact O-N 2.94Å; Q409-E411 VanDerWaalsContact C-N 3.27Å; Q409-L414 HydrophobicContact CG-CD1 4.24Å; Q409-G505 VanDerWaalsContact O-CA 3.28Å; Q409-G505 WeakPolarHBondContact O-CA 3.48Å; Q409-P506 VanDerWaalsContact O-CD 3.29Å; Q409-P506 WeakPolarHBondContact O-CD 3.31Å
410	Q	95.1	Very high	98.2	Very high	152 Å²	152	34.6 Å²	34.6	71%	0.71	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-11.7	173.2	-66	175.6	88.8	0	0	112.9	D408 P506	D408-Q410 PolarHBondContact O-N 3Å; D408-Q410 WeakPolarHBondContact OD1-CB 3.46Å; D408-Q410 PolarHBondContact OD1-N 3.11Å; Q410-P506 WeakPolarHBondContact O-CG 3.35Å
411	E	96.8	Very high	98.2	Very high	58 Å²	58	34.6 Å²	34.6	27%	0.271	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.5	-1.8	-178.7	-56.5	-162.5	132.8	0	0	112.9	K97 E100 N101 D408 Q409	K97-E411 IonicContact NZ-OE1 3.04Å; K97-E411 PolarHBondContact NZ-OE1 2.86Å; E100-E411 HydrophobicContact CB-CB 4.45Å; E100-E411 HydrophobicContact CG-CB 4.32Å; E100-E411 PolarHBondContact N-O 3.31Å; N101-E411 PolarHBondContact N-O 3.45Å; D408-E411 HydrophobicContact CB-CB 4.35Å; D408-E411 HydrophobicContact CB-CG 4.39Å; D408-E411 PolarHBondContact O-N 2.69Å; D408-E411 VanDerWaalsContact O-N 3.08Å; Q409-E411 VanDerWaalsContact C-N 3.27Å
412	T	98.4	Very high	98.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	118.6	-173.7	-51.9	0	0	0	0	110.8	N101 I103 V407 D408 L414	N101-T412 HydrophobicContact CB-CG2 3.89Å; N101-T412 WeakPolarHBondContact O-CA 3.48Å; I103-T412 HydrophobicContact CD1-CG2 4.29Å; I103-T412 HydrophobicContact CG1-CG2 4.08Å; V407-T412 HydrophobicContact CB-CG2 4.24Å; V407-T412 HydrophobicContact CG2-CG2 3.95Å; D408-T412 VanDerWaalsContact O-CB 3.24Å; D408-T412 WeakPolarHBondContact O-CB 3.33Å; D408-T412 PolarHBondContact O-N 2.83Å; D408-T412 PolarHBondContact O-OG1 2.86Å; T412-L414 HydrophobicContact CG2-CD2 4.07Å; T412-L414 HydrophobicContact CG2-CG 4.1Å
413	L	98.5	Very high	98.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	118	167.6	171.7	60.2	0	0	0	109.1	P99 N101 V102 I103 L415 P506 F511	P99-L413 HydrophobicContact CB-CB 3.94Å; P99-L413 HydrophobicContact CG-CB 3.97Å; N101-L413 PolarHBondContact O-N 2.95Å; V102-L413 CarbonylContact C-O 3.6Å; V102-L413 VanDerWaalsContact CA-O 3.3Å; V102-L413 WeakPolarHBondContact CA-O 3.11Å; V102-L413 HydrophobicContact CG2-CB 4.13Å; V102-L413 HydrophobicContact CG2-CD2 4.28Å; I103-L413 PolarHBondContact N-O 3.03Å; L413-L415 HydrophobicContact CD1-CD2 3.91Å; L413-L415 HydrophobicContact CD1-CG 4.36Å; L413-L415 HydrophobicContact CG-CD2 4.29Å; L413-L415 HydrophobicContact CG-CG 4.23Å; L413-P506 WeakPolarHBondContact CD1-O 3.5Å; L413-F511 HydrophobicContact CD1-CE2 4.45Å; L413-F511 HydrophobicContact CD2-CE2 4.24Å
414	L	98.8	Very high	98.1	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	128.8	179.8	-64.7	156.1	0	0	0	108.7	I103 F105 W140 L404 V407 Q409 T412 A503 S504	I103-L414 HydrophobicContact CB-CD2 4.08Å; I103-L414 HydrophobicContact CD1-CD2 4.06Å; I103-L414 HydrophobicContact CG1-CD2 4.25Å; F105-L414 HydrophobicContact CE2-CD2 4.04Å; W140-L414 HydrophobicContact CH2-CB 3.61Å; W140-L414 HydrophobicContact CZ2-CB 4.27Å; W140-L414 HydrophobicContact CZ3-CB 3.94Å; W140-L414 WeakPolarHBondContact CZ3-O 3.43Å; L404-L414 HydrophobicContact CD2-CD1 3.49Å; L404-L414 VanDerWaalsContact CD2-CD1 3.49Å; L404-L414 HydrophobicContact CG-CD1 4.45Å; V407-L414 HydrophobicContact CG2-CD2 4.41Å; Q409-L414 HydrophobicContact CG-CD1 4.24Å; T412-L414 HydrophobicContact CG2-CD2 4.07Å; T412-L414 HydrophobicContact CG2-CG 4.1Å; L414-A503 WeakPolarHBondContact O-CA 3.17Å; L414-S504 PolarHBondContact N-O 3.15Å; L414-S504 PolarHBondContact O-N 3.11Å
415	L	98.9	Very high	98.1	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	128.5	179.1	-60	176	0	0	0	109.7	I103 L104 F105 L413 Y502 A503 F511 I520	I103-L415 PolarHBondContact O-N 2.76Å; L104-L415 HydrophobicContact CD1-CB 3.73Å; L104-L415 HydrophobicContact CD1-CD1 4.21Å; F105-L415 WeakPolarHBondContact CB-O 3.07Å; F105-L415 WeakPolarHBondContact CD2-O 3.46Å; F105-L415 PolarHBondContact N-O 3.03Å; L413-L415 HydrophobicContact CD1-CD2 3.91Å; L413-L415 HydrophobicContact CD1-CG 4.36Å; L413-L415 HydrophobicContact CG-CD2 4.29Å; L413-L415 HydrophobicContact CG-CG 4.23Å; L415-Y502 WeakPolarHBondContact CA-O 3.33Å; L415-A503 HydrophobicContact CD2-CB 3.53Å; L415-F511 HydrophobicContact CD1-CE1 4.22Å; L415-F511 HydrophobicContact CD1-CE2 4.12Å; L415-F511 HydrophobicContact CD1-CZ 3.65Å; L415-F511 HydrophobicContact CD2-CD1 4.43Å; L415-F511 HydrophobicContact CD2-CD2 3.69Å; L415-F511 HydrophobicContact CD2-CE1 4.23Å; L415-F511 HydrophobicContact CD2-CE2 3.49Å; L415-F511 VanDerWaalsContact CD2-CE2 3.49Å; L415-F511 HydrophobicContact CD2-CG 4.17Å; L415-F511 HydrophobicContact CD2-CZ 3.76Å; L415-F511 HydrophobicContact CG-CE2 4.43Å; L415-F511 HydrophobicContact CG-CZ 4.38Å; L415-I520 HydrophobicContact CD1-CG2 4.28Å
416	V	98.9	Very high	98.1	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	122.8	170.7	175.5	0	0	0	0	108.4	F105 M110 W137 W140 F396 V400 I501 Y502	F105-V416 HydrophobicContact CB-CB 4.45Å; F105-V416 HydrophobicContact CB-CG2 3.88Å; F105-V416 HydrophobicContact CD2-CG2 4.13Å; F105-V416 HydrophobicContact CG-CG2 4.25Å; M110-V416 HydrophobicContact CE-CG1 4.03Å; W137-V416 HydrophobicContact CB-CB 4.28Å; W137-V416 HydrophobicContact CB-CG2 4.08Å; W137-V416 HydrophobicContact CD2-CB 4.32Å; W137-V416 HydrophobicContact CD2-CG1 3.72Å; W137-V416 HydrophobicContact CD2-CG2 4.25Å; W137-V416 HydrophobicContact CE3-CG1 3.94Å; W137-V416 HydrophobicContact CE3-CG2 4.04Å; W137-V416 HydrophobicContact CG-CB 4.18Å; W137-V416 HydrophobicContact CG-CG1 3.97Å; W137-V416 HydrophobicContact CG-CG2 4.27Å; W137-V416 HydrophobicContact CZ2-CG1 4.43Å; W137-V416 HydrophobicContact CZ3-CG1 4.34Å; W140-V416 HydrophobicContact CH2-CB 4.46Å; W140-V416 HydrophobicContact CH2-CG2 3.47Å; W140-V416 VanDerWaalsContact CH2-CG2 3.47Å; W140-V416 HydrophobicContact CZ2-CG2 4.32Å; W140-V416 HydrophobicContact CZ3-CB 4.21Å; W140-V416 HydrophobicContact CZ3-CG2 3.69Å; F396-V416 HydrophobicContact CE1-CG1 3.76Å; F396-V416 HydrophobicContact CZ-CG1 4.21Å; V400-V416 HydrophobicContact CG1-CG2 4.17Å; V400-V416 HydrophobicContact CG2-CG2 3.79Å; V416-I501 CarbonylContact O-C 3.57Å; V416-I501 VanDerWaalsContact O-CA 3.31Å; V416-I501 WeakPolarHBondContact O-CA 3.27Å; V416-Y502 HydrophobicContact CB-CD2 4.4Å; V416-Y502 HydrophobicContact CG1-CD2 4.38Å; V416-Y502 PolarHBondContact N-O 3.37Å; V416-Y502 PolarHBondContact O-N 3.17Å
417	T	98.8	Very high	98	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	178.2	177.7	-174	0	0	0	0	110.3	L104 F105 I106 G107 P500 I520	L104-T417 HydrophobicContact CD1-CG2 4.11Å; F105-T417 PolarHBondContact O-N 2.57Å; I106-T417 CarbonylContact C-O 3.52Å; I106-T417 WeakPolarHBondContact CA-O 3.47Å; I106-T417 HydrophobicContact CD1-CG2 3.48Å; I106-T417 VanDerWaalsContact CD1-CG2 3.48Å; G107-T417 PolarHBondContact N-O 3.38Å; T417-P500 WeakPolarHBondContact CA-O 3.35Å; T417-P500 PolarHBondContact OG1-O 3.27Å; T417-P500 VanDerWaalsContact OG1-O 3.11Å; T417-I520 HydrophobicContact CG2-CD1 4.17Å
418	A	98.8	Very high	97.9	Very high	3 Å²	3	25 Å²	25	3%	0.025	14%	0.138	C	C	.	.			trans	-108.9	168.5	162.5	0	0	0	0	0	111.3	G107 M110 V499	G107-A418 WeakPolarHBondContact O-CA 3.42Å; G107-A418 WeakPolarHBondContact O-CB 3.27Å; M110-A418 HydrophobicContact CB-CB 4.01Å; M110-A418 VanDerWaalsContact O-CB 3.29Å; M110-A418 WeakPolarHBondContact O-CB 3.39Å; A418-V499 HydrophobicContact CB-CB 3.9Å; A418-V499 HydrophobicContact CB-CG1 3.94Å; A418-V499 HydrophobicContact CB-CG2 4.18Å; A418-V499 WeakPolarHBondContact O-CG2 3.4Å
419	D	98.6	Very high	97.9	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	16%	0.155	C	C	.	.	S	Bend	trans	-89.3	-33.3	173	69	-32.4	0	0	0	112.1	I106 D108 G109 T148 S158 A161 F165	I106-D419 HydrophobicContact CG2-CB 4.07Å; D108-D419 WeakPolarHBondContact CA-OD1 3.12Å; G109-D419 PolarHBondContact N-OD1 2.87Å; T148-D419 WeakPolarHBondContact CB-O 3.2Å; T148-D419 VanDerWaalsContact CG2-O 3.28Å; T148-D419 WeakPolarHBondContact CG2-O 3.24Å; S158-D419 WeakPolarHBondContact CA-OD2 3.47Å; S158-D419 WeakPolarHBondContact CB-OD2 3.5Å; A161-D419 HydrophobicContact CB-CB 3.78Å; A161-D419 VanDerWaalsContact CB-O 3.29Å; A161-D419 WeakPolarHBondContact CB-O 3.41Å; F165-D419 HydrophobicContact CD1-CB 4.32Å; F165-D419 HydrophobicContact CE1-CB 3.59Å
420	H	98.7	Very high	98	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.147	C	C	.	.			trans	-156.4	169.5	169.7	56	74.7	0	0	0	111.9	D108 G109 T156 S158 D378 H494	D108-H420 IonicContact OD1-CE1 3.55Å; D108-H420 IonicContact OD1-NE2 3.67Å; G109-H420 CarbonylContact C-O 3.59Å; G109-H420 WeakPolarHBondContact CA-O 3.3Å; T156-H420 HydrophobicContact CG2-CB 3.69Å; S158-H420 PolarHBondContact OG-NE2 2.87Å; D378-H420 IonicContact OD1-CE1 2.76Å; D378-H420 PolarHBondContact OD1-CE1 2.79Å; H420-H494 AromaticContact CD2-CE1 3.67Å; H420-H494 AromaticContact CD2-ND1 3.46Å; H420-H494 PolarHBondContact CD2-ND1 3.14Å; H420-H494 AromaticContact CE1-CD2 3.27Å; H420-H494 PolarHBondContact CE1-CD2 3.16Å; H420-H494 AromaticContact CE1-CE1 3.27Å; H420-H494 PolarHBondContact CE1-CE1 2.89Å; H420-H494 AromaticContact CE1-CG 3.31Å; H420-H494 AromaticContact CE1-ND1 3.31Å; H420-H494 PolarHBondContact CE1-ND1 3.29Å; H420-H494 VanDerWaalsContact CE1-ND1 3.31Å; H420-H494 AromaticContact CE1-NE2 3.35Å; H420-H494 PolarHBondContact CE1-NE2 3.21Å; H420-H494 VanDerWaalsContact CE1-NE2 3.35Å; H420-H494 AromaticContact CG-CG 3.87Å; H420-H494 AromaticContact CG-ND1 3.62Å; H420-H494 AromaticContact ND1-CD2 3.73Å; H420-H494 AromaticContact ND1-CE1 3.96Å; H420-H494 AromaticContact ND1-CG 3.35Å; H420-H494 VanDerWaalsContact ND1-CG 3.35Å; H420-H494 AromaticContact ND1-ND1 3.52Å; H420-H494 AromaticContact NE2-CD2 3.83Å; H420-H494 AromaticContact NE2-CE1 2.97Å; H420-H494 PolarHBondContact NE2-CE1 3.36Å; H420-H494 AromaticContact NE2-CG 3.73Å; H420-H494 AromaticContact NE2-ND1 3.2Å; H420-H494 PolarHBondContact NE2-ND1 3.49Å; H420-H494 VanDerWaalsContact NE2-ND1 3.2Å; H420-H494 AromaticContact NE2-NE2 3.47Å; H420-H494 PolarHBondContact NE2-NE2 3.26Å
421	S	98.5	Very high	98.1	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	178.1	170.5	-174.1	0	0	0	0	111.1	S111 H494 S495 E497	S111-S421 WeakPolarHBondContact CB-OG 3.32Å; S421-H494 WeakPolarHBondContact O-CA 3.42Å; S421-H494 WeakPolarHBondContact O-CB 3.48Å; S421-S495 PolarHBondContact O-N 2.69Å; S421-E497 VanDerWaalsContact OG-CG 3.23Å; S421-E497 WeakPolarHBondContact OG-CG 3.48Å; S421-E497 PolarHBondContact OG-OE1 2.63Å
422	H	98.6	Very high	98.1	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	162.4	180	-143.2	-67.9	0	0	0	111.9	D378 N381 H382 Y424 S492 T493 S495	D378-H422 IonicContact OD1-CD2 3.09Å; D378-H422 PolarHBondContact OD1-CD2 3.49Å; D378-H422 IonicContact OD1-NE2 3.89Å; D378-H422 PolarHBondContact OD1-NE2 2.81Å; N381-H422 HydrophobicContact CB-CB 4.01Å; N381-H422 VanDerWaalsContact CB-CD2 3.4Å; N381-H422 WeakPolarHBondContact CB-CD2 3.46Å; H382-H422 AromaticContact CD2-NE2 3.97Å; H382-H422 AromaticContact CE1-NE2 3.71Å; H382-H422 AromaticContact CG-NE2 3.6Å; H382-H422 PolarHBondContact N-NE2 2.88Å; H382-H422 AromaticContact ND1-CE1 3.81Å; H382-H422 AromaticContact ND1-NE2 3.43Å; H382-H422 PolarHBondContact ND1-NE2 3.07Å; H422-Y424 PolarHBondContact O-N 3.21Å; H422-S492 PolarHBondContact CE1-OG 2.78Å; H422-T493 PolarHBondContact CE1-O 3.17Å; H422-T493 VanDerWaalsContact CE1-O 3.28Å; H422-T493 PolarHBondContact ND1-O 2.76Å; H422-S495 WeakPolarHBondContact O-CB 3.42Å
423	A	98	Very high	98	Very high	5 Å²	5	32.9 Å²	32.9	4%	0.041	17%	0.171	C	C	.	.	S	Bend	trans	-76.4	44.2	-179.5	0	0	0	0	0	113.1	F456 F457 T493	A423-F456 CarbonylContact O-C 3.55Å; A423-F456 VanDerWaalsContact O-CA 3.29Å; A423-F456 WeakPolarHBondContact O-CA 3.46Å; A423-F457 HydrophobicContact CB-CB 4.27Å; A423-F457 HydrophobicContact CB-CD2 4.29Å; A423-F457 PolarHBondContact O-N 3.48Å; A423-T493 VanDerWaalsContact CB-O 3.32Å; A423-T493 WeakPolarHBondContact CB-O 3.44Å; A423-T493 PolarHBondContact N-O 3.27Å
424	Y	98.4	Very high	97.9	Very high	2 Å²	2	34 Å²	34	1%	0.008	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	139.8	-175.5	169.2	-108.6	0	0	0	111.4	S113 A386 L390 H422 V426 S454 S455 F456	S113-Y424 WeakPolarHBondContact CB-O 3.49Å; S113-Y424 WeakPolarHBondContact O-CE1 3.42Å; S113-Y424 PolarHBondContact OG-O 3.04Å; A386-Y424 HydrophobicContact CB-CE2 4.21Å; L390-Y424 HydrophobicContact CD2-CE1 4.19Å; H422-Y424 PolarHBondContact O-N 3.21Å; Y424-V426 HydrophobicContact CE1-CG2 4.14Å; Y424-V426 WeakPolarHBondContact OH-CG2 3.47Å; Y424-S454 PolarHBondContact OH-OG 2.86Å; Y424-S455 WeakPolarHBondContact CA-O 3.42Å; Y424-F456 HydrophobicContact CD2-CD1 4.31Å; Y424-F456 HydrophobicContact CD2-CD2 4.39Å; Y424-F456 AromaticContact CD2-CE1 3.81Å; Y424-F456 HydrophobicContact CD2-CE1 3.81Å; Y424-F456 AromaticContact CD2-CE2 3.91Å; Y424-F456 HydrophobicContact CD2-CE2 3.91Å; Y424-F456 AromaticContact CD2-CZ 3.59Å; Y424-F456 HydrophobicContact CD2-CZ 3.59Å; Y424-F456 HydrophobicContact CE2-CE2 4.4Å; Y424-F456 HydrophobicContact CE2-CZ 4.3Å; Y424-F456 HydrophobicContact CG-CE1 4.16Å; Y424-F456 HydrophobicContact CG-CZ 4.31Å
425	G	98.3	Very high	97.8	Very high	6 Å²	6	34.7 Å²	34.7	6%	0.062	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	151.6	176.2	0	0	0	0	0	113	S455	G425-S455 PolarHBondContact N-O 2.72Å; G425-S455 PolarHBondContact O-N 2.63Å
426	V	98	Very high	97.8	Very high	40 Å²	40	34.9 Å²	34.9	24%	0.242	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	111.4	164.4	-178.7	0	0	0	0	107.1	T116 Y120 Y424 V436 I453	T116-V426 HydrophobicContact CG2-CB 4.42Å; T116-V426 HydrophobicContact CG2-CG2 4.3Å; Y120-V426 HydrophobicContact CD2-CG1 4.09Å; Y120-V426 HydrophobicContact CE2-CG1 3.9Å; Y424-V426 HydrophobicContact CE1-CG2 4.14Å; Y424-V426 WeakPolarHBondContact OH-CG2 3.47Å; V426-V436 HydrophobicContact CG1-CG2 4.11Å; V426-V436 HydrophobicContact CG2-CG2 4.24Å; V426-I453 CarbonylContact C-O 3.48Å; V426-I453 WeakPolarHBondContact CA-O 3.36Å; V426-I453 HydrophobicContact CG1-CG2 3.79Å
427	V	96.9	Very high	97.8	Very high	54 Å²	54	35.5 Å²	35.5	33%	0.327	19%	0.188	S	C	.	.			trans	-127.4	166.8	-166.5	-57.1	0	0	0	0	112.9	Y451 I453	V427-Y451 HydrophobicContact CG2-CD2 4.44Å; V427-Y451 HydrophobicContact CG2-CE2 4.49Å; V427-I453 PolarHBondContact N-O 2.75Å
428	G	96.4	Very high	97.7	Very high	37 Å²	37	37.2 Å²	37.2	38%	0.381	20%	0.197	S	C	.	.	S	Bend	trans	93.8	-166.1	178.7	0	0	0	0	0	113.8	D440	G428-D440 VanDerWaalsContact CA-OD2 3.24Å; G428-D440 WeakPolarHBondContact CA-OD2 3.25Å
429	Y	96.5	Very high	97.7	Very high	193 Å²	193	37.6 Å²	37.6	76%	0.757	20%	0.199	S	C	*	.			trans	-121.3	37.7	174.4	-59.1	-83.8	0	0	0	112.6	D440 T442	Y429-D440 PolarHBondContact N-OD2 3.22Å; Y429-T442 WeakPolarHBondContact O-CG2 3.31Å; Y429-T442 PolarHBondContact O-OG1 2.9Å
430	P	97	Very high	97.6	Very high	39 Å²	39	37.8 Å²	37.8	25%	0.253	20%	0.2	S	C	.	.			trans	-59.2	146.5	-176.5	30.8	-39	0	0	0	111.4	T434 D440 I453	P430-T434 HydrophobicContact CB-CG2 4.45Å; P430-D440 WeakPolarHBondContact CD-OD2 3.42Å; P430-I453 HydrophobicContact CB-CD1 3.41Å; P430-I453 VanDerWaalsContact CB-CD1 3.41Å; P430-I453 HydrophobicContact CB-CG1 3.83Å; P430-I453 HydrophobicContact CG-CD1 3.75Å; P430-I453 HydrophobicContact CG-CG1 3.8Å; P430-I453 HydrophobicContact CG-CG2 4.06Å
431	T	97.6	Very high	97.4	Very high	58 Å²	58	42.1 Å²	42.1	36%	0.356	22%	0.223	S	C	.	.			trans	-66.1	150	173.9	50.1	0	0	0	0	111.3	N433 T434 N441 T442	T431-N433 WeakPolarHBondContact CB-OD1 3.45Å; T431-N433 PolarHBondContact O-N 3.14Å; T431-N433 PolarHBondContact OG1-OD1 3.39Å; T431-T434 VanDerWaalsContact O-CB 3.28Å; T431-T434 WeakPolarHBondContact O-CB 3.15Å; T431-T434 PolarHBondContact O-N 2.86Å; T431-T434 PolarHBondContact O-OG1 3.11Å; T431-T434 PolarHBondContact OG1-OG1 3.44Å; T431-N441 PolarHBondContact N-OD1 2.72Å; T431-N441 PolarHBondContact OG1-ND2 3.2Å; T431-N441 PolarHBondContact OG1-OD1 2.73Å; T431-T442 HydrophobicContact CG2-CG2 3.97Å
432	R	96.5	Very high	97.3	Very high	132 Å²	132	45.6 Å²	45.6	50%	0.498	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-19.1	-173.1	-64.3	179	63.4	-151.8	-5.1	115.1	L129 G130 D132	L129-R432 HydrophobicContact CB-CB 4.32Å; G130-R432 PolarHBondContact N-O 2.7Å; G130-R432 VanDerWaalsContact O-CZ 3.31Å; G130-R432 PolarHBondContact O-NE 3.33Å; G130-R432 PolarHBondContact O-NH2 3.04Å; D132-R432 IonicContact OD1-CZ 2.71Å; D132-R432 IonicContact OD1-NH1 2.74Å; D132-R432 IonicContact OD1-NH2 3.67Å; D132-R432 PolarHBondContact OD1-NH2 2.7Å; D132-R432 IonicContact OD2-NH2 2.75Å
433	N	96.2	Very high	97.1	Very high	119 Å²	119	47.5 Å²	47.5	64%	0.636	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	0.7	176.2	64.9	-22.1	0	0	0	113.2	L129 T431	L129-N433 HydrophobicContact CD2-CB 3.73Å; T431-N433 WeakPolarHBondContact CB-OD1 3.45Å; T431-N433 PolarHBondContact O-N 3.14Å; T431-N433 PolarHBondContact OG1-OD1 3.39Å
434	T	97.4	Very high	97	Very high	25 Å²	25	52.3 Å²	52.3	15%	0.153	28%	0.28	C	S	.	.	S	Bend	trans	-85.8	133	178.6	-54.1	0	0	0	0	109.8	P430 T431 D438 N441 I453	P430-T434 HydrophobicContact CB-CG2 4.45Å; T431-T434 VanDerWaalsContact O-CB 3.28Å; T431-T434 WeakPolarHBondContact O-CB 3.15Å; T431-T434 PolarHBondContact O-N 2.86Å; T431-T434 PolarHBondContact O-OG1 3.11Å; T431-T434 PolarHBondContact OG1-OG1 3.44Å; T434-D438 HydrophobicContact CG2-CB 3.92Å; T434-N441 PolarHBondContact OG1-ND2 2.85Å; T434-N441 PolarHBondContact OG1-OD1 3.22Å; T434-I453 HydrophobicContact CG2-CD1 3.62Å
435	S	97.8	Very high	96.9	Very high	14 Å²	14	53.4 Å²	53.4	10%	0.098	29%	0.292	C	S	.	.			trans	-59.4	138.7	175.4	173.1	0	0	0	0	110.6	E124 L437 D438 I453	E124-S435 VanDerWaalsContact CD-OG 3.27Å; E124-S435 PolarHBondContact OE1-OG 3.17Å; E124-S435 WeakPolarHBondContact OE2-CA 3.45Å; E124-S435 WeakPolarHBondContact OE2-CB 3.41Å; E124-S435 PolarHBondContact OE2-OG 3.23Å; S435-L437 PolarHBondContact O-N 3.04Å; S435-L437 VanDerWaalsContact O-N 3.14Å; S435-L437 PolarHBondContact OG-N 2.86Å; S435-D438 VanDerWaalsContact O-CB 3.25Å; S435-D438 WeakPolarHBondContact O-CB 3.27Å; S435-D438 PolarHBondContact O-N 3.01Å; S435-I453 VanDerWaalsContact O-CD1 3.28Å; S435-I453 WeakPolarHBondContact O-CD1 3.43Å
436	V	98.1	Very high	96.8	Very high	4 Å²	4	61.9 Å²	61.9	2%	0.024	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-14.2	176.4	72.4	0	0	0	0	113.3	Y120 L121 L390 V426 I453 S454	Y120-V436 HydrophobicContact CD2-CB 4.49Å; Y120-V436 HydrophobicContact CD2-CG2 4.02Å; L121-V436 HydrophobicContact CB-CG1 4.05Å; L390-V436 HydrophobicContact CD1-CG1 3.74Å; V426-V436 HydrophobicContact CG1-CG2 4.11Å; V426-V436 HydrophobicContact CG2-CG2 4.24Å; V436-I453 HydrophobicContact CG2-CG2 3.99Å; V436-S454 WeakPolarHBondContact O-CB 3.37Å; V436-S454 PolarHBondContact O-N 3.23Å; V436-S454 PolarHBondContact O-OG 2.89Å
437	L	98	Very high	96.7	Very high	13 Å²	13	63.3 Å²	63.3	7%	0.068	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-8.2	175.2	-57.5	176.9	0	0	0	112.5	L121 A386 Q387 L390 S435 F477	L121-L437 HydrophobicContact CD1-CD1 4.05Å; A386-L437 HydrophobicContact CB-CD2 4.05Å; Q387-L437 HydrophobicContact CB-CD1 3.94Å; Q387-L437 HydrophobicContact CB-CD2 4.07Å; Q387-L437 HydrophobicContact CG-CD1 3.68Å; L390-L437 HydrophobicContact CD1-CD2 4.16Å; S435-L437 PolarHBondContact O-N 3.04Å; S435-L437 VanDerWaalsContact O-N 3.14Å; S435-L437 PolarHBondContact OG-N 2.86Å; L437-F477 HydrophobicContact CB-CD1 4.37Å; L437-F477 HydrophobicContact CB-CE1 4.26Å
438	D	97.9	Very high	96.7	Very high	35 Å²	35	66.2 Å²	66.2	19%	0.187	36%	0.356	C	S	.	.	S	Bend	trans	-84.5	180	-179.3	-148.6	-23.5	0	0	0	111.7	T434 S435 I453 R476 F477	T434-D438 HydrophobicContact CG2-CB 3.92Å; S435-D438 VanDerWaalsContact O-CB 3.25Å; S435-D438 WeakPolarHBondContact O-CB 3.27Å; S435-D438 PolarHBondContact O-N 3.01Å; D438-I453 PolarHBondContact O-N 3.42Å; D438-R476 IonicContact OD1-CZ 3.93Å; D438-R476 IonicContact OD1-NE 2.69Å; D438-R476 PolarHBondContact OD1-NE 2.99Å; D438-R476 IonicContact OD1-NH2 2.7Å; D438-R476 PolarHBondContact OD1-NH2 2.91Å; D438-R476 IonicContact OD2-NH2 2.87Å; D438-F477 HydrophobicContact CB-CZ 3.99Å
439	V	98.1	Very high	96.7	Very high	12 Å²	12	66.8 Å²	66.8	7%	0.073	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-81.7	154.9	166.5	-59.6	0	0	0	0	110.9	N441 Y451 L452 P471 A472	V439-N441 PolarHBondContact O-N 3.33Å; V439-Y451 CarbonylContact C-O 3.54Å; V439-Y451 WeakPolarHBondContact CA-O 3.28Å; V439-Y451 WeakPolarHBondContact CB-O 3.33Å; V439-L452 HydrophobicContact CG1-CD2 4.16Å; V439-P471 HydrophobicContact CG1-CB 3.89Å; V439-P471 HydrophobicContact CG1-CG 3.75Å; V439-A472 HydrophobicContact CG1-CB 4.3Å; V439-A472 HydrophobicContact CG2-CB 4.24Å
440	D	97.6	Very high	96.8	Very high	5 Å²	5	58.1 Å²	58.1	3%	0.027	32%	0.315	C	S	.	.			trans	-61.2	122.8	170.4	-169.8	-41.6	0	0	0	110.1	G428 Y429 P430 T442 A443 Y451 I453	G428-D440 VanDerWaalsContact CA-OD2 3.24Å; G428-D440 WeakPolarHBondContact CA-OD2 3.25Å; Y429-D440 PolarHBondContact N-OD2 3.22Å; P430-D440 WeakPolarHBondContact CD-OD2 3.42Å; D440-T442 WeakPolarHBondContact OD1-CA 3.28Å; D440-T442 WeakPolarHBondContact OD1-CB 3.2Å; D440-T442 PolarHBondContact OD1-N 2.98Å; D440-T442 PolarHBondContact OD1-OG1 2.83Å; D440-A443 PolarHBondContact OD1-N 3.2Å; D440-Y451 HydrophobicContact CB-CD2 4.25Å; D440-Y451 HydrophobicContact CB-CE1 4.11Å; D440-Y451 HydrophobicContact CB-CE2 3.7Å; D440-Y451 PolarHBondContact N-O 3.14Å; D440-Y451 PolarHBondContact OD2-OH 3.38Å; D440-I453 HydrophobicContact CB-CG1 4.43Å
441	N	93.9	Very high	96.8	Very high	90 Å²	90	58.8 Å²	58.8	48%	0.481	31%	0.313	S	S	.	.	S	Bend	trans	-91.6	5.3	-176.6	72.2	-22.1	0	0	0	114.4	T431 T434 V439	T431-N441 PolarHBondContact N-OD1 2.72Å; T431-N441 PolarHBondContact OG1-ND2 3.2Å; T431-N441 PolarHBondContact OG1-OD1 2.73Å; T434-N441 PolarHBondContact OG1-ND2 2.85Å; T434-N441 PolarHBondContact OG1-OD1 3.22Å; V439-N441 PolarHBondContact O-N 3.33Å
442	T	97.1	Very high	96.8	Very high	73 Å²	73	56.8 Å²	56.8	45%	0.448	30%	0.3	S	S	.	.	S	Bend	trans	-110.4	-24.9	-176	69.9	0	0	0	0	113.5	Y429 T431 D440	Y429-T442 WeakPolarHBondContact O-CG2 3.31Å; Y429-T442 PolarHBondContact O-OG1 2.9Å; T431-T442 HydrophobicContact CG2-CG2 3.97Å; D440-T442 WeakPolarHBondContact OD1-CA 3.28Å; D440-T442 WeakPolarHBondContact OD1-CB 3.2Å; D440-T442 PolarHBondContact OD1-N 2.98Å; D440-T442 PolarHBondContact OD1-OG1 2.83Å
443	A	93.6	Very high	96.8	Very high	41 Å²	41	50.7 Å²	50.7	34%	0.339	28%	0.277	S	S	.	.			trans	-149.4	156	-176.8	0	0	0	0	0	112	D440	D440-A443 PolarHBondContact OD1-N 3.2Å
444	K	96.5	Very high	96.9	Very high	107 Å²	107	45.2 Å²	45.2	47%	0.465	25%	0.248	S	C	.	.			trans	-113.9	165	169.5	-67.1	-170.4	172.7	-167.2	0	109.9	N448	K444-N448 WeakPolarHBondContact CD-O 3.21Å; K444-N448 WeakPolarHBondContact CD-OD1 3.41Å; K444-N448 PolarHBondContact NZ-O 3.41Å
445	G	95.5	Very high	96.9	Very high	24 Å²	24	45.8 Å²	45.8	25%	0.247	25%	0.253	C	S	.	.			trans	-69.4	166	166.4	0	0	0	0	0	111.9	D447 N448 K449	G445-D447 PolarHBondContact O-N 3.06Å; G445-D447 VanDerWaalsContact O-N 3.07Å; G445-N448 WeakPolarHBondContact O-CA 3.22Å; G445-N448 PolarHBondContact O-N 3.31Å; G445-K449 PolarHBondContact N-O 3.4Å
446	D	96.1	Very high	97	Very high	184 Å²	184	45.5 Å²	45.5	98%	0.984	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-18.8	179.4	-66.6	-22.4	0	0	0	113.7	N448	D446-N448 PolarHBondContact O-N 3.13Å
447	D	95.6	Very high	96.9	Very high	71 Å²	71	51 Å²	51	38%	0.38	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	11	172.6	66	-16.7	0	0	0	113.6	G445 K449 R468	G445-D447 PolarHBondContact O-N 3.06Å; G445-D447 VanDerWaalsContact O-N 3.07Å; D447-K449 PolarHBondContact O-N 3.08Å; D447-K449 PolarHBondContact OD1-N 3.18Å; D447-K449 IonicContact OD2-NZ 3.95Å; D447-R468 IonicContact OD1-CZ 3.44Å; D447-R468 IonicContact OD1-NE 2.8Å; D447-R468 PolarHBondContact OD1-NE 3.04Å; D447-R468 IonicContact OD1-NH2 3.88Å; D447-R468 PolarHBondContact OD1-NH2 3.27Å; D447-R468 WeakPolarHBondContact OD2-CG 3.45Å; D447-R468 IonicContact OD2-CZ 3.26Å; D447-R468 IonicContact OD2-NE 2.72Å; D447-R468 PolarHBondContact OD2-NE 3.19Å; D447-R468 IonicContact OD2-NH2 2.86Å
448	N	97.1	Very high	97	Very high	114 Å²	114	51.6 Å²	51.6	61%	0.61	28%	0.277	S	S	*	.	S	Bend	trans	59.6	27.3	-179.8	-166.9	30	0	0	0	114.4	K444 G445 D446	K444-N448 WeakPolarHBondContact CD-O 3.21Å; K444-N448 WeakPolarHBondContact CD-OD1 3.41Å; K444-N448 PolarHBondContact NZ-O 3.41Å; G445-N448 WeakPolarHBondContact O-CA 3.22Å; G445-N448 PolarHBondContact O-N 3.31Å; D446-N448 PolarHBondContact O-N 3.13Å
449	K	97.2	Very high	97	Very high	50 Å²	50	49.9 Å²	49.9	22%	0.217	27%	0.268	C	S	.	.			trans	-110.9	147.3	174	-63.7	175.8	-170	156.9	0	111.1	G445 D447 R468 D470	G445-K449 PolarHBondContact N-O 3.4Å; D447-K449 PolarHBondContact O-N 3.08Å; D447-K449 PolarHBondContact OD1-N 3.18Å; D447-K449 IonicContact OD2-NZ 3.95Å; K449-R468 HydrophobicContact CD-CG 4.07Å; K449-R468 WeakPolarHBondContact CD-O 3.47Å; K449-R468 WeakPolarHBondContact CE-O 3.39Å; K449-R468 PolarHBondContact NZ-O 3.01Å; K449-R468 PolarHBondContact O-NH2 3.4Å; K449-D470 HydrophobicContact CB-CB 4.01Å; K449-D470 HydrophobicContact CD-CB 4.29Å; K449-D470 HydrophobicContact CG-CB 3.98Å
450	S	97.7	Very high	97	Very high	10 Å²	10	50.3 Å²	50.3	7%	0.07	27%	0.271	C	S	.	.			trans	-67.8	165.1	176.5	-34.1	0	0	0	0	110.7	R468 D470 P471 A472	S450-R468 PolarHBondContact O-NH1 2.79Å; S450-D470 WeakPolarHBondContact CB-OD1 3.41Å; S450-D470 PolarHBondContact N-OD1 3.33Å; S450-D470 PolarHBondContact N-OD2 3.43Å; S450-D470 PolarHBondContact OG-OD1 3.06Å; S450-P471 VanDerWaalsContact O-CD 3.23Å; S450-P471 WeakPolarHBondContact O-CD 3.2Å; S450-P471 WeakPolarHBondContact O-CG 3.07Å; S450-A472 VanDerWaalsContact OG-CB 3.28Å; S450-A472 WeakPolarHBondContact OG-CB 3.49Å
451	Y	96.5	Very high	96.9	Very high	54 Å²	54	54.2 Å²	54.2	21%	0.212	29%	0.286	C	S	.	.			trans	-136	148	172.8	59.9	-87	0	0	0	109.9	V427 V439 D440	V427-Y451 HydrophobicContact CG2-CD2 4.44Å; V427-Y451 HydrophobicContact CG2-CE2 4.49Å; V439-Y451 CarbonylContact C-O 3.54Å; V439-Y451 WeakPolarHBondContact CA-O 3.28Å; V439-Y451 WeakPolarHBondContact CB-O 3.33Å; D440-Y451 HydrophobicContact CB-CD2 4.25Å; D440-Y451 HydrophobicContact CB-CE1 4.11Å; D440-Y451 HydrophobicContact CB-CE2 3.7Å; D440-Y451 PolarHBondContact N-O 3.14Å; D440-Y451 PolarHBondContact OD2-OH 3.38Å
452	L	97.9	Very high	96.9	Very high	16 Å²	16	50 Å²	50	8%	0.084	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-71.1	139.8	-178.2	-68	166.6	0	0	0	110.8	V439 S454 S455 P471 R476 Y481 A483	V439-L452 HydrophobicContact CG1-CD2 4.16Å; L452-S454 WeakPolarHBondContact CB-O 3.46Å; L452-S455 PolarHBondContact O-OG 3.36Å; L452-P471 HydrophobicContact CD1-CB 4.28Å; L452-P471 HydrophobicContact CD2-CB 3.81Å; L452-P471 HydrophobicContact CD2-CG 4.48Å; L452-P471 HydrophobicContact CG-CB 3.73Å; L452-P471 HydrophobicContact CG-CG 4.09Å; L452-R476 HydrophobicContact CD2-CB 4.27Å; L452-Y481 HydrophobicContact CD1-CE1 3.82Å; L452-Y481 HydrophobicContact CD2-CE1 4.42Å; L452-A483 HydrophobicContact CD1-CB 3.7Å
453	I	98.1	Very high	96.4	Very high	3 Å²	3	49.2 Å²	49.2	2%	0.015	26%	0.256	C	S	.	.	S	Bend	trans	-64.7	-46	171.5	-64.1	163.1	0	0	0	109.5	V426 V427 P430 T434 S435 V436 D438 D440 S455	V426-I453 CarbonylContact C-O 3.48Å; V426-I453 WeakPolarHBondContact CA-O 3.36Å; V426-I453 HydrophobicContact CG1-CG2 3.79Å; V427-I453 PolarHBondContact N-O 2.75Å; P430-I453 HydrophobicContact CB-CD1 3.41Å; P430-I453 VanDerWaalsContact CB-CD1 3.41Å; P430-I453 HydrophobicContact CB-CG1 3.83Å; P430-I453 HydrophobicContact CG-CD1 3.75Å; P430-I453 HydrophobicContact CG-CG1 3.8Å; P430-I453 HydrophobicContact CG-CG2 4.06Å; T434-I453 HydrophobicContact CG2-CD1 3.62Å; S435-I453 VanDerWaalsContact O-CD1 3.28Å; S435-I453 WeakPolarHBondContact O-CD1 3.43Å; V436-I453 HydrophobicContact CG2-CG2 3.99Å; D438-I453 PolarHBondContact O-N 3.42Å; D440-I453 HydrophobicContact CB-CG1 4.43Å; I453-S455 PolarHBondContact O-N 3.17Å
454	S	98.4	Very high	96.2	Very high	5 Å²	5	54 Å²	54	4%	0.035	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	99.3	170.7	-77.5	0	0	0	0	111	Y424 V436 L452	Y424-S454 PolarHBondContact OH-OG 2.86Å; V436-S454 WeakPolarHBondContact O-CB 3.37Å; V436-S454 PolarHBondContact O-N 3.23Å; V436-S454 PolarHBondContact O-OG 2.89Å; L452-S454 WeakPolarHBondContact CB-O 3.46Å
455	S	97.3	Very high	95.9	Very high	37 Å²	37	53.4 Å²	53.4	26%	0.259	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	150.1	-172.1	-81.7	0	0	0	0	113.3	Y424 G425 L452 I453	Y424-S455 WeakPolarHBondContact CA-O 3.42Å; G425-S455 PolarHBondContact N-O 2.72Å; G425-S455 PolarHBondContact O-N 2.63Å; L452-S455 PolarHBondContact O-OG 3.36Å; I453-S455 PolarHBondContact O-N 3.17Å
456	F	98	Very high	95.6	Very high	8 Å²	8	55 Å²	55	4%	0.035	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	132.2	179.4	-68.9	-92.7	0	0	0	112.5	N381 N384 A386 A423 Y424 A483 S485 L486	N381-F456 HydrophobicContact CB-CE1 4.27Å; N381-F456 WeakPolarHBondContact O-CE1 3.27Å; N384-F456 HydrophobicContact CB-CB 4.48Å; N384-F456 HydrophobicContact CB-CD1 4.37Å; N384-F456 HydrophobicContact CB-CD2 3.89Å; N384-F456 HydrophobicContact CB-CE2 4.17Å; N384-F456 HydrophobicContact CB-CG 3.99Å; N384-F456 VanDerWaalsContact OD1-CD1 3.27Å; N384-F456 WeakPolarHBondContact OD1-CD1 3.4Å; N384-F456 WeakPolarHBondContact OD1-CG 3.4Å; A386-F456 HydrophobicContact CB-CE2 4.12Å; A386-F456 HydrophobicContact CB-CZ 4.35Å; A423-F456 CarbonylContact O-C 3.55Å; A423-F456 VanDerWaalsContact O-CA 3.29Å; A423-F456 WeakPolarHBondContact O-CA 3.46Å; Y424-F456 HydrophobicContact CD2-CD1 4.31Å; Y424-F456 HydrophobicContact CD2-CD2 4.39Å; Y424-F456 AromaticContact CD2-CE1 3.81Å; Y424-F456 HydrophobicContact CD2-CE1 3.81Å; Y424-F456 AromaticContact CD2-CE2 3.91Å; Y424-F456 HydrophobicContact CD2-CE2 3.91Å; Y424-F456 AromaticContact CD2-CZ 3.59Å; Y424-F456 HydrophobicContact CD2-CZ 3.59Å; Y424-F456 HydrophobicContact CE2-CE2 4.4Å; Y424-F456 HydrophobicContact CE2-CZ 4.3Å; Y424-F456 HydrophobicContact CG-CE1 4.16Å; Y424-F456 HydrophobicContact CG-CZ 4.31Å; F456-A483 HydrophobicContact CD2-CB 3.85Å; F456-A483 HydrophobicContact CE2-CB 4.2Å; F456-S485 VanDerWaalsContact O-CA 3.31Å; F456-S485 WeakPolarHBondContact O-CA 3.26Å; F456-S485 WeakPolarHBondContact O-CB 3.37Å; F456-L486 PolarHBondContact O-N 3.23Å
457	F	97.8	Very high	95.3	Very high	119 Å²	119	51.5 Å²	51.5	52%	0.522	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	-32.5	-178.9	-60.1	-68.9	0	0	0	113.1	A423 L486 V487	A423-F457 HydrophobicContact CB-CB 4.27Å; A423-F457 HydrophobicContact CB-CD2 4.29Å; A423-F457 PolarHBondContact O-N 3.48Å; F457-L486 WeakPolarHBondContact O-CB 3.37Å; F457-V487 PolarHBondContact O-N 2.73Å
458	N	98.2	Very high	95.3	Very high	25 Å²	25	50.8 Å²	50.8	13%	0.134	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	164.7	174.9	67.6	55.5	0	0	0	110.3	N384 V487 L489 S492 T493	N384-N458 PolarHBondContact OD1-O 3.04Å; N458-V487 CarbonylContact C-O 3.49Å; N458-V487 WeakPolarHBondContact CA-O 2.99Å; N458-V487 HydrophobicContact CB-CB 3.85Å; N458-V487 WeakPolarHBondContact CB-O 3.19Å; N458-L489 HydrophobicContact CB-CD1 3.97Å; N458-S492 WeakPolarHBondContact O-CB 3.5Å; N458-S492 PolarHBondContact O-OG 3.05Å; N458-S492 WeakPolarHBondContact OD1-CA 3.48Å; N458-S492 PolarHBondContact OD1-OG 3.16Å; N458-T493 PolarHBondContact ND2-OG1 3.32Å; N458-T493 PolarHBondContact OD1-N 2.78Å; N458-T493 PolarHBondContact OD1-OG1 3.34Å
459	G	98.3	Very high	95	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	135.4	-160.1	178	0	0	0	0	0	114	S485 V487 L489	G459-S485 PolarHBondContact N-OG 2.78Å; G459-S485 PolarHBondContact O-OG 3.18Å; G459-S485 VanDerWaalsContact O-OG 3.1Å; G459-V487 PolarHBondContact N-O 3.17Å; G459-L489 CarbonylContact C-O 3.18Å; G459-L489 PolarHBondContact O-N 3.18Å
460	P	98	Very high	95	Very high	21 Å²	21	46 Å²	46	14%	0.136	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	160.7	174.1	-28	35.8	0	0	0	113.5	H382 N384 G462 T482 S485 L489	H382-P460 WeakPolarHBondContact O-CD 3.24Å; N384-P460 WeakPolarHBondContact ND2-CD 3.22Å; N384-P460 PolarHBondContact ND2-O 3.25Å; P460-G462 PolarHBondContact O-N 3.35Å; P460-T482 HydrophobicContact CB-CG2 3.82Å; P460-S485 PolarHBondContact O-OG 2.92Å; P460-L489 WeakPolarHBondContact CA-O 3.4Å
461	R	95.7	Very high	95	Very high	87 Å²	87	46 Å²	46	33%	0.328	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.9	-3.7	176.6	-74.7	-169.5	64.3	169.1	-2.3	118.1	I463 E474 T482 E484 R488	R461-I463 PolarHBondContact O-N 2.75Å; R461-E474 IonicContact CZ-OE2 3.54Å; R461-E474 IonicContact NH1-OE2 3.4Å; R461-E474 PolarHBondContact NH1-OE2 3.01Å; R461-E474 VanDerWaalsContact NH2-CD 3.35Å; R461-E474 IonicContact NH2-OE1 3.05Å; R461-E474 PolarHBondContact NH2-OE1 3.16Å; R461-E474 IonicContact NH2-OE2 2.91Å; R461-E474 PolarHBondContact NH2-OE2 3.47Å; R461-T482 HydrophobicContact CB-CG2 4.17Å; R461-T482 WeakPolarHBondContact CD-O 3.38Å; R461-T482 HydrophobicContact CG-CG2 3.74Å; R461-T482 PolarHBondContact NH1-O 3.28Å; R461-T482 VanDerWaalsContact NH1-O 3.12Å; R461-E484 WeakPolarHBondContact O-CG 3.29Å; R461-R488 VanDerWaalsContact C-NH1 3.33Å
462	G	93.6	Very high	95	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	27%	0.274	C	S	.	.			trans	-50.5	142.5	168	0	0	0	0	0	113.9	P460 S485 R488	P460-G462 PolarHBondContact O-N 3.35Å; G462-S485 WeakPolarHBondContact CA-O 3.27Å; G462-S485 PolarHBondContact N-OG 3.43Å; G462-R488 WeakPolarHBondContact O-CB 3.26Å; G462-R488 VanDerWaalsContact O-CD 3.25Å; G462-R488 WeakPolarHBondContact O-CD 3.2Å; G462-R488 WeakPolarHBondContact O-CG 3.23Å; G462-R488 PolarHBondContact O-NH1 2.71Å
463	I	87.9	Confident	94.9	Very high	58 Å²	58	50 Å²	50	30%	0.297	30%	0.303	S	S	.	.			trans	-84.2	143.5	-167.3	-48.9	150.8	0	0	0	111.1	R461 A466 R468 E484	R461-I463 PolarHBondContact O-N 2.75Å; I463-A466 HydrophobicContact CG2-CB 3.78Å; I463-A466 WeakPolarHBondContact CG2-O 3.4Å; I463-R468 HydrophobicContact CD1-CB 3.38Å; I463-E484 VanDerWaalsContact CD1-CD 3.46Å; I463-E484 HydrophobicContact CD1-CG 4.36Å; I463-E484 VanDerWaalsContact CD1-OE1 3.31Å; I463-E484 WeakPolarHBondContact CD1-OE1 3.45Å; I463-E484 HydrophobicContact CG1-CG 3.96Å; I463-E484 WeakPolarHBondContact CG1-OE2 3.4Å
464	L	89.8	Confident	94.8	Very high	140 Å²	140	51.6 Å²	51.6	73%	0.733	31%	0.311	S	S	*	.	S	Bend	trans	-116.6	97.8	174.5	-61.3	177.2	0	0	0	109.7	A466 R488	L464-A466 VanDerWaalsContact C-N 3.29Å; L464-A466 PolarHBondContact O-N 2.74Å; L464-R488 HydrophobicContact CD2-CB 4.06Å; L464-R488 HydrophobicContact CD2-CG 4.37Å; L464-R488 HydrophobicContact CG-CG 4.46Å
465	G	88.6	Confident	94.8	Very high	95 Å²	95	56.9 Å²	56.9	98%	0.979	34%	0.339	S	S	*	.	S	Bend	trans	69.6	16.5	170.2	0	0	0	0	0	116.4
466	A	89	Confident	94.7	Very high	59 Å²	59	57.1 Å²	57.1	49%	0.488	33%	0.334	S	S	.	.	S	Bend	trans	-122.4	160.5	175.5	0	0	0	0	0	111	I463 L464	I463-A466 HydrophobicContact CG2-CB 3.78Å; I463-A466 WeakPolarHBondContact CG2-O 3.4Å; L464-A466 VanDerWaalsContact C-N 3.29Å; L464-A466 PolarHBondContact O-N 2.74Å
467	P	91.7	Very high	94.6	Very high	110 Å²	110	60.8 Å²	60.8	71%	0.714	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-62.8	148.2	165.6	-18.5	31.9	0	0	0	110.8
468	R	94	Very high	94.6	Very high	56 Å²	56	56.2 Å²	56.2	21%	0.211	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-61.1	153.3	173.5	65.6	-173.4	-170.1	95.5	-8.3	113.3	D447 K449 S450 I463 E484	D447-R468 IonicContact OD1-CZ 3.44Å; D447-R468 IonicContact OD1-NE 2.8Å; D447-R468 PolarHBondContact OD1-NE 3.04Å; D447-R468 IonicContact OD1-NH2 3.88Å; D447-R468 PolarHBondContact OD1-NH2 3.27Å; D447-R468 WeakPolarHBondContact OD2-CG 3.45Å; D447-R468 IonicContact OD2-CZ 3.26Å; D447-R468 IonicContact OD2-NE 2.72Å; D447-R468 PolarHBondContact OD2-NE 3.19Å; D447-R468 IonicContact OD2-NH2 2.86Å; K449-R468 HydrophobicContact CD-CG 4.07Å; K449-R468 WeakPolarHBondContact CD-O 3.47Å; K449-R468 WeakPolarHBondContact CE-O 3.39Å; K449-R468 PolarHBondContact NZ-O 3.01Å; K449-R468 PolarHBondContact O-NH2 3.4Å; S450-R468 PolarHBondContact O-NH1 2.79Å; I463-R468 HydrophobicContact CD1-CB 3.38Å; R468-E484 WeakPolarHBondContact CB-OE1 3.47Å
469	S	92.5	Very high	94.4	Very high	36 Å²	36	57.2 Å²	57.2	25%	0.252	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-71.8	164	167.1	56.4	0	0	0	0	111.1	P471 E474	S469-P471 WeakPolarHBondContact O-CD 3.24Å; S469-E474 WeakPolarHBondContact CB-OE1 3.29Å; S469-E474 PolarHBondContact OG-OE1 3.43Å
470	D	96.2	Very high	94.2	Very high	28 Å²	28	61.5 Å²	61.5	15%	0.15	37%	0.366	C	S	.	.			trans	-91.9	108.8	165.4	-170.2	-17.3	0	0	0	108.4	K449 S450 A472 T473	K449-D470 HydrophobicContact CB-CB 4.01Å; K449-D470 HydrophobicContact CD-CB 4.29Å; K449-D470 HydrophobicContact CG-CB 3.98Å; S450-D470 WeakPolarHBondContact CB-OD1 3.41Å; S450-D470 PolarHBondContact N-OD1 3.33Å; S450-D470 PolarHBondContact N-OD2 3.43Å; S450-D470 PolarHBondContact OG-OD1 3.06Å; D470-A472 PolarHBondContact O-N 2.91Å; D470-A472 VanDerWaalsContact OD1-CB 3.32Å; D470-A472 WeakPolarHBondContact OD1-CB 3.27Å; D470-A472 PolarHBondContact OD1-N 2.79Å; D470-T473 HydrophobicContact CB-CG2 4.14Å; D470-T473 PolarHBondContact O-N 3.36Å; D470-T473 PolarHBondContact O-OG1 3.44Å
471	P	96.8	Very high	94.2	Very high	9 Å²	9	61.9 Å²	61.9	6%	0.058	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-59.1	-19.8	179.6	23.4	-33.1	0	0	0	113.4	V439 S450 L452 S469 T473 E474 R476	V439-P471 HydrophobicContact CG1-CB 3.89Å; V439-P471 HydrophobicContact CG1-CG 3.75Å; S450-P471 VanDerWaalsContact O-CD 3.23Å; S450-P471 WeakPolarHBondContact O-CD 3.2Å; S450-P471 WeakPolarHBondContact O-CG 3.07Å; L452-P471 HydrophobicContact CD1-CB 4.28Å; L452-P471 HydrophobicContact CD2-CB 3.81Å; L452-P471 HydrophobicContact CD2-CG 4.48Å; L452-P471 HydrophobicContact CG-CB 3.73Å; L452-P471 HydrophobicContact CG-CG 4.09Å; S469-P471 WeakPolarHBondContact O-CD 3.24Å; P471-T473 PolarHBondContact O-N 2.89Å; P471-E474 PolarHBondContact O-N 3.39Å; P471-E474 VanDerWaalsContact O-N 3.15Å; P471-R476 PolarHBondContact O-NH1 3.39Å
472	A	96.9	Very high	94.3	Very high	38 Å²	38	58.8 Å²	58.8	31%	0.314	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-65.1	-23.2	174.1	0	0	0	0	0	113	V439 S450 D470 R476	V439-A472 HydrophobicContact CG1-CB 4.3Å; V439-A472 HydrophobicContact CG2-CB 4.24Å; S450-A472 VanDerWaalsContact OG-CB 3.28Å; S450-A472 WeakPolarHBondContact OG-CB 3.49Å; D470-A472 PolarHBondContact O-N 2.91Å; D470-A472 VanDerWaalsContact OD1-CB 3.32Å; D470-A472 WeakPolarHBondContact OD1-CB 3.27Å; D470-A472 PolarHBondContact OD1-N 2.79Å; A472-R476 PolarHBondContact O-NH1 3.39Å; A472-R476 VanDerWaalsContact O-NH1 3.09Å
473	T	96.7	Very high	94.5	Very high	116 Å²	116	59 Å²	59	71%	0.712	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-89.8	-3.7	177.2	67.9	0	0	0	0	113.4	D470 P471	D470-T473 HydrophobicContact CB-CG2 4.14Å; D470-T473 PolarHBondContact O-N 3.36Å; D470-T473 PolarHBondContact O-OG1 3.44Å; P471-T473 PolarHBondContact O-N 2.89Å
474	E	96.6	Very high	94.9	Very high	37 Å²	37	58.5 Å²	58.5	17%	0.173	35%	0.354	C	S	.	.	S	Bend	trans	-100.3	155.2	-179.4	-55.2	-172.6	-174.5	0	0	111.3	R461 S469 P471 R476 Y481	R461-E474 IonicContact CZ-OE2 3.54Å; R461-E474 IonicContact NH1-OE2 3.4Å; R461-E474 PolarHBondContact NH1-OE2 3.01Å; R461-E474 VanDerWaalsContact NH2-CD 3.35Å; R461-E474 IonicContact NH2-OE1 3.05Å; R461-E474 PolarHBondContact NH2-OE1 3.16Å; R461-E474 IonicContact NH2-OE2 2.91Å; R461-E474 PolarHBondContact NH2-OE2 3.47Å; S469-E474 WeakPolarHBondContact CB-OE1 3.29Å; S469-E474 PolarHBondContact OG-OE1 3.43Å; P471-E474 PolarHBondContact O-N 3.39Å; P471-E474 VanDerWaalsContact O-N 3.15Å; E474-R476 PolarHBondContact O-N 3.23Å; E474-R476 PolarHBondContact O-NH1 3.18Å; E474-Y481 HydrophobicContact CB-CE2 3.84Å; E474-Y481 WeakPolarHBondContact OE2-CE2 3.19Å; E474-Y481 VanDerWaalsContact OE2-CZ 3.3Å; E474-Y481 PolarHBondContact OE2-OH 3.23Å
475	D	96.4	Very high	95.2	Very high	116 Å²	116	52.1 Å²	52.1	62%	0.62	32%	0.321	S	S	*	.			trans	-76.7	69.7	171.2	-173.6	10.5	0	0	0	111	F477 A478 Y481	D475-F477 PolarHBondContact O-N 3.24Å; D475-A478 WeakPolarHBondContact O-CB 3.32Å; D475-A478 PolarHBondContact O-N 3.24Å; D475-A478 PolarHBondContact OD1-N 3.11Å; D475-Y481 WeakPolarHBondContact O-CD2 3.27Å
476	R	96.1	Very high	95.5	Very high	41 Å²	41	54.5 Å²	54.5	16%	0.155	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-11.5	-175.5	65	-166.7	169.7	-80.1	0.1	115.1	D438 L452 P471 A472 E474 Y481	D438-R476 IonicContact OD1-CZ 3.93Å; D438-R476 IonicContact OD1-NE 2.69Å; D438-R476 PolarHBondContact OD1-NE 2.99Å; D438-R476 IonicContact OD1-NH2 2.7Å; D438-R476 PolarHBondContact OD1-NH2 2.91Å; D438-R476 IonicContact OD2-NH2 2.87Å; L452-R476 HydrophobicContact CD2-CB 4.27Å; P471-R476 PolarHBondContact O-NH1 3.39Å; A472-R476 PolarHBondContact O-NH1 3.39Å; A472-R476 VanDerWaalsContact O-NH1 3.09Å; E474-R476 PolarHBondContact O-N 3.23Å; E474-R476 PolarHBondContact O-NH1 3.18Å; R476-Y481 HydrophobicContact CB-CD1 4.11Å; R476-Y481 HydrophobicContact CB-CD2 4.39Å; R476-Y481 HydrophobicContact CB-CE1 3.9Å; R476-Y481 HydrophobicContact CB-CE2 4.19Å; R476-Y481 HydrophobicContact CB-CG 4.35Å
477	F	96.8	Very high	95.8	Very high	86 Å²	86	55.5 Å²	55.5	38%	0.377	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-5.5	176.2	-65.8	-75.5	0	0	0	113.2	Q387 L437 D438 D475 S479	Q387-F477 PolarHBondContact NE2-O 3.32Å; Q387-F477 PolarHBondContact OE1-O 2.97Å; Q387-F477 VanDerWaalsContact OE1-O 3.1Å; L437-F477 HydrophobicContact CB-CD1 4.37Å; L437-F477 HydrophobicContact CB-CE1 4.26Å; D438-F477 HydrophobicContact CB-CZ 3.99Å; D475-F477 PolarHBondContact O-N 3.24Å; F477-S479 PolarHBondContact O-N 2.94Å
478	A	97.4	Very high	96.1	Very high	23 Å²	23	56 Å²	56	19%	0.19	30%	0.298	C	S	.	.	S	Bend	trans	-60	134.1	170.6	0	0	0	0	0	110.4	Q387 D475 N480 Y481	Q387-A478 VanDerWaalsContact OE1-C 3.28Å; Q387-A478 PolarHBondContact OE1-O 3.27Å; Q387-A478 VanDerWaalsContact OE1-O 3.06Å; D475-A478 WeakPolarHBondContact O-CB 3.32Å; D475-A478 PolarHBondContact O-N 3.24Å; D475-A478 PolarHBondContact OD1-N 3.11Å; A478-N480 PolarHBondContact O-N 2.7Å; A478-Y481 WeakPolarHBondContact O-CB 3.49Å; A478-Y481 PolarHBondContact O-N 2.87Å
479	S	93.7	Very high	96.3	Very high	46 Å²	46	56.5 Å²	56.5	32%	0.322	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-35.5	-176.8	65.2	0	0	0	0	113.5	Y388 F477	Y388-S479 WeakPolarHBondContact CE1-O 3.22Å; Y388-S479 VanDerWaalsContact CE2-O 3.32Å; Y388-S479 WeakPolarHBondContact CE2-O 3.45Å; Y388-S479 PolarHBondContact OH-O 2.64Å; Y388-S479 PolarHBondContact OH-OG 2.93Å; F477-S479 PolarHBondContact O-N 2.94Å
480	N	94.6	Very high	96.5	Very high	90 Å²	90	60.5 Å²	60.5	48%	0.481	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	9.8	-178.3	68.9	-8.1	0	0	0	113.6	R385 A478 T482	R385-N480 PolarHBondContact NE-O 2.87Å; R385-N480 VanDerWaalsContact NE-O 3.12Å; R385-N480 PolarHBondContact NH2-O 2.91Å; A478-N480 PolarHBondContact O-N 2.7Å; N480-T482 PolarHBondContact O-N 2.92Å
481	Y	97.9	Very high	96.6	Very high	29 Å²	29	62.1 Å²	62.1	11%	0.114	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-58.3	118.8	179.1	-178.5	-104.2	0	0	0	110.6	R385 L452 E474 D475 R476 A478 A483	R385-Y481 WeakPolarHBondContact CG-O 3.41Å; L452-Y481 HydrophobicContact CD1-CE1 3.82Å; L452-Y481 HydrophobicContact CD2-CE1 4.42Å; E474-Y481 HydrophobicContact CB-CE2 3.84Å; E474-Y481 WeakPolarHBondContact OE2-CE2 3.19Å; E474-Y481 VanDerWaalsContact OE2-CZ 3.3Å; E474-Y481 PolarHBondContact OE2-OH 3.23Å; D475-Y481 WeakPolarHBondContact O-CD2 3.27Å; R476-Y481 HydrophobicContact CB-CD1 4.11Å; R476-Y481 HydrophobicContact CB-CD2 4.39Å; R476-Y481 HydrophobicContact CB-CE1 3.9Å; R476-Y481 HydrophobicContact CB-CE2 4.19Å; R476-Y481 HydrophobicContact CB-CG 4.35Å; A478-Y481 WeakPolarHBondContact O-CB 3.49Å; A478-Y481 PolarHBondContact O-N 2.87Å; Y481-A483 HydrophobicContact CE1-CB 4.32Å
482	T	97.9	Very high	96.7	Very high	21 Å²	21	61.8 Å²	61.8	13%	0.129	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-97.9	119.5	174	-65.7	0	0	0	0	108.1	E383 N384 R385 P460 R461 N480	E383-T482 WeakPolarHBondContact O-CG2 3.18Å; N384-T482 HydrophobicContact CB-CG2 4.06Å; R385-T482 PolarHBondContact NE-OG1 3.47Å; P460-T482 HydrophobicContact CB-CG2 3.82Å; R461-T482 HydrophobicContact CB-CG2 4.17Å; R461-T482 WeakPolarHBondContact CD-O 3.38Å; R461-T482 HydrophobicContact CG-CG2 3.74Å; R461-T482 PolarHBondContact NH1-O 3.28Å; R461-T482 VanDerWaalsContact NH1-O 3.12Å; N480-T482 PolarHBondContact O-N 2.92Å
483	A	97	Very high	96.7	Very high	4 Å²	4	62.8 Å²	62.8	3%	0.033	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-69.2	144.3	175.2	0	0	0	0	0	111	N384 L452 F456 Y481	N384-A483 HydrophobicContact CB-CB 4.48Å; N384-A483 PolarHBondContact O-N 3.48Å; L452-A483 HydrophobicContact CD1-CB 3.7Å; F456-A483 HydrophobicContact CD2-CB 3.85Å; F456-A483 HydrophobicContact CE2-CB 4.2Å; Y481-A483 HydrophobicContact CE1-CB 4.32Å
484	E	95.6	Very high	96.8	Very high	49 Å²	49	58.4 Å²	58.4	23%	0.229	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-68.9	137.3	168.2	-167.8	-179.5	82.6	0	0	110.3	R461 I463 R468	R461-E484 WeakPolarHBondContact O-CG 3.29Å; I463-E484 VanDerWaalsContact CD1-CD 3.46Å; I463-E484 HydrophobicContact CD1-CG 4.36Å; I463-E484 VanDerWaalsContact CD1-OE1 3.31Å; I463-E484 WeakPolarHBondContact CD1-OE1 3.45Å; I463-E484 HydrophobicContact CG1-CG 3.96Å; I463-E484 WeakPolarHBondContact CG1-OE2 3.4Å; R468-E484 WeakPolarHBondContact CB-OE1 3.47Å
485	S	96.1	Very high	96.9	Very high	5 Å²	5	57.9 Å²	57.9	4%	0.035	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	157.1	177.1	64	0	0	0	0	112.7	N384 F456 G459 P460 G462 V487	N384-S485 WeakPolarHBondContact ND2-CB 3.42Å; F456-S485 VanDerWaalsContact O-CA 3.31Å; F456-S485 WeakPolarHBondContact O-CA 3.26Å; F456-S485 WeakPolarHBondContact O-CB 3.37Å; G459-S485 PolarHBondContact N-OG 2.78Å; G459-S485 PolarHBondContact O-OG 3.18Å; G459-S485 VanDerWaalsContact O-OG 3.1Å; P460-S485 PolarHBondContact O-OG 2.92Å; G462-S485 WeakPolarHBondContact CA-O 3.27Å; G462-S485 PolarHBondContact N-OG 3.43Å; S485-V487 PolarHBondContact O-N 3.43Å; S485-V487 PolarHBondContact OG-O 2.68Å
486	L	94.8	Very high	97	Very high	145 Å²	145	54.4 Å²	54.4	76%	0.759	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.7	-46.6	176.5	175.8	68	0	0	0	113.2	F456 F457	F456-L486 PolarHBondContact O-N 3.23Å; F457-L486 WeakPolarHBondContact O-CB 3.37Å
487	V	96.5	Very high	97	Very high	80 Å²	80	56 Å²	56	49%	0.485	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	119.5	-179.6	-178.5	0	0	0	0	111.6	F457 N458 G459 S485 L489	F457-V487 PolarHBondContact O-N 2.73Å; N458-V487 CarbonylContact C-O 3.49Å; N458-V487 WeakPolarHBondContact CA-O 2.99Å; N458-V487 HydrophobicContact CB-CB 3.85Å; N458-V487 WeakPolarHBondContact CB-O 3.19Å; G459-V487 PolarHBondContact N-O 3.17Å; S485-V487 PolarHBondContact O-N 3.43Å; S485-V487 PolarHBondContact OG-O 2.68Å; V487-L489 PolarHBondContact O-N 3.17Å
488	R	97	Very high	97.1	Very high	120 Å²	120	54.2 Å²	54.2	45%	0.453	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	122.3	-179.5	-175.3	52.1	170.6	-107.8	8.4	112.3	R461 G462 L464	R461-R488 VanDerWaalsContact C-NH1 3.33Å; G462-R488 WeakPolarHBondContact O-CB 3.26Å; G462-R488 VanDerWaalsContact O-CD 3.25Å; G462-R488 WeakPolarHBondContact O-CD 3.2Å; G462-R488 WeakPolarHBondContact O-CG 3.23Å; G462-R488 PolarHBondContact O-NH1 2.71Å; L464-R488 HydrophobicContact CD2-CB 4.06Å; L464-R488 HydrophobicContact CD2-CG 4.37Å; L464-R488 HydrophobicContact CG-CG 4.46Å
489	L	97.9	Very high	97.2	Very high	68 Å²	68	53.1 Å²	53.1	36%	0.356	30%	0.297	S	S	.	.			trans	-134	167.3	166.1	-61.7	175	0	0	0	109.4	N458 G459 P460 V487 T491 T493	N458-L489 HydrophobicContact CB-CD1 3.97Å; G459-L489 CarbonylContact C-O 3.18Å; G459-L489 PolarHBondContact O-N 3.18Å; P460-L489 WeakPolarHBondContact CA-O 3.4Å; V487-L489 PolarHBondContact O-N 3.17Å; L489-T491 VanDerWaalsContact C-N 3.31Å; L489-T491 WeakPolarHBondContact CB-O 3.41Å; L489-T493 HydrophobicContact CD1-CG2 3.6Å
490	S	97.5	Very high	97.4	Very high	119 Å²	119	51 Å²	51	83%	0.832	28%	0.282	S	S	*	.	S	Bend	trans	-73.9	-26.8	172.5	54.4	0	0	0	0	112.6
491	T	97.9	Very high	97.6	Very high	62 Å²	62	46.7 Å²	46.7	38%	0.38	26%	0.26	S	S	.	.	S	Bend	trans	-145.5	144.7	175.1	-177.7	0	0	0	0	107.7	H382 L489	H382-T491 VanDerWaalsContact CB-OG1 3.3Å; H382-T491 WeakPolarHBondContact CB-OG1 3.36Å; H382-T491 PolarHBondContact ND1-OG1 2.71Å; H382-T491 VanDerWaalsContact ND1-OG1 3.17Å; H382-T491 PolarHBondContact O-OG1 3.3Å; L489-T491 VanDerWaalsContact C-N 3.31Å; L489-T491 WeakPolarHBondContact CB-O 3.41Å
492	S	98.3	Very high	97.6	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.014	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-66.5	160	177.6	-177	0	0	0	0	111.3	H382 N384 H422 N458	H382-S492 PolarHBondContact CE1-O 3.37Å; H382-S492 PolarHBondContact ND1-O 2.86Å; H382-S492 PolarHBondContact O-N 3.31Å; N384-S492 VanDerWaalsContact OD1-CB 3.32Å; N384-S492 WeakPolarHBondContact OD1-CB 2.87Å; H422-S492 PolarHBondContact CE1-OG 2.78Å; N458-S492 WeakPolarHBondContact O-CB 3.5Å; N458-S492 PolarHBondContact O-OG 3.05Å; N458-S492 WeakPolarHBondContact OD1-CA 3.48Å; N458-S492 PolarHBondContact OD1-OG 3.16Å
493	T	98.5	Very high	97.7	Very high	59 Å²	59	45.3 Å²	45.3	36%	0.362	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-98.2	157.3	178	70.7	0	0	0	0	111.2	H422 A423 N458 L489	H422-T493 PolarHBondContact CE1-O 3.17Å; H422-T493 VanDerWaalsContact CE1-O 3.28Å; H422-T493 PolarHBondContact ND1-O 2.76Å; A423-T493 VanDerWaalsContact CB-O 3.32Å; A423-T493 WeakPolarHBondContact CB-O 3.44Å; A423-T493 PolarHBondContact N-O 3.27Å; N458-T493 PolarHBondContact ND2-OG1 3.32Å; N458-T493 PolarHBondContact OD1-N 2.78Å; N458-T493 PolarHBondContact OD1-OG1 3.34Å; L489-T493 HydrophobicContact CD1-CG2 3.6Å
494	H	98.6	Very high	97.7	Very high	24 Å²	24	45.6 Å²	45.6	11%	0.111	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	166.6	164.6	-50	167.9	0	0	0	111.1	T155 T156 D378 H382 H420 S421	T155-H494 HydrophobicContact CG2-CB 3.6Å; T156-H494 PolarHBondContact O-ND1 3.19Å; D378-H494 IonicContact OD1-CD2 2.78Å; D378-H494 IonicContact OD1-NE2 3.8Å; H382-H494 AromaticContact CE1-CD2 3.46Å; H382-H494 PolarHBondContact CE1-CD2 3.11Å; H382-H494 VanDerWaalsContact CE1-CD2 3.46Å; H382-H494 AromaticContact CE1-NE2 3.32Å; H382-H494 PolarHBondContact CE1-NE2 2.88Å; H382-H494 VanDerWaalsContact CE1-NE2 3.32Å; H382-H494 AromaticContact NE2-CD2 3.68Å; H382-H494 AromaticContact NE2-NE2 3.15Å; H382-H494 PolarHBondContact NE2-NE2 3.27Å; H382-H494 VanDerWaalsContact NE2-NE2 3.15Å; H420-H494 AromaticContact CD2-CE1 3.67Å; H420-H494 AromaticContact CD2-ND1 3.46Å; H420-H494 PolarHBondContact CD2-ND1 3.14Å; H420-H494 AromaticContact CE1-CD2 3.27Å; H420-H494 PolarHBondContact CE1-CD2 3.16Å; H420-H494 AromaticContact CE1-CE1 3.27Å; H420-H494 PolarHBondContact CE1-CE1 2.89Å; H420-H494 AromaticContact CE1-CG 3.31Å; H420-H494 AromaticContact CE1-ND1 3.31Å; H420-H494 PolarHBondContact CE1-ND1 3.29Å; H420-H494 VanDerWaalsContact CE1-ND1 3.31Å; H420-H494 AromaticContact CE1-NE2 3.35Å; H420-H494 PolarHBondContact CE1-NE2 3.21Å; H420-H494 VanDerWaalsContact CE1-NE2 3.35Å; H420-H494 AromaticContact CG-CG 3.87Å; H420-H494 AromaticContact CG-ND1 3.62Å; H420-H494 AromaticContact ND1-CD2 3.73Å; H420-H494 AromaticContact ND1-CE1 3.96Å; H420-H494 AromaticContact ND1-CG 3.35Å; H420-H494 VanDerWaalsContact ND1-CG 3.35Å; H420-H494 AromaticContact ND1-ND1 3.52Å; H420-H494 AromaticContact NE2-CD2 3.83Å; H420-H494 AromaticContact NE2-CE1 2.97Å; H420-H494 PolarHBondContact NE2-CE1 3.36Å; H420-H494 AromaticContact NE2-CG 3.73Å; H420-H494 AromaticContact NE2-ND1 3.2Å; H420-H494 PolarHBondContact NE2-ND1 3.49Å; H420-H494 VanDerWaalsContact NE2-ND1 3.2Å; H420-H494 AromaticContact NE2-NE2 3.47Å; H420-H494 PolarHBondContact NE2-NE2 3.26Å; S421-H494 WeakPolarHBondContact O-CA 3.42Å; S421-H494 WeakPolarHBondContact O-CB 3.48Å
495	S	98.3	Very high	97.7	Very high	27 Å²	27	44 Å²	44	19%	0.189	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	154.4	171	-177	0	0	0	0	111.3	S421 H422 E497	S421-S495 PolarHBondContact O-N 2.69Å; H422-S495 WeakPolarHBondContact O-CB 3.42Å; S495-E497 PolarHBondContact OG-OE2 3.44Å
496	A	97.7	Very high	97.7	Very high	43 Å²	43	44.2 Å²	44.2	36%	0.355	25%	0.252	S	S	.	.			trans	-90.1	-5.7	-178.3	0	0	0	0	0	114.1	L154	L154-A496 HydrophobicContact CB-CB 4.43Å
497	E	97.3	Very high	97.7	Very high	75 Å²	75	37.3 Å²	37.3	35%	0.35	22%	0.216	S	C	.	.	S	Bend	trans	-62.5	154.1	177.5	67.1	-149.1	-152	0	0	112.1	S421 S495	S421-E497 VanDerWaalsContact OG-CG 3.23Å; S421-E497 WeakPolarHBondContact OG-CG 3.48Å; S421-E497 PolarHBondContact OG-OE1 2.63Å; S495-E497 PolarHBondContact OG-OE2 3.44Å
498	D	98.5	Very high	97.7	Very high	47 Å²	47	33.9 Å²	33.9	25%	0.251	20%	0.196	S	C	.	.			trans	-62.4	147	176.6	-69.6	8.1	0	0	0	110.6	L145 V146 R147	L145-D498 HydrophobicContact CB-CB 4.05Å; V146-D498 VanDerWaalsContact O-CA 3.3Å; V146-D498 WeakPolarHBondContact O-CA 3.49Å; R147-D498 VanDerWaalsContact CG-OD1 3.25Å; R147-D498 WeakPolarHBondContact CG-OD1 3.26Å; R147-D498 WeakPolarHBondContact CG-OD2 3.45Å
499	V	98.8	Very high	97.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	154.2	176.9	-59.6	0	0	0	0	110.3	L145 V146 T148 A418	L145-V499 CarbonylContact C-O 3.43Å; L145-V499 WeakPolarHBondContact CA-O 3.34Å; V146-V499 HydrophobicContact CB-CG2 3.89Å; V146-V499 PolarHBondContact N-O 2.89Å; V146-V499 PolarHBondContact O-N 2.8Å; T148-V499 HydrophobicContact CG2-CB 4.43Å; T148-V499 HydrophobicContact CG2-CG1 4.02Å; T148-V499 HydrophobicContact CG2-CG2 3.61Å; A418-V499 HydrophobicContact CB-CB 3.9Å; A418-V499 HydrophobicContact CB-CG1 3.94Å; A418-V499 HydrophobicContact CB-CG2 4.18Å; A418-V499 WeakPolarHBondContact O-CG2 3.4Å
500	P	98.4	Very high	97.5	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.013	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	148.6	177.2	31.2	-33.4	0	0	0	111	L112 V115 S144 T417 Y502	L112-P500 HydrophobicContact CD2-CB 3.77Å; L112-P500 HydrophobicContact CD2-CG 3.93Å; L112-P500 HydrophobicContact CG-CG 4.48Å; V115-P500 HydrophobicContact CG2-CG 4.11Å; S144-P500 WeakPolarHBondContact O-CA 3.18Å; T417-P500 WeakPolarHBondContact CA-O 3.35Å; T417-P500 PolarHBondContact OG1-O 3.27Å; T417-P500 VanDerWaalsContact OG1-O 3.11Å; P500-Y502 HydrophobicContact CB-CD2 4.39Å; P500-Y502 HydrophobicContact CB-CE2 3.55Å; P500-Y502 HydrophobicContact CG-CE2 3.95Å
501	I	98.8	Very high	97.5	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	132.9	161.9	-175.1	161.2	0	0	0	109.8	A143 S144 V146 V416 F511 L515 I520	A143-I501 CarbonylContact C-O 3.59Å; A143-I501 WeakPolarHBondContact CA-O 3.4Å; S144-I501 PolarHBondContact N-O 2.86Å; S144-I501 PolarHBondContact O-N 3.28Å; V146-I501 HydrophobicContact CG2-CB 3.5Å; V146-I501 HydrophobicContact CG2-CD1 4.16Å; V146-I501 HydrophobicContact CG2-CG1 4.45Å; V146-I501 HydrophobicContact CG2-CG2 3.36Å; V416-I501 CarbonylContact O-C 3.57Å; V416-I501 VanDerWaalsContact O-CA 3.31Å; V416-I501 WeakPolarHBondContact O-CA 3.27Å; I501-F511 HydrophobicContact CD1-CD1 3.56Å; I501-F511 HydrophobicContact CD1-CE1 3.96Å; I501-F511 HydrophobicContact CD1-CG 4.32Å; I501-F511 HydrophobicContact CG1-CD1 4.48Å; I501-L515 HydrophobicContact CG2-CD2 3.97Å; I501-I520 HydrophobicContact CD1-CD1 3.97Å; I501-I520 HydrophobicContact CD1-CG1 4.01Å
502	Y	98.8	Very high	97.3	Very high	20 Å²	20	24.8 Å²	24.8	8%	0.078	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	137.1	174.6	-52.5	-92.8	0	0	0	108.3	W137 E138 V142 A143 L415 V416 P500	W137-Y502 HydrophobicContact CB-CG 4.25Å; W137-Y502 AromaticContact CD1-CD1 3.96Å; W137-Y502 AromaticContact CD1-CD2 3.25Å; W137-Y502 AromaticContact CD1-CE2 3.35Å; W137-Y502 AromaticContact CD1-CG 3.58Å; W137-Y502 AromaticContact CD1-CZ 3.77Å; W137-Y502 HydrophobicContact CG-CD2 4.05Å; W137-Y502 HydrophobicContact CG-CE2 4.48Å; W137-Y502 HydrophobicContact CG-CG 4.21Å; W137-Y502 AromaticContact NE1-CD2 3.83Å; W137-Y502 AromaticContact NE1-CE2 3.54Å; W137-Y502 VanDerWaalsContact O-CD1 3.29Å; W137-Y502 WeakPolarHBondContact O-CD1 3.41Å; E138-Y502 HydrophobicContact CG-CE1 4.19Å; V142-Y502 CarbonylContact O-C 3.58Å; V142-Y502 VanDerWaalsContact O-CA 3.27Å; V142-Y502 WeakPolarHBondContact O-CA 3.15Å; A143-Y502 HydrophobicContact CB-CD1 3.66Å; A143-Y502 HydrophobicContact CB-CE1 3.84Å; L415-Y502 WeakPolarHBondContact CA-O 3.33Å; V416-Y502 HydrophobicContact CB-CD2 4.4Å; V416-Y502 HydrophobicContact CG1-CD2 4.38Å; V416-Y502 PolarHBondContact N-O 3.37Å; V416-Y502 PolarHBondContact O-N 3.17Å; P500-Y502 HydrophobicContact CB-CD2 4.39Å; P500-Y502 HydrophobicContact CB-CE2 3.55Å; P500-Y502 HydrophobicContact CG-CE2 3.95Å
503	A	98.6	Very high	97.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	140.5	178.8	0	0	0	0	0	112	V142 L414 L415 F511	V142-A503 HydrophobicContact CB-CB 4.07Å; V142-A503 HydrophobicContact CG1-CB 4.09Å; V142-A503 PolarHBondContact N-O 3.05Å; V142-A503 PolarHBondContact O-N 3.03Å; L414-A503 WeakPolarHBondContact O-CA 3.17Å; L415-A503 HydrophobicContact CD2-CB 3.53Å; A503-F511 HydrophobicContact CB-CB 4.01Å; A503-F511 HydrophobicContact CB-CD2 3.88Å; A503-F511 HydrophobicContact CB-CG 4.17Å
504	S	97.7	Very high	97.1	Very high	10 Å²	10	26.7 Å²	26.7	7%	0.07	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	154.7	174.2	-173.7	0	0	0	0	110.9	L414	L414-S504 PolarHBondContact N-O 3.15Å; L414-S504 PolarHBondContact O-N 3.11Å
505	G	96.2	Very high	97.1	Very high	17 Å²	17	25.6 Å²	25.6	18%	0.175	15%	0.151	C	C	.	.	S	Bend	trans	86.7	-171.4	-177.9	0	0	0	0	0	114.3	Q409 F507 S508	Q409-G505 VanDerWaalsContact O-CA 3.28Å; Q409-G505 WeakPolarHBondContact O-CA 3.48Å; G505-F507 PolarHBondContact O-N 2.74Å; G505-S508 WeakPolarHBondContact O-CB 3.45Å; G505-S508 PolarHBondContact O-N 3.1Å; G505-S508 VanDerWaalsContact O-N 3.16Å; G505-S508 PolarHBondContact O-OG 3.06Å
506	P	95.1	Very high	97.1	Very high	8 Å²	8	24.7 Å²	24.7	5%	0.052	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	137.4	-175.1	-24.2	32	0	0	0	113.1	K97 P99 Q409 Q410 L413 S508	K97-P506 VanDerWaalsContact O-CB 3.24Å; K97-P506 WeakPolarHBondContact O-CB 3.39Å; P99-P506 HydrophobicContact CB-CB 4.06Å; P99-P506 HydrophobicContact CB-CG 4.3Å; P99-P506 HydrophobicContact CG-CB 4.4Å; Q409-P506 VanDerWaalsContact O-CD 3.29Å; Q409-P506 WeakPolarHBondContact O-CD 3.31Å; Q410-P506 WeakPolarHBondContact O-CG 3.35Å; L413-P506 WeakPolarHBondContact CD1-O 3.5Å; P506-S508 PolarHBondContact O-N 3.43Å
507	F	95.7	Very high	97.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.6	12.8	-177.9	-63.2	4.7	0	0	0	114.8	F87 L96 R98 G505 D509 L510 Y526 H538	F87-F507 AromaticContact CE1-CD1 3.95Å; F87-F507 HydrophobicContact CE1-CD1 3.95Å; F87-F507 HydrophobicContact CE1-CD2 4.29Å; F87-F507 HydrophobicContact CE1-CE1 4.11Å; F87-F507 HydrophobicContact CE1-CE2 4.43Å; F87-F507 HydrophobicContact CE1-CG 4.05Å; F87-F507 HydrophobicContact CE1-CZ 4.34Å; F87-F507 HydrophobicContact CZ-CB 4.32Å; F87-F507 AromaticContact CZ-CD1 3.77Å; F87-F507 HydrophobicContact CZ-CD1 3.77Å; F87-F507 HydrophobicContact CZ-CE1 4.24Å; F87-F507 HydrophobicContact CZ-CG 4.05Å; L96-F507 HydrophobicContact CB-CD1 4.37Å; L96-F507 HydrophobicContact CB-CE1 4.33Å; R98-F507 HydrophobicContact CB-CE1 4.42Å; R98-F507 HydrophobicContact CB-CE2 4.01Å; R98-F507 HydrophobicContact CB-CZ 3.8Å; G505-F507 PolarHBondContact O-N 2.74Å; F507-D509 PolarHBondContact O-N 2.8Å; F507-L510 HydrophobicContact CB-CD1 3.91Å; F507-L510 HydrophobicContact CB-CG 4.38Å; F507-L510 HydrophobicContact CD2-CD1 4.33Å; F507-L510 WeakPolarHBondContact O-CB 3.44Å; F507-L510 WeakPolarHBondContact O-CG 3.14Å; F507-L510 PolarHBondContact O-N 2.69Å; F507-Y526 HydrophobicContact CD2-CD1 4.29Å; F507-Y526 HydrophobicContact CD2-CE1 4.21Å; F507-Y526 HydrophobicContact CE2-CD1 4.18Å; F507-Y526 AromaticContact CE2-CE1 3.84Å; F507-Y526 HydrophobicContact CE2-CE1 3.84Å; F507-H538 AromaticContact CE2-CD2 3.64Å; F507-H538 AromaticContact CE2-NE2 3.71Å; F507-H538 HydrophobicContact CZ-CB 4.43Å; F507-H538 AromaticContact CZ-CD2 3.77Å
508	S	96	Very high	97.2	Very high	9 Å²	9	19.5 Å²	19.5	6%	0.063	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-56.4	-30.8	171.3	49.8	0	0	0	0	113	G505 P506 L510 F511	G505-S508 WeakPolarHBondContact O-CB 3.45Å; G505-S508 PolarHBondContact O-N 3.1Å; G505-S508 VanDerWaalsContact O-N 3.16Å; G505-S508 PolarHBondContact O-OG 3.06Å; P506-S508 PolarHBondContact O-N 3.43Å; S508-L510 PolarHBondContact O-N 3.1Å; S508-F511 WeakPolarHBondContact O-CB 3.2Å; S508-F511 WeakPolarHBondContact O-CD2 3.43Å; S508-F511 PolarHBondContact O-N 3.09Å
509	D	94.5	Very high	97.2	Very high	46 Å²	46	17.6 Å²	17.6	25%	0.246	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-58.4	-17.9	174.5	-74.3	-15.2	0	0	0	114.1	F87 S92 F507 F511 H512	F87-D509 HydrophobicContact CE2-CB 3.96Å; S92-D509 WeakPolarHBondContact CB-OD2 3.24Å; S92-D509 PolarHBondContact OG-OD2 3.16Å; F507-D509 PolarHBondContact O-N 2.8Å; D509-F511 PolarHBondContact O-N 3.16Å; D509-H512 PolarHBondContact O-N 3.01Å; D509-H512 PolarHBondContact O-ND1 3.11Å
510	L	95.9	Very high	97.2	Very high	5 Å²	5	17.6 Å²	17.6	3%	0.026	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-57.5	-23.6	171.3	-72.7	171.8	0	0	0	112.6	R83 F84 F87 F507 S508 F519 A523 Y526	R83-L510 PolarHBondContact NH2-O 2.94Å; R83-L510 VanDerWaalsContact NH2-O 3.08Å; F84-L510 HydrophobicContact CD1-CD2 3.8Å; F84-L510 HydrophobicContact CE1-CD1 4.25Å; F84-L510 HydrophobicContact CE1-CD2 4.01Å; F87-L510 HydrophobicContact CB-CD2 3.63Å; F87-L510 HydrophobicContact CD1-CD2 3.5Å; F87-L510 VanDerWaalsContact CD1-CD2 3.5Å; F87-L510 HydrophobicContact CD1-CG 4.15Å; F87-L510 HydrophobicContact CD2-CD2 3.84Å; F87-L510 HydrophobicContact CD2-CG 4.26Å; F87-L510 HydrophobicContact CE1-CD2 4.06Å; F87-L510 HydrophobicContact CE1-CG 4.21Å; F87-L510 HydrophobicContact CE2-CD2 4.39Å; F87-L510 HydrophobicContact CE2-CG 4.35Å; F87-L510 HydrophobicContact CG-CD2 3.35Å; F87-L510 HydrophobicContact CG-CG 4.16Å; F87-L510 HydrophobicContact CZ-CD2 4.48Å; F87-L510 HydrophobicContact CZ-CG 4.32Å; F507-L510 HydrophobicContact CB-CD1 3.91Å; F507-L510 HydrophobicContact CB-CG 4.38Å; F507-L510 HydrophobicContact CD2-CD1 4.33Å; F507-L510 WeakPolarHBondContact O-CB 3.44Å; F507-L510 WeakPolarHBondContact O-CG 3.14Å; F507-L510 PolarHBondContact O-N 2.69Å; S508-L510 PolarHBondContact O-N 3.1Å; L510-F519 HydrophobicContact CB-CE1 4.17Å; L510-F519 HydrophobicContact CB-CZ 4.42Å; L510-F519 HydrophobicContact CD2-CZ 4.28Å; L510-F519 WeakPolarHBondContact O-CE1 3.34Å; L510-A523 HydrophobicContact CD1-CB 4.09Å; L510-Y526 HydrophobicContact CD1-CD1 4.29Å
511	F	97.4	Very high	97.3	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-103	7.4	-173.7	-55.6	-85.2	0	0	0	113.9	V142 S144 L413 L415 I501 A503 S508 D509 S513 L515 F519 I520 A523	V142-F511 VanDerWaalsContact CG1-C 3.46Å; V142-F511 HydrophobicContact CG1-CB 3.94Å; V142-F511 WeakPolarHBondContact CG1-O 3.39Å; S144-F511 WeakPolarHBondContact CB-O 3.3Å; S144-F511 PolarHBondContact OG-O 2.71Å; L413-F511 HydrophobicContact CD1-CE2 4.45Å; L413-F511 HydrophobicContact CD2-CE2 4.24Å; L415-F511 HydrophobicContact CD1-CE1 4.22Å; L415-F511 HydrophobicContact CD1-CE2 4.12Å; L415-F511 HydrophobicContact CD1-CZ 3.65Å; L415-F511 HydrophobicContact CD2-CD1 4.43Å; L415-F511 HydrophobicContact CD2-CD2 3.69Å; L415-F511 HydrophobicContact CD2-CE1 4.23Å; L415-F511 HydrophobicContact CD2-CE2 3.49Å; L415-F511 VanDerWaalsContact CD2-CE2 3.49Å; L415-F511 HydrophobicContact CD2-CG 4.17Å; L415-F511 HydrophobicContact CD2-CZ 3.76Å; L415-F511 HydrophobicContact CG-CE2 4.43Å; L415-F511 HydrophobicContact CG-CZ 4.38Å; I501-F511 HydrophobicContact CD1-CD1 3.56Å; I501-F511 HydrophobicContact CD1-CE1 3.96Å; I501-F511 HydrophobicContact CD1-CG 4.32Å; I501-F511 HydrophobicContact CG1-CD1 4.48Å; A503-F511 HydrophobicContact CB-CB 4.01Å; A503-F511 HydrophobicContact CB-CD2 3.88Å; A503-F511 HydrophobicContact CB-CG 4.17Å; S508-F511 WeakPolarHBondContact O-CB 3.2Å; S508-F511 WeakPolarHBondContact O-CD2 3.43Å; S508-F511 PolarHBondContact O-N 3.09Å; D509-F511 PolarHBondContact O-N 3.16Å; F511-S513 PolarHBondContact O-N 2.65Å; F511-S513 VanDerWaalsContact O-N 3.17Å; F511-L515 HydrophobicContact CD1-CD1 3.98Å; F511-L515 HydrophobicContact CE1-CD1 4.37Å; F511-F519 HydrophobicContact CE1-CD1 4.5Å; F511-I520 HydrophobicContact CE1-CG1 4.24Å; F511-A523 HydrophobicContact CE1-CB 4.09Å; F511-A523 HydrophobicContact CE2-CB 4.23Å; F511-A523 HydrophobicContact CZ-CB 3.52Å
512	H	94.9	Very high	97.3	Very high	127 Å²	127	18 Å²	18	59%	0.588	10%	0.104	S	C	*	.	S	Bend	trans	-65.6	-17.2	-175.3	76.6	-86.6	0	0	0	115.7	V142 D509	V142-H512 HydrophobicContact CG1-CB 4.47Å; D509-H512 PolarHBondContact O-N 3.01Å; D509-H512 PolarHBondContact O-ND1 3.11Å
513	S	95.8	Very high	97.2	Very high	39 Å²	39	17 Å²	17	27%	0.273	10%	0.1	S	C	.	.	S	Bend	trans	-122.3	158.8	-177.6	87.6	0	0	0	0	110.5	R83 S144 F511 L515	R83-S513 PolarHBondContact NH1-OG 3.13Å; R83-S513 PolarHBondContact NH2-OG 2.87Å; S144-S513 PolarHBondContact OG-O 3.33Å; F511-S513 PolarHBondContact O-N 2.65Å; F511-S513 VanDerWaalsContact O-N 3.17Å; S513-L515 WeakPolarHBondContact O-CD2 3.48Å; S513-L515 PolarHBondContact O-N 3.26Å
514	S	97.2	Very high	97.3	Very high	61 Å²	61	17 Å²	17	43%	0.427	10%	0.1	S	C	.	.			trans	-54.3	140.3	175	175.3	0	0	0	0	111.3	R83 S144 L145	R83-S514 PolarHBondContact NH1-O 3.01Å; S144-S514 WeakPolarHBondContact OG-CA 3.47Å; S144-S514 PolarHBondContact OG-N 3.41Å; S144-S514 VanDerWaalsContact OG-N 3.08Å; L145-S514 VanDerWaalsContact O-CA 3.25Å; L145-S514 WeakPolarHBondContact O-CA 3.16Å; L145-S514 PolarHBondContact O-OG 3.09Å
515	L	98	Very high	97.3	Very high	2 Å²	2	16.8 Å²	16.8	1%	0.01	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	170.9	-172.7	59.2	144	0	0	0	112.6	L145 V146 R147 I501 F511 S513 F519 I520	L145-L515 PolarHBondContact O-N 3.29Å; V146-L515 WeakPolarHBondContact CA-O 3.37Å; V146-L515 HydrophobicContact CG2-CD1 4.27Å; V146-L515 HydrophobicContact CG2-CD2 4.24Å; V146-L515 HydrophobicContact CG2-CG 4.08Å; R147-L515 PolarHBondContact N-O 3.41Å; I501-L515 HydrophobicContact CG2-CD2 3.97Å; F511-L515 HydrophobicContact CD1-CD1 3.98Å; F511-L515 HydrophobicContact CE1-CD1 4.37Å; S513-L515 WeakPolarHBondContact O-CD2 3.48Å; S513-L515 PolarHBondContact O-N 3.26Å; L515-F519 HydrophobicContact CB-CB 4.44Å; L515-F519 HydrophobicContact CB-CD1 4.4Å; L515-F519 HydrophobicContact CD1-CB 4.1Å; L515-F519 HydrophobicContact CD1-CD1 3.82Å; L515-F519 HydrophobicContact CD1-CG 4.45Å; L515-I520 HydrophobicContact CD1-CG1 4.04Å
516	D	98.1	Very high	97.4	Very high	8 Å²	8	16 Å²	16	4%	0.043	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	145.9	168.4	-166.1	-97.7	0	0	0	109.8	W76 R147 F149 K170 T518 F519	W76-D516 HydrophobicContact CE3-CB 4.48Å; W76-D516 HydrophobicContact CZ3-CB 3.99Å; W76-D516 VanDerWaalsContact CZ3-CG 3.45Å; R147-D516 IonicContact CZ-OD2 2.62Å; R147-D516 IonicContact NH1-OD2 2.78Å; R147-D516 PolarHBondContact NH1-OD2 2.6Å; R147-D516 VanDerWaalsContact NH2-CB 3.34Å; R147-D516 VanDerWaalsContact NH2-N 3.11Å; R147-D516 IonicContact NH2-OD2 3.52Å; F149-D516 WeakPolarHBondContact CE1-OD2 3.39Å; K170-D516 WeakPolarHBondContact CE-OD1 3.32Å; K170-D516 VanDerWaalsContact CE-OD2 3.26Å; K170-D516 WeakPolarHBondContact CE-OD2 3.47Å; K170-D516 IonicContact NZ-OD1 2.92Å; K170-D516 PolarHBondContact NZ-OD1 2.7Å; K170-D516 IonicContact NZ-OD2 3.99Å; K170-D516 PolarHBondContact NZ-OD2 3.41Å; D516-T518 PolarHBondContact O-N 2.99Å; D516-T518 VanDerWaalsContact O-N 3.11Å; D516-T518 VanDerWaalsContact OD1-CB 3.28Å; D516-T518 WeakPolarHBondContact OD1-CB 3.37Å; D516-T518 VanDerWaalsContact OD1-CG2 3.24Å; D516-T518 WeakPolarHBondContact OD1-CG2 3.41Å; D516-T518 PolarHBondContact OD1-N 3Å; D516-T518 PolarHBondContact OD1-OG1 3.42Å; D516-F519 WeakPolarHBondContact O-CB 3.41Å; D516-F519 PolarHBondContact O-N 2.82Å
517	N	98.5	Very high	97.5	Very high	4 Å²	4	15.6 Å²	15.6	2%	0.021	9%	0.087	C	C	.	.	H	α-helix	trans	-58.1	-24.9	175.6	61.2	-4.8	0	0	0	113.8	V146 R147 T148 A164 F165 K170 F519 I520	V146-N517 VanDerWaalsContact CG1-CA 3.48Å; V146-N517 HydrophobicContact CG1-CB 3.62Å; R147-N517 PolarHBondContact O-N 2.78Å; T148-N517 WeakPolarHBondContact CA-ND2 3.4Å; T148-N517 PolarHBondContact O-ND2 3.25Å; A164-N517 HydrophobicContact CB-CB 4.42Å; A164-N517 VanDerWaalsContact CB-OD1 3.31Å; A164-N517 WeakPolarHBondContact CB-OD1 3.34Å; F165-N517 VanDerWaalsContact CA-O 3.25Å; F165-N517 WeakPolarHBondContact CA-O 3.17Å; K170-N517 PolarHBondContact NZ-OD1 2.91Å; N517-F519 PolarHBondContact O-N 2.86Å; N517-I520 PolarHBondContact O-N 3.27Å
518	T	98.7	Very high	97.6	Very high	4 Å²	4	15.6 Å²	15.6	3%	0.025	9%	0.087	C	C	.	.	H	α-helix	trans	-60.6	-31.4	171.8	55	0	0	0	0	113.6	W76 A164 G168 K170 D516 I520 A521 H522	W76-T518 HydrophobicContact CB-CG2 4.4Å; W76-T518 HydrophobicContact CD2-CG2 3.89Å; W76-T518 HydrophobicContact CE3-CG2 4.12Å; W76-T518 HydrophobicContact CG-CG2 3.99Å; A164-T518 HydrophobicContact CB-CG2 3.82Å; A164-T518 WeakPolarHBondContact O-CA 3.19Å; G168-T518 WeakPolarHBondContact CA-O 3.18Å; K170-T518 HydrophobicContact CD-CG2 3.95Å; K170-T518 HydrophobicContact CG-CG2 4.09Å; D516-T518 PolarHBondContact O-N 2.99Å; D516-T518 VanDerWaalsContact O-N 3.11Å; D516-T518 VanDerWaalsContact OD1-CB 3.28Å; D516-T518 WeakPolarHBondContact OD1-CB 3.37Å; D516-T518 VanDerWaalsContact OD1-CG2 3.24Å; D516-T518 WeakPolarHBondContact OD1-CG2 3.41Å; D516-T518 PolarHBondContact OD1-N 3Å; D516-T518 PolarHBondContact OD1-OG1 3.42Å; T518-I520 PolarHBondContact O-N 3.43Å; T518-A521 PolarHBondContact O-N 3.43Å; T518-H522 PolarHBondContact O-CD2 3.44Å
519	F	98.8	Very high	97.6	Very high	7 Å²	7	16.2 Å²	16.2	3%	0.031	9%	0.091	C	C	.	.	H	α-helix	trans	-66.1	-26.8	-178	-176.1	-106.3	0	0	0	112.4	A80 R83 F84 L510 F511 L515 D516 N517 A521 H522 A523	A80-F519 HydrophobicContact CB-CD2 3.74Å; A80-F519 HydrophobicContact CB-CE2 4.07Å; R83-F519 HydrophobicContact CB-CD2 4.43Å; R83-F519 HydrophobicContact CB-CE2 3.59Å; R83-F519 HydrophobicContact CB-CZ 3.83Å; R83-F519 HydrophobicContact CG-CE2 4.21Å; F84-F519 HydrophobicContact CD1-CE2 4.19Å; F84-F519 HydrophobicContact CD1-CZ 4.18Å; F84-F519 AromaticContact CE1-CE2 3.52Å; F84-F519 HydrophobicContact CE1-CE2 3.52Å; F84-F519 AromaticContact CE1-CZ 3.54Å; F84-F519 HydrophobicContact CE1-CZ 3.54Å; F84-F519 HydrophobicContact CE2-CE2 4.39Å; F84-F519 HydrophobicContact CZ-CD2 4.42Å; F84-F519 AromaticContact CZ-CE2 3.62Å; F84-F519 HydrophobicContact CZ-CE2 3.62Å; F84-F519 HydrophobicContact CZ-CZ 4.09Å; L510-F519 HydrophobicContact CB-CE1 4.17Å; L510-F519 HydrophobicContact CB-CZ 4.42Å; L510-F519 HydrophobicContact CD2-CZ 4.28Å; L510-F519 WeakPolarHBondContact O-CE1 3.34Å; F511-F519 HydrophobicContact CE1-CD1 4.5Å; L515-F519 HydrophobicContact CB-CB 4.44Å; L515-F519 HydrophobicContact CB-CD1 4.4Å; L515-F519 HydrophobicContact CD1-CB 4.1Å; L515-F519 HydrophobicContact CD1-CD1 3.82Å; L515-F519 HydrophobicContact CD1-CG 4.45Å; D516-F519 WeakPolarHBondContact O-CB 3.41Å; D516-F519 PolarHBondContact O-N 2.82Å; N517-F519 PolarHBondContact O-N 2.86Å; F519-A521 VanDerWaalsContact C-N 3.31Å; F519-A521 PolarHBondContact O-N 3Å; F519-H522 PolarHBondContact O-N 3.34Å; F519-A523 HydrophobicContact CD1-CB 4.22Å; F519-A523 HydrophobicContact CE1-CB 3.93Å; F519-A523 HydrophobicContact CZ-CB 4.19Å; F519-A523 VanDerWaalsContact O-CB 3.27Å; F519-A523 WeakPolarHBondContact O-CB 3.39Å; F519-A523 PolarHBondContact O-N 3.48Å
520	I	98.9	Very high	97.8	Very high	1 Å²	1	14 Å²	14	1%	0.005	8%	0.08	C	C	.	.	H	α-helix	trans	-58.3	-44.3	178.1	-60.3	169.6	0	0	0	110.9	L104 V146 F165 L415 T417 I501 F511 L515 N517 T518 T524	L104-I520 HydrophobicContact CD1-CG2 4.08Å; L104-I520 HydrophobicContact CD2-CG2 4.14Å; V146-I520 HydrophobicContact CG1-CD1 4.25Å; F165-I520 HydrophobicContact CB-CB 4.02Å; F165-I520 HydrophobicContact CB-CD1 3.96Å; F165-I520 HydrophobicContact CB-CG2 4.2Å; L415-I520 HydrophobicContact CD1-CG2 4.28Å; T417-I520 HydrophobicContact CG2-CD1 4.17Å; I501-I520 HydrophobicContact CD1-CD1 3.97Å; I501-I520 HydrophobicContact CD1-CG1 4.01Å; F511-I520 HydrophobicContact CE1-CG1 4.24Å; L515-I520 HydrophobicContact CD1-CG1 4.04Å; N517-I520 PolarHBondContact O-N 3.27Å; T518-I520 PolarHBondContact O-N 3.43Å; I520-T524 WeakPolarHBondContact O-CB 3.35Å; I520-T524 PolarHBondContact O-N 3.31Å; I520-T524 PolarHBondContact O-OG1 3.37Å
521	A	98.9	Very high	97.8	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-65.6	-45.7	177.4	0	0	0	0	0	111.8	F165 T518 F519 T524 M525	F165-A521 WeakPolarHBondContact O-CA 3.31Å; F165-A521 WeakPolarHBondContact O-CB 3.45Å; F165-A521 PolarHBondContact O-N 3Å; T518-A521 PolarHBondContact O-N 3.43Å; F519-A521 VanDerWaalsContact C-N 3.31Å; F519-A521 PolarHBondContact O-N 3Å; A521-T524 PolarHBondContact O-N 2.93Å; A521-M525 HydrophobicContact CB-CE 4.35Å; A521-M525 WeakPolarHBondContact O-CE 3.37Å; A521-M525 WeakPolarHBondContact O-CG 3.23Å; A521-M525 PolarHBondContact O-N 3.29Å
522	H	98.8	Very high	97.8	Very high	9 Å²	9	17.5 Å²	17.5	4%	0.042	11%	0.107	C	C	.	.	H	α-helix	trans	-62.4	-47	179	-74.9	-74.2	0	0	0	111.2	A80 F84 G168 T518 F519 T524 M525 Y526 Y533	A80-H522 HydrophobicContact CB-CB 3.51Å; F84-H522 HydrophobicContact CE2-CB 4.19Å; F84-H522 HydrophobicContact CZ-CB 3.98Å; G168-H522 PolarHBondContact O-NE2 2.82Å; G168-H522 VanDerWaalsContact O-NE2 3.12Å; T518-H522 PolarHBondContact O-CD2 3.44Å; F519-H522 PolarHBondContact O-N 3.34Å; H522-T524 VanDerWaalsContact C-N 3.33Å; H522-T524 PolarHBondContact O-N 2.88Å; H522-M525 PolarHBondContact O-N 3.34Å; H522-Y526 VanDerWaalsContact O-CB 3.26Å; H522-Y526 WeakPolarHBondContact O-CB 3.42Å; H522-Y526 PolarHBondContact O-N 2.98Å; H522-Y533 HydrophobicContact CB-CE2 4.05Å; H522-Y533 AromaticContact ND1-CE2 3.46Å; H522-Y533 WeakPolarHBondContact ND1-CE2 3.5Å; H522-Y533 AromaticContact ND1-CZ 3.58Å; H522-Y533 PolarHBondContact ND1-OH 3.15Å
523	A	98.5	Very high	97.9	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-62.7	-39.7	178	0	0	0	0	0	111.5	F84 L510 F511 F519 Y526 S527	F84-A523 HydrophobicContact CE1-CB 4.27Å; F84-A523 HydrophobicContact CZ-CB 4.43Å; L510-A523 HydrophobicContact CD1-CB 4.09Å; F511-A523 HydrophobicContact CE1-CB 4.09Å; F511-A523 HydrophobicContact CE2-CB 4.23Å; F511-A523 HydrophobicContact CZ-CB 3.52Å; F519-A523 HydrophobicContact CD1-CB 4.22Å; F519-A523 HydrophobicContact CE1-CB 3.93Å; F519-A523 HydrophobicContact CZ-CB 4.19Å; F519-A523 VanDerWaalsContact O-CB 3.27Å; F519-A523 WeakPolarHBondContact O-CB 3.39Å; F519-A523 PolarHBondContact O-N 3.48Å; A523-Y526 PolarHBondContact O-N 3.06Å; A523-S527 VanDerWaalsContact O-CB 3.24Å; A523-S527 WeakPolarHBondContact O-CB 3.31Å; A523-S527 PolarHBondContact O-N 3.26Å; A523-S527 PolarHBondContact O-OG 3.14Å
524	T	98.8	Very high	97.9	Very high	1 Å²	1	13 Å²	13	1%	0.006	9%	0.087	C	C	.	.	H	α-helix	trans	-59.5	-49.9	173	-62.1	0	0	0	0	111.3	V102 L369 I520 A521 H522 S527 L528	V102-T524 HydrophobicContact CB-CG2 4.48Å; V102-T524 HydrophobicContact CG1-CG2 4.11Å; V102-T524 HydrophobicContact CG2-CG2 4.48Å; L369-T524 HydrophobicContact CD1-CG2 3.68Å; L369-T524 HydrophobicContact CD2-CG2 3.96Å; L369-T524 HydrophobicContact CG-CG2 4.5Å; I520-T524 WeakPolarHBondContact O-CB 3.35Å; I520-T524 PolarHBondContact O-N 3.31Å; I520-T524 PolarHBondContact O-OG1 3.37Å; A521-T524 PolarHBondContact O-N 2.93Å; H522-T524 VanDerWaalsContact C-N 3.33Å; H522-T524 PolarHBondContact O-N 2.88Å; T524-S527 PolarHBondContact O-N 3.16Å; T524-L528 HydrophobicContact CG2-CD1 4.35Å; T524-L528 PolarHBondContact O-N 3.03Å; T524-L528 VanDerWaalsContact O-N 3.12Å
525	M	98.7	Very high	97.7	Very high	4 Å²	4	16.8 Å²	16.8	2%	0.02	10%	0.102	C	C	.	.	H	α-helix	trans	-68	-37.4	-179	-69.3	-175.8	-73.7	0	0	112.8	Y202 A521 H522 C529 I530 P532 Y533	Y202-M525 HydrophobicContact CD2-SD 3.45Å; Y202-M525 WeakPolarHBondContact CD2-SD 3.2Å; Y202-M525 HydrophobicContact CE2-SD 3.86Å; Y202-M525 HydrophobicContact CG-SD 4.25Å; A521-M525 HydrophobicContact CB-CE 4.35Å; A521-M525 WeakPolarHBondContact O-CE 3.37Å; A521-M525 WeakPolarHBondContact O-CG 3.23Å; A521-M525 PolarHBondContact O-N 3.29Å; H522-M525 PolarHBondContact O-N 3.34Å; M525-C529 PolarHBondContact O-N 3.03Å; M525-I530 HydrophobicContact CB-CG1 3.91Å; M525-I530 HydrophobicContact CG-CD1 4.15Å; M525-I530 HydrophobicContact CG-CG1 3.97Å; M525-I530 PolarHBondContact O-N 3.46Å; M525-P532 HydrophobicContact CE-CG 4.38Å; M525-P532 HydrophobicContact SD-CG 4.39Å; M525-Y533 HydrophobicContact CB-CD2 3.72Å; M525-Y533 HydrophobicContact CB-CE2 4.33Å
526	Y	97.8	Very high	97.4	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-62.3	-46.7	173.7	177.3	-88.9	0	0	0	111.5	F84 F87 E88 F507 L510 H522 A523 L528 C529 Y533 Q536 H538	F84-Y526 HydrophobicContact CB-CD2 4.24Å; F84-Y526 HydrophobicContact CB-CE2 3.81Å; F84-Y526 AromaticContact CD1-CD1 3.98Å; F84-Y526 HydrophobicContact CD1-CD1 3.98Å; F84-Y526 AromaticContact CD1-CD2 3.94Å; F84-Y526 HydrophobicContact CD1-CD2 3.94Å; F84-Y526 HydrophobicContact CD1-CE1 4.17Å; F84-Y526 HydrophobicContact CD1-CE2 4.14Å; F84-Y526 AromaticContact CD1-CG 3.86Å; F84-Y526 HydrophobicContact CD1-CG 3.86Å; F84-Y526 AromaticContact CD2-CD2 3.67Å; F84-Y526 HydrophobicContact CD2-CD2 3.67Å; F84-Y526 HydrophobicContact CD2-CE2 4.13Å; F84-Y526 HydrophobicContact CD2-CG 4.19Å; F84-Y526 HydrophobicContact CE1-CD1 4.04Å; F84-Y526 HydrophobicContact CE1-CD2 4.25Å; F84-Y526 AromaticContact CE1-CG 3.82Å; F84-Y526 HydrophobicContact CE1-CG 3.82Å; F84-Y526 HydrophobicContact CE2-CD2 4.01Å; F84-Y526 HydrophobicContact CE2-CG 4.15Å; F84-Y526 AromaticContact CG-CD2 3.67Å; F84-Y526 HydrophobicContact CG-CD2 3.67Å; F84-Y526 AromaticContact CG-CE2 3.77Å; F84-Y526 HydrophobicContact CG-CE2 3.77Å; F84-Y526 HydrophobicContact CG-CG 4.09Å; F84-Y526 HydrophobicContact CZ-CD2 4.29Å; F84-Y526 AromaticContact CZ-CG 3.98Å; F84-Y526 HydrophobicContact CZ-CG 3.98Å; F87-Y526 HydrophobicContact CD1-CE1 4.36Å; F87-Y526 HydrophobicContact CE1-CE1 4.48Å; E88-Y526 VanDerWaalsContact CG-OH 3.28Å; E88-Y526 WeakPolarHBondContact CG-OH 3.26Å; E88-Y526 PolarHBondContact OE1-OH 3.36Å; F507-Y526 HydrophobicContact CD2-CD1 4.29Å; F507-Y526 HydrophobicContact CD2-CE1 4.21Å; F507-Y526 HydrophobicContact CE2-CD1 4.18Å; F507-Y526 AromaticContact CE2-CE1 3.84Å; F507-Y526 HydrophobicContact CE2-CE1 3.84Å; L510-Y526 HydrophobicContact CD1-CD1 4.29Å; H522-Y526 VanDerWaalsContact O-CB 3.26Å; H522-Y526 WeakPolarHBondContact O-CB 3.42Å; H522-Y526 PolarHBondContact O-N 2.98Å; A523-Y526 PolarHBondContact O-N 3.06Å; Y526-L528 VanDerWaalsContact C-N 3.34Å; Y526-L528 PolarHBondContact O-N 2.96Å; Y526-C529 PolarHBondContact O-N 3.47Å; Y526-Y533 AromaticContact CD2-CD1 3.95Å; Y526-Y533 HydrophobicContact CD2-CD1 3.95Å; Y526-Y533 HydrophobicContact CD2-CE1 4.48Å; Y526-Y533 HydrophobicContact CD2-CG 4.34Å; Y526-Q536 HydrophobicContact CD2-CB 4.5Å; Y526-Q536 HydrophobicContact CD2-CG 3.73Å; Y526-Q536 HydrophobicContact CE2-CB 4.11Å; Y526-Q536 HydrophobicContact CE2-CG 3.75Å; Y526-H538 AromaticContact CD1-CE1 3.78Å; Y526-H538 AromaticContact CD2-CE1 3.94Å; Y526-H538 AromaticContact CE1-CE1 3.31Å; Y526-H538 WeakPolarHBondContact CE1-CE1 3.34Å; Y526-H538 AromaticContact CE1-ND1 4Å; Y526-H538 AromaticContact CE1-NE2 3.84Å; Y526-H538 AromaticContact CE2-CE1 3.5Å; Y526-H538 VanDerWaalsContact CE2-CE1 3.5Å; Y526-H538 WeakPolarHBondContact CE2-CE1 3.1Å; Y526-H538 AromaticContact CZ-CE1 3.16Å; Y526-H538 AromaticContact CZ-ND1 3.62Å; Y526-H538 PolarHBondContact O-NE2 3.09Å; Y526-H538 PolarHBondContact OH-ND1 3.27Å
527	S	97	Very high	96.9	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-64.1	-38.2	-179.2	-58.1	0	0	0	0	112.4	A523 T524	A523-S527 VanDerWaalsContact O-CB 3.24Å; A523-S527 WeakPolarHBondContact O-CB 3.31Å; A523-S527 PolarHBondContact O-N 3.26Å; A523-S527 PolarHBondContact O-OG 3.14Å; T524-S527 PolarHBondContact O-N 3.16Å
528	L	97.6	Very high	96.5	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.005	13%	0.13	C	C	.	.	H	α-helix	trans	-89.7	-2.3	179.7	-67.5	178.6	0	0	0	114.4	V102 F208 L369 T524 Y526 I530	V102-L528 HydrophobicContact CB-CD1 4.21Å; V102-L528 HydrophobicContact CG2-CD1 3.83Å; V102-L528 HydrophobicContact CG2-CD2 3.81Å; V102-L528 HydrophobicContact CG2-CG 3.65Å; F208-L528 HydrophobicContact CD1-CD2 4.44Å; F208-L528 HydrophobicContact CE1-CB 4.48Å; F208-L528 HydrophobicContact CE1-CD2 3.83Å; F208-L528 HydrophobicContact CZ-CB 4.31Å; F208-L528 HydrophobicContact CZ-CD2 4.4Å; F208-L528 WeakPolarHBondContact CZ-O 3.31Å; L369-L528 HydrophobicContact CB-CD1 4Å; L369-L528 HydrophobicContact CD1-CD1 4.42Å; L369-L528 HydrophobicContact CD2-CD1 4.43Å; T524-L528 HydrophobicContact CG2-CD1 4.35Å; T524-L528 PolarHBondContact O-N 3.03Å; T524-L528 VanDerWaalsContact O-N 3.12Å; Y526-L528 VanDerWaalsContact C-N 3.34Å; Y526-L528 PolarHBondContact O-N 2.96Å; L528-I530 HydrophobicContact CB-CD1 4.04Å; L528-I530 HydrophobicContact CB-CG1 4.02Å; L528-I530 HydrophobicContact CB-CG2 4.21Å; L528-I530 HydrophobicContact CD1-CD1 4.16Å; L528-I530 WeakPolarHBondContact O-CG2 3.33Å; L528-I530 PolarHBondContact O-N 3.03Å
529	C	96.9	Very high	96.1	Very high	22 Å²	22	22.4 Å²	22.4	15%	0.149	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	57	46.3	-177	-62.5	0	0	0	0	113.6	M525 Y526 Y533 C539	M525-C529 PolarHBondContact O-N 3.03Å; Y526-C529 PolarHBondContact O-N 3.47Å; C529-Y533 WeakPolarHBondContact CA-O 3.37Å; C529-C539 HydrophobicContact CB-CB 3.72Å; C529-C539 WeakPolarHBondContact CB-SG 3.07Å; C529-C539 WeakPolarHBondContact SG-CA 3.28Å; C529-C539 WeakPolarHBondContact SG-CB 3.42Å; C529-C539 CovalentContact SG-SG 2.03Å; C529-C539 PolarHBondContact SG-SG 3.27Å
530	I	98	Very high	95.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.159	C	C	.	.			trans	-123.3	165.3	-176.4	59.7	175.5	0	0	0	112	A203 A206 F208 M525 L528 Y533	A203-I530 HydrophobicContact CB-CD1 3.72Å; A206-I530 HydrophobicContact CB-CB 4.41Å; A206-I530 HydrophobicContact CB-CG2 3.59Å; F208-I530 HydrophobicContact CD2-CG2 3.98Å; F208-I530 HydrophobicContact CE2-CG2 3.58Å; F208-I530 HydrophobicContact CZ-CG2 4.36Å; M525-I530 HydrophobicContact CB-CG1 3.91Å; M525-I530 HydrophobicContact CG-CD1 4.15Å; M525-I530 HydrophobicContact CG-CG1 3.97Å; M525-I530 PolarHBondContact O-N 3.46Å; L528-I530 HydrophobicContact CB-CD1 4.04Å; L528-I530 HydrophobicContact CB-CG1 4.02Å; L528-I530 HydrophobicContact CB-CG2 4.21Å; L528-I530 HydrophobicContact CD1-CD1 4.16Å; L528-I530 WeakPolarHBondContact O-CG2 3.33Å; L528-I530 PolarHBondContact O-N 3.03Å; I530-Y533 PolarHBondContact O-N 3.11Å
531	G	97.1	Very high	93.7	Very high	24 Å²	24	36 Å²	36	25%	0.247	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	57.9	-125	176.2	0	0	0	0	0	112.1	Y533	G531-Y533 PolarHBondContact O-N 3.35Å
532	P	97	Very high	91.5	Very high	54 Å²	54	39.4 Å²	39.4	35%	0.351	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-73.2	-4.3	-179.5	30.1	-32.6	0	0	0	114.3	M525	M525-P532 HydrophobicContact CE-CG 4.38Å; M525-P532 HydrophobicContact SD-CG 4.39Å
533	Y	97.3	Very high	88.8	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-115.3	30.1	-174.5	-59.8	-71.4	0	0	0	113.5	D81 F84 H522 M525 Y526 C529 I530 G531 N535 Q536	D81-Y533 VanDerWaalsContact OD1-CE1 3.26Å; D81-Y533 WeakPolarHBondContact OD1-CE1 3.41Å; D81-Y533 PolarHBondContact OD1-OH 3Å; F84-Y533 AromaticContact CD2-CE1 3.86Å; F84-Y533 HydrophobicContact CD2-CE1 3.86Å; F84-Y533 HydrophobicContact CE2-CD1 4.4Å; F84-Y533 AromaticContact CE2-CE1 3.63Å; F84-Y533 HydrophobicContact CE2-CE1 3.63Å; F84-Y533 HydrophobicContact CE2-CE2 4.24Å; F84-Y533 AromaticContact CE2-CZ 3.56Å; H522-Y533 HydrophobicContact CB-CE2 4.05Å; H522-Y533 AromaticContact ND1-CE2 3.46Å; H522-Y533 WeakPolarHBondContact ND1-CE2 3.5Å; H522-Y533 AromaticContact ND1-CZ 3.58Å; H522-Y533 PolarHBondContact ND1-OH 3.15Å; M525-Y533 HydrophobicContact CB-CD2 3.72Å; M525-Y533 HydrophobicContact CB-CE2 4.33Å; Y526-Y533 AromaticContact CD2-CD1 3.95Å; Y526-Y533 HydrophobicContact CD2-CD1 3.95Å; Y526-Y533 HydrophobicContact CD2-CE1 4.48Å; Y526-Y533 HydrophobicContact CD2-CG 4.34Å; C529-Y533 WeakPolarHBondContact CA-O 3.37Å; I530-Y533 PolarHBondContact O-N 3.11Å; G531-Y533 PolarHBondContact O-N 3.35Å; Y533-N535 VanDerWaalsContact C-N 3.29Å; Y533-N535 PolarHBondContact O-N 3Å; Y533-Q536 HydrophobicContact CD1-CG 4.17Å; Y533-Q536 WeakPolarHBondContact O-CG 3.32Å
534	T	95.9	Very high	86.3	Confident	72 Å²	72	47.5 Å²	47.5	44%	0.442	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-24.3	178.4	55.4	0	0	0	0	113.8
535	N	92.8	Very high	83.4	Confident	140 Å²	140	50.2 Å²	50.2	75%	0.749	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	30.2	-170.6	-56.5	-7.6	0	0	0	112.5	Y533	Y533-N535 VanDerWaalsContact C-N 3.29Å; Y533-N535 PolarHBondContact O-N 3Å
536	Q	91.4	Very high	80.8	Confident	43 Å²	43	53 Å²	53	20%	0.201	33%	0.326	C	S	.	.			trans	-79.3	157.1	177.1	-52.5	-59.9	-67.2	0	0	110.9	Y526 Y533 H538 C539	Y526-Q536 HydrophobicContact CD2-CB 4.5Å; Y526-Q536 HydrophobicContact CD2-CG 3.73Å; Y526-Q536 HydrophobicContact CE2-CB 4.11Å; Y526-Q536 HydrophobicContact CE2-CG 3.75Å; Y533-Q536 HydrophobicContact CD1-CG 4.17Å; Y533-Q536 WeakPolarHBondContact O-CG 3.32Å; Q536-H538 VanDerWaalsContact C-N 3.27Å; Q536-H538 WeakPolarHBondContact CB-CE1 3.32Å; Q536-H538 PolarHBondContact O-N 3.23Å; Q536-C539 VanDerWaalsContact O-CB 3.26Å; Q536-C539 WeakPolarHBondContact O-CB 3.14Å; Q536-C539 PolarHBondContact O-N 2.95Å
537	S	87.7	Confident	78.3	Confident	52 Å²	52	59.2 Å²	59.2	36%	0.364	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-60.6	-33	-172.7	68	0	0	0	0	113.8	C539	S537-C539 VanDerWaalsContact C-N 3.33Å
538	H	89.3	Confident	75.9	Confident	21 Å²	21	63.7 Å²	63.7	10%	0.097	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-81.9	-6.4	177	64.6	-75.4	0	0	0	114.1	F507 Y526 Q536	F507-H538 AromaticContact CE2-CD2 3.64Å; F507-H538 AromaticContact CE2-NE2 3.71Å; F507-H538 HydrophobicContact CZ-CB 4.43Å; F507-H538 AromaticContact CZ-CD2 3.77Å; Y526-H538 AromaticContact CD1-CE1 3.78Å; Y526-H538 AromaticContact CD2-CE1 3.94Å; Y526-H538 AromaticContact CE1-CE1 3.31Å; Y526-H538 WeakPolarHBondContact CE1-CE1 3.34Å; Y526-H538 AromaticContact CE1-ND1 4Å; Y526-H538 AromaticContact CE1-NE2 3.84Å; Y526-H538 AromaticContact CE2-CE1 3.5Å; Y526-H538 VanDerWaalsContact CE2-CE1 3.5Å; Y526-H538 WeakPolarHBondContact CE2-CE1 3.1Å; Y526-H538 AromaticContact CZ-CE1 3.16Å; Y526-H538 AromaticContact CZ-ND1 3.62Å; Y526-H538 PolarHBondContact O-NE2 3.09Å; Y526-H538 PolarHBondContact OH-ND1 3.27Å; Q536-H538 VanDerWaalsContact C-N 3.27Å; Q536-H538 WeakPolarHBondContact CB-CE1 3.32Å; Q536-H538 PolarHBondContact O-N 3.23Å
539	C	90.9	Very high	73.4	Confident	19 Å²	19	72.9 Å²	72.9	13%	0.128	41%	0.407	C	S	.	.	G	3₁₀ helix	trans	-80.9	-21.6	179	-60.9	0	0	0	0	112.8	C529 Q536 S537 K541	C529-C539 HydrophobicContact CB-CB 3.72Å; C529-C539 WeakPolarHBondContact CB-SG 3.07Å; C529-C539 WeakPolarHBondContact SG-CA 3.28Å; C529-C539 WeakPolarHBondContact SG-CB 3.42Å; C529-C539 CovalentContact SG-SG 2.03Å; C529-C539 PolarHBondContact SG-SG 3.27Å; Q536-C539 VanDerWaalsContact O-CB 3.26Å; Q536-C539 WeakPolarHBondContact O-CB 3.14Å; Q536-C539 PolarHBondContact O-N 2.95Å; S537-C539 VanDerWaalsContact C-N 3.33Å; C539-K541 PolarHBondContact O-N 3.48Å; C539-K541 VanDerWaalsContact O-N 3.14Å
540	D	83.1	Confident	71	Confident	99 Å²	99	73.4 Å²	73.4	53%	0.529	42%	0.416	S	S	.	.			trans	-74	103.5	179.1	-71.2	-25.3	0	0	0	111	G542 N543	D540-G542 PolarHBondContact O-N 3.47Å; D540-N543 PolarHBondContact O-N 3.06Å
541	K	64.7	Low	68.8	Low	194 Å²	194	76.3 Å²	76.3	84%	0.843	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-18.6	176.8	-69.4	-171.4	175.9	-171.8	0	113.8	C539	C539-K541 PolarHBondContact O-N 3.48Å; C539-K541 VanDerWaalsContact O-N 3.14Å
542	G	51.4	Low	66.5	Low	72 Å²	72	83.4 Å²	83.4	74%	0.742	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-11.9	-173.7	0	0	0	0	0	116.8	D540	D540-G542 PolarHBondContact O-N 3.47Å
543	N	43	Very low	64.4	Low	91 Å²	91	85 Å²	85	49%	0.487	46%	0.458	S	S	.	.	S	Bend	trans	-115.8	-2.6	-167	-112.7	-11.2	0	0	0	117.1	D540 G545 S546 R547	D540-N543 PolarHBondContact O-N 3.06Å; N543-G545 PolarHBondContact O-N 3.43Å; N543-S546 PolarHBondContact O-N 2.53Å; N543-S546 PolarHBondContact O-OG 3.31Å; N543-S546 PolarHBondContact OD1-OG 3.18Å; N543-R547 PolarHBondContact O-N 3.39Å
544	N	45	Very low	62.4	Low	88 Å²	88	89.5 Å²	89.5	47%	0.471	48%	0.482	S	S	.	.	H	α-helix	trans	-68	-25.7	175	-80.1	-1.6	0	0	0	112.7	L548	N544-L548 PolarHBondContact O-N 3.34Å
545	G	39	Very low	60.8	Low	59 Å²	59	90.3 Å²	90.3	61%	0.608	48%	0.483	S	S	*	.	H	α-helix	trans	-70.3	-26.6	174.5	0	0	0	0	0	114.4	N543	N543-G545 PolarHBondContact O-N 3.43Å
546	S	43.7	Very low	59.7	Low	61 Å²	61	89.9 Å²	89.9	43%	0.427	48%	0.475	S	S	.	.	H	α-helix	trans	-86.6	-38.6	-178.4	64.5	0	0	0	0	112.3	N543 R549 G550	N543-S546 PolarHBondContact O-N 2.53Å; N543-S546 PolarHBondContact O-OG 3.31Å; N543-S546 PolarHBondContact OD1-OG 3.18Å; S546-R549 PolarHBondContact O-N 3.42Å; S546-G550 PolarHBondContact O-N 2.9Å
547	R	46.2	Very low	58.9	Low	131 Å²	131	94.4 Å²	94.4	49%	0.494	49%	0.491	S	S	.	.	H	α-helix	trans	-68.7	-41.9	177.3	-83	-172.9	173.5	-179	-0.1	113.4	N543 R549 G550 L551	N543-R547 PolarHBondContact O-N 3.39Å; R547-R549 VanDerWaalsContact C-N 3.31Å; R547-R549 PolarHBondContact O-N 3.09Å; R547-G550 PolarHBondContact O-N 2.87Å; R547-L551 PolarHBondContact O-N 3.18Å; R547-L551 VanDerWaalsContact O-N 3.15Å
548	L	46.6	Very low	58.3	Low	95 Å²	95	99.6 Å²	99.6	50%	0.497	50%	0.504	S	S	.	.	H	α-helix	trans	-62.3	-38.9	173.9	-87.6	155	0	0	0	111.4	N544 G550 L551 Y552	N544-L548 PolarHBondContact O-N 3.34Å; L548-G550 VanDerWaalsContact C-N 3.33Å; L548-G550 PolarHBondContact O-N 3.29Å; L548-L551 PolarHBondContact O-N 3.49Å; L548-Y552 HydrophobicContact CD2-CE2 3.94Å; L548-Y552 WeakPolarHBondContact O-CD2 3.42Å; L548-Y552 PolarHBondContact O-N 3.12Å
549	R	44.7	Very low	57.9	Low	193 Å²	193	104.3 Å²	104.3	73%	0.728	53%	0.529	S	S	*	.	H	α-helix	trans	-59.3	-41.4	174.1	-112.8	-178.7	174.6	-171.5	-1.3	112.5	S546 R547 L553	S546-R549 PolarHBondContact O-N 3.42Å; R547-R549 VanDerWaalsContact C-N 3.31Å; R547-R549 PolarHBondContact O-N 3.09Å; R549-L553 WeakPolarHBondContact O-CB 3.35Å; R549-L553 WeakPolarHBondContact O-CD1 3.23Å; R549-L553 PolarHBondContact O-N 3.06Å
550	G	47.1	Very low	57.4	Low	33 Å²	33	107.5 Å²	107.5	34%	0.34	54%	0.544	S	S	.	.	H	α-helix	trans	-64.2	-38.1	176.5	0	0	0	0	0	113.5	S546 R547 L548 N554	S546-G550 PolarHBondContact O-N 2.9Å; R547-G550 PolarHBondContact O-N 2.87Å; L548-G550 VanDerWaalsContact C-N 3.33Å; L548-G550 PolarHBondContact O-N 3.29Å; G550-N554 WeakPolarHBondContact O-CB 3.17Å; G550-N554 PolarHBondContact O-N 3.02Å
551	L	50.7	Low	57.4	Low	62 Å²	62	109.3 Å²	109.3	33%	0.325	55%	0.548	S	S	.	.	H	α-helix	trans	-72.4	-40.7	176.5	-93.5	148.6	0	0	0	113	R547 L548 L553 N554 N555	R547-L551 PolarHBondContact O-N 3.18Å; R547-L551 VanDerWaalsContact O-N 3.15Å; L548-L551 PolarHBondContact O-N 3.49Å; L551-L553 VanDerWaalsContact C-N 3.34Å; L551-N554 PolarHBondContact O-N 3.15Å; L551-N555 WeakPolarHBondContact O-CB 3.15Å; L551-N555 PolarHBondContact O-N 3.28Å
552	Y	49.1	Very low	58.3	Low	172 Å²	172	105 Å²	105	68%	0.675	53%	0.533	S	S	*	.	H	α-helix	trans	-64.3	-39.2	173.4	-80.7	-71.9	0	0	0	111.8	L548 F556	L548-Y552 HydrophobicContact CD2-CE2 3.94Å; L548-Y552 WeakPolarHBondContact O-CD2 3.42Å; L548-Y552 PolarHBondContact O-N 3.12Å; Y552-F556 WeakPolarHBondContact O-CB 3.41Å; Y552-F556 PolarHBondContact O-N 3.19Å
553	L	53.4	Low	59.9	Low	88 Å²	88	104.5 Å²	104.5	46%	0.461	52%	0.518	S	S	.	.	H	α-helix	trans	-63.5	-49.5	173.6	-85.6	154.1	0	0	0	111.2	R549 L551 F556 Y557	R549-L553 WeakPolarHBondContact O-CB 3.35Å; R549-L553 WeakPolarHBondContact O-CD1 3.23Å; R549-L553 PolarHBondContact O-N 3.06Å; L551-L553 VanDerWaalsContact C-N 3.34Å; L553-F556 PolarHBondContact O-N 2.7Å; L553-Y557 HydrophobicContact CB-CE2 4.31Å; L553-Y557 HydrophobicContact CD2-CE2 3.89Å; L553-Y557 WeakPolarHBondContact O-CD2 3.41Å; L553-Y557 PolarHBondContact O-N 2.95Å
554	N	55.4	Low	61.8	Low	95 Å²	95	103.9 Å²	103.9	51%	0.508	52%	0.518	S	S	.	.	H	α-helix	trans	-64.7	-43.5	179.9	-80.5	-10.9	0	0	0	112.7	G550 L551 F556 Y557 Y558	G550-N554 WeakPolarHBondContact O-CB 3.17Å; G550-N554 PolarHBondContact O-N 3.02Å; L551-N554 PolarHBondContact O-N 3.15Å; N554-F556 VanDerWaalsContact C-N 3.33Å; N554-F556 PolarHBondContact O-N 3.12Å; N554-Y557 PolarHBondContact O-N 2.74Å; N554-Y558 WeakPolarHBondContact O-CD2 3.43Å; N554-Y558 PolarHBondContact O-N 3.42Å
555	N	61.4	Low	63.8	Low	88 Å²	88	103 Å²	103	47%	0.471	51%	0.512	S	S	.	.	H	α-helix	trans	-67.3	-33.4	176.5	-79.2	-24.3	0	0	0	112.4	L551 Y558 L559	L551-N555 WeakPolarHBondContact O-CB 3.15Å; L551-N555 PolarHBondContact O-N 3.28Å; N555-Y558 PolarHBondContact O-N 3.06Å; N555-L559 WeakPolarHBondContact O-CB 3.44Å; N555-L559 WeakPolarHBondContact O-CG 3.31Å; N555-L559 PolarHBondContact O-N 2.89Å
556	F	70.7	Confident	66	Low	132 Å²	132	104.6 Å²	104.6	58%	0.579	51%	0.506	S	S	*	.	H	α-helix	trans	-63.7	-44	171.7	-173.6	-95.6	0	0	0	111.1	Y552 L553 N554 L559 L560	Y552-F556 WeakPolarHBondContact O-CB 3.41Å; Y552-F556 PolarHBondContact O-N 3.19Å; L553-F556 PolarHBondContact O-N 2.7Å; N554-F556 VanDerWaalsContact C-N 3.33Å; N554-F556 PolarHBondContact O-N 3.12Å; F556-L559 PolarHBondContact O-N 2.93Å; F556-L560 HydrophobicContact CE1-CD1 4.31Å; F556-L560 HydrophobicContact CZ-CD1 4.45Å; F556-L560 VanDerWaalsContact O-CB 3.23Å; F556-L560 WeakPolarHBondContact O-CB 3.19Å; F556-L560 PolarHBondContact O-N 3.19Å
557	Y	73.2	Confident	68	Low	137 Å²	137	108.8 Å²	108.8	54%	0.537	51%	0.514	S	S	.	.	H	α-helix	trans	-65.6	-38.2	174.3	-69.7	-63.1	0	0	0	112.7	L553 N554 L560 F561	L553-Y557 HydrophobicContact CB-CE2 4.31Å; L553-Y557 HydrophobicContact CD2-CE2 3.89Å; L553-Y557 WeakPolarHBondContact O-CD2 3.41Å; L553-Y557 PolarHBondContact O-N 2.95Å; N554-Y557 PolarHBondContact O-N 2.74Å; Y557-L560 PolarHBondContact O-N 2.9Å; Y557-F561 WeakPolarHBondContact O-CB 3.5Å; Y557-F561 PolarHBondContact O-N 3.07Å
558	Y	76.1	Confident	69.8	Low	162 Å²	162	106.7 Å²	106.7	64%	0.635	52%	0.516	S	S	*	.	H	α-helix	trans	-66.1	-43.4	174.7	-84.7	-70.8	0	0	0	112.1	N554 N555 F561 L562	N554-Y558 WeakPolarHBondContact O-CD2 3.43Å; N554-Y558 PolarHBondContact O-N 3.42Å; N555-Y558 PolarHBondContact O-N 3.06Å; Y558-F561 PolarHBondContact O-N 2.69Å; Y558-L562 VanDerWaalsContact O-CB 3.32Å; Y558-L562 WeakPolarHBondContact O-CB 3.25Å; Y558-L562 PolarHBondContact O-N 3.45Å
559	L	80	Confident	71.5	Confident	119 Å²	119	110.7 Å²	110.7	62%	0.623	53%	0.53	S	S	*	.	H	α-helix	trans	-65.1	-39.6	174.4	-79.4	163.3	0	0	0	111.5	N555 F556 L562 S563	N555-L559 WeakPolarHBondContact O-CB 3.44Å; N555-L559 WeakPolarHBondContact O-CG 3.31Å; N555-L559 PolarHBondContact O-N 2.89Å; F556-L559 PolarHBondContact O-N 2.93Å; L559-L562 PolarHBondContact O-N 3.41Å; L559-S563 VanDerWaalsContact O-CB 3.29Å; L559-S563 WeakPolarHBondContact O-CB 3.41Å; L559-S563 PolarHBondContact O-N 2.8Å; L559-S563 PolarHBondContact O-OG 3.4Å
560	L	81.5	Confident	73.4	Confident	86 Å²	86	107.3 Å²	107.3	45%	0.45	53%	0.525	S	S	.	.	H	α-helix	trans	-63.5	-44.3	174.2	-160.8	91.5	0	0	0	110.5	F556 Y557 S563 V564	F556-L560 HydrophobicContact CE1-CD1 4.31Å; F556-L560 HydrophobicContact CZ-CD1 4.45Å; F556-L560 VanDerWaalsContact O-CB 3.23Å; F556-L560 WeakPolarHBondContact O-CB 3.19Å; F556-L560 PolarHBondContact O-N 3.19Å; Y557-L560 PolarHBondContact O-N 2.9Å; L560-S563 VanDerWaalsContact CA-OG 3.27Å; L560-S563 WeakPolarHBondContact CA-OG 3.4Å; L560-S563 PolarHBondContact O-N 2.85Å; L560-S563 PolarHBondContact O-OG 3.1Å; L560-V564 WeakPolarHBondContact O-CB 3.3Å; L560-V564 WeakPolarHBondContact O-CG2 3.36Å; L560-V564 PolarHBondContact O-N 2.84Å
561	F	81.8	Confident	74.6	Confident	137 Å²	137	113.9 Å²	113.9	60%	0.601	55%	0.546	S	S	*	.	H	α-helix	trans	-66.9	-41.5	177.8	-162.4	-104.4	0	0	0	111.8	Y557 Y558 V564 I565	Y557-F561 WeakPolarHBondContact O-CB 3.5Å; Y557-F561 PolarHBondContact O-N 3.07Å; Y558-F561 PolarHBondContact O-N 2.69Å; F561-V564 PolarHBondContact O-N 2.94Å; F561-I565 HydrophobicContact CD1-CD1 3.53Å; F561-I565 HydrophobicContact CD1-CG1 4.32Å; F561-I565 HydrophobicContact CE1-CD1 3.44Å; F561-I565 VanDerWaalsContact CE1-CD1 3.44Å; F561-I565 HydrophobicContact CE1-CG1 4.26Å; F561-I565 HydrophobicContact CG-CD1 4.49Å; F561-I565 HydrophobicContact CZ-CD1 4.32Å; F561-I565 VanDerWaalsContact O-CG1 3.31Å; F561-I565 WeakPolarHBondContact O-CG1 3.05Å; F561-I565 PolarHBondContact O-N 3.2Å
562	L	84.8	Confident	75.8	Confident	104 Å²	104	116.5 Å²	116.5	55%	0.545	56%	0.557	S	S	.	*	H	α-helix	trans	-64.6	-41.5	176.2	-142.8	99.6	0	0	0	111.3	Y558 L559 I565 L566	Y558-L562 VanDerWaalsContact O-CB 3.32Å; Y558-L562 WeakPolarHBondContact O-CB 3.25Å; Y558-L562 PolarHBondContact O-N 3.45Å; L559-L562 PolarHBondContact O-N 3.41Å; L562-I565 PolarHBondContact O-N 3.25Å; L562-L566 HydrophobicContact CD2-CD1 4.09Å; L562-L566 WeakPolarHBondContact O-CB 3.16Å; L562-L566 PolarHBondContact O-N 2.7Å
563	S	83.6	Confident	77.2	Confident	61 Å²	61	113.6 Å²	113.6	43%	0.427	55%	0.551	S	S	.	*	H	α-helix	trans	-69	-35.2	176.6	52.2	0	0	0	0	112.5	L559 L560 Y567	L559-S563 VanDerWaalsContact O-CB 3.29Å; L559-S563 WeakPolarHBondContact O-CB 3.41Å; L559-S563 PolarHBondContact O-N 2.8Å; L559-S563 PolarHBondContact O-OG 3.4Å; L560-S563 VanDerWaalsContact CA-OG 3.27Å; L560-S563 WeakPolarHBondContact CA-OG 3.4Å; L560-S563 PolarHBondContact O-N 2.85Å; L560-S563 PolarHBondContact O-OG 3.1Å; S563-Y567 VanDerWaalsContact O-CB 3.22Å; S563-Y567 WeakPolarHBondContact O-CB 3.16Å; S563-Y567 PolarHBondContact O-N 2.91Å
564	V	84.7	Confident	78.5	Confident	79 Å²	79	115 Å²	115	48%	0.479	56%	0.556	S	S	.	*	H	α-helix	trans	-64.9	-45.9	170.4	169.9	0	0	0	0	110.8	L560 F561 Y567 T568	L560-V564 WeakPolarHBondContact O-CB 3.3Å; L560-V564 WeakPolarHBondContact O-CG2 3.36Å; L560-V564 PolarHBondContact O-N 2.84Å; F561-V564 PolarHBondContact O-N 2.94Å; V564-Y567 PolarHBondContact O-N 3.4Å; V564-T568 PolarHBondContact O-N 3.47Å; V564-T568 PolarHBondContact O-OG1 3.32Å
565	I	84.9	Confident	79.9	Confident	68 Å²	68	116.2 Å²	116.2	35%	0.349	56%	0.559	S	S	.	*	H	α-helix	trans	-59.5	-48.4	175.6	-71.4	168.9	0	0	0	110.7	F561 L562 Y567 T568 F569	F561-I565 HydrophobicContact CD1-CD1 3.53Å; F561-I565 HydrophobicContact CD1-CG1 4.32Å; F561-I565 HydrophobicContact CE1-CD1 3.44Å; F561-I565 VanDerWaalsContact CE1-CD1 3.44Å; F561-I565 HydrophobicContact CE1-CG1 4.26Å; F561-I565 HydrophobicContact CG-CD1 4.49Å; F561-I565 HydrophobicContact CZ-CD1 4.32Å; F561-I565 VanDerWaalsContact O-CG1 3.31Å; F561-I565 WeakPolarHBondContact O-CG1 3.05Å; F561-I565 PolarHBondContact O-N 3.2Å; L562-I565 PolarHBondContact O-N 3.25Å; I565-Y567 VanDerWaalsContact C-N 3.33Å; I565-Y567 PolarHBondContact O-N 3.05Å; I565-T568 WeakPolarHBondContact CA-OG1 3.47Å; I565-T568 PolarHBondContact O-N 3.45Å; I565-T568 PolarHBondContact O-OG1 2.94Å; I565-F569 HydrophobicContact CG2-CD2 4.02Å; I565-F569 HydrophobicContact CG2-CE2 4.38Å; I565-F569 PolarHBondContact O-N 3.29Å
566	L	86.3	Confident	81.1	Confident	93 Å²	93	117.9 Å²	117.9	49%	0.487	57%	0.565	S	S	.	*	H	α-helix	trans	-59.8	-42.9	176.8	-97.5	143.7	0	0	0	111.5	L562 F569 I570	L562-L566 HydrophobicContact CD2-CD1 4.09Å; L562-L566 WeakPolarHBondContact O-CB 3.16Å; L562-L566 PolarHBondContact O-N 2.7Å; L566-F569 PolarHBondContact O-N 2.69Å; L566-I570 HydrophobicContact CD2-CD1 4.17Å; L566-I570 WeakPolarHBondContact O-CB 3.46Å; L566-I570 WeakPolarHBondContact O-CD1 3.44Å; L566-I570 VanDerWaalsContact O-CG1 3.23Å; L566-I570 WeakPolarHBondContact O-CG1 3.49Å; L566-I570 PolarHBondContact O-N 2.94Å
567	Y	85.7	Confident	81.8	Confident	150 Å²	150	117 Å²	117	59%	0.588	56%	0.564	S	S	*	*	H	α-helix	trans	-61.7	-45.4	176.8	-176.3	-90.8	0	0	0	111.8	S563 V564 I565 F569 I570 H571	S563-Y567 VanDerWaalsContact O-CB 3.22Å; S563-Y567 WeakPolarHBondContact O-CB 3.16Å; S563-Y567 PolarHBondContact O-N 2.91Å; V564-Y567 PolarHBondContact O-N 3.4Å; I565-Y567 VanDerWaalsContact C-N 3.33Å; I565-Y567 PolarHBondContact O-N 3.05Å; Y567-F569 VanDerWaalsContact C-N 3.26Å; Y567-F569 PolarHBondContact O-N 2.53Å; Y567-I570 PolarHBondContact O-N 3.35Å; Y567-H571 AromaticContact CD2-CD2 3.7Å; Y567-H571 AromaticContact CE2-CD2 3.35Å; Y567-H571 WeakPolarHBondContact CE2-CD2 3.1Å; Y567-H571 AromaticContact CE2-NE2 3.76Å; Y567-H571 AromaticContact CZ-CD2 3.58Å; Y567-H571 PolarHBondContact O-N 3.26Å
568	T	84.2	Confident	82.4	Confident	86 Å²	86	115.6 Å²	115.6	53%	0.528	57%	0.566	S	S	.	*	H	α-helix	trans	-70.4	-15.5	175.7	46.4	0	0	0	0	114.9	V564 I565 H571	V564-T568 PolarHBondContact O-N 3.47Å; V564-T568 PolarHBondContact O-OG1 3.32Å; I565-T568 WeakPolarHBondContact CA-OG1 3.47Å; I565-T568 PolarHBondContact O-N 3.45Å; I565-T568 PolarHBondContact O-OG1 2.94Å; T568-H571 VanDerWaalsContact O-OXT 3.04Å
569	F	82.4	Confident	82.8	Confident	180 Å²	180	112 Å²	112	79%	0.789	56%	0.56	S	S	*	*	H	α-helix	trans	-90.1	-26.5	173.4	-104.3	-84.9	0	0	0	112.2	I565 L566 Y567	I565-F569 HydrophobicContact CG2-CD2 4.02Å; I565-F569 HydrophobicContact CG2-CE2 4.38Å; I565-F569 PolarHBondContact O-N 3.29Å; L566-F569 PolarHBondContact O-N 2.69Å; Y567-F569 VanDerWaalsContact C-N 3.26Å; Y567-F569 PolarHBondContact O-N 2.53Å
570	I	83.6	Confident	83.1	Confident	121 Å²	121	111.4 Å²	111.4	62%	0.621	56%	0.555	S	S	*	*	H	α-helix	trans	-86.7	-31.7	179.8	-68.5	167.3	0	0	0	111.5	L566 Y567	L566-I570 HydrophobicContact CD2-CD1 4.17Å; L566-I570 WeakPolarHBondContact O-CB 3.46Å; L566-I570 WeakPolarHBondContact O-CD1 3.44Å; L566-I570 VanDerWaalsContact O-CG1 3.23Å; L566-I570 WeakPolarHBondContact O-CG1 3.49Å; L566-I570 PolarHBondContact O-N 2.94Å; Y567-I570 PolarHBondContact O-N 3.35Å
571	H	73.5	Confident	83.2	Confident	172 Å²	172	113.7 Å²	113.7	80%	0.796	56%	0.564	S	S	*	*			trans	-115.4	0	177.7	-68.7	-65.3	0	0	0	111	Y567 T568	Y567-H571 AromaticContact CD2-CD2 3.7Å; Y567-H571 AromaticContact CE2-CD2 3.35Å; Y567-H571 WeakPolarHBondContact CE2-CD2 3.1Å; Y567-H571 AromaticContact CE2-NE2 3.76Å; Y567-H571 AromaticContact CZ-CD2 3.58Å; Y567-H571 PolarHBondContact O-N 3.26Å; T568-H571 VanDerWaalsContact O-OXT 3.04Å

Retrieved 571 of 571 residues in 406.1 ms (Link to these results)

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