A0A3Q0KQY3_SCHMA Loading...

Protein Wnt AlphaSync

Ligand for members of the frizzled family of seven transmembrane receptors.

AlphaFold DB , UniProt , Accession A0A3Q0KQY3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 603 aa.

Structure Viewer

Loading PAE data...

(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	49.9	Very low	60.6	Low	215 Å²	215	131.8 Å²	131.8	100%	1.059	63%	0.633	S	S	*	*				0	-36.4	0	-77.2	-174.8	168.3	0	0	114.5	F3 V4 T5	M1-F3 VanDerWaalsContact C-N 3.29Å; M1-F3 PolarHBondContact O-N 3.39Å; M1-V4 PolarHBondContact O-N 2.86Å; M1-T5 PolarHBondContact O-OG1 3.26Å
2	H	46.8	Very low	61.9	Low	160 Å²	160	128.2 Å²	128.2	74%	0.741	62%	0.618	S	S	*	*	H	α-helix	trans	-65.5	-18.5	177.6	-97.4	-72.5	0	0	0	116.9	T5	H2-T5 PolarHBondContact O-OG1 3.33Å
3	F	44.1	Very low	63.1	Low	178 Å²	178	125.2 Å²	125.2	78%	0.781	61%	0.606	S	S	*	*	H	α-helix	trans	-80.5	-32.7	178.3	-124.6	-93.3	0	0	0	112.6	M1 F7	M1-F3 VanDerWaalsContact C-N 3.29Å; M1-F3 PolarHBondContact O-N 3.39Å; F3-F7 PolarHBondContact O-N 3.4Å
4	V	57.3	Low	64	Low	96 Å²	96	122.7 Å²	122.7	58%	0.582	60%	0.596	S	S	*	*	H	α-helix	trans	-72.8	-37	-179	-177.5	0	0	0	0	110.7	M1 F7 N8	M1-V4 PolarHBondContact O-N 2.86Å; V4-F7 PolarHBondContact O-N 3.39Å; V4-N8 PolarHBondContact O-N 3.28Å
5	T	58.3	Low	64.7	Low	77 Å²	77	121.5 Å²	121.5	47%	0.472	59%	0.593	S	S	.	*	H	α-helix	trans	-69.1	-35.7	175.9	38.9	0	0	0	0	113.2	M1 H2 Y9	M1-T5 PolarHBondContact O-OG1 3.26Å; H2-T5 PolarHBondContact O-OG1 3.33Å; T5-Y9 PolarHBondContact O-N 3.22Å; T5-Y9 VanDerWaalsContact O-N 3.08Å
6	K	55.7	Low	65.1	Low	163 Å²	163	121.9 Å²	121.9	71%	0.709	59%	0.593	S	S	*	*	H	α-helix	trans	-69.7	-32.9	173.6	-79.8	-173.2	175.3	-177.1	0	112.9	L10	K6-L10 PolarHBondContact O-N 3.26Å; K6-L10 VanDerWaalsContact O-N 3.11Å
7	F	66.1	Low	65.3	Low	129 Å²	129	119.9 Å²	119.9	57%	0.566	59%	0.586	S	S	*	*	H	α-helix	trans	-71.1	-40.9	176.6	-141	-90.3	0	0	0	111.8	F3 V4 L10 L11	F3-F7 PolarHBondContact O-N 3.4Å; V4-F7 PolarHBondContact O-N 3.39Å; F7-L10 PolarHBondContact O-N 2.84Å; F7-L11 HydrophobicContact CD1-CD1 4Å; F7-L11 HydrophobicContact CD1-CG 4.39Å; F7-L11 HydrophobicContact CE1-CD1 4.42Å; F7-L11 PolarHBondContact O-N 3.41Å
8	N	69.2	Low	65.3	Low	88 Å²	88	120.8 Å²	120.8	47%	0.471	59%	0.586	S	S	.	*	H	α-helix	trans	-65	-38.6	173.8	-81.4	-22	0	0	0	112.6	V4 L10 L11 I12	V4-N8 PolarHBondContact O-N 3.28Å; N8-L10 VanDerWaalsContact C-N 3.33Å; N8-L10 PolarHBondContact O-N 3.49Å; N8-L11 PolarHBondContact O-N 2.86Å; N8-I12 WeakPolarHBondContact O-CD1 3.49Å; N8-I12 VanDerWaalsContact O-CG1 3.24Å; N8-I12 WeakPolarHBondContact O-CG1 3.31Å; N8-I12 PolarHBondContact O-N 2.97Å
9	Y	70.3	Confident	65.3	Low	166 Å²	166	120.5 Å²	120.5	65%	0.651	59%	0.586	S	S	*	*	H	α-helix	trans	-64.2	-37.5	173.4	-102.9	-85.8	0	0	0	112.6	T5 I12 I13	T5-Y9 PolarHBondContact O-N 3.22Å; T5-Y9 VanDerWaalsContact O-N 3.08Å; Y9-I12 PolarHBondContact O-N 3.06Å; Y9-I13 VanDerWaalsContact O-CG1 3.24Å; Y9-I13 WeakPolarHBondContact O-CG1 3.28Å; Y9-I13 PolarHBondContact O-N 3.47Å
10	L	73.2	Confident	65	Low	97 Å²	97	120.4 Å²	120.4	51%	0.508	59%	0.588	S	S	.	*	H	α-helix	trans	-67.2	-41.4	176.6	-159	81.3	0	0	0	111.3	K6 F7 N8 I13 I14	K6-L10 PolarHBondContact O-N 3.26Å; K6-L10 VanDerWaalsContact O-N 3.11Å; F7-L10 PolarHBondContact O-N 2.84Å; N8-L10 VanDerWaalsContact C-N 3.33Å; N8-L10 PolarHBondContact O-N 3.49Å; L10-I13 PolarHBondContact O-N 3.41Å; L10-I14 HydrophobicContact CD2-CD1 4.39Å; L10-I14 HydrophobicContact CG-CD1 4.22Å; L10-I14 VanDerWaalsContact O-CG1 3.24Å; L10-I14 WeakPolarHBondContact O-CG1 3.34Å; L10-I14 PolarHBondContact O-N 3.32Å
11	L	75.2	Confident	64.6	Low	81 Å²	81	121.4 Å²	121.4	42%	0.424	59%	0.586	S	S	.	*	H	α-helix	trans	-63.3	-42.3	175.4	-75.7	166.9	0	0	0	112	F7 N8 I13 I14 D15	F7-L11 HydrophobicContact CD1-CD1 4Å; F7-L11 HydrophobicContact CD1-CG 4.39Å; F7-L11 HydrophobicContact CE1-CD1 4.42Å; F7-L11 PolarHBondContact O-N 3.41Å; N8-L11 PolarHBondContact O-N 2.86Å; L11-I13 VanDerWaalsContact C-N 3.34Å; L11-I13 PolarHBondContact O-N 3.5Å; L11-I14 PolarHBondContact O-N 2.87Å; L11-D15 PolarHBondContact O-N 3.46Å
12	I	76.5	Confident	65.1	Low	88 Å²	88	120 Å²	120	45%	0.451	58%	0.575	S	S	.	*	H	α-helix	trans	-63.8	-39	175.6	-65.9	163.5	0	0	0	111.3	N8 Y9 D15 Q16	N8-I12 WeakPolarHBondContact O-CD1 3.49Å; N8-I12 VanDerWaalsContact O-CG1 3.24Å; N8-I12 WeakPolarHBondContact O-CG1 3.31Å; N8-I12 PolarHBondContact O-N 2.97Å; Y9-I12 PolarHBondContact O-N 3.06Å; I12-D15 PolarHBondContact O-N 3.19Å; I12-Q16 HydrophobicContact CG2-CG 4.46Å; I12-Q16 WeakPolarHBondContact O-CB 3.38Å; I12-Q16 WeakPolarHBondContact O-CG 3.41Å; I12-Q16 PolarHBondContact O-N 2.84Å
13	I	77.4	Confident	65.6	Low	90 Å²	90	120 Å²	120	46%	0.462	58%	0.575	S	S	.	*	H	α-helix	trans	-67.5	-40.1	176	-68.4	167.9	0	0	0	110.6	Y9 L10 L11 Q16 L17	Y9-I13 VanDerWaalsContact O-CG1 3.24Å; Y9-I13 WeakPolarHBondContact O-CG1 3.28Å; Y9-I13 PolarHBondContact O-N 3.47Å; L10-I13 PolarHBondContact O-N 3.41Å; L11-I13 VanDerWaalsContact C-N 3.34Å; L11-I13 PolarHBondContact O-N 3.5Å; I13-Q16 PolarHBondContact O-N 2.83Å; I13-L17 HydrophobicContact CG2-CD1 3.77Å; I13-L17 HydrophobicContact CG2-CG 4.29Å; I13-L17 VanDerWaalsContact O-CB 3.28Å; I13-L17 WeakPolarHBondContact O-CB 3.33Å; I13-L17 WeakPolarHBondContact O-CG 3.35Å; I13-L17 PolarHBondContact O-N 2.88Å
14	I	75.9	Confident	66.2	Low	90 Å²	90	120 Å²	120	46%	0.462	58%	0.575	S	S	.	*	H	α-helix	trans	-64.1	-44.6	175.9	-68.3	165.2	0	0	0	110.3	L10 L11 L17 F18	L10-I14 HydrophobicContact CD2-CD1 4.39Å; L10-I14 HydrophobicContact CG-CD1 4.22Å; L10-I14 VanDerWaalsContact O-CG1 3.24Å; L10-I14 WeakPolarHBondContact O-CG1 3.34Å; L10-I14 PolarHBondContact O-N 3.32Å; L11-I14 PolarHBondContact O-N 2.87Å; I14-L17 PolarHBondContact O-N 3.41Å; I14-F18 WeakPolarHBondContact O-CB 3.37Å; I14-F18 PolarHBondContact O-N 2.87Å
15	D	74.2	Confident	66.4	Low	105 Å²	105	119.8 Å²	119.8	56%	0.561	58%	0.577	S	S	*	*	H	α-helix	trans	-64.6	-42.3	176.6	-83.7	-20.3	0	0	0	112	L11 I12 L17 F18 I19	L11-D15 PolarHBondContact O-N 3.46Å; I12-D15 PolarHBondContact O-N 3.19Å; D15-L17 PolarHBondContact O-N 2.8Å; D15-F18 PolarHBondContact O-N 3.47Å; D15-I19 VanDerWaalsContact O-CG1 3.28Å; D15-I19 WeakPolarHBondContact O-CG1 3.43Å; D15-I19 PolarHBondContact O-N 3.22Å
16	Q	71.3	Confident	66.6	Low	127 Å²	127	125.3 Å²	125.3	59%	0.593	59%	0.594	S	S	*	*	H	α-helix	trans	-67.1	-36.2	175.6	-73.9	-154.5	-5.7	0	0	112.6	I12 I13 F18 I19 L20	I12-Q16 HydrophobicContact CG2-CG 4.46Å; I12-Q16 WeakPolarHBondContact O-CB 3.38Å; I12-Q16 WeakPolarHBondContact O-CG 3.41Å; I12-Q16 PolarHBondContact O-N 2.84Å; I13-Q16 PolarHBondContact O-N 2.83Å; Q16-F18 VanDerWaalsContact C-N 3.32Å; Q16-I19 PolarHBondContact O-N 3.43Å; Q16-L20 WeakPolarHBondContact O-CG 3.37Å; Q16-L20 PolarHBondContact O-N 2.99Å
17	L	68	Low	67.2	Low	89 Å²	89	124.8 Å²	124.8	47%	0.466	59%	0.592	S	S	.	*	H	α-helix	trans	-67	-34.6	172	-73.4	169.6	0	0	0	111.5	I13 I14 D15 L20 Y21	I13-L17 HydrophobicContact CG2-CD1 3.77Å; I13-L17 HydrophobicContact CG2-CG 4.29Å; I13-L17 VanDerWaalsContact O-CB 3.28Å; I13-L17 WeakPolarHBondContact O-CB 3.33Å; I13-L17 WeakPolarHBondContact O-CG 3.35Å; I13-L17 PolarHBondContact O-N 2.88Å; I14-L17 PolarHBondContact O-N 3.41Å; D15-L17 PolarHBondContact O-N 2.8Å; L17-L20 PolarHBondContact O-N 2.87Å; L17-Y21 VanDerWaalsContact O-CB 3.31Å; L17-Y21 WeakPolarHBondContact O-CB 3.28Å; L17-Y21 PolarHBondContact O-N 3.47Å
18	F	66.6	Low	67.3	Low	135 Å²	135	126 Å²	126	59%	0.592	60%	0.598	S	S	*	*	H	α-helix	trans	-71.2	-33	175.3	-155.4	-94	0	0	0	112.3	I14 D15 Q16 Y21 K22	I14-F18 WeakPolarHBondContact O-CB 3.37Å; I14-F18 PolarHBondContact O-N 2.87Å; D15-F18 PolarHBondContact O-N 3.47Å; Q16-F18 VanDerWaalsContact C-N 3.32Å; F18-Y21 WeakPolarHBondContact O-CB 3.39Å; F18-Y21 PolarHBondContact O-N 2.92Å; F18-K22 PolarHBondContact O-N 2.96Å
19	I	65	Low	67.5	Low	115 Å²	115	122.2 Å²	122.2	59%	0.59	58%	0.58	S	S	*	*	H	α-helix	trans	-69.2	-40.7	172.3	-67.1	166.2	0	0	0	110.4	D15 Q16 Y21 K22	D15-I19 VanDerWaalsContact O-CG1 3.28Å; D15-I19 WeakPolarHBondContact O-CG1 3.43Å; D15-I19 PolarHBondContact O-N 3.22Å; Q16-I19 PolarHBondContact O-N 3.43Å; I19-Y21 VanDerWaalsContact C-N 3.33Å; I19-K22 PolarHBondContact O-N 3.49Å
20	L	59.5	Low	67.9	Low	119 Å²	119	118.7 Å²	118.7	62%	0.623	57%	0.572	S	S	*	*	H	α-helix	trans	-66.9	-34	173.1	-70.7	171.7	0	0	0	112.4	Q16 L17 K22 Q23	Q16-L20 WeakPolarHBondContact O-CG 3.37Å; Q16-L20 PolarHBondContact O-N 2.99Å; L17-L20 PolarHBondContact O-N 2.87Å; L20-K22 PolarHBondContact O-N 3.02Å; L20-Q23 PolarHBondContact O-N 3.23Å
21	Y	55.7	Low	68.2	Low	141 Å²	141	117.7 Å²	117.7	55%	0.553	57%	0.566	S	S	*	*	H	α-helix	trans	-58.5	-30.8	174.6	-176.7	-88.8	0	0	0	112.3	L17 F18 I19 Q23	L17-Y21 VanDerWaalsContact O-CB 3.31Å; L17-Y21 WeakPolarHBondContact O-CB 3.28Å; L17-Y21 PolarHBondContact O-N 3.47Å; F18-Y21 WeakPolarHBondContact O-CB 3.39Å; F18-Y21 PolarHBondContact O-N 2.92Å; I19-Y21 VanDerWaalsContact C-N 3.33Å; Y21-Q23 VanDerWaalsContact C-N 3.31Å; Y21-Q23 PolarHBondContact O-N 2.9Å
22	K	59.8	Low	68.4	Low	187 Å²	187	117.2 Å²	117.2	81%	0.813	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	-13.5	-177.1	-136	-178.7	-176.2	-178.5	0	114.2	F18 I19 L20	F18-K22 PolarHBondContact O-N 2.96Å; I19-K22 PolarHBondContact O-N 3.49Å; L20-K22 PolarHBondContact O-N 3.02Å
23	Q	59.2	Low	68.6	Low	160 Å²	160	116.2 Å²	116.2	75%	0.748	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.8	-17	-164	-146.2	167.6	4.2	0	0	116.7	L20 Y21	L20-Q23 PolarHBondContact O-N 3.23Å; Y21-Q23 VanDerWaalsContact C-N 3.31Å; Y21-Q23 PolarHBondContact O-N 2.9Å
24	K	54.9	Low	68.9	Low	178 Å²	178	116.5 Å²	116.5	77%	0.774	57%	0.566	S	S	*	*	S	Bend	trans	-149.2	115.9	175.2	-77.9	-171.6	176.3	171.9	0	113.8
25	S	62.4	Low	69.3	Low	90 Å²	90	117.5 Å²	117.5	63%	0.629	57%	0.572	S	S	*	*			trans	63.7	116.5	158.3	-161.2	0	0	0	0	117.5	F27 F28	S25-F27 PolarHBondContact O-N 2.82Å; S25-F28 PolarHBondContact O-N 3.44Å
26	K	62.9	Low	69.6	Low	193 Å²	193	116.8 Å²	116.8	84%	0.839	57%	0.567	S	S	*	*	H	α-helix	trans	-43.3	-27.5	168.8	-67	-178.8	176.2	-177.8	0	113.2	F28 G29 I30	K26-F28 PolarHBondContact O-N 3.31Å; K26-G29 PolarHBondContact O-N 3.33Å; K26-I30 WeakPolarHBondContact O-CD1 3.47Å; K26-I30 WeakPolarHBondContact O-CG1 3.35Å; K26-I30 PolarHBondContact O-N 3.39Å
27	F	67.6	Low	69.9	Low	152 Å²	152	116.7 Å²	116.7	67%	0.667	57%	0.565	S	S	*	*	H	α-helix	trans	-59.7	-40.3	177	-119	-92.4	0	0	0	114.3	S25 I30 I31	S25-F27 PolarHBondContact O-N 2.82Å; F27-I30 PolarHBondContact O-N 3.4Å; F27-I31 HydrophobicContact CD1-CD1 4.24Å; F27-I31 WeakPolarHBondContact O-CG1 3.24Å; F27-I31 PolarHBondContact O-N 2.81Å
28	F	67.7	Low	70	Confident	154 Å²	154	117.3 Å²	117.3	68%	0.675	57%	0.566	S	S	*	*	H	α-helix	trans	-73.5	-35	-176	-142.5	-89.9	0	0	0	111.6	S25 K26 I31 L32	S25-F28 PolarHBondContact O-N 3.44Å; K26-F28 PolarHBondContact O-N 3.31Å; F28-I31 PolarHBondContact O-N 2.98Å; F28-L32 WeakPolarHBondContact O-CB 3.28Å; F28-L32 PolarHBondContact O-N 3.25Å
29	G	73.4	Confident	70.2	Confident	10 Å²	10	115.8 Å²	115.8	10%	0.103	56%	0.563	C	S	.	*	H	α-helix	trans	-64.1	-40.6	173.2	0	0	0	0	0	112.8	K26 L32 S33	K26-G29 PolarHBondContact O-N 3.33Å; G29-L32 PolarHBondContact O-N 2.73Å; G29-S33 WeakPolarHBondContact O-CB 3.24Å; G29-S33 PolarHBondContact O-N 2.75Å
30	I	78.8	Confident	70.2	Confident	92 Å²	92	114.3 Å²	114.3	47%	0.472	56%	0.556	S	S	.	*	H	α-helix	trans	-63.7	-48	174.9	-64.9	163.4	0	0	0	110.1	K26 F27 L32 S33 L34	K26-I30 WeakPolarHBondContact O-CD1 3.47Å; K26-I30 WeakPolarHBondContact O-CG1 3.35Å; K26-I30 PolarHBondContact O-N 3.39Å; F27-I30 PolarHBondContact O-N 3.4Å; I30-L32 PolarHBondContact O-N 3.08Å; I30-S33 PolarHBondContact O-N 3.37Å; I30-S33 PolarHBondContact O-OG 3.26Å; I30-L34 HydrophobicContact CG2-CD1 3.79Å; I30-L34 HydrophobicContact CG2-CG 4.19Å; I30-L34 WeakPolarHBondContact O-CB 3.24Å; I30-L34 VanDerWaalsContact O-CG 3.28Å; I30-L34 WeakPolarHBondContact O-CG 3.17Å; I30-L34 PolarHBondContact O-N 3.47Å
31	I	80.2	Confident	70.3	Confident	76 Å²	76	111 Å²	111	39%	0.39	54%	0.538	S	S	.	.	H	α-helix	trans	-61.1	-43.9	178.5	-65.9	167.2	0	0	0	111.2	F27 F28 L34 L35	F27-I31 HydrophobicContact CD1-CD1 4.24Å; F27-I31 WeakPolarHBondContact O-CG1 3.24Å; F27-I31 PolarHBondContact O-N 2.81Å; F28-I31 PolarHBondContact O-N 2.98Å; I31-L34 PolarHBondContact O-N 2.77Å; I31-L35 HydrophobicContact CG2-CD1 3.94Å; I31-L35 HydrophobicContact CG2-CG 4.28Å; I31-L35 WeakPolarHBondContact O-CB 3.26Å; I31-L35 VanDerWaalsContact O-CG 3.26Å; I31-L35 WeakPolarHBondContact O-CG 3.36Å; I31-L35 PolarHBondContact O-N 2.76Å
32	L	80.3	Confident	70.1	Confident	71 Å²	71	107.1 Å²	107.1	37%	0.372	53%	0.532	S	S	.	.	H	α-helix	trans	-65.6	-39.9	177.2	-172.8	66.4	0	0	0	111.7	F28 G29 I30 L35 L36	F28-L32 WeakPolarHBondContact O-CB 3.28Å; F28-L32 PolarHBondContact O-N 3.25Å; G29-L32 PolarHBondContact O-N 2.73Å; I30-L32 PolarHBondContact O-N 3.08Å; L32-L35 PolarHBondContact O-N 3.47Å; L32-L36 HydrophobicContact CG-CD1 4.2Å; L32-L36 VanDerWaalsContact O-CB 3.32Å; L32-L36 WeakPolarHBondContact O-CB 3.17Å; L32-L36 WeakPolarHBondContact O-CG 3.42Å; L32-L36 PolarHBondContact O-N 3.41Å
33	S	80.7	Confident	69.6	Low	66 Å²	66	104.5 Å²	104.5	46%	0.462	53%	0.526	S	S	.	.	H	α-helix	trans	-65	-40.5	174.7	85.7	0	0	0	0	111.5	G29 I30 L36 F37	G29-S33 WeakPolarHBondContact O-CB 3.24Å; G29-S33 PolarHBondContact O-N 2.75Å; I30-S33 PolarHBondContact O-N 3.37Å; I30-S33 PolarHBondContact O-OG 3.26Å; S33-L36 PolarHBondContact O-N 2.75Å; S33-F37 WeakPolarHBondContact O-CB 3.42Å; S33-F37 PolarHBondContact O-N 3.11Å
34	L	83.5	Confident	69	Low	96 Å²	96	103.2 Å²	103.2	50%	0.503	52%	0.521	S	S	.	.	H	α-helix	trans	-68.6	-38.1	176.8	-73	174.7	0	0	0	111.1	I30 I31 F37 Q38	I30-L34 HydrophobicContact CG2-CD1 3.79Å; I30-L34 HydrophobicContact CG2-CG 4.19Å; I30-L34 WeakPolarHBondContact O-CB 3.24Å; I30-L34 VanDerWaalsContact O-CG 3.28Å; I30-L34 WeakPolarHBondContact O-CG 3.17Å; I30-L34 PolarHBondContact O-N 3.47Å; I31-L34 PolarHBondContact O-N 2.77Å; L34-F37 PolarHBondContact O-N 3.37Å; L34-Q38 WeakPolarHBondContact O-CB 3.32Å; L34-Q38 WeakPolarHBondContact O-CG 3.11Å; L34-Q38 PolarHBondContact O-N 3.47Å
35	L	82.6	Confident	68.9	Low	111 Å²	111	97.3 Å²	97.3	58%	0.581	50%	0.498	S	S	*	.	H	α-helix	trans	-68.6	-41.5	174.3	-73.9	175.2	0	0	0	111.5	I31 L32 Q38 L39	I31-L35 HydrophobicContact CG2-CD1 3.94Å; I31-L35 HydrophobicContact CG2-CG 4.28Å; I31-L35 WeakPolarHBondContact O-CB 3.26Å; I31-L35 VanDerWaalsContact O-CG 3.26Å; I31-L35 WeakPolarHBondContact O-CG 3.36Å; I31-L35 PolarHBondContact O-N 2.76Å; L32-L35 PolarHBondContact O-N 3.47Å; L35-Q38 PolarHBondContact O-N 3.4Å; L35-L39 WeakPolarHBondContact O-CB 3.33Å; L35-L39 PolarHBondContact O-N 3.24Å
36	L	80.7	Confident	68.3	Low	90 Å²	90	96.5 Å²	96.5	47%	0.471	49%	0.491	S	S	.	.	H	α-helix	trans	-64.6	-42.2	172.7	-82.2	166.4	0	0	0	111.1	L32 S33 L39 I40	L32-L36 HydrophobicContact CG-CD1 4.2Å; L32-L36 VanDerWaalsContact O-CB 3.32Å; L32-L36 WeakPolarHBondContact O-CB 3.17Å; L32-L36 WeakPolarHBondContact O-CG 3.42Å; L32-L36 PolarHBondContact O-N 3.41Å; S33-L36 PolarHBondContact O-N 2.75Å; L36-L39 CarbonylContact O-C 3.6Å; L36-L39 WeakPolarHBondContact O-CB 3.19Å; L36-L39 PolarHBondContact O-N 3.49Å; L36-I40 WeakPolarHBondContact O-CB 3.2Å; L36-I40 WeakPolarHBondContact O-CD1 3.46Å; L36-I40 WeakPolarHBondContact O-CG1 3.46Å; L36-I40 PolarHBondContact O-N 3.13Å
37	F	78	Confident	68.1	Low	125 Å²	125	87.8 Å²	87.8	55%	0.548	45%	0.454	S	S	.	.	H	α-helix	trans	-66.2	-42.2	176.7	-167.9	-111.1	0	0	0	110.9	S33 L34 I40 I41	S33-F37 WeakPolarHBondContact O-CB 3.42Å; S33-F37 PolarHBondContact O-N 3.11Å; L34-F37 PolarHBondContact O-N 3.37Å; F37-I40 PolarHBondContact O-N 3.18Å; F37-I41 HydrophobicContact CD1-CD1 3.37Å; F37-I41 HydrophobicContact CD1-CG1 4.32Å; F37-I41 HydrophobicContact CE1-CD1 3.26Å; F37-I41 HydrophobicContact CE1-CG1 4.27Å; F37-I41 HydrophobicContact CG-CD1 4.13Å; F37-I41 HydrophobicContact CZ-CD1 3.91Å; F37-I41 VanDerWaalsContact O-CB 3.32Å; F37-I41 WeakPolarHBondContact O-CB 3.13Å; F37-I41 WeakPolarHBondContact O-CG1 3.42Å; F37-I41 PolarHBondContact O-N 3.06Å
38	Q	71.1	Confident	67.8	Low	102 Å²	102	82 Å²	82	48%	0.477	43%	0.429	S	S	.	.	H	α-helix	trans	-65.4	-36.5	171.8	-76.3	-65.7	-24.8	0	0	112.3	L34 L35 S42	L34-Q38 WeakPolarHBondContact O-CB 3.32Å; L34-Q38 WeakPolarHBondContact O-CG 3.11Å; L34-Q38 PolarHBondContact O-N 3.47Å; L35-Q38 PolarHBondContact O-N 3.4Å; Q38-S42 WeakPolarHBondContact O-CB 3.21Å; Q38-S42 PolarHBondContact O-N 3.5Å; Q38-S42 PolarHBondContact O-OG 3.37Å
39	L	70.5	Confident	68.2	Low	103 Å²	103	75.2 Å²	75.2	54%	0.539	40%	0.403	S	S	.	.	H	α-helix	trans	-64.9	-46.7	173.1	-167.6	92.4	0	0	0	110.2	L35 L36 S42 L43	L35-L39 WeakPolarHBondContact O-CB 3.33Å; L35-L39 PolarHBondContact O-N 3.24Å; L36-L39 CarbonylContact O-C 3.6Å; L36-L39 WeakPolarHBondContact O-CB 3.19Å; L36-L39 PolarHBondContact O-N 3.49Å; L39-S42 PolarHBondContact O-N 3.29Å; L39-L43 HydrophobicContact CD2-CD1 4.31Å; L39-L43 HydrophobicContact CG-CD1 4.23Å; L39-L43 WeakPolarHBondContact O-CB 3.32Å; L39-L43 WeakPolarHBondContact O-CG 3.43Å; L39-L43 PolarHBondContact O-N 2.81Å
40	I	65.6	Low	69.1	Low	85 Å²	85	74.9 Å²	74.9	44%	0.436	40%	0.398	S	S	.	.	H	α-helix	trans	-62.3	-47.3	176.8	-69.7	163.3	0	0	0	110	L36 F37 S42 L43 M44	L36-I40 WeakPolarHBondContact O-CB 3.2Å; L36-I40 WeakPolarHBondContact O-CD1 3.46Å; L36-I40 WeakPolarHBondContact O-CG1 3.46Å; L36-I40 PolarHBondContact O-N 3.13Å; F37-I40 PolarHBondContact O-N 3.18Å; I40-S42 VanDerWaalsContact C-N 3.3Å; I40-S42 PolarHBondContact O-N 3.13Å; I40-L43 CarbonylContact O-C 3.55Å; I40-L43 WeakPolarHBondContact O-CB 3.28Å; I40-L43 PolarHBondContact O-N 3.38Å; I40-L43 VanDerWaalsContact O-N 3.13Å; I40-M44 HydrophobicContact CG2-CG 4.42Å; I40-M44 HydrophobicContact CG2-SD 4.03Å; I40-M44 WeakPolarHBondContact O-CB 3.19Å; I40-M44 VanDerWaalsContact O-CG 3.28Å; I40-M44 WeakPolarHBondContact O-CG 3.14Å; I40-M44 PolarHBondContact O-N 2.87Å
41	I	60.5	Low	69.9	Low	50 Å²	50	73.3 Å²	73.3	26%	0.256	39%	0.388	S	S	.	.	H	α-helix	trans	-61	-39.3	175	-71.7	168.3	0	0	0	111.2	F37 L43 M44	F37-I41 HydrophobicContact CD1-CD1 3.37Å; F37-I41 HydrophobicContact CD1-CG1 4.32Å; F37-I41 HydrophobicContact CE1-CD1 3.26Å; F37-I41 HydrophobicContact CE1-CG1 4.27Å; F37-I41 HydrophobicContact CG-CD1 4.13Å; F37-I41 HydrophobicContact CZ-CD1 3.91Å; F37-I41 VanDerWaalsContact O-CB 3.32Å; F37-I41 WeakPolarHBondContact O-CB 3.13Å; F37-I41 WeakPolarHBondContact O-CG1 3.42Å; F37-I41 PolarHBondContact O-N 3.06Å; I41-L43 VanDerWaalsContact C-N 3.31Å; I41-L43 PolarHBondContact O-N 3.32Å; I41-M44 CarbonylContact O-C 3.42Å; I41-M44 PolarHBondContact O-N 3.11Å; I41-M44 VanDerWaalsContact O-O 3.13Å
42	S	52.6	Low	70.6	Confident	59 Å²	59	69.7 Å²	69.7	41%	0.413	37%	0.37	S	S	.	.	H	α-helix	trans	-68.4	-31.6	177.1	-66.2	0	0	0	0	112.3	Q38 L39 I40 N45	Q38-S42 WeakPolarHBondContact O-CB 3.21Å; Q38-S42 PolarHBondContact O-N 3.5Å; Q38-S42 PolarHBondContact O-OG 3.37Å; L39-S42 PolarHBondContact O-N 3.29Å; I40-S42 VanDerWaalsContact C-N 3.3Å; I40-S42 PolarHBondContact O-N 3.13Å; S42-N45 PolarHBondContact O-ND2 2.82Å; S42-N45 VanDerWaalsContact O-ND2 3.15Å
43	L	47.7	Very low	71.3	Confident	132 Å²	132	66.5 Å²	66.5	69%	0.691	35%	0.353	S	S	*	.	H	α-helix	trans	-75.7	-31.6	172.6	-69.8	166.7	0	0	0	111.7	L39 I40 I41 N45	L39-L43 HydrophobicContact CD2-CD1 4.31Å; L39-L43 HydrophobicContact CG-CD1 4.23Å; L39-L43 WeakPolarHBondContact O-CB 3.32Å; L39-L43 WeakPolarHBondContact O-CG 3.43Å; L39-L43 PolarHBondContact O-N 2.81Å; I40-L43 CarbonylContact O-C 3.55Å; I40-L43 WeakPolarHBondContact O-CB 3.28Å; I40-L43 PolarHBondContact O-N 3.38Å; I40-L43 VanDerWaalsContact O-N 3.13Å; I41-L43 VanDerWaalsContact C-N 3.31Å; I41-L43 PolarHBondContact O-N 3.32Å; L43-N45 VanDerWaalsContact C-N 3.34Å; L43-N45 PolarHBondContact O-N 3.23Å
44	M	47.4	Very low	71.9	Confident	132 Å²	132	63.3 Å²	63.3	65%	0.65	33%	0.331	S	S	*	.			trans	-83	75.1	174.7	-65.4	-174.1	92.5	0	0	110.6	I40 I41 P46	I40-M44 HydrophobicContact CG2-CG 4.42Å; I40-M44 HydrophobicContact CG2-SD 4.03Å; I40-M44 WeakPolarHBondContact O-CB 3.19Å; I40-M44 VanDerWaalsContact O-CG 3.28Å; I40-M44 WeakPolarHBondContact O-CG 3.14Å; I40-M44 PolarHBondContact O-N 2.87Å; I41-M44 CarbonylContact O-C 3.42Å; I41-M44 PolarHBondContact O-N 3.11Å; I41-M44 VanDerWaalsContact O-O 3.13Å; M44-P46 WeakPolarHBondContact O-CD 3.03Å
45	N	52	Low	72.4	Confident	55 Å²	55	58.8 Å²	58.8	29%	0.294	31%	0.307	S	S	.	.			trans	-86	102.2	166.7	-86.6	-56.6	0	0	0	110.2	S42 L43 V47	S42-N45 PolarHBondContact O-ND2 2.82Å; S42-N45 VanDerWaalsContact O-ND2 3.15Å; L43-N45 VanDerWaalsContact C-N 3.34Å; L43-N45 PolarHBondContact O-N 3.23Å; N45-V47 PolarHBondContact O-N 2.73Å
46	P	51.6	Low	72.9	Confident	72 Å²	72	55.8 Å²	55.8	47%	0.468	29%	0.288	S	S	.	.			trans	-74.1	17.2	-178.1	33	-39.1	0	0	0	113.5	M44 R88 K428	M44-P46 WeakPolarHBondContact O-CD 3.03Å; P46-R88 VanDerWaalsContact O-CZ 3.22Å; P46-R88 PolarHBondContact O-NH1 2.86Å; P46-R88 PolarHBondContact O-NH2 3.4Å; P46-K428 HydrophobicContact CG-CD 4.41Å
47	V	57.5	Low	73.3	Confident	11 Å²	11	57 Å²	57	7%	0.067	29%	0.287	C	S	.	.			trans	-110.6	52.5	-178.4	-157.3	0	0	0	0	111.7	N45 K428 L431	N45-V47 PolarHBondContact O-N 2.73Å; V47-K428 HydrophobicContact CG2-CB 3.85Å; V47-K428 HydrophobicContact CG2-CG 3.89Å; V47-L431 HydrophobicContact CB-CB 4.31Å; V47-L431 HydrophobicContact CG1-CB 3.46Å; V47-L431 VanDerWaalsContact CG1-CB 3.46Å; V47-L431 HydrophobicContact CG1-CD1 4.49Å
48	Q	62.6	Low	73.9	Confident	29 Å²	29	51.5 Å²	51.5	14%	0.136	26%	0.263	C	S	.	.			trans	-118.4	67.2	176.1	-71.6	173.7	-29.1	0	0	108.6	I50 K51 R88 V138	Q48-I50 PolarHBondContact O-N 2.7Å; Q48-K51 HydrophobicContact CB-CD 3.72Å; Q48-K51 HydrophobicContact CB-CG 3.9Å; Q48-K51 PolarHBondContact O-N 3.46Å; Q48-R88 VanDerWaalsContact C-CZ 3.49Å; Q48-R88 VanDerWaalsContact O-CZ 3.24Å; Q48-R88 PolarHBondContact O-NE 3.22Å; Q48-R88 PolarHBondContact O-NH2 2.04Å; Q48-R88 VanDerWaalsContact O-NH2 3.08Å; Q48-V138 HydrophobicContact CB-CG2 3.96Å; Q48-V138 HydrophobicContact CG-CB 4.17Å; Q48-V138 HydrophobicContact CG-CG2 3.81Å
49	G	75.5	Confident	74.5	Confident	13 Å²	13	52 Å²	52	13%	0.134	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-60.2	-33.5	-178.1	0	0	0	0	0	112.6	K51 W52 Y439	G49-K51 VanDerWaalsContact C-N 3.35Å; G49-K51 PolarHBondContact O-N 3.18Å; G49-W52 VanDerWaalsContact O-CD1 3.3Å; G49-Y439 PolarHBondContact O-OH 3.45Å
50	I	92.9	Very high	75.2	Confident	2 Å²	2	49.5 Å²	49.5	1%	0.01	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-81.1	-6.3	-173.6	-153.5	63.9	0	0	0	115.6	Q48 W52 L53 L135 V138 V152 A156 Y439	Q48-I50 PolarHBondContact O-N 2.7Å; I50-W52 PolarHBondContact O-N 3.15Å; I50-L53 HydrophobicContact CD1-CD1 3.75Å; I50-L53 HydrophobicContact CD1-CG 4.14Å; I50-L53 HydrophobicContact CG1-CD1 3.61Å; I50-L53 HydrophobicContact CG1-CG 4.15Å; I50-L53 PolarHBondContact O-N 2.79Å; I50-L135 HydrophobicContact CG2-CD2 4.25Å; I50-V138 HydrophobicContact CG2-CG1 4.46Å; I50-V152 HydrophobicContact CD1-CG1 3.92Å; I50-V152 HydrophobicContact CG1-CG1 3.68Å; I50-A156 HydrophobicContact CD1-CB 3.73Å; I50-Y439 HydrophobicContact CD1-CE1 4.3Å
51	K	93.6	Very high	75.9	Confident	59 Å²	59	49.1 Å²	49.1	26%	0.257	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-51.3	-31.6	-177.7	-96.7	178.9	156.8	177.8	0	114.1	Q48 G49 L53 G54 G86 P136 V138	Q48-K51 HydrophobicContact CB-CD 3.72Å; Q48-K51 HydrophobicContact CB-CG 3.9Å; Q48-K51 PolarHBondContact O-N 3.46Å; G49-K51 VanDerWaalsContact C-N 3.35Å; G49-K51 PolarHBondContact O-N 3.18Å; K51-L53 PolarHBondContact O-N 3.07Å; K51-L53 VanDerWaalsContact O-N 3.14Å; K51-G54 PolarHBondContact O-N 2.89Å; K51-G86 WeakPolarHBondContact CB-O 3.04Å; K51-P136 WeakPolarHBondContact CE-O 3.34Å; K51-P136 HydrophobicContact CG-CB 4.24Å; K51-P136 WeakPolarHBondContact CG-O 3.31Å; K51-V138 HydrophobicContact CD-CG2 4.39Å; K51-V138 HydrophobicContact CG-CG2 3.59Å
52	W	94.9	Very high	76.4	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-57.3	-26.4	-179.5	75.3	-95.4	0	0	0	113.8	G49 I50 G54 I55 L87 Q91 V107 A110 A111 A156 L160 F268 L269	G49-W52 VanDerWaalsContact O-CD1 3.3Å; I50-W52 PolarHBondContact O-N 3.15Å; W52-G54 PolarHBondContact O-N 3.26Å; W52-G54 VanDerWaalsContact O-N 3.09Å; W52-I55 HydrophobicContact CE3-CD1 4.02Å; W52-I55 HydrophobicContact CE3-CG1 4.48Å; W52-I55 HydrophobicContact CZ3-CD1 4.31Å; W52-I55 VanDerWaalsContact O-CG1 3.24Å; W52-I55 WeakPolarHBondContact O-CG1 3.43Å; W52-I55 VanDerWaalsContact O-CG2 3.31Å; W52-I55 WeakPolarHBondContact O-CG2 3.35Å; W52-I55 PolarHBondContact O-N 3.05Å; W52-L87 HydrophobicContact CB-CD2 3.64Å; W52-Q91 VanDerWaalsContact CB-NE2 3.34Å; W52-V107 HydrophobicContact CE3-CG1 3.93Å; W52-V107 HydrophobicContact CZ3-CG1 3.66Å; W52-A110 HydrophobicContact CH2-CB 4.26Å; W52-A111 HydrophobicContact CZ3-CB 4.04Å; W52-A156 HydrophobicContact CZ2-CB 3.93Å; W52-L160 HydrophobicContact CH2-CD2 4.46Å; W52-L160 HydrophobicContact CZ2-CD2 4.48Å; W52-F268 HydrophobicContact CB-CE1 4.27Å; W52-F268 HydrophobicContact CB-CZ 4.23Å; W52-F268 AromaticContact CD2-CE1 3.62Å; W52-F268 HydrophobicContact CD2-CE1 3.62Å; W52-F268 HydrophobicContact CD2-CZ 4.22Å; W52-F268 AromaticContact CE3-CE1 3.73Å; W52-F268 HydrophobicContact CE3-CE1 3.73Å; W52-F268 HydrophobicContact CE3-CZ 4.08Å; W52-F268 AromaticContact CG-CE1 3.88Å; W52-F268 HydrophobicContact CG-CE1 3.88Å; W52-F268 HydrophobicContact CG-CZ 4.31Å; W52-F268 HydrophobicContact CZ3-CE1 4.24Å; W52-L269 HydrophobicContact CZ2-CD2 3.97Å
53	L	95.8	Very high	77.3	Confident	4 Å²	4	50.3 Å²	50.3	2%	0.021	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-58.1	-25.3	175.1	-68.9	179.2	0	0	0	111.1	I50 K51 I55 Y56 A111 V114 L135 V152 A156	I50-L53 HydrophobicContact CD1-CD1 3.75Å; I50-L53 HydrophobicContact CD1-CG 4.14Å; I50-L53 HydrophobicContact CG1-CD1 3.61Å; I50-L53 HydrophobicContact CG1-CG 4.15Å; I50-L53 PolarHBondContact O-N 2.79Å; K51-L53 PolarHBondContact O-N 3.07Å; K51-L53 VanDerWaalsContact O-N 3.14Å; L53-I55 PolarHBondContact O-N 3.15Å; L53-Y56 WeakPolarHBondContact O-CD1 3.45Å; L53-Y56 PolarHBondContact O-N 3.28Å; L53-A111 HydrophobicContact CD2-CB 4.27Å; L53-V114 HydrophobicContact CD1-CB 4.46Å; L53-V114 HydrophobicContact CD1-CG1 3.68Å; L53-V114 HydrophobicContact CD2-CB 4Å; L53-V114 HydrophobicContact CD2-CG1 4.09Å; L53-V114 HydrophobicContact CD2-CG2 4.09Å; L53-L135 HydrophobicContact CB-CD1 3.67Å; L53-L135 HydrophobicContact CD1-CD1 4.01Å; L53-L135 HydrophobicContact CG-CD1 4.4Å; L53-V152 HydrophobicContact CD1-CG1 4.31Å; L53-A156 HydrophobicContact CD1-CB 4.39Å; L53-A156 HydrophobicContact CD2-CB 4.22Å
54	G	94	Very high	78.3	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-54.5	-16.4	174.6	0	0	0	0	0	114.8	K51 W52 Y56 R57	K51-G54 PolarHBondContact O-N 2.89Å; W52-G54 PolarHBondContact O-N 3.26Å; W52-G54 VanDerWaalsContact O-N 3.09Å; G54-Y56 PolarHBondContact O-N 3.41Å; G54-R57 PolarHBondContact O-N 2.95Å
55	I	94.2	Very high	79.5	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-61.5	-17.8	173	70.8	-179	0	0	0	114	W52 L53 R57 L58 A81 L85 L87 V107 L108 A111	W52-I55 HydrophobicContact CE3-CD1 4.02Å; W52-I55 HydrophobicContact CE3-CG1 4.48Å; W52-I55 HydrophobicContact CZ3-CD1 4.31Å; W52-I55 VanDerWaalsContact O-CG1 3.24Å; W52-I55 WeakPolarHBondContact O-CG1 3.43Å; W52-I55 VanDerWaalsContact O-CG2 3.31Å; W52-I55 WeakPolarHBondContact O-CG2 3.35Å; W52-I55 PolarHBondContact O-N 3.05Å; L53-I55 PolarHBondContact O-N 3.15Å; I55-R57 PolarHBondContact O-N 3.33Å; I55-L58 WeakPolarHBondContact O-CB 3.5Å; I55-L58 PolarHBondContact O-N 3.3Å; I55-A81 HydrophobicContact CG2-CB 4.04Å; I55-L85 HydrophobicContact CG2-CB 4.12Å; I55-L87 HydrophobicContact CG2-CD1 4.29Å; I55-L87 HydrophobicContact CG2-CD2 3.54Å; I55-L87 HydrophobicContact CG2-CG 3.76Å; I55-V107 HydrophobicContact CD1-CB 4.43Å; I55-V107 HydrophobicContact CD1-CG1 3.71Å; I55-L108 HydrophobicContact CG1-CD1 4.25Å; I55-L108 WeakPolarHBondContact O-CD1 3.4Å; I55-A111 HydrophobicContact CD1-CB 4.2Å; I55-A111 HydrophobicContact CG1-CB 3.65Å
56	Y	91.8	Very high	80.2	Confident	48 Å²	48	47.6 Å²	47.6	19%	0.188	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-58.9	-17.5	174.2	83.5	-101.1	0	0	0	112.4	L53 G54 L58 H112 H133	L53-Y56 WeakPolarHBondContact O-CD1 3.45Å; L53-Y56 PolarHBondContact O-N 3.28Å; G54-Y56 PolarHBondContact O-N 3.41Å; Y56-L58 VanDerWaalsContact C-N 3.3Å; Y56-H112 PolarHBondContact O-CE1 2.9Å; Y56-H112 PolarHBondContact O-NE2 3.02Å; Y56-H133 WeakPolarHBondContact OH-CA 3.43Å; Y56-H133 PolarHBondContact OH-O 3Å
57	R	89.9	Confident	81.2	Confident	116 Å²	116	51.8 Å²	51.8	44%	0.438	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-83.6	-1.6	174.5	-60.2	-179	178.4	176.8	0.3	113.6	G54 I55 L85 H133 Q134 L135	G54-R57 PolarHBondContact O-N 2.95Å; I55-R57 PolarHBondContact O-N 3.33Å; R57-L85 HydrophobicContact CB-CD2 4.12Å; R57-H133 PolarHBondContact NH2-O 2.7Å; R57-Q134 VanDerWaalsContact NH2-C 3.26Å; R57-Q134 PolarHBondContact NH2-O 3.14Å; R57-L135 PolarHBondContact NE-O 2.96Å; R57-L135 VanDerWaalsContact NE-O 3.13Å; R57-L135 PolarHBondContact NH1-O 2.92Å; R57-L135 PolarHBondContact NH2-O 3.09Å; R57-L135 VanDerWaalsContact NH2-O 3.17Å
58	L	89.6	Confident	82	Confident	9 Å²	9	53.3 Å²	53.3	5%	0.047	30%	0.295	C	S	.	.	S	Bend	trans	-68.6	125.5	173.5	-169.7	72	0	0	0	108.1	I55 Y56 K60 F73 K80 L85 L108	I55-L58 WeakPolarHBondContact O-CB 3.5Å; I55-L58 PolarHBondContact O-N 3.3Å; Y56-L58 VanDerWaalsContact C-N 3.3Å; L58-K60 HydrophobicContact CD2-CB 4.01Å; L58-K60 HydrophobicContact CD2-CD 4.43Å; L58-K60 HydrophobicContact CG-CB 4.18Å; L58-K60 PolarHBondContact O-N 2.81Å; L58-F73 HydrophobicContact CD2-CD2 4.38Å; L58-F73 HydrophobicContact CD2-CE2 3.59Å; L58-F73 HydrophobicContact CD2-CZ 3.81Å; L58-K80 HydrophobicContact CD1-CD 3.98Å; L58-K80 HydrophobicContact CD1-CG 4.44Å; L58-L85 HydrophobicContact CB-CD1 3.78Å; L58-L85 HydrophobicContact CD1-CD1 3.86Å; L58-L85 HydrophobicContact CG-CD1 4.43Å; L58-L108 HydrophobicContact CB-CD1 4.49Å
59	P	85.1	Confident	82.8	Confident	113 Å²	113	55.1 Å²	55.1	73%	0.734	31%	0.308	S	S	*	.			trans	-77.6	61.4	178.6	34.1	-36.3	0	0	0	110.4
60	K	84.4	Confident	83	Confident	50 Å²	50	54.6 Å²	54.6	22%	0.217	30%	0.302	C	S	.	.			trans	-122.9	130.1	175.5	-168.2	-176.5	-175.8	100.1	0	107.4	L58 A62 F73 E77 L108	L58-K60 HydrophobicContact CD2-CB 4.01Å; L58-K60 HydrophobicContact CD2-CD 4.43Å; L58-K60 HydrophobicContact CG-CB 4.18Å; L58-K60 PolarHBondContact O-N 2.81Å; K60-A62 PolarHBondContact O-N 2.9Å; K60-F73 HydrophobicContact CD-CD1 4.05Å; K60-F73 HydrophobicContact CD-CE1 3.63Å; K60-F73 HydrophobicContact CD-CZ 4.13Å; K60-E77 WeakPolarHBondContact CD-OE1 3.32Å; K60-E77 IonicContact NZ-OE1 2.77Å; K60-E77 PolarHBondContact NZ-OE1 2.93Å; K60-E77 IonicContact NZ-OE2 2.93Å; K60-E77 PolarHBondContact NZ-OE2 3.06Å; K60-L108 HydrophobicContact CB-CD2 4.04Å
61	S	79.6	Confident	82.7	Confident	77 Å²	77	60.4 Å²	60.4	54%	0.538	33%	0.334	S	S	.	.			trans	-60.3	129.7	173.3	178.8	0	0	0	0	109.1	D63	S61-D63 PolarHBondContact OG-N 3.14Å; S61-D63 PolarHBondContact OG-O 3.45Å
62	A	72.1	Confident	82.5	Confident	15 Å²	15	61.5 Å²	61.5	12%	0.124	34%	0.336	C	S	.	.	S	Bend	trans	-84.2	-8.6	170.8	0	0	0	0	0	111.5	K60 L108 R109	K60-A62 PolarHBondContact O-N 2.9Å; A62-L108 HydrophobicContact CB-CD2 4.37Å; A62-L108 HydrophobicContact CB-CG 4.41Å; A62-R109 HydrophobicContact CB-CG 3.47Å; A62-R109 VanDerWaalsContact CB-CG 3.47Å; A62-R109 WeakPolarHBondContact O-CD 3.1Å; A62-R109 PolarHBondContact O-NH1 3.28Å
63	D	71.5	Confident	82.3	Confident	119 Å²	119	61.5 Å²	61.5	64%	0.636	34%	0.336	S	S	*	.			trans	-93.1	140.3	176.5	-60.4	-35	0	0	0	109.9	S61 R109	S61-D63 PolarHBondContact OG-N 3.14Å; S61-D63 PolarHBondContact OG-O 3.45Å; D63-R109 IonicContact OD1-NH1 2.96Å; D63-R109 PolarHBondContact OD1-NH1 2.86Å
64	H	69.3	Low	82.2	Confident	47 Å²	47	64.3 Å²	64.3	22%	0.218	35%	0.354	C	S	.	.			trans	-143	154.4	-174.4	58.7	-65.4	0	0	0	108	L105 Y167 K172	H64-L105 HydrophobicContact CB-CD2 4.16Å; H64-Y167 AromaticContact CE1-CE1 3.72Å; H64-Y167 AromaticContact CE1-CZ 3.63Å; H64-Y167 PolarHBondContact CE1-OH 2.67Å; H64-Y167 PolarHBondContact ND1-OH 2.85Å; H64-K172 PolarHBondContact CD2-NZ 3.41Å; H64-K172 WeakPolarHBondContact NE2-CD 3.47Å; H64-K172 WeakPolarHBondContact NE2-CE 3.47Å; H64-K172 WeakPolarHBondContact NE2-CG 3.23Å; H64-K172 PolarHBondContact NE2-NZ 3.22Å
65	P	71.4	Confident	82.2	Confident	89 Å²	89	68.4 Å²	68.4	58%	0.578	38%	0.38	S	S	*	.			trans	-51.7	143.5	178.8	-25.3	32.5	0	0	0	112.2	D67 S68 K172	P65-D67 PolarHBondContact O-N 2.7Å; P65-D67 VanDerWaalsContact O-N 3.11Å; P65-S68 WeakPolarHBondContact CD-OG 3.27Å; P65-S68 PolarHBondContact O-N 2.74Å; P65-K172 PolarHBondContact O-NZ 3.08Å
66	V	67.9	Low	82.2	Confident	126 Å²	126	73.9 Å²	73.9	76%	0.764	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-26.2	-178.3	-179.4	0	0	0	0	111.7	K172	V66-K172 PolarHBondContact O-NZ 2.95Å
67	D	70.8	Confident	82.4	Confident	160 Å²	160	73.5 Å²	73.5	86%	0.856	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.8	5.5	-172.6	-54.5	-40.5	0	0	0	114.7	P65	P65-D67 PolarHBondContact O-N 2.7Å; P65-D67 VanDerWaalsContact O-N 3.11Å
68	S	75.6	Confident	82.6	Confident	43 Å²	43	68 Å²	68	30%	0.301	39%	0.389	S	S	.	.	S	Bend	trans	-108.9	150.8	179.4	75.1	0	0	0	0	113	P65 K172	P65-S68 WeakPolarHBondContact CD-OG 3.27Å; P65-S68 PolarHBondContact O-N 2.74Å; S68-K172 WeakPolarHBondContact O-CD 3.37Å; S68-K172 PolarHBondContact O-NZ 2.92Å
69	T	79.7	Confident	82.9	Confident	68 Å²	68	72.4 Å²	72.4	42%	0.417	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-63.2	148.3	162.6	52.1	0	0	0	0	109.4	D71	T69-D71 PolarHBondContact O-N 3.05Å
70	A	79.4	Confident	83.3	Confident	1 Å²	1	71.6 Å²	71.6	1%	0.008	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-68.7	131.7	173	0	0	0	0	0	110	L105 K172	A70-L105 HydrophobicContact CB-CB 4.04Å; A70-L105 HydrophobicContact CB-CD2 3.49Å; A70-L105 VanDerWaalsContact CB-CD2 3.49Å; A70-L105 HydrophobicContact CB-CG 4.39Å; A70-K172 VanDerWaalsContact CB-O 3.31Å; A70-K172 WeakPolarHBondContact CB-O 3.47Å; A70-K172 PolarHBondContact N-O 2.97Å
71	D	85.4	Confident	83.8	Confident	125 Å²	125	69.2 Å²	69.2	67%	0.668	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-65.3	140.6	171.7	-65.4	-39	0	0	0	110.3	T69	T69-D71 PolarHBondContact O-N 3.05Å
72	R	89.5	Confident	84.5	Confident	81 Å²	81	66.7 Å²	66.7	31%	0.306	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-65.6	159.6	170.4	65.3	173.5	-68.8	-179.8	5.8	110.1	M96 Y102	R72-M96 PolarHBondContact NH2-O 3.3Å; R72-Y102 HydrophobicContact CB-CD1 4Å; R72-Y102 HydrophobicContact CB-CE1 4.18Å; R72-Y102 HydrophobicContact CB-CG 4.41Å; R72-Y102 HydrophobicContact CG-CE1 4.49Å
73	F	92.5	Very high	85.5	Confident	0 Å²	0	71.8 Å²	71.8	0%	0	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-66.6	142.7	167.2	-81.6	24.3	0	0	0	110.4	L58 K60 E77 M104 L108	L58-F73 HydrophobicContact CD2-CD2 4.38Å; L58-F73 HydrophobicContact CD2-CE2 3.59Å; L58-F73 HydrophobicContact CD2-CZ 3.81Å; K60-F73 HydrophobicContact CD-CD1 4.05Å; K60-F73 HydrophobicContact CD-CE1 3.63Å; K60-F73 HydrophobicContact CD-CZ 4.13Å; F73-E77 WeakPolarHBondContact CA-OE2 3.5Å; F73-E77 HydrophobicContact CB-CB 4.14Å; F73-E77 HydrophobicContact CD2-CB 4.07Å; F73-E77 HydrophobicContact CG-CB 4.26Å; F73-M104 HydrophobicContact CB-CB 4.19Å; F73-M104 HydrophobicContact CB-CG 4.49Å; F73-M104 HydrophobicContact CD1-CB 3.55Å; F73-M104 HydrophobicContact CD2-CB 3.99Å; F73-M104 HydrophobicContact CD2-CE 4.09Å; F73-M104 HydrophobicContact CD2-CG 4.46Å; F73-M104 HydrophobicContact CE1-CB 3.85Å; F73-M104 HydrophobicContact CE2-CB 4.26Å; F73-M104 HydrophobicContact CE2-CE 3.98Å; F73-M104 HydrophobicContact CG-CB 3.63Å; F73-M104 HydrophobicContact CG-CG 4.3Å; F73-M104 HydrophobicContact CZ-CB 4.2Å; F73-L108 HydrophobicContact CZ-CB 4.04Å; F73-L108 HydrophobicContact CZ-CD2 4.09Å
74	T	93.2	Very high	86.5	Confident	64 Å²	64	73.5 Å²	73.5	39%	0.393	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-70.4	158.1	170.7	71	0	0	0	0	110.2	D76 E77 C78	T74-D76 PolarHBondContact O-N 3Å; T74-E77 PolarHBondContact N-OE2 3.06Å; T74-E77 PolarHBondContact O-N 2.88Å; T74-E77 VanDerWaalsContact O-N 3.14Å; T74-E77 VanDerWaalsContact OG1-CG 3.27Å; T74-E77 WeakPolarHBondContact OG1-CG 3.27Å; T74-E77 PolarHBondContact OG1-N 3.45Å; T74-E77 VanDerWaalsContact OG1-N 3.15Å; T74-C78 PolarHBondContact O-N 3.39Å
75	P	94.1	Very high	87.6	Confident	85 Å²	85	72 Å²	72	55%	0.552	39%	0.388	S	S	*	.	H	α-helix	trans	-52	-42.5	173.1	-28	36.6	0	0	0	112.8	E77 C78 Q79	P75-E77 PolarHBondContact O-N 3.15Å; P75-C78 WeakPolarHBondContact O-CB 3.22Å; P75-C78 PolarHBondContact O-N 3.4Å; P75-Q79 WeakPolarHBondContact O-CB 3.3Å; P75-Q79 PolarHBondContact O-N 3Å
76	D	94	Very high	88.6	Confident	116 Å²	116	68.5 Å²	68.5	62%	0.62	37%	0.368	S	S	*	.	H	α-helix	trans	-63.7	-40.4	177.7	-61.9	-17.2	0	0	0	112.6	T74 Q79 K80	T74-D76 PolarHBondContact O-N 3Å; D76-Q79 PolarHBondContact O-N 2.83Å; D76-K80 VanDerWaalsContact O-CB 3.22Å; D76-K80 WeakPolarHBondContact O-CB 3.32Å; D76-K80 PolarHBondContact O-N 3.15Å
77	E	94.6	Very high	89.8	Confident	39 Å²	39	62.9 Å²	62.9	18%	0.182	33%	0.333	C	S	.	.	H	α-helix	trans	-63.5	-43.3	175.1	-74.2	172.5	155.9	0	0	111.1	K60 F73 T74 P75 A81	K60-E77 WeakPolarHBondContact CD-OE1 3.32Å; K60-E77 IonicContact NZ-OE1 2.77Å; K60-E77 PolarHBondContact NZ-OE1 2.93Å; K60-E77 IonicContact NZ-OE2 2.93Å; K60-E77 PolarHBondContact NZ-OE2 3.06Å; F73-E77 WeakPolarHBondContact CA-OE2 3.5Å; F73-E77 HydrophobicContact CB-CB 4.14Å; F73-E77 HydrophobicContact CD2-CB 4.07Å; F73-E77 HydrophobicContact CG-CB 4.26Å; T74-E77 PolarHBondContact N-OE2 3.06Å; T74-E77 PolarHBondContact O-N 2.88Å; T74-E77 VanDerWaalsContact O-N 3.14Å; T74-E77 VanDerWaalsContact OG1-CG 3.27Å; T74-E77 WeakPolarHBondContact OG1-CG 3.27Å; T74-E77 PolarHBondContact OG1-N 3.45Å; T74-E77 VanDerWaalsContact OG1-N 3.15Å; P75-E77 PolarHBondContact O-N 3.15Å; E77-A81 WeakPolarHBondContact O-CB 3.07Å; E77-A81 PolarHBondContact O-N 3.49Å
78	C	95.7	Very high	90.7	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-63.2	-43.2	175.1	-69.1	0	0	0	0	112	T74 P75 A81 A82 C95 M96	T74-C78 PolarHBondContact O-N 3.39Å; P75-C78 WeakPolarHBondContact O-CB 3.22Å; P75-C78 PolarHBondContact O-N 3.4Å; C78-A81 PolarHBondContact O-N 3.14Å; C78-A82 WeakPolarHBondContact O-CB 3.29Å; C78-A82 PolarHBondContact O-N 3.06Å; C78-C95 WeakPolarHBondContact CA-SG 3.33Å; C78-C95 HydrophobicContact CB-CB 3.85Å; C78-C95 WeakPolarHBondContact CB-SG 3.27Å; C78-C95 WeakPolarHBondContact SG-CB 3.44Å; C78-C95 PolarHBondContact SG-O 3.21Å; C78-C95 VanDerWaalsContact SG-O 3.4Å; C78-C95 CovalentContact SG-SG 2.04Å; C78-C95 PolarHBondContact SG-SG 3.3Å; C78-M96 HydrophobicContact CB-CE 4.05Å; C78-M96 HydrophobicContact CB-CG 3.86Å
79	Q	95.1	Very high	91.3	Very high	103 Å²	103	68.1 Å²	68.1	48%	0.481	33%	0.334	S	S	.	.	H	α-helix	trans	-66.8	-43.4	178.6	-169.5	-180	19	0	0	111.3	P75 D76 A81 A82 N83 M96	P75-Q79 WeakPolarHBondContact O-CB 3.3Å; P75-Q79 PolarHBondContact O-N 3Å; D76-Q79 PolarHBondContact O-N 2.83Å; Q79-A81 VanDerWaalsContact C-N 3.33Å; Q79-A81 PolarHBondContact O-N 3.1Å; Q79-A82 PolarHBondContact O-N 3.02Å; Q79-N83 WeakPolarHBondContact O-CB 3.49Å; Q79-N83 VanDerWaalsContact O-CG 3.28Å; Q79-N83 PolarHBondContact O-N 3.23Å; Q79-M96 HydrophobicContact CB-CE 4.48Å
80	K	94.4	Very high	91.8	Very high	95 Å²	95	69.6 Å²	69.6	41%	0.413	33%	0.332	S	S	.	.	H	α-helix	trans	-60.2	-43.2	173.1	-177	176.2	179.7	178.1	0	111.2	L58 D76 A82 K84	L58-K80 HydrophobicContact CD1-CD 3.98Å; L58-K80 HydrophobicContact CD1-CG 4.44Å; D76-K80 VanDerWaalsContact O-CB 3.22Å; D76-K80 WeakPolarHBondContact O-CB 3.32Å; D76-K80 PolarHBondContact O-N 3.15Å; K80-A82 VanDerWaalsContact C-N 3.35Å; K80-K84 WeakPolarHBondContact O-CB 3.1Å; K80-K84 PolarHBondContact O-N 3.2Å
81	A	94.7	Very high	92.5	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-65.5	-37.7	178.3	0	0	0	0	0	112.3	I55 E77 C78 Q79 L85 G86 L87	I55-A81 HydrophobicContact CG2-CB 4.04Å; E77-A81 WeakPolarHBondContact O-CB 3.07Å; E77-A81 PolarHBondContact O-N 3.49Å; C78-A81 PolarHBondContact O-N 3.14Å; Q79-A81 VanDerWaalsContact C-N 3.33Å; Q79-A81 PolarHBondContact O-N 3.1Å; A81-L85 CarbonylContact O-C 3.4Å; A81-L85 VanDerWaalsContact O-C 3.32Å; A81-L85 WeakPolarHBondContact O-CA 3.47Å; A81-L85 PolarHBondContact O-N 3.02Å; A81-G86 PolarHBondContact O-N 3.37Å; A81-G86 VanDerWaalsContact O-N 3.11Å; A81-L87 HydrophobicContact CB-CD1 3.45Å; A81-L87 VanDerWaalsContact CB-CD1 3.45Å; A81-L87 HydrophobicContact CB-CG 3.81Å; A81-L87 PolarHBondContact O-N 2.96Å
82	A	93.4	Very high	92.9	Very high	24 Å²	24	64.5 Å²	64.5	20%	0.198	31%	0.307	C	S	.	.	H	α-helix	trans	-66.8	-52.1	173.2	0	0	0	0	0	112.7	C78 Q79 K80 L87 A92	C78-A82 WeakPolarHBondContact O-CB 3.29Å; C78-A82 PolarHBondContact O-N 3.06Å; Q79-A82 PolarHBondContact O-N 3.02Å; K80-A82 VanDerWaalsContact C-N 3.35Å; A82-L87 WeakPolarHBondContact CA-O 3.38Å; A82-L87 HydrophobicContact CB-CB 4.39Å; A82-A92 HydrophobicContact CB-CB 3.97Å
83	N	92.8	Very high	93.1	Very high	122 Å²	122	68.6 Å²	68.6	65%	0.652	32%	0.322	S	S	*	.	H	α-helix	trans	-77	-37.1	-170.5	-66.1	-8.3	0	0	0	112.7	Q79	Q79-N83 WeakPolarHBondContact O-CB 3.49Å; Q79-N83 VanDerWaalsContact O-CG 3.28Å; Q79-N83 PolarHBondContact O-N 3.23Å
84	K	92.7	Very high	93.1	Very high	155 Å²	155	69 Å²	69	67%	0.674	32%	0.324	S	S	*	.	H	α-helix	trans	-113.2	-26.7	-171.4	-60.8	-171.9	179.3	-178.5	0	114.6	K80	K80-K84 WeakPolarHBondContact O-CB 3.1Å; K80-K84 PolarHBondContact O-N 3.2Å
85	L	93.9	Very high	93.3	Very high	17 Å²	17	66 Å²	66	9%	0.089	31%	0.305	C	S	.	.	H	α-helix	trans	-112.1	5	-171	-52.5	178.9	0	0	0	114	I55 R57 L58 A81	I55-L85 HydrophobicContact CG2-CB 4.12Å; R57-L85 HydrophobicContact CB-CD2 4.12Å; L58-L85 HydrophobicContact CB-CD1 3.78Å; L58-L85 HydrophobicContact CD1-CD1 3.86Å; L58-L85 HydrophobicContact CG-CD1 4.43Å; A81-L85 CarbonylContact O-C 3.4Å; A81-L85 VanDerWaalsContact O-C 3.32Å; A81-L85 WeakPolarHBondContact O-CA 3.47Å; A81-L85 PolarHBondContact O-N 3.02Å
86	G	90.9	Very high	93.3	Very high	14 Å²	14	66.2 Å²	66.2	14%	0.144	30%	0.3	C	S	.	.			trans	88.9	15.9	167.8	0	0	0	0	0	115.9	K51 A81 R88	K51-G86 WeakPolarHBondContact CB-O 3.04Å; A81-G86 PolarHBondContact O-N 3.37Å; A81-G86 VanDerWaalsContact O-N 3.11Å; G86-R88 PolarHBondContact O-N 3.37Å
87	L	92.7	Very high	93.3	Very high	9 Å²	9	63.2 Å²	63.2	5%	0.047	28%	0.282	C	S	.	.			trans	-65.6	128	168	-61.6	-171.8	0	0	0	110.3	W52 I55 A81 A82 Q91 M104 F268	W52-L87 HydrophobicContact CB-CD2 3.64Å; I55-L87 HydrophobicContact CG2-CD1 4.29Å; I55-L87 HydrophobicContact CG2-CD2 3.54Å; I55-L87 HydrophobicContact CG2-CG 3.76Å; A81-L87 HydrophobicContact CB-CD1 3.45Å; A81-L87 VanDerWaalsContact CB-CD1 3.45Å; A81-L87 HydrophobicContact CB-CG 3.81Å; A81-L87 PolarHBondContact O-N 2.96Å; A82-L87 WeakPolarHBondContact CA-O 3.38Å; A82-L87 HydrophobicContact CB-CB 4.39Å; L87-Q91 HydrophobicContact CB-CB 4.02Å; L87-Q91 HydrophobicContact CD2-CB 4.03Å; L87-Q91 HydrophobicContact CG-CB 4.46Å; L87-M104 HydrophobicContact CD1-CE 4.22Å; L87-F268 HydrophobicContact CD2-CE2 4.47Å; L87-F268 HydrophobicContact CD2-CZ 3.99Å
88	R	90.2	Very high	93.1	Very high	89 Å²	89	64.2 Å²	64.2	34%	0.336	29%	0.292	S	S	.	.			trans	-77.3	164.4	174.9	-65.8	176.3	167.3	-121.1	-29.9	110.9	P46 Q48 G86 R90 Q91 A92	P46-R88 VanDerWaalsContact O-CZ 3.22Å; P46-R88 PolarHBondContact O-NH1 2.86Å; P46-R88 PolarHBondContact O-NH2 3.4Å; Q48-R88 VanDerWaalsContact C-CZ 3.49Å; Q48-R88 VanDerWaalsContact O-CZ 3.24Å; Q48-R88 PolarHBondContact O-NE 3.22Å; Q48-R88 PolarHBondContact O-NH2 2.04Å; Q48-R88 VanDerWaalsContact O-NH2 3.08Å; G86-R88 PolarHBondContact O-N 3.37Å; R88-R90 PolarHBondContact O-N 3.01Å; R88-Q91 CarbonylContact O-C 3.17Å; R88-Q91 WeakPolarHBondContact O-CA 3.47Å; R88-Q91 WeakPolarHBondContact O-CB 3.29Å; R88-Q91 PolarHBondContact O-N 3.03Å; R88-A92 PolarHBondContact O-N 3.29Å
89	R	89.7	Confident	92.9	Very high	223 Å²	223	68.9 Å²	68.9	84%	0.842	31%	0.31	S	S	*	.	H	α-helix	trans	-46.2	-42.5	176.3	-63.5	-177	-172.9	152.8	-0.4	114	R93	R89-R93 WeakPolarHBondContact O-CB 3.21Å; R89-R93 WeakPolarHBondContact O-CG 3.31Å; R89-R93 PolarHBondContact O-N 3.24Å
90	R	89.4	Confident	92.7	Very high	99 Å²	99	65.2 Å²	65.2	37%	0.374	29%	0.292	S	S	.	.	H	α-helix	trans	-62.3	-45.2	175.6	-179.7	-178.9	-69.7	130.2	-2	112.2	R88 R93 F94 L267	R88-R90 PolarHBondContact O-N 3.01Å; R90-R93 PolarHBondContact O-N 3.35Å; R90-F94 PolarHBondContact O-N 2.88Å; R90-L267 VanDerWaalsContact CD-O 3.22Å; R90-L267 WeakPolarHBondContact CD-O 3.36Å; R90-L267 WeakPolarHBondContact CG-O 3.45Å
91	Q	94	Very high	92.7	Very high	6 Å²	6	60.7 Å²	60.7	3%	0.028	27%	0.273	C	S	.	.	H	α-helix	trans	-72.5	-36.7	-178.5	-66.3	162.7	-30.9	0	0	111.7	W52 L87 R88 F94 C95 F268	W52-Q91 VanDerWaalsContact CB-NE2 3.34Å; L87-Q91 HydrophobicContact CB-CB 4.02Å; L87-Q91 HydrophobicContact CD2-CB 4.03Å; L87-Q91 HydrophobicContact CG-CB 4.46Å; R88-Q91 CarbonylContact O-C 3.17Å; R88-Q91 WeakPolarHBondContact O-CA 3.47Å; R88-Q91 WeakPolarHBondContact O-CB 3.29Å; R88-Q91 PolarHBondContact O-N 3.03Å; Q91-F94 WeakPolarHBondContact O-CB 3.37Å; Q91-F94 PolarHBondContact O-N 3.01Å; Q91-C95 WeakPolarHBondContact O-CB 3.43Å; Q91-C95 PolarHBondContact O-N 2.91Å; Q91-F268 HydrophobicContact CB-CD2 4.14Å; Q91-F268 HydrophobicContact CB-CE2 3.61Å; Q91-F268 HydrophobicContact CB-CZ 3.96Å; Q91-F268 HydrophobicContact CG-CD1 4.36Å; Q91-F268 HydrophobicContact CG-CD2 3.97Å; Q91-F268 HydrophobicContact CG-CE1 4.09Å; Q91-F268 HydrophobicContact CG-CE2 3.68Å; Q91-F268 HydrophobicContact CG-CG 4.3Å; Q91-F268 HydrophobicContact CG-CZ 3.73Å; Q91-F268 VanDerWaalsContact CG-O 3.23Å; Q91-F268 WeakPolarHBondContact CG-O 3.48Å
92	A	93.6	Very high	92.6	Very high	13 Å²	13	62.6 Å²	62.6	11%	0.107	28%	0.28	C	S	.	.	H	α-helix	trans	-63	-44.4	172.1	0	0	0	0	0	111.4	A82 R88 F94 C95 M96	A82-A92 HydrophobicContact CB-CB 3.97Å; R88-A92 PolarHBondContact O-N 3.29Å; A92-F94 VanDerWaalsContact C-N 3.34Å; A92-F94 PolarHBondContact O-N 2.85Å; A92-C95 WeakPolarHBondContact O-CB 3.2Å; A92-C95 PolarHBondContact O-N 3.04Å; A92-M96 WeakPolarHBondContact O-CG 3.21Å; A92-M96 PolarHBondContact O-N 3.11Å
93	R	92.9	Very high	92.6	Very high	168 Å²	168	61.5 Å²	61.5	63%	0.634	27%	0.271	S	S	*	.	H	α-helix	trans	-60.5	-41.5	172.4	-76.4	-170.6	-66.7	164.9	-4.6	112.4	R89 R90 C95 M96 H97	R89-R93 WeakPolarHBondContact O-CB 3.21Å; R89-R93 WeakPolarHBondContact O-CG 3.31Å; R89-R93 PolarHBondContact O-N 3.24Å; R90-R93 PolarHBondContact O-N 3.35Å; R93-C95 VanDerWaalsContact C-N 3.34Å; R93-M96 PolarHBondContact O-N 3.38Å; R93-H97 WeakPolarHBondContact O-CB 3.46Å; R93-H97 PolarHBondContact O-N 2.94Å
94	F	93.8	Very high	92.7	Very high	8 Å²	8	55.7 Å²	55.7	4%	0.035	24%	0.24	C	C	.	.	H	α-helix	trans	-60.3	-45.2	173.7	-176.4	-80	0	0	0	111.3	R90 Q91 A92 M96 H97 F100 A103 M104 V107 Y264 L267 F268	R90-F94 PolarHBondContact O-N 2.88Å; Q91-F94 WeakPolarHBondContact O-CB 3.37Å; Q91-F94 PolarHBondContact O-N 3.01Å; A92-F94 VanDerWaalsContact C-N 3.34Å; A92-F94 PolarHBondContact O-N 2.85Å; F94-M96 PolarHBondContact O-N 3.01Å; F94-H97 WeakPolarHBondContact O-CB 3.38Å; F94-H97 PolarHBondContact O-N 3.14Å; F94-F100 HydrophobicContact CD1-CB 4.11Å; F94-F100 HydrophobicContact CD2-CB 3.8Å; F94-F100 HydrophobicContact CD2-CD2 4.24Å; F94-F100 HydrophobicContact CD2-CG 4.14Å; F94-F100 HydrophobicContact CE1-CB 3.96Å; F94-F100 WeakPolarHBondContact CE1-O 3.49Å; F94-F100 HydrophobicContact CE2-CB 3.64Å; F94-F100 HydrophobicContact CE2-CD1 4.49Å; F94-F100 HydrophobicContact CE2-CD2 4.49Å; F94-F100 AromaticContact CE2-CG 3.99Å; F94-F100 HydrophobicContact CE2-CG 3.99Å; F94-F100 HydrophobicContact CG-CB 4.04Å; F94-F100 HydrophobicContact CZ-CB 3.72Å; F94-F100 HydrophobicContact CZ-CG 4.48Å; F94-A103 HydrophobicContact CE1-CB 4.15Å; F94-A103 HydrophobicContact CZ-CB 4.14Å; F94-M104 HydrophobicContact CD1-SD 3.82Å; F94-M104 HydrophobicContact CE1-SD 4.14Å; F94-V107 HydrophobicContact CE1-CG2 4.41Å; F94-Y264 HydrophobicContact CE2-CG 4.32Å; F94-Y264 HydrophobicContact CZ-CD2 4.06Å; F94-Y264 HydrophobicContact CZ-CG 4.18Å; F94-L267 HydrophobicContact CD2-CB 4.14Å; F94-L267 HydrophobicContact CE2-CB 4.22Å; F94-F268 HydrophobicContact CB-CD2 4.06Å; F94-F268 AromaticContact CD1-CD2 3.63Å; F94-F268 HydrophobicContact CD1-CD2 3.63Å; F94-F268 HydrophobicContact CD1-CE2 4.35Å; F94-F268 HydrophobicContact CD2-CB 4.14Å; F94-F268 HydrophobicContact CD2-CD2 4.44Å; F94-F268 HydrophobicContact CE1-CD2 4.15Å; F94-F268 HydrophobicContact CE2-CB 4.2Å; F94-F268 HydrophobicContact CG-CB 4.34Å; F94-F268 AromaticContact CG-CD2 3.8Å; F94-F268 HydrophobicContact CG-CD2 3.8Å; F94-F268 HydrophobicContact CZ-CB 4.46Å
95	C	96.2	Very high	92.7	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-60.4	-44.6	178.6	-169.8	0	0	0	0	112.6	C78 Q91 A92 R93 H97 G101 M104	C78-C95 WeakPolarHBondContact CA-SG 3.33Å; C78-C95 HydrophobicContact CB-CB 3.85Å; C78-C95 WeakPolarHBondContact CB-SG 3.27Å; C78-C95 WeakPolarHBondContact SG-CB 3.44Å; C78-C95 PolarHBondContact SG-O 3.21Å; C78-C95 VanDerWaalsContact SG-O 3.4Å; C78-C95 CovalentContact SG-SG 2.04Å; C78-C95 PolarHBondContact SG-SG 3.3Å; Q91-C95 WeakPolarHBondContact O-CB 3.43Å; Q91-C95 PolarHBondContact O-N 2.91Å; A92-C95 WeakPolarHBondContact O-CB 3.2Å; A92-C95 PolarHBondContact O-N 3.04Å; R93-C95 VanDerWaalsContact C-N 3.34Å; C95-H97 VanDerWaalsContact C-N 3.34Å; C95-G101 WeakPolarHBondContact O-CA 3.23Å; C95-M104 HydrophobicContact CB-CE 4.1Å; C95-M104 HydrophobicContact CB-CG 4.03Å; C95-M104 HydrophobicContact CB-SD 3.76Å
96	M	95	Very high	92.8	Very high	90 Å²	90	47.8 Å²	47.8	44%	0.443	21%	0.205	S	C	.	.	H	α-helix	trans	-78.1	-17.4	-178	-68.9	174.4	172	0	0	113.5	R72 C78 Q79 A92 R93 F94	R72-M96 PolarHBondContact NH2-O 3.3Å; C78-M96 HydrophobicContact CB-CE 4.05Å; C78-M96 HydrophobicContact CB-CG 3.86Å; Q79-M96 HydrophobicContact CB-CE 4.48Å; A92-M96 WeakPolarHBondContact O-CG 3.21Å; A92-M96 PolarHBondContact O-N 3.11Å; R93-M96 PolarHBondContact O-N 3.38Å; F94-M96 PolarHBondContact O-N 3.01Å
97	H	94.2	Very high	93	Very high	54 Å²	54	47.1 Å²	47.1	25%	0.25	20%	0.198	C	C	.	.	S	Bend	trans	-64	133.7	-175.6	-168.8	-77	0	0	0	112.1	R93 F94 C95 R99 F100 G101	R93-H97 WeakPolarHBondContact O-CB 3.46Å; R93-H97 PolarHBondContact O-N 2.94Å; F94-H97 WeakPolarHBondContact O-CB 3.38Å; F94-H97 PolarHBondContact O-N 3.14Å; C95-H97 VanDerWaalsContact C-N 3.34Å; H97-R99 VanDerWaalsContact C-N 3.32Å; H97-R99 PolarHBondContact ND1-N 3.05Å; H97-R99 VanDerWaalsContact ND1-N 3.12Å; H97-R99 PolarHBondContact O-N 3.19Å; H97-F100 HydrophobicContact CB-CB 4.06Å; H97-F100 HydrophobicContact CB-CD2 3.73Å; H97-F100 HydrophobicContact CB-CG 4.25Å; H97-F100 AromaticContact CD2-CD2 3.68Å; H97-F100 AromaticContact CD2-CE2 3.75Å; H97-F100 AromaticContact CE1-CD2 3.86Å; H97-F100 AromaticContact CE1-CE2 3.74Å; H97-F100 AromaticContact CG-CD2 3.34Å; H97-F100 AromaticContact CG-CE2 3.86Å; H97-F100 AromaticContact ND1-CD2 3.47Å; H97-F100 WeakPolarHBondContact ND1-CD2 3.4Å; H97-F100 AromaticContact ND1-CE2 3.85Å; H97-F100 AromaticContact ND1-CG 3.83Å; H97-F100 PolarHBondContact ND1-N 3.4Å; H97-F100 AromaticContact NE2-CD2 3.99Å; H97-F100 AromaticContact NE2-CE2 3.67Å; H97-F100 PolarHBondContact O-N 3.28Å; H97-G101 WeakPolarHBondContact O-CA 3.44Å; H97-G101 PolarHBondContact O-N 3.34Å
98	P	90.9	Very high	93.2	Very high	60 Å²	60	46.7 Å²	46.7	39%	0.39	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-39.1	-175.7	-27.5	34.7	0	0	0	114.6	Y102	P98-Y102 VanDerWaalsContact O-CD2 3.32Å; P98-Y102 WeakPolarHBondContact O-CD2 3.4Å; P98-Y102 WeakPolarHBondContact O-CE2 3.43Å
99	R	90.1	Very high	93.4	Very high	97 Å²	97	45.7 Å²	45.7	37%	0.366	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-53.8	175.6	-170.3	179.1	178.5	-165.9	-3.2	113.6	H97 G101 Y175	H97-R99 VanDerWaalsContact C-N 3.32Å; H97-R99 PolarHBondContact ND1-N 3.05Å; H97-R99 VanDerWaalsContact ND1-N 3.12Å; H97-R99 PolarHBondContact O-N 3.19Å; R99-G101 PolarHBondContact O-N 3.02Å; R99-Y175 HydrophobicContact CG-CD2 4.25Å
100	F	92	Very high	93.7	Very high	27 Å²	27	35.1 Å²	35.1	12%	0.118	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-75.7	-22.7	-172	-49.2	-44.8	0	0	0	113.7	F94 H97 Y102 A103 Y264 L267	F94-F100 HydrophobicContact CD1-CB 4.11Å; F94-F100 HydrophobicContact CD2-CB 3.8Å; F94-F100 HydrophobicContact CD2-CD2 4.24Å; F94-F100 HydrophobicContact CD2-CG 4.14Å; F94-F100 HydrophobicContact CE1-CB 3.96Å; F94-F100 WeakPolarHBondContact CE1-O 3.49Å; F94-F100 HydrophobicContact CE2-CB 3.64Å; F94-F100 HydrophobicContact CE2-CD1 4.49Å; F94-F100 HydrophobicContact CE2-CD2 4.49Å; F94-F100 AromaticContact CE2-CG 3.99Å; F94-F100 HydrophobicContact CE2-CG 3.99Å; F94-F100 HydrophobicContact CG-CB 4.04Å; F94-F100 HydrophobicContact CZ-CB 3.72Å; F94-F100 HydrophobicContact CZ-CG 4.48Å; H97-F100 HydrophobicContact CB-CB 4.06Å; H97-F100 HydrophobicContact CB-CD2 3.73Å; H97-F100 HydrophobicContact CB-CG 4.25Å; H97-F100 AromaticContact CD2-CD2 3.68Å; H97-F100 AromaticContact CD2-CE2 3.75Å; H97-F100 AromaticContact CE1-CD2 3.86Å; H97-F100 AromaticContact CE1-CE2 3.74Å; H97-F100 AromaticContact CG-CD2 3.34Å; H97-F100 AromaticContact CG-CE2 3.86Å; H97-F100 AromaticContact ND1-CD2 3.47Å; H97-F100 WeakPolarHBondContact ND1-CD2 3.4Å; H97-F100 AromaticContact ND1-CE2 3.85Å; H97-F100 AromaticContact ND1-CG 3.83Å; H97-F100 PolarHBondContact ND1-N 3.4Å; H97-F100 AromaticContact NE2-CD2 3.99Å; H97-F100 AromaticContact NE2-CE2 3.67Å; H97-F100 PolarHBondContact O-N 3.28Å; F100-Y102 PolarHBondContact O-N 2.93Å; F100-Y102 VanDerWaalsContact O-N 3.16Å; F100-A103 WeakPolarHBondContact O-CB 3.46Å; F100-A103 PolarHBondContact O-N 3.17Å; F100-Y264 HydrophobicContact CD1-CD1 4.17Å; F100-Y264 AromaticContact CD1-CE1 3.61Å; F100-Y264 HydrophobicContact CD1-CE1 3.61Å; F100-Y264 HydrophobicContact CD1-CE2 4.21Å; F100-Y264 AromaticContact CD1-CZ 3.63Å; F100-Y264 HydrophobicContact CE1-CD1 4.31Å; F100-Y264 AromaticContact CE1-CE1 3.68Å; F100-Y264 HydrophobicContact CE1-CE1 3.68Å; F100-L267 HydrophobicContact CE1-CD1 4.15Å; F100-L267 HydrophobicContact CE2-CD1 4.13Å; F100-L267 HydrophobicContact CZ-CD1 3.8Å
101	G	92.9	Very high	94.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-58.4	-26.9	178	0	0	0	0	0	113.8	C95 H97 R99 A103 M104	C95-G101 WeakPolarHBondContact O-CA 3.23Å; H97-G101 WeakPolarHBondContact O-CA 3.44Å; H97-G101 PolarHBondContact O-N 3.34Å; R99-G101 PolarHBondContact O-N 3.02Å; G101-A103 PolarHBondContact O-N 3.48Å; G101-M104 WeakPolarHBondContact O-CB 3.43Å; G101-M104 WeakPolarHBondContact O-CG 3.38Å; G101-M104 PolarHBondContact O-N 3.47Å; G101-M104 VanDerWaalsContact O-N 3.15Å
102	Y	92.8	Very high	94.1	Very high	40 Å²	40	33.8 Å²	33.8	16%	0.157	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-65.4	-20.1	173.3	-70.5	-73.6	0	0	0	113.5	R72 P98 F100 M104 R174 Y175	R72-Y102 HydrophobicContact CB-CD1 4Å; R72-Y102 HydrophobicContact CB-CE1 4.18Å; R72-Y102 HydrophobicContact CB-CG 4.41Å; R72-Y102 HydrophobicContact CG-CE1 4.49Å; P98-Y102 VanDerWaalsContact O-CD2 3.32Å; P98-Y102 WeakPolarHBondContact O-CD2 3.4Å; P98-Y102 WeakPolarHBondContact O-CE2 3.43Å; F100-Y102 PolarHBondContact O-N 2.93Å; F100-Y102 VanDerWaalsContact O-N 3.16Å; Y102-M104 VanDerWaalsContact C-N 3.34Å; Y102-R174 HydrophobicContact CD1-CB 3.97Å; Y102-R174 HydrophobicContact CD2-CB 3.85Å; Y102-R174 HydrophobicContact CE1-CB 4.2Å; Y102-R174 HydrophobicContact CE2-CB 4.07Å; Y102-R174 HydrophobicContact CG-CB 3.79Å; Y102-R174 PolarHBondContact OH-NH1 3.23Å; Y102-R174 VanDerWaalsContact OH-NH1 3.15Å; Y102-Y175 HydrophobicContact CD2-CE2 4.37Å; Y102-Y175 HydrophobicContact CE2-CE2 4Å
103	A	94.3	Very high	94.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-83.6	-8.3	175.7	0	0	0	0	0	113.3	F94 F100 G101 L105 A106 V107 I173 Y264	F94-A103 HydrophobicContact CE1-CB 4.15Å; F94-A103 HydrophobicContact CZ-CB 4.14Å; F100-A103 WeakPolarHBondContact O-CB 3.46Å; F100-A103 PolarHBondContact O-N 3.17Å; G101-A103 PolarHBondContact O-N 3.48Å; A103-L105 VanDerWaalsContact C-N 3.25Å; A103-L105 PolarHBondContact O-N 3.3Å; A103-A106 WeakPolarHBondContact O-CA 3.49Å; A103-A106 WeakPolarHBondContact O-CB 3.41Å; A103-A106 PolarHBondContact O-N 2.87Å; A103-V107 WeakPolarHBondContact O-CG2 3.35Å; A103-V107 PolarHBondContact O-N 3.37Å; A103-I173 HydrophobicContact CB-CD1 3.97Å; A103-I173 HydrophobicContact CB-CG1 4.42Å; A103-I173 HydrophobicContact CB-CG2 4.48Å; A103-Y264 HydrophobicContact CB-CD2 3.67Å; A103-Y264 HydrophobicContact CB-CE2 3.95Å
104	M	94.8	Very high	94.4	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-62.9	-28.3	-175.2	-73.2	-58.9	-53.1	0	0	113.8	F73 L87 F94 C95 G101 Y102 V107 L108 F268	F73-M104 HydrophobicContact CB-CB 4.19Å; F73-M104 HydrophobicContact CB-CG 4.49Å; F73-M104 HydrophobicContact CD1-CB 3.55Å; F73-M104 HydrophobicContact CD2-CB 3.99Å; F73-M104 HydrophobicContact CD2-CE 4.09Å; F73-M104 HydrophobicContact CD2-CG 4.46Å; F73-M104 HydrophobicContact CE1-CB 3.85Å; F73-M104 HydrophobicContact CE2-CB 4.26Å; F73-M104 HydrophobicContact CE2-CE 3.98Å; F73-M104 HydrophobicContact CG-CB 3.63Å; F73-M104 HydrophobicContact CG-CG 4.3Å; F73-M104 HydrophobicContact CZ-CB 4.2Å; L87-M104 HydrophobicContact CD1-CE 4.22Å; F94-M104 HydrophobicContact CD1-SD 3.82Å; F94-M104 HydrophobicContact CE1-SD 4.14Å; C95-M104 HydrophobicContact CB-CE 4.1Å; C95-M104 HydrophobicContact CB-CG 4.03Å; C95-M104 HydrophobicContact CB-SD 3.76Å; G101-M104 WeakPolarHBondContact O-CB 3.43Å; G101-M104 WeakPolarHBondContact O-CG 3.38Å; G101-M104 PolarHBondContact O-N 3.47Å; G101-M104 VanDerWaalsContact O-N 3.15Å; Y102-M104 VanDerWaalsContact C-N 3.34Å; M104-V107 HydrophobicContact CE-CB 4.25Å; M104-V107 HydrophobicContact CE-CG1 4.35Å; M104-V107 WeakPolarHBondContact O-CB 3.41Å; M104-V107 PolarHBondContact O-N 3.45Å; M104-V107 HydrophobicContact SD-CB 4.36Å; M104-V107 HydrophobicContact SD-CG2 4.06Å; M104-L108 PolarHBondContact O-N 2.82Å; M104-F268 HydrophobicContact CE-CE2 4.49Å; M104-F268 HydrophobicContact SD-CE2 4.22Å
105	L	93.3	Very high	94.5	Very high	7 Å²	7	26 Å²	26	4%	0.037	13%	0.125	C	C	.	.	H	α-helix	trans	-65.5	-40.4	172.2	-166.8	64.7	0	0	0	111.7	H64 A70 A103 V107 L108 R109 Y167	H64-L105 HydrophobicContact CB-CD2 4.16Å; A70-L105 HydrophobicContact CB-CB 4.04Å; A70-L105 HydrophobicContact CB-CD2 3.49Å; A70-L105 VanDerWaalsContact CB-CD2 3.49Å; A70-L105 HydrophobicContact CB-CG 4.39Å; A103-L105 VanDerWaalsContact C-N 3.25Å; A103-L105 PolarHBondContact O-N 3.3Å; L105-V107 VanDerWaalsContact C-N 3.32Å; L105-V107 PolarHBondContact O-N 2.84Å; L105-L108 HydrophobicContact CD1-CD2 4.42Å; L105-L108 PolarHBondContact O-N 3.06Å; L105-R109 WeakPolarHBondContact O-CG 3.39Å; L105-R109 PolarHBondContact O-N 2.91Å; L105-Y167 HydrophobicContact CD2-CE1 4.4Å
106	A	94.7	Very high	94.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-64.6	-37.5	173	0	0	0	0	0	111.3	A103 R109 A110 E163 I164 Y167 I173	A103-A106 WeakPolarHBondContact O-CA 3.49Å; A103-A106 WeakPolarHBondContact O-CB 3.41Å; A103-A106 PolarHBondContact O-N 2.87Å; A106-R109 PolarHBondContact O-N 3.41Å; A106-A110 WeakPolarHBondContact O-CB 3.46Å; A106-A110 PolarHBondContact O-N 3.34Å; A106-E163 HydrophobicContact CB-CB 4.15Å; A106-I164 HydrophobicContact CB-CG1 4.11Å; A106-Y167 HydrophobicContact CB-CD1 3.99Å; A106-Y167 HydrophobicContact CB-CD2 4.42Å; A106-Y167 HydrophobicContact CB-CG 3.95Å; A106-I173 HydrophobicContact CB-CD1 4.28Å
107	V	96	Very high	94.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-62.8	-43.1	173.6	-172.5	0	0	0	0	111.5	W52 I55 F94 A103 M104 L105 A110 A111 L160 F268	W52-V107 HydrophobicContact CE3-CG1 3.93Å; W52-V107 HydrophobicContact CZ3-CG1 3.66Å; I55-V107 HydrophobicContact CD1-CB 4.43Å; I55-V107 HydrophobicContact CD1-CG1 3.71Å; F94-V107 HydrophobicContact CE1-CG2 4.41Å; A103-V107 WeakPolarHBondContact O-CG2 3.35Å; A103-V107 PolarHBondContact O-N 3.37Å; M104-V107 HydrophobicContact CE-CB 4.25Å; M104-V107 HydrophobicContact CE-CG1 4.35Å; M104-V107 WeakPolarHBondContact O-CB 3.41Å; M104-V107 PolarHBondContact O-N 3.45Å; M104-V107 HydrophobicContact SD-CB 4.36Å; M104-V107 HydrophobicContact SD-CG2 4.06Å; L105-V107 VanDerWaalsContact C-N 3.32Å; L105-V107 PolarHBondContact O-N 2.84Å; V107-A110 WeakPolarHBondContact O-CB 3.34Å; V107-A110 PolarHBondContact O-N 3.41Å; V107-A111 PolarHBondContact O-N 3.49Å; V107-L160 HydrophobicContact CB-CD1 4.22Å; V107-L160 HydrophobicContact CG1-CD1 4.25Å; V107-L160 HydrophobicContact CG2-CD1 3.91Å; V107-F268 HydrophobicContact CG1-CD1 4.35Å; V107-F268 HydrophobicContact CG1-CE1 3.65Å; V107-F268 HydrophobicContact CG1-CE2 3.93Å; V107-F268 HydrophobicContact CG1-CZ 3.41Å; V107-F268 VanDerWaalsContact CG1-CZ 3.41Å
108	L	95.6	Very high	94.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-61.9	-45.8	176.3	178.5	59.8	0	0	0	111.5	I55 L58 K60 A62 F73 M104 L105 A110 A111 H112	I55-L108 HydrophobicContact CG1-CD1 4.25Å; I55-L108 WeakPolarHBondContact O-CD1 3.4Å; L58-L108 HydrophobicContact CB-CD1 4.49Å; K60-L108 HydrophobicContact CB-CD2 4.04Å; A62-L108 HydrophobicContact CB-CD2 4.37Å; A62-L108 HydrophobicContact CB-CG 4.41Å; F73-L108 HydrophobicContact CZ-CB 4.04Å; F73-L108 HydrophobicContact CZ-CD2 4.09Å; M104-L108 PolarHBondContact O-N 2.82Å; L105-L108 HydrophobicContact CD1-CD2 4.42Å; L105-L108 PolarHBondContact O-N 3.06Å; L108-A110 VanDerWaalsContact C-N 3.3Å; L108-A110 PolarHBondContact O-N 3.36Å; L108-A111 WeakPolarHBondContact O-CB 3.45Å; L108-A111 PolarHBondContact O-N 2.74Å; L108-A111 VanDerWaalsContact O-N 3.11Å; L108-H112 PolarHBondContact O-CD2 3.09Å; L108-H112 VanDerWaalsContact O-CD2 3.27Å; L108-H112 PolarHBondContact O-N 3.4Å
109	R	95.1	Very high	94.9	Very high	68 Å²	68	25.4 Å²	25.4	26%	0.257	11%	0.112	S	C	.	.	H	α-helix	trans	-60.4	-41.4	174.8	-73.2	-179.4	71	87.7	2.1	112.7	A62 D63 L105 A106 A111 H112 A113 E163 Y167	A62-R109 HydrophobicContact CB-CG 3.47Å; A62-R109 VanDerWaalsContact CB-CG 3.47Å; A62-R109 WeakPolarHBondContact O-CD 3.1Å; A62-R109 PolarHBondContact O-NH1 3.28Å; D63-R109 IonicContact OD1-NH1 2.96Å; D63-R109 PolarHBondContact OD1-NH1 2.86Å; L105-R109 WeakPolarHBondContact O-CG 3.39Å; L105-R109 PolarHBondContact O-N 2.91Å; A106-R109 PolarHBondContact O-N 3.41Å; R109-A111 VanDerWaalsContact C-N 3.25Å; R109-A111 PolarHBondContact O-N 3.07Å; R109-H112 PolarHBondContact O-N 3.45Å; R109-A113 WeakPolarHBondContact O-CB 3.22Å; R109-A113 PolarHBondContact O-N 3.23Å; R109-E163 HydrophobicContact CB-CG 4.22Å; R109-E163 IonicContact NE-OE2 2.7Å; R109-E163 PolarHBondContact NE-OE2 2.91Å; R109-Y167 WeakPolarHBondContact CD-OH 3.35Å; R109-Y167 PolarHBondContact NE-OH 2.96Å
110	A	96.8	Very high	95.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-59.5	-41.1	175.7	0	0	0	0	0	110.9	W52 A106 V107 L108 A113 V114 V159 L160 E163	W52-A110 HydrophobicContact CH2-CB 4.26Å; A106-A110 WeakPolarHBondContact O-CB 3.46Å; A106-A110 PolarHBondContact O-N 3.34Å; V107-A110 WeakPolarHBondContact O-CB 3.34Å; V107-A110 PolarHBondContact O-N 3.41Å; L108-A110 VanDerWaalsContact C-N 3.3Å; L108-A110 PolarHBondContact O-N 3.36Å; A110-A113 PolarHBondContact O-N 3.43Å; A110-V114 WeakPolarHBondContact O-CB 3.35Å; A110-V114 WeakPolarHBondContact O-CG2 3.2Å; A110-V114 PolarHBondContact O-N 3.03Å; A110-V159 HydrophobicContact CB-CG1 3.89Å; A110-L160 HydrophobicContact CB-CB 4.25Å; A110-L160 HydrophobicContact CB-CD1 3.96Å; A110-E163 HydrophobicContact CB-CB 4.34Å; A110-E163 HydrophobicContact CB-CG 3.98Å
111	A	96.3	Very high	95.4	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.008	11%	0.111	C	C	.	.	H	α-helix	trans	-62.9	-43.9	175.9	0	0	0	0	0	112.7	W52 L53 I55 V107 L108 R109 G115	W52-A111 HydrophobicContact CZ3-CB 4.04Å; L53-A111 HydrophobicContact CD2-CB 4.27Å; I55-A111 HydrophobicContact CD1-CB 4.2Å; I55-A111 HydrophobicContact CG1-CB 3.65Å; V107-A111 PolarHBondContact O-N 3.49Å; L108-A111 WeakPolarHBondContact O-CB 3.45Å; L108-A111 PolarHBondContact O-N 2.74Å; L108-A111 VanDerWaalsContact O-N 3.11Å; R109-A111 VanDerWaalsContact C-N 3.25Å; R109-A111 PolarHBondContact O-N 3.07Å; A111-G115 PolarHBondContact O-N 2.98Å
112	H	95.2	Very high	95.6	Very high	77 Å²	77	24.5 Å²	24.5	36%	0.356	11%	0.111	S	C	.	.	H	α-helix	trans	-63	-46.4	174.1	-78.1	-77.8	0	0	0	112.4	Y56 L108 R109 V114 G115 Y116	Y56-H112 PolarHBondContact O-CE1 2.9Å; Y56-H112 PolarHBondContact O-NE2 3.02Å; L108-H112 PolarHBondContact O-CD2 3.09Å; L108-H112 VanDerWaalsContact O-CD2 3.27Å; L108-H112 PolarHBondContact O-N 3.4Å; R109-H112 PolarHBondContact O-N 3.45Å; H112-V114 PolarHBondContact O-N 3.15Å; H112-G115 PolarHBondContact O-N 3.05Å; H112-Y116 PolarHBondContact O-N 2.93Å
113	A	95.7	Very high	95.7	Very high	13 Å²	13	25.8 Å²	25.8	11%	0.107	13%	0.126	C	C	.	.	H	α-helix	trans	-60.5	-43.6	178.8	0	0	0	0	0	111.5	R109 A110 Y116 H117 V159	R109-A113 WeakPolarHBondContact O-CB 3.22Å; R109-A113 PolarHBondContact O-N 3.23Å; A110-A113 PolarHBondContact O-N 3.43Å; A113-Y116 PolarHBondContact O-N 3.22Å; A113-H117 VanDerWaalsContact O-CB 3.25Å; A113-H117 WeakPolarHBondContact O-CB 3.36Å; A113-H117 PolarHBondContact O-CD2 2.88Å; A113-H117 PolarHBondContact O-N 2.84Å; A113-V159 HydrophobicContact CB-CG1 3.62Å
114	V	97	Very high	95.6	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.006	14%	0.136	C	C	.	.	H	α-helix	trans	-63.3	-44.5	174.2	176.4	0	0	0	0	110.8	L53 A110 H112 Y116 C118 I132 F155 A156 V159	L53-V114 HydrophobicContact CD1-CB 4.46Å; L53-V114 HydrophobicContact CD1-CG1 3.68Å; L53-V114 HydrophobicContact CD2-CB 4Å; L53-V114 HydrophobicContact CD2-CG1 4.09Å; L53-V114 HydrophobicContact CD2-CG2 4.09Å; A110-V114 WeakPolarHBondContact O-CB 3.35Å; A110-V114 WeakPolarHBondContact O-CG2 3.2Å; A110-V114 PolarHBondContact O-N 3.03Å; H112-V114 PolarHBondContact O-N 3.15Å; V114-Y116 PolarHBondContact O-N 3.06Å; V114-C118 HydrophobicContact CG1-CB 4.5Å; V114-C118 VanDerWaalsContact O-CB 3.3Å; V114-C118 WeakPolarHBondContact O-CB 3.42Å; V114-C118 PolarHBondContact O-N 3.43Å; V114-I132 HydrophobicContact CG1-CD1 4.36Å; V114-I132 WeakPolarHBondContact O-CD1 3.41Å; V114-F155 HydrophobicContact CG1-CD1 4.34Å; V114-F155 HydrophobicContact CG2-CD1 4.09Å; V114-A156 HydrophobicContact CG2-CB 4.24Å; V114-V159 HydrophobicContact CG2-CB 3.91Å; V114-V159 HydrophobicContact CG2-CG1 4.16Å; V114-V159 HydrophobicContact CG2-CG2 4.01Å
115	G	94.7	Very high	95.6	Very high	12 Å²	12	29.6 Å²	29.6	12%	0.124	14%	0.143	C	C	.	.	H	α-helix	trans	-56.7	-33	177.8	0	0	0	0	0	114.1	A111 H112 P119 H133	A111-G115 PolarHBondContact O-N 2.98Å; H112-G115 PolarHBondContact O-N 3.05Å; G115-P119 WeakPolarHBondContact O-CD 3.49Å; G115-P119 WeakPolarHBondContact O-CG 3.3Å; G115-H133 PolarHBondContact O-NE2 3.24Å
116	Y	95.6	Very high	95.8	Very high	144 Å²	144	33.4 Å²	33.4	57%	0.565	16%	0.157	S	C	*	.	H	α-helix	trans	-94.3	-47.6	179.8	179.2	-98.3	0	0	0	112.9	H112 A113 V114 K120	H112-Y116 PolarHBondContact O-N 2.93Å; A113-Y116 PolarHBondContact O-N 3.22Å; V114-Y116 PolarHBondContact O-N 3.06Å; Y116-K120 HydrophobicContact CE1-CD 4.14Å; Y116-K120 PolarHBondContact O-N 3.05Å
117	H	97.1	Very high	95.9	Very high	26 Å²	26	34 Å²	34	12%	0.12	16%	0.159	C	C	.	.	H	α-helix	trans	-79.8	-32.6	-171.4	-65.3	-62.9	0	0	0	113.5	A113 K120 T121 F155 I475 D476	A113-H117 VanDerWaalsContact O-CB 3.25Å; A113-H117 WeakPolarHBondContact O-CB 3.36Å; A113-H117 PolarHBondContact O-CD2 2.88Å; A113-H117 PolarHBondContact O-N 2.84Å; H117-K120 PolarHBondContact O-N 2.99Å; H117-T121 WeakPolarHBondContact O-CB 3.43Å; H117-T121 PolarHBondContact O-N 2.91Å; H117-T121 PolarHBondContact O-OG1 2.89Å; H117-F155 HydrophobicContact CB-CE1 3.99Å; H117-F155 HydrophobicContact CB-CZ 3.65Å; H117-I475 HydrophobicContact CB-CG2 3.98Å; H117-I475 VanDerWaalsContact CD2-CG2 3.42Å; H117-I475 WeakPolarHBondContact CD2-CG2 3.47Å; H117-D476 VanDerWaalsContact CE1-CB 3.41Å; H117-D476 WeakPolarHBondContact CE1-CB 3.38Å
118	C	97.3	Very high	95.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-63.5	-47.4	177.6	-172.8	0	0	0	0	111.9	V114 K120 T121 F122 C129 I132 F155	V114-C118 HydrophobicContact CG1-CB 4.5Å; V114-C118 VanDerWaalsContact O-CB 3.3Å; V114-C118 WeakPolarHBondContact O-CB 3.42Å; V114-C118 PolarHBondContact O-N 3.43Å; C118-K120 VanDerWaalsContact C-N 3.29Å; C118-K120 PolarHBondContact O-N 3.27Å; C118-T121 PolarHBondContact O-N 3.34Å; C118-F122 WeakPolarHBondContact O-CD2 3.4Å; C118-F122 PolarHBondContact O-N 3.32Å; C118-C129 HydrophobicContact CB-CB 4.05Å; C118-C129 WeakPolarHBondContact CB-SG 3.17Å; C118-C129 WeakPolarHBondContact SG-CB 3.46Å; C118-C129 CovalentContact SG-SG 2.04Å; C118-C129 PolarHBondContact SG-SG 3.16Å; C118-I132 HydrophobicContact CB-CD1 4.04Å; C118-F155 HydrophobicContact CB-CD2 4.25Å; C118-F155 HydrophobicContact CB-CE1 4.41Å; C118-F155 HydrophobicContact CB-CE2 4.15Å; C118-F155 HydrophobicContact CB-CG 4.44Å; C118-F155 HydrophobicContact CB-CZ 4.26Å
119	P	96.4	Very high	95.9	Very high	21 Å²	21	35.2 Å²	35.2	14%	0.136	17%	0.166	C	C	.	.	H	α-helix	trans	-63.4	-34.2	175	-24.3	35.6	0	0	0	114	G115 S123 N128 C129 T130 I132	G115-P119 WeakPolarHBondContact O-CD 3.49Å; G115-P119 WeakPolarHBondContact O-CG 3.3Å; P119-S123 WeakPolarHBondContact O-CA 3.42Å; P119-S123 WeakPolarHBondContact O-CB 3.48Å; P119-S123 PolarHBondContact O-N 3.08Å; P119-N128 WeakPolarHBondContact CA-O 3.2Å; P119-C129 HydrophobicContact CG-CB 4.46Å; P119-T130 HydrophobicContact CB-CG2 4.26Å; P119-I132 HydrophobicContact CG-CD1 4.03Å
120	K	95.8	Very high	96	Very high	104 Å²	104	34.5 Å²	34.5	45%	0.452	17%	0.169	S	C	.	.	H	α-helix	trans	-65.6	-44.6	174.1	-172.2	174.6	-177.2	175.5	0	111.8	Y116 H117 C118 F122 S123	Y116-K120 HydrophobicContact CE1-CD 4.14Å; Y116-K120 PolarHBondContact O-N 3.05Å; H117-K120 PolarHBondContact O-N 2.99Å; C118-K120 VanDerWaalsContact C-N 3.29Å; C118-K120 PolarHBondContact O-N 3.27Å; K120-F122 VanDerWaalsContact C-N 3.34Å; K120-F122 PolarHBondContact O-N 2.71Å; K120-S123 PolarHBondContact O-OG 2.92Å
121	T	95.8	Very high	95.8	Very high	1 Å²	1	35 Å²	35	1%	0.006	17%	0.172	C	C	.	.	H	α-helix	trans	-63.8	-39.8	178.4	-62.7	0	0	0	0	111.4	H117 C118 Q481 K485	H117-T121 WeakPolarHBondContact O-CB 3.43Å; H117-T121 PolarHBondContact O-N 2.91Å; H117-T121 PolarHBondContact O-OG1 2.89Å; C118-T121 PolarHBondContact O-N 3.34Å; T121-Q481 HydrophobicContact CG2-CB 4.38Å; T121-K485 HydrophobicContact CG2-CG 3.93Å; T121-K485 WeakPolarHBondContact O-CE 3.06Å; T121-K485 PolarHBondContact O-NZ 2.82Å; T121-K485 VanDerWaalsContact O-NZ 3.1Å
122	F	96.4	Very high	95.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	13.4	-176	-71.3	-82.8	0	0	0	114.1	C118 K120 D124 R125 W127 N128 C129 I151 Y488	C118-F122 WeakPolarHBondContact O-CD2 3.4Å; C118-F122 PolarHBondContact O-N 3.32Å; K120-F122 VanDerWaalsContact C-N 3.34Å; K120-F122 PolarHBondContact O-N 2.71Å; F122-D124 PolarHBondContact O-N 3.46Å; F122-D124 VanDerWaalsContact O-N 3.15Å; F122-R125 PolarHBondContact O-N 3.46Å; F122-R125 VanDerWaalsContact O-N 3.07Å; F122-W127 HydrophobicContact CB-CE3 4.39Å; F122-W127 HydrophobicContact CB-CZ3 4.32Å; F122-W127 HydrophobicContact CD1-CE3 4.11Å; F122-W127 AromaticContact CD1-CZ3 3.88Å; F122-W127 HydrophobicContact CD1-CZ3 3.88Å; F122-W127 AromaticContact CD2-CZ3 3.99Å; F122-W127 HydrophobicContact CD2-CZ3 3.99Å; F122-W127 HydrophobicContact CE1-CZ3 4.25Å; F122-W127 HydrophobicContact CE2-CZ3 4.35Å; F122-W127 HydrophobicContact CG-CE3 4.18Å; F122-W127 AromaticContact CG-CZ3 3.77Å; F122-W127 HydrophobicContact CG-CZ3 3.77Å; F122-N128 WeakPolarHBondContact O-CA 3.48Å; F122-C129 HydrophobicContact CB-CB 4.26Å; F122-C129 HydrophobicContact CD2-CB 4.44Å; F122-I151 HydrophobicContact CE2-CG1 3.94Å; F122-I151 HydrophobicContact CZ-CG1 3.72Å; F122-I151 HydrophobicContact CZ-CG2 4.31Å; F122-Y488 AromaticContact CE1-CD1 3.69Å; F122-Y488 HydrophobicContact CE1-CD1 3.69Å; F122-Y488 HydrophobicContact CE1-CD2 4.27Å; F122-Y488 HydrophobicContact CE1-CE1 4.06Å; F122-Y488 AromaticContact CE1-CG 3.78Å; F122-Y488 HydrophobicContact CE1-CG 3.78Å; F122-Y488 HydrophobicContact CZ-CD1 4.41Å; F122-Y488 HydrophobicContact CZ-CD2 4.49Å; F122-Y488 HydrophobicContact CZ-CG 4.08Å
123	S	95	Very high	95.7	Very high	67 Å²	67	35.2 Å²	35.2	47%	0.469	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-26.9	-174.8	63.8	0	0	0	0	113.8	P119 K120 R125 R546	P119-S123 WeakPolarHBondContact O-CA 3.42Å; P119-S123 WeakPolarHBondContact O-CB 3.48Å; P119-S123 PolarHBondContact O-N 3.08Å; K120-S123 PolarHBondContact O-OG 2.92Å; S123-R125 VanDerWaalsContact C-N 3.34Å; S123-R546 PolarHBondContact O-NH2 2.82Å
124	D	93.6	Very high	95.5	Very high	38 Å²	38	39 Å²	39	20%	0.203	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	2.3	179.6	61.9	-25.9	0	0	0	114	F122 K485 T555 S556 M561	F122-D124 PolarHBondContact O-N 3.46Å; F122-D124 VanDerWaalsContact O-N 3.15Å; D124-K485 IonicContact OD1-NZ 2.67Å; D124-K485 PolarHBondContact OD1-NZ 2.77Å; D124-K485 VanDerWaalsContact OD1-NZ 3.09Å; D124-K485 IonicContact OD2-NZ 2.74Å; D124-K485 PolarHBondContact OD2-NZ 3.09Å; D124-T555 CarbonylContact O-C 3.55Å; D124-T555 VanDerWaalsContact O-CB 3.23Å; D124-T555 WeakPolarHBondContact O-CB 3.38Å; D124-T555 PolarHBondContact O-OG1 3.48Å; D124-S556 PolarHBondContact O-N 2.72Å; D124-M561 VanDerWaalsContact C-CE 3.49Å; D124-M561 VanDerWaalsContact O-CE 3.31Å; D124-M561 WeakPolarHBondContact O-CE 3.42Å
125	R	95.3	Very high	95.4	Very high	42 Å²	42	39 Å²	39	16%	0.158	19%	0.189	C	C	.	.	S	Bend	trans	-113.8	161.7	179.6	-63.3	-160	179.2	-120.2	-4.2	112.8	F122 S123 W127 L489 R546	F122-R125 PolarHBondContact O-N 3.46Å; F122-R125 VanDerWaalsContact O-N 3.07Å; S123-R125 VanDerWaalsContact C-N 3.34Å; R125-W127 WeakPolarHBondContact CB-O 3.37Å; R125-L489 VanDerWaalsContact NH1-CD2 3.3Å; R125-R546 PolarHBondContact O-NH2 2.87Å
126	R	96.8	Very high	95.2	Very high	87 Å²	87	39.8 Å²	39.8	33%	0.328	19%	0.192	S	C	.	.	S	Bend	trans	-59.5	-47.6	176.1	-59.5	-173.7	-175.6	156.1	-1.4	111.4	C532 T543 N560 M561 C563	R126-C532 PolarHBondContact NH1-SG 3.45Å; R126-T543 HydrophobicContact CB-CG2 3.66Å; R126-T543 HydrophobicContact CG-CG2 3.81Å; R126-N560 VanDerWaalsContact CZ-O 3.31Å; R126-N560 PolarHBondContact NE-O 3.16Å; R126-N560 PolarHBondContact NH2-O 3.02Å; R126-M561 HydrophobicContact CG-SD 4.42Å; R126-C563 VanDerWaalsContact CZ-SG 3.51Å; R126-C563 PolarHBondContact NE-SG 3.4Å; R126-C563 VanDerWaalsContact NE-SG 3.42Å
127	W	96.8	Very high	95	Very high	12 Å²	12	39.3 Å²	39.3	5%	0.045	19%	0.194	C	C	.	.	S	Bend	trans	-83.7	117.5	163.5	177.7	81.6	0	0	0	109.8	F122 R125 C129 L142 E148 I151 V152 Y531	F122-W127 HydrophobicContact CB-CE3 4.39Å; F122-W127 HydrophobicContact CB-CZ3 4.32Å; F122-W127 HydrophobicContact CD1-CE3 4.11Å; F122-W127 AromaticContact CD1-CZ3 3.88Å; F122-W127 HydrophobicContact CD1-CZ3 3.88Å; F122-W127 AromaticContact CD2-CZ3 3.99Å; F122-W127 HydrophobicContact CD2-CZ3 3.99Å; F122-W127 HydrophobicContact CE1-CZ3 4.25Å; F122-W127 HydrophobicContact CE2-CZ3 4.35Å; F122-W127 HydrophobicContact CG-CE3 4.18Å; F122-W127 AromaticContact CG-CZ3 3.77Å; F122-W127 HydrophobicContact CG-CZ3 3.77Å; R125-W127 WeakPolarHBondContact CB-O 3.37Å; W127-C129 HydrophobicContact CH2-CB 3.59Å; W127-C129 VanDerWaalsContact CH2-SG 3.58Å; W127-C129 HydrophobicContact CZ2-CB 3.73Å; W127-C129 HydrophobicContact CZ3-CB 4.02Å; W127-L142 HydrophobicContact CZ2-CD2 4.38Å; W127-E148 HydrophobicContact CB-CG 4.3Å; W127-E148 HydrophobicContact CD2-CB 3.92Å; W127-E148 HydrophobicContact CD2-CG 3.34Å; W127-E148 HydrophobicContact CE3-CB 4.23Å; W127-E148 HydrophobicContact CE3-CG 3.63Å; W127-E148 HydrophobicContact CG-CG 3.66Å; W127-E148 HydrophobicContact CH2-CB 4.01Å; W127-E148 HydrophobicContact CH2-CG 4.32Å; W127-E148 HydrophobicContact CZ2-CB 3.67Å; W127-E148 HydrophobicContact CZ2-CG 4.09Å; W127-E148 HydrophobicContact CZ3-CB 4.27Å; W127-E148 HydrophobicContact CZ3-CG 4.11Å; W127-I151 HydrophobicContact CH2-CG2 3.89Å; W127-I151 HydrophobicContact CZ3-CG2 3.92Å; W127-V152 HydrophobicContact CH2-CG2 3.69Å; W127-V152 HydrophobicContact CZ2-CG2 3.82Å; W127-Y531 HydrophobicContact CB-CD1 3.98Å; W127-Y531 HydrophobicContact CB-CD2 3.88Å; W127-Y531 HydrophobicContact CB-CE1 3.91Å; W127-Y531 HydrophobicContact CB-CE2 3.77Å; W127-Y531 HydrophobicContact CB-CG 3.97Å; W127-Y531 AromaticContact CD1-CE1 3.65Å; W127-Y531 AromaticContact CD1-CZ 3.81Å; W127-Y531 HydrophobicContact CG-CE1 4.09Å; W127-Y531 HydrophobicContact CG-CE2 4.36Å; W127-Y531 AromaticContact CG-CZ 3.97Å
128	N	96	Very high	94.7	Very high	25 Å²	25	38.3 Å²	38.3	13%	0.134	19%	0.19	C	C	.	.			trans	-111.6	20	-173	66.9	-4.7	0	0	0	113.2	P119 F122 T130 R546	P119-N128 WeakPolarHBondContact CA-O 3.2Å; F122-N128 WeakPolarHBondContact O-CA 3.48Å; N128-T130 PolarHBondContact O-N 3.09Å; N128-T130 WeakPolarHBondContact OD1-CG2 3.21Å; N128-T130 PolarHBondContact OD1-N 3.36Å; N128-T130 PolarHBondContact OD1-OG1 2.79Å; N128-R546 PolarHBondContact ND2-NH1 3.17Å; N128-R546 VanDerWaalsContact ND2-NH1 3.19Å
129	C	96.6	Very high	94.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.192	C	C	.	.	S	Bend	trans	59.4	9	178.6	-159.9	0	0	0	0	116.7	C118 P119 F122 W127 S131 I132	C118-C129 HydrophobicContact CB-CB 4.05Å; C118-C129 WeakPolarHBondContact CB-SG 3.17Å; C118-C129 WeakPolarHBondContact SG-CB 3.46Å; C118-C129 CovalentContact SG-SG 2.04Å; C118-C129 PolarHBondContact SG-SG 3.16Å; P119-C129 HydrophobicContact CG-CB 4.46Å; F122-C129 HydrophobicContact CB-CB 4.26Å; F122-C129 HydrophobicContact CD2-CB 4.44Å; W127-C129 HydrophobicContact CH2-CB 3.59Å; W127-C129 VanDerWaalsContact CH2-SG 3.58Å; W127-C129 HydrophobicContact CZ2-CB 3.73Å; W127-C129 HydrophobicContact CZ3-CB 4.02Å; C129-S131 PolarHBondContact O-N 3.07Å; C129-I132 VanDerWaalsContact O-CG1 3.27Å; C129-I132 WeakPolarHBondContact O-CG1 3.45Å; C129-I132 PolarHBondContact O-N 3.12Å
130	T	95.7	Very high	94.4	Very high	53 Å²	53	38.6 Å²	38.6	33%	0.325	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-70.6	-15.4	-179.1	57.7	0	0	0	0	113.8	P119 N128 I132 H133	P119-T130 HydrophobicContact CB-CG2 4.26Å; N128-T130 PolarHBondContact O-N 3.09Å; N128-T130 WeakPolarHBondContact OD1-CG2 3.21Å; N128-T130 PolarHBondContact OD1-N 3.36Å; N128-T130 PolarHBondContact OD1-OG1 2.79Å; T130-I132 PolarHBondContact O-N 2.81Å; T130-I132 VanDerWaalsContact O-N 3.14Å; T130-H133 VanDerWaalsContact O-CB 3.28Å; T130-H133 WeakPolarHBondContact O-CB 2.99Å; T130-H133 PolarHBondContact O-N 3.13Å
131	S	93.9	Very high	94.3	Very high	11 Å²	11	33.8 Å²	33.8	8%	0.077	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-61.9	-20.9	177	57.3	0	0	0	0	113.6	C129 H133 Q134 S139 E141	C129-S131 PolarHBondContact O-N 3.07Å; S131-H133 PolarHBondContact O-N 2.81Å; S131-Q134 WeakPolarHBondContact O-CB 3.3Å; S131-Q134 PolarHBondContact O-N 3.17Å; S131-Q134 VanDerWaalsContact O-N 3.1Å; S131-S139 WeakPolarHBondContact CB-OG 3.09Å; S131-E141 WeakPolarHBondContact CB-OE1 3.33Å; S131-E141 PolarHBondContact OG-OE1 3.15Å
132	I	94.3	Very high	94.2	Very high	3 Å²	3	33.8 Å²	33.8	2%	0.015	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-62.5	-24.3	172.4	73.3	-173.1	0	0	0	112.6	V114 C118 P119 C129 T130 Q134 L135 L142 V152	V114-I132 HydrophobicContact CG1-CD1 4.36Å; V114-I132 WeakPolarHBondContact O-CD1 3.41Å; C118-I132 HydrophobicContact CB-CD1 4.04Å; P119-I132 HydrophobicContact CG-CD1 4.03Å; C129-I132 VanDerWaalsContact O-CG1 3.27Å; C129-I132 WeakPolarHBondContact O-CG1 3.45Å; C129-I132 PolarHBondContact O-N 3.12Å; T130-I132 PolarHBondContact O-N 2.81Å; T130-I132 VanDerWaalsContact O-N 3.14Å; I132-Q134 PolarHBondContact O-N 3.32Å; I132-L135 HydrophobicContact CB-CD1 4.11Å; I132-L135 WeakPolarHBondContact O-CB 3.39Å; I132-L135 WeakPolarHBondContact O-CD1 3.21Å; I132-L135 WeakPolarHBondContact O-CG 3.42Å; I132-L135 PolarHBondContact O-N 3.36Å; I132-L142 HydrophobicContact CG2-CD1 4.13Å; I132-V152 HydrophobicContact CG2-CG1 4.05Å; I132-V152 HydrophobicContact CG2-CG2 4.21Å
133	H	94.3	Very high	94	Very high	79 Å²	79	37.8 Å²	37.8	37%	0.366	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-70.1	-9.9	177.3	-58.2	156.7	0	0	0	112.6	Y56 R57 G115 T130 S131	Y56-H133 WeakPolarHBondContact OH-CA 3.43Å; Y56-H133 PolarHBondContact OH-O 3Å; R57-H133 PolarHBondContact NH2-O 2.7Å; G115-H133 PolarHBondContact O-NE2 3.24Å; T130-H133 VanDerWaalsContact O-CB 3.28Å; T130-H133 WeakPolarHBondContact O-CB 2.99Å; T130-H133 PolarHBondContact O-N 3.13Å; S131-H133 PolarHBondContact O-N 2.81Å
134	Q	92.3	Very high	93.7	Very high	94 Å²	94	36.7 Å²	36.7	44%	0.439	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-89.5	-10.4	176.5	-60	178	10.3	0	0	112.5	R57 S131 I132 H137	R57-Q134 VanDerWaalsContact NH2-C 3.26Å; R57-Q134 PolarHBondContact NH2-O 3.14Å; S131-Q134 WeakPolarHBondContact O-CB 3.3Å; S131-Q134 PolarHBondContact O-N 3.17Å; S131-Q134 VanDerWaalsContact O-N 3.1Å; I132-Q134 PolarHBondContact O-N 3.32Å; Q134-H137 CarbonylContact C-O 3.42Å; Q134-H137 VanDerWaalsContact O-CB 3.3Å; Q134-H137 WeakPolarHBondContact O-CB 3.24Å; Q134-H137 PolarHBondContact O-N 2.74Å
135	L	93.3	Very high	93.7	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	137.4	-178.4	-65.8	173	0	0	0	111.7	I50 L53 R57 I132 V138	I50-L135 HydrophobicContact CG2-CD2 4.25Å; L53-L135 HydrophobicContact CB-CD1 3.67Å; L53-L135 HydrophobicContact CD1-CD1 4.01Å; L53-L135 HydrophobicContact CG-CD1 4.4Å; R57-L135 PolarHBondContact NE-O 2.96Å; R57-L135 VanDerWaalsContact NE-O 3.13Å; R57-L135 PolarHBondContact NH1-O 2.92Å; R57-L135 PolarHBondContact NH2-O 3.09Å; R57-L135 VanDerWaalsContact NH2-O 3.17Å; I132-L135 HydrophobicContact CB-CD1 4.11Å; I132-L135 WeakPolarHBondContact O-CB 3.39Å; I132-L135 WeakPolarHBondContact O-CD1 3.21Å; I132-L135 WeakPolarHBondContact O-CG 3.42Å; I132-L135 PolarHBondContact O-N 3.36Å; L135-V138 HydrophobicContact CD2-CB 4.34Å; L135-V138 HydrophobicContact CD2-CG2 3.71Å
136	P	91.2	Very high	93.8	Very high	29 Å²	29	33.1 Å²	33.1	19%	0.188	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	cis	-84.6	3	17.8	34.6	-38.2	0	0	0	115.4	K51 V138	K51-P136 WeakPolarHBondContact CE-O 3.34Å; K51-P136 HydrophobicContact CG-CB 4.24Å; K51-P136 WeakPolarHBondContact CG-O 3.31Å; P136-V138 PolarHBondContact O-N 2.89Å
137	H	91.4	Very high	93.8	Very high	134 Å²	134	33.1 Å²	33.1	62%	0.62	16%	0.157	S	C	*	.	S	Bend	trans	-72.4	107.8	169.4	-172.9	77.1	0	0	0	109.5	Q134	Q134-H137 CarbonylContact C-O 3.42Å; Q134-H137 VanDerWaalsContact O-CB 3.3Å; Q134-H137 WeakPolarHBondContact O-CB 3.24Å; Q134-H137 PolarHBondContact O-N 2.74Å
138	V	92	Very high	93.8	Very high	5 Å²	5	32.6 Å²	32.6	3%	0.03	16%	0.155	C	C	.	.			trans	-87	117.3	-176.6	-172.6	0	0	0	0	109.5	Q48 I50 K51 L135 P136 L142 R143	Q48-V138 HydrophobicContact CB-CG2 3.96Å; Q48-V138 HydrophobicContact CG-CB 4.17Å; Q48-V138 HydrophobicContact CG-CG2 3.81Å; I50-V138 HydrophobicContact CG2-CG1 4.46Å; K51-V138 HydrophobicContact CD-CG2 4.39Å; K51-V138 HydrophobicContact CG-CG2 3.59Å; L135-V138 HydrophobicContact CD2-CB 4.34Å; L135-V138 HydrophobicContact CD2-CG2 3.71Å; P136-V138 PolarHBondContact O-N 2.89Å; V138-L142 HydrophobicContact CG1-CB 3.65Å; V138-R143 HydrophobicContact CG1-CB 4.14Å
139	S	92.9	Very high	93.8	Very high	6 Å²	6	31.5 Å²	31.5	4%	0.042	15%	0.149	C	C	.	.			trans	-65	156.2	176.3	57.1	0	0	0	0	112.1	S131 E141 L142	S131-S139 WeakPolarHBondContact CB-OG 3.09Å; S139-E141 VanDerWaalsContact C-N 3.33Å; S139-E141 WeakPolarHBondContact CB-OE1 3.49Å; S139-E141 WeakPolarHBondContact CB-OE2 3.44Å; S139-E141 PolarHBondContact O-N 2.67Å; S139-E141 PolarHBondContact OG-OE1 3.02Å; S139-E141 PolarHBondContact OG-OE2 3.17Å; S139-L142 PolarHBondContact O-N 2.86Å; S139-L142 WeakPolarHBondContact OG-CG 3.45Å
140	P	92.7	Very high	93.9	Very high	21 Å²	21	31.5 Å²	31.5	14%	0.136	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-67.1	-24.9	-168.3	-24.3	36.9	0	0	0	116.4	L142 R143 R144 P536 Q537	P140-L142 VanDerWaalsContact C-N 3.33Å; P140-R143 WeakPolarHBondContact O-CG 3.4Å; P140-R144 VanDerWaalsContact O-CG 3.29Å; P140-R144 WeakPolarHBondContact O-CG 3.28Å; P140-R144 PolarHBondContact O-NH1 3.06Å; P140-P536 WeakPolarHBondContact CG-O 3.11Å; P140-Q537 VanDerWaalsContact CB-O 3.23Å; P140-Q537 WeakPolarHBondContact CB-O 3.22Å
141	E	93.4	Very high	94	Very high	2 Å²	2	29 Å²	29	1%	0.009	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-70.3	-30.3	172.1	76.9	-70.7	176.4	0	0	111.8	S131 S139 R143 T146 E148 Y531 R538 G539	S131-E141 WeakPolarHBondContact CB-OE1 3.33Å; S131-E141 PolarHBondContact OG-OE1 3.15Å; S139-E141 VanDerWaalsContact C-N 3.33Å; S139-E141 WeakPolarHBondContact CB-OE1 3.49Å; S139-E141 WeakPolarHBondContact CB-OE2 3.44Å; S139-E141 PolarHBondContact O-N 2.67Å; S139-E141 PolarHBondContact OG-OE1 3.02Å; S139-E141 PolarHBondContact OG-OE2 3.17Å; E141-R143 VanDerWaalsContact C-N 3.32Å; E141-R143 PolarHBondContact O-N 3.21Å; E141-T146 PolarHBondContact O-OG1 3.23Å; E141-E148 HydrophobicContact CG-CB 4.41Å; E141-Y531 WeakPolarHBondContact CB-OH 3.43Å; E141-R538 PolarHBondContact N-O 3.17Å; E141-G539 VanDerWaalsContact OE2-CA 3.29Å; E141-G539 WeakPolarHBondContact OE2-CA 3.44Å
142	L	94.7	Very high	94.1	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.01	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-85.9	4.1	179.8	-60.9	-176.4	0	0	0	114.4	W127 I132 V138 S139 P140 E148 Q149 V152	W127-L142 HydrophobicContact CZ2-CD2 4.38Å; I132-L142 HydrophobicContact CG2-CD1 4.13Å; V138-L142 HydrophobicContact CG1-CB 3.65Å; S139-L142 PolarHBondContact O-N 2.86Å; S139-L142 WeakPolarHBondContact OG-CG 3.45Å; P140-L142 VanDerWaalsContact C-N 3.33Å; L142-E148 HydrophobicContact CD2-CB 4.45Å; L142-Q149 VanDerWaalsContact C-OE1 3.22Å; L142-Q149 WeakPolarHBondContact O-CG 3.18Å; L142-Q149 PolarHBondContact O-OE1 3.21Å; L142-V152 HydrophobicContact CD2-CB 4.27Å; L142-V152 HydrophobicContact CD2-CG2 3.82Å
143	R	91.3	Very high	94.3	Very high	83 Å²	83	28.4 Å²	28.4	31%	0.313	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.7	-6.7	-178.4	72.8	-176.6	-178.5	167.3	-3.5	115.4	V138 P140 E141 Q149	V138-R143 HydrophobicContact CG1-CB 4.14Å; P140-R143 WeakPolarHBondContact O-CG 3.4Å; E141-R143 VanDerWaalsContact C-N 3.32Å; E141-R143 PolarHBondContact O-N 3.21Å; R143-Q149 VanDerWaalsContact CA-OE1 3.31Å
144	R	90.3	Very high	94.4	Very high	44 Å²	44	24.7 Å²	24.7	17%	0.166	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-3.4	-168.5	-80.3	-166.1	-171.6	109.8	-1.4	115.7	P140 T146 E526 Q537	P140-R144 VanDerWaalsContact O-CG 3.29Å; P140-R144 WeakPolarHBondContact O-CG 3.28Å; P140-R144 PolarHBondContact O-NH1 3.06Å; R144-T146 HydrophobicContact CB-CG2 4.28Å; R144-E526 WeakPolarHBondContact CB-OE2 3.34Å; R144-E526 WeakPolarHBondContact CD-OE2 3.3Å; R144-E526 WeakPolarHBondContact O-CB 3.34Å; R144-Q537 PolarHBondContact NH1-O 3.19Å; R144-Q537 PolarHBondContact NH2-O 3.25Å
145	G	93.4	Very high	94.7	Very high	3 Å²	3	20.2 Å²	20.2	3%	0.031	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	81	40.8	-175.8	0	0	0	0	0	111.7	F524 S525 E526	G145-F524 WeakPolarHBondContact O-CB 3.29Å; G145-S525 PolarHBondContact O-N 3.1Å; G145-E526 PolarHBondContact O-N 2.82Å
146	T	96.2	Very high	94.9	Very high	2 Å²	2	20.2 Å²	20.2	1%	0.012	9%	0.092	C	C	.	.			trans	-84.8	171.3	173.6	78.4	0	0	0	0	111.7	E141 R144 E148 Q149 A150 E526	E141-T146 PolarHBondContact O-OG1 3.23Å; R144-T146 HydrophobicContact CB-CG2 4.28Å; T146-E148 VanDerWaalsContact CB-OE2 3.27Å; T146-E148 WeakPolarHBondContact CB-OE2 3.47Å; T146-E148 PolarHBondContact O-N 2.97Å; T146-E148 PolarHBondContact OG1-N 3.14Å; T146-E148 PolarHBondContact OG1-OE2 3.43Å; T146-Q149 WeakPolarHBondContact O-CB 3.27Å; T146-Q149 PolarHBondContact O-N 2.62Å; T146-Q149 PolarHBondContact OG1-N 3.46Å; T146-A150 PolarHBondContact O-N 3.07Å; T146-E526 WeakPolarHBondContact CA-O 3.44Å
147	R	97	Very high	95.2	Very high	87 Å²	87	18.9 Å²	18.9	33%	0.328	8%	0.083	S	C	.	.	H	α-helix	trans	-60.5	-35	173.1	-70.9	-175.4	-69.6	-172.8	-4.5	112.5	A150 I151 Y488 A491 F524 S528	R147-A150 WeakPolarHBondContact O-CB 3.27Å; R147-A150 PolarHBondContact O-N 2.97Å; R147-I151 WeakPolarHBondContact O-CG2 3.4Å; R147-I151 PolarHBondContact O-N 2.85Å; R147-Y488 HydrophobicContact CB-CD2 4.29Å; R147-Y488 HydrophobicContact CB-CE2 3.79Å; R147-A491 HydrophobicContact CG-CB 4.15Å; R147-F524 HydrophobicContact CG-CB 4.23Å; R147-F524 HydrophobicContact CG-CD1 3.32Å; R147-F524 HydrophobicContact CG-CD2 4.06Å; R147-F524 HydrophobicContact CG-CE1 3.5Å; R147-F524 VanDerWaalsContact CG-CE1 3.5Å; R147-F524 HydrophobicContact CG-CE2 4.22Å; R147-F524 HydrophobicContact CG-CG 3.6Å; R147-F524 HydrophobicContact CG-CZ 3.95Å; R147-S528 PolarHBondContact NE-OG 2.88Å
148	E	97.1	Very high	95.5	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.005	5%	0.053	C	C	.	.	H	α-helix	trans	-66.9	-41.7	178	-61.8	76.8	-142.6	0	0	110.6	W127 E141 L142 T146 A150 I151 V152 Y488 S528 Y531	W127-E148 HydrophobicContact CB-CG 4.3Å; W127-E148 HydrophobicContact CD2-CB 3.92Å; W127-E148 HydrophobicContact CD2-CG 3.34Å; W127-E148 HydrophobicContact CE3-CB 4.23Å; W127-E148 HydrophobicContact CE3-CG 3.63Å; W127-E148 HydrophobicContact CG-CG 3.66Å; W127-E148 HydrophobicContact CH2-CB 4.01Å; W127-E148 HydrophobicContact CH2-CG 4.32Å; W127-E148 HydrophobicContact CZ2-CB 3.67Å; W127-E148 HydrophobicContact CZ2-CG 4.09Å; W127-E148 HydrophobicContact CZ3-CB 4.27Å; W127-E148 HydrophobicContact CZ3-CG 4.11Å; E141-E148 HydrophobicContact CG-CB 4.41Å; L142-E148 HydrophobicContact CD2-CB 4.45Å; T146-E148 VanDerWaalsContact CB-OE2 3.27Å; T146-E148 WeakPolarHBondContact CB-OE2 3.47Å; T146-E148 PolarHBondContact O-N 2.97Å; T146-E148 PolarHBondContact OG1-N 3.14Å; T146-E148 PolarHBondContact OG1-OE2 3.43Å; E148-A150 VanDerWaalsContact C-N 3.33Å; E148-A150 PolarHBondContact O-N 2.59Å; E148-I151 WeakPolarHBondContact O-CG2 3.43Å; E148-V152 VanDerWaalsContact O-CG2 3.23Å; E148-V152 WeakPolarHBondContact O-CG2 3.26Å; E148-V152 PolarHBondContact O-N 3.23Å; E148-V152 VanDerWaalsContact O-N 3.07Å; E148-Y488 HydrophobicContact CG-CE2 4.4Å; E148-Y488 PolarHBondContact OE1-OH 2.84Å; E148-S528 VanDerWaalsContact CD-OG 3.3Å; E148-S528 VanDerWaalsContact OE1-CB 3.27Å; E148-S528 WeakPolarHBondContact OE1-CB 3.29Å; E148-S528 PolarHBondContact OE1-OG 3.34Å; E148-S528 PolarHBondContact OE2-OG 2.58Å; E148-S528 VanDerWaalsContact OE2-OG 3.13Å; E148-Y531 HydrophobicContact CG-CE2 4.23Å; E148-Y531 VanDerWaalsContact CG-OH 3.28Å; E148-Y531 WeakPolarHBondContact CG-OH 3.33Å; E148-Y531 PolarHBondContact OE2-OH 3.2Å
149	Q	96.6	Very high	95.8	Very high	2 Å²	2	12.3 Å²	12.3	1%	0.009	5%	0.052	C	C	.	.	H	α-helix	trans	-59.6	-45.4	171	-175.2	172.8	-16.4	0	0	111.7	L142 R143 T146 V152 H153 N435	L142-Q149 VanDerWaalsContact C-OE1 3.22Å; L142-Q149 WeakPolarHBondContact O-CG 3.18Å; L142-Q149 PolarHBondContact O-OE1 3.21Å; R143-Q149 VanDerWaalsContact CA-OE1 3.31Å; T146-Q149 WeakPolarHBondContact O-CB 3.27Å; T146-Q149 PolarHBondContact O-N 2.62Å; T146-Q149 PolarHBondContact OG1-N 3.46Å; Q149-V152 PolarHBondContact O-N 3.23Å; Q149-H153 PolarHBondContact O-N 2.92Å; Q149-H153 VanDerWaalsContact O-N 3.1Å; Q149-H153 PolarHBondContact O-ND1 3.24Å; Q149-N435 PolarHBondContact NE2-ND2 3.06Å; Q149-N435 PolarHBondContact NE2-OD1 3.09Å
150	A	97.5	Very high	96	Very high	1 Å²	1	12 Å²	12	1%	0.008	5%	0.05	C	C	.	.	H	α-helix	trans	-59.2	-50.5	-178.2	0	0	0	0	0	112	T146 R147 E148 V152 H153 A154 N438 V523	T146-A150 PolarHBondContact O-N 3.07Å; R147-A150 WeakPolarHBondContact O-CB 3.27Å; R147-A150 PolarHBondContact O-N 2.97Å; E148-A150 VanDerWaalsContact C-N 3.33Å; E148-A150 PolarHBondContact O-N 2.59Å; A150-V152 PolarHBondContact O-N 3.42Å; A150-H153 PolarHBondContact O-N 2.78Å; A150-A154 PolarHBondContact O-N 3.39Å; A150-A154 VanDerWaalsContact O-N 3.07Å; A150-N438 WeakPolarHBondContact CA-ND2 3.04Å; A150-N438 VanDerWaalsContact CB-ND2 3.3Å; A150-N438 WeakPolarHBondContact CB-ND2 3.28Å; A150-V523 VanDerWaalsContact CB-O 3.31Å; A150-V523 WeakPolarHBondContact CB-O 3.4Å
151	I	97.6	Very high	96.2	Very high	0 Å²	0	11 Å²	11	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-67.5	-37.1	179.9	-170.3	63.3	0	0	0	112.3	F122 W127 R147 E148 H153 A154 F155 L484 Y488 L522	F122-I151 HydrophobicContact CE2-CG1 3.94Å; F122-I151 HydrophobicContact CZ-CG1 3.72Å; F122-I151 HydrophobicContact CZ-CG2 4.31Å; W127-I151 HydrophobicContact CH2-CG2 3.89Å; W127-I151 HydrophobicContact CZ3-CG2 3.92Å; R147-I151 WeakPolarHBondContact O-CG2 3.4Å; R147-I151 PolarHBondContact O-N 2.85Å; E148-I151 WeakPolarHBondContact O-CG2 3.43Å; I151-H153 VanDerWaalsContact C-N 3.29Å; I151-H153 PolarHBondContact O-N 3.45Å; I151-A154 PolarHBondContact O-N 3.29Å; I151-F155 WeakPolarHBondContact O-CB 3.47Å; I151-F155 PolarHBondContact O-N 3.15Å; I151-L484 HydrophobicContact CD1-CB 4.44Å; I151-L484 HydrophobicContact CD1-CD2 3.94Å; I151-Y488 HydrophobicContact CB-CD2 3.82Å; I151-Y488 HydrophobicContact CB-CG 4.48Å; I151-Y488 HydrophobicContact CG1-CD2 4.38Å; I151-Y488 HydrophobicContact CG2-CD2 3.61Å; I151-Y488 HydrophobicContact CG2-CE2 4.08Å; I151-L522 HydrophobicContact CB-CD1 4.27Å; I151-L522 HydrophobicContact CD1-CD1 3.62Å
152	V	97.7	Very high	96.4	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-63.7	-38	177.4	175.1	0	0	0	0	111	I50 L53 W127 I132 L142 E148 Q149 A150 A156	I50-V152 HydrophobicContact CD1-CG1 3.92Å; I50-V152 HydrophobicContact CG1-CG1 3.68Å; L53-V152 HydrophobicContact CD1-CG1 4.31Å; W127-V152 HydrophobicContact CH2-CG2 3.69Å; W127-V152 HydrophobicContact CZ2-CG2 3.82Å; I132-V152 HydrophobicContact CG2-CG1 4.05Å; I132-V152 HydrophobicContact CG2-CG2 4.21Å; L142-V152 HydrophobicContact CD2-CB 4.27Å; L142-V152 HydrophobicContact CD2-CG2 3.82Å; E148-V152 VanDerWaalsContact O-CG2 3.23Å; E148-V152 WeakPolarHBondContact O-CG2 3.26Å; E148-V152 PolarHBondContact O-N 3.23Å; E148-V152 VanDerWaalsContact O-N 3.07Å; Q149-V152 PolarHBondContact O-N 3.23Å; A150-V152 PolarHBondContact O-N 3.42Å; V152-A156 WeakPolarHBondContact O-CB 3.48Å; V152-A156 PolarHBondContact O-N 2.93Å
153	H	97.3	Very high	96.5	Very high	2 Å²	2	12.7 Å²	12.7	1%	0.009	5%	0.051	C	C	.	.	H	α-helix	trans	-64.4	-49	174.6	-74.9	66.3	0	0	0	111.1	Q149 A150 I151 F155 A156 S157 N435 N438 Y439	Q149-H153 PolarHBondContact O-N 2.92Å; Q149-H153 VanDerWaalsContact O-N 3.1Å; Q149-H153 PolarHBondContact O-ND1 3.24Å; A150-H153 PolarHBondContact O-N 2.78Å; I151-H153 VanDerWaalsContact C-N 3.29Å; I151-H153 PolarHBondContact O-N 3.45Å; H153-F155 PolarHBondContact O-N 3.33Å; H153-A156 PolarHBondContact O-N 3.26Å; H153-S157 PolarHBondContact O-N 3.13Å; H153-S157 PolarHBondContact O-OG 3.21Å; H153-N435 PolarHBondContact CE1-OD1 3.04Å; H153-N435 PolarHBondContact NE2-OD1 3.1Å; H153-N438 HydrophobicContact CB-CB 3.91Å; H153-Y439 HydrophobicContact CB-CD1 3.85Å; H153-Y439 HydrophobicContact CB-CE1 3.74Å; H153-Y439 HydrophobicContact CB-CG 4.48Å; H153-Y439 AromaticContact CD2-CE1 3.6Å; H153-Y439 AromaticContact CD2-CE2 3.57Å; H153-Y439 AromaticContact CD2-CZ 3.21Å; H153-Y439 PolarHBondContact CD2-OH 3.37Å; H153-Y439 VanDerWaalsContact CD2-OH 3.28Å; H153-Y439 AromaticContact CG-CE1 3.91Å; H153-Y439 AromaticContact CG-CZ 3.99Å; H153-Y439 WeakPolarHBondContact O-CD1 3.49Å; H153-Y439 WeakPolarHBondContact O-CE1 3.39Å
154	A	97.6	Very high	96.7	Very high	1 Å²	1	8.7 Å²	8.7	1%	0.008	4%	0.036	C	C	.	.	H	α-helix	trans	-62.1	-44.5	178.7	0	0	0	0	0	112.7	A150 I151 A156 S157 S158 N438 G442 L522	A150-A154 PolarHBondContact O-N 3.39Å; A150-A154 VanDerWaalsContact O-N 3.07Å; I151-A154 PolarHBondContact O-N 3.29Å; A154-A156 VanDerWaalsContact C-N 3.31Å; A154-A156 PolarHBondContact O-N 2.78Å; A154-S157 PolarHBondContact O-N 3.12Å; A154-S157 PolarHBondContact O-OG 2.85Å; A154-S157 VanDerWaalsContact O-OG 3.07Å; A154-S158 WeakPolarHBondContact O-CB 3.14Å; A154-S158 PolarHBondContact O-N 3.43Å; A154-S158 PolarHBondContact O-OG 3.43Å; A154-N438 VanDerWaalsContact CA-O 3.24Å; A154-N438 WeakPolarHBondContact CA-O 3.19Å; A154-N438 WeakPolarHBondContact CB-O 3.4Å; A154-G442 WeakPolarHBondContact O-CA 3.31Å; A154-L522 HydrophobicContact CB-CD1 4.42Å; A154-L522 HydrophobicContact CB-CD2 3.46Å; A154-L522 VanDerWaalsContact CB-CD2 3.46Å
155	F	97.5	Very high	96.9	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-58.2	-46.2	176	-157.9	-62.5	0	0	0	110.4	V114 H117 C118 I151 H153 S158 V159 I475 L484	V114-F155 HydrophobicContact CG1-CD1 4.34Å; V114-F155 HydrophobicContact CG2-CD1 4.09Å; H117-F155 HydrophobicContact CB-CE1 3.99Å; H117-F155 HydrophobicContact CB-CZ 3.65Å; C118-F155 HydrophobicContact CB-CD2 4.25Å; C118-F155 HydrophobicContact CB-CE1 4.41Å; C118-F155 HydrophobicContact CB-CE2 4.15Å; C118-F155 HydrophobicContact CB-CG 4.44Å; C118-F155 HydrophobicContact CB-CZ 4.26Å; I151-F155 WeakPolarHBondContact O-CB 3.47Å; I151-F155 PolarHBondContact O-N 3.15Å; H153-F155 PolarHBondContact O-N 3.33Å; F155-S158 PolarHBondContact O-N 3.26Å; F155-V159 HydrophobicContact CD1-CG2 3.69Å; F155-V159 HydrophobicContact CE1-CG2 3.66Å; F155-V159 VanDerWaalsContact O-CG2 3.3Å; F155-V159 WeakPolarHBondContact O-CG2 3.4Å; F155-V159 PolarHBondContact O-N 2.95Å; F155-I475 HydrophobicContact CD1-CG1 4.38Å; F155-I475 HydrophobicContact CE1-CD1 4.46Å; F155-I475 HydrophobicContact CE1-CG1 3.65Å; F155-I475 HydrophobicContact CE2-CG1 4.46Å; F155-I475 HydrophobicContact CZ-CG1 3.68Å; F155-L484 HydrophobicContact CD2-CD1 3.58Å; F155-L484 HydrophobicContact CD2-CD2 4.13Å; F155-L484 HydrophobicContact CD2-CG 4.4Å; F155-L484 HydrophobicContact CE2-CD1 3.46Å; F155-L484 VanDerWaalsContact CE2-CD1 3.46Å; F155-L484 HydrophobicContact CG-CD1 4.32Å; F155-L484 HydrophobicContact CZ-CD1 4.11Å
156	A	97.7	Very high	97	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-65.3	-40.6	-178.9	0	0	0	0	0	113.1	I50 W52 L53 V114 V152 H153 A154 L160	I50-A156 HydrophobicContact CD1-CB 3.73Å; W52-A156 HydrophobicContact CZ2-CB 3.93Å; L53-A156 HydrophobicContact CD1-CB 4.39Å; L53-A156 HydrophobicContact CD2-CB 4.22Å; V114-A156 HydrophobicContact CG2-CB 4.24Å; V152-A156 WeakPolarHBondContact O-CB 3.48Å; V152-A156 PolarHBondContact O-N 2.93Å; H153-A156 PolarHBondContact O-N 3.26Å; A154-A156 VanDerWaalsContact C-N 3.31Å; A154-A156 PolarHBondContact O-N 2.78Å; A156-L160 VanDerWaalsContact O-CB 3.23Å; A156-L160 WeakPolarHBondContact O-CB 3.31Å; A156-L160 PolarHBondContact O-N 3.38Å
157	S	97.2	Very high	96.9	Very high	0 Å²	0	10 Å²	10	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-72.3	-36.6	174.9	57.8	0	0	0	0	113	H153 A154 L160 L161 Y439 G442	H153-S157 PolarHBondContact O-N 3.13Å; H153-S157 PolarHBondContact O-OG 3.21Å; A154-S157 PolarHBondContact O-N 3.12Å; A154-S157 PolarHBondContact O-OG 2.85Å; A154-S157 VanDerWaalsContact O-OG 3.07Å; S157-L160 PolarHBondContact O-N 3.47Å; S157-L161 WeakPolarHBondContact O-CB 3.25Å; S157-L161 PolarHBondContact O-N 3.28Å; S157-Y439 VanDerWaalsContact CB-O 3.26Å; S157-Y439 WeakPolarHBondContact CB-O 3.36Å; S157-Y439 WeakPolarHBondContact OG-CA 3.06Å; S157-Y439 PolarHBondContact OG-O 3.48Å; S157-G442 WeakPolarHBondContact OG-CA 3.4Å
158	S	97.4	Very high	96.7	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-58	-50.8	173.8	-64.9	0	0	0	0	111	A154 F155 L161 F162 G442 M446	A154-S158 WeakPolarHBondContact O-CB 3.14Å; A154-S158 PolarHBondContact O-N 3.43Å; A154-S158 PolarHBondContact O-OG 3.43Å; F155-S158 PolarHBondContact O-N 3.26Å; S158-L161 PolarHBondContact O-N 3.02Å; S158-F162 PolarHBondContact O-N 3.01Å; S158-G442 VanDerWaalsContact OG-CA 3.25Å; S158-G442 WeakPolarHBondContact OG-CA 3.31Å; S158-G442 PolarHBondContact OG-O 3.07Å; S158-M446 WeakPolarHBondContact O-CE 3.39Å
159	V	98	Very high	96.5	Very high	1 Å²	1	6.5 Å²	6.5	1%	0.006	3%	0.03	C	C	.	.	H	α-helix	trans	-66.4	-41	-180	176.9	0	0	0	0	111.1	A110 A113 V114 F155 L161 F162 E163 I475	A110-V159 HydrophobicContact CB-CG1 3.89Å; A113-V159 HydrophobicContact CB-CG1 3.62Å; V114-V159 HydrophobicContact CG2-CB 3.91Å; V114-V159 HydrophobicContact CG2-CG1 4.16Å; V114-V159 HydrophobicContact CG2-CG2 4.01Å; F155-V159 HydrophobicContact CD1-CG2 3.69Å; F155-V159 HydrophobicContact CE1-CG2 3.66Å; F155-V159 VanDerWaalsContact O-CG2 3.3Å; F155-V159 WeakPolarHBondContact O-CG2 3.4Å; F155-V159 PolarHBondContact O-N 2.95Å; V159-L161 VanDerWaalsContact C-N 3.34Å; V159-L161 PolarHBondContact O-N 3.48Å; V159-F162 WeakPolarHBondContact O-CB 3.3Å; V159-F162 PolarHBondContact O-N 2.89Å; V159-E163 HydrophobicContact CG1-CG 4.25Å; V159-E163 WeakPolarHBondContact O-CG 3.2Å; V159-E163 PolarHBondContact O-N 3.41Å; V159-I475 HydrophobicContact CG2-CB 4Å; V159-I475 HydrophobicContact CG2-CD1 4Å; V159-I475 HydrophobicContact CG2-CG1 3.67Å; V159-I475 HydrophobicContact CG2-CG2 4.1Å
160	L	97.7	Very high	96.3	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-61.9	-42.5	177.3	-176.1	59	0	0	0	112	W52 V107 A110 A156 S157 F162 E163 I164 T265 F268 L269	W52-L160 HydrophobicContact CH2-CD2 4.46Å; W52-L160 HydrophobicContact CZ2-CD2 4.48Å; V107-L160 HydrophobicContact CB-CD1 4.22Å; V107-L160 HydrophobicContact CG1-CD1 4.25Å; V107-L160 HydrophobicContact CG2-CD1 3.91Å; A110-L160 HydrophobicContact CB-CB 4.25Å; A110-L160 HydrophobicContact CB-CD1 3.96Å; A156-L160 VanDerWaalsContact O-CB 3.23Å; A156-L160 WeakPolarHBondContact O-CB 3.31Å; A156-L160 PolarHBondContact O-N 3.38Å; S157-L160 PolarHBondContact O-N 3.47Å; L160-F162 VanDerWaalsContact C-N 3.34Å; L160-F162 PolarHBondContact O-N 2.86Å; L160-E163 PolarHBondContact O-N 2.94Å; L160-I164 HydrophobicContact CD1-CD1 3.71Å; L160-I164 HydrophobicContact CD1-CG1 4.11Å; L160-I164 HydrophobicContact CG-CD1 3.88Å; L160-I164 WeakPolarHBondContact O-CG1 3.42Å; L160-I164 PolarHBondContact O-N 2.91Å; L160-T265 HydrophobicContact CB-CG2 4.32Å; L160-T265 HydrophobicContact CD2-CG2 4.07Å; L160-T265 HydrophobicContact CG-CG2 4.19Å; L160-F268 HydrophobicContact CD2-CB 4.44Å; L160-F268 HydrophobicContact CD2-CD1 3.62Å; L160-F268 HydrophobicContact CD2-CE1 4.32Å; L160-F268 HydrophobicContact CD2-CG 4.36Å; L160-L269 HydrophobicContact CD2-CD1 3.85Å; L160-L269 HydrophobicContact CD2-CD2 4.15Å; L160-L269 HydrophobicContact CD2-CG 3.82Å
161	L	97.2	Very high	96	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-59.6	-46.2	174.2	-172.8	80	0	0	0	111.1	S157 S158 V159 G165 A261 K262 V443 M446	S157-L161 WeakPolarHBondContact O-CB 3.25Å; S157-L161 PolarHBondContact O-N 3.28Å; S158-L161 PolarHBondContact O-N 3.02Å; V159-L161 VanDerWaalsContact C-N 3.34Å; V159-L161 PolarHBondContact O-N 3.48Å; L161-G165 PolarHBondContact O-N 3.06Å; L161-A261 VanDerWaalsContact CD1-C 3.5Å; L161-A261 HydrophobicContact CD1-CB 3.64Å; L161-A261 HydrophobicContact CG-CB 4.2Å; L161-K262 HydrophobicContact CD1-CB 4.36Å; L161-K262 HydrophobicContact CD1-CG 3.76Å; L161-V443 HydrophobicContact CD1-CG1 4.17Å; L161-V443 HydrophobicContact CD1-CG2 4.44Å; L161-V443 HydrophobicContact CD2-CB 4.44Å; L161-V443 HydrophobicContact CD2-CG1 3.95Å; L161-M446 HydrophobicContact CD2-CB 3.89Å; L161-M446 HydrophobicContact CD2-CG 3.81Å
162	F	97.4	Very high	95.7	Very high	21 Å²	21	16 Å²	16	9%	0.092	8%	0.079	C	C	.	.	H	α-helix	trans	-58.6	-53.9	177.1	173	-89.2	0	0	0	112.1	S158 V159 L160 I164 G165 R166 M446 L472 R473 R474	S158-F162 PolarHBondContact O-N 3.01Å; V159-F162 WeakPolarHBondContact O-CB 3.3Å; V159-F162 PolarHBondContact O-N 2.89Å; L160-F162 VanDerWaalsContact C-N 3.34Å; L160-F162 PolarHBondContact O-N 2.86Å; F162-I164 PolarHBondContact O-N 2.76Å; F162-G165 PolarHBondContact O-N 3.4Å; F162-R166 HydrophobicContact CZ-CB 4.46Å; F162-R166 HydrophobicContact CZ-CG 4.37Å; F162-R166 WeakPolarHBondContact O-CB 3.41Å; F162-R166 PolarHBondContact O-N 2.85Å; F162-M446 HydrophobicContact CB-CE 3.8Å; F162-M446 HydrophobicContact CB-SD 4.25Å; F162-M446 HydrophobicContact CG-CE 4.48Å; F162-L472 HydrophobicContact CB-CD1 4.44Å; F162-L472 HydrophobicContact CD2-CB 3.69Å; F162-L472 HydrophobicContact CE2-CB 4.21Å; F162-R473 WeakPolarHBondContact CD2-O 3.26Å; F162-R474 HydrophobicContact CE1-CG 4.39Å; F162-R474 HydrophobicContact CE2-CB 4.36Å; F162-R474 HydrophobicContact CE2-CG 3.92Å; F162-R474 HydrophobicContact CZ-CB 4.24Å; F162-R474 HydrophobicContact CZ-CG 3.54Å
163	E	96.5	Very high	95.4	Very high	18 Å²	18	16 Å²	16	8%	0.084	8%	0.079	C	C	.	.	H	α-helix	trans	-62.1	-44.9	-176.9	-69	-65.2	149.5	0	0	111.1	A106 R109 A110 V159 L160 Y167	A106-E163 HydrophobicContact CB-CB 4.15Å; R109-E163 HydrophobicContact CB-CG 4.22Å; R109-E163 IonicContact NE-OE2 2.7Å; R109-E163 PolarHBondContact NE-OE2 2.91Å; A110-E163 HydrophobicContact CB-CB 4.34Å; A110-E163 HydrophobicContact CB-CG 3.98Å; V159-E163 HydrophobicContact CG1-CG 4.25Å; V159-E163 WeakPolarHBondContact O-CG 3.2Å; V159-E163 PolarHBondContact O-N 3.41Å; L160-E163 PolarHBondContact O-N 2.94Å; E163-Y167 WeakPolarHBondContact O-CB 3.18Å; E163-Y167 WeakPolarHBondContact O-CD2 3.39Å; E163-Y167 PolarHBondContact O-N 3.36Å; E163-Y167 WeakPolarHBondContact OE2-CE2 3.34Å
164	I	95.6	Very high	95.1	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-65.7	-49.9	179.2	-64	171.9	0	0	0	111.1	A106 L160 F162 R166 Y167 C168 I173 A261 Y264	A106-I164 HydrophobicContact CB-CG1 4.11Å; L160-I164 HydrophobicContact CD1-CD1 3.71Å; L160-I164 HydrophobicContact CD1-CG1 4.11Å; L160-I164 HydrophobicContact CG-CD1 3.88Å; L160-I164 WeakPolarHBondContact O-CG1 3.42Å; L160-I164 PolarHBondContact O-N 2.91Å; F162-I164 PolarHBondContact O-N 2.76Å; I164-R166 VanDerWaalsContact C-N 3.29Å; I164-R166 PolarHBondContact O-N 3.35Å; I164-Y167 PolarHBondContact O-N 3.02Å; I164-C168 WeakPolarHBondContact O-CB 3.44Å; I164-C168 PolarHBondContact O-N 2.92Å; I164-C168 PolarHBondContact O-SG 2.82Å; I164-C168 VanDerWaalsContact O-SG 3.32Å; I164-I173 HydrophobicContact CG2-CD1 4.02Å; I164-A261 HydrophobicContact CB-CB 4.29Å; I164-A261 HydrophobicContact CG2-CB 4.14Å; I164-Y264 HydrophobicContact CG2-CD2 4.07Å; I164-Y264 HydrophobicContact CG2-CG 4.4Å
165	G	95.2	Very high	94.5	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-61.5	-39.7	-178.2	0	0	0	0	0	112.3	L161 F162 C168 A169 N257	L161-G165 PolarHBondContact O-N 3.06Å; F162-G165 PolarHBondContact O-N 3.4Å; G165-C168 WeakPolarHBondContact O-CB 3.25Å; G165-A169 PolarHBondContact O-N 3.4Å; G165-N257 PolarHBondContact O-N 3.45Å
166	R	94.4	Very high	94.1	Very high	66 Å²	66	28.4 Å²	28.4	25%	0.249	13%	0.128	C	C	.	.	H	α-helix	trans	-70.6	-42.5	177.3	-172.5	59.4	179	154.3	5.4	112.1	F162 I164 C168 A169 L170 D256	F162-R166 HydrophobicContact CZ-CB 4.46Å; F162-R166 HydrophobicContact CZ-CG 4.37Å; F162-R166 WeakPolarHBondContact O-CB 3.41Å; F162-R166 PolarHBondContact O-N 2.85Å; I164-R166 VanDerWaalsContact C-N 3.29Å; I164-R166 PolarHBondContact O-N 3.35Å; R166-C168 VanDerWaalsContact C-N 3.28Å; R166-C168 PolarHBondContact O-N 3.31Å; R166-A169 PolarHBondContact O-N 3.44Å; R166-L170 HydrophobicContact CG-CD1 4.03Å; R166-L170 VanDerWaalsContact O-CG 3.29Å; R166-L170 WeakPolarHBondContact O-CG 3.25Å; R166-L170 PolarHBondContact O-N 3.49Å; R166-D256 WeakPolarHBondContact CD-OD1 3.4Å; R166-D256 IonicContact NH1-OD1 3.24Å; R166-D256 PolarHBondContact NH1-OD1 2.9Å
167	Y	93.9	Very high	93.8	Very high	10 Å²	10	31.8 Å²	31.8	4%	0.039	15%	0.152	C	C	.	.	H	α-helix	trans	-64.1	-35.3	177.9	-91.9	-123.4	0	0	0	112.4	H64 L105 A106 R109 E163 I164 L170 N171 K172	H64-Y167 AromaticContact CE1-CE1 3.72Å; H64-Y167 AromaticContact CE1-CZ 3.63Å; H64-Y167 PolarHBondContact CE1-OH 2.67Å; H64-Y167 PolarHBondContact ND1-OH 2.85Å; L105-Y167 HydrophobicContact CD2-CE1 4.4Å; A106-Y167 HydrophobicContact CB-CD1 3.99Å; A106-Y167 HydrophobicContact CB-CD2 4.42Å; A106-Y167 HydrophobicContact CB-CG 3.95Å; R109-Y167 WeakPolarHBondContact CD-OH 3.35Å; R109-Y167 PolarHBondContact NE-OH 2.96Å; E163-Y167 WeakPolarHBondContact O-CB 3.18Å; E163-Y167 WeakPolarHBondContact O-CD2 3.39Å; E163-Y167 PolarHBondContact O-N 3.36Å; E163-Y167 WeakPolarHBondContact OE2-CE2 3.34Å; I164-Y167 PolarHBondContact O-N 3.02Å; Y167-L170 CarbonylContact O-C 3.53Å; Y167-L170 PolarHBondContact O-N 3.12Å; Y167-N171 PolarHBondContact O-N 2.94Å; Y167-K172 HydrophobicContact CD1-CB 3.54Å; Y167-K172 HydrophobicContact CD1-CG 4.28Å; Y167-K172 HydrophobicContact CE1-CB 4.06Å; Y167-K172 HydrophobicContact CE1-CG 4.48Å; Y167-K172 HydrophobicContact CG-CB 4.08Å; Y167-K172 WeakPolarHBondContact O-CB 3.42Å; Y167-K172 PolarHBondContact O-N 3.39Å
168	C	94	Very high	93.5	Very high	1 Å²	1	34 Å²	34	1%	0.007	17%	0.167	C	C	.	.	H	α-helix	trans	-60.4	-50.7	170.4	-76.9	0	0	0	0	112.2	I164 G165 R166 L170 N171 C176 N257	I164-C168 WeakPolarHBondContact O-CB 3.44Å; I164-C168 PolarHBondContact O-N 2.92Å; I164-C168 PolarHBondContact O-SG 2.82Å; I164-C168 VanDerWaalsContact O-SG 3.32Å; G165-C168 WeakPolarHBondContact O-CB 3.25Å; R166-C168 VanDerWaalsContact C-N 3.28Å; R166-C168 PolarHBondContact O-N 3.31Å; C168-L170 PolarHBondContact O-N 2.86Å; C168-N171 PolarHBondContact O-N 2.8Å; C168-C176 HydrophobicContact CB-CB 3.76Å; C168-C176 WeakPolarHBondContact CB-SG 3.39Å; C168-C176 WeakPolarHBondContact SG-CB 3.26Å; C168-C176 CovalentContact SG-SG 2.01Å; C168-C176 PolarHBondContact SG-SG 2.8Å; C168-N257 HydrophobicContact CB-CB 3.66Å
169	A	93.1	Very high	93	Very high	14 Å²	14	34.7 Å²	34.7	12%	0.116	17%	0.174	C	C	.	.	H	α-helix	trans	-63.5	-25.8	177.3	0	0	0	0	0	113.5	G165 R166 N171 C254	G165-A169 PolarHBondContact O-N 3.4Å; R166-A169 PolarHBondContact O-N 3.44Å; A169-N171 VanDerWaalsContact C-N 3.29Å; A169-C254 VanDerWaalsContact CA-SG 3.54Å; A169-C254 VanDerWaalsContact CB-SG 3.59Å; A169-C254 PolarHBondContact O-SG 3Å
170	L	91.5	Very high	91.8	Very high	81 Å²	81	40.1 Å²	40.1	42%	0.424	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	7.4	174.5	-64.8	175	0	0	0	113.4	R166 Y167 C168 K172	R166-L170 HydrophobicContact CG-CD1 4.03Å; R166-L170 VanDerWaalsContact O-CG 3.29Å; R166-L170 WeakPolarHBondContact O-CG 3.25Å; R166-L170 PolarHBondContact O-N 3.49Å; Y167-L170 CarbonylContact O-C 3.53Å; Y167-L170 PolarHBondContact O-N 3.12Å; C168-L170 PolarHBondContact O-N 2.86Å; L170-K172 HydrophobicContact CB-CG 3.8Å; L170-K172 PolarHBondContact O-N 3.28Å
171	N	91.1	Very high	90.1	Very high	107 Å²	107	41.5 Å²	41.5	57%	0.572	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.7	34.1	-176.1	-165.4	31.2	0	0	0	113.5	Y167 C168 A169	Y167-N171 PolarHBondContact O-N 2.94Å; C168-N171 PolarHBondContact O-N 2.8Å; A169-N171 VanDerWaalsContact C-N 3.29Å
172	K	91	Very high	88	Confident	13 Å²	13	47.5 Å²	47.5	6%	0.057	24%	0.241	C	C	.	.			trans	-91.2	-26.8	-179.6	-60.3	-53.3	-170.1	167.4	0	113.2	H64 P65 V66 S68 A70 Y167 L170	H64-K172 PolarHBondContact CD2-NZ 3.41Å; H64-K172 WeakPolarHBondContact NE2-CD 3.47Å; H64-K172 WeakPolarHBondContact NE2-CE 3.47Å; H64-K172 WeakPolarHBondContact NE2-CG 3.23Å; H64-K172 PolarHBondContact NE2-NZ 3.22Å; P65-K172 PolarHBondContact O-NZ 3.08Å; V66-K172 PolarHBondContact O-NZ 2.95Å; S68-K172 WeakPolarHBondContact O-CD 3.37Å; S68-K172 PolarHBondContact O-NZ 2.92Å; A70-K172 VanDerWaalsContact CB-O 3.31Å; A70-K172 WeakPolarHBondContact CB-O 3.47Å; A70-K172 PolarHBondContact N-O 2.97Å; Y167-K172 HydrophobicContact CD1-CB 3.54Å; Y167-K172 HydrophobicContact CD1-CG 4.28Å; Y167-K172 HydrophobicContact CE1-CB 4.06Å; Y167-K172 HydrophobicContact CE1-CG 4.48Å; Y167-K172 HydrophobicContact CG-CB 4.08Å; Y167-K172 WeakPolarHBondContact O-CB 3.42Å; Y167-K172 PolarHBondContact O-N 3.39Å; L170-K172 HydrophobicContact CB-CG 3.8Å; L170-K172 PolarHBondContact O-N 3.28Å
173	I	92.1	Very high	85.6	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.271	C	S	.	.	S	Bend	trans	-97.7	121.8	174.2	-65.5	166.6	0	0	0	108.2	A103 A106 I164 C176 Y264	A103-I173 HydrophobicContact CB-CD1 3.97Å; A103-I173 HydrophobicContact CB-CG1 4.42Å; A103-I173 HydrophobicContact CB-CG2 4.48Å; A106-I173 HydrophobicContact CB-CD1 4.28Å; I164-I173 HydrophobicContact CG2-CD1 4.02Å; I173-C176 HydrophobicContact CB-CB 4.08Å; I173-C176 HydrophobicContact CG2-CB 4.04Å; I173-C176 WeakPolarHBondContact O-CB 3.13Å; I173-C176 PolarHBondContact O-N 3.18Å; I173-Y264 HydrophobicContact CG2-CE2 4.28Å
174	R	90.4	Very high	82.8	Confident	118 Å²	118	51.6 Å²	51.6	45%	0.445	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	143.4	176.6	-161.4	178.4	-177	176.1	3.4	110.4	Y102 C176	Y102-R174 HydrophobicContact CD1-CB 3.97Å; Y102-R174 HydrophobicContact CD2-CB 3.85Å; Y102-R174 HydrophobicContact CE1-CB 4.2Å; Y102-R174 HydrophobicContact CE2-CB 4.07Å; Y102-R174 HydrophobicContact CG-CB 3.79Å; Y102-R174 PolarHBondContact OH-NH1 3.23Å; Y102-R174 VanDerWaalsContact OH-NH1 3.15Å; R174-C176 PolarHBondContact O-N 3.39Å
175	Y	86.1	Confident	80.3	Confident	138 Å²	138	57.5 Å²	57.5	54%	0.541	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.7	26.2	-177.6	-40.2	-75.5	0	0	0	114.1	R99 Y102	R99-Y175 HydrophobicContact CG-CD2 4.25Å; Y102-Y175 HydrophobicContact CD2-CE2 4.37Å; Y102-Y175 HydrophobicContact CE2-CE2 4Å
176	C	88.6	Confident	77.2	Confident	9 Å²	9	62 Å²	62	6%	0.061	35%	0.345	C	S	.	.			trans	-128.4	137	171.2	-153	0	0	0	0	109.8	C168 I173 R174 T260	C168-C176 HydrophobicContact CB-CB 3.76Å; C168-C176 WeakPolarHBondContact CB-SG 3.39Å; C168-C176 WeakPolarHBondContact SG-CB 3.26Å; C168-C176 CovalentContact SG-SG 2.01Å; C168-C176 PolarHBondContact SG-SG 2.8Å; I173-C176 HydrophobicContact CB-CB 4.08Å; I173-C176 HydrophobicContact CG2-CB 4.04Å; I173-C176 WeakPolarHBondContact O-CB 3.13Å; I173-C176 PolarHBondContact O-N 3.18Å; R174-C176 PolarHBondContact O-N 3.39Å; C176-T260 VanDerWaalsContact SG-CG2 3.53Å
177	S	91	Very high	74.4	Confident	70 Å²	70	63.6 Å²	63.6	49%	0.49	36%	0.363	S	S	.	.			trans	-116.9	-178.7	-179.8	55.7	0	0	0	0	110.9	N257	S177-N257 VanDerWaalsContact O-CB 3.29Å; S177-N257 WeakPolarHBondContact O-CB 2.97Å; S177-N257 PolarHBondContact O-ND2 3.18Å
178	C	92.2	Very high	71.7	Confident	47 Å²	47	68.1 Å²	68.1	32%	0.318	39%	0.393	S	S	.	.	S	Bend	trans	-51.4	152	162	-53.7	0	0	0	0	110.6	C254 N257	C178-C254 HydrophobicContact CB-CB 4.02Å; C178-C254 WeakPolarHBondContact CB-SG 3.39Å; C178-C254 WeakPolarHBondContact SG-CB 3.42Å; C178-C254 CovalentContact SG-SG 2.03Å; C178-C254 PolarHBondContact SG-SG 3.31Å; C178-N257 PolarHBondContact O-ND2 3.48Å
179	G	86.9	Confident	68.7	Low	14 Å²	14	75 Å²	75	14%	0.144	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-71.3	131.7	174.5	0	0	0	0	0	111.5	S255	G179-S255 PolarHBondContact N-O 3.42Å
180	D	72.6	Confident	65.7	Low	115 Å²	115	83.3 Å²	83.3	62%	0.615	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-78.9	116.1	169.3	-53.1	-43.8	0	0	0	107.8	D182	D180-D182 PolarHBondContact O-N 3.25Å
181	E	61.6	Low	62.8	Low	29 Å²	29	85 Å²	85	14%	0.136	48%	0.475	C	S	.	.			trans	-79.1	61.3	177.9	-56.5	-173.4	165.7	0	0	110.4	G183 Y185 S255 R470	E181-G183 PolarHBondContact O-N 3.31Å; E181-Y185 HydrophobicContact CB-CE2 4.32Å; E181-Y185 WeakPolarHBondContact CB-OH 3.47Å; E181-Y185 WeakPolarHBondContact O-CE2 3.33Å; E181-S255 PolarHBondContact OE1-OG 2.04Å; E181-R470 WeakPolarHBondContact OE1-CB 3.39Å; E181-R470 PolarHBondContact OE1-N 3.07Å
182	D	51.9	Low	60	Low	126 Å²	126	85 Å²	85	67%	0.674	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	30.2	-173.2	-71.7	-22.5	0	0	0	115.8	D180	D180-D182 PolarHBondContact O-N 3.25Å
183	G	47	Very low	57	Low	69 Å²	69	89.3 Å²	89.3	71%	0.711	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-167.7	20.8	-175.7	0	0	0	0	0	119.4	E181	E181-G183 PolarHBondContact O-N 3.31Å
184	S	38.9	Very low	54.2	Low	56 Å²	56	97.3 Å²	97.3	39%	0.392	55%	0.553	S	S	.	*			trans	-137.3	13.7	173.3	-65.6	0	0	0	0	115.1	A186 R470	S184-A186 PolarHBondContact O-N 3.41Å; S184-R470 PolarHBondContact OG-NH1 2.9Å
185	Y	41.8	Very low	51.3	Low	125 Å²	125	99.2 Å²	99.2	49%	0.49	57%	0.571	S	S	.	*			trans	-82.2	88.4	178	-55.8	-64.4	0	0	0	111	E181 T187 W251	E181-Y185 HydrophobicContact CB-CE2 4.32Å; E181-Y185 WeakPolarHBondContact CB-OH 3.47Å; E181-Y185 WeakPolarHBondContact O-CE2 3.33Å; Y185-T187 PolarHBondContact O-N 3.37Å; Y185-W251 HydrophobicContact CD1-CB 4.3Å; Y185-W251 HydrophobicContact CD1-CG 4.44Å; Y185-W251 HydrophobicContact CE1-CB 3.8Å; Y185-W251 HydrophobicContact CE1-CG 4.23Å
186	A	32.1	Very low	48.6	Very low	93 Å²	93	103.2 Å²	103.2	77%	0.769	59%	0.587	S	S	*	*			trans	-72	91.4	141.4	0	0	0	0	0	106.2	S184	S184-A186 PolarHBondContact O-N 3.41Å
187	T	34.5	Very low	45.8	Very low	101 Å²	101	111.3 Å²	111.3	62%	0.62	62%	0.621	S	S	*	*			trans	-58.9	129.4	160.4	50.1	0	0	0	0	106.7	Y185 N189	Y185-T187 PolarHBondContact O-N 3.37Å; T187-N189 PolarHBondContact O-N 2.71Å
188	P	37.3	Very low	43	Very low	105 Å²	105	115.5 Å²	115.5	68%	0.682	64%	0.638	S	S	*	*			trans	-58.5	118	166.7	-14.6	27.4	0	0	0	106.5	Y190	P188-Y190 PolarHBondContact O-N 2.93Å
189	N	31	Very low	40.1	Very low	145 Å²	145	119.2 Å²	119.2	78%	0.775	65%	0.654	S	S	*	*			trans	-52.7	104.4	172.9	-83.1	-24.1	0	0	0	107.9	T187 P191	T187-N189 PolarHBondContact O-N 2.71Å; N189-P191 WeakPolarHBondContact O-CD 3.41Å
190	Y	30	Very low	37.8	Very low	188 Å²	188	125.1 Å²	125.1	74%	0.737	68%	0.683	S	S	*	*			trans	-70	123.4	163.7	-114.8	-88.9	0	0	0	105.9	P188 S192	P188-Y190 PolarHBondContact O-N 2.93Å; Y190-S192 PolarHBondContact O-N 3Å
191	P	30.6	Very low	36.2	Very low	116 Å²	116	126.1 Å²	126.1	75%	0.753	69%	0.688	S	S	*	*			trans	-70.2	92.3	170.2	29	-29.4	0	0	0	106.7	N189 S193	N189-P191 WeakPolarHBondContact O-CD 3.41Å; P191-S193 PolarHBondContact O-N 2.93Å
192	S	31.7	Very low	34.9	Very low	108 Å²	108	131.7 Å²	131.7	76%	0.755	72%	0.719	S	S	*	*			trans	-69.1	103.4	164.3	-102	0	0	0	0	107.2	Y190 H194	Y190-S192 PolarHBondContact O-N 3Å; S192-H194 PolarHBondContact O-N 3.14Å
193	S	28.5	Very low	34	Very low	103 Å²	103	133.9 Å²	133.9	72%	0.72	73%	0.73	S	S	*	*			trans	-62.7	80.9	166.8	54.4	0	0	0	0	110	P191	P191-S193 PolarHBondContact O-N 2.93Å
194	H	34.1	Very low	33.1	Very low	169 Å²	169	139.5 Å²	139.5	78%	0.782	74%	0.742	S	S	*	*			trans	-141.4	70.6	159.4	-84.1	-67.8	0	0	0	109.2	S192 Y196	S192-H194 PolarHBondContact O-N 3.14Å; H194-Y196 PolarHBondContact O-N 2.78Å
195	L	29.2	Very low	32.7	Very low	158 Å²	158	147.8 Å²	147.8	83%	0.827	77%	0.765	S	S	*	*			trans	-70.1	105.6	156.4	-101.7	94.7	0	0	0	108
196	Y	29.2	Very low	32	Very low	221 Å²	221	151 Å²	151	87%	0.867	79%	0.785	S	S	*	*			trans	-107.9	104.8	150.9	-114	-90	0	0	0	107.9	H194 N198	H194-Y196 PolarHBondContact O-N 2.78Å; Y196-N198 PolarHBondContact O-N 3.41Å
197	K	28.8	Very low	31.8	Very low	179 Å²	179	155.1 Å²	155.1	78%	0.778	79%	0.788	S	S	*	*			trans	-58.9	127.7	164.9	-84.9	174.4	171.3	173.9	0	108
198	N	32.7	Very low	31.5	Very low	158 Å²	158	156.5 Å²	156.5	85%	0.845	80%	0.797	S	S	*	*			trans	-139.4	129	143.3	-146.5	-4	0	0	0	111.4	Y196	Y196-N198 PolarHBondContact O-N 3.41Å
199	N	31.6	Very low	31	Very low	125 Å²	125	158.5 Å²	158.5	67%	0.668	80%	0.8	S	S	*	*			trans	-75.3	137	179.8	-73.3	-30.4	0	0	0	109.2
200	N	39.6	Very low	30.8	Very low	139 Å²	139	158.9 Å²	158.9	74%	0.743	79%	0.792	S	S	*	*			trans	142.2	110.5	137.9	-69.9	-25.2	0	0	0	112.4
201	N	38.4	Very low	30.8	Very low	135 Å²	135	156.6 Å²	156.6	72%	0.722	79%	0.793	S	S	*	*			trans	61.1	109.4	135.7	-56.1	-16.4	0	0	0	119.5
202	N	33.2	Very low	30.6	Very low	147 Å²	147	158 Å²	158	79%	0.786	79%	0.794	S	S	*	*			trans	61.6	90.6	134.4	-59.3	-15.8	0	0	0	117.8
203	L	33.9	Very low	30.6	Very low	172 Å²	172	159.6 Å²	159.6	90%	0.901	79%	0.794	S	S	*	*			trans	-142.2	111.8	134.8	-133.7	91.6	0	0	0	110.1	R205	L203-R205 PolarHBondContact O-N 3.04Å; L203-R205 VanDerWaalsContact O-N 3.11Å
204	L	28.2	Very low	30.8	Very low	187 Å²	187	161.1 Å²	161.1	98%	0.979	79%	0.794	S	S	*	*			trans	-67.3	99.5	178.9	-145.7	85.8	0	0	0	108.9
205	R	30	Very low	30.8	Very low	229 Å²	229	160.3 Å²	160.3	86%	0.864	80%	0.795	S	S	*	*			trans	-126.8	110.6	166.7	-150.9	177.5	-171.9	-148.2	1.7	108.8	L203 Q207	L203-R205 PolarHBondContact O-N 3.04Å; L203-R205 VanDerWaalsContact O-N 3.11Å; R205-Q207 PolarHBondContact O-N 2.78Å
206	Q	27.7	Very low	30.6	Very low	193 Å²	193	157.5 Å²	157.5	90%	0.902	80%	0.795	S	S	*	*			trans	-42.8	105	177.1	-78	165.6	-25	0	0	111.6
207	Q	28.5	Very low	30.8	Very low	180 Å²	180	151.7 Å²	151.7	84%	0.841	78%	0.778	S	S	*	*			trans	-99.6	102.5	153.3	-79.2	178.6	-5.8	0	0	106.1	R205 L209	R205-Q207 PolarHBondContact O-N 2.78Å; Q207-L209 PolarHBondContact O-N 3.15Å
208	T	27.9	Very low	30.7	Very low	130 Å²	130	147.1 Å²	147.1	80%	0.798	77%	0.766	S	S	*	*			trans	-66.8	114.3	169.5	45.5	0	0	0	0	108.6
209	L	26.3	Very low	30.5	Very low	146 Å²	146	147.3 Å²	147.3	76%	0.764	76%	0.756	S	S	*	*			trans	-52.6	136.8	166.2	-72.6	90.4	0	0	0	110.7	Q207	Q207-L209 PolarHBondContact O-N 3.15Å
210	Y	26.7	Very low	30.4	Very low	154 Å²	154	147.4 Å²	147.4	60%	0.604	76%	0.756	S	S	*	*			trans	-134.2	120	148.9	-109.8	-81.4	0	0	0	109.1	A391	Y210-A391 HydrophobicContact CD2-CB 4.46Å; Y210-A391 HydrophobicContact CE1-CB 3.81Å; Y210-A391 HydrophobicContact CE2-CB 3.55Å; Y210-A391 WeakPolarHBondContact OH-CB 3.49Å; Y210-A391 PolarHBondContact OH-O 3.24Å
211	N	29.8	Very low	29.9	Very low	139 Å²	139	146.5 Å²	146.5	74%	0.743	76%	0.76	S	S	*	*			trans	-59.2	126.4	-176.4	-82.6	-25.4	0	0	0	112.3
212	D	27.5	Very low	29.7	Very low	147 Å²	147	147.4 Å²	147.4	79%	0.786	77%	0.766	S	S	*	*			trans	-60.8	124.8	152.7	-79.4	-41.5	0	0	0	109.4
213	N	31.6	Very low	29.7	Very low	141 Å²	141	143.9 Å²	143.9	75%	0.754	76%	0.764	S	S	*	*			trans	-159.4	124.4	152.4	-92	-25.3	0	0	0	109.8
214	N	32.1	Very low	29.5	Very low	135 Å²	135	145.5 Å²	145.5	72%	0.722	77%	0.766	S	S	*	*			trans	104.8	82.6	154.3	-50.2	-27.3	0	0	0	118.1
215	N	33	Very low	29.9	Very low	151 Å²	151	142.2 Å²	142.2	81%	0.807	76%	0.759	S	S	*	*				61.7	109.5	115.5	-61.3	-7.5	0	0	0	119.6
216	A	26.7	Very low	29.8	Very low	100 Å²	100	138.7 Å²	138.7	83%	0.826	76%	0.755	S	S	*	*			trans	-71.2	133.2	164.7	0	0	0	0	0	111.8
217	L	31.7	Very low	30.1	Very low	98 Å²	98	136.2 Å²	136.2	51%	0.513	75%	0.747	S	S	.	*			trans	-97.1	142.6	170.4	-82.2	163.9	0	0	0	111.5	E283 D285	L217-E283 WeakPolarHBondContact CB-OE2 3.47Å; L217-D285 HydrophobicContact CD1-CB 4.18Å
218	V	28.1	Very low	30.2	Very low	84 Å²	84	132.2 Å²	132.2	51%	0.509	74%	0.739	S	S	.	*			trans	-105.4	124.7	-175.7	171.6	0	0	0	0	107.6
219	Y	28.9	Very low	30.4	Very low	162 Å²	162	133 Å²	133	64%	0.635	74%	0.737	S	S	*	*			trans	-93.4	114.5	170.4	-116.1	-97	0	0	0	110.7
220	N	28.2	Very low	30.5	Very low	126 Å²	126	132.6 Å²	132.6	67%	0.674	74%	0.736	S	S	*	*			trans	-78.6	139.2	163.9	-85.9	-6.4	0	0	0	109.8
221	S	30.5	Very low	30.7	Very low	120 Å²	120	131 Å²	131	84%	0.839	74%	0.742	S	S	*	*			trans	-100.7	95.3	176.7	-171	0	0	0	0	107.9
222	D	32.7	Very low	30.8	Very low	155 Å²	155	129.4 Å²	129.4	83%	0.829	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-84.5	116.6	173.1	-75.2	-30	0	0	0	110.7
223	G	33.7	Very low	31	Very low	73 Å²	73	131.6 Å²	131.6	75%	0.753	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-94.6	129	162.4	0	0	0	0	0	109.8
224	H	30.3	Very low	30.9	Very low	205 Å²	205	129.4 Å²	129.4	95%	0.949	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-62.5	137	172.7	-75.8	-72.1	0	0	0	112.6
225	S	35.3	Very low	31	Very low	119 Å²	119	130.2 Å²	130.2	83%	0.832	74%	0.744	S	S	*	*			trans	-157.1	127.8	138.2	-173	0	0	0	0	111.7
226	M	29.2	Very low	31	Very low	155 Å²	155	130.3 Å²	130.3	76%	0.764	75%	0.745	S	S	*	*			trans	-58.6	139.5	168.5	-85.4	149.1	54.7	0	0	112.9
227	N	33.2	Very low	31.3	Very low	140 Å²	140	133.3 Å²	133.3	75%	0.749	75%	0.745	S	S	*	*				166.6	134.5	109.6	-88.7	-26.1	0	0	0	114.1
228	S	30.3	Very low	31.2	Very low	97 Å²	97	133.7 Å²	133.7	68%	0.678	75%	0.754	S	S	*	*			trans	68.5	113.1	139.7	75.5	0	0	0	0	123.3
229	I	32.4	Very low	31.2	Very low	146 Å²	146	137.7 Å²	137.7	75%	0.749	77%	0.769	S	S	*	*				78.1	111.8	116	-64.5	171.8	0	0	0	119.1
230	D	29.5	Very low	31.2	Very low	138 Å²	138	135.5 Å²	135.5	74%	0.738	77%	0.772	S	S	*	*			trans	81.9	133.8	137.1	-72.1	-14.8	0	0	0	125.2
231	T	31.1	Very low	31.5	Very low	120 Å²	120	137.8 Å²	137.8	74%	0.736	78%	0.784	S	S	*	*			trans	84.8	90.5	141.4	47.6	0	0	0	0	120.5
232	S	30.4	Very low	31.4	Very low	105 Å²	105	135.8 Å²	135.8	73%	0.734	78%	0.783	S	S	*	*				21.3	135	122.9	60.5	0	0	0	0	121.5
233	K	31.4	Very low	31.4	Very low	194 Å²	194	137 Å²	137	84%	0.843	78%	0.784	S	S	*	*			trans	102.3	114.2	149.6	-75.1	178.6	176.2	175.6	0	119
234	S	29.4	Very low	31.4	Very low	94 Å²	94	138.5 Å²	138.5	66%	0.657	78%	0.78	S	S	*	*			trans	68.2	109.6	135.6	75.6	0	0	0	0	118.2
235	N	34.8	Very low	31.9	Very low	152 Å²	152	135.4 Å²	135.4	81%	0.813	78%	0.776	S	S	*	*				177	135.2	94.4	-84.8	-36.6	0	0	0	109.9
236	N	34.2	Very low	32.5	Very low	154 Å²	154	134.3 Å²	134.3	82%	0.824	76%	0.764	S	S	*	*			trans	-64.1	151.9	171.4	-66.8	-41.5	0	0	0	111
237	I	32.6	Very low	33.7	Very low	162 Å²	162	129 Å²	129	83%	0.831	74%	0.742	S	S	*	*			trans	134.4	135.4	163.7	-72.3	156.2	0	0	0	109.1
238	P	28.8	Very low	35.3	Very low	106 Å²	106	126.7 Å²	126.7	69%	0.688	73%	0.725	S	S	*	*			cis	-141.3	175	-26.8	37.2	-16	0	0	0	114.6
239	M	28.6	Very low	37.6	Very low	169 Å²	169	125.4 Å²	125.4	83%	0.833	71%	0.708	S	S	*	*			trans	11.3	131.5	145.1	-59.7	179.9	71.8	0	0	119.4
240	T	29.6	Very low	40	Very low	115 Å²	115	123.4 Å²	123.4	71%	0.706	69%	0.691	S	S	*	*			cis	-168.4	79.7	-7.9	41.8	0	0	0	0	106.3
241	D	32.9	Very low	42.5	Very low	174 Å²	174	120.6 Å²	120.6	93%	0.93	67%	0.671	S	S	*	*			trans	-129.8	66.7	176.9	-83.1	-30.8	0	0	0	110.4
242	G	29.3	Very low	45.1	Very low	79 Å²	79	117.3 Å²	117.3	81%	0.814	66%	0.656	S	S	*	*			trans	-104.3	36	-178.8	0	0	0	0	0	113.5	P244	G242-P244 WeakPolarHBondContact O-CD 3.42Å
243	Q	31.3	Very low	47.7	Very low	181 Å²	181	115 Å²	115	85%	0.846	65%	0.649	S	S	*	*			trans	-83.9	116.8	174.7	-125.9	158.2	-74	0	0	108.8	T245	Q243-T245 PolarHBondContact O-N 3.21Å; Q243-T245 VanDerWaalsContact O-N 3.15Å
244	P	35.4	Very low	50.5	Low	104 Å²	104	107.3 Å²	107.3	68%	0.675	62%	0.619	S	S	*	*			trans	-58.1	126.3	174.2	25.5	-31.2	0	0	0	106.9	G242 V246	G242-P244 WeakPolarHBondContact O-CD 3.42Å; P244-V246 HydrophobicContact CG-CG2 4.44Å; P244-V246 PolarHBondContact O-N 3.3Å
245	T	39.4	Very low	53.5	Low	139 Å²	139	103.4 Å²	103.4	85%	0.853	59%	0.591	S	S	*	*			trans	-69.1	78.1	173.8	47	0	0	0	0	108.2	Q243 S247	Q243-T245 PolarHBondContact O-N 3.21Å; Q243-T245 VanDerWaalsContact O-N 3.15Å; T245-S247 PolarHBondContact O-N 3.39Å
246	V	49.5	Very low	56.3	Low	97 Å²	97	96.3 Å²	96.3	59%	0.588	55%	0.553	S	S	*	*			trans	-58	107.7	173.2	-176.8	0	0	0	0	106.1	P244 K248	P244-V246 HydrophobicContact CG-CG2 4.44Å; P244-V246 PolarHBondContact O-N 3.3Å; V246-K248 VanDerWaalsContact C-N 3.3Å; V246-K248 PolarHBondContact O-N 3.09Å
247	S	53.1	Low	59.1	Low	42 Å²	42	89.5 Å²	89.5	29%	0.294	52%	0.517	S	S	.	.			trans	-59.6	97	176.1	71.1	0	0	0	0	108.3	T245 F249	T245-S247 PolarHBondContact O-N 3.39Å; S247-F249 PolarHBondContact O-N 3.27Å; S247-F249 VanDerWaalsContact O-N 3.09Å
248	K	68.2	Low	61.9	Low	92 Å²	92	83 Å²	83	40%	0.4	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	103.5	-174.9	-168.6	172.5	-179.7	-178	0	107.4	V246 Y250	V246-K248 VanDerWaalsContact C-N 3.3Å; V246-K248 PolarHBondContact O-N 3.09Å; K248-Y250 HydrophobicContact CD-CE1 4.29Å; K248-Y250 HydrophobicContact CD-CE2 4.27Å; K248-Y250 VanDerWaalsContact CD-OH 3.29Å; K248-Y250 WeakPolarHBondContact CD-OH 3.28Å; K248-Y250 WeakPolarHBondContact CE-OH 3.44Å; K248-Y250 HydrophobicContact CG-CE1 4.37Å; K248-Y250 HydrophobicContact CG-CE2 3.94Å; K248-Y250 PolarHBondContact NZ-OH 2.83Å
249	F	77.7	Confident	64.7	Low	71 Å²	71	86 Å²	86	31%	0.311	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	152.9	166.2	75.2	-90.4	0	0	0	110.7	S247 W251 R466 C468	S247-F249 PolarHBondContact O-N 3.27Å; S247-F249 VanDerWaalsContact O-N 3.09Å; F249-W251 HydrophobicContact CE2-CD2 4.34Å; F249-W251 AromaticContact CE2-CE2 3.84Å; F249-W251 HydrophobicContact CE2-CZ2 4.02Å; F249-W251 AromaticContact CE2-NE1 3.94Å; F249-W251 HydrophobicContact CZ-CZ2 4.43Å; F249-R466 CarbonylContact C-O 3.46Å; F249-R466 WeakPolarHBondContact CA-O 3.5Å; F249-R466 HydrophobicContact CB-CG 3.39Å; F249-R466 WeakPolarHBondContact CB-O 3.43Å; F249-R466 VanDerWaalsContact CD1-NH2 3.35Å; F249-C468 HydrophobicContact CD2-CB 3.76Å; F249-C468 VanDerWaalsContact CD2-SG 3.55Å; F249-C468 HydrophobicContact CE2-CB 4.17Å
250	Y	83.4	Confident	67.7	Low	103 Å²	103	78.7 Å²	78.7	40%	0.404	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	140.5	178.7	-58.5	-97	0	0	0	109.1	K248 A252 Q465 R466 V467 C468	K248-Y250 HydrophobicContact CD-CE1 4.29Å; K248-Y250 HydrophobicContact CD-CE2 4.27Å; K248-Y250 VanDerWaalsContact CD-OH 3.29Å; K248-Y250 WeakPolarHBondContact CD-OH 3.28Å; K248-Y250 WeakPolarHBondContact CE-OH 3.44Å; K248-Y250 HydrophobicContact CG-CE1 4.37Å; K248-Y250 HydrophobicContact CG-CE2 3.94Å; K248-Y250 PolarHBondContact NZ-OH 2.83Å; Y250-A252 PolarHBondContact O-N 3.23Å; Y250-Q465 HydrophobicContact CD2-CG 4.44Å; Y250-Q465 HydrophobicContact CE2-CG 4.19Å; Y250-R466 PolarHBondContact N-O 2.91Å; Y250-V467 CarbonylContact O-C 3.58Å; Y250-V467 VanDerWaalsContact O-CA 3.31Å; Y250-V467 WeakPolarHBondContact O-CA 3.05Å; Y250-C468 PolarHBondContact O-N 3.28Å
251	W	82.5	Confident	70.8	Confident	80 Å²	80	73.2 Å²	73.2	30%	0.303	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	113.6	172.5	-70	103.3	0	0	0	109.6	Y185 F249 L452 C468 R470	Y185-W251 HydrophobicContact CD1-CB 4.3Å; Y185-W251 HydrophobicContact CD1-CG 4.44Å; Y185-W251 HydrophobicContact CE1-CB 3.8Å; Y185-W251 HydrophobicContact CE1-CG 4.23Å; F249-W251 HydrophobicContact CE2-CD2 4.34Å; F249-W251 AromaticContact CE2-CE2 3.84Å; F249-W251 HydrophobicContact CE2-CZ2 4.02Å; F249-W251 AromaticContact CE2-NE1 3.94Å; F249-W251 HydrophobicContact CZ-CZ2 4.43Å; W251-L452 HydrophobicContact CH2-CD1 3.44Å; W251-L452 VanDerWaalsContact CH2-CD1 3.44Å; W251-L452 HydrophobicContact CZ3-CD1 3.44Å; W251-L452 VanDerWaalsContact CZ3-CD1 3.44Å; W251-C468 WeakPolarHBondContact CA-O 3.35Å; W251-R470 HydrophobicContact CH2-CG 4.4Å; W251-R470 HydrophobicContact CZ3-CG 4.09Å
252	A	84.1	Confident	73.6	Confident	51 Å²	51	65.7 Å²	65.7	42%	0.421	37%	0.372	S	S	.	.			trans	-167.8	171	173.3	0	0	0	0	0	109.2	Y250 V467 C468 F469	Y250-A252 PolarHBondContact O-N 3.23Å; A252-V467 HydrophobicContact CB-CG1 3.5Å; A252-V467 VanDerWaalsContact CB-CG1 3.5Å; A252-V467 WeakPolarHBondContact O-CG1 3.32Å; A252-C468 PolarHBondContact N-O 3.33Å; A252-C468 VanDerWaalsContact N-O 3.07Å; A252-C468 CarbonylContact O-C 3.52Å; A252-F469 WeakPolarHBondContact O-CB 3.37Å; A252-F469 WeakPolarHBondContact O-CD1 3.37Å
253	G	85.4	Confident	76.5	Confident	57 Å²	57	63.9 Å²	63.9	59%	0.588	34%	0.342	S	S	*	.	S	Bend	trans	116.6	-162.3	-174.6	0	0	0	0	0	110.7
254	C	91	Very high	79.4	Confident	32 Å²	32	55.2 Å²	55.2	22%	0.216	30%	0.302	C	S	.	.			trans	-121	92.6	-179.2	-173.3	0	0	0	0	109.5	A169 C178	A169-C254 VanDerWaalsContact CA-SG 3.54Å; A169-C254 VanDerWaalsContact CB-SG 3.59Å; A169-C254 PolarHBondContact O-SG 3Å; C178-C254 HydrophobicContact CB-CB 4.02Å; C178-C254 WeakPolarHBondContact CB-SG 3.39Å; C178-C254 WeakPolarHBondContact SG-CB 3.42Å; C178-C254 CovalentContact SG-SG 2.03Å; C178-C254 PolarHBondContact SG-SG 3.31Å
255	S	92.4	Very high	82.3	Confident	11 Å²	11	50.3 Å²	50.3	8%	0.077	27%	0.27	C	S	.	.			trans	-67.9	150	173.8	-57	0	0	0	0	110.6	G179 E181 N257 F469 R470	G179-S255 PolarHBondContact N-O 3.42Å; E181-S255 PolarHBondContact OE1-OG 2.04Å; S255-N257 PolarHBondContact O-N 3.06Å; S255-F469 WeakPolarHBondContact OG-CB 3.25Å; S255-R470 VanDerWaalsContact CA-O 3.32Å; S255-R470 WeakPolarHBondContact CA-O 3.29Å; S255-R470 VanDerWaalsContact CB-O 3.28Å; S255-R470 WeakPolarHBondContact CB-O 3.28Å; S255-R470 PolarHBondContact OG-O 3.11Å
256	D	93.2	Very high	84.7	Confident	4 Å²	4	44.1 Å²	44.1	2%	0.021	23%	0.232	C	C	.	.			trans	-64.9	136.6	175.8	-62.4	-33.1	0	0	0	110	R166 L258 Q471 L472	R166-D256 WeakPolarHBondContact CD-OD1 3.4Å; R166-D256 IonicContact NH1-OD1 3.24Å; R166-D256 PolarHBondContact NH1-OD1 2.9Å; D256-L258 VanDerWaalsContact C-N 3.32Å; D256-L258 PolarHBondContact O-N 3.5Å; D256-Q471 VanDerWaalsContact OD2-CG 3.32Å; D256-Q471 WeakPolarHBondContact OD2-CG 3.27Å; D256-L472 HydrophobicContact CB-CD1 4.33Å; D256-L472 HydrophobicContact CB-CG 4.23Å; D256-L472 WeakPolarHBondContact OD2-CB 3.37Å; D256-L472 PolarHBondContact OD2-N 2.77Å
257	N	92.3	Very high	86.6	Confident	10 Å²	10	42.5 Å²	42.5	5%	0.053	22%	0.22	C	C	.	.			trans	-78.8	78.9	-174.1	-165.2	-40.3	0	0	0	111.6	G165 C168 S177 C178 S255 R259 T260 A261	G165-N257 PolarHBondContact O-N 3.45Å; C168-N257 HydrophobicContact CB-CB 3.66Å; S177-N257 VanDerWaalsContact O-CB 3.29Å; S177-N257 WeakPolarHBondContact O-CB 2.97Å; S177-N257 PolarHBondContact O-ND2 3.18Å; C178-N257 PolarHBondContact O-ND2 3.48Å; S255-N257 PolarHBondContact O-N 3.06Å; N257-R259 VanDerWaalsContact C-N 3.27Å; N257-R259 PolarHBondContact O-N 2.99Å; N257-T260 PolarHBondContact ND2-OG1 2.88Å; N257-T260 PolarHBondContact O-N 3.29Å; N257-T260 WeakPolarHBondContact OD1-CB 3.14Å; N257-T260 PolarHBondContact OD1-N 3.22Å; N257-T260 PolarHBondContact OD1-OG1 3.4Å; N257-A261 VanDerWaalsContact O-CB 3.24Å; N257-A261 WeakPolarHBondContact O-CB 3.41Å; N257-A261 PolarHBondContact O-N 3.43Å
258	L	91	Very high	88.6	Confident	26 Å²	26	40.5 Å²	40.5	14%	0.136	21%	0.206	C	C	.	.	H	α-helix	trans	-59.3	-37.2	-178.7	-74.1	-166.3	0	0	0	113.3	D256 A261 K262 E447 L472	D256-L258 VanDerWaalsContact C-N 3.32Å; D256-L258 PolarHBondContact O-N 3.5Å; L258-A261 PolarHBondContact O-N 3.05Å; L258-K262 WeakPolarHBondContact O-CB 3.27Å; L258-K262 VanDerWaalsContact O-CG 3.27Å; L258-K262 WeakPolarHBondContact O-CG 3Å; L258-K262 PolarHBondContact O-N 3.11Å; L258-E447 HydrophobicContact CD1-CG 3.99Å; L258-L472 HydrophobicContact CD2-CD1 3.72Å; L258-L472 HydrophobicContact CD2-CD2 3.58Å; L258-L472 HydrophobicContact CD2-CG 3.79Å
259	R	89	Confident	89.8	Confident	168 Å²	168	36.8 Å²	36.8	63%	0.634	19%	0.19	S	C	*	.	H	α-helix	trans	-60	-53.4	-178.8	-177	177.2	179	177.5	0.3	110.7	N257 E263	N257-R259 VanDerWaalsContact C-N 3.27Å; N257-R259 PolarHBondContact O-N 2.99Å; R259-E263 PolarHBondContact O-N 3.2Å
260	T	91	Very high	90.2	Very high	17 Å²	17	33.8 Å²	33.8	10%	0.104	18%	0.179	C	C	.	.	H	α-helix	trans	-67.6	-39.5	177.9	-53.1	0	0	0	0	111.2	C176 N257 K262 E263 Y264	C176-T260 VanDerWaalsContact SG-CG2 3.53Å; N257-T260 PolarHBondContact ND2-OG1 2.88Å; N257-T260 PolarHBondContact O-N 3.29Å; N257-T260 WeakPolarHBondContact OD1-CB 3.14Å; N257-T260 PolarHBondContact OD1-N 3.22Å; N257-T260 PolarHBondContact OD1-OG1 3.4Å; T260-K262 PolarHBondContact O-N 3.25Å; T260-E263 PolarHBondContact O-N 2.98Å; T260-Y264 HydrophobicContact CG2-CD1 3.84Å; T260-Y264 HydrophobicContact CG2-CD2 4.37Å; T260-Y264 HydrophobicContact CG2-CE1 3.58Å; T260-Y264 HydrophobicContact CG2-CE2 4.16Å; T260-Y264 HydrophobicContact CG2-CG 4.23Å; T260-Y264 WeakPolarHBondContact O-CD1 3.43Å; T260-Y264 PolarHBondContact O-N 3.36Å
261	A	94.2	Very high	90.2	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-59.9	-45.4	178.6	0	0	0	0	0	112.3	L161 I164 N257 L258 Y264 T265	L161-A261 VanDerWaalsContact CD1-C 3.5Å; L161-A261 HydrophobicContact CD1-CB 3.64Å; L161-A261 HydrophobicContact CG-CB 4.2Å; I164-A261 HydrophobicContact CB-CB 4.29Å; I164-A261 HydrophobicContact CG2-CB 4.14Å; N257-A261 VanDerWaalsContact O-CB 3.24Å; N257-A261 WeakPolarHBondContact O-CB 3.41Å; N257-A261 PolarHBondContact O-N 3.43Å; L258-A261 PolarHBondContact O-N 3.05Å; A261-Y264 PolarHBondContact O-N 2.04Å; A261-T265 WeakPolarHBondContact O-CB 3.47Å; A261-T265 PolarHBondContact O-N 2.91Å; A261-T265 PolarHBondContact O-OG1 2.98Å
262	K	92.1	Very high	89.6	Confident	15 Å²	15	27.7 Å²	27.7	7%	0.065	16%	0.162	C	C	.	.	H	α-helix	trans	-62.5	-45.8	176.4	-75.8	177	171.2	-176.1	0	111.6	L161 L258 T260 T265 S266 V443 E447	L161-K262 HydrophobicContact CD1-CB 4.36Å; L161-K262 HydrophobicContact CD1-CG 3.76Å; L258-K262 WeakPolarHBondContact O-CB 3.27Å; L258-K262 VanDerWaalsContact O-CG 3.27Å; L258-K262 WeakPolarHBondContact O-CG 3Å; L258-K262 PolarHBondContact O-N 3.11Å; T260-K262 PolarHBondContact O-N 3.25Å; K262-T265 PolarHBondContact O-N 3.16Å; K262-S266 VanDerWaalsContact O-CB 3.25Å; K262-S266 WeakPolarHBondContact O-CB 3.47Å; K262-S266 PolarHBondContact O-N 3Å; K262-S266 PolarHBondContact O-OG 3.27Å; K262-V443 HydrophobicContact CG-CG1 4.01Å; K262-E447 VanDerWaalsContact CE-CD 3.47Å; K262-E447 WeakPolarHBondContact CE-OE1 3.45Å; K262-E447 WeakPolarHBondContact CE-OE2 3.03Å; K262-E447 IonicContact NZ-OE1 2.89Å; K262-E447 PolarHBondContact NZ-OE1 3.3Å; K262-E447 IonicContact NZ-OE2 3.12Å; K262-E447 PolarHBondContact NZ-OE2 3.03Å
263	E	89.7	Confident	88.5	Confident	41 Å²	41	28.6 Å²	28.6	19%	0.192	16%	0.16	C	C	.	.	H	α-helix	trans	-57.4	-52.3	176.3	-173.4	-174	170	0	0	110.8	R259 T260 T265 S266 L267	R259-E263 PolarHBondContact O-N 3.2Å; T260-E263 PolarHBondContact O-N 2.98Å; E263-T265 PolarHBondContact O-N 3.02Å; E263-S266 PolarHBondContact O-N 3Å; E263-S266 PolarHBondContact O-OG 3.4Å; E263-L267 HydrophobicContact CG-CD1 3.93Å; E263-L267 HydrophobicContact CG-CG 4.48Å; E263-L267 WeakPolarHBondContact O-CB 3.23Å; E263-L267 VanDerWaalsContact O-CG 3.26Å; E263-L267 WeakPolarHBondContact O-CG 3.11Å; E263-L267 PolarHBondContact O-N 3.32Å
264	Y	94.1	Very high	87.1	Confident	0 Å²	0	28 Å²	28	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-69.1	-39.7	-175.7	-76.1	23.3	0	0	0	111.7	F94 F100 A103 I164 I173 T260 A261 L267 F268	F94-Y264 HydrophobicContact CE2-CG 4.32Å; F94-Y264 HydrophobicContact CZ-CD2 4.06Å; F94-Y264 HydrophobicContact CZ-CG 4.18Å; F100-Y264 HydrophobicContact CD1-CD1 4.17Å; F100-Y264 AromaticContact CD1-CE1 3.61Å; F100-Y264 HydrophobicContact CD1-CE1 3.61Å; F100-Y264 HydrophobicContact CD1-CE2 4.21Å; F100-Y264 AromaticContact CD1-CZ 3.63Å; F100-Y264 HydrophobicContact CE1-CD1 4.31Å; F100-Y264 AromaticContact CE1-CE1 3.68Å; F100-Y264 HydrophobicContact CE1-CE1 3.68Å; A103-Y264 HydrophobicContact CB-CD2 3.67Å; A103-Y264 HydrophobicContact CB-CE2 3.95Å; I164-Y264 HydrophobicContact CG2-CD2 4.07Å; I164-Y264 HydrophobicContact CG2-CG 4.4Å; I173-Y264 HydrophobicContact CG2-CE2 4.28Å; T260-Y264 HydrophobicContact CG2-CD1 3.84Å; T260-Y264 HydrophobicContact CG2-CD2 4.37Å; T260-Y264 HydrophobicContact CG2-CE1 3.58Å; T260-Y264 HydrophobicContact CG2-CE2 4.16Å; T260-Y264 HydrophobicContact CG2-CG 4.23Å; T260-Y264 WeakPolarHBondContact O-CD1 3.43Å; T260-Y264 PolarHBondContact O-N 3.36Å; A261-Y264 PolarHBondContact O-N 2.04Å; Y264-L267 PolarHBondContact O-N 3.15Å; Y264-F268 VanDerWaalsContact O-CB 3.26Å; Y264-F268 WeakPolarHBondContact O-CB 3.1Å; Y264-F268 PolarHBondContact O-N 3.07Å
265	T	94.7	Very high	85.2	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-62.5	-44.3	177.2	-58.5	0	0	0	0	110.7	L160 A261 K262 E263 F268 L269 F271 V443	L160-T265 HydrophobicContact CB-CG2 4.32Å; L160-T265 HydrophobicContact CD2-CG2 4.07Å; L160-T265 HydrophobicContact CG-CG2 4.19Å; A261-T265 WeakPolarHBondContact O-CB 3.47Å; A261-T265 PolarHBondContact O-N 2.91Å; A261-T265 PolarHBondContact O-OG1 2.98Å; K262-T265 PolarHBondContact O-N 3.16Å; E263-T265 PolarHBondContact O-N 3.02Å; T265-F268 PolarHBondContact O-N 3.5Å; T265-L269 HydrophobicContact CG2-CD1 3.88Å; T265-L269 WeakPolarHBondContact O-CB 3.19Å; T265-L269 WeakPolarHBondContact O-CG 3.32Å; T265-L269 PolarHBondContact O-N 3.28Å; T265-F271 HydrophobicContact CG2-CE1 3.87Å; T265-F271 HydrophobicContact CG2-CZ 3.85Å; T265-F271 WeakPolarHBondContact O-CE1 3.39Å; T265-V443 HydrophobicContact CG2-CG2 3.99Å
266	S	90.9	Very high	83	Confident	9 Å²	9	34 Å²	34	6%	0.063	17%	0.17	C	C	.	.	H	α-helix	trans	-66.6	-43.2	176.8	67	0	0	0	0	112.5	K262 E263 F268 G270 F271	K262-S266 VanDerWaalsContact O-CB 3.25Å; K262-S266 WeakPolarHBondContact O-CB 3.47Å; K262-S266 PolarHBondContact O-N 3Å; K262-S266 PolarHBondContact O-OG 3.27Å; E263-S266 PolarHBondContact O-N 3Å; E263-S266 PolarHBondContact O-OG 3.4Å; S266-F268 PolarHBondContact O-N 2.78Å; S266-G270 WeakPolarHBondContact O-CA 3.48Å; S266-G270 PolarHBondContact O-N 3.4Å; S266-F271 WeakPolarHBondContact CB-O 3.33Å
267	L	89.9	Confident	80.3	Confident	63 Å²	63	42.5 Å²	42.5	33%	0.33	21%	0.211	S	C	.	.	H	α-helix	trans	-63.1	-39.7	175.6	-73.8	173.8	0	0	0	112.4	R90 F94 F100 E263 Y264	R90-L267 VanDerWaalsContact CD-O 3.22Å; R90-L267 WeakPolarHBondContact CD-O 3.36Å; R90-L267 WeakPolarHBondContact CG-O 3.45Å; F94-L267 HydrophobicContact CD2-CB 4.14Å; F94-L267 HydrophobicContact CE2-CB 4.22Å; F100-L267 HydrophobicContact CE1-CD1 4.15Å; F100-L267 HydrophobicContact CE2-CD1 4.13Å; F100-L267 HydrophobicContact CZ-CD1 3.8Å; E263-L267 HydrophobicContact CG-CD1 3.93Å; E263-L267 HydrophobicContact CG-CG 4.48Å; E263-L267 WeakPolarHBondContact O-CB 3.23Å; E263-L267 VanDerWaalsContact O-CG 3.26Å; E263-L267 WeakPolarHBondContact O-CG 3.11Å; E263-L267 PolarHBondContact O-N 3.32Å; Y264-L267 PolarHBondContact O-N 3.15Å
268	F	93.8	Very high	77.8	Confident	1 Å²	1	45 Å²	45	0%	0.004	22%	0.224	C	C	.	.	H	α-helix	trans	-74.8	-47.6	-179	-175.8	-99.2	0	0	0	112.3	W52 L87 Q91 F94 M104 V107 L160 Y264 T265 S266	W52-F268 HydrophobicContact CB-CE1 4.27Å; W52-F268 HydrophobicContact CB-CZ 4.23Å; W52-F268 AromaticContact CD2-CE1 3.62Å; W52-F268 HydrophobicContact CD2-CE1 3.62Å; W52-F268 HydrophobicContact CD2-CZ 4.22Å; W52-F268 AromaticContact CE3-CE1 3.73Å; W52-F268 HydrophobicContact CE3-CE1 3.73Å; W52-F268 HydrophobicContact CE3-CZ 4.08Å; W52-F268 AromaticContact CG-CE1 3.88Å; W52-F268 HydrophobicContact CG-CE1 3.88Å; W52-F268 HydrophobicContact CG-CZ 4.31Å; W52-F268 HydrophobicContact CZ3-CE1 4.24Å; L87-F268 HydrophobicContact CD2-CE2 4.47Å; L87-F268 HydrophobicContact CD2-CZ 3.99Å; Q91-F268 HydrophobicContact CB-CD2 4.14Å; Q91-F268 HydrophobicContact CB-CE2 3.61Å; Q91-F268 HydrophobicContact CB-CZ 3.96Å; Q91-F268 HydrophobicContact CG-CD1 4.36Å; Q91-F268 HydrophobicContact CG-CD2 3.97Å; Q91-F268 HydrophobicContact CG-CE1 4.09Å; Q91-F268 HydrophobicContact CG-CE2 3.68Å; Q91-F268 HydrophobicContact CG-CG 4.3Å; Q91-F268 HydrophobicContact CG-CZ 3.73Å; Q91-F268 VanDerWaalsContact CG-O 3.23Å; Q91-F268 WeakPolarHBondContact CG-O 3.48Å; F94-F268 HydrophobicContact CB-CD2 4.06Å; F94-F268 AromaticContact CD1-CD2 3.63Å; F94-F268 HydrophobicContact CD1-CD2 3.63Å; F94-F268 HydrophobicContact CD1-CE2 4.35Å; F94-F268 HydrophobicContact CD2-CB 4.14Å; F94-F268 HydrophobicContact CD2-CD2 4.44Å; F94-F268 HydrophobicContact CE1-CD2 4.15Å; F94-F268 HydrophobicContact CE2-CB 4.2Å; F94-F268 HydrophobicContact CG-CB 4.34Å; F94-F268 AromaticContact CG-CD2 3.8Å; F94-F268 HydrophobicContact CG-CD2 3.8Å; F94-F268 HydrophobicContact CZ-CB 4.46Å; M104-F268 HydrophobicContact CE-CE2 4.49Å; M104-F268 HydrophobicContact SD-CE2 4.22Å; V107-F268 HydrophobicContact CG1-CD1 4.35Å; V107-F268 HydrophobicContact CG1-CE1 3.65Å; V107-F268 HydrophobicContact CG1-CE2 3.93Å; V107-F268 HydrophobicContact CG1-CZ 3.41Å; V107-F268 VanDerWaalsContact CG1-CZ 3.41Å; L160-F268 HydrophobicContact CD2-CB 4.44Å; L160-F268 HydrophobicContact CD2-CD1 3.62Å; L160-F268 HydrophobicContact CD2-CE1 4.32Å; L160-F268 HydrophobicContact CD2-CG 4.36Å; Y264-F268 VanDerWaalsContact O-CB 3.26Å; Y264-F268 WeakPolarHBondContact O-CB 3.1Å; Y264-F268 PolarHBondContact O-N 3.07Å; T265-F268 PolarHBondContact O-N 3.5Å; S266-F268 PolarHBondContact O-N 2.78Å
269	L	93.5	Very high	75	Confident	13 Å²	13	48.6 Å²	48.6	7%	0.068	25%	0.249	C	C	.	.	H	α-helix	trans	-87	-21.3	-175.8	-61.4	178.2	0	0	0	113.4	W52 L160 T265 F271 Y439	W52-L269 HydrophobicContact CZ2-CD2 3.97Å; L160-L269 HydrophobicContact CD2-CD1 3.85Å; L160-L269 HydrophobicContact CD2-CD2 4.15Å; L160-L269 HydrophobicContact CD2-CG 3.82Å; T265-L269 HydrophobicContact CG2-CD1 3.88Å; T265-L269 WeakPolarHBondContact O-CB 3.19Å; T265-L269 WeakPolarHBondContact O-CG 3.32Å; T265-L269 PolarHBondContact O-N 3.28Å; L269-F271 HydrophobicContact CB-CD1 3.76Å; L269-F271 HydrophobicContact CB-CE1 3.83Å; L269-F271 HydrophobicContact CD1-CE1 4.04Å; L269-F271 HydrophobicContact CG-CE1 4.44Å; L269-Y439 HydrophobicContact CB-CD2 3.96Å; L269-Y439 HydrophobicContact CB-CE2 4.04Å; L269-Y439 HydrophobicContact CB-CG 4.23Å; L269-Y439 HydrophobicContact CD1-CD1 3.67Å; L269-Y439 HydrophobicContact CD1-CE1 3.89Å; L269-Y439 HydrophobicContact CD1-CG 4.03Å; L269-Y439 HydrophobicContact CD2-CE1 4.1Å; L269-Y439 HydrophobicContact CD2-CE2 4.43Å; L269-Y439 HydrophobicContact CG-CE1 4.45Å
270	G	85.5	Confident	72.2	Confident	8 Å²	8	45.7 Å²	45.7	8%	0.082	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.2	35.1	173.4	0	0	0	0	0	115.4	S266 R436	S266-G270 WeakPolarHBondContact O-CA 3.48Å; S266-G270 PolarHBondContact O-N 3.4Å; G270-R436 PolarHBondContact O-NE 2.99Å
271	F	84.6	Confident	69.5	Low	10 Å²	10	50.7 Å²	50.7	4%	0.044	29%	0.285	C	S	.	.			trans	-100.4	157.1	162.7	66.6	-84.9	0	0	0	108.9	T265 S266 L269 R436 Y439 L440 V443	T265-F271 HydrophobicContact CG2-CE1 3.87Å; T265-F271 HydrophobicContact CG2-CZ 3.85Å; T265-F271 WeakPolarHBondContact O-CE1 3.39Å; S266-F271 WeakPolarHBondContact CB-O 3.33Å; L269-F271 HydrophobicContact CB-CD1 3.76Å; L269-F271 HydrophobicContact CB-CE1 3.83Å; L269-F271 HydrophobicContact CD1-CE1 4.04Å; L269-F271 HydrophobicContact CG-CE1 4.44Å; F271-R436 HydrophobicContact CB-CB 4Å; F271-R436 HydrophobicContact CB-CG 4.21Å; F271-R436 WeakPolarHBondContact CB-O 3.36Å; F271-Y439 VanDerWaalsContact CD1-CB 3.47Å; F271-Y439 HydrophobicContact CD1-CD2 4.34Å; F271-Y439 HydrophobicContact CD1-CG 4.19Å; F271-L440 HydrophobicContact CD2-CB 4.14Å; F271-L440 HydrophobicContact CD2-CD1 4.37Å; F271-L440 HydrophobicContact CE2-CD1 4.37Å; F271-V443 HydrophobicContact CE2-CG2 4.16Å; F271-V443 HydrophobicContact CZ-CG2 3.69Å
272	P	68.4	Low	66.8	Low	45 Å²	45	59.1 Å²	59.1	29%	0.292	33%	0.326	S	S	.	.			trans	-66.6	143.4	-178.4	10.2	-8.8	0	0	0	112.1	V274 Y406	P272-V274 VanDerWaalsContact C-N 3.33Å; P272-V274 HydrophobicContact CB-CG2 4.13Å; P272-V274 HydrophobicContact CG-CG2 4.4Å; P272-V274 PolarHBondContact O-N 2.68Å; P272-Y406 HydrophobicContact CB-CE1 4.27Å; P272-Y406 HydrophobicContact CG-CD1 3.67Å; P272-Y406 HydrophobicContact CG-CE1 3.2Å
273	N	61.5	Low	64.1	Low	71 Å²	71	64 Å²	64	38%	0.38	35%	0.349	S	S	.	.			trans	-78.2	83.6	175.1	-166.3	7.6	0	0	0	109.4
274	V	56.6	Low	61.2	Low	43 Å²	43	68.3 Å²	68.3	26%	0.261	38%	0.379	S	S	.	.			trans	-90.5	124.1	179.7	-173.6	0	0	0	0	109.4	P272 V276 L440	P272-V274 VanDerWaalsContact C-N 3.33Å; P272-V274 HydrophobicContact CB-CG2 4.13Å; P272-V274 HydrophobicContact CG-CG2 4.4Å; P272-V274 PolarHBondContact O-N 2.68Å; V274-V276 VanDerWaalsContact C-N 3.35Å; V274-V276 HydrophobicContact CB-CG2 4.28Å; V274-V276 HydrophobicContact CG1-CG2 3.88Å; V274-V276 PolarHBondContact O-N 3.25Å; V274-L440 HydrophobicContact CB-CD1 4.3Å; V274-L440 HydrophobicContact CG2-CD2 4.27Å
275	H	51.7	Low	58.2	Low	142 Å²	142	71.2 Å²	71.2	66%	0.657	39%	0.394	S	S	*	.			trans	-74.4	90.3	164.4	-75.4	-84.4	0	0	0	108.7	M277	H275-M277 PolarHBondContact O-N 3.03Å
276	V	45.6	Very low	55.3	Low	29 Å²	29	78.6 Å²	78.6	18%	0.176	43%	0.434	C	S	.	.			trans	-79.5	104	170.7	-175.7	0	0	0	0	107.3	V274 L278 L440 V444 P519	V274-V276 VanDerWaalsContact C-N 3.35Å; V274-V276 HydrophobicContact CB-CG2 4.28Å; V274-V276 HydrophobicContact CG1-CG2 3.88Å; V274-V276 PolarHBondContact O-N 3.25Å; V276-L278 VanDerWaalsContact C-N 3.34Å; V276-L278 HydrophobicContact CG1-CG 4.43Å; V276-L278 PolarHBondContact O-N 2.66Å; V276-L440 HydrophobicContact CG2-CD1 4.45Å; V276-V444 HydrophobicContact CB-CG2 4.15Å; V276-V444 HydrophobicContact CG1-CG2 4.34Å; V276-V444 HydrophobicContact CG2-CG2 3.82Å; V276-P519 HydrophobicContact CG2-CB 4.07Å; V276-P519 HydrophobicContact CG2-CG 4.46Å
277	M	36.1	Very low	52.3	Low	181 Å²	181	82.7 Å²	82.7	89%	0.892	46%	0.46	S	S	*	.			trans	-67.5	98.6	163.8	-79.5	-178.6	172.1	0	0	107.3	H275	H275-M277 PolarHBondContact O-N 3.03Å
278	L	40.9	Very low	49.5	Very low	63 Å²	63	86.7 Å²	86.7	33%	0.33	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-67.7	134.8	166.4	-78.1	150.7	0	0	0	107.5	V276 V444 E447 A448	V276-L278 VanDerWaalsContact C-N 3.34Å; V276-L278 HydrophobicContact CG1-CG 4.43Å; V276-L278 PolarHBondContact O-N 2.66Å; L278-V444 HydrophobicContact CD1-CG1 4.3Å; L278-V444 HydrophobicContact CD2-CG1 3.94Å; L278-V444 HydrophobicContact CG-CG1 4.38Å; L278-E447 HydrophobicContact CD1-CB 4.22Å; L278-E447 HydrophobicContact CD1-CG 3.91Å; L278-A448 HydrophobicContact CD1-CB 3.85Å; L278-A448 HydrophobicContact CD2-CB 4.17Å
279	P	32.2	Very low	46.7	Very low	101 Å²	101	94.9 Å²	94.9	66%	0.656	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-56.2	137.9	167.4	24.2	-30.6	0	0	0	107.9
280	P	29.4	Very low	43.7	Very low	107 Å²	107	101.6 Å²	101.6	70%	0.695	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-53.9	144.9	173.5	23.6	-31.9	0	0	0	108.7	M282	P280-M282 PolarHBondContact O-N 2.9Å
281	P	35.3	Very low	41.1	Very low	123 Å²	123	106.7 Å²	106.7	80%	0.799	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-54.2	119.9	175.8	22.4	-30.7	0	0	0	108.1	E283	P281-E283 PolarHBondContact O-N 3.46Å; P281-E283 VanDerWaalsContact O-N 3.16Å
282	M	36.7	Very low	38.8	Very low	176 Å²	176	114.4 Å²	114.4	87%	0.867	64%	0.635	S	S	*	*			trans	-66.1	113.7	172.2	-73.8	178.7	67.6	0	0	107.4	P280 T284	P280-M282 PolarHBondContact O-N 2.9Å; M282-T284 PolarHBondContact O-N 3.49Å
283	E	34.6	Very low	37.2	Very low	118 Å²	118	120.1 Å²	120.1	55%	0.551	66%	0.658	S	S	*	*			trans	-62.6	114.7	165.3	-76.9	173.6	160.1	0	0	107.9	L217 P281 D285	L217-E283 WeakPolarHBondContact CB-OE2 3.47Å; P281-E283 PolarHBondContact O-N 3.46Å; P281-E283 VanDerWaalsContact O-N 3.16Å; E283-D285 PolarHBondContact O-N 3.42Å
284	T	29.4	Very low	35.8	Very low	132 Å²	132	123.5 Å²	123.5	81%	0.81	68%	0.676	S	S	*	*			trans	-86.6	82.6	168.6	50.8	0	0	0	0	108.3	M282	M282-T284 PolarHBondContact O-N 3.49Å
285	D	31.3	Very low	34.5	Very low	61 Å²	61	128.6 Å²	128.6	33%	0.326	70%	0.699	S	S	.	*			trans	-114.1	112.8	163.1	-71.6	-23.3	0	0	0	107.6	L217 E283	L217-D285 HydrophobicContact CD1-CB 4.18Å; E283-D285 PolarHBondContact O-N 3.42Å
286	N	32.5	Very low	33.8	Very low	155 Å²	155	128.1 Å²	128.1	83%	0.829	70%	0.701	S	S	*	*			trans	-132.3	85.6	163	-153.6	25.2	0	0	0	108.8
287	P	28.9	Very low	33.2	Very low	95 Å²	95	132.7 Å²	132.7	62%	0.617	72%	0.724	S	S	*	*			trans	-84.4	138.8	157.5	32.1	-23	0	0	0	107.9
288	N	31.5	Very low	33	Very low	147 Å²	147	131 Å²	131	79%	0.786	71%	0.714	S	S	*	*			trans	101.8	78.2	176.8	-49.4	-26	0	0	0	115.4
289	L	35.1	Very low	32.5	Very low	172 Å²	172	135 Å²	135	90%	0.901	74%	0.736	S	S	*	*			trans	-145.7	54.3	142	-157.2	74.7	0	0	0	110.4
290	D	29.4	Very low	32.4	Very low	155 Å²	155	140.6 Å²	140.6	83%	0.829	74%	0.744	S	S	*	*			trans	-107.2	138.1	156.5	-81.6	-35.5	0	0	0	107.4
291	S	30.6	Very low	32.3	Very low	114 Å²	114	145 Å²	145	80%	0.797	75%	0.748	S	S	*	*			trans	78.2	95.9	-176.1	78.5	0	0	0	0	116.7
292	I	36.2	Very low	32	Very low	173 Å²	173	147 Å²	147	89%	0.887	74%	0.744	S	S	*	*				-154.5	122.1	113.1	-88.6	148	0	0	0	106.9
293	Q	35	Very low	31.5	Very low	165 Å²	165	149.6 Å²	149.6	77%	0.771	75%	0.745	S	S	*	*			trans	-69.3	164.7	175.9	-71.7	159.9	-54.8	0	0	111.3
294	D	31.8	Very low	31.1	Very low	142 Å²	142	148.7 Å²	148.7	76%	0.759	75%	0.751	S	S	*	*			trans	97.7	109	147.9	-63.4	-23.3	0	0	0	120.6
295	M	31.2	Very low	30.9	Very low	150 Å²	150	148.7 Å²	148.7	74%	0.739	75%	0.751	S	S	*	*				90.9	103.1	125.7	-66.5	-100.1	-76.6	0	0	118.5
296	N	35.1	Very low	30.8	Very low	131 Å²	131	156.3 Å²	156.3	70%	0.701	78%	0.777	S	S	*	*			trans	83.7	116	135.8	-68.6	-20.8	0	0	0	120.1
297	N	33.2	Very low	30.4	Very low	125 Å²	125	153.3 Å²	153.3	67%	0.668	77%	0.768	S	S	*	*			trans	90.1	107.6	137.4	-97.5	-3.6	0	0	0	119.5
298	Q	32.4	Very low	30.3	Very low	147 Å²	147	152.2 Å²	152.2	69%	0.687	76%	0.763	S	S	*	*				55.9	90.9	125.1	-66.2	173.6	-0.6	0	0	115.2
299	N	31.1	Very low	30.2	Very low	147 Å²	147	153 Å²	153	79%	0.786	76%	0.761	S	S	*	*				176.6	127.1	95.8	-92.5	-47.8	0	0	0	112.4
300	R	28.9	Very low	29.8	Very low	217 Å²	217	151.9 Å²	151.9	82%	0.819	76%	0.761	S	S	*	*			trans	85	94.7	130.4	-157.9	174.9	-107.4	178	-5	118.4
301	Y	27.3	Very low	29.7	Very low	199 Å²	199	149.8 Å²	149.8	78%	0.78	75%	0.754	S	S	*	*				50.5	129.5	125.9	-75.9	-91.8	0	0	0	117.4
302	K	29.2	Very low	29.5	Very low	165 Å²	165	153.5 Å²	153.5	72%	0.717	76%	0.759	S	S	*	*			cis	-171.5	127.7	16.3	-129.6	167.3	-169.3	165.2	0	105.2
303	R	26.4	Very low	29.1	Very low	232 Å²	232	150.7 Å²	150.7	88%	0.875	76%	0.755	S	S	*	*				64.8	131	106.2	-168.7	-179.1	-104.6	-133.9	-1.6	114.7
304	S	27.1	Very low	28.7	Very low	99 Å²	99	146.9 Å²	146.9	69%	0.692	75%	0.747	S	S	*	*			cis	-167.1	148.3	-3.4	43.7	0	0	0	0	109.6
305	T	25.6	Very low	28.5	Very low	132 Å²	132	150 Å²	150	81%	0.81	75%	0.749	S	S	*	*			trans	-59	149.7	154.6	39.9	0	0	0	0	112.7
306	Y	27.5	Very low	28.3	Very low	221 Å²	221	149.4 Å²	149.4	87%	0.867	75%	0.749	S	S	*	*			trans	-132.6	108.9	149.9	-161.8	-96.6	0	0	0	108.5
307	S	24.5	Very low	27.9	Very low	92 Å²	92	148.7 Å²	148.7	64%	0.643	75%	0.749	S	S	*	*			trans	-101	154.4	163.6	178.5	0	0	0	0	107.5
308	S	26.9	Very low	27.8	Very low	72 Å²	72	148.7 Å²	148.7	50%	0.503	75%	0.754	S	S	.	*			trans	106.7	135.2	140.2	84.4	0	0	0	0	119.3
309	H	28.8	Very low	27.5	Very low	162 Å²	162	150.1 Å²	150.1	75%	0.75	76%	0.761	S	S	*	*			trans	75.2	97.9	155.6	-60.7	-62.3	0	0	0	120
310	V	27.7	Very low	27.5	Very low	150 Å²	150	151.2 Å²	151.2	91%	0.909	77%	0.765	S	S	*	*			trans	-88	98.6	149.3	178.5	0	0	0	0	107
311	T	27.9	Very low	27.3	Very low	111 Å²	111	145 Å²	145	68%	0.681	75%	0.754	S	S	*	*			trans	-102.6	126.4	158.3	43.9	0	0	0	0	107.9	S313	T311-S313 PolarHBondContact O-N 3.38Å
312	E	25	Very low	27.3	Very low	192 Å²	192	142 Å²	142	90%	0.897	75%	0.752	S	S	*	*			trans	-53.8	118.1	167.2	-71.1	172.2	135	0	0	109.9
313	S	28.5	Very low	27.3	Very low	114 Å²	114	141.6 Å²	141.6	80%	0.797	76%	0.755	S	S	*	*			trans	-172	149.5	143.2	37.5	0	0	0	0	111.5	T311	T311-S313 PolarHBondContact O-N 3.38Å
314	S	26.7	Very low	27.4	Very low	85 Å²	85	139.1 Å²	139.1	59%	0.594	75%	0.751	S	S	*	*			trans	-73.6	162.5	-173.5	49.6	0	0	0	0	115.3
315	Y	28.2	Very low	27.4	Very low	207 Å²	207	139.6 Å²	139.6	81%	0.812	75%	0.754	S	S	*	*			trans	74.2	141.9	168.4	-51.6	-79.7	0	0	0	113.7
316	D	27.2	Very low	27.5	Very low	137 Å²	137	138.6 Å²	138.6	73%	0.733	75%	0.75	S	S	*	*			cis	-159.4	161.3	10.8	-144.7	-29.6	0	0	0	108.7
317	T	26.8	Very low	27.6	Very low	116 Å²	116	137.1 Å²	137.1	71%	0.712	75%	0.748	S	S	*	*			trans	-51.3	142.4	175.9	15.3	0	0	0	0	115.8
318	T	29.2	Very low	27.6	Very low	125 Å²	125	141 Å²	141	77%	0.767	76%	0.756	S	S	*	*				177.7	128	116.9	42.6	0	0	0	0	112.5
319	E	27.4	Very low	27.8	Very low	177 Å²	177	144.5 Å²	144.5	83%	0.827	77%	0.769	S	S	*	*			trans	47.8	115.7	139.8	-59.9	-177	163.6	0	0	120.1
320	I	30.8	Very low	27.6	Very low	171 Å²	171	145.7 Å²	145.7	88%	0.877	78%	0.775	S	S	*	*				-159.2	113.7	114.9	-89	146.4	0	0	0	106.8
321	S	24.9	Very low	27.6	Very low	85 Å²	85	145.9 Å²	145.9	59%	0.594	77%	0.769	S	S	*	*			trans	-69.8	165.5	168.6	52.7	0	0	0	0	111.1
322	D	26.7	Very low	27.4	Very low	138 Å²	138	147.7 Å²	147.7	74%	0.738	78%	0.775	S	S	*	*			trans	80.2	103.6	157.3	-48.9	-44.5	0	0	0	117.4
323	M	28.6	Very low	27.7	Very low	156 Å²	156	144 Å²	144	77%	0.768	77%	0.765	S	S	*	*				176.8	121	114.6	-97.8	162.8	68.5	0	0	112.6
324	F	30.3	Very low	27.5	Very low	180 Å²	180	145.2 Å²	145.2	79%	0.789	76%	0.763	S	S	*	*			trans	115.9	91	150.1	-64.2	-66.8	0	0	0	119.4
325	S	27.1	Very low	27.7	Very low	108 Å²	108	150 Å²	150	76%	0.755	78%	0.775	S	S	*	*			trans	-70.5	168.2	153.3	-102.6	0	0	0	0	112.8
326	P	26.9	Very low	27.6	Very low	112 Å²	112	147.4 Å²	147.4	73%	0.727	78%	0.776	S	S	*	*			trans	-90.2	140.1	-158.6	35	-32.5	0	0	0	113.7	Q328	P326-Q328 PolarHBondContact O-N 3.01Å
327	F	28.8	Very low	27.9	Very low	190 Å²	190	147.6 Å²	147.6	83%	0.833	78%	0.782	S	S	*	*			trans	-82.8	106.4	170.4	-103.5	-86.8	0	0	0	111.1
328	Q	25.5	Very low	27.9	Very low	172 Å²	172	148.5 Å²	148.5	80%	0.804	78%	0.782	S	S	*	*			trans	-61.5	132.1	149.2	-88.9	150.4	-57.7	0	0	108.9	P326	P326-Q328 PolarHBondContact O-N 3.01Å
329	N	30.6	Very low	28	Very low	147 Å²	147	150.3 Å²	150.3	79%	0.786	79%	0.787	S	S	*	*			trans	-136	117.4	151	-97.4	-20.3	0	0	0	109.5
330	Q	24	Very low	28	Very low	186 Å²	186	152.7 Å²	152.7	87%	0.869	79%	0.789	S	S	*	*			trans	-67	130.5	166.8	-67	172	-11.7	0	0	108.5
331	I	29.1	Very low	28.1	Very low	155 Å²	155	151.2 Å²	151.2	80%	0.795	79%	0.787	S	S	*	*			trans	-128.3	103	155.7	-62.8	-178.4	0	0	0	106.5	V333	I331-V333 HydrophobicContact CG2-CG2 4.01Å
332	N	23.9	Very low	28.2	Very low	148 Å²	148	156.9 Å²	156.9	79%	0.791	80%	0.795	S	S	*	*			trans	-66.4	125.7	160.4	-102.3	-16.9	0	0	0	108.3
333	V	30	Very low	28.5	Very low	116 Å²	116	158.8 Å²	158.8	70%	0.703	80%	0.8	S	S	*	*			trans	-136.1	103.1	150.3	-172	0	0	0	0	107.1	I331	I331-V333 HydrophobicContact CG2-CG2 4.01Å
334	N	24.1	Very low	28.7	Very low	139 Å²	139	158.9 Å²	158.9	74%	0.743	80%	0.798	S	S	*	*			trans	-69.8	132.8	157.8	-83.1	-22.5	0	0	0	107.5
335	E	31	Very low	28.5	Very low	184 Å²	184	158.4 Å²	158.4	86%	0.86	80%	0.804	S	S	*	*			trans	-155.1	113.8	146	-116	167.5	-167.5	0	0	109.7
336	N	26.9	Very low	28.8	Very low	154 Å²	154	158.1 Å²	158.1	82%	0.824	80%	0.8	S	S	*	*			trans	-74.8	133.4	170.9	-64.4	-46.1	0	0	0	108.9
337	V	32.5	Very low	29	Very low	140 Å²	140	160.6 Å²	160.6	85%	0.848	81%	0.807	S	S	*	*			trans	-146.8	114.8	144.9	-177.7	0	0	0	0	108
338	D	27.9	Very low	29.2	Very low	136 Å²	136	160 Å²	160	73%	0.727	81%	0.807	S	S	*	*			trans	-57.1	141.6	164.4	-96.3	-53.9	0	0	0	110.6
339	D	31.5	Very low	29.4	Very low	163 Å²	163	160.4 Å²	160.4	87%	0.872	81%	0.809	S	S	*	*			trans	-163.5	127.1	132.8	-99.1	-28.7	0	0	0	111.7
340	R	27.5	Very low	29.4	Very low	227 Å²	227	160.3 Å²	160.3	86%	0.857	81%	0.806	S	S	*	*			trans	-89.5	123.6	179.4	-66.3	173.7	-177.7	174.5	0.6	109.3
341	V	31.9	Very low	29.6	Very low	139 Å²	139	160.4 Å²	160.4	84%	0.842	81%	0.807	S	S	*	*			trans	-145.2	137.7	151.6	-174.7	0	0	0	0	109.6
342	R	26.5	Very low	29.8	Very low	204 Å²	204	161.5 Å²	161.5	77%	0.77	81%	0.809	S	S	*	*			trans	-114.6	120.2	-170.5	161.8	-165.4	177.5	158.3	0.4	108.1	E344	R342-E344 IonicContact NE-OE1 2.62Å; R342-E344 IonicContact NH2-OE1 2.66Å
343	E	33.1	Very low	30	Very low	179 Å²	179	161 Å²	161	84%	0.836	81%	0.806	S	S	*	*			trans	-156.3	104.9	163.3	-63.3	-174.1	156.6	0	0	105.7
344	E	32.7	Very low	30	Very low	157 Å²	157	164.2 Å²	164.2	73%	0.734	81%	0.814	S	S	*	*				61.7	92.1	81.6	-70.7	-176	-165	0	0	114.1	R342	R342-E344 IonicContact NE-OE1 2.62Å; R342-E344 IonicContact NH2-OE1 2.66Å
345	D	28.1	Very low	30.3	Very low	170 Å²	170	161.2 Å²	161.2	91%	0.909	82%	0.816	S	S	*	*			trans	-96.2	136.4	166.7	-86.2	-38.2	0	0	0	109.5
346	P	31.8	Very low	30.3	Very low	102 Å²	102	161.9 Å²	161.9	66%	0.662	82%	0.818	S	S	*	*			trans	-121.5	140.4	149	34.3	-21.6	0	0	0	111.1
347	D	32.1	Very low	30.7	Very low	164 Å²	164	162.1 Å²	162.1	88%	0.877	82%	0.82	S	S	*	*				178	110.3	127	-80	-19.6	0	0	0	111
348	E	33.3	Very low	30.6	Very low	178 Å²	178	163.3 Å²	163.3	83%	0.832	82%	0.822	S	S	*	*			trans	-64	140.1	172.2	-79.4	169.8	151.5	0	0	112.3
349	E	28.2	Very low	31.2	Very low	180 Å²	180	161.4 Å²	161.4	84%	0.841	82%	0.819	S	S	*	*				46	112.2	106.7	-71.4	-175.5	180	0	0	116.5
350	I	32	Very low	31.4	Very low	145 Å²	145	163.5 Å²	163.5	74%	0.744	82%	0.823	S	S	*	*			trans	-137	106.5	143.9	-60.5	-177.7	0	0	0	107.7	E352	I350-E352 HydrophobicContact CG2-CG 3.84Å
351	E	28.4	Very low	32.1	Very low	189 Å²	189	159.7 Å²	159.7	88%	0.883	82%	0.818	S	S	*	*			trans	-77.7	128.8	153	-70.6	-175.4	153.9	0	0	107.7
352	E	32.2	Very low	32.4	Very low	178 Å²	178	157.9 Å²	157.9	83%	0.832	80%	0.804	S	S	*	*			trans	-125.7	117.5	161.4	-85.2	-179.5	-176.1	0	0	109	I350	I350-E352 HydrophobicContact CG2-CG 3.84Å
353	N	28.3	Very low	33.1	Very low	138 Å²	138	154.6 Å²	154.6	74%	0.738	80%	0.802	S	S	*	*			trans	-84.9	148.2	173.5	-110.7	-15.5	0	0	0	110
354	E	29	Very low	33.9	Very low	183 Å²	183	149.5 Å²	149.5	86%	0.855	79%	0.786	S	S	*	*			trans	73	130.1	144.4	-65.3	173.7	-169.5	0	0	120.3
355	G	31.2	Very low	34.4	Very low	76 Å²	76	149.4 Å²	149.4	78%	0.784	78%	0.783	S	S	*	*			trans	159.3	73.3	169	0	0	0	0	0	112.1	D357	G355-D357 PolarHBondContact O-N 3.34Å
356	E	30.8	Very low	34.9	Very low	197 Å²	197	146.3 Å²	146.3	92%	0.921	77%	0.766	S	S	*	*			trans	-58.2	121.5	158.1	-82.5	171.8	150.2	0	0	108.7
357	D	34.7	Very low	35.3	Very low	160 Å²	160	148.8 Å²	148.8	86%	0.856	77%	0.767	S	S	*	*			trans	-147.6	113.9	154.4	-139.5	-3.8	0	0	0	109.1	G355 S359	G355-D357 PolarHBondContact O-N 3.34Å; D357-S359 PolarHBondContact O-N 3.36Å
358	D	31	Very low	35.8	Very low	165 Å²	165	148.2 Å²	148.2	88%	0.882	76%	0.759	S	S	*	*			trans	-73.9	113.2	-179.4	-73.8	-43.8	0	0	0	109.5
359	S	41.5	Very low	36.1	Very low	96 Å²	96	145.3 Å²	145.3	67%	0.671	75%	0.748	S	S	*	*			trans	-141.4	121.4	160.1	64.5	0	0	0	0	110.3	D357 I361	D357-S359 PolarHBondContact O-N 3.36Å; S359-I361 PolarHBondContact O-N 3.12Å; S359-I361 VanDerWaalsContact O-N 3.11Å
360	E	34	Very low	36.7	Very low	206 Å²	206	141 Å²	141	96%	0.963	73%	0.728	S	S	*	*			trans	-55.4	109.9	174	-81.1	175.4	130.5	0	0	110
361	I	42.7	Very low	37.2	Very low	147 Å²	147	138.9 Å²	138.9	75%	0.754	72%	0.715	S	S	*	*			trans	-93.2	111.7	172.4	-63.6	174.9	0	0	0	108.7	S359 D363	S359-I361 PolarHBondContact O-N 3.12Å; S359-I361 VanDerWaalsContact O-N 3.11Å; I361-D363 PolarHBondContact O-N 3.47Å
362	D	39.4	Very low	37.9	Very low	102 Å²	102	135.2 Å²	135.2	55%	0.545	70%	0.697	S	S	.	*			trans	-42.3	112.3	173.4	174.4	13.3	0	0	0	113.9	S364 K365	D362-S364 PolarHBondContact O-N 3.35Å; D362-S364 VanDerWaalsContact OD1-CB 3.27Å; D362-S364 WeakPolarHBondContact OD1-CB 3.23Å; D362-S364 PolarHBondContact OD1-N 2.65Å; D362-S364 PolarHBondContact OD1-OG 3.07Å; D362-S364 PolarHBondContact OD2-OG 2.88Å; D362-K365 PolarHBondContact O-N 3.07Å
363	D	40.7	Very low	38.2	Very low	134 Å²	134	135.1 Å²	135.1	72%	0.717	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.9	-13.2	179.3	-94.7	-29.4	0	0	0	114.2	I361	I361-D363 PolarHBondContact O-N 3.47Å
364	S	49.1	Very low	38.9	Very low	73 Å²	73	131.7 Å²	131.7	51%	0.51	68%	0.675	S	S	.	*	H	α-helix	trans	-72.6	-26	179.6	79.8	0	0	0	0	113.9	D362	D362-S364 PolarHBondContact O-N 3.35Å; D362-S364 VanDerWaalsContact OD1-CB 3.27Å; D362-S364 WeakPolarHBondContact OD1-CB 3.23Å; D362-S364 PolarHBondContact OD1-N 2.65Å; D362-S364 PolarHBondContact OD1-OG 3.07Å; D362-S364 PolarHBondContact OD2-OG 2.88Å
365	K	43.7	Very low	39.6	Very low	154 Å²	154	126.2 Å²	126.2	67%	0.67	65%	0.651	S	S	*	*	H	α-helix	trans	-87.5	-17.9	179.8	-84.7	177.3	178.6	170.9	0	114.2	D362 F367	D362-K365 PolarHBondContact O-N 3.07Å; K365-F367 VanDerWaalsContact C-N 3.28Å; K365-F367 PolarHBondContact O-N 3.46Å
366	L	39	Very low	40.2	Very low	106 Å²	106	130.5 Å²	130.5	56%	0.555	64%	0.644	S	S	*	*	H	α-helix	trans	-67.5	-32	176	-165.3	67.6	0	0	0	111.2	Q370	L366-Q370 VanDerWaalsContact O-CB 3.27Å; L366-Q370 WeakPolarHBondContact O-CB 3.21Å; L366-Q370 PolarHBondContact O-N 2.79Å; L366-Q370 VanDerWaalsContact O-N 3.15Å
367	F	39.6	Very low	40.7	Very low	153 Å²	153	127.5 Å²	127.5	67%	0.671	62%	0.624	S	S	*	*	H	α-helix	trans	-69.8	-36	-179.3	-136.1	-89.7	0	0	0	113.4	K365 H371	K365-F367 VanDerWaalsContact C-N 3.28Å; K365-F367 PolarHBondContact O-N 3.46Å; F367-H371 PolarHBondContact O-N 2.89Å; F367-H371 VanDerWaalsContact O-N 3.08Å
368	H	43.1	Very low	41.1	Very low	153 Å²	153	126.9 Å²	126.9	71%	0.708	61%	0.61	S	S	*	*	H	α-helix	trans	-75.7	-40.1	-178.2	-114.7	-68.9	0	0	0	112.7	Q370 H371 E372	H368-Q370 VanDerWaalsContact C-N 3.33Å; H368-H371 PolarHBondContact O-N 3.3Å; H368-E372 PolarHBondContact O-N 2.85Å
369	L	39.5	Very low	41.6	Very low	117 Å²	117	127 Å²	127	61%	0.613	60%	0.598	S	S	*	*	H	α-helix	trans	-69.1	-32.1	174.5	-77	162.1	0	0	0	112	Y373	L369-Y373 WeakPolarHBondContact O-CB 3.22Å; L369-Y373 PolarHBondContact O-N 2.96Å
370	Q	41.4	Very low	41.6	Very low	90 Å²	90	128.7 Å²	128.7	42%	0.421	60%	0.6	S	S	.	*	H	α-helix	trans	-69.8	-36.8	174.3	-154.4	120.6	3.1	0	0	111.9	L366 H368 T374	L366-Q370 VanDerWaalsContact O-CB 3.27Å; L366-Q370 WeakPolarHBondContact O-CB 3.21Å; L366-Q370 PolarHBondContact O-N 2.79Å; L366-Q370 VanDerWaalsContact O-N 3.15Å; H368-Q370 VanDerWaalsContact C-N 3.33Å; Q370-T374 VanDerWaalsContact O-CB 3.3Å; Q370-T374 WeakPolarHBondContact O-CB 3.36Å; Q370-T374 WeakPolarHBondContact O-CG2 3.14Å; Q370-T374 PolarHBondContact O-N 3.18Å; Q370-T374 PolarHBondContact O-OG1 3.36Å
371	H	42.6	Very low	41.8	Very low	99 Å²	99	124.2 Å²	124.2	46%	0.458	58%	0.581	S	S	.	*	H	α-helix	trans	-67.4	-42.5	174.5	-111.3	-75.7	0	0	0	112	F367 H368 T374 D375	F367-H371 PolarHBondContact O-N 2.89Å; F367-H371 VanDerWaalsContact O-N 3.08Å; H368-H371 PolarHBondContact O-N 3.3Å; H371-T374 WeakPolarHBondContact CA-OG1 3.34Å; H371-T374 PolarHBondContact O-N 3.18Å; H371-T374 PolarHBondContact O-OG1 3.49Å; H371-T374 VanDerWaalsContact O-OG1 3.05Å; H371-D375 WeakPolarHBondContact O-CB 3.49Å; H371-D375 PolarHBondContact O-N 3.41Å
372	E	42	Very low	41.5	Very low	112 Å²	112	122.8 Å²	122.8	52%	0.523	57%	0.571	S	S	.	*	H	α-helix	trans	-70.5	-38.4	-179.9	-163.5	175	179.8	0	0	112.6	H368 D375 R376	H368-E372 PolarHBondContact O-N 2.85Å; E372-D375 PolarHBondContact O-N 2.76Å; E372-R376 WeakPolarHBondContact O-CB 3.39Å; E372-R376 PolarHBondContact O-N 3Å
373	Y	39.7	Very low	41.1	Very low	177 Å²	177	126 Å²	126	69%	0.694	58%	0.58	S	S	*	*	H	α-helix	trans	-69.3	-36.6	175	-157.5	-88.8	0	0	0	112.1	L369 R377	L369-Y373 WeakPolarHBondContact O-CB 3.22Å; L369-Y373 PolarHBondContact O-N 2.96Å; Y373-R377 WeakPolarHBondContact O-CB 3.44Å; Y373-R377 PolarHBondContact O-N 3.07Å
374	T	42	Very low	40.5	Very low	66 Å²	66	124.8 Å²	124.8	41%	0.405	58%	0.578	S	S	.	*	H	α-helix	trans	-71.9	-37.4	174.3	53.8	0	0	0	0	111.9	Q370 H371 R377 R378	Q370-T374 VanDerWaalsContact O-CB 3.3Å; Q370-T374 WeakPolarHBondContact O-CB 3.36Å; Q370-T374 WeakPolarHBondContact O-CG2 3.14Å; Q370-T374 PolarHBondContact O-N 3.18Å; Q370-T374 PolarHBondContact O-OG1 3.36Å; H371-T374 WeakPolarHBondContact CA-OG1 3.34Å; H371-T374 PolarHBondContact O-N 3.18Å; H371-T374 PolarHBondContact O-OG1 3.49Å; H371-T374 VanDerWaalsContact O-OG1 3.05Å; T374-R377 PolarHBondContact O-N 3.28Å; T374-R378 VanDerWaalsContact O-CB 3.25Å; T374-R378 WeakPolarHBondContact O-CB 3.43Å; T374-R378 PolarHBondContact O-N 3.23Å
375	D	43.3	Very low	39.4	Very low	67 Å²	67	130.4 Å²	130.4	36%	0.358	59%	0.588	S	S	.	*	H	α-helix	trans	-71	-36.1	175.6	-97.9	-14.1	0	0	0	113.8	H371 E372 R377 R378 R379	H371-D375 WeakPolarHBondContact O-CB 3.49Å; H371-D375 PolarHBondContact O-N 3.41Å; E372-D375 PolarHBondContact O-N 2.76Å; D375-R377 VanDerWaalsContact C-N 3.28Å; D375-R377 PolarHBondContact O-N 2.93Å; D375-R378 PolarHBondContact O-N 2.86Å; D375-R379 WeakPolarHBondContact O-CB 3.26Å; D375-R379 WeakPolarHBondContact O-CG 3.13Å; D375-R379 PolarHBondContact O-N 3.42Å
376	R	43.5	Very low	38.6	Very low	167 Å²	167	127.9 Å²	127.9	63%	0.63	59%	0.59	S	S	*	*	H	α-helix	trans	-66	-34.9	174.5	-164.6	179.3	-91	-163.1	-2.8	110.8	E372 N380	E372-R376 WeakPolarHBondContact O-CB 3.39Å; E372-R376 PolarHBondContact O-N 3Å; R376-N380 PolarHBondContact O-N 3.38Å
377	R	41.8	Very low	38.1	Very low	133 Å²	133	131.2 Å²	131.2	50%	0.502	60%	0.596	S	S	.	*	H	α-helix	trans	-76.1	-34.2	173.4	-148.5	176	-167.8	172.3	4.4	112.7	Y373 T374 D375 N380 L381	Y373-R377 WeakPolarHBondContact O-CB 3.44Å; Y373-R377 PolarHBondContact O-N 3.07Å; T374-R377 PolarHBondContact O-N 3.28Å; D375-R377 VanDerWaalsContact C-N 3.28Å; D375-R377 PolarHBondContact O-N 2.93Å; R377-N380 PolarHBondContact O-N 2.98Å; R377-L381 HydrophobicContact CG-CD1 4.19Å; R377-L381 WeakPolarHBondContact O-CD1 3.34Å; R377-L381 PolarHBondContact O-N 3.26Å
378	R	42.9	Very low	37.5	Very low	148 Å²	148	131.9 Å²	131.9	56%	0.558	60%	0.602	S	S	*	*	H	α-helix	trans	-64.8	-41.5	174.7	-150	175	-158.9	171.4	4.1	111.3	T374 D375 N380 L381 H382	T374-R378 VanDerWaalsContact O-CB 3.25Å; T374-R378 WeakPolarHBondContact O-CB 3.43Å; T374-R378 PolarHBondContact O-N 3.23Å; D375-R378 PolarHBondContact O-N 2.86Å; R378-N380 VanDerWaalsContact C-N 3.29Å; R378-N380 PolarHBondContact O-N 2.88Å; R378-L381 PolarHBondContact O-N 3.1Å; R378-H382 VanDerWaalsContact O-CB 3.26Å; R378-H382 WeakPolarHBondContact O-CB 3.24Å; R378-H382 PolarHBondContact O-CD2 3.42Å; R378-H382 PolarHBondContact O-N 3.42Å
379	R	42.1	Very low	36.8	Very low	168 Å²	168	129.1 Å²	129.1	63%	0.634	60%	0.599	S	S	*	*	H	α-helix	trans	-60.9	-34.3	173.2	-78	-176.4	-85.4	-173	-5.8	113	D375	D375-R379 WeakPolarHBondContact O-CB 3.26Å; D375-R379 WeakPolarHBondContact O-CG 3.13Å; D375-R379 PolarHBondContact O-N 3.42Å
380	N	41.1	Very low	36.3	Very low	131 Å²	131	129.4 Å²	129.4	70%	0.701	61%	0.606	S	S	*	*	H	α-helix	trans	-82.3	-24.8	176.1	-70.8	-17.6	0	0	0	113.7	R376 R377 R378	R376-N380 PolarHBondContact O-N 3.38Å; R377-N380 PolarHBondContact O-N 2.98Å; R378-N380 VanDerWaalsContact C-N 3.29Å; R378-N380 PolarHBondContact O-N 2.88Å
381	L	38.7	Very low	35.7	Very low	111 Å²	111	127 Å²	127	58%	0.581	60%	0.601	S	S	*	*	H	α-helix	trans	-83.9	-23.7	171	-98.1	93.5	0	0	0	113.6	R377 R378 K383	R377-L381 HydrophobicContact CG-CD1 4.19Å; R377-L381 WeakPolarHBondContact O-CD1 3.34Å; R377-L381 PolarHBondContact O-N 3.26Å; R378-L381 PolarHBondContact O-N 3.1Å; L381-K383 VanDerWaalsContact C-N 3.28Å; L381-K383 PolarHBondContact O-N 2.89Å
382	H	35.5	Very low	35.1	Very low	117 Å²	117	129.7 Å²	129.7	54%	0.542	62%	0.615	S	S	.	*			trans	-86.9	19.3	177.2	-92.1	-95.2	0	0	0	114.1	R378 T384	R378-H382 VanDerWaalsContact O-CB 3.26Å; R378-H382 WeakPolarHBondContact O-CB 3.24Å; R378-H382 PolarHBondContact O-CD2 3.42Å; R378-H382 PolarHBondContact O-N 3.42Å; H382-T384 PolarHBondContact O-N 3.16Å
383	K	32.8	Very low	34.5	Very low	169 Å²	169	130.3 Å²	130.3	74%	0.735	63%	0.626	S	S	*	*			trans	-68.4	74.3	153.8	-122.3	179	-175.8	179.3	0	107.5	L381 W385	L381-K383 VanDerWaalsContact C-N 3.28Å; L381-K383 PolarHBondContact O-N 2.89Å; K383-W385 PolarHBondContact O-N 3.32Å
384	T	28.1	Very low	34	Very low	110 Å²	110	130.6 Å²	130.6	68%	0.675	64%	0.64	S	S	*	*			trans	-59.5	105.7	165.1	46.4	0	0	0	0	106	H382 S386	H382-T384 PolarHBondContact O-N 3.16Å; T384-S386 VanDerWaalsContact C-N 3.33Å; T384-S386 PolarHBondContact O-N 2.81Å
385	W	24.9	Very low	33.4	Very low	191 Å²	191	136 Å²	136	72%	0.723	66%	0.657	S	S	*	*			trans	-71.3	97.9	167.9	-82.9	67.6	0	0	0	107.1	K383 Y387 M405	K383-W385 PolarHBondContact O-N 3.32Å; W385-Y387 PolarHBondContact O-N 3.46Å; W385-M405 HydrophobicContact CD2-CE 4.09Å; W385-M405 HydrophobicContact CG-CE 4.31Å; W385-M405 HydrophobicContact CZ2-CE 3.66Å; W385-M405 HydrophobicContact CZ2-SD 4.45Å
386	S	26.1	Very low	32.7	Very low	101 Å²	101	143.4 Å²	143.4	71%	0.706	68%	0.682	S	S	*	*			trans	-63.3	101	161.1	53.8	0	0	0	0	107.2	T384 Q388	T384-S386 VanDerWaalsContact C-N 3.33Å; T384-S386 PolarHBondContact O-N 2.81Å; S386-Q388 PolarHBondContact O-N 2.73Å
387	Y	28.9	Very low	32	Very low	175 Å²	175	140 Å²	140	69%	0.686	68%	0.681	S	S	*	*			trans	-71.4	99.6	164.7	-163.1	-94.6	0	0	0	106.8	W385 S389	W385-Y387 PolarHBondContact O-N 3.46Å; Y387-S389 PolarHBondContact O-N 2.9Å; Y387-S389 VanDerWaalsContact O-N 3.11Å
388	Q	28.2	Very low	31.5	Very low	168 Å²	168	137.6 Å²	137.6	79%	0.785	69%	0.685	S	S	*	*			trans	-62.1	110.1	159.3	-96.7	167.3	-32.1	0	0	106.1	S386 T390	S386-Q388 PolarHBondContact O-N 2.73Å; Q388-T390 VanDerWaalsContact C-N 3.33Å; Q388-T390 PolarHBondContact O-N 3.06Å
389	S	28	Very low	31.3	Very low	94 Å²	94	133.2 Å²	133.2	66%	0.657	67%	0.669	S	S	*	*			trans	-61.8	99.8	168.6	54.6	0	0	0	0	107.7	Y387 A391	Y387-S389 PolarHBondContact O-N 2.9Å; Y387-S389 VanDerWaalsContact O-N 3.11Å; S389-A391 PolarHBondContact O-N 3.3Å
390	T	29.1	Very low	31.1	Very low	124 Å²	124	127.6 Å²	127.6	76%	0.761	66%	0.656	S	S	*	*			trans	-71.9	82.4	156.6	53.7	0	0	0	0	106.2	Q388 Q392	Q388-T390 VanDerWaalsContact C-N 3.33Å; Q388-T390 PolarHBondContact O-N 3.06Å; T390-Q392 PolarHBondContact O-N 3.49Å; T390-Q392 VanDerWaalsContact O-N 3.09Å
391	A	28	Very low	30.7	Very low	38 Å²	38	125.1 Å²	125.1	31%	0.314	65%	0.649	S	S	.	*			trans	-70.1	99.3	167.9	0	0	0	0	0	106.9	Y210 S389	Y210-A391 HydrophobicContact CD2-CB 4.46Å; Y210-A391 HydrophobicContact CE1-CB 3.81Å; Y210-A391 HydrophobicContact CE2-CB 3.55Å; Y210-A391 WeakPolarHBondContact OH-CB 3.49Å; Y210-A391 PolarHBondContact OH-O 3.24Å; S389-A391 PolarHBondContact O-N 3.3Å
392	Q	29.8	Very low	30.7	Very low	157 Å²	157	121.7 Å²	121.7	73%	0.734	64%	0.636	S	S	*	*			trans	171.8	131.7	152.3	-94.3	154.3	17	0	0	107.6	T390	T390-Q392 PolarHBondContact O-N 3.49Å; T390-Q392 VanDerWaalsContact O-N 3.09Å
393	T	30.4	Very low	30.9	Very low	125 Å²	125	117.9 Å²	117.9	77%	0.767	62%	0.619	S	S	*	*			trans	90.5	115.3	178.6	80.2	0	0	0	0	116.3	K395	T393-K395 PolarHBondContact O-N 2.89Å
394	N	29.4	Very low	31.1	Very low	183 Å²	183	117.6 Å²	117.6	98%	0.979	62%	0.62	S	S	*	*			trans	-62.6	75.4	167	-80.7	-26.8	0	0	0	110.7
395	K	28.9	Very low	31.4	Very low	179 Å²	179	116.7 Å²	116.7	78%	0.778	61%	0.609	S	S	*	*			trans	-141	106	174.6	-151	172.2	-173.4	177.8	0	108.9	T393	T393-K395 PolarHBondContact O-N 2.89Å
396	Y	28.1	Very low	32	Very low	222 Å²	222	112 Å²	112	87%	0.871	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-50.4	127.3	173.6	-74.8	-90.4	0	0	0	109.6	S398	Y396-S398 PolarHBondContact O-N 3Å
397	P	28.8	Very low	32.5	Very low	95 Å²	95	112.9 Å²	112.9	62%	0.617	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-64.9	132.7	173.6	26.1	-30.2	0	0	0	108.8
398	S	32.4	Very low	32.8	Very low	84 Å²	84	108.5 Å²	108.5	59%	0.587	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-64.1	139.6	-179.2	63.2	0	0	0	0	111.1	Y396 S400 S401	Y396-S398 PolarHBondContact O-N 3Å; S398-S400 PolarHBondContact O-N 3.39Å; S398-S400 PolarHBondContact OG-OG 3.47Å; S398-S401 PolarHBondContact O-N 3.46Å; S398-S401 PolarHBondContact O-OG 3.29Å
399	Y	38.8	Very low	33.5	Very low	56 Å²	56	107.6 Å²	107.6	22%	0.22	58%	0.583	C	S	.	*	T	Hydrogen-bonded Turn	trans	-52.2	-16.1	-177.8	-167.5	-95	0	0	0	115.6	S401 A402 Q403 V516 V517 P519	Y399-S401 VanDerWaalsContact C-N 3.31Å; Y399-S401 PolarHBondContact O-N 2.9Å; Y399-A402 PolarHBondContact O-N 3.25Å; Y399-Q403 PolarHBondContact O-N 3.23Å; Y399-V516 HydrophobicContact CD1-CB 4.19Å; Y399-V516 HydrophobicContact CD1-CG1 3.24Å; Y399-V516 HydrophobicContact CE1-CG1 3.31Å; Y399-V516 HydrophobicContact CG-CG1 4.02Å; Y399-V517 WeakPolarHBondContact CE2-O 2.74Å; Y399-V517 PolarHBondContact OH-O 3.22Å; Y399-P519 HydrophobicContact CE2-CG 4.07Å
400	S	36.8	Very low	34.1	Very low	50 Å²	50	109.5 Å²	109.5	35%	0.35	59%	0.586	S	S	.	*	H	α-helix	trans	-64.5	-26.5	-178.9	69.5	0	0	0	0	114.8	S398 Q403 Q404	S398-S400 PolarHBondContact O-N 3.39Å; S398-S400 PolarHBondContact OG-OG 3.47Å; S400-Q403 WeakPolarHBondContact O-CB 3.4Å; S400-Q403 PolarHBondContact O-N 3.04Å; S400-Q404 PolarHBondContact O-N 3.19Å
401	S	34.2	Very low	34.4	Very low	79 Å²	79	108 Å²	108	55%	0.552	57%	0.573	S	S	*	*	H	α-helix	trans	-74.6	-29.2	179	60.2	0	0	0	0	112.7	S398 Y399 Q403	S398-S401 PolarHBondContact O-N 3.46Å; S398-S401 PolarHBondContact O-OG 3.29Å; Y399-S401 VanDerWaalsContact C-N 3.31Å; Y399-S401 PolarHBondContact O-N 2.9Å; S401-Q403 VanDerWaalsContact C-N 3.33Å
402	A	37	Very low	34.6	Very low	39 Å²	39	114.7 Å²	114.7	32%	0.322	60%	0.603	S	S	.	*	H	α-helix	trans	-68.8	-38.1	169.6	0	0	0	0	0	110.2	Y399 M405 Y406	Y399-A402 PolarHBondContact O-N 3.25Å; A402-M405 WeakPolarHBondContact O-CB 3.41Å; A402-M405 PolarHBondContact O-N 2.04Å; A402-Y406 HydrophobicContact CB-CE2 4.47Å; A402-Y406 WeakPolarHBondContact O-CD2 3.22Å; A402-Y406 WeakPolarHBondContact O-CE2 3.25Å
403	Q	39.6	Very low	34.8	Very low	37 Å²	37	111.8 Å²	111.8	17%	0.173	59%	0.593	C	S	.	*	H	α-helix	trans	-64.2	-39.9	-178.2	-137.2	76.1	-2.2	0	0	113.5	Y399 S400 S401 M405 Y406 E501	Y399-Q403 PolarHBondContact O-N 3.23Å; S400-Q403 WeakPolarHBondContact O-CB 3.4Å; S400-Q403 PolarHBondContact O-N 3.04Å; S401-Q403 VanDerWaalsContact C-N 3.33Å; Q403-M405 PolarHBondContact O-N 2.95Å; Q403-M405 VanDerWaalsContact O-N 3.12Å; Q403-Y406 VanDerWaalsContact CA-CD2 3.45Å; Q403-Y406 WeakPolarHBondContact O-CB 3.41Å; Q403-Y406 WeakPolarHBondContact O-CD2 3.48Å; Q403-Y406 PolarHBondContact O-N 3.18Å; Q403-Y406 VanDerWaalsContact O-N 3.09Å; Q403-E501 HydrophobicContact CG-CG 3.88Å
404	Q	37.1	Very low	35.1	Very low	163 Å²	163	115.3 Å²	115.3	76%	0.762	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.1	-14.8	177.4	-72.2	179	7.1	0	0	113.4	S400	S400-Q404 PolarHBondContact O-N 3.19Å
405	M	34.4	Very low	35.6	Very low	91 Å²	91	114.3 Å²	114.3	45%	0.448	58%	0.583	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.2	-13.9	177.4	-145.6	167.9	-178.3	0	0	113.1	W385 A402 Q403 D407 S408	W385-M405 HydrophobicContact CD2-CE 4.09Å; W385-M405 HydrophobicContact CG-CE 4.31Å; W385-M405 HydrophobicContact CZ2-CE 3.66Å; W385-M405 HydrophobicContact CZ2-SD 4.45Å; A402-M405 WeakPolarHBondContact O-CB 3.41Å; A402-M405 PolarHBondContact O-N 2.04Å; Q403-M405 PolarHBondContact O-N 2.95Å; Q403-M405 VanDerWaalsContact O-N 3.12Å; M405-D407 PolarHBondContact O-N 3.04Å; M405-S408 PolarHBondContact O-OG 3.48Å
406	Y	38.7	Very low	35.9	Very low	92 Å²	92	112.9 Å²	112.9	36%	0.361	58%	0.583	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.6	-18.7	-174.3	-78.1	-101.7	0	0	0	114.8	P272 A402 Q403	P272-Y406 HydrophobicContact CB-CE1 4.27Å; P272-Y406 HydrophobicContact CG-CD1 3.67Å; P272-Y406 HydrophobicContact CG-CE1 3.2Å; A402-Y406 HydrophobicContact CB-CE2 4.47Å; A402-Y406 WeakPolarHBondContact O-CD2 3.22Å; A402-Y406 WeakPolarHBondContact O-CE2 3.25Å; Q403-Y406 VanDerWaalsContact CA-CD2 3.45Å; Q403-Y406 WeakPolarHBondContact O-CB 3.41Å; Q403-Y406 WeakPolarHBondContact O-CD2 3.48Å; Q403-Y406 PolarHBondContact O-N 3.18Å; Q403-Y406 VanDerWaalsContact O-N 3.09Å
407	D	36.9	Very low	36.5	Very low	119 Å²	119	107.9 Å²	107.9	64%	0.636	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.1	-5.3	-175.3	-83.7	-6.8	0	0	0	114	M405	M405-D407 PolarHBondContact O-N 3.04Å
408	S	34.7	Very low	37.5	Very low	83 Å²	83	113.3 Å²	113.3	58%	0.58	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.1	6.3	-167.2	60.7	0	0	0	0	116.6	M405	M405-S408 PolarHBondContact O-OG 3.48Å
409	I	42.6	Very low	38.6	Very low	149 Å²	149	117.9 Å²	117.9	76%	0.764	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.8	-1.8	-173	-57.7	-176.3	0	0	0	113.9
410	D	40.2	Very low	39.6	Very low	135 Å²	135	119.6 Å²	119.6	72%	0.722	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.8	2.7	176.5	-106.5	-25	0	0	0	115.8
411	D	36.2	Very low	41	Very low	93 Å²	93	124.5 Å²	124.5	50%	0.497	64%	0.635	S	S	.	*			trans	-135.2	73.9	-177	-81.9	-43	0	0	0	113	D413 R415	D411-D413 VanDerWaalsContact C-N 3.28Å; D411-R415 IonicContact OD1-NH1 3.89Å; D411-R415 PolarHBondContact OD1-NH1 3.2Å
412	N	32.6	Very low	43	Very low	178 Å²	178	124.4 Å²	124.4	95%	0.952	63%	0.634	S	S	*	*			trans	-96.9	31.5	160.9	-95.8	-10	0	0	0	111.3
413	D	33.8	Very low	44.7	Very low	95 Å²	95	131.6 Å²	131.6	51%	0.508	66%	0.658	S	S	.	*	S	Bend	trans	-107.4	117.8	173.5	-152.6	16.9	0	0	0	107.9	D411 R415	D411-D413 VanDerWaalsContact C-N 3.28Å; D413-R415 HydrophobicContact CB-CG 4.18Å; D413-R415 PolarHBondContact O-N 3.35Å; D413-R415 IonicContact OD2-CZ 2.87Å; D413-R415 IonicContact OD2-NE 2.8Å; D413-R415 PolarHBondContact OD2-NE 3.2Å; D413-R415 IonicContact OD2-NH2 3.72Å; D413-R415 PolarHBondContact OD2-NH2 3.43Å
414	E	35.3	Very low	46.4	Very low	200 Å²	200	133.6 Å²	133.6	94%	0.935	67%	0.667	S	S	*	*			trans	-65.8	77.7	-176.9	-162.6	170.8	-178.6	0	0	109.4
415	R	40.1	Very low	48.2	Very low	162 Å²	162	127 Å²	127	61%	0.611	64%	0.643	S	S	*	*			trans	-102.9	113.5	-168.6	-79.4	-178.5	-166.7	144.3	2.8	113.4	D411 D413	D411-R415 IonicContact OD1-NH1 3.89Å; D411-R415 PolarHBondContact OD1-NH1 3.2Å; D413-R415 HydrophobicContact CB-CG 4.18Å; D413-R415 PolarHBondContact O-N 3.35Å; D413-R415 IonicContact OD2-CZ 2.87Å; D413-R415 IonicContact OD2-NE 2.8Å; D413-R415 PolarHBondContact OD2-NE 3.2Å; D413-R415 IonicContact OD2-NH2 3.72Å; D413-R415 PolarHBondContact OD2-NH2 3.43Å
416	L	36.4	Very low	50.4	Low	149 Å²	149	129.8 Å²	129.8	78%	0.78	65%	0.648	S	S	*	*			trans	18.6	139.4	130	-71.7	142	0	0	0	117.8	R418	L416-R418 PolarHBondContact O-N 3.05Å; L416-R418 VanDerWaalsContact O-N 3.15Å
417	P	39.3	Very low	52.4	Low	117 Å²	117	130.8 Å²	130.8	76%	0.76	66%	0.655	S	S	*	*			trans	-53.7	122	-178.1	22.1	-32.1	0	0	0	111.9	H419	P417-H419 PolarHBondContact O-N 3.5Å; P417-H419 VanDerWaalsContact O-N 3.13Å
418	R	50.1	Low	54.6	Low	208 Å²	208	127.1 Å²	127.1	79%	0.785	63%	0.633	S	S	*	*			trans	-63.7	113.3	-176.5	-63.6	179.3	-161.4	175.2	2.6	110.5	L416	L416-R418 PolarHBondContact O-N 3.05Å; L416-R418 VanDerWaalsContact O-N 3.15Å
419	H	55.2	Low	56.9	Low	180 Å²	180	124.3 Å²	124.3	83%	0.833	61%	0.613	S	S	*	*			trans	-54.2	144.1	166.9	-64.5	-75.4	0	0	0	111.5	P417 R421	P417-H419 PolarHBondContact O-N 3.5Å; P417-H419 VanDerWaalsContact O-N 3.13Å; H419-R421 PolarHBondContact O-N 3.45Å
420	A	61.5	Low	59.1	Low	93 Å²	93	118.5 Å²	118.5	77%	0.769	58%	0.584	S	S	*	*			trans	-60	113.6	178.2	0	0	0	0	0	110.5	S422	A420-S422 PolarHBondContact O-N 2.99Å
421	R	64.7	Low	61.5	Low	152 Å²	152	112.8 Å²	112.8	57%	0.574	55%	0.553	S	S	*	*			trans	-60.1	136.4	-179.6	-71.1	-178.7	179.3	165.5	2	111.6	H419 R426	H419-R421 PolarHBondContact O-N 3.45Å; R421-R426 HydrophobicContact CB-CG 4.16Å; R421-R426 PolarHBondContact O-NE 3.17Å
422	S	76.1	Confident	64.1	Low	77 Å²	77	114.7 Å²	114.7	54%	0.538	55%	0.553	S	S	.	*			trans	-53.7	152.3	172.2	76	0	0	0	0	112.1	A420 Q424 G425 R426	A420-S422 PolarHBondContact O-N 2.99Å; S422-Q424 PolarHBondContact O-N 3.25Å; S422-Q424 VanDerWaalsContact O-N 3.14Å; S422-G425 WeakPolarHBondContact O-CA 3.4Å; S422-G425 PolarHBondContact O-N 3.36Å; S422-G425 PolarHBondContact OG-N 2.8Å; S422-R426 PolarHBondContact O-N 3.07Å
423	K	74.5	Confident	66.9	Low	191 Å²	191	108 Å²	108	83%	0.83	52%	0.52	S	S	*	.	H	α-helix	trans	-52.2	-38.2	177.7	-172.5	176.3	-177.2	175	0	112.3	K427	K423-K427 PolarHBondContact O-N 3.37Å; K423-K427 VanDerWaalsContact O-N 3.09Å
424	Q	75	Confident	69.7	Low	79 Å²	79	103.5 Å²	103.5	37%	0.369	50%	0.496	S	S	.	.	H	α-helix	trans	-69	-40.4	176.5	-164.9	-174.9	18.3	0	0	112	S422 K427 K428	S422-Q424 PolarHBondContact O-N 3.25Å; S422-Q424 VanDerWaalsContact O-N 3.14Å; Q424-K427 PolarHBondContact O-N 3.37Å; Q424-K428 WeakPolarHBondContact O-CG 3.34Å; Q424-K428 PolarHBondContact O-N 3.3Å
425	G	75	Confident	72.5	Confident	24 Å²	24	94.4 Å²	94.4	25%	0.247	45%	0.454	C	S	.	.	H	α-helix	trans	-60.1	-43.8	173.7	0	0	0	0	0	112.4	S422 K428 S429	S422-G425 WeakPolarHBondContact O-CA 3.4Å; S422-G425 PolarHBondContact O-N 3.36Å; S422-G425 PolarHBondContact OG-N 2.8Å; G425-K428 PolarHBondContact O-N 3.03Å; G425-S429 PolarHBondContact O-N 3.15Å
426	R	79	Confident	75	Confident	149 Å²	149	90.8 Å²	90.8	56%	0.562	44%	0.44	S	S	*	.	H	α-helix	trans	-61.1	-49.2	174.8	-67.8	-174.9	-177.2	-173.2	-2.4	112.1	R421 S422 K428 S429 L430	R421-R426 HydrophobicContact CB-CG 4.16Å; R421-R426 PolarHBondContact O-NE 3.17Å; S422-R426 PolarHBondContact O-N 3.07Å; R426-K428 VanDerWaalsContact C-N 3.29Å; R426-K428 PolarHBondContact O-N 2.76Å; R426-S429 WeakPolarHBondContact O-CA 3.48Å; R426-S429 WeakPolarHBondContact O-CB 3.48Å; R426-S429 PolarHBondContact O-N 2.92Å; R426-L430 PolarHBondContact O-N 2.9Å
427	K	82.1	Confident	77.7	Confident	113 Å²	113	84.5 Å²	84.5	49%	0.491	41%	0.407	S	S	.	.	H	α-helix	trans	-57.4	-41.2	176.2	-174.4	172.4	-177.1	168.6	0	112.3	K423 Q424 L431	K423-K427 PolarHBondContact O-N 3.37Å; K423-K427 VanDerWaalsContact O-N 3.09Å; Q424-K427 PolarHBondContact O-N 3.37Å; K427-L431 HydrophobicContact CG-CD1 4.26Å; K427-L431 WeakPolarHBondContact O-CG 3.47Å; K427-L431 PolarHBondContact O-N 2.74Å; K427-L431 VanDerWaalsContact O-N 3.1Å
428	K	81.5	Confident	80.4	Confident	42 Å²	42	79 Å²	79	18%	0.183	37%	0.371	C	S	.	.	H	α-helix	trans	-65.7	-38.1	176.5	-72.8	175.4	179.5	176.4	0	112.1	P46 V47 Q424 G425 R426 R432	P46-K428 HydrophobicContact CG-CD 4.41Å; V47-K428 HydrophobicContact CG2-CB 3.85Å; V47-K428 HydrophobicContact CG2-CG 3.89Å; Q424-K428 WeakPolarHBondContact O-CG 3.34Å; Q424-K428 PolarHBondContact O-N 3.3Å; G425-K428 PolarHBondContact O-N 3.03Å; R426-K428 VanDerWaalsContact C-N 3.29Å; R426-K428 PolarHBondContact O-N 2.76Å; K428-R432 PolarHBondContact O-N 2.82Å
429	S	83.5	Confident	82.6	Confident	24 Å²	24	69.4 Å²	69.4	17%	0.168	34%	0.335	C	S	.	.	H	α-helix	trans	-62.6	-52.7	175.1	-167.3	0	0	0	0	111.3	G425 R426 L431 R432 S433	G425-S429 PolarHBondContact O-N 3.15Å; R426-S429 WeakPolarHBondContact O-CA 3.48Å; R426-S429 WeakPolarHBondContact O-CB 3.48Å; R426-S429 PolarHBondContact O-N 2.92Å; S429-L431 PolarHBondContact O-N 2.84Å; S429-R432 WeakPolarHBondContact O-CB 3.48Å; S429-R432 PolarHBondContact O-N 2.89Å; S429-S433 PolarHBondContact O-N 3.01Å; S429-S433 PolarHBondContact O-OG 3.24Å
430	L	89.6	Confident	84.5	Confident	28 Å²	28	61.1 Å²	61.1	15%	0.147	30%	0.297	C	S	.	.	H	α-helix	trans	-55.5	-50.7	178.1	174.3	59.2	0	0	0	111.9	R426 R432 S433 L434 E496 L502	R426-L430 PolarHBondContact O-N 2.9Å; L430-R432 PolarHBondContact O-N 2.9Å; L430-S433 WeakPolarHBondContact O-CB 3.33Å; L430-S433 PolarHBondContact O-N 3.06Å; L430-L434 HydrophobicContact CD1-CD1 4.34Å; L430-L434 HydrophobicContact CD1-CD2 4.33Å; L430-L434 HydrophobicContact CD1-CG 4.09Å; L430-L434 HydrophobicContact CG-CD1 4.14Å; L430-L434 HydrophobicContact CG-CG 4.34Å; L430-L434 WeakPolarHBondContact O-CG 3.48Å; L430-L434 PolarHBondContact O-N 3.03Å; L430-E496 HydrophobicContact CD1-CB 4.27Å; L430-L502 HydrophobicContact CD1-CD2 3.8Å
431	L	91.2	Very high	86.1	Confident	14 Å²	14	56.8 Å²	56.8	7%	0.073	26%	0.261	C	S	.	.	H	α-helix	trans	-59.4	-33.1	179.1	-73.6	170.9	0	0	0	112.7	V47 K427 S429 L434 N435	V47-L431 HydrophobicContact CB-CB 4.31Å; V47-L431 HydrophobicContact CG1-CB 3.46Å; V47-L431 VanDerWaalsContact CG1-CB 3.46Å; V47-L431 HydrophobicContact CG1-CD1 4.49Å; K427-L431 HydrophobicContact CG-CD1 4.26Å; K427-L431 WeakPolarHBondContact O-CG 3.47Å; K427-L431 PolarHBondContact O-N 2.74Å; K427-L431 VanDerWaalsContact O-N 3.1Å; S429-L431 PolarHBondContact O-N 2.84Å; L431-L434 HydrophobicContact CD2-CD1 4.3Å; L431-N435 WeakPolarHBondContact O-CB 3.32Å; L431-N435 PolarHBondContact O-N 2.82Å; L431-N435 PolarHBondContact O-ND2 3.04Å; L431-N435 VanDerWaalsContact O-ND2 3.15Å
432	R	89	Confident	87.6	Confident	134 Å²	134	49.6 Å²	49.6	51%	0.506	23%	0.234	S	C	.	.	H	α-helix	trans	-66.8	-44.3	174	-175	-171.7	-62.3	166.6	-1.2	111	K428 S429 L430 N435 R436	K428-R432 PolarHBondContact O-N 2.82Å; S429-R432 WeakPolarHBondContact O-CB 3.48Å; S429-R432 PolarHBondContact O-N 2.89Å; L430-R432 PolarHBondContact O-N 2.9Å; R432-N435 PolarHBondContact O-N 3.13Å; R432-R436 WeakPolarHBondContact O-CG 3Å; R432-R436 PolarHBondContact O-N 3.4Å
433	S	91.2	Very high	88.5	Confident	36 Å²	36	46.1 Å²	46.1	25%	0.252	21%	0.21	S	C	.	.	H	α-helix	trans	-62.4	-45.8	176.5	-59.2	0	0	0	0	111.6	S429 L430 N435 R436 H437	S429-S433 PolarHBondContact O-N 3.01Å; S429-S433 PolarHBondContact O-OG 3.24Å; L430-S433 WeakPolarHBondContact O-CB 3.33Å; L430-S433 PolarHBondContact O-N 3.06Å; S433-N435 PolarHBondContact O-N 2.89Å; S433-R436 PolarHBondContact O-N 3.47Å; S433-H437 WeakPolarHBondContact O-CB 3.2Å; S433-H437 PolarHBondContact O-N 3.22Å
434	L	93.7	Very high	89.4	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-57	-49.1	174.8	-64.8	174.7	0	0	0	111.9	L430 L431 R436 H437 N438 V494 L502 V523 S525	L430-L434 HydrophobicContact CD1-CD1 4.34Å; L430-L434 HydrophobicContact CD1-CD2 4.33Å; L430-L434 HydrophobicContact CD1-CG 4.09Å; L430-L434 HydrophobicContact CG-CD1 4.14Å; L430-L434 HydrophobicContact CG-CG 4.34Å; L430-L434 WeakPolarHBondContact O-CG 3.48Å; L430-L434 PolarHBondContact O-N 3.03Å; L431-L434 HydrophobicContact CD2-CD1 4.3Å; L434-R436 PolarHBondContact O-N 2.88Å; L434-H437 PolarHBondContact O-N 3.46Å; L434-N438 WeakPolarHBondContact O-CB 3.41Å; L434-N438 VanDerWaalsContact O-CG 3.3Å; L434-N438 PolarHBondContact O-N 3.24Å; L434-N438 PolarHBondContact O-ND2 3.5Å; L434-V494 HydrophobicContact CD2-CG2 3.32Å; L434-L502 HydrophobicContact CD2-CD1 4.15Å; L434-L502 HydrophobicContact CD2-CD2 4.02Å; L434-V523 HydrophobicContact CD2-CB 4.19Å; L434-V523 HydrophobicContact CD2-CG2 3.69Å; L434-S525 WeakPolarHBondContact CD1-OG 3.28Å
435	N	93.9	Very high	90.3	Very high	9 Å²	9	33.8 Å²	33.8	5%	0.048	16%	0.156	C	C	.	.	H	α-helix	trans	-62.8	-41.9	-179.4	-71.5	-18.9	0	0	0	112.1	Q149 H153 L431 R432 S433 Y439	Q149-N435 PolarHBondContact NE2-ND2 3.06Å; Q149-N435 PolarHBondContact NE2-OD1 3.09Å; H153-N435 PolarHBondContact CE1-OD1 3.04Å; H153-N435 PolarHBondContact NE2-OD1 3.1Å; L431-N435 WeakPolarHBondContact O-CB 3.32Å; L431-N435 PolarHBondContact O-N 2.82Å; L431-N435 PolarHBondContact O-ND2 3.04Å; L431-N435 VanDerWaalsContact O-ND2 3.15Å; R432-N435 PolarHBondContact O-N 3.13Å; S433-N435 PolarHBondContact O-N 2.89Å; N435-Y439 WeakPolarHBondContact O-CD2 3.35Å; N435-Y439 PolarHBondContact O-N 3.44Å
436	R	91.9	Very high	91.3	Very high	87 Å²	87	32.7 Å²	32.7	33%	0.328	14%	0.144	S	C	.	.	H	α-helix	trans	-63.3	-45.6	176.2	-75.8	177.1	166.7	174.8	-4.5	111.8	G270 F271 R432 S433 L434 Y439 L440	G270-R436 PolarHBondContact O-NE 2.99Å; F271-R436 HydrophobicContact CB-CB 4Å; F271-R436 HydrophobicContact CB-CG 4.21Å; F271-R436 WeakPolarHBondContact CB-O 3.36Å; R432-R436 WeakPolarHBondContact O-CG 3Å; R432-R436 PolarHBondContact O-N 3.4Å; S433-R436 PolarHBondContact O-N 3.47Å; L434-R436 PolarHBondContact O-N 2.88Å; R436-Y439 PolarHBondContact O-N 3.32Å; R436-L440 PolarHBondContact O-N 3.41Å
437	H	93.7	Very high	91.8	Very high	16 Å²	16	27.3 Å²	27.3	7%	0.074	13%	0.125	C	C	.	.	H	α-helix	trans	-60.9	-47.5	177.1	-176.1	91.7	0	0	0	111.5	S433 L434 Y439 L440 A441 L502 V517 K518 E521 V523	S433-H437 WeakPolarHBondContact O-CB 3.2Å; S433-H437 PolarHBondContact O-N 3.22Å; L434-H437 PolarHBondContact O-N 3.46Å; H437-Y439 VanDerWaalsContact C-N 3.3Å; H437-Y439 PolarHBondContact O-N 2.01Å; H437-L440 WeakPolarHBondContact O-CB 3.22Å; H437-L440 PolarHBondContact O-N 3.5Å; H437-L440 VanDerWaalsContact O-N 3.07Å; H437-A441 PolarHBondContact O-N 3.03Å; H437-L502 HydrophobicContact CB-CD1 3.84Å; H437-V517 VanDerWaalsContact CE1-CG2 3.48Å; H437-V517 WeakPolarHBondContact CE1-CG2 3.3Å; H437-K518 PolarHBondContact CE1-O 2.97Å; H437-K518 VanDerWaalsContact CE1-O 3.26Å; H437-K518 PolarHBondContact NE2-O 3.38Å; H437-E521 PolarHBondContact CD2-O 3.5Å; H437-E521 VanDerWaalsContact CD2-O 3.23Å; H437-E521 PolarHBondContact NE2-O 3.34Å; H437-V523 HydrophobicContact CB-CG2 4.03Å; H437-V523 VanDerWaalsContact CD2-CG2 3.41Å; H437-V523 WeakPolarHBondContact CD2-CG2 3.4Å
438	N	96.7	Very high	92.2	Very high	3 Å²	3	24.5 Å²	24.5	2%	0.016	12%	0.123	C	C	.	.	H	α-helix	trans	-65.2	-33.2	179.6	-71.2	-41.2	0	0	0	112.5	A150 H153 A154 L434 A441 G442 V523	A150-N438 WeakPolarHBondContact CA-ND2 3.04Å; A150-N438 VanDerWaalsContact CB-ND2 3.3Å; A150-N438 WeakPolarHBondContact CB-ND2 3.28Å; H153-N438 HydrophobicContact CB-CB 3.91Å; A154-N438 VanDerWaalsContact CA-O 3.24Å; A154-N438 WeakPolarHBondContact CA-O 3.19Å; A154-N438 WeakPolarHBondContact CB-O 3.4Å; L434-N438 WeakPolarHBondContact O-CB 3.41Å; L434-N438 VanDerWaalsContact O-CG 3.3Å; L434-N438 PolarHBondContact O-N 3.24Å; L434-N438 PolarHBondContact O-ND2 3.5Å; N438-A441 PolarHBondContact O-N 2.99Å; N438-G442 PolarHBondContact O-N 3.39Å; N438-G442 VanDerWaalsContact O-N 3.12Å; N438-V523 PolarHBondContact ND2-O 3.36Å; N438-V523 PolarHBondContact OD1-N 3.28Å; N438-V523 PolarHBondContact OD1-O 2.82Å
439	Y	96	Very high	92.7	Very high	5 Å²	5	24.1 Å²	24.1	2%	0.02	12%	0.123	C	C	.	.	H	α-helix	trans	-62.9	-45.1	169.5	-73.1	-45.4	0	0	0	112.2	G49 I50 H153 S157 L269 F271 N435 R436 H437 A441 G442 V443	G49-Y439 PolarHBondContact O-OH 3.45Å; I50-Y439 HydrophobicContact CD1-CE1 4.3Å; H153-Y439 HydrophobicContact CB-CD1 3.85Å; H153-Y439 HydrophobicContact CB-CE1 3.74Å; H153-Y439 HydrophobicContact CB-CG 4.48Å; H153-Y439 AromaticContact CD2-CE1 3.6Å; H153-Y439 AromaticContact CD2-CE2 3.57Å; H153-Y439 AromaticContact CD2-CZ 3.21Å; H153-Y439 PolarHBondContact CD2-OH 3.37Å; H153-Y439 VanDerWaalsContact CD2-OH 3.28Å; H153-Y439 AromaticContact CG-CE1 3.91Å; H153-Y439 AromaticContact CG-CZ 3.99Å; H153-Y439 WeakPolarHBondContact O-CD1 3.49Å; H153-Y439 WeakPolarHBondContact O-CE1 3.39Å; S157-Y439 VanDerWaalsContact CB-O 3.26Å; S157-Y439 WeakPolarHBondContact CB-O 3.36Å; S157-Y439 WeakPolarHBondContact OG-CA 3.06Å; S157-Y439 PolarHBondContact OG-O 3.48Å; L269-Y439 HydrophobicContact CB-CD2 3.96Å; L269-Y439 HydrophobicContact CB-CE2 4.04Å; L269-Y439 HydrophobicContact CB-CG 4.23Å; L269-Y439 HydrophobicContact CD1-CD1 3.67Å; L269-Y439 HydrophobicContact CD1-CE1 3.89Å; L269-Y439 HydrophobicContact CD1-CG 4.03Å; L269-Y439 HydrophobicContact CD2-CE1 4.1Å; L269-Y439 HydrophobicContact CD2-CE2 4.43Å; L269-Y439 HydrophobicContact CG-CE1 4.45Å; F271-Y439 VanDerWaalsContact CD1-CB 3.47Å; F271-Y439 HydrophobicContact CD1-CD2 4.34Å; F271-Y439 HydrophobicContact CD1-CG 4.19Å; N435-Y439 WeakPolarHBondContact O-CD2 3.35Å; N435-Y439 PolarHBondContact O-N 3.44Å; R436-Y439 PolarHBondContact O-N 3.32Å; H437-Y439 VanDerWaalsContact C-N 3.3Å; H437-Y439 PolarHBondContact O-N 2.01Å; Y439-A441 VanDerWaalsContact C-N 3.35Å; Y439-A441 PolarHBondContact O-N 3.41Å; Y439-G442 PolarHBondContact O-N 2.94Å; Y439-V443 PolarHBondContact O-N 2.96Å
440	L	93.8	Very high	93	Very high	6 Å²	6	25.2 Å²	25.2	3%	0.031	13%	0.125	C	C	.	.	H	α-helix	trans	-60.4	-44.9	175.8	178.1	61.4	0	0	0	111.4	F271 V274 V276 R436 H437 G442 V443 V444 P519	F271-L440 HydrophobicContact CD2-CB 4.14Å; F271-L440 HydrophobicContact CD2-CD1 4.37Å; F271-L440 HydrophobicContact CE2-CD1 4.37Å; V274-L440 HydrophobicContact CB-CD1 4.3Å; V274-L440 HydrophobicContact CG2-CD2 4.27Å; V276-L440 HydrophobicContact CG2-CD1 4.45Å; R436-L440 PolarHBondContact O-N 3.41Å; H437-L440 WeakPolarHBondContact O-CB 3.22Å; H437-L440 PolarHBondContact O-N 3.5Å; H437-L440 VanDerWaalsContact O-N 3.07Å; L440-G442 VanDerWaalsContact C-N 3.26Å; L440-G442 PolarHBondContact O-N 2.64Å; L440-V443 WeakPolarHBondContact O-CB 2.74Å; L440-V443 PolarHBondContact O-N 3.47Å; L440-V444 HydrophobicContact CD1-CG2 4.17Å; L440-V444 HydrophobicContact CG-CG2 4.33Å; L440-V444 WeakPolarHBondContact O-CG2 3.43Å; L440-V444 PolarHBondContact O-N 3.34Å; L440-P519 HydrophobicContact CD2-CB 4.09Å; L440-P519 HydrophobicContact CG-CB 4.46Å
441	A	95.7	Very high	93	Very high	3 Å²	3	27.3 Å²	27.3	3%	0.025	13%	0.133	C	C	.	.	H	α-helix	trans	-58.6	-37.7	178	0	0	0	0	0	112.6	H437 N438 Y439 L445 P519 L522	H437-A441 PolarHBondContact O-N 3.03Å; N438-A441 PolarHBondContact O-N 2.99Å; Y439-A441 VanDerWaalsContact C-N 3.35Å; Y439-A441 PolarHBondContact O-N 3.41Å; A441-L445 VanDerWaalsContact O-CB 3.28Å; A441-L445 WeakPolarHBondContact O-CB 3.49Å; A441-L445 PolarHBondContact O-N 2.9Å; A441-P519 WeakPolarHBondContact CA-O 3.42Å; A441-P519 WeakPolarHBondContact CB-O 3.37Å; A441-P519 PolarHBondContact N-O 2.91Å; A441-L522 HydrophobicContact CB-CD2 3.68Å
442	G	96.8	Very high	92.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-65.6	-39	173.1	0	0	0	0	0	113.8	A154 S157 S158 N438 Y439 L440 L445 M446	A154-G442 WeakPolarHBondContact O-CA 3.31Å; S157-G442 WeakPolarHBondContact OG-CA 3.4Å; S158-G442 VanDerWaalsContact OG-CA 3.25Å; S158-G442 WeakPolarHBondContact OG-CA 3.31Å; S158-G442 PolarHBondContact OG-O 3.07Å; N438-G442 PolarHBondContact O-N 3.39Å; N438-G442 VanDerWaalsContact O-N 3.12Å; Y439-G442 PolarHBondContact O-N 2.94Å; L440-G442 VanDerWaalsContact C-N 3.26Å; L440-G442 PolarHBondContact O-N 2.64Å; G442-L445 PolarHBondContact O-N 3.46Å; G442-M446 PolarHBondContact O-N 2.95Å
443	V	94.7	Very high	93	Very high	5 Å²	5	25.9 Å²	25.9	3%	0.03	14%	0.137	C	C	.	.	H	α-helix	trans	-64.9	-47.6	175.1	168	0	0	0	0	110.7	L161 K262 T265 F271 Y439 L440 L445 M446 E447	L161-V443 HydrophobicContact CD1-CG1 4.17Å; L161-V443 HydrophobicContact CD1-CG2 4.44Å; L161-V443 HydrophobicContact CD2-CB 4.44Å; L161-V443 HydrophobicContact CD2-CG1 3.95Å; K262-V443 HydrophobicContact CG-CG1 4.01Å; T265-V443 HydrophobicContact CG2-CG2 3.99Å; F271-V443 HydrophobicContact CE2-CG2 4.16Å; F271-V443 HydrophobicContact CZ-CG2 3.69Å; Y439-V443 PolarHBondContact O-N 2.96Å; L440-V443 WeakPolarHBondContact O-CB 2.74Å; L440-V443 PolarHBondContact O-N 3.47Å; V443-L445 VanDerWaalsContact C-N 3.3Å; V443-L445 PolarHBondContact O-N 3.14Å; V443-M446 PolarHBondContact O-N 3.43Å; V443-E447 PolarHBondContact O-N 2.93Å
444	V	93.1	Very high	93	Very high	5 Å²	5	26.4 Å²	26.4	3%	0.03	14%	0.14	C	C	.	.	H	α-helix	trans	-60.8	-40.8	177.7	175.1	0	0	0	0	110.9	V276 L278 L440 A448 P519	V276-V444 HydrophobicContact CB-CG2 4.15Å; V276-V444 HydrophobicContact CG1-CG2 4.34Å; V276-V444 HydrophobicContact CG2-CG2 3.82Å; L278-V444 HydrophobicContact CD1-CG1 4.3Å; L278-V444 HydrophobicContact CD2-CG1 3.94Å; L278-V444 HydrophobicContact CG-CG1 4.38Å; L440-V444 HydrophobicContact CD1-CG2 4.17Å; L440-V444 HydrophobicContact CG-CG2 4.33Å; L440-V444 WeakPolarHBondContact O-CG2 3.43Å; L440-V444 PolarHBondContact O-N 3.34Å; V444-A448 VanDerWaalsContact O-CB 3.29Å; V444-A448 WeakPolarHBondContact O-CB 3.32Å; V444-A448 PolarHBondContact O-N 3.44Å; V444-P519 HydrophobicContact CG2-CB 4.4Å
445	L	95	Very high	92.9	Very high	6 Å²	6	33 Å²	33	3%	0.031	17%	0.168	C	C	.	.	H	α-helix	trans	-60.9	-46.1	176.2	-178.4	69.2	0	0	0	112.1	A441 G442 V443 N449 A483 L484 R487	A441-L445 VanDerWaalsContact O-CB 3.28Å; A441-L445 WeakPolarHBondContact O-CB 3.49Å; A441-L445 PolarHBondContact O-N 2.9Å; G442-L445 PolarHBondContact O-N 3.46Å; V443-L445 VanDerWaalsContact C-N 3.3Å; V443-L445 PolarHBondContact O-N 3.14Å; L445-N449 PolarHBondContact O-N 2.92Å; L445-N449 PolarHBondContact O-ND2 2.97Å; L445-A483 HydrophobicContact CD1-CB 4.05Å; L445-L484 HydrophobicContact CD2-CD2 3.47Å; L445-L484 VanDerWaalsContact CD2-CD2 3.47Å; L445-L484 HydrophobicContact CD2-CG 3.86Å; L445-R487 HydrophobicContact CD1-CG 3.84Å; L445-R487 HydrophobicContact CD2-CG 4.19Å
446	M	94.4	Very high	92.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-67.8	-41.7	-178.1	179.5	57.6	77.9	0	0	111.5	S158 L161 F162 G442 V443 N449 L472 I475 M480	S158-M446 WeakPolarHBondContact O-CE 3.39Å; L161-M446 HydrophobicContact CD2-CB 3.89Å; L161-M446 HydrophobicContact CD2-CG 3.81Å; F162-M446 HydrophobicContact CB-CE 3.8Å; F162-M446 HydrophobicContact CB-SD 4.25Å; F162-M446 HydrophobicContact CG-CE 4.48Å; G442-M446 PolarHBondContact O-N 2.95Å; V443-M446 PolarHBondContact O-N 3.43Å; M446-N449 PolarHBondContact O-N 3.37Å; M446-L472 HydrophobicContact CG-CD1 4.38Å; M446-L472 HydrophobicContact CG-CD2 3.8Å; M446-L472 HydrophobicContact SD-CB 4.33Å; M446-L472 HydrophobicContact SD-CD2 4.17Å; M446-I475 HydrophobicContact CE-CD1 3.82Å; M446-M480 HydrophobicContact CE-CE 3.55Å; M446-M480 HydrophobicContact SD-CE 3.8Å; M446-M480 HydrophobicContact SD-SD 4.49Å
447	E	91.1	Very high	92.7	Very high	36 Å²	36	35 Å²	35	17%	0.168	19%	0.185	C	C	.	.	H	α-helix	trans	-63.9	-44.4	175.4	179.6	173.6	-145.2	0	0	112.5	L258 K262 L278 V443 N449 Q450	L258-E447 HydrophobicContact CD1-CG 3.99Å; K262-E447 VanDerWaalsContact CE-CD 3.47Å; K262-E447 WeakPolarHBondContact CE-OE1 3.45Å; K262-E447 WeakPolarHBondContact CE-OE2 3.03Å; K262-E447 IonicContact NZ-OE1 2.89Å; K262-E447 PolarHBondContact NZ-OE1 3.3Å; K262-E447 IonicContact NZ-OE2 3.12Å; K262-E447 PolarHBondContact NZ-OE2 3.03Å; L278-E447 HydrophobicContact CD1-CB 4.22Å; L278-E447 HydrophobicContact CD1-CG 3.91Å; V443-E447 PolarHBondContact O-N 2.93Å; E447-N449 PolarHBondContact O-N 2.93Å; E447-Q450 WeakPolarHBondContact O-CG 3.25Å; E447-Q450 PolarHBondContact O-N 3.43Å
448	A	89.7	Confident	92.4	Very high	54 Å²	54	35.1 Å²	35.1	45%	0.446	19%	0.191	S	C	.	.	H	α-helix	trans	-63.8	-22.3	178.9	0	0	0	0	0	113.4	L278 V444	L278-A448 HydrophobicContact CD1-CB 3.85Å; L278-A448 HydrophobicContact CD2-CB 4.17Å; V444-A448 VanDerWaalsContact O-CB 3.29Å; V444-A448 WeakPolarHBondContact O-CB 3.32Å; V444-A448 PolarHBondContact O-N 3.44Å
449	N	91.8	Very high	92.2	Very high	34 Å²	34	41.1 Å²	41.1	18%	0.182	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	32.5	-178.3	-74	-87.9	0	0	0	112.6	L445 M446 E447 R473 M480	L445-N449 PolarHBondContact O-N 2.92Å; L445-N449 PolarHBondContact O-ND2 2.97Å; M446-N449 PolarHBondContact O-N 3.37Å; E447-N449 PolarHBondContact O-N 2.93Å; N449-R473 WeakPolarHBondContact O-CB 3.24Å; N449-R473 WeakPolarHBondContact O-CD 3.15Å; N449-R473 WeakPolarHBondContact O-CG 3.47Å; N449-R473 PolarHBondContact O-NE 3.44Å; N449-M480 HydrophobicContact CB-SD 3.35Å; N449-M480 WeakPolarHBondContact CB-SD 3.39Å
450	Q	90.4	Very high	92	Very high	47 Å²	47	47.6 Å²	47.6	22%	0.22	27%	0.273	C	S	.	.			trans	-59.6	156.4	167.4	-78.2	-176.3	-29.8	0	0	112.1	E447 Q471 L472 R473	E447-Q450 WeakPolarHBondContact O-CG 3.25Å; E447-Q450 PolarHBondContact O-N 3.43Å; Q450-Q471 WeakPolarHBondContact CA-O 3.34Å; Q450-L472 HydrophobicContact CG-CD2 3.82Å; Q450-R473 PolarHBondContact O-NE 2.87Å; Q450-R473 PolarHBondContact O-NH2 2.79Å
451	K	90	Very high	91.7	Very high	72 Å²	72	49.9 Å²	49.9	31%	0.313	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	145.2	169.2	60.5	172.5	-178	168.6	0	110.2	V453 Q471 R473	K451-V453 HydrophobicContact CD-CG2 3.95Å; K451-V453 HydrophobicContact CG-CG2 3.95Å; K451-Q471 HydrophobicContact CG-CB 4.3Å; K451-Q471 WeakPolarHBondContact CG-O 3.34Å; K451-Q471 PolarHBondContact N-O 3.02Å; K451-Q471 PolarHBondContact O-N 2.67Å; K451-R473 HydrophobicContact CB-CG 3.9Å; K451-R473 VanDerWaalsContact CB-CZ 3.49Å; K451-R473 HydrophobicContact CD-CG 4.18Å; K451-R473 HydrophobicContact CG-CG 3.92Å
452	L	88.8	Confident	91.4	Very high	84 Å²	84	52.2 Å²	52.2	44%	0.44	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	124.9	164.3	-170.7	65.4	0	0	0	108.1	W251 C468	W251-L452 HydrophobicContact CH2-CD1 3.44Å; W251-L452 VanDerWaalsContact CH2-CD1 3.44Å; W251-L452 HydrophobicContact CZ3-CD1 3.44Å; W251-L452 VanDerWaalsContact CZ3-CD1 3.44Å; L452-C468 HydrophobicContact CD1-CB 3.79Å; L452-C468 HydrophobicContact CD2-CB 4.45Å; L452-C468 HydrophobicContact CG-CB 4.12Å
453	V	90.3	Very high	91.1	Very high	35 Å²	35	55.4 Å²	55.4	21%	0.212	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	128.4	173.6	179.1	0	0	0	0	107.6	K451 C468 F469 Q471	K451-V453 HydrophobicContact CD-CG2 3.95Å; K451-V453 HydrophobicContact CG-CG2 3.95Å; V453-C468 CarbonylContact O-C 3.54Å; V453-C468 WeakPolarHBondContact O-CA 3.3Å; V453-F469 HydrophobicContact CB-CD2 4.43Å; V453-F469 HydrophobicContact CB-CE1 4.36Å; V453-F469 HydrophobicContact CB-CE2 4Å; V453-F469 HydrophobicContact CB-CZ 3.97Å; V453-F469 HydrophobicContact CG1-CE1 4.15Å; V453-F469 HydrophobicContact CG1-CE2 4.25Å; V453-F469 HydrophobicContact CG1-CZ 3.74Å; V453-F469 PolarHBondContact N-O 2.87Å; V453-F469 PolarHBondContact O-N 2.98Å; V453-Q471 HydrophobicContact CG2-CB 3.77Å
454	C	91.6	Very high	90.7	Very high	47 Å²	47	58.7 Å²	58.7	32%	0.318	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	143.4	178.7	-58.5	0	0	0	0	110.9	R466 V467 C468	C454-R466 PolarHBondContact SG-NH1 3.23Å; C454-V467 CarbonylContact C-O 3.55Å; C454-V467 WeakPolarHBondContact CA-O 3.41Å; C454-C468 HydrophobicContact CB-CB 4.11Å; C454-C468 WeakPolarHBondContact CB-SG 3.38Å; C454-C468 WeakPolarHBondContact SG-CB 3.47Å; C454-C468 CovalentContact SG-SG 2.04Å; C454-C468 PolarHBondContact SG-SG 2.88Å
455	K	91.5	Very high	90.4	Very high	138 Å²	138	63 Å²	63	60%	0.6	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.9	129	171	-172.8	173.7	-179.1	178.5	0	109.3	H457 R466 V467	K455-H457 PolarHBondContact O-CD2 2.9Å; K455-R466 CarbonylContact O-C 3.59Å; K455-R466 WeakPolarHBondContact O-CA 3.16Å; K455-R466 WeakPolarHBondContact O-CB 3.13Å; K455-V467 PolarHBondContact N-O 3.41Å; K455-V467 PolarHBondContact O-N 2.92Å
456	C	93.6	Very high	90.1	Very high	43 Å²	43	65 Å²	65	29%	0.291	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	138.2	177.9	-59.3	0	0	0	0	110.5	C463	C456-C463 HydrophobicContact CB-CB 3.88Å; C456-C463 WeakPolarHBondContact CB-SG 3.46Å; C456-C463 WeakPolarHBondContact SG-CB 3.42Å; C456-C463 CovalentContact SG-SG 2.03Å; C456-C463 PolarHBondContact SG-SG 3.03Å
457	H	89	Confident	89.8	Confident	95 Å²	95	66.4 Å²	66.4	44%	0.44	40%	0.4	S	S	.	.			trans	-128.5	5.2	-172.3	-73.2	-82.8	0	0	0	113.3	K455 Q465	K455-H457 PolarHBondContact O-CD2 2.9Å; H457-Q465 PolarHBondContact N-O 3.28Å
458	G	86.6	Confident	89.8	Confident	19 Å²	19	64.7 Å²	64.7	20%	0.196	39%	0.392	C	S	.	.	S	Bend	trans	-72.7	169	176.6	0	0	0	0	0	113.1	S460 G461 S462	G458-S460 PolarHBondContact O-N 3.05Å; G458-G461 PolarHBondContact O-N 2.66Å; G458-G461 VanDerWaalsContact O-N 3.08Å; G458-S462 WeakPolarHBondContact CA-O 3.3Å; G458-S462 PolarHBondContact N-O 3.01Å; G458-S462 PolarHBondContact O-N 3.29Å
459	V	92.2	Very high	89.8	Confident	129 Å²	129	63.8 Å²	63.8	78%	0.782	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-51.5	133.5	178	-64.5	0	0	0	0	111.1	G461 S462	V459-G461 PolarHBondContact O-N 2.62Å; V459-G461 VanDerWaalsContact O-N 3.1Å; V459-S462 WeakPolarHBondContact O-CB 3.48Å; V459-S462 PolarHBondContact O-N 2.93Å
460	S	91.4	Very high	89.7	Confident	141 Å²	141	66.1 Å²	66.1	99%	0.986	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	54.5	26.1	-178.3	-54	0	0	0	0	115.5	G458	G458-S460 PolarHBondContact O-N 3.05Å
461	G	89	Confident	89.8	Confident	55 Å²	55	65 Å²	65	57%	0.567	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	87.3	9.7	-177.8	0	0	0	0	0	114.4	G458 V459	G458-G461 PolarHBondContact O-N 2.66Å; G458-G461 VanDerWaalsContact O-N 3.08Å; V459-G461 PolarHBondContact O-N 2.62Å; V459-G461 VanDerWaalsContact O-N 3.1Å
462	S	89.2	Confident	89.9	Confident	51 Å²	51	61.6 Å²	61.6	36%	0.357	36%	0.364	S	S	.	.			trans	-55.6	142.4	173.6	173	0	0	0	0	111.9	G458 V459 A464	G458-S462 WeakPolarHBondContact CA-O 3.3Å; G458-S462 PolarHBondContact N-O 3.01Å; G458-S462 PolarHBondContact O-N 3.29Å; V459-S462 WeakPolarHBondContact O-CB 3.48Å; V459-S462 PolarHBondContact O-N 2.93Å; S462-A464 PolarHBondContact OG-N 2.87Å
463	C	90.1	Very high	90.3	Very high	67 Å²	67	60.8 Å²	60.8	45%	0.453	36%	0.355	S	S	.	.	S	Bend	trans	-94.2	13.4	177.9	-62.9	0	0	0	0	113.6	C456 Q465	C456-C463 HydrophobicContact CB-CB 3.88Å; C456-C463 WeakPolarHBondContact CB-SG 3.46Å; C456-C463 WeakPolarHBondContact SG-CB 3.42Å; C456-C463 CovalentContact SG-SG 2.03Å; C456-C463 PolarHBondContact SG-SG 3.03Å; C463-Q465 PolarHBondContact O-N 2.8Å
464	A	86.9	Confident	90.5	Very high	74 Å²	74	66 Å²	66	61%	0.612	37%	0.371	S	S	*	.	S	Bend	trans	-54.9	-35.1	174.2	0	0	0	0	0	112.1	S462	S462-A464 PolarHBondContact OG-N 2.87Å
465	Q	86	Confident	90.7	Very high	97 Å²	97	64.1 Å²	64.1	45%	0.453	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	129.5	164.8	-175.1	178.2	12.3	0	0	109.2	Y250 H457 C463	Y250-Q465 HydrophobicContact CD2-CG 4.44Å; Y250-Q465 HydrophobicContact CE2-CG 4.19Å; H457-Q465 PolarHBondContact N-O 3.28Å; C463-Q465 PolarHBondContact O-N 2.8Å
466	R	88.3	Confident	90.9	Very high	48 Å²	48	59.9 Å²	59.9	18%	0.181	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	152.6	175.9	67.5	-171.5	170.7	102	-3.9	111.7	F249 Y250 C454 K455 C468	F249-R466 CarbonylContact C-O 3.46Å; F249-R466 WeakPolarHBondContact CA-O 3.5Å; F249-R466 HydrophobicContact CB-CG 3.39Å; F249-R466 WeakPolarHBondContact CB-O 3.43Å; F249-R466 VanDerWaalsContact CD1-NH2 3.35Å; Y250-R466 PolarHBondContact N-O 2.91Å; C454-R466 PolarHBondContact SG-NH1 3.23Å; K455-R466 CarbonylContact O-C 3.59Å; K455-R466 WeakPolarHBondContact O-CA 3.16Å; K455-R466 WeakPolarHBondContact O-CB 3.13Å; R466-C468 PolarHBondContact NH1-SG 3.05Å
467	V	88.7	Confident	91	Very high	29 Å²	29	60 Å²	60	18%	0.176	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	131.5	177.4	167.5	0	0	0	0	108.3	Y250 A252 C454 K455	Y250-V467 CarbonylContact O-C 3.58Å; Y250-V467 VanDerWaalsContact O-CA 3.31Å; Y250-V467 WeakPolarHBondContact O-CA 3.05Å; A252-V467 HydrophobicContact CB-CG1 3.5Å; A252-V467 VanDerWaalsContact CB-CG1 3.5Å; A252-V467 WeakPolarHBondContact O-CG1 3.32Å; C454-V467 CarbonylContact C-O 3.55Å; C454-V467 WeakPolarHBondContact CA-O 3.41Å; K455-V467 PolarHBondContact N-O 3.41Å; K455-V467 PolarHBondContact O-N 2.92Å
468	C	91.5	Very high	91.3	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	150.1	-177.1	-54.9	0	0	0	0	112.9	F249 Y250 W251 A252 L452 V453 C454 R466	F249-C468 HydrophobicContact CD2-CB 3.76Å; F249-C468 VanDerWaalsContact CD2-SG 3.55Å; F249-C468 HydrophobicContact CE2-CB 4.17Å; Y250-C468 PolarHBondContact O-N 3.28Å; W251-C468 WeakPolarHBondContact CA-O 3.35Å; A252-C468 PolarHBondContact N-O 3.33Å; A252-C468 VanDerWaalsContact N-O 3.07Å; A252-C468 CarbonylContact O-C 3.52Å; L452-C468 HydrophobicContact CD1-CB 3.79Å; L452-C468 HydrophobicContact CD2-CB 4.45Å; L452-C468 HydrophobicContact CG-CB 4.12Å; V453-C468 CarbonylContact O-C 3.54Å; V453-C468 WeakPolarHBondContact O-CA 3.3Å; C454-C468 HydrophobicContact CB-CB 4.11Å; C454-C468 WeakPolarHBondContact CB-SG 3.38Å; C454-C468 WeakPolarHBondContact SG-CB 3.47Å; C454-C468 CovalentContact SG-SG 2.04Å; C454-C468 PolarHBondContact SG-SG 2.88Å; R466-C468 PolarHBondContact NH1-SG 3.05Å
469	F	89.2	Confident	91.7	Very high	34 Å²	34	66.4 Å²	66.4	15%	0.149	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	156.8	176.4	56.7	-86.7	0	0	0	111	A252 S255 V453 Q471	A252-F469 WeakPolarHBondContact O-CB 3.37Å; A252-F469 WeakPolarHBondContact O-CD1 3.37Å; S255-F469 WeakPolarHBondContact OG-CB 3.25Å; V453-F469 HydrophobicContact CB-CD2 4.43Å; V453-F469 HydrophobicContact CB-CE1 4.36Å; V453-F469 HydrophobicContact CB-CE2 4Å; V453-F469 HydrophobicContact CB-CZ 3.97Å; V453-F469 HydrophobicContact CG1-CE1 4.15Å; V453-F469 HydrophobicContact CG1-CE2 4.25Å; V453-F469 HydrophobicContact CG1-CZ 3.74Å; V453-F469 PolarHBondContact N-O 2.87Å; V453-F469 PolarHBondContact O-N 2.98Å; F469-Q471 HydrophobicContact CE2-CB 4.4Å
470	R	89.2	Confident	91.9	Very high	83 Å²	83	60.2 Å²	60.2	31%	0.313	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	135.4	176	-67	-173.8	169.2	121.7	-8.6	111.5	E181 S184 W251 S255	E181-R470 WeakPolarHBondContact OE1-CB 3.39Å; E181-R470 PolarHBondContact OE1-N 3.07Å; S184-R470 PolarHBondContact OG-NH1 2.9Å; W251-R470 HydrophobicContact CH2-CG 4.4Å; W251-R470 HydrophobicContact CZ3-CG 4.09Å; S255-R470 VanDerWaalsContact CA-O 3.32Å; S255-R470 WeakPolarHBondContact CA-O 3.29Å; S255-R470 VanDerWaalsContact CB-O 3.28Å; S255-R470 WeakPolarHBondContact CB-O 3.28Å; S255-R470 PolarHBondContact OG-O 3.11Å
471	Q	92.1	Very high	92.1	Very high	24 Å²	24	55.2 Å²	55.2	11%	0.112	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	141.1	178.9	-171.4	177.5	68.3	0	0	110.1	D256 Q450 K451 V453 F469	D256-Q471 VanDerWaalsContact OD2-CG 3.32Å; D256-Q471 WeakPolarHBondContact OD2-CG 3.27Å; Q450-Q471 WeakPolarHBondContact CA-O 3.34Å; K451-Q471 HydrophobicContact CG-CB 4.3Å; K451-Q471 WeakPolarHBondContact CG-O 3.34Å; K451-Q471 PolarHBondContact N-O 3.02Å; K451-Q471 PolarHBondContact O-N 2.67Å; V453-Q471 HydrophobicContact CG2-CB 3.77Å; F469-Q471 HydrophobicContact CE2-CB 4.4Å
472	L	93.8	Very high	92.3	Very high	1 Å²	1	59.3 Å²	59.3	1%	0.005	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-64	139.4	171.3	-69.7	175.7	0	0	0	110.2	F162 D256 L258 M446 Q450	F162-L472 HydrophobicContact CB-CD1 4.44Å; F162-L472 HydrophobicContact CD2-CB 3.69Å; F162-L472 HydrophobicContact CE2-CB 4.21Å; D256-L472 HydrophobicContact CB-CD1 4.33Å; D256-L472 HydrophobicContact CB-CG 4.23Å; D256-L472 WeakPolarHBondContact OD2-CB 3.37Å; D256-L472 PolarHBondContact OD2-N 2.77Å; L258-L472 HydrophobicContact CD2-CD1 3.72Å; L258-L472 HydrophobicContact CD2-CD2 3.58Å; L258-L472 HydrophobicContact CD2-CG 3.79Å; M446-L472 HydrophobicContact CG-CD1 4.38Å; M446-L472 HydrophobicContact CG-CD2 3.8Å; M446-L472 HydrophobicContact SD-CB 4.33Å; M446-L472 HydrophobicContact SD-CD2 4.17Å; Q450-L472 HydrophobicContact CG-CD2 3.82Å
473	R	95.4	Very high	92.6	Very high	67 Å²	67	57.8 Å²	57.8	25%	0.253	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-76.7	137.9	174.4	-74.1	178.7	-161.1	-98.9	1.1	109.8	F162 N449 Q450 K451 I479 M480	F162-R473 WeakPolarHBondContact CD2-O 3.26Å; N449-R473 WeakPolarHBondContact O-CB 3.24Å; N449-R473 WeakPolarHBondContact O-CD 3.15Å; N449-R473 WeakPolarHBondContact O-CG 3.47Å; N449-R473 PolarHBondContact O-NE 3.44Å; Q450-R473 PolarHBondContact O-NE 2.87Å; Q450-R473 PolarHBondContact O-NH2 2.79Å; K451-R473 HydrophobicContact CB-CG 3.9Å; K451-R473 VanDerWaalsContact CB-CZ 3.49Å; K451-R473 HydrophobicContact CD-CG 4.18Å; K451-R473 HydrophobicContact CG-CG 3.92Å; R473-I479 VanDerWaalsContact NH1-CD1 3.32Å; R473-M480 HydrophobicContact CB-CG 3.71Å; R473-M480 HydrophobicContact CB-SD 4.1Å
474	R	96.1	Very high	92.9	Very high	144 Å²	144	54.6 Å²	54.6	54%	0.543	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-63.2	144	172.1	-66.1	168.5	52.9	142.9	1.4	110.1	F162 D476 T477 M480	F162-R474 HydrophobicContact CE1-CG 4.39Å; F162-R474 HydrophobicContact CE2-CB 4.36Å; F162-R474 HydrophobicContact CE2-CG 3.92Å; F162-R474 HydrophobicContact CZ-CB 4.24Å; F162-R474 HydrophobicContact CZ-CG 3.54Å; R474-D476 WeakPolarHBondContact CB-OD1 3.4Å; R474-D476 IonicContact CZ-OD1 3.75Å; R474-D476 IonicContact CZ-OD2 2.72Å; R474-D476 IonicContact NE-OD1 3.25Å; R474-D476 PolarHBondContact NE-OD1 3.49Å; R474-D476 IonicContact NE-OD2 3.78Å; R474-D476 PolarHBondContact NE-OD2 3.49Å; R474-D476 IonicContact NH2-OD1 2.98Å; R474-D476 IonicContact NH2-OD2 3.42Å; R474-D476 PolarHBondContact NH2-OD2 2.96Å; R474-D476 PolarHBondContact O-N 2.04Å; R474-T477 HydrophobicContact CB-CG2 4.27Å; R474-T477 WeakPolarHBondContact O-CG2 3.15Å; R474-T477 PolarHBondContact O-N 3.01Å; R474-T477 PolarHBondContact O-OG1 2.95Å; R474-M480 WeakPolarHBondContact O-CG 3.37Å
475	I	95.5	Very high	93.3	Very high	8 Å²	8	53.4 Å²	53.4	4%	0.041	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-23.1	-176.7	-155.2	70	0	0	0	113.3	H117 F155 V159 M446 T477 M480 Q481 L484	H117-I475 HydrophobicContact CB-CG2 3.98Å; H117-I475 VanDerWaalsContact CD2-CG2 3.42Å; H117-I475 WeakPolarHBondContact CD2-CG2 3.47Å; F155-I475 HydrophobicContact CD1-CG1 4.38Å; F155-I475 HydrophobicContact CE1-CD1 4.46Å; F155-I475 HydrophobicContact CE1-CG1 3.65Å; F155-I475 HydrophobicContact CE2-CG1 4.46Å; F155-I475 HydrophobicContact CZ-CG1 3.68Å; V159-I475 HydrophobicContact CG2-CB 4Å; V159-I475 HydrophobicContact CG2-CD1 4Å; V159-I475 HydrophobicContact CG2-CG1 3.67Å; V159-I475 HydrophobicContact CG2-CG2 4.1Å; M446-I475 HydrophobicContact CE-CD1 3.82Å; I475-T477 VanDerWaalsContact C-N 3.32Å; I475-M480 HydrophobicContact CD1-CE 3.85Å; I475-Q481 WeakPolarHBondContact O-CG 3.24Å; I475-L484 HydrophobicContact CD1-CD1 3.59Å; I475-L484 HydrophobicContact CG1-CD1 4.02Å
476	D	94.7	Very high	93.8	Very high	48 Å²	48	54 Å²	54	26%	0.257	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-9.6	-179.1	65.4	-25.5	0	0	0	114	H117 R474 Q481	H117-D476 VanDerWaalsContact CE1-CB 3.41Å; H117-D476 WeakPolarHBondContact CE1-CB 3.38Å; R474-D476 WeakPolarHBondContact CB-OD1 3.4Å; R474-D476 IonicContact CZ-OD1 3.75Å; R474-D476 IonicContact CZ-OD2 2.72Å; R474-D476 IonicContact NE-OD1 3.25Å; R474-D476 PolarHBondContact NE-OD1 3.49Å; R474-D476 IonicContact NE-OD2 3.78Å; R474-D476 PolarHBondContact NE-OD2 3.49Å; R474-D476 IonicContact NH2-OD1 2.98Å; R474-D476 IonicContact NH2-OD2 3.42Å; R474-D476 PolarHBondContact NH2-OD2 2.96Å; R474-D476 PolarHBondContact O-N 2.04Å; D476-Q481 PolarHBondContact O-NE2 3.15Å
477	T	96.2	Very high	94.1	Very high	47 Å²	47	55.7 Å²	55.7	29%	0.288	25%	0.254	S	S	.	.	S	Bend	trans	-66.1	144.4	174.1	61.7	0	0	0	0	111.2	R474 I475 I479 M480 Q481	R474-T477 HydrophobicContact CB-CG2 4.27Å; R474-T477 WeakPolarHBondContact O-CG2 3.15Å; R474-T477 PolarHBondContact O-N 3.01Å; R474-T477 PolarHBondContact O-OG1 2.95Å; I475-T477 VanDerWaalsContact C-N 3.32Å; T477-I479 VanDerWaalsContact C-N 3.25Å; T477-I479 PolarHBondContact O-N 2.81Å; T477-M480 PolarHBondContact O-N 2.93Å; T477-M480 VanDerWaalsContact O-N 3.13Å; T477-M480 WeakPolarHBondContact OG1-CB 3.38Å; T477-M480 VanDerWaalsContact OG1-CG 3.31Å; T477-M480 WeakPolarHBondContact OG1-CG 3.47Å; T477-Q481 WeakPolarHBondContact O-CG 3.49Å; T477-Q481 PolarHBondContact O-N 3.22Å
478	E	95	Very high	94.5	Very high	164 Å²	164	55 Å²	55	77%	0.766	25%	0.248	S	C	*	.	H	α-helix	trans	-56.3	-40.7	-179.8	-173.1	-177.4	171.6	0	0	112.4	M480 Q481 K482	E478-M480 PolarHBondContact O-N 3.47Å; E478-Q481 PolarHBondContact O-N 2.72Å; E478-K482 VanDerWaalsContact O-CB 3.31Å; E478-K482 WeakPolarHBondContact O-CB 3.25Å; E478-K482 PolarHBondContact O-N 2.81Å
479	I	95.6	Very high	94.7	Very high	83 Å²	83	59.2 Å²	59.2	43%	0.426	27%	0.27	S	S	.	.	H	α-helix	trans	-56.6	-49.2	177.3	-62.7	168	0	0	0	110.8	R473 T477 K482 A483	R473-I479 VanDerWaalsContact NH1-CD1 3.32Å; T477-I479 VanDerWaalsContact C-N 3.25Å; T477-I479 PolarHBondContact O-N 2.81Å; I479-K482 PolarHBondContact O-N 3.49Å; I479-A483 WeakPolarHBondContact O-CB 3.12Å; I479-A483 PolarHBondContact O-N 3.42Å
480	M	96.2	Very high	95	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-66.4	-43.5	179.5	-74.9	-59.2	-61	0	0	112	M446 N449 R473 R474 I475 T477 E478 K482 A483 L484	M446-M480 HydrophobicContact CE-CE 3.55Å; M446-M480 HydrophobicContact SD-CE 3.8Å; M446-M480 HydrophobicContact SD-SD 4.49Å; N449-M480 HydrophobicContact CB-SD 3.35Å; N449-M480 WeakPolarHBondContact CB-SD 3.39Å; R473-M480 HydrophobicContact CB-CG 3.71Å; R473-M480 HydrophobicContact CB-SD 4.1Å; R474-M480 WeakPolarHBondContact O-CG 3.37Å; I475-M480 HydrophobicContact CD1-CE 3.85Å; T477-M480 PolarHBondContact O-N 2.93Å; T477-M480 VanDerWaalsContact O-N 3.13Å; T477-M480 WeakPolarHBondContact OG1-CB 3.38Å; T477-M480 VanDerWaalsContact OG1-CG 3.31Å; T477-M480 WeakPolarHBondContact OG1-CG 3.47Å; E478-M480 PolarHBondContact O-N 3.47Å; M480-K482 VanDerWaalsContact C-N 3.35Å; M480-K482 PolarHBondContact O-N 3.16Å; M480-A483 PolarHBondContact O-N 3.28Å; M480-L484 WeakPolarHBondContact O-CB 3.32Å; M480-L484 WeakPolarHBondContact O-CG 3.35Å; M480-L484 PolarHBondContact O-N 3.28Å
481	Q	94.6	Very high	95.4	Very high	36 Å²	36	57.6 Å²	57.6	17%	0.168	28%	0.281	C	S	.	.	H	α-helix	trans	-62.6	-42.2	178.2	-66	-170.9	44.6	0	0	111.7	T121 I475 D476 T477 E478 L484 K485	T121-Q481 HydrophobicContact CG2-CB 4.38Å; I475-Q481 WeakPolarHBondContact O-CG 3.24Å; D476-Q481 PolarHBondContact O-NE2 3.15Å; T477-Q481 WeakPolarHBondContact O-CG 3.49Å; T477-Q481 PolarHBondContact O-N 3.22Å; E478-Q481 PolarHBondContact O-N 2.72Å; Q481-L484 PolarHBondContact O-N 2.96Å; Q481-K485 WeakPolarHBondContact O-CG 3.38Å; Q481-K485 PolarHBondContact O-N 3.13Å
482	K	94.3	Very high	95.6	Very high	140 Å²	140	58.6 Å²	58.6	61%	0.609	29%	0.285	S	S	*	.	H	α-helix	trans	-63.6	-45.6	174.6	-173.6	175.3	-179.7	176.8	0	110.9	E478 I479 M480 L484 K485 M486	E478-K482 VanDerWaalsContact O-CB 3.31Å; E478-K482 WeakPolarHBondContact O-CB 3.25Å; E478-K482 PolarHBondContact O-N 2.81Å; I479-K482 PolarHBondContact O-N 3.49Å; M480-K482 VanDerWaalsContact C-N 3.35Å; M480-K482 PolarHBondContact O-N 3.16Å; K482-L484 PolarHBondContact O-N 2.75Å; K482-K485 PolarHBondContact O-N 2.98Å; K482-M486 HydrophobicContact CG-CG 4.43Å; K482-M486 WeakPolarHBondContact O-CB 3.45Å; K482-M486 VanDerWaalsContact O-CG 3.29Å; K482-M486 WeakPolarHBondContact O-CG 3.22Å; K482-M486 PolarHBondContact O-N 3.36Å
483	A	95.8	Very high	95.7	Very high	19 Å²	19	62.6 Å²	62.6	16%	0.157	30%	0.304	C	S	.	.	H	α-helix	trans	-60.1	-43.5	178.6	0	0	0	0	0	112.1	L445 I479 M480 M486 R487	L445-A483 HydrophobicContact CD1-CB 4.05Å; I479-A483 WeakPolarHBondContact O-CB 3.12Å; I479-A483 PolarHBondContact O-N 3.42Å; M480-A483 PolarHBondContact O-N 3.28Å; A483-M486 PolarHBondContact O-N 3.11Å; A483-R487 WeakPolarHBondContact O-CG 3.47Å; A483-R487 PolarHBondContact O-N 2.76Å
484	L	95.9	Very high	95.7	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-62.4	-45.8	173.8	-78.1	164.2	0	0	0	112.5	I151 F155 L445 I475 M480 Q481 K482 M486 R487 Y488	I151-L484 HydrophobicContact CD1-CB 4.44Å; I151-L484 HydrophobicContact CD1-CD2 3.94Å; F155-L484 HydrophobicContact CD2-CD1 3.58Å; F155-L484 HydrophobicContact CD2-CD2 4.13Å; F155-L484 HydrophobicContact CD2-CG 4.4Å; F155-L484 HydrophobicContact CE2-CD1 3.46Å; F155-L484 VanDerWaalsContact CE2-CD1 3.46Å; F155-L484 HydrophobicContact CG-CD1 4.32Å; F155-L484 HydrophobicContact CZ-CD1 4.11Å; L445-L484 HydrophobicContact CD2-CD2 3.47Å; L445-L484 VanDerWaalsContact CD2-CD2 3.47Å; L445-L484 HydrophobicContact CD2-CG 3.86Å; I475-L484 HydrophobicContact CD1-CD1 3.59Å; I475-L484 HydrophobicContact CG1-CD1 4.02Å; M480-L484 WeakPolarHBondContact O-CB 3.32Å; M480-L484 WeakPolarHBondContact O-CG 3.35Å; M480-L484 PolarHBondContact O-N 3.28Å; Q481-L484 PolarHBondContact O-N 2.96Å; K482-L484 PolarHBondContact O-N 2.75Å; L484-M486 VanDerWaalsContact C-N 3.32Å; L484-M486 PolarHBondContact O-N 3.41Å; L484-R487 PolarHBondContact O-N 3.45Å; L484-Y488 PolarHBondContact O-N 2.7Å
485	K	95.3	Very high	95.5	Very high	49 Å²	49	55.8 Å²	55.8	21%	0.213	29%	0.288	C	S	.	.	H	α-helix	trans	-59.7	-42.8	175.6	-77.8	-175.2	178.3	-168.1	0	111.7	T121 D124 Q481 K482 Y488 L489	T121-K485 HydrophobicContact CG2-CG 3.93Å; T121-K485 WeakPolarHBondContact O-CE 3.06Å; T121-K485 PolarHBondContact O-NZ 2.82Å; T121-K485 VanDerWaalsContact O-NZ 3.1Å; D124-K485 IonicContact OD1-NZ 2.67Å; D124-K485 PolarHBondContact OD1-NZ 2.77Å; D124-K485 VanDerWaalsContact OD1-NZ 3.09Å; D124-K485 IonicContact OD2-NZ 2.74Å; D124-K485 PolarHBondContact OD2-NZ 3.09Å; Q481-K485 WeakPolarHBondContact O-CG 3.38Å; Q481-K485 PolarHBondContact O-N 3.13Å; K482-K485 PolarHBondContact O-N 2.98Å; K485-Y488 WeakPolarHBondContact O-CB 3.49Å; K485-Y488 PolarHBondContact O-N 3.44Å; K485-L489 WeakPolarHBondContact O-CG 3.43Å; K485-L489 PolarHBondContact O-N 3.02Å
486	M	95.9	Very high	95.1	Very high	110 Å²	110	59.1 Å²	59.1	54%	0.542	30%	0.303	S	S	.	.	H	α-helix	trans	-64.8	-42	177.8	-70.3	-55.4	-64.2	0	0	111.6	K482 A483 L484 Y488 L489 A490	K482-M486 HydrophobicContact CG-CG 4.43Å; K482-M486 WeakPolarHBondContact O-CB 3.45Å; K482-M486 VanDerWaalsContact O-CG 3.29Å; K482-M486 WeakPolarHBondContact O-CG 3.22Å; K482-M486 PolarHBondContact O-N 3.36Å; A483-M486 PolarHBondContact O-N 3.11Å; L484-M486 VanDerWaalsContact C-N 3.32Å; L484-M486 PolarHBondContact O-N 3.41Å; M486-Y488 VanDerWaalsContact C-N 3.34Å; M486-Y488 PolarHBondContact O-N 3.22Å; M486-L489 PolarHBondContact O-N 3.27Å; M486-L489 HydrophobicContact SD-CD1 4.42Å; M486-A490 VanDerWaalsContact O-CB 3.3Å; M486-A490 WeakPolarHBondContact O-CB 3.04Å; M486-A490 PolarHBondContact O-N 2.97Å
487	R	95.9	Very high	94.6	Very high	84 Å²	84	57.5 Å²	57.5	32%	0.317	30%	0.299	S	S	.	.	H	α-helix	trans	-61.8	-40.5	173.7	-71.2	-67.3	-175.9	-169.8	0.9	112.3	L445 A483 L484 A491 G520 L522	L445-R487 HydrophobicContact CD1-CG 3.84Å; L445-R487 HydrophobicContact CD2-CG 4.19Å; A483-R487 WeakPolarHBondContact O-CG 3.47Å; A483-R487 PolarHBondContact O-N 2.76Å; L484-R487 PolarHBondContact O-N 3.45Å; R487-A491 PolarHBondContact O-N 3.1Å; R487-A491 VanDerWaalsContact O-N 3.14Å; R487-G520 WeakPolarHBondContact CD-O 3.13Å; R487-G520 PolarHBondContact NE-O 2.88Å; R487-G520 PolarHBondContact NH1-O 3.33Å; R487-L522 HydrophobicContact CB-CD1 3.77Å; R487-L522 HydrophobicContact CB-CG 4.06Å
488	Y	97.2	Very high	93.8	Very high	14 Å²	14	65.7 Å²	65.7	6%	0.055	33%	0.33	C	S	.	.	H	α-helix	trans	-63.8	-44.4	175.6	170.1	-101.7	0	0	0	112.4	F122 R147 E148 I151 L484 K485 M486 A491	F122-Y488 AromaticContact CE1-CD1 3.69Å; F122-Y488 HydrophobicContact CE1-CD1 3.69Å; F122-Y488 HydrophobicContact CE1-CD2 4.27Å; F122-Y488 HydrophobicContact CE1-CE1 4.06Å; F122-Y488 AromaticContact CE1-CG 3.78Å; F122-Y488 HydrophobicContact CE1-CG 3.78Å; F122-Y488 HydrophobicContact CZ-CD1 4.41Å; F122-Y488 HydrophobicContact CZ-CD2 4.49Å; F122-Y488 HydrophobicContact CZ-CG 4.08Å; R147-Y488 HydrophobicContact CB-CD2 4.29Å; R147-Y488 HydrophobicContact CB-CE2 3.79Å; E148-Y488 HydrophobicContact CG-CE2 4.4Å; E148-Y488 PolarHBondContact OE1-OH 2.84Å; I151-Y488 HydrophobicContact CB-CD2 3.82Å; I151-Y488 HydrophobicContact CB-CG 4.48Å; I151-Y488 HydrophobicContact CG1-CD2 4.38Å; I151-Y488 HydrophobicContact CG2-CD2 3.61Å; I151-Y488 HydrophobicContact CG2-CE2 4.08Å; L484-Y488 PolarHBondContact O-N 2.7Å; K485-Y488 WeakPolarHBondContact O-CB 3.49Å; K485-Y488 PolarHBondContact O-N 3.44Å; M486-Y488 VanDerWaalsContact C-N 3.34Å; M486-Y488 PolarHBondContact O-N 3.22Å; Y488-A491 WeakPolarHBondContact O-CB 3.45Å; Y488-A491 PolarHBondContact O-N 3.37Å
489	L	95.5	Very high	93.1	Very high	88 Å²	88	64 Å²	64	46%	0.461	33%	0.326	S	S	.	.	H	α-helix	trans	-65.3	-39.3	177.8	-77.4	176.5	0	0	0	112.7	R125 K485 M486 A491	R125-L489 VanDerWaalsContact NH1-CD2 3.3Å; K485-L489 WeakPolarHBondContact O-CG 3.43Å; K485-L489 PolarHBondContact O-N 3.02Å; M486-L489 PolarHBondContact O-N 3.27Å; M486-L489 HydrophobicContact SD-CD1 4.42Å; L489-A491 VanDerWaalsContact C-N 3.32Å
490	A	95.8	Very high	92.3	Very high	70 Å²	70	61.3 Å²	61.3	58%	0.579	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	10.3	-179.1	0	0	0	0	0	113.9	M486 K492	M486-A490 VanDerWaalsContact O-CB 3.3Å; M486-A490 WeakPolarHBondContact O-CB 3.04Å; M486-A490 PolarHBondContact O-N 2.97Å; A490-K492 PolarHBondContact O-N 3.25Å
491	A	96.9	Very high	91.9	Very high	14 Å²	14	62.8 Å²	62.8	12%	0.116	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-59.9	134.7	179.7	0	0	0	0	0	110.6	R147 R487 Y488 L489 L522 F524	R147-A491 HydrophobicContact CG-CB 4.15Å; R487-A491 PolarHBondContact O-N 3.1Å; R487-A491 VanDerWaalsContact O-N 3.14Å; Y488-A491 WeakPolarHBondContact O-CB 3.45Å; Y488-A491 PolarHBondContact O-N 3.37Å; L489-A491 VanDerWaalsContact C-N 3.32Å; A491-L522 CarbonylContact C-O 3.56Å; A491-L522 WeakPolarHBondContact CA-O 3.38Å; A491-L522 HydrophobicContact CB-CB 3.87Å; A491-F524 HydrophobicContact CB-CD1 4.04Å; A491-F524 HydrophobicContact CB-CE1 4.34Å; A491-F524 WeakPolarHBondContact O-CE1 2.89Å
492	K	95.9	Very high	91.8	Very high	44 Å²	44	61.5 Å²	61.5	19%	0.191	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	137.5	-177.6	-66.3	-177.7	179.2	172.7	0	110.8	A490 A504 E515 E521 L522 V523 F524	A490-K492 PolarHBondContact O-N 3.25Å; K492-A504 HydrophobicContact CB-CB 3.95Å; K492-A504 HydrophobicContact CD-CB 3.7Å; K492-A504 HydrophobicContact CG-CB 4.36Å; K492-E515 IonicContact NZ-OE2 3.3Å; K492-E515 PolarHBondContact NZ-OE2 2.96Å; K492-E521 WeakPolarHBondContact CE-OE1 3.44Å; K492-E521 WeakPolarHBondContact CE-OE2 3.45Å; K492-E521 IonicContact NZ-OE1 3.43Å; K492-E521 PolarHBondContact NZ-OE1 2.97Å; K492-E521 IonicContact NZ-OE2 2.82Å; K492-E521 PolarHBondContact NZ-OE2 3.3Å; K492-L522 PolarHBondContact N-O 3Å; K492-V523 WeakPolarHBondContact O-CA 3.49Å; K492-F524 VanDerWaalsContact C-CE1 3.44Å; K492-F524 WeakPolarHBondContact O-CD1 3.48Å; K492-F524 PolarHBondContact O-N 2.87Å
493	Q	95.8	Very high	91.8	Very high	85 Å²	85	56 Å²	56	40%	0.397	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	135.9	167.6	-166.7	176.1	10.5	0	0	109.2	F524 S525 H527	Q493-F524 CarbonylContact C-O 3.32Å; Q493-F524 VanDerWaalsContact CA-O 3.25Å; Q493-F524 WeakPolarHBondContact CA-O 3.49Å; Q493-F524 HydrophobicContact CB-CD2 4.36Å; Q493-F524 HydrophobicContact CB-CE1 3.99Å; Q493-F524 HydrophobicContact CB-CE2 3.74Å; Q493-F524 HydrophobicContact CB-CZ 3.55Å; Q493-F524 HydrophobicContact CG-CD2 4.16Å; Q493-F524 HydrophobicContact CG-CE2 3.73Å; Q493-F524 HydrophobicContact CG-CZ 4.09Å; Q493-S525 PolarHBondContact NE2-O 2.75Å; Q493-S525 VanDerWaalsContact NE2-O 3.09Å; Q493-H527 VanDerWaalsContact CD-CE1 3.47Å; Q493-H527 PolarHBondContact NE2-CE1 3.12Å; Q493-H527 PolarHBondContact OE1-CE1 2.82Å
494	V	95.4	Very high	91.6	Very high	11 Å²	11	55.2 Å²	55.2	7%	0.067	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	154.1	-176.2	-57.5	0	0	0	0	113.4	L434 L502 I503 A504 V517 V523 F524	L434-V494 HydrophobicContact CD2-CG2 3.32Å; V494-L502 HydrophobicContact CB-CB 4.4Å; V494-L502 HydrophobicContact CG1-CB 4.49Å; V494-L502 HydrophobicContact CG2-CB 4.37Å; V494-L502 HydrophobicContact CG2-CD2 4.14Å; V494-I503 CarbonylContact C-O 3.59Å; V494-I503 WeakPolarHBondContact CA-O 3.41Å; V494-I503 WeakPolarHBondContact CB-O 3.23Å; V494-A504 HydrophobicContact CG1-CB 4.17Å; V494-V517 HydrophobicContact CG1-CG1 3.6Å; V494-V523 HydrophobicContact CG1-CB 3.87Å; V494-V523 HydrophobicContact CG1-CG1 3.76Å; V494-V523 HydrophobicContact CG2-CB 4.05Å; V494-F524 PolarHBondContact N-O 3.09Å
495	S	92.1	Very high	91.3	Very high	57 Å²	57	62 Å²	62	40%	0.399	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	159.9	165.5	49.1	0	0	0	0	110.6	I503	S495-I503 PolarHBondContact N-O 3.47Å; S495-I503 PolarHBondContact O-N 3.29Å
496	E	87	Confident	90.9	Very high	78 Å²	78	60.9 Å²	60.9	36%	0.364	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	122.4	174.2	-163.4	168.9	-160.2	0	0	109.7	L430	L430-E496 HydrophobicContact CD1-CB 4.27Å
497	G	84.3	Confident	90.4	Very high	15 Å²	15	61.9 Å²	61.9	16%	0.155	32%	0.319	C	S	.	.			trans	-74	173.5	172.3	0	0	0	0	0	112.5	N499 G500 E501 I503	G497-N499 PolarHBondContact O-N 3.42Å; G497-N499 VanDerWaalsContact O-N 3.15Å; G497-G500 PolarHBondContact O-N 2.89Å; G497-G500 VanDerWaalsContact O-N 3.07Å; G497-E501 PolarHBondContact N-O 3.43Å; G497-I503 VanDerWaalsContact CA-CD1 3.47Å
498	K	80.2	Confident	89.9	Confident	218 Å²	218	62.8 Å²	62.8	95%	0.948	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-31.7	-179	-65.3	-177.6	-180	179.7	0	113.1
499	N	79.2	Confident	89.1	Confident	128 Å²	128	64.9 Å²	64.9	68%	0.684	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	14.5	-177.5	-58.8	-17.2	0	0	0	113.1	G497 E501	G497-N499 PolarHBondContact O-N 3.42Å; G497-N499 VanDerWaalsContact O-N 3.15Å; N499-E501 HydrophobicContact CB-CG 4.44Å; N499-E501 PolarHBondContact O-N 3.22Å
500	G	80	Confident	88.5	Confident	27 Å²	27	68.7 Å²	68.7	28%	0.278	38%	0.376	S	S	.	.	S	Bend	trans	75.9	7.4	-175.1	0	0	0	0	0	114.6	G497	G497-G500 PolarHBondContact O-N 2.89Å; G497-G500 VanDerWaalsContact O-N 3.07Å
501	E	87.5	Confident	88.1	Confident	31 Å²	31	66.7 Å²	66.7	15%	0.145	36%	0.362	C	S	.	.			trans	-64.7	142.8	171.7	-68.2	171.4	151.9	0	0	110.6	Q403 G497 N499 I503 V516	Q403-E501 HydrophobicContact CG-CG 3.88Å; G497-E501 PolarHBondContact N-O 3.43Å; N499-E501 HydrophobicContact CB-CG 4.44Å; N499-E501 PolarHBondContact O-N 3.22Å; E501-I503 HydrophobicContact CB-CG1 4.38Å; E501-I503 PolarHBondContact O-N 2.98Å; E501-V516 HydrophobicContact CB-CG1 4.34Å; E501-V516 HydrophobicContact CB-CG2 4.47Å
502	L	92.3	Very high	87.6	Confident	10 Å²	10	72.8 Å²	72.8	5%	0.052	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	111.3	173.1	-63.4	177.7	0	0	0	108.1	L430 L434 H437 V494 V517 V523	L430-L502 HydrophobicContact CD1-CD2 3.8Å; L434-L502 HydrophobicContact CD2-CD1 4.15Å; L434-L502 HydrophobicContact CD2-CD2 4.02Å; H437-L502 HydrophobicContact CB-CD1 3.84Å; V494-L502 HydrophobicContact CB-CB 4.4Å; V494-L502 HydrophobicContact CG1-CB 4.49Å; V494-L502 HydrophobicContact CG2-CB 4.37Å; V494-L502 HydrophobicContact CG2-CD2 4.14Å; L502-V517 HydrophobicContact CB-CG2 3.61Å; L502-V517 HydrophobicContact CD1-CG2 4.48Å; L502-V517 WeakPolarHBondContact O-CG2 3.25Å; L502-V517 PolarHBondContact O-N 3.49Å; L502-V517 VanDerWaalsContact O-N 3.12Å; L502-V523 HydrophobicContact CD1-CG2 3.99Å
503	I	93.3	Very high	87.3	Confident	24 Å²	24	74.8 Å²	74.8	12%	0.123	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	125.4	-174	-61.1	178.4	0	0	0	108.8	V494 S495 G497 E501 D514 E515	V494-I503 CarbonylContact C-O 3.59Å; V494-I503 WeakPolarHBondContact CA-O 3.41Å; V494-I503 WeakPolarHBondContact CB-O 3.23Å; S495-I503 PolarHBondContact N-O 3.47Å; S495-I503 PolarHBondContact O-N 3.29Å; G497-I503 VanDerWaalsContact CA-CD1 3.47Å; E501-I503 HydrophobicContact CB-CG1 4.38Å; E501-I503 PolarHBondContact O-N 2.98Å; I503-D514 HydrophobicContact CG2-CB 3.49Å; I503-D514 VanDerWaalsContact CG2-CB 3.49Å; I503-E515 WeakPolarHBondContact CA-O 3.24Å
504	A	93.3	Very high	87	Confident	2 Å²	2	75.4 Å²	75.4	2%	0.017	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	138.4	169.5	0	0	0	0	0	110	K492 V494 E515 V517	K492-A504 HydrophobicContact CB-CB 3.95Å; K492-A504 HydrophobicContact CD-CB 3.7Å; K492-A504 HydrophobicContact CG-CB 4.36Å; V494-A504 HydrophobicContact CG1-CB 4.17Å; A504-E515 PolarHBondContact N-O 3.28Å; A504-E515 PolarHBondContact O-N 2.93Å; A504-V517 HydrophobicContact CB-CG1 3.85Å
505	K	89.7	Confident	86.8	Confident	142 Å²	142	77.6 Å²	77.6	62%	0.617	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.2	117.1	170.8	-66.1	-169	173.5	-172.7	0	109.1	F512 D514	K505-F512 HydrophobicContact CB-CD1 4.29Å; K505-D514 WeakPolarHBondContact CG-OD1 3.2Å
506	T	86.1	Confident	86.7	Confident	26 Å²	26	76.8 Å²	76.8	16%	0.16	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	133.4	178.6	57.3	0	0	0	0	110	I508 F512 I513 E515	T506-I508 PolarHBondContact O-N 2.94Å; T506-F512 CarbonylContact O-C 3.48Å; T506-F512 WeakPolarHBondContact O-CA 3.02Å; T506-I513 PolarHBondContact N-O 3.3Å; T506-I513 PolarHBondContact O-N 2.95Å; T506-I513 PolarHBondContact OG1-O 2.86Å; T506-E515 HydrophobicContact CG2-CB 4.15Å; T506-E515 WeakPolarHBondContact CG2-OE2 3.08Å
507	F	85.5	Confident	87	Confident	132 Å²	132	73.1 Å²	73.1	58%	0.579	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.1	113.8	177.9	-172.7	-101.2	0	0	0	109.1	G509 G511 F512	F507-G509 VanDerWaalsContact CE1-O 3.24Å; F507-G509 WeakPolarHBondContact CE1-O 3.42Å; F507-G509 VanDerWaalsContact CZ-O 3.25Å; F507-G509 WeakPolarHBondContact CZ-O 3.44Å; F507-G511 WeakPolarHBondContact CA-O 3.36Å; F507-F512 HydrophobicContact CB-CD1 4.08Å; F507-F512 HydrophobicContact CB-CE1 3.87Å; F507-F512 HydrophobicContact CB-CZ 4.5Å; F507-F512 HydrophobicContact CD2-CD1 4.22Å; F507-F512 HydrophobicContact CD2-CD2 4.22Å; F507-F512 AromaticContact CD2-CE1 3.99Å; F507-F512 HydrophobicContact CD2-CE1 3.99Å; F507-F512 AromaticContact CD2-CE2 3.98Å; F507-F512 HydrophobicContact CD2-CE2 3.98Å; F507-F512 HydrophobicContact CD2-CG 4.33Å; F507-F512 AromaticContact CD2-CZ 3.86Å; F507-F512 HydrophobicContact CD2-CZ 3.86Å; F507-F512 HydrophobicContact CE2-CE2 4.49Å; F507-F512 HydrophobicContact CG-CE1 4.39Å
508	I	84.2	Confident	87.3	Confident	102 Å²	102	77.8 Å²	77.8	52%	0.523	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	111.6	179.8	-62.4	175.6	0	0	0	107.8	T506 N510 G511 I513	T506-I508 PolarHBondContact O-N 2.94Å; I508-N510 PolarHBondContact O-N 3.23Å; I508-G511 PolarHBondContact N-O 3.45Å; I508-G511 PolarHBondContact O-N 3.3Å; I508-I513 HydrophobicContact CB-CD1 3.87Å; I508-I513 HydrophobicContact CB-CG1 4.35Å; I508-I513 HydrophobicContact CD1-CB 4.38Å; I508-I513 HydrophobicContact CD1-CD1 3.98Å; I508-I513 HydrophobicContact CD1-CG1 4.49Å; I508-I513 HydrophobicContact CG1-CD1 4.39Å; I508-I513 HydrophobicContact CG2-CD1 4.23Å
509	G	81.9	Confident	87.7	Confident	58 Å²	58	68.9 Å²	68.9	60%	0.598	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	-93	178	0	0	0	0	0	112.7	F507	F507-G509 VanDerWaalsContact CE1-O 3.24Å; F507-G509 WeakPolarHBondContact CE1-O 3.42Å; F507-G509 VanDerWaalsContact CZ-O 3.25Å; F507-G509 WeakPolarHBondContact CZ-O 3.44Å
510	N	82.3	Confident	88.2	Confident	169 Å²	169	63.3 Å²	63.3	90%	0.904	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.2	6.4	-169.6	-61.4	0.2	0	0	0	113.2	I508	I508-N510 PolarHBondContact O-N 3.23Å
511	G	86.5	Confident	88.9	Confident	28 Å²	28	63.5 Å²	63.5	29%	0.289	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165	172.4	-177.1	0	0	0	0	0	114.6	F507 I508	F507-G511 WeakPolarHBondContact CA-O 3.36Å; I508-G511 PolarHBondContact N-O 3.45Å; I508-G511 PolarHBondContact O-N 3.3Å
512	F	87.9	Confident	89.4	Confident	142 Å²	142	62.2 Å²	62.2	62%	0.623	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90	129.1	173.1	-67.7	-83.8	0	0	0	110	K505 T506 F507	K505-F512 HydrophobicContact CB-CD1 4.29Å; T506-F512 CarbonylContact O-C 3.48Å; T506-F512 WeakPolarHBondContact O-CA 3.02Å; F507-F512 HydrophobicContact CB-CD1 4.08Å; F507-F512 HydrophobicContact CB-CE1 3.87Å; F507-F512 HydrophobicContact CB-CZ 4.5Å; F507-F512 HydrophobicContact CD2-CD1 4.22Å; F507-F512 HydrophobicContact CD2-CD2 4.22Å; F507-F512 AromaticContact CD2-CE1 3.99Å; F507-F512 HydrophobicContact CD2-CE1 3.99Å; F507-F512 AromaticContact CD2-CE2 3.98Å; F507-F512 HydrophobicContact CD2-CE2 3.98Å; F507-F512 HydrophobicContact CD2-CG 4.33Å; F507-F512 AromaticContact CD2-CZ 3.86Å; F507-F512 HydrophobicContact CD2-CZ 3.86Å; F507-F512 HydrophobicContact CE2-CE2 4.49Å; F507-F512 HydrophobicContact CG-CE1 4.39Å
513	I	88.8	Confident	89.6	Confident	86 Å²	86	61.7 Å²	61.7	44%	0.441	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	133.4	175.5	-54.4	-176.2	0	0	0	108.2	T506 I508 E515	T506-I513 PolarHBondContact N-O 3.3Å; T506-I513 PolarHBondContact O-N 2.95Å; T506-I513 PolarHBondContact OG1-O 2.86Å; I508-I513 HydrophobicContact CB-CD1 3.87Å; I508-I513 HydrophobicContact CB-CG1 4.35Å; I508-I513 HydrophobicContact CD1-CB 4.38Å; I508-I513 HydrophobicContact CD1-CD1 3.98Å; I508-I513 HydrophobicContact CD1-CG1 4.49Å; I508-I513 HydrophobicContact CG1-CD1 4.39Å; I508-I513 HydrophobicContact CG2-CD1 4.23Å; I513-E515 PolarHBondContact O-N 3.42Å
514	D	89.3	Confident	89.8	Confident	98 Å²	98	61.2 Å²	61.2	52%	0.524	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	111.2	173.1	-77.9	1.1	0	0	0	108.7	I503 K505	I503-D514 HydrophobicContact CG2-CB 3.49Å; I503-D514 VanDerWaalsContact CG2-CB 3.49Å; K505-D514 WeakPolarHBondContact CG-OD1 3.2Å
515	E	90.8	Very high	89.8	Confident	56 Å²	56	62.5 Å²	62.5	26%	0.262	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	133.8	177.6	-169.3	-165.3	-170.3	0	0	109.5	K492 I503 A504 T506 I513 K518	K492-E515 IonicContact NZ-OE2 3.3Å; K492-E515 PolarHBondContact NZ-OE2 2.96Å; I503-E515 WeakPolarHBondContact CA-O 3.24Å; A504-E515 PolarHBondContact N-O 3.28Å; A504-E515 PolarHBondContact O-N 2.93Å; T506-E515 HydrophobicContact CG2-CB 4.15Å; T506-E515 WeakPolarHBondContact CG2-OE2 3.08Å; I513-E515 PolarHBondContact O-N 3.42Å; E515-K518 WeakPolarHBondContact OE1-CE 3.29Å; E515-K518 IonicContact OE1-NZ 3.37Å
516	V	91	Very high	90	Very high	41 Å²	41	57.7 Å²	57.7	25%	0.248	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	129	169.4	-172.8	0	0	0	0	109.5	Y399 E501	Y399-V516 HydrophobicContact CD1-CB 4.19Å; Y399-V516 HydrophobicContact CD1-CG1 3.24Å; Y399-V516 HydrophobicContact CE1-CG1 3.31Å; Y399-V516 HydrophobicContact CG-CG1 4.02Å; E501-V516 HydrophobicContact CB-CG1 4.34Å; E501-V516 HydrophobicContact CB-CG2 4.47Å
517	V	92.4	Very high	90.5	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-64.5	142.2	-174.4	-63.9	0	0	0	0	113.2	Y399 H437 V494 L502 A504 V523	Y399-V517 WeakPolarHBondContact CE2-O 2.74Å; Y399-V517 PolarHBondContact OH-O 3.22Å; H437-V517 VanDerWaalsContact CE1-CG2 3.48Å; H437-V517 WeakPolarHBondContact CE1-CG2 3.3Å; V494-V517 HydrophobicContact CG1-CG1 3.6Å; L502-V517 HydrophobicContact CB-CG2 3.61Å; L502-V517 HydrophobicContact CD1-CG2 4.48Å; L502-V517 WeakPolarHBondContact O-CG2 3.25Å; L502-V517 PolarHBondContact O-N 3.49Å; L502-V517 VanDerWaalsContact O-N 3.12Å; A504-V517 HydrophobicContact CB-CG1 3.85Å; V517-V523 HydrophobicContact CB-CG1 3.96Å; V517-V523 HydrophobicContact CG1-CG1 3.76Å; V517-V523 HydrophobicContact CG2-CG1 3.99Å
518	K	91.1	Very high	91	Very high	114 Å²	114	56.9 Å²	56.9	50%	0.496	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-79.5	153.2	179.3	-62	172	-174	169.3	0	111	H437 E515 G520 E521	H437-K518 PolarHBondContact CE1-O 2.97Å; H437-K518 VanDerWaalsContact CE1-O 3.26Å; H437-K518 PolarHBondContact NE2-O 3.38Å; E515-K518 WeakPolarHBondContact OE1-CE 3.29Å; E515-K518 IonicContact OE1-NZ 3.37Å; K518-G520 PolarHBondContact O-N 3.38Å; K518-G520 VanDerWaalsContact O-N 3.1Å; K518-E521 HydrophobicContact CB-CG 3.97Å; K518-E521 PolarHBondContact N-OE2 3.24Å; K518-E521 WeakPolarHBondContact O-CB 3.46Å; K518-E521 PolarHBondContact O-N 2.86Å
519	P	89.3	Confident	91.5	Very high	31 Å²	31	52.5 Å²	52.5	20%	0.201	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-28.7	-176.5	-26.3	35.4	0	0	0	115.1	V276 Y399 L440 A441 V444	V276-P519 HydrophobicContact CG2-CB 4.07Å; V276-P519 HydrophobicContact CG2-CG 4.46Å; Y399-P519 HydrophobicContact CE2-CG 4.07Å; L440-P519 HydrophobicContact CD2-CB 4.09Å; L440-P519 HydrophobicContact CG-CB 4.46Å; A441-P519 WeakPolarHBondContact CA-O 3.42Å; A441-P519 WeakPolarHBondContact CB-O 3.37Å; A441-P519 PolarHBondContact N-O 2.91Å; V444-P519 HydrophobicContact CG2-CB 4.4Å
520	G	89.7	Confident	92.1	Very high	10 Å²	10	53.7 Å²	53.7	10%	0.103	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-2.9	178.7	0	0	0	0	0	115	R487 K518	R487-G520 WeakPolarHBondContact CD-O 3.13Å; R487-G520 PolarHBondContact NE-O 2.88Å; R487-G520 PolarHBondContact NH1-O 3.33Å; K518-G520 PolarHBondContact O-N 3.38Å; K518-G520 VanDerWaalsContact O-N 3.1Å
521	E	94.2	Very high	92.8	Very high	31 Å²	31	46.4 Å²	46.4	15%	0.145	24%	0.242	C	C	.	.	S	Bend	trans	-86.9	140.6	-178.6	-66.8	177.1	158.8	0	0	110.9	H437 K492 K518	H437-E521 PolarHBondContact CD2-O 3.5Å; H437-E521 VanDerWaalsContact CD2-O 3.23Å; H437-E521 PolarHBondContact NE2-O 3.34Å; K492-E521 WeakPolarHBondContact CE-OE1 3.44Å; K492-E521 WeakPolarHBondContact CE-OE2 3.45Å; K492-E521 IonicContact NZ-OE1 3.43Å; K492-E521 PolarHBondContact NZ-OE1 2.97Å; K492-E521 IonicContact NZ-OE2 2.82Å; K492-E521 PolarHBondContact NZ-OE2 3.3Å; K518-E521 HydrophobicContact CB-CG 3.97Å; K518-E521 PolarHBondContact N-OE2 3.24Å; K518-E521 WeakPolarHBondContact O-CB 3.46Å; K518-E521 PolarHBondContact O-N 2.86Å
522	L	96.8	Very high	93.3	Very high	4 Å²	4	45.7 Å²	45.7	2%	0.021	23%	0.233	C	C	.	.			trans	-84.6	142.8	171.6	-65.2	-173.6	0	0	0	110.5	I151 A154 A441 R487 A491 K492	I151-L522 HydrophobicContact CB-CD1 4.27Å; I151-L522 HydrophobicContact CD1-CD1 3.62Å; A154-L522 HydrophobicContact CB-CD1 4.42Å; A154-L522 HydrophobicContact CB-CD2 3.46Å; A154-L522 VanDerWaalsContact CB-CD2 3.46Å; A441-L522 HydrophobicContact CB-CD2 3.68Å; R487-L522 HydrophobicContact CB-CD1 3.77Å; R487-L522 HydrophobicContact CB-CG 4.06Å; A491-L522 CarbonylContact C-O 3.56Å; A491-L522 WeakPolarHBondContact CA-O 3.38Å; A491-L522 HydrophobicContact CB-CB 3.87Å; K492-L522 PolarHBondContact N-O 3Å
523	V	97.3	Very high	93.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	142.5	-173.3	-60.9	0	0	0	0	111.9	A150 L434 H437 N438 K492 V494 L502 V517	A150-V523 VanDerWaalsContact CB-O 3.31Å; A150-V523 WeakPolarHBondContact CB-O 3.4Å; L434-V523 HydrophobicContact CD2-CB 4.19Å; L434-V523 HydrophobicContact CD2-CG2 3.69Å; H437-V523 HydrophobicContact CB-CG2 4.03Å; H437-V523 VanDerWaalsContact CD2-CG2 3.41Å; H437-V523 WeakPolarHBondContact CD2-CG2 3.4Å; N438-V523 PolarHBondContact ND2-O 3.36Å; N438-V523 PolarHBondContact OD1-N 3.28Å; N438-V523 PolarHBondContact OD1-O 2.82Å; K492-V523 WeakPolarHBondContact O-CA 3.49Å; V494-V523 HydrophobicContact CG1-CB 3.87Å; V494-V523 HydrophobicContact CG1-CG1 3.76Å; V494-V523 HydrophobicContact CG2-CB 4.05Å; L502-V523 HydrophobicContact CD1-CG2 3.99Å; V517-V523 HydrophobicContact CB-CG1 3.96Å; V517-V523 HydrophobicContact CG1-CG1 3.76Å; V517-V523 HydrophobicContact CG2-CG1 3.99Å
524	F	96.9	Very high	94.1	Very high	13 Å²	13	43.7 Å²	43.7	6%	0.057	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	158.4	177.1	73.4	-86.7	0	0	0	110.2	G145 R147 A491 K492 Q493 V494 E526 H527	G145-F524 WeakPolarHBondContact O-CB 3.29Å; R147-F524 HydrophobicContact CG-CB 4.23Å; R147-F524 HydrophobicContact CG-CD1 3.32Å; R147-F524 HydrophobicContact CG-CD2 4.06Å; R147-F524 HydrophobicContact CG-CE1 3.5Å; R147-F524 VanDerWaalsContact CG-CE1 3.5Å; R147-F524 HydrophobicContact CG-CE2 4.22Å; R147-F524 HydrophobicContact CG-CG 3.6Å; R147-F524 HydrophobicContact CG-CZ 3.95Å; A491-F524 HydrophobicContact CB-CD1 4.04Å; A491-F524 HydrophobicContact CB-CE1 4.34Å; A491-F524 WeakPolarHBondContact O-CE1 2.89Å; K492-F524 VanDerWaalsContact C-CE1 3.44Å; K492-F524 WeakPolarHBondContact O-CD1 3.48Å; K492-F524 PolarHBondContact O-N 2.87Å; Q493-F524 CarbonylContact C-O 3.32Å; Q493-F524 VanDerWaalsContact CA-O 3.25Å; Q493-F524 WeakPolarHBondContact CA-O 3.49Å; Q493-F524 HydrophobicContact CB-CD2 4.36Å; Q493-F524 HydrophobicContact CB-CE1 3.99Å; Q493-F524 HydrophobicContact CB-CE2 3.74Å; Q493-F524 HydrophobicContact CB-CZ 3.55Å; Q493-F524 HydrophobicContact CG-CD2 4.16Å; Q493-F524 HydrophobicContact CG-CE2 3.73Å; Q493-F524 HydrophobicContact CG-CZ 4.09Å; V494-F524 PolarHBondContact N-O 3.09Å; F524-E526 VanDerWaalsContact CD2-O 3.25Å; F524-E526 WeakPolarHBondContact CD2-O 3.33Å; F524-H527 AromaticContact CE2-ND1 3.95Å
525	S	95	Very high	94.4	Very high	29 Å²	29	42.7 Å²	42.7	20%	0.203	23%	0.225	C	C	.	.	S	Bend	trans	-111.4	-34.8	178.3	54.8	0	0	0	0	112.9	G145 L434 Q493	G145-S525 PolarHBondContact O-N 3.1Å; L434-S525 WeakPolarHBondContact CD1-OG 3.28Å; Q493-S525 PolarHBondContact NE2-O 2.75Å; Q493-S525 VanDerWaalsContact NE2-O 3.09Å
526	E	93.8	Very high	94.5	Very high	41 Å²	41	44.6 Å²	44.6	19%	0.192	24%	0.242	C	C	.	.	S	Bend	trans	-107.8	137.1	-175.5	-169.7	174.9	149.6	0	0	111	R144 G145 T146 F524 R538	R144-E526 WeakPolarHBondContact CB-OE2 3.34Å; R144-E526 WeakPolarHBondContact CD-OE2 3.3Å; R144-E526 WeakPolarHBondContact O-CB 3.34Å; G145-E526 PolarHBondContact O-N 2.82Å; T146-E526 WeakPolarHBondContact CA-O 3.44Å; F524-E526 VanDerWaalsContact CD2-O 3.25Å; F524-E526 WeakPolarHBondContact CD2-O 3.33Å; E526-R538 IonicContact OE1-CZ 2.91Å; E526-R538 IonicContact OE1-NH1 2.67Å; E526-R538 PolarHBondContact OE1-NH1 2.88Å; E526-R538 IonicContact OE1-NH2 3.82Å; E526-R538 PolarHBondContact OE1-NH2 2.83Å
527	H	95.4	Very high	94.6	Very high	119 Å²	119	49.3 Å²	49.3	55%	0.551	26%	0.261	S	S	*	.	P	Polyproline II helix	trans	-61.8	139.8	175.6	-66.8	-36.6	0	0	0	112.4	Q493 F524 R538	Q493-H527 VanDerWaalsContact CD-CE1 3.47Å; Q493-H527 PolarHBondContact NE2-CE1 3.12Å; Q493-H527 PolarHBondContact OE1-CE1 2.82Å; F524-H527 AromaticContact CE2-ND1 3.95Å; H527-R538 PolarHBondContact O-NH2 2.8Å
528	S	95.6	Very high	94.6	Very high	22 Å²	22	52.7 Å²	52.7	15%	0.154	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-59.7	147.5	174.2	-56.1	0	0	0	0	111.1	R147 E148	R147-S528 PolarHBondContact NE-OG 2.88Å; E148-S528 VanDerWaalsContact CD-OG 3.3Å; E148-S528 VanDerWaalsContact OE1-CB 3.27Å; E148-S528 WeakPolarHBondContact OE1-CB 3.29Å; E148-S528 PolarHBondContact OE1-OG 3.34Å; E148-S528 PolarHBondContact OE2-OG 2.58Å; E148-S528 VanDerWaalsContact OE2-OG 3.13Å
529	P	95.2	Very high	94.7	Very high	10 Å²	10	47.8 Å²	47.8	7%	0.065	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-58.8	164.7	164.4	-15.2	28.8	0	0	0	112	Y531 R538	P529-Y531 VanDerWaalsContact C-N 3.29Å; P529-Y531 HydrophobicContact CB-CE1 4.32Å; P529-Y531 HydrophobicContact CB-CE2 4.37Å; P529-Y531 WeakPolarHBondContact CD-OH 3.49Å; P529-Y531 HydrophobicContact CG-CE1 4.18Å; P529-Y531 HydrophobicContact CG-CE2 4.38Å; P529-Y531 WeakPolarHBondContact O-CD2 3.29Å; P529-Y531 WeakPolarHBondContact O-CE2 3.44Å; P529-Y531 PolarHBondContact O-N 2.65Å; P529-R538 HydrophobicContact CB-CB 4.1Å; P529-R538 HydrophobicContact CG-CB 3.87Å; P529-R538 WeakPolarHBondContact CG-O 2.95Å
530	D	94.5	Very high	95	Very high	84 Å²	84	46.3 Å²	46.3	45%	0.449	25%	0.246	S	C	.	.			trans	-73.6	-20.9	179.4	73.5	-9.4	0	0	0	113.9	C532	D530-C532 PolarHBondContact O-N 3.14Å; D530-C532 PolarHBondContact OD1-N 3.09Å
531	Y	97.1	Very high	95.2	Very high	16 Å²	16	50.6 Å²	50.6	6%	0.063	27%	0.27	C	S	.	.			trans	58.9	2.1	-175.8	-63.1	-72	0	0	0	116.3	W127 E141 E148 P529 S540 G542 T543	W127-Y531 HydrophobicContact CB-CD1 3.98Å; W127-Y531 HydrophobicContact CB-CD2 3.88Å; W127-Y531 HydrophobicContact CB-CE1 3.91Å; W127-Y531 HydrophobicContact CB-CE2 3.77Å; W127-Y531 HydrophobicContact CB-CG 3.97Å; W127-Y531 AromaticContact CD1-CE1 3.65Å; W127-Y531 AromaticContact CD1-CZ 3.81Å; W127-Y531 HydrophobicContact CG-CE1 4.09Å; W127-Y531 HydrophobicContact CG-CE2 4.36Å; W127-Y531 AromaticContact CG-CZ 3.97Å; E141-Y531 WeakPolarHBondContact CB-OH 3.43Å; E148-Y531 HydrophobicContact CG-CE2 4.23Å; E148-Y531 VanDerWaalsContact CG-OH 3.28Å; E148-Y531 WeakPolarHBondContact CG-OH 3.33Å; E148-Y531 PolarHBondContact OE2-OH 3.2Å; P529-Y531 VanDerWaalsContact C-N 3.29Å; P529-Y531 HydrophobicContact CB-CE1 4.32Å; P529-Y531 HydrophobicContact CB-CE2 4.37Å; P529-Y531 WeakPolarHBondContact CD-OH 3.49Å; P529-Y531 HydrophobicContact CG-CE1 4.18Å; P529-Y531 HydrophobicContact CG-CE2 4.38Å; P529-Y531 WeakPolarHBondContact O-CD2 3.29Å; P529-Y531 WeakPolarHBondContact O-CE2 3.44Å; P529-Y531 PolarHBondContact O-N 2.65Å; Y531-S540 VanDerWaalsContact CA-OG 3.3Å; Y531-S540 WeakPolarHBondContact CA-OG 3.47Å; Y531-G542 CarbonylContact O-C 3.59Å; Y531-G542 WeakPolarHBondContact O-CA 3.33Å; Y531-T543 WeakPolarHBondContact O-CG2 3.03Å
532	C	96.9	Very high	95.3	Very high	13 Å²	13	49.6 Å²	49.6	9%	0.088	27%	0.268	C	S	.	.	S	Bend	trans	-76	-47.9	-177.6	-78.6	0	0	0	0	112.4	R126 D530 G542 T543 C563 R565	R126-C532 PolarHBondContact NH1-SG 3.45Å; D530-C532 PolarHBondContact O-N 3.14Å; D530-C532 PolarHBondContact OD1-N 3.09Å; C532-G542 WeakPolarHBondContact O-CA 3.05Å; C532-T543 PolarHBondContact O-N 3.47Å; C532-T543 VanDerWaalsContact O-N 3.15Å; C532-C563 WeakPolarHBondContact CA-SG 3.5Å; C532-C563 HydrophobicContact CB-CB 3.79Å; C532-C563 WeakPolarHBondContact CB-SG 2.96Å; C532-C563 WeakPolarHBondContact SG-CB 3.05Å; C532-C563 CovalentContact SG-SG 2.04Å; C532-C563 PolarHBondContact SG-SG 2.03Å; C532-R565 PolarHBondContact O-NH1 2.88Å; C532-R565 PolarHBondContact O-NH2 2.04Å
533	N	96.3	Very high	95.3	Very high	88 Å²	88	49.4 Å²	49.4	47%	0.471	27%	0.267	S	S	.	.	S	Bend	trans	-109.9	155	-176.2	-63.5	-47.8	0	0	0	110.2	E535 S540 R565	N533-E535 PolarHBondContact O-N 2.72Å; N533-S540 WeakPolarHBondContact O-CB 3.31Å; N533-S540 PolarHBondContact O-OG 3.01Å; N533-R565 PolarHBondContact OD1-NH1 2.7Å
534	V	96.7	Very high	95.3	Very high	97 Å²	97	57.1 Å²	57.1	59%	0.588	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.4	118.8	178.4	-173.8	0	0	0	0	108.4	P536 V541	V534-P536 HydrophobicContact CG1-CG 4.03Å; V534-V541 WeakPolarHBondContact CG2-O 3.31Å
535	E	96.2	Very high	95.3	Very high	77 Å²	77	60.2 Å²	60.2	36%	0.36	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	82.2	176.2	-165.9	-176.4	-173	0	0	108.7	N533 Q537 R538 G539 S540	N533-E535 PolarHBondContact O-N 2.72Å; E535-Q537 PolarHBondContact O-N 3.19Å; E535-Q537 VanDerWaalsContact O-N 3.14Å; E535-R538 HydrophobicContact CB-CB 4.49Å; E535-R538 VanDerWaalsContact CD-CD 3.46Å; E535-R538 VanDerWaalsContact CD-CG 3.44Å; E535-R538 HydrophobicContact CG-CB 4.04Å; E535-R538 HydrophobicContact CG-CG 4.19Å; E535-R538 PolarHBondContact O-N 2.98Å; E535-R538 WeakPolarHBondContact OE1-CD 3.15Å; E535-R538 VanDerWaalsContact OE1-CG 3.31Å; E535-R538 WeakPolarHBondContact OE1-CG 3.43Å; E535-R538 WeakPolarHBondContact OE2-CB 3.34Å; E535-R538 WeakPolarHBondContact OE2-CD 3.37Å; E535-R538 WeakPolarHBondContact OE2-CG 3.44Å; E535-G539 PolarHBondContact O-N 3.13Å; E535-S540 CarbonylContact C-O 3.52Å; E535-S540 PolarHBondContact N-O 3.42Å; E535-S540 PolarHBondContact O-N 2.81Å
536	P	93.4	Very high	95.3	Very high	96 Å²	96	61.1 Å²	61.1	62%	0.623	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-30.4	-172.2	-24	35.4	0	0	0	112.2	P140 V534 G539	P140-P536 WeakPolarHBondContact CG-O 3.11Å; V534-P536 HydrophobicContact CG1-CG 4.03Å; P536-G539 PolarHBondContact O-N 3.42Å
537	Q	92.5	Very high	95.4	Very high	140 Å²	140	63.8 Å²	63.8	65%	0.654	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-40.7	177.7	-64.4	-59.5	-15.4	0	0	111.6	P140 R144 E535	P140-Q537 VanDerWaalsContact CB-O 3.23Å; P140-Q537 WeakPolarHBondContact CB-O 3.22Å; R144-Q537 PolarHBondContact NH1-O 3.19Å; R144-Q537 PolarHBondContact NH2-O 3.25Å; E535-Q537 PolarHBondContact O-N 3.19Å; E535-Q537 VanDerWaalsContact O-N 3.14Å
538	R	93	Very high	95.4	Very high	71 Å²	71	58.4 Å²	58.4	27%	0.268	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-13	178.2	-69.8	-164.1	68.8	74.5	5	113.5	E141 E526 H527 P529 E535	E141-R538 PolarHBondContact N-O 3.17Å; E526-R538 IonicContact OE1-CZ 2.91Å; E526-R538 IonicContact OE1-NH1 2.67Å; E526-R538 PolarHBondContact OE1-NH1 2.88Å; E526-R538 IonicContact OE1-NH2 3.82Å; E526-R538 PolarHBondContact OE1-NH2 2.83Å; H527-R538 PolarHBondContact O-NH2 2.8Å; P529-R538 HydrophobicContact CB-CB 4.1Å; P529-R538 HydrophobicContact CG-CB 3.87Å; P529-R538 WeakPolarHBondContact CG-O 2.95Å; E535-R538 HydrophobicContact CB-CB 4.49Å; E535-R538 VanDerWaalsContact CD-CD 3.46Å; E535-R538 VanDerWaalsContact CD-CG 3.44Å; E535-R538 HydrophobicContact CG-CB 4.04Å; E535-R538 HydrophobicContact CG-CG 4.19Å; E535-R538 PolarHBondContact O-N 2.98Å; E535-R538 WeakPolarHBondContact OE1-CD 3.15Å; E535-R538 VanDerWaalsContact OE1-CG 3.31Å; E535-R538 WeakPolarHBondContact OE1-CG 3.43Å; E535-R538 WeakPolarHBondContact OE2-CB 3.34Å; E535-R538 WeakPolarHBondContact OE2-CD 3.37Å; E535-R538 WeakPolarHBondContact OE2-CG 3.44Å
539	G	92	Very high	95.3	Very high	11 Å²	11	58.8 Å²	58.8	11%	0.113	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	95.9	9.8	-179.2	0	0	0	0	0	113.9	E141 E535 P536	E141-G539 VanDerWaalsContact OE2-CA 3.29Å; E141-G539 WeakPolarHBondContact OE2-CA 3.44Å; E535-G539 PolarHBondContact O-N 3.13Å; P536-G539 PolarHBondContact O-N 3.42Å
540	S	96	Very high	95.3	Very high	1 Å²	1	62.2 Å²	62.2	1%	0.007	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	127.3	175.6	178.9	0	0	0	0	111	Y531 N533 E535 G542	Y531-S540 VanDerWaalsContact CA-OG 3.3Å; Y531-S540 WeakPolarHBondContact CA-OG 3.47Å; N533-S540 WeakPolarHBondContact O-CB 3.31Å; N533-S540 PolarHBondContact O-OG 3.01Å; E535-S540 CarbonylContact C-O 3.52Å; E535-S540 PolarHBondContact N-O 3.42Å; E535-S540 PolarHBondContact O-N 2.81Å; S540-G542 PolarHBondContact OG-N 3.26Å
541	V	94.9	Very high	95.1	Very high	100 Å²	100	67.8 Å²	67.8	61%	0.606	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95	-4	172.9	-61.7	0	0	0	0	113	V534	V534-V541 WeakPolarHBondContact CG2-O 3.31Å
542	G	96.5	Very high	94.6	Very high	9 Å²	9	69.8 Å²	69.8	9%	0.093	35%	0.353	C	S	.	.			trans	73	170.2	-174.1	0	0	0	0	0	114.3	Y531 C532 S540	Y531-G542 CarbonylContact O-C 3.59Å; Y531-G542 WeakPolarHBondContact O-CA 3.33Å; C532-G542 WeakPolarHBondContact O-CA 3.05Å; S540-G542 PolarHBondContact OG-N 3.26Å
543	T	97.2	Very high	94.3	Very high	0 Å²	0	75.6 Å²	75.6	0%	0	39%	0.389	C	S	.	.			trans	-110.2	12.9	179.7	58.7	0	0	0	0	115.7	R126 Y531 C532 R546 M561 R565 C602	R126-T543 HydrophobicContact CB-CG2 3.66Å; R126-T543 HydrophobicContact CG-CG2 3.81Å; Y531-T543 WeakPolarHBondContact O-CG2 3.03Å; C532-T543 PolarHBondContact O-N 3.47Å; C532-T543 VanDerWaalsContact O-N 3.15Å; T543-R546 HydrophobicContact CG2-CG 4.38Å; T543-R546 VanDerWaalsContact O-CB 3.28Å; T543-R546 WeakPolarHBondContact O-CB 3.39Å; T543-R546 VanDerWaalsContact O-CG 3.29Å; T543-R546 WeakPolarHBondContact O-CG 3.32Å; T543-R546 PolarHBondContact O-N 2.03Å; T543-M561 WeakPolarHBondContact CB-O 3.05Å; T543-M561 WeakPolarHBondContact CG2-O 3.4Å; T543-M561 HydrophobicContact CG2-SD 4.29Å; T543-M561 PolarHBondContact OG1-O 2.83Å; T543-R565 PolarHBondContact OG1-NH2 3.27Å; T543-C602 WeakPolarHBondContact O-CB 3.06Å
544	R	96.5	Very high	94	Very high	162 Å²	162	73 Å²	73	61%	0.611	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	143	173.3	-67.9	-169.7	173.3	163.3	-0.5	110.4	R546	R544-R546 PolarHBondContact O-N 3.3Å
545	D	96.1	Very high	93.8	Very high	78 Å²	78	71 Å²	71	42%	0.417	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.2	7.3	-177.5	-69.9	-53.3	0	0	0	116.5	R568 R601 C602	D545-R568 IonicContact OD1-CZ 3.22Å; D545-R568 IonicContact OD1-NE 2.75Å; D545-R568 IonicContact OD1-NH2 3.09Å; D545-R568 PolarHBondContact OD1-NH2 3.06Å; D545-R601 PolarHBondContact O-NH1 3.4Å; D545-C602 WeakPolarHBondContact CA-O 3.46Å; D545-C602 PolarHBondContact N-O 2.92Å
546	R	95.8	Very high	93.7	Very high	49 Å²	49	68.3 Å²	68.3	19%	0.185	36%	0.36	C	S	.	.			trans	-67.1	140.7	171.5	-70.1	-82.8	-71.4	144.8	4	110	S123 R125 N128 T543 R544 M561 R601 C602	S123-R546 PolarHBondContact O-NH2 2.82Å; R125-R546 PolarHBondContact O-NH2 2.87Å; N128-R546 PolarHBondContact ND2-NH1 3.17Å; N128-R546 VanDerWaalsContact ND2-NH1 3.19Å; T543-R546 HydrophobicContact CG2-CG 4.38Å; T543-R546 VanDerWaalsContact O-CB 3.28Å; T543-R546 WeakPolarHBondContact O-CB 3.39Å; T543-R546 VanDerWaalsContact O-CG 3.29Å; T543-R546 WeakPolarHBondContact O-CG 3.32Å; T543-R546 PolarHBondContact O-N 2.03Å; R544-R546 PolarHBondContact O-N 3.3Å; R546-M561 HydrophobicContact CB-CG 4.07Å; R546-M561 HydrophobicContact CB-SD 4.32Å; R546-R601 CarbonylContact O-C 3.57Å; R546-R601 VanDerWaalsContact O-CA 3.32Å; R546-R601 WeakPolarHBondContact O-CA 3.48Å; R546-C602 PolarHBondContact O-N 2.77Å; R546-C602 PolarHBondContact O-SG 2.82Å
547	I	95.1	Very high	93.9	Very high	97 Å²	97	64.8 Å²	64.8	50%	0.497	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	137	171.6	-61.4	170.4	0	0	0	108.7	Q600 R601	I547-Q600 WeakPolarHBondContact CA-O 3.44Å; I547-R601 HydrophobicContact CG1-CG 4.38Å
548	C	95.8	Very high	94.1	Very high	6 Å²	6	58.2 Å²	58.2	4%	0.041	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	171.1	173.6	66	0	0	0	0	110.4	S556 C558 M561 C562 Q600	C548-S556 WeakPolarHBondContact CA-O 2.99Å; C548-S556 WeakPolarHBondContact CB-O 3.49Å; C548-C558 HydrophobicContact CB-CB 3.81Å; C548-C558 WeakPolarHBondContact CB-SG 3.4Å; C548-C558 WeakPolarHBondContact SG-CA 3.03Å; C548-C558 WeakPolarHBondContact SG-CB 3.37Å; C548-C558 CovalentContact SG-SG 2.04Å; C548-C558 PolarHBondContact SG-SG 3.01Å; C548-M561 HydrophobicContact CB-CB 4.02Å; C548-M561 HydrophobicContact CB-CG 4.29Å; C548-C562 VanDerWaalsContact SG-SG 3.63Å; C548-Q600 PolarHBondContact N-O 2.89Å; C548-Q600 PolarHBondContact O-OE1 3.06Å; C548-Q600 VanDerWaalsContact SG-CB 3.55Å
549	T	94.6	Very high	94.2	Very high	29 Å²	29	59.7 Å²	59.7	18%	0.178	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-128.5	156.2	177.5	179.5	0	0	0	0	110.7	K551 D552 S556 N557 C558	T549-K551 WeakPolarHBondContact OG1-CB 3.32Å; T549-K551 PolarHBondContact OG1-N 3.42Å; T549-K551 VanDerWaalsContact OG1-N 3.09Å; T549-D552 VanDerWaalsContact CG2-CG 3.48Å; T549-D552 WeakPolarHBondContact CG2-OD2 3.28Å; T549-S556 PolarHBondContact N-O 3.11Å; T549-N557 CarbonylContact O-C 3.45Å; T549-N557 VanDerWaalsContact O-CA 3.22Å; T549-N557 WeakPolarHBondContact O-CA 3.35Å; T549-C558 PolarHBondContact O-N 3.32Å; T549-C558 PolarHBondContact O-SG 3.02Å
550	L	93.7	Very high	94.3	Very high	82 Å²	82	62.3 Å²	62.3	43%	0.429	33%	0.333	S	S	.	.	S	Bend	trans	-104.7	-3.8	171.2	-60.3	172.3	0	0	0	112.2	C558 Y567 Q600	L550-C558 HydrophobicContact CD2-CB 3.88Å; L550-Y567 HydrophobicContact CD1-CE2 3.94Å; L550-Y567 WeakPolarHBondContact CD1-OH 3.17Å; L550-Y567 HydrophobicContact CD2-CE1 3.78Å; L550-Y567 HydrophobicContact CD2-CE2 4.43Å; L550-Q600 HydrophobicContact CD1-CG 4.24Å; L550-Q600 HydrophobicContact CG-CG 4.32Å
551	K	91.1	Very high	94.3	Very high	202 Å²	202	62.3 Å²	62.3	88%	0.878	33%	0.333	S	S	*	.	S	Bend	trans	-78.3	-23.3	-174	-61	-176	178.5	-175.2	0	113.8	T549	T549-K551 WeakPolarHBondContact OG1-CB 3.32Å; T549-K551 PolarHBondContact OG1-N 3.42Å; T549-K551 VanDerWaalsContact OG1-N 3.09Å
552	D	87.2	Confident	94.5	Very high	57 Å²	57	57.5 Å²	57.5	31%	0.305	30%	0.304	S	S	.	.			trans	-121.3	162	-177.6	65.4	44.6	0	0	0	111	T549 G554 S556 N557	T549-D552 VanDerWaalsContact CG2-CG 3.48Å; T549-D552 WeakPolarHBondContact CG2-OD2 3.28Å; D552-G554 VanDerWaalsContact C-N 3.33Å; D552-G554 PolarHBondContact OD1-N 3.18Å; D552-G554 VanDerWaalsContact OD1-N 3.14Å; D552-S556 VanDerWaalsContact CG-OG 3.27Å; D552-S556 PolarHBondContact OD1-OG 3Å; D552-S556 PolarHBondContact OD2-OG 2.91Å; D552-N557 WeakPolarHBondContact O-CB 2.94Å; D552-N557 PolarHBondContact O-ND2 3.33Å; D552-N557 PolarHBondContact OD1-N 3.45Å; D552-N557 VanDerWaalsContact OD1-N 3.15Å
553	T	89.5	Confident	94.5	Very high	136 Å²	136	58.9 Å²	58.9	83%	0.834	31%	0.312	S	S	*	.	S	Bend	trans	-97.4	12.2	170.4	53.3	0	0	0	0	111.9	N560	T553-N560 PolarHBondContact O-ND2 3.18Å
554	G	90.4	Very high	94.4	Very high	32 Å²	32	61.9 Å²	61.9	33%	0.33	34%	0.343	S	S	.	.	S	Bend	trans	-81.8	-165.6	-170.9	0	0	0	0	0	113.6	D552 S556 N557 N560	D552-G554 VanDerWaalsContact C-N 3.33Å; D552-G554 PolarHBondContact OD1-N 3.18Å; D552-G554 VanDerWaalsContact OD1-N 3.14Å; G554-S556 PolarHBondContact O-N 2.85Å; G554-N557 VanDerWaalsContact O-CB 3.25Å; G554-N557 WeakPolarHBondContact O-CB 3.4Å; G554-N557 PolarHBondContact O-N 2.86Å; G554-N557 VanDerWaalsContact O-N 3.13Å; G554-N560 PolarHBondContact O-ND2 2.92Å
555	T	92.9	Very high	94.3	Very high	55 Å²	55	57.3 Å²	57.3	34%	0.337	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-22.4	178.4	54.5	0	0	0	0	113.2	D124	D124-T555 CarbonylContact O-C 3.55Å; D124-T555 VanDerWaalsContact O-CB 3.23Å; D124-T555 WeakPolarHBondContact O-CB 3.38Å; D124-T555 PolarHBondContact O-OG1 3.48Å
556	S	93.9	Very high	94.3	Very high	22 Å²	22	55 Å²	55	15%	0.154	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-15.1	174.8	34.9	0	0	0	0	113.8	D124 C548 T549 D552 G554 C558	D124-S556 PolarHBondContact O-N 2.72Å; C548-S556 WeakPolarHBondContact CA-O 2.99Å; C548-S556 WeakPolarHBondContact CB-O 3.49Å; T549-S556 PolarHBondContact N-O 3.11Å; D552-S556 VanDerWaalsContact CG-OG 3.27Å; D552-S556 PolarHBondContact OD1-OG 3Å; D552-S556 PolarHBondContact OD2-OG 2.91Å; G554-S556 PolarHBondContact O-N 2.85Å; S556-C558 PolarHBondContact O-N 2.61Å
557	N	96.5	Very high	94.4	Very high	22 Å²	22	57.2 Å²	57.2	12%	0.118	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-56.5	138.7	176.9	-177.7	-80.1	0	0	0	110.8	T549 D552 G554 V559 N560 M561	T549-N557 CarbonylContact O-C 3.45Å; T549-N557 VanDerWaalsContact O-CA 3.22Å; T549-N557 WeakPolarHBondContact O-CA 3.35Å; D552-N557 WeakPolarHBondContact O-CB 2.94Å; D552-N557 PolarHBondContact O-ND2 3.33Å; D552-N557 PolarHBondContact OD1-N 3.45Å; D552-N557 VanDerWaalsContact OD1-N 3.15Å; G554-N557 VanDerWaalsContact O-CB 3.25Å; G554-N557 WeakPolarHBondContact O-CB 3.4Å; G554-N557 PolarHBondContact O-N 2.86Å; G554-N557 VanDerWaalsContact O-N 3.13Å; N557-V559 VanDerWaalsContact C-N 3.26Å; N557-V559 PolarHBondContact O-N 3.22Å; N557-V559 VanDerWaalsContact OD1-CB 3.24Å; N557-V559 WeakPolarHBondContact OD1-CB 3.38Å; N557-V559 WeakPolarHBondContact OD1-CG2 3.43Å; N557-V559 PolarHBondContact OD1-N 3.07Å; N557-N560 PolarHBondContact O-N 3.46Å; N557-M561 PolarHBondContact O-N 3.22Å
558	C	96.5	Very high	94.4	Very high	2 Å²	2	58.6 Å²	58.6	1%	0.014	33%	0.328	C	S	.	.	H	α-helix	trans	-56.8	-34.8	-178.3	-66.3	0	0	0	0	114.2	C548 T549 L550 S556 N560 C562 Y567	C548-C558 HydrophobicContact CB-CB 3.81Å; C548-C558 WeakPolarHBondContact CB-SG 3.4Å; C548-C558 WeakPolarHBondContact SG-CA 3.03Å; C548-C558 WeakPolarHBondContact SG-CB 3.37Å; C548-C558 CovalentContact SG-SG 2.04Å; C548-C558 PolarHBondContact SG-SG 3.01Å; T549-C558 PolarHBondContact O-N 3.32Å; T549-C558 PolarHBondContact O-SG 3.02Å; L550-C558 HydrophobicContact CD2-CB 3.88Å; S556-C558 PolarHBondContact O-N 2.61Å; C558-N560 VanDerWaalsContact C-N 3.3Å; C558-N560 PolarHBondContact O-N 2.89Å; C558-C562 WeakPolarHBondContact O-CB 3.46Å; C558-C562 PolarHBondContact O-N 3.4Å; C558-C562 PolarHBondContact O-SG 2.9Å; C558-Y567 HydrophobicContact CB-CD1 3.53Å; C558-Y567 HydrophobicContact CB-CE1 4.07Å; C558-Y567 HydrophobicContact CB-CG 4.05Å
559	V	95.3	Very high	94.4	Very high	101 Å²	101	63.1 Å²	63.1	61%	0.612	35%	0.352	S	S	*	.	H	α-helix	trans	-61.1	-42	174.7	-178.3	0	0	0	0	110.6	N557 C563 G564	N557-V559 VanDerWaalsContact C-N 3.26Å; N557-V559 PolarHBondContact O-N 3.22Å; N557-V559 VanDerWaalsContact OD1-CB 3.24Å; N557-V559 WeakPolarHBondContact OD1-CB 3.38Å; N557-V559 WeakPolarHBondContact OD1-CG2 3.43Å; N557-V559 PolarHBondContact OD1-N 3.07Å; V559-C563 PolarHBondContact O-N 3.29Å; V559-G564 PolarHBondContact O-N 2.79Å
560	N	95.2	Very high	94.4	Very high	66 Å²	66	63.9 Å²	63.9	35%	0.353	36%	0.357	S	S	.	.	H	α-helix	trans	-80.1	-50	-177.1	-69.8	-31.8	0	0	0	113.1	R126 T553 G554 N557 C558 C563	R126-N560 VanDerWaalsContact CZ-O 3.31Å; R126-N560 PolarHBondContact NE-O 3.16Å; R126-N560 PolarHBondContact NH2-O 3.02Å; T553-N560 PolarHBondContact O-ND2 3.18Å; G554-N560 PolarHBondContact O-ND2 2.92Å; N557-N560 PolarHBondContact O-N 3.46Å; C558-N560 VanDerWaalsContact C-N 3.3Å; C558-N560 PolarHBondContact O-N 2.89Å; N560-C563 PolarHBondContact O-N 2.87Å
561	M	96.5	Very high	94.4	Very high	1 Å²	1	64 Å²	64	1%	0.005	36%	0.36	C	S	.	.	H	α-helix	trans	-65.2	-40.9	-178.7	-174.9	63.7	67	0	0	111.2	D124 R126 T543 R546 C548 N557 C563	D124-M561 VanDerWaalsContact C-CE 3.49Å; D124-M561 VanDerWaalsContact O-CE 3.31Å; D124-M561 WeakPolarHBondContact O-CE 3.42Å; R126-M561 HydrophobicContact CG-SD 4.42Å; T543-M561 WeakPolarHBondContact CB-O 3.05Å; T543-M561 WeakPolarHBondContact CG2-O 3.4Å; T543-M561 HydrophobicContact CG2-SD 4.29Å; T543-M561 PolarHBondContact OG1-O 2.83Å; R546-M561 HydrophobicContact CB-CG 4.07Å; R546-M561 HydrophobicContact CB-SD 4.32Å; C548-M561 HydrophobicContact CB-CB 4.02Å; C548-M561 HydrophobicContact CB-CG 4.29Å; N557-M561 PolarHBondContact O-N 3.22Å; M561-C563 VanDerWaalsContact C-N 3.34Å
562	C	97.3	Very high	94.4	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	0.7	-175	-47.4	0	0	0	0	113.9	C548 C558 G564 R565 G566 C602	C548-C562 VanDerWaalsContact SG-SG 3.63Å; C558-C562 WeakPolarHBondContact O-CB 3.46Å; C558-C562 PolarHBondContact O-N 3.4Å; C558-C562 PolarHBondContact O-SG 2.9Å; C562-G564 VanDerWaalsContact C-N 3.29Å; C562-G564 PolarHBondContact O-N 2.91Å; C562-R565 WeakPolarHBondContact O-CB 3Å; C562-R565 PolarHBondContact O-N 2.9Å; C562-R565 PolarHBondContact O-NE 3.07Å; C562-G566 WeakPolarHBondContact CB-O 3Å; C562-C602 WeakPolarHBondContact CA-SG 3.29Å; C562-C602 HydrophobicContact CB-CB 3.52Å; C562-C602 WeakPolarHBondContact CB-SG 3.18Å; C562-C602 PolarHBondContact N-SG 2.97Å; C562-C602 WeakPolarHBondContact SG-CA 3.05Å; C562-C602 WeakPolarHBondContact SG-CB 3.18Å; C562-C602 CovalentContact SG-SG 2.04Å; C562-C602 PolarHBondContact SG-SG 3.3Å
563	C	96.7	Very high	94.7	Very high	37 Å²	37	65.9 Å²	65.9	25%	0.25	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	41.4	178.3	-50.9	0	0	0	0	113	R126 C532 V559 N560 M561 R565	R126-C563 VanDerWaalsContact CZ-SG 3.51Å; R126-C563 PolarHBondContact NE-SG 3.4Å; R126-C563 VanDerWaalsContact NE-SG 3.42Å; C532-C563 WeakPolarHBondContact CA-SG 3.5Å; C532-C563 HydrophobicContact CB-CB 3.79Å; C532-C563 WeakPolarHBondContact CB-SG 2.96Å; C532-C563 WeakPolarHBondContact SG-CB 3.05Å; C532-C563 CovalentContact SG-SG 2.04Å; C532-C563 PolarHBondContact SG-SG 2.03Å; V559-C563 PolarHBondContact O-N 3.29Å; N560-C563 PolarHBondContact O-N 2.87Å; M561-C563 VanDerWaalsContact C-N 3.34Å; C563-R565 PolarHBondContact O-N 2Å
564	G	95.3	Very high	94.9	Very high	63 Å²	63	62.8 Å²	62.8	65%	0.649	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.3	0	179.6	0	0	0	0	0	116.3	V559 C562 G566	V559-G564 PolarHBondContact O-N 2.79Å; C562-G564 VanDerWaalsContact C-N 3.29Å; C562-G564 PolarHBondContact O-N 2.91Å; G564-G566 PolarHBondContact O-N 3.18Å
565	R	95.8	Very high	95.1	Very high	67 Å²	67	66.3 Å²	66.3	25%	0.253	35%	0.347	S	S	.	.	S	Bend	trans	-70.5	-11.7	-179.6	-66.4	-176.8	-66.2	-141.8	-3.1	114.7	C532 N533 T543 C562 C563 L603	C532-R565 PolarHBondContact O-NH1 2.88Å; C532-R565 PolarHBondContact O-NH2 2.04Å; N533-R565 PolarHBondContact OD1-NH1 2.7Å; T543-R565 PolarHBondContact OG1-NH2 3.27Å; C562-R565 WeakPolarHBondContact O-CB 3Å; C562-R565 PolarHBondContact O-N 2.9Å; C562-R565 PolarHBondContact O-NE 3.07Å; C563-R565 PolarHBondContact O-N 2Å; R565-L603 PolarHBondContact NE-O 3.15Å; R565-L603 VanDerWaalsContact NE-O 3.14Å; R565-L603 WeakPolarHBondContact O-CD1 3.47Å
566	G	95.8	Very high	95.2	Very high	29 Å²	29	66.4 Å²	66.4	30%	0.299	35%	0.347	S	S	.	.			trans	87.7	-178.9	-169.1	0	0	0	0	0	113	C562 G564 L603	C562-G566 WeakPolarHBondContact CB-O 3Å; G564-G566 PolarHBondContact O-N 3.18Å; G566-L603 PolarHBondContact O-N 2.73Å
567	Y	96.9	Very high	95.2	Very high	96 Å²	96	70.6 Å²	70.6	38%	0.376	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	154.7	-178.7	59	-86.5	0	0	0	110.3	L550 C558 Q600 R601	L550-Y567 HydrophobicContact CD1-CE2 3.94Å; L550-Y567 WeakPolarHBondContact CD1-OH 3.17Å; L550-Y567 HydrophobicContact CD2-CE1 3.78Å; L550-Y567 HydrophobicContact CD2-CE2 4.43Å; C558-Y567 HydrophobicContact CB-CD1 3.53Å; C558-Y567 HydrophobicContact CB-CE1 4.07Å; C558-Y567 HydrophobicContact CB-CG 4.05Å; Y567-Q600 HydrophobicContact CD2-CB 3.84Å; Y567-Q600 HydrophobicContact CD2-CG 3.71Å; Y567-Q600 HydrophobicContact CE2-CG 3.91Å; Y567-Q600 HydrophobicContact CG-CB 4.33Å; Y567-R601 CarbonylContact C-O 3.47Å; Y567-R601 WeakPolarHBondContact CA-O 3.37Å; Y567-R601 WeakPolarHBondContact CB-O 3.11Å
568	R	96.4	Very high	95.2	Very high	125 Å²	125	70.5 Å²	70.5	47%	0.472	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	143.8	169	59.2	178.1	177.1	168.8	-1.7	110.4	D545 V570 R601 L603	D545-R568 IonicContact OD1-CZ 3.22Å; D545-R568 IonicContact OD1-NE 2.75Å; D545-R568 IonicContact OD1-NH2 3.09Å; D545-R568 PolarHBondContact OD1-NH2 3.06Å; R568-V570 HydrophobicContact CG-CG2 4.24Å; R568-R601 HydrophobicContact CG-CB 4.25Å; R568-R601 PolarHBondContact N-O 3.33Å; R568-R601 PolarHBondContact O-N 3.28Å; R568-L603 HydrophobicContact CB-CD2 3.94Å; R568-L603 HydrophobicContact CG-CD2 4.12Å
569	N	95.5	Very high	95.1	Very high	101 Å²	101	75.9 Å²	75.9	54%	0.54	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	128.9	171.2	-67.2	-21.3	0	0	0	109.2	V598	N569-V598 HydrophobicContact CB-CG1 3.96Å
570	V	93.8	Very high	95.2	Very high	46 Å²	46	74.4 Å²	74.4	28%	0.279	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	109.3	176.6	-178.6	0	0	0	0	107.9	R568 T599 R601	R568-V570 HydrophobicContact CG-CG2 4.24Å; V570-T599 PolarHBondContact N-O 3.44Å; V570-T599 PolarHBondContact O-N 3.22Å; V570-T599 PolarHBondContact O-OG1 2.77Å; V570-R601 HydrophobicContact CG2-CB 4.45Å; V570-R601 HydrophobicContact CG2-CG 4.21Å
571	T	93.6	Very high	95.2	Very high	83 Å²	83	77.2 Å²	77.2	51%	0.509	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	126.2	174.3	-51.3	0	0	0	0	109.3	E596 T597 V598	T571-E596 HydrophobicContact CG2-CB 4.13Å; T571-E596 HydrophobicContact CG2-CG 4.4Å; T571-T597 CarbonylContact C-O 3.4Å; T571-T597 WeakPolarHBondContact CA-O 3.2Å; T571-V598 HydrophobicContact CG2-CG2 4.44Å
572	K	92.2	Very high	95.1	Very high	113 Å²	113	82.9 Å²	82.9	49%	0.491	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	127.1	176.1	-173.6	-177.4	174.8	-159.4	0	109	E574 T597	K572-E574 HydrophobicContact CD-CG 3.96Å; K572-E574 WeakPolarHBondContact CD-OE1 3.08Å; K572-E574 WeakPolarHBondContact CE-OE1 3.38Å; K572-E574 HydrophobicContact CG-CG 4.01Å; K572-E574 IonicContact NZ-OE1 2.91Å; K572-E574 PolarHBondContact NZ-OE1 2.87Å; K572-T597 PolarHBondContact N-O 3.02Å; K572-T597 PolarHBondContact O-N 3.25Å; K572-T597 PolarHBondContact O-OG1 3.36Å; K572-T597 VanDerWaalsContact O-OG1 3.12Å
573	R	93.6	Very high	94.8	Very high	186 Å²	186	84.2 Å²	84.2	70%	0.702	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.7	122	167.9	-75.5	174.7	-178.9	173.8	1.1	108.8	E596	R573-E596 HydrophobicContact CG-CG 3.7Å; R573-E596 IonicContact CZ-OE1 2.71Å; R573-E596 VanDerWaalsContact CZ-OE1 3.22Å; R573-E596 IonicContact NE-OE1 3.62Å; R573-E596 PolarHBondContact NE-OE1 2.83Å; R573-E596 IonicContact NH2-OE1 3.79Å; R573-E596 PolarHBondContact NH2-OE1 3.3Å
574	E	92.4	Very high	94.5	Very high	72 Å²	72	90.3 Å²	90.3	34%	0.336	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	133.9	174.5	-61.7	-167.6	153.9	0	0	109.1	K572 V576 V595	K572-E574 HydrophobicContact CD-CG 3.96Å; K572-E574 WeakPolarHBondContact CD-OE1 3.08Å; K572-E574 WeakPolarHBondContact CE-OE1 3.38Å; K572-E574 HydrophobicContact CG-CG 4.01Å; K572-E574 IonicContact NZ-OE1 2.91Å; K572-E574 PolarHBondContact NZ-OE1 2.87Å; E574-V576 HydrophobicContact CB-CG1 4.43Å; E574-V595 PolarHBondContact N-O 2.98Å; E574-V595 PolarHBondContact O-N 2.88Å
575	I	95	Very high	94.4	Very high	106 Å²	106	90.2 Å²	90.2	54%	0.544	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	116.9	171.3	-60.1	173.8	0	0	0	106.6	E592 C593 N594	I575-E592 HydrophobicContact CG2-CB 3.8Å; I575-E592 HydrophobicContact CG2-CG 4.09Å; I575-C593 WeakPolarHBondContact CA-O 3.43Å; I575-N594 WeakPolarHBondContact CG1-OD1 3.07Å
576	V	94.6	Very high	94.2	Very high	56 Å²	56	96 Å²	96	34%	0.339	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	149.2	178	-58.3	0	0	0	0	109.8	E574 C578 C593 V595	E574-V576 HydrophobicContact CB-CG1 4.43Å; V576-C578 PolarHBondContact O-N 3.39Å; V576-C593 HydrophobicContact CG2-CB 4.39Å; V576-C593 PolarHBondContact N-O 3.2Å; V576-C593 PolarHBondContact O-N 3.45Å; V576-V595 HydrophobicContact CG2-CB 4.14Å; V576-V595 HydrophobicContact CG2-CG2 3.44Å; V576-V595 VanDerWaalsContact CG2-CG2 3.44Å
577	Q	95.1	Very high	94.1	Very high	110 Å²	110	101.9 Å²	101.9	51%	0.514	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	123.2	171.8	-62.1	-66.2	-48.6	0	0	108.6	C590	Q577-C590 HydrophobicContact CB-CB 3.9Å; Q577-C590 VanDerWaalsContact OE1-CB 3.22Å
578	C	95.3	Very high	94	Very high	21 Å²	21	101.9 Å²	101.9	14%	0.142	52%	0.516	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	172.3	-177.3	66.6	0	0	0	0	110.3	V576 C580 C590 D591 C593	V576-C578 PolarHBondContact O-N 3.39Å; C578-C580 PolarHBondContact O-N 2.88Å; C578-C590 WeakPolarHBondContact O-CB 3.2Å; C578-D591 PolarHBondContact N-O 3.28Å; C578-D591 PolarHBondContact O-N 3.45Å; C578-D591 PolarHBondContact SG-O 3.48Å; C578-C593 HydrophobicContact CB-CB 3.56Å; C578-C593 WeakPolarHBondContact CB-SG 3.46Å; C578-C593 WeakPolarHBondContact SG-CB 3.43Å; C578-C593 PolarHBondContact SG-N 2.79Å; C578-C593 VanDerWaalsContact SG-N 3.4Å; C578-C593 CovalentContact SG-SG 2Å; C578-C593 PolarHBondContact SG-SG 2.79Å
579	N	95	Very high	93.9	Very high	114 Å²	114	100.9 Å²	100.9	61%	0.61	52%	0.517	S	S	*	.	E	Extended strand (participates in β ladder)	trans	49.7	34.5	175.8	-57.3	-27.3	0	0	0	113.8	R581 D591	N579-R581 PolarHBondContact O-N 3.31Å; N579-D591 HydrophobicContact CB-CB 4.4Å; N579-D591 WeakPolarHBondContact CB-OD2 3.16Å
580	C	96.4	Very high	94	Very high	71 Å²	71	97.6 Å²	97.6	48%	0.48	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	124	-177.7	-64.4	0	0	0	0	110.9	C578 V588 Q589 C590	C578-C580 PolarHBondContact O-N 2.88Å; C580-V588 HydrophobicContact CB-CG1 3.99Å; C580-Q589 WeakPolarHBondContact CA-O 3.37Å; C580-C590 VanDerWaalsContact CA-SG 3.59Å; C580-C590 HydrophobicContact CB-CB 4.04Å; C580-C590 WeakPolarHBondContact CB-SG 3.31Å; C580-C590 WeakPolarHBondContact SG-CB 3.05Å; C580-C590 CovalentContact SG-SG 2.03Å; C580-C590 PolarHBondContact SG-SG 2.86Å
581	R	95.3	Very high	94.1	Very high	124 Å²	124	98.1 Å²	98.1	47%	0.468	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	150.5	178.6	58.9	-176.4	176.3	-89	-0.8	111	N579 A583 Q589 D591	N579-R581 PolarHBondContact O-N 3.31Å; R581-A583 PolarHBondContact O-N 3.25Å; R581-Q589 PolarHBondContact N-O 3.29Å; R581-Q589 PolarHBondContact O-N 2.84Å; R581-D591 IonicContact CZ-OD1 3.91Å; R581-D591 IonicContact NH1-OD1 3.25Å; R581-D591 PolarHBondContact NH1-OD1 3.1Å; R581-D591 IonicContact NH1-OD2 3.36Å; R581-D591 PolarHBondContact NH1-OD2 3.08Å; R581-D591 IonicContact NH2-OD1 3.69Å
582	M	95.6	Very high	94.2	Very high	120 Å²	120	100.8 Å²	100.8	59%	0.591	51%	0.509	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.7	111.1	172	-167.1	63.9	71.9	0	0	108.8	F586 V588	M582-F586 VanDerWaalsContact SD-CA 3.51Å; M582-F586 HydrophobicContact SD-CB 4.27Å; M582-V588 HydrophobicContact CE-CG2 4.04Å; M582-V588 HydrophobicContact SD-CG2 4.25Å
583	A	91	Very high	94.4	Very high	28 Å²	28	97.2 Å²	97.2	23%	0.231	50%	0.498	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	171.8	173.9	0	0	0	0	0	111	R581 G585 F586 K587 Q589	R581-A583 PolarHBondContact O-N 3.25Å; A583-G585 PolarHBondContact O-N 3.2Å; A583-F586 PolarHBondContact O-N 2.87Å; A583-K587 WeakPolarHBondContact CB-O 3.43Å; A583-K587 PolarHBondContact N-O 3.09Å; A583-Q589 HydrophobicContact CB-CB 4.11Å
584	N	90.5	Very high	94.5	Very high	165 Å²	165	94.3 Å²	94.3	88%	0.882	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	139.3	175.9	-70.3	-12.8	0	0	0	111.2
585	G	92.3	Very high	94.6	Very high	62 Å²	62	93.8 Å²	93.8	64%	0.639	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	24.2	-175.5	0	0	0	0	0	114.5	A583 K587	A583-G585 PolarHBondContact O-N 3.2Å; G585-K587 PolarHBondContact O-N 3.01Å
586	F	91.6	Very high	94.5	Very high	187 Å²	187	94 Å²	94	82%	0.82	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	32.1	177.6	-56.3	-81.9	0	0	0	113.9	M582 A583	M582-F586 VanDerWaalsContact SD-CA 3.51Å; M582-F586 HydrophobicContact SD-CB 4.27Å; A583-F586 PolarHBondContact O-N 2.87Å
587	K	93.3	Very high	94.4	Very high	153 Å²	153	93.4 Å²	93.4	67%	0.665	49%	0.493	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.3	128.1	175.6	-68.2	-175.5	179.8	179.7	0	109.3	A583 G585 Q589	A583-K587 WeakPolarHBondContact CB-O 3.43Å; A583-K587 PolarHBondContact N-O 3.09Å; G585-K587 PolarHBondContact O-N 3.01Å; K587-Q589 PolarHBondContact O-N 2.83Å
588	V	94.6	Very high	94.2	Very high	96 Å²	96	91.9 Å²	91.9	58%	0.582	49%	0.491	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.4	120.4	172	-178.3	0	0	0	0	108.3	C580 M582	C580-V588 HydrophobicContact CB-CG1 3.99Å; M582-V588 HydrophobicContact CE-CG2 4.04Å; M582-V588 HydrophobicContact SD-CG2 4.25Å
589	Q	95.6	Very high	94.1	Very high	105 Å²	105	92.7 Å²	92.7	49%	0.491	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	126.3	173.5	-173.6	175	15.3	0	0	108.5	C580 R581 A583 K587	C580-Q589 WeakPolarHBondContact CA-O 3.37Å; R581-Q589 PolarHBondContact N-O 3.29Å; R581-Q589 PolarHBondContact O-N 2.84Å; A583-Q589 HydrophobicContact CB-CB 4.11Å; K587-Q589 PolarHBondContact O-N 2.83Å
590	C	97.1	Very high	94.2	Very high	32 Å²	32	89.1 Å²	89.1	22%	0.216	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	154.1	179.8	-54	0	0	0	0	109.7	Q577 C578 C580	Q577-C590 HydrophobicContact CB-CB 3.9Å; Q577-C590 VanDerWaalsContact OE1-CB 3.22Å; C578-C590 WeakPolarHBondContact O-CB 3.2Å; C580-C590 VanDerWaalsContact CA-SG 3.59Å; C580-C590 HydrophobicContact CB-CB 4.04Å; C580-C590 WeakPolarHBondContact CB-SG 3.31Å; C580-C590 WeakPolarHBondContact SG-CB 3.05Å; C580-C590 CovalentContact SG-SG 2.03Å; C580-C590 PolarHBondContact SG-SG 2.86Å
591	D	96.3	Very high	94.2	Very high	57 Å²	57	89.8 Å²	89.8	31%	0.305	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	157.7	171.2	-53	-34.5	0	0	0	109	C578 N579 R581	C578-D591 PolarHBondContact N-O 3.28Å; C578-D591 PolarHBondContact O-N 3.45Å; C578-D591 PolarHBondContact SG-O 3.48Å; N579-D591 HydrophobicContact CB-CB 4.4Å; N579-D591 WeakPolarHBondContact CB-OD2 3.16Å; R581-D591 IonicContact CZ-OD1 3.91Å; R581-D591 IonicContact NH1-OD1 3.25Å; R581-D591 PolarHBondContact NH1-OD1 3.1Å; R581-D591 IonicContact NH1-OD2 3.36Å; R581-D591 PolarHBondContact NH1-OD2 3.08Å; R581-D591 IonicContact NH2-OD1 3.69Å
592	E	96.2	Very high	94.3	Very high	139 Å²	139	83.9 Å²	83.9	65%	0.65	45%	0.445	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92	112.7	174.8	-70.9	-169.1	161.2	0	0	110.4	I575	I575-E592 HydrophobicContact CG2-CB 3.8Å; I575-E592 HydrophobicContact CG2-CG 4.09Å
593	C	96.5	Very high	94.3	Very high	38 Å²	38	83 Å²	83	26%	0.257	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	134.8	175.5	-75.2	0	0	0	0	111.2	I575 V576 C578 V595	I575-C593 WeakPolarHBondContact CA-O 3.43Å; V576-C593 HydrophobicContact CG2-CB 4.39Å; V576-C593 PolarHBondContact N-O 3.2Å; V576-C593 PolarHBondContact O-N 3.45Å; C578-C593 HydrophobicContact CB-CB 3.56Å; C578-C593 WeakPolarHBondContact CB-SG 3.46Å; C578-C593 WeakPolarHBondContact SG-CB 3.43Å; C578-C593 PolarHBondContact SG-N 2.79Å; C578-C593 VanDerWaalsContact SG-N 3.4Å; C578-C593 CovalentContact SG-SG 2Å; C578-C593 PolarHBondContact SG-SG 2.79Å; C593-V595 HydrophobicContact CB-CG2 4.43Å; C593-V595 PolarHBondContact O-N 2.03Å
594	N	95	Very high	94.5	Very high	125 Å²	125	85.8 Å²	85.8	67%	0.668	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.4	114.3	165.3	-70.2	-55.3	0	0	0	109.2	I575	I575-N594 WeakPolarHBondContact CG1-OD1 3.07Å
595	V	95	Very high	94.7	Very high	60 Å²	60	81.6 Å²	81.6	36%	0.364	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	127.1	174.9	176.2	0	0	0	0	109.2	E574 V576 C593 T597	E574-V595 PolarHBondContact N-O 2.98Å; E574-V595 PolarHBondContact O-N 2.88Å; V576-V595 HydrophobicContact CG2-CB 4.14Å; V576-V595 HydrophobicContact CG2-CG2 3.44Å; V576-V595 VanDerWaalsContact CG2-CG2 3.44Å; C593-V595 HydrophobicContact CB-CG2 4.43Å; C593-V595 PolarHBondContact O-N 2.03Å; V595-T597 HydrophobicContact CG1-CG2 4.11Å
596	E	93.4	Very high	94.8	Very high	112 Å²	112	82.7 Å²	82.7	52%	0.523	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	117.8	171.3	-72.8	-171.2	171.3	0	0	109.6	T571 R573	T571-E596 HydrophobicContact CG2-CB 4.13Å; T571-E596 HydrophobicContact CG2-CG 4.4Å; R573-E596 HydrophobicContact CG-CG 3.7Å; R573-E596 IonicContact CZ-OE1 2.71Å; R573-E596 VanDerWaalsContact CZ-OE1 3.22Å; R573-E596 IonicContact NE-OE1 3.62Å; R573-E596 PolarHBondContact NE-OE1 2.83Å; R573-E596 IonicContact NH2-OE1 3.79Å; R573-E596 PolarHBondContact NH2-OE1 3.3Å
597	T	91.5	Very high	95	Very high	42 Å²	42	76.6 Å²	76.6	26%	0.258	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	125.9	177.1	57.1	0	0	0	0	109.8	T571 K572 V595	T571-T597 CarbonylContact C-O 3.4Å; T571-T597 WeakPolarHBondContact CA-O 3.2Å; K572-T597 PolarHBondContact N-O 3.02Å; K572-T597 PolarHBondContact O-N 3.25Å; K572-T597 PolarHBondContact O-OG1 3.36Å; K572-T597 VanDerWaalsContact O-OG1 3.12Å; V595-T597 HydrophobicContact CG1-CG2 4.11Å
598	V	91.4	Very high	95.1	Very high	78 Å²	78	71.8 Å²	71.8	47%	0.473	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	119.3	176.8	-176.7	0	0	0	0	108.9	N569 T571	N569-V598 HydrophobicContact CB-CG1 3.96Å; T571-V598 HydrophobicContact CG2-CG2 4.44Å
599	T	93.5	Very high	95.1	Very high	38 Å²	38	70.2 Å²	70.2	23%	0.233	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	138.3	178	59.5	0	0	0	0	110.7	V570	V570-T599 PolarHBondContact N-O 3.44Å; V570-T599 PolarHBondContact O-N 3.22Å; V570-T599 PolarHBondContact O-OG1 2.77Å
600	Q	95.7	Very high	95.1	Very high	39 Å²	39	67.7 Å²	67.7	18%	0.182	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	131.7	174.8	-60.4	75.9	25.6	0	0	109.8	I547 C548 L550 Y567	I547-Q600 WeakPolarHBondContact CA-O 3.44Å; C548-Q600 PolarHBondContact N-O 2.89Å; C548-Q600 PolarHBondContact O-OE1 3.06Å; C548-Q600 VanDerWaalsContact SG-CB 3.55Å; L550-Q600 HydrophobicContact CD1-CG 4.24Å; L550-Q600 HydrophobicContact CG-CG 4.32Å; Y567-Q600 HydrophobicContact CD2-CB 3.84Å; Y567-Q600 HydrophobicContact CD2-CG 3.71Å; Y567-Q600 HydrophobicContact CE2-CG 3.91Å; Y567-Q600 HydrophobicContact CG-CB 4.33Å
601	R	96.6	Very high	95	Very high	86 Å²	86	70.5 Å²	70.5	33%	0.325	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	137.2	175.9	-68.1	-169.8	177.3	-131.2	4.4	111.6	D545 R546 I547 Y567 R568 V570	D545-R601 PolarHBondContact O-NH1 3.4Å; R546-R601 CarbonylContact O-C 3.57Å; R546-R601 VanDerWaalsContact O-CA 3.32Å; R546-R601 WeakPolarHBondContact O-CA 3.48Å; I547-R601 HydrophobicContact CG1-CG 4.38Å; Y567-R601 CarbonylContact C-O 3.47Å; Y567-R601 WeakPolarHBondContact CA-O 3.37Å; Y567-R601 WeakPolarHBondContact CB-O 3.11Å; R568-R601 HydrophobicContact CG-CB 4.25Å; R568-R601 PolarHBondContact N-O 3.33Å; R568-R601 PolarHBondContact O-N 3.28Å; V570-R601 HydrophobicContact CG2-CB 4.45Å; V570-R601 HydrophobicContact CG2-CG 4.21Å
602	C	97.3	Very high	94.8	Very high	0 Å²	0	71.6 Å²	71.6	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	139.8	178.4	-61	0	0	0	0	112.8	T543 D545 R546 C562	T543-C602 WeakPolarHBondContact O-CB 3.06Å; D545-C602 WeakPolarHBondContact CA-O 3.46Å; D545-C602 PolarHBondContact N-O 2.92Å; R546-C602 PolarHBondContact O-N 2.77Å; R546-C602 PolarHBondContact O-SG 2.82Å; C562-C602 WeakPolarHBondContact CA-SG 3.29Å; C562-C602 HydrophobicContact CB-CB 3.52Å; C562-C602 WeakPolarHBondContact CB-SG 3.18Å; C562-C602 PolarHBondContact N-SG 2.97Å; C562-C602 WeakPolarHBondContact SG-CA 3.05Å; C562-C602 WeakPolarHBondContact SG-CB 3.18Å; C562-C602 CovalentContact SG-SG 2.04Å; C562-C602 PolarHBondContact SG-SG 3.3Å
603	L	96.1	Very high	94.7	Very high	102 Å²	102	65.5 Å²	65.5	53%	0.534	35%	0.347	S	S	.	.			trans	-72.2	0	173	-63.4	178.3	0	0	0	112.8	R565 G566 R568	R565-L603 PolarHBondContact NE-O 3.15Å; R565-L603 VanDerWaalsContact NE-O 3.14Å; R565-L603 WeakPolarHBondContact O-CD1 3.47Å; G566-L603 PolarHBondContact O-N 2.73Å; R568-L603 HydrophobicContact CB-CD2 3.94Å; R568-L603 HydrophobicContact CG-CD2 4.12Å

Retrieved 603 of 603 residues in 847.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).